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(c1ccncc1)N1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 ZINC000306130167 203786984 /nfs/dbraw/zinc/78/69/84/203786984.db2.gz IYBSYHYDDYQIJC-LJQANCHMSA-N 0 0 350.447 3.194 40 0 FGABRN Cc1cc(C)c(Nc2cc(-c3ccccc3)nc(NCCCO)n2)c(C)c1 ZINC000328984449 203845624 /nfs/dbraw/zinc/84/56/24/203845624.db2.gz HMEMRWWLBQTRGV-UHFFFAOYSA-N 0 0 362.477 3.451 40 0 FGABRN COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1Br ZINC000223977968 203878401 /nfs/dbraw/zinc/87/84/01/203878401.db2.gz HHKKCUVQSOFIKF-UHFFFAOYSA-N 0 0 360.273 3.236 40 0 FGABRN Cn1c(-c2ccc(Br)cc2)cc2nc(=S)[nH]c(N)c2c1=O ZINC000001579590 204014162 /nfs/dbraw/zinc/01/41/62/204014162.db2.gz MQWDYCUDLMONAT-UHFFFAOYSA-N 0 0 363.240 3.003 40 0 FGABRN CCN(CC)c1ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc2c1 ZINC000001616709 204015331 /nfs/dbraw/zinc/01/53/31/204015331.db2.gz HNRYXYFZJWAWAJ-UHFFFAOYSA-N 0 0 357.431 3.472 40 0 FGABRN C[C@@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O ZINC000004155130 204124386 /nfs/dbraw/zinc/12/43/86/204124386.db2.gz OGZOBWSIOJQSQK-RXSFTSLZSA-N 0 0 354.450 3.098 40 0 FGABRN CCCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000004171769 204125815 /nfs/dbraw/zinc/12/58/15/204125815.db2.gz VNRCQZSICUOARJ-BBWFWOEESA-N 0 0 356.447 3.395 40 0 FGABRN CCOC(=O)c1c(S/C=C\C(=O)OC)nc2c3ccccc3ccn21 ZINC000004817835 204166309 /nfs/dbraw/zinc/16/63/09/204166309.db2.gz ZEDUKUGRDROQGB-LUAWRHEFSA-N 0 0 356.403 3.443 40 0 FGABRN CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000004310937 204131903 /nfs/dbraw/zinc/13/19/03/204131903.db2.gz MQUIUKILGILYLU-CZTZKLFOSA-N 0 0 368.429 3.209 40 0 FGABRN COc1cc(OC)cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000005497020 204211966 /nfs/dbraw/zinc/21/19/66/204211966.db2.gz RBBXVJHIWBEGKV-UHFFFAOYSA-N 0 0 351.786 3.383 40 0 FGABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCO ZINC000005604453 204217266 /nfs/dbraw/zinc/21/72/66/204217266.db2.gz CRYYPFIDNFSERG-UHFFFAOYSA-N 0 0 354.431 3.209 40 0 FGABRN COc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000035289448 204223846 /nfs/dbraw/zinc/22/38/46/204223846.db2.gz JFCZAOXQSWCUPR-UHFFFAOYSA-N 0 0 367.449 3.430 40 0 FGABRN CN(N=O)C1=N[C@H](c2ccccc2Cl)[P@@](=O)(Nc2ncccn2)O1 ZINC000005758741 204224909 /nfs/dbraw/zinc/22/49/09/204224909.db2.gz FAMKPMZOMCEURO-BUBHHJDNSA-N 0 0 366.705 3.433 40 0 FGABRN C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)CNC(=O)OCc1ccccc1 ZINC000005808233 204225469 /nfs/dbraw/zinc/22/54/69/204225469.db2.gz DRMDAUVEXCMVHL-RDTXWAMCSA-N 0 0 368.389 3.021 40 0 FGABRN O=C1Oc2c3ccccc3n(-c3ccccc3)c(=O)c2C(=O)C1(Cl)Cl ZINC000005903310 204230234 /nfs/dbraw/zinc/23/02/34/204230234.db2.gz HGUGZTXIXIZFET-UHFFFAOYSA-N 0 0 374.179 3.266 40 0 FGABRN OCCOc1c(Br)cc(Br)cc1Br ZINC000006091190 204237010 /nfs/dbraw/zinc/23/70/10/204237010.db2.gz GXNDUUQGAZRKDB-UHFFFAOYSA-N 0 0 374.854 3.345 40 0 FGABRN Nc1ccc(S(=O)(=O)c2ccc(NCCc3ccccn3)cc2)cc1 ZINC000006208633 204240541 /nfs/dbraw/zinc/24/05/41/204240541.db2.gz VXRLTXGOAQMISX-UHFFFAOYSA-N 0 0 353.447 3.151 40 0 FGABRN O=c1[nH]c2c([nH]1)[C@@H]1c3ccccc3OC(=O)[C@@H]1[C@@H](c1ccccc1)S2 ZINC000006475814 204249013 /nfs/dbraw/zinc/24/90/13/204249013.db2.gz HAPQGUQVGIEUHM-IJEWVQPXSA-N 0 0 350.399 3.217 40 0 FGABRN COC(=O)c1ccc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2)c1 ZINC000006950338 204284002 /nfs/dbraw/zinc/28/40/02/204284002.db2.gz WEHCWGOXAFDNQP-UHFFFAOYSA-N 0 0 362.382 3.208 40 0 FGABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000007218259 204291578 /nfs/dbraw/zinc/29/15/78/204291578.db2.gz ADXGRAJVFRMMAR-UHFFFAOYSA-N 0 0 352.843 3.119 40 0 FGABRN COc1cc(CNC(=O)COc2ccccc2Cl)cc(OC)c1OC ZINC000007889465 204309668 /nfs/dbraw/zinc/30/96/68/204309668.db2.gz YPWYAGPXMRKSBS-UHFFFAOYSA-N 0 0 365.813 3.061 40 0 FGABRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1OC ZINC000008476006 204332892 /nfs/dbraw/zinc/33/28/92/204332892.db2.gz WNKLLRDJJNYAPD-UHFFFAOYSA-N 0 0 370.430 3.009 40 0 FGABRN CCOc1ccc(S(=O)(=O)NCCCc2ccccc2OCC)cc1 ZINC000010110976 204391004 /nfs/dbraw/zinc/39/10/04/204391004.db2.gz UGBHHKQZLASVFW-UHFFFAOYSA-N 0 0 363.479 3.395 40 0 FGABRN Cc1cccnc1C1(O)CCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000012117334 204431909 /nfs/dbraw/zinc/43/19/09/204431909.db2.gz BHOUAWSEMPTFNF-UHFFFAOYSA-N 0 0 356.491 3.454 40 0 FGABRN CN(Cc1cn(CCCO)c2ccccc12)Cc1[nH]nc2c1CCCC2 ZINC000012147143 204436985 /nfs/dbraw/zinc/43/69/85/204436985.db2.gz NTWLRADYTHINQG-UHFFFAOYSA-N 0 0 352.482 3.258 40 0 FGABRN Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccccc3F)n2)c(C)o1 ZINC000012183690 204438557 /nfs/dbraw/zinc/43/85/57/204438557.db2.gz UCESBWJIZXFHAG-LLVKDONJSA-N 0 0 370.384 3.041 40 0 FGABRN CC1=CC2=NC(=O)C[C@](C)(C(=O)N[C@H](c3cccs3)C(C)C)N2C=C1 ZINC000012200568 204440376 /nfs/dbraw/zinc/44/03/76/204440376.db2.gz PSCJFEZYNZDQQL-PKOBYXMFSA-N 0 0 357.479 3.425 40 0 FGABRN O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012221892 204444076 /nfs/dbraw/zinc/44/40/76/204444076.db2.gz LSXACUXLHSAULR-SFHVURJKSA-N 0 0 360.421 3.061 40 0 FGABRN O=C(c1ccncc1)N1CCC[C@H]([C@@H]2CC(=O)c3cc(F)ccc3O2)C1 ZINC000013266610 204526709 /nfs/dbraw/zinc/52/67/09/204526709.db2.gz JSHQAYNZLVOXQB-LIRRHRJNSA-N 0 0 354.381 3.107 40 0 FGABRN CCC[C@H](C)NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712586 204547251 /nfs/dbraw/zinc/54/72/51/204547251.db2.gz MVNAOHUNVFPAMA-SWLSCSKDSA-N 0 0 360.907 3.189 40 0 FGABRN Cc1csc2c(C3CCN(C(=O)c4cnc(C)nc4C)CC3)nc(C)n12 ZINC000019240568 204674597 /nfs/dbraw/zinc/67/45/97/204674597.db2.gz BXHFIGAYWGEEOF-UHFFFAOYSA-N 0 0 369.494 3.439 40 0 FGABRN O=C(Cc1cc(F)ccc1F)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019293033 204676748 /nfs/dbraw/zinc/67/67/48/204676748.db2.gz UIEALCREMUFESA-UHFFFAOYSA-N 0 0 374.435 3.231 40 0 FGABRN Cc1nc2cc(C(=O)N3CCC[C@](C)(C(=O)NC4CCCC4)C3)ccc2[nH]1 ZINC000019746703 204706453 /nfs/dbraw/zinc/70/64/53/204706453.db2.gz WTMHBVLWLBFTCV-NRFANRHFSA-N 0 0 368.481 3.172 40 0 FGABRN COc1cccc(NC(=O)c2nnc3c(-c4ccccc4)cnn3c2C)c1 ZINC000019817058 204709924 /nfs/dbraw/zinc/70/99/24/204709924.db2.gz FRDKCSTWARURAJ-UHFFFAOYSA-N 0 0 359.389 3.361 40 0 FGABRN COC(=O)c1c(O)ccc(Br)c1CCc1ccc(O)cc1 ZINC000035973559 204999020 /nfs/dbraw/zinc/99/90/20/204999020.db2.gz AZWYWANCNYBFBR-UHFFFAOYSA-N 0 0 351.196 3.432 40 0 FGABRN CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000039985852 205048936 /nfs/dbraw/zinc/04/89/36/205048936.db2.gz BHZPGVSHLSGCJB-UHFFFAOYSA-N 0 0 366.527 3.235 40 0 FGABRN CCc1nn2c(ncc3c2ccn(C(C)(C)CO)c3=O)c1-c1ccccc1 ZINC000040387819 205068532 /nfs/dbraw/zinc/06/85/32/205068532.db2.gz SIDUIJLFHNYPKG-UHFFFAOYSA-N 0 0 362.433 3.001 40 0 FGABRN COc1ccccc1OCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000041153965 205089480 /nfs/dbraw/zinc/08/94/80/205089480.db2.gz FISYOZRKBPRUTE-UHFFFAOYSA-N 0 0 373.796 3.094 40 0 FGABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000044846157 205111417 /nfs/dbraw/zinc/11/14/17/205111417.db2.gz BVCQXXSODCLQMM-GOSISDBHSA-N 0 0 358.463 3.174 40 0 FGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000044900250 205113658 /nfs/dbraw/zinc/11/36/58/205113658.db2.gz FIRPKBUKHAADFR-FOIQADDNSA-N 0 0 373.449 3.445 40 0 FGABRN CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000044885073 205113878 /nfs/dbraw/zinc/11/38/78/205113878.db2.gz WMYGUAFYKXYJCW-UHFFFAOYSA-N 0 0 370.268 3.326 40 0 FGABRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2ccccc2)n1 ZINC000054274130 205198550 /nfs/dbraw/zinc/19/85/50/205198550.db2.gz APFDAMOHBMPBDC-UHFFFAOYSA-N 0 0 357.435 3.007 40 0 FGABRN CCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000055704397 205223816 /nfs/dbraw/zinc/22/38/16/205223816.db2.gz DXKSFFOWLUCXNS-UHFFFAOYSA-N 0 0 364.492 3.058 40 0 FGABRN CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000072324355 205510256 /nfs/dbraw/zinc/51/02/56/205510256.db2.gz HWDVTAMDXWKKGM-AWEZNQCLSA-N 0 0 370.453 3.070 40 0 FGABRN Cc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000072366035 205519504 /nfs/dbraw/zinc/51/95/04/205519504.db2.gz KXQARTJORGGOOI-HNNXBMFYSA-N 0 0 363.396 3.447 40 0 FGABRN O=C(C1=CCCC1)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 ZINC000096040215 205805944 /nfs/dbraw/zinc/80/59/44/205805944.db2.gz OGOLCTOBARZUDC-TZIWHRDSSA-N 0 0 356.466 3.106 40 0 FGABRN CC(C)(O)C(=O)N1Cc2cc(Oc3cccnc3)ccc2[C@H]1c1cnco1 ZINC000096087078 205820671 /nfs/dbraw/zinc/82/06/71/205820671.db2.gz XWFZBYHCYINSOG-SFHVURJKSA-N 0 0 365.389 3.064 40 0 FGABRN COc1cccc(-c2ccc3nc(C4CCN(C(C)=O)CC4)nn3c2)c1 ZINC000096267269 205869526 /nfs/dbraw/zinc/86/95/26/205869526.db2.gz OHPGNBJPBNPLKZ-UHFFFAOYSA-N 0 0 350.422 3.131 40 0 FGABRN Cc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957176 206095259 /nfs/dbraw/zinc/09/52/59/206095259.db2.gz WJPGHXHLADUHLT-LBPRGKRZSA-N 0 0 368.405 3.066 40 0 FGABRN CC(C)COc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCC[C@H]3C)n2)cc1 ZINC000000878272 206138397 /nfs/dbraw/zinc/13/83/97/206138397.db2.gz YBEZMMVESKWTCC-CRAIPNDOSA-N 0 0 371.485 3.070 40 0 FGABRN CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000144752206 206139470 /nfs/dbraw/zinc/13/94/70/206139470.db2.gz SUDBURSDXPCESM-UHFFFAOYSA-N 0 0 355.843 3.226 40 0 FGABRN Cc1ccccc1OCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1C ZINC000000904818 206139909 /nfs/dbraw/zinc/13/99/09/206139909.db2.gz YZHLIAZNWONJBL-HNNXBMFYSA-N 0 0 374.510 3.196 40 0 FGABRN CCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000000931471 206141964 /nfs/dbraw/zinc/14/19/64/206141964.db2.gz FAJYXUFYKDMHKP-QGZVFWFLSA-N 0 0 373.522 3.020 40 0 FGABRN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc3c4ccccc4[nH]c3n2)C1 ZINC000000807144 206133956 /nfs/dbraw/zinc/13/39/56/206133956.db2.gz CUUHKYLNAPUEAO-RYUDHWBXSA-N 0 0 355.467 3.103 40 0 FGABRN Cc1nn(CC(=O)NCc2cccc3ccccc32)c(=O)c2ccccc12 ZINC000001351392 206147679 /nfs/dbraw/zinc/14/76/79/206147679.db2.gz DCLNGDUEQFKYGZ-UHFFFAOYSA-N 0 0 357.413 3.175 40 0 FGABRN COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2F)c1 ZINC000001379781 206149900 /nfs/dbraw/zinc/14/99/00/206149900.db2.gz POUWNCAUMHQQCU-QGZVFWFLSA-N 0 0 357.385 3.469 40 0 FGABRN O=C(COC(=O)c1nsc(Cl)c1Cl)NCc1ccc(F)cc1 ZINC000001381364 206149957 /nfs/dbraw/zinc/14/99/57/206149957.db2.gz ISEJUTGREULGKI-UHFFFAOYSA-N 0 0 363.197 3.062 40 0 FGABRN Cc1ccc(C(=O)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004230951 206170911 /nfs/dbraw/zinc/17/09/11/206170911.db2.gz HMJMHOWBNRXKOI-UHFFFAOYSA-N 0 0 364.445 3.170 40 0 FGABRN CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccoc1C ZINC000004860844 206181793 /nfs/dbraw/zinc/18/17/93/206181793.db2.gz FUHGAIXWBOQKRD-UHFFFAOYSA-N 0 0 362.480 3.336 40 0 FGABRN CCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1cccnc1 ZINC000004860998 206182608 /nfs/dbraw/zinc/18/26/08/206182608.db2.gz MCIKTRSRMVWLOF-UHFFFAOYSA-N 0 0 359.499 3.245 40 0 FGABRN Cc1cccc(C(=O)NC2CCN(C(=S)NCc3ccccc3)CC2)c1 ZINC000004888627 206183525 /nfs/dbraw/zinc/18/35/25/206183525.db2.gz KLSJNBPOGAFELH-UHFFFAOYSA-N 0 0 367.518 3.264 40 0 FGABRN COCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1 ZINC000004881474 206184458 /nfs/dbraw/zinc/18/44/58/206184458.db2.gz QOMHXSMFSGFDRI-UHFFFAOYSA-N 0 0 354.435 3.202 40 0 FGABRN Cc1ccc(C(=O)NC2CCN(C(=S)NCc3ccccc3)CC2)cc1 ZINC000004888624 206184474 /nfs/dbraw/zinc/18/44/74/206184474.db2.gz HUGHBDDCDLLFFT-UHFFFAOYSA-N 0 0 367.518 3.264 40 0 FGABRN CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2Cl)c1N ZINC000004984959 206184969 /nfs/dbraw/zinc/18/49/69/206184969.db2.gz HLMIWNSMLWJTHL-UHFFFAOYSA-N 0 0 357.801 3.154 40 0 FGABRN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br ZINC000005002921 206187383 /nfs/dbraw/zinc/18/73/83/206187383.db2.gz TXTAZTAYAOBZJE-CQSZACIVSA-N 0 0 367.243 3.420 40 0 FGABRN CCc1ccc2[nH]c3nc(SCC(=O)N4CCCCC4)nnc3c2c1 ZINC000005444959 206195662 /nfs/dbraw/zinc/19/56/62/206195662.db2.gz UWARUXIPHTTWNN-UHFFFAOYSA-N 0 0 355.467 3.173 40 0 FGABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000000667400 206223960 /nfs/dbraw/zinc/22/39/60/206223960.db2.gz VNEMUAURMKRPTA-AWEZNQCLSA-N 0 0 354.431 3.145 40 0 FGABRN CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000102681589 206228970 /nfs/dbraw/zinc/22/89/70/206228970.db2.gz 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Cc1cc2c(s1)c1cnn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)c1n2C ZINC000012113537 494204604 /nfs/dbraw/zinc/20/46/04/494204604.db2.gz NDQGLTPYXUMBGX-RYUDHWBXSA-N 0 0 372.494 3.048 40 0 FGABRN O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3cccnc3)[nH]2)C1 ZINC000012115737 494204799 /nfs/dbraw/zinc/20/47/99/494204799.db2.gz ZXYZCWSGHJGVMJ-CQSZACIVSA-N 0 0 366.400 3.417 40 0 FGABRN O=C(Cc1cccc(Cl)c1)N1CCC(n2cnc3cccnc32)CC1 ZINC000012114683 494205157 /nfs/dbraw/zinc/20/51/57/494205157.db2.gz HVOOXPMGZYKJLG-UHFFFAOYSA-N 0 0 354.841 3.491 40 0 FGABRN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)on1 ZINC000012118444 494205549 /nfs/dbraw/zinc/20/55/49/494205549.db2.gz AZSSFGIRGQXJKI-AWEZNQCLSA-N 0 0 367.409 3.065 40 0 FGABRN Cc1c(C(=O)N2CCN(C3CCCCC3)C(=O)C2)[nH]nc1-c1ccccc1 ZINC000012116939 494205553 /nfs/dbraw/zinc/20/55/53/494205553.db2.gz WOLIJNVQJIOYHT-UHFFFAOYSA-N 0 0 366.465 3.002 40 0 FGABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012116105 494205708 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494210442 /nfs/dbraw/zinc/21/04/42/494210442.db2.gz QYZUZGQZHHNWJF-CYBMUJFWSA-N 0 0 374.510 3.344 40 0 FGABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)s1 ZINC000012327550 494224604 /nfs/dbraw/zinc/22/46/04/494224604.db2.gz CGAWQLYPLHJHMJ-CYBMUJFWSA-N 0 0 369.450 3.225 40 0 FGABRN Cc1cnc(-c2nc(C3CCN(Cc4ccc(F)c(F)c4)CC3)no2)cn1 ZINC000012337375 494224926 /nfs/dbraw/zinc/22/49/26/494224926.db2.gz BPFGATILTLZKPE-UHFFFAOYSA-N 0 0 371.391 3.493 40 0 FGABRN COC(=O)c1coc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000088346556 494227698 /nfs/dbraw/zinc/22/76/98/494227698.db2.gz GJOCHHJKBATBDV-UHFFFAOYSA-N 0 0 356.375 3.133 40 0 FGABRN O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 ZINC000042645736 494233389 /nfs/dbraw/zinc/23/33/89/494233389.db2.gz WDEIOGJADZBMAP-UHFFFAOYSA-N 0 0 367.630 3.357 40 0 FGABRN CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711377 494294296 /nfs/dbraw/zinc/29/42/96/494294296.db2.gz VVVZHWGCORDPAV-SFHVURJKSA-N 0 0 364.511 3.238 40 0 FGABRN CCCC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1 ZINC000014258594 494313804 /nfs/dbraw/zinc/31/38/04/494313804.db2.gz JOZHWKGKBXRQJG-UHFFFAOYSA-N 0 0 351.878 3.383 40 0 FGABRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccccc2O)c1 ZINC000014404661 494318456 /nfs/dbraw/zinc/31/84/56/494318456.db2.gz GVQBAQDIBISUKR-UHFFFAOYSA-N 0 0 350.378 3.237 40 0 FGABRN O=C(c1ccccc1F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014630017 494321869 /nfs/dbraw/zinc/32/18/69/494321869.db2.gz BCGAWHKAMQFSOB-UHFFFAOYSA-N 0 0 374.284 3.484 40 0 FGABRN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000014905560 494328741 /nfs/dbraw/zinc/32/87/41/494328741.db2.gz GWFNPTNTRBMQSY-ZDUSSCGKSA-N 0 0 373.792 3.085 40 0 FGABRN COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000015582333 494360827 /nfs/dbraw/zinc/36/08/27/494360827.db2.gz WFQLBGVAEYRCOE-UHFFFAOYSA-N 0 0 371.368 3.464 40 0 FGABRN O=C(N[C@@H](CCc1ccccc1)n1nnc2ccccc21)c1ccncc1 ZINC000015772640 494368351 /nfs/dbraw/zinc/36/83/51/494368351.db2.gz 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494435813 /nfs/dbraw/zinc/43/58/13/494435813.db2.gz XRCITIBXPZYEPZ-QGZVFWFLSA-N 0 0 352.413 3.473 40 0 FGABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)on1 ZINC000019121030 494436095 /nfs/dbraw/zinc/43/60/95/494436095.db2.gz SYIICAWHTISUMA-INIZCTEOSA-N 0 0 354.385 3.418 40 0 FGABRN Cc1ccc(O[C@@H](C)C(=O)NCCc2nc3ccccc3n2C)cc1C ZINC000019214232 494438118 /nfs/dbraw/zinc/43/81/18/494438118.db2.gz SNJULWQXQUNCPV-INIZCTEOSA-N 0 0 351.450 3.316 40 0 FGABRN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1cccc(Cn2cncn2)c1 ZINC000019220098 494438518 /nfs/dbraw/zinc/43/85/18/494438518.db2.gz LJQZENUNHHNHOI-UHFFFAOYSA-N 0 0 373.460 3.397 40 0 FGABRN COc1c(C)cccc1CNCc1cc(N(C)C)nc(-c2cccnc2)n1 ZINC000019236024 494439166 /nfs/dbraw/zinc/43/91/66/494439166.db2.gz XIRCXWLJRMZOMH-UHFFFAOYSA-N 0 0 363.465 3.211 40 0 FGABRN Fc1ccc(CN(CCCN2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000019293058 494440548 /nfs/dbraw/zinc/44/05/48/494440548.db2.gz BUJPYUZBKDHNCG-UHFFFAOYSA-N 0 0 361.436 3.084 40 0 FGABRN Cn1ccnc1-c1nc(NC2CCOCC2)ncc1-c1cccc(F)c1 ZINC000019291617 494440600 /nfs/dbraw/zinc/44/06/00/494440600.db2.gz GULKAIQDWASHNF-UHFFFAOYSA-N 0 0 353.401 3.274 40 0 FGABRN O=c1cc(-c2cccnc2)nc([C@H]2CCN(Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292696 494440820 /nfs/dbraw/zinc/44/08/20/494440820.db2.gz CCWSZIMAPXLBSR-HNNXBMFYSA-N 0 0 368.387 3.100 40 0 FGABRN O=C(c1ccc(F)c(F)c1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019292792 494440853 /nfs/dbraw/zinc/44/08/53/494440853.db2.gz FDFQMJALIIYUTH-UHFFFAOYSA-N 0 0 360.408 3.303 40 0 FGABRN Cc1cccc2c(C)nc(NC3=NCN(CCc4cccs4)CN3)nc12 ZINC000019330725 494442608 /nfs/dbraw/zinc/44/26/08/494442608.db2.gz DSIGPWQDGZXQQU-UHFFFAOYSA-N 0 0 366.494 3.139 40 0 FGABRN O=C1NCC2(CCN(Cc3ccc(F)c(F)c3)CC2)Oc2ccccc21 ZINC000019374821 494443902 /nfs/dbraw/zinc/44/39/02/494443902.db2.gz IADFDUNFXKYLMA-UHFFFAOYSA-N 0 0 358.388 3.122 40 0 FGABRN O=C(C1CC1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 ZINC000019405723 494444778 /nfs/dbraw/zinc/44/47/78/494444778.db2.gz RHOGTYCNSLYCTN-UHFFFAOYSA-N 0 0 363.465 3.229 40 0 FGABRN CC(C)c1cc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)[nH]n1 ZINC000019451813 494445276 /nfs/dbraw/zinc/44/52/76/494445276.db2.gz JHRRVQIJZPNZJV-KRWDZBQOSA-N 0 0 350.426 3.296 40 0 FGABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019498587 494446271 /nfs/dbraw/zinc/44/62/71/494446271.db2.gz LNWGXULPBPYOFM-QFIPXVFZSA-N 0 0 350.462 3.400 40 0 FGABRN CCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC000019498944 494446338 /nfs/dbraw/zinc/44/63/38/494446338.db2.gz PVDGAGUNQMXDAD-KRWDZBQOSA-N 0 0 354.425 3.020 40 0 FGABRN CCC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccncc2)CC1 ZINC000019498534 494446574 /nfs/dbraw/zinc/44/65/74/494446574.db2.gz QVTPOIRYNVSIRA-UHFFFAOYSA-N 0 0 353.470 3.475 40 0 FGABRN CCCn1cnc(NC(=O)Cn2c3cc(C)ccc3nc2C(F)(F)F)n1 ZINC000019656224 494453455 /nfs/dbraw/zinc/45/34/55/494453455.db2.gz NUUPTTYYNYGKMS-UHFFFAOYSA-N 0 0 366.347 3.004 40 0 FGABRN CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)COc2ccccc2)C1 ZINC000019712307 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ZINC000078579519 520335132 /nfs/dbraw/zinc/33/51/32/520335132.db2.gz KXZIEYMVZJUAMW-UHFFFAOYSA-N 0 0 367.405 3.464 40 0 FGABRN COc1cc(/C=C\COC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O ZINC000085473528 521985402 /nfs/dbraw/zinc/98/54/02/521985402.db2.gz PGLIMMMHQDNVRS-ZJSQCTGTSA-N 0 0 356.374 3.385 40 0 biogenic,in-vitro FGABRN COc1cc(C=O)ccc1OCCCN1CCN(c2ccccc2)CC1 ZINC000217791390 522313045 /nfs/dbraw/zinc/31/30/45/522313045.db2.gz DAENIDLBSAYRIB-UHFFFAOYSA-N 0 0 354.450 3.099 40 0 FGABRN COCc1nc2nc(C(F)(F)F)nn2c(N)c1-c1ccc(Cl)cc1 ZINC000020638441 523230010 /nfs/dbraw/zinc/23/00/10/523230010.db2.gz JJWGCIAILCEKQL-UHFFFAOYSA-N 0 0 357.723 3.192 40 0 FGABRN CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 ZINC000072372946 534776350 /nfs/dbraw/zinc/77/63/50/534776350.db2.gz XXQWXIMDUXVTAP-FQEVSTJZSA-N 0 0 364.493 3.464 40 0 FGABRN CS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1 ZINC000020111203 525217308 /nfs/dbraw/zinc/21/73/08/525217308.db2.gz CZRVFRBNHIFWLE-UHFFFAOYSA-N 0 0 366.870 3.074 40 0 FGABRN Cc1cc(OCC(=O)NCc2cccnc2)c(C)c(C)c1Br ZINC000020344528 525363617 /nfs/dbraw/zinc/36/36/17/525363617.db2.gz DWEDPUHUYGVCBX-UHFFFAOYSA-N 0 0 363.255 3.465 40 0 FGABRN CC(C)CNC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 ZINC000223878862 535168063 /nfs/dbraw/zinc/16/80/63/535168063.db2.gz YTIGCDYLUXVOMU-UHFFFAOYSA-N 0 0 369.538 3.351 40 0 FGABRN CCOC(=O)[C@H](C(C)=O)[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 ZINC000001705916 535603571 /nfs/dbraw/zinc/60/35/71/535603571.db2.gz OHPCQFYWJOYMQS-VQTJNVASSA-N 0 0 363.413 3.497 40 0 FGABRN Cc1cccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000220116262 568322739 /nfs/dbraw/zinc/32/27/39/568322739.db2.gz XCMKLQLFXWKJRV-MRXNPFEDSA-N 0 0 360.479 3.405 40 0 FGABRN COc1ccc(-c2noc(CN(C)C(=O)Nc3ccccc3)n2)c(OC)c1 ZINC000222628282 568547362 /nfs/dbraw/zinc/54/73/62/568547362.db2.gz OWPDXUNMBNRSMZ-UHFFFAOYSA-N 0 0 368.393 3.418 40 0 FGABRN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222740590 568558609 /nfs/dbraw/zinc/55/86/09/568558609.db2.gz HPUKCJMREORTGP-HNNXBMFYSA-N 0 0 363.417 3.194 40 0 FGABRN Cc1cc(/C=C2/NC(=S)NC2=O)cc(C)c1OCc1ccc(F)cc1 ZINC000408844310 570691270 /nfs/dbraw/zinc/69/12/70/570691270.db2.gz CBPKWTHNCHEKRD-CXUHLZMHSA-N 0 0 356.422 3.367 40 0 FGABRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O ZINC000409134093 570730591 /nfs/dbraw/zinc/73/05/91/570730591.db2.gz VQYUSVJQQXFIQM-NTUHNPAUSA-N 0 0 357.815 3.040 40 0 FGABRN Cc1ccc(OCc2nn(CC(=O)NCc3ccccc3)c(=S)o2)cc1 ZINC000409159767 570733369 /nfs/dbraw/zinc/73/33/69/570733369.db2.gz XGVFWKWCOQATDD-UHFFFAOYSA-N 0 0 369.446 3.409 40 0 FGABRN Cc1ccc(S(=O)(=O)N=c2sccn2CC(=O)c2ccccc2)cc1 ZINC000409207384 570739356 /nfs/dbraw/zinc/73/93/56/570739356.db2.gz TZDJMOWWZDPYFI-HNENSFHCSA-N 0 0 372.471 3.031 40 0 FGABRN COCCCN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O ZINC000409220768 570742196 /nfs/dbraw/zinc/74/21/96/570742196.db2.gz FLJXJLLIBHTGJN-XYOKQWHBSA-N 0 0 372.240 3.228 40 0 FGABRN COc1cccc(OC)c1/C=C/C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000409251285 570746583 /nfs/dbraw/zinc/74/65/83/570746583.db2.gz UONZNHLPEWBXPX-ZHACJKMWSA-N 0 0 370.424 3.205 40 0 FGABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(OC)c1OC ZINC000409371524 570754069 /nfs/dbraw/zinc/75/40/69/570754069.db2.gz WYDPPMIXYVMSIN-HNNXBMFYSA-N 0 0 360.435 3.472 40 0 FGABRN CC[C@@H](C(=O)NCC1=CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224303072 570984334 /nfs/dbraw/zinc/98/43/34/570984334.db2.gz VBJATBWTIBTOIR-SFHVURJKSA-N 0 0 364.511 3.156 40 0 FGABRN COc1ccccc1OCCc1cc([C@@H]2CN(CC(C)C)CCO2)nn1C ZINC000257330027 210000971 /nfs/dbraw/zinc/00/09/71/210000971.db2.gz XMLVIFVTRSQRPN-NRFANRHFSA-N 0 0 373.497 3.080 40 0 FGABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccn2)[C@@H]1c1ccccc1 ZINC000257326853 210000398 /nfs/dbraw/zinc/00/03/98/210000398.db2.gz WYXNADOLSKBKCY-CTNGQTDRSA-N 0 0 365.477 3.082 40 0 FGABRN CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)c1cccc2ncccc21 ZINC000257325033 209997342 /nfs/dbraw/zinc/99/73/42/209997342.db2.gz WRELYQZMNDXRMD-OXJNMPFZSA-N 0 0 351.450 3.098 40 0 FGABRN CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)NCCO)ccc3O2)cc1 ZINC000257267672 209982851 /nfs/dbraw/zinc/98/28/51/209982851.db2.gz MIHFJFBHQDGDQI-QFIPXVFZSA-N 0 0 353.462 3.468 40 0 FGABRN CCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 ZINC000257249823 209977994 /nfs/dbraw/zinc/97/79/94/209977994.db2.gz JJXHGDAZXLMUOT-UHFFFAOYSA-N 0 0 365.477 3.185 40 0 FGABRN COc1ccc(-c2cc([C@H]3CCN(C(=O)CCc4ccno4)C3)[nH]n2)cc1 ZINC000257243405 209975392 /nfs/dbraw/zinc/97/53/92/209975392.db2.gz IGVAPIWMQUVYNN-HNNXBMFYSA-N 0 0 366.421 3.022 40 0 FGABRN COC(C)(C)C(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1 ZINC000257204022 209962957 /nfs/dbraw/zinc/96/29/57/209962957.db2.gz ASRYGEBVVDWGGW-UHFFFAOYSA-N 0 0 369.469 3.055 40 0 FGABRN Cc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000248112626 209925501 /nfs/dbraw/zinc/92/55/01/209925501.db2.gz STIKSCYUXHSKHS-DBENCMRHSA-N 0 0 372.424 3.170 40 0 FGABRN O=C(Cc1cccs1)N1Cc2cccn2[C@H](COCc2ccccn2)C1 ZINC000247809146 209915491 /nfs/dbraw/zinc/91/54/91/209915491.db2.gz DGSNFUZVVGTCJF-SFHVURJKSA-N 0 0 367.474 3.287 40 0 FGABRN CCCOC1(C(=O)Nc2ccc(OCCOC)nc2)CCC(C)CC1 ZINC000225912277 209843523 /nfs/dbraw/zinc/84/35/23/209843523.db2.gz FYXKAOYANDVSIW-UHFFFAOYSA-N 0 0 350.459 3.421 40 0 FGABRN COc1cccc(NC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000225762307 209834785 /nfs/dbraw/zinc/83/47/85/209834785.db2.gz FMIUZPMPMYUIEW-MRXNPFEDSA-N 0 0 369.421 3.248 40 0 FGABRN CCOc1cc(CNC(=S)Nc2cccc(C(=O)OC)c2)ccc1OC ZINC000225770987 209834598 /nfs/dbraw/zinc/83/45/98/209834598.db2.gz CXNFVUCUVGTRNL-UHFFFAOYSA-N 0 0 374.462 3.367 40 0 FGABRN O=C1SC(Br)(Br)C(=O)N1c1ccccc1 ZINC000001091199 219368354 /nfs/dbraw/zinc/36/83/54/219368354.db2.gz ZQQSWCSWHGXELD-UHFFFAOYSA-N 0 0 351.019 3.330 40 0 FGABRN CC(C)[C@@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000225196362 209802073 /nfs/dbraw/zinc/80/20/73/209802073.db2.gz FLVMOICAOLDLCT-MRXNPFEDSA-N 0 0 374.506 3.427 40 0 FGABRN CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225099647 209797972 /nfs/dbraw/zinc/79/79/72/209797972.db2.gz HMIVAJUMBUGROG-UHFFFAOYSA-N 0 0 353.415 3.448 40 0 FGABRN CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224586179 209789025 /nfs/dbraw/zinc/78/90/25/209789025.db2.gz KQOWOMLTAWOQJY-UHFFFAOYSA-N 0 0 363.435 3.087 40 0 FGABRN COCCCNC(=O)c1ccccc1NC(=O)Cc1cccc(Cl)c1 ZINC000224435214 209784505 /nfs/dbraw/zinc/78/45/05/209784505.db2.gz RHRHHHAQEGJWFI-UHFFFAOYSA-N 0 0 360.841 3.288 40 0 FGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223968411 209774171 /nfs/dbraw/zinc/77/41/71/209774171.db2.gz FTLWBPVVYDOCKF-QGZVFWFLSA-N 0 0 368.477 3.181 40 0 FGABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223681386 209765775 /nfs/dbraw/zinc/76/57/75/209765775.db2.gz ZGOROZROTKVZBT-INIZCTEOSA-N 0 0 356.441 3.230 40 0 FGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000223504450 209761932 /nfs/dbraw/zinc/76/19/32/209761932.db2.gz HYRSKRKNEZNASP-MRXNPFEDSA-N 0 0 356.491 3.332 40 0 FGABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C ZINC000223422837 209759438 /nfs/dbraw/zinc/75/94/38/209759438.db2.gz PTKIPYNQTXDHEL-MRXNPFEDSA-N 0 0 374.506 3.499 40 0 FGABRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000223247609 209752217 /nfs/dbraw/zinc/75/22/17/209752217.db2.gz ALPLGINKRSZFRA-ZDUSSCGKSA-N 0 0 359.447 3.001 40 0 FGABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000223016936 209745114 /nfs/dbraw/zinc/74/51/14/209745114.db2.gz ZCJNVNMQLBOFAA-HXUWFJFHSA-N 0 0 352.478 3.481 40 0 FGABRN CCCC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC ZINC000222884724 209741959 /nfs/dbraw/zinc/74/19/59/209741959.db2.gz KHLJBBXUGJPHIG-HXUWFJFHSA-N 0 0 368.477 3.181 40 0 FGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 ZINC000222581679 209730136 /nfs/dbraw/zinc/73/01/36/209730136.db2.gz KLLWHJLRBJVSMH-HNNXBMFYSA-N 0 0 374.868 3.191 40 0 FGABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219491729 209685567 /nfs/dbraw/zinc/68/55/67/209685567.db2.gz LHLGTXWIXBENQR-KDOFPFPSSA-N 0 0 361.463 3.125 40 0 FGABRN COC(=O)C1=Cc2cc(Br)ccc2O[C@@]1(OC)C(F)(F)F ZINC000217811970 209661685 /nfs/dbraw/zinc/66/16/85/209661685.db2.gz WVWGMOUCJTWIQV-GFCCVEGCSA-N 0 0 367.117 3.303 40 0 FGABRN COc1ccc2c(c1)OC1(CCN(C(=O)c3ccccc3)CC1)CC2=O ZINC000170495621 209540930 /nfs/dbraw/zinc/54/09/30/209540930.db2.gz RXZOTFKKRCBOTK-UHFFFAOYSA-N 0 0 351.402 3.335 40 0 FGABRN O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006698997 209453463 /nfs/dbraw/zinc/45/34/63/209453463.db2.gz XEQGXOUXTARTML-NEPXVJNWSA-N 0 0 356.466 3.358 40 0 FGABRN CCn1c(SC)nnc1C1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000005001388 209432940 /nfs/dbraw/zinc/43/29/40/209432940.db2.gz YCKYOSGGQGFYKA-MRXNPFEDSA-N 0 0 374.510 3.114 40 0 FGABRN O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)cs1 ZINC000000990963 209385858 /nfs/dbraw/zinc/38/58/58/209385858.db2.gz OLMBFCKSPUDGEL-UHFFFAOYSA-N 0 0 372.471 3.479 40 0 FGABRN CCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1ccccn1 ZINC000001362659 209390745 /nfs/dbraw/zinc/39/07/45/209390745.db2.gz PWNUNFQNUCOWAC-CQSZACIVSA-N 0 0 359.499 3.101 40 0 FGABRN COc1ccc(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)cc1 ZINC000001332353 209387940 /nfs/dbraw/zinc/38/79/40/209387940.db2.gz LNJRUHIJMZZWDA-UHFFFAOYSA-N 0 0 373.463 3.043 40 0 FGABRN CCc1ccccc1-n1c(SCC(=O)OC)nc2ccccc2c1=O ZINC000001329104 209387335 /nfs/dbraw/zinc/38/73/35/209387335.db2.gz MIVCVJQCWQEXCI-UHFFFAOYSA-N 0 0 354.431 3.213 40 0 FGABRN O=C(Cn1c(C(=O)NC[C@H]2CCCO2)cc2sccc21)c1ccccc1 ZINC000001324421 209387105 /nfs/dbraw/zinc/38/71/05/209387105.db2.gz WJUXWAWKBAHADK-OAHLLOKOSA-N 0 0 368.458 3.495 40 0 FGABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCCO3 ZINC000000928308 209381635 /nfs/dbraw/zinc/38/16/35/209381635.db2.gz NLGLNJVRSZYILX-UHFFFAOYSA-N 0 0 358.463 3.419 40 0 FGABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(C)c1 ZINC000000796648 209375572 /nfs/dbraw/zinc/37/55/72/209375572.db2.gz FOBWQWNGGPDYPN-QGZVFWFLSA-N 0 0 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O=C(N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1ccccc1 ZINC000019369285 494443641 /nfs/dbraw/zinc/44/36/41/494443641.db2.gz MHQMGZFPKXSHNC-LJQANCHMSA-N 0 0 359.429 3.361 40 0 FGABRN CCc1nn(C)c(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)c1C ZINC000019521048 494445754 /nfs/dbraw/zinc/44/57/54/494445754.db2.gz XIPWLPLFEJQFQH-QGZVFWFLSA-N 0 0 354.479 3.461 40 0 FGABRN CCCC(=O)N1CCC[C@@H](c2nc3cc(OC)c(OC)cc3cc2N)C1 ZINC000019501272 494446009 /nfs/dbraw/zinc/44/60/09/494446009.db2.gz ZAOFOQYIRHHAKW-CYBMUJFWSA-N 0 0 357.454 3.340 40 0 FGABRN C[C@@H]1CN(c2ncc(-c3ccsc3)c(-c3ccnn3C)n2)C[C@H](C)O1 ZINC000019497627 494446168 /nfs/dbraw/zinc/44/61/68/494446168.db2.gz AVHGNNYCHCHLHH-BETUJISGSA-N 0 0 355.467 3.219 40 0 FGABRN CCC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC000019498945 494446294 /nfs/dbraw/zinc/44/62/94/494446294.db2.gz PVDGAGUNQMXDAD-QGZVFWFLSA-N 0 0 354.425 3.020 40 0 FGABRN CCOC(=O)C1CCN(c2c(C)c(C)nc3cc(-c4ccco4)nn32)CC1 ZINC000019530407 494447731 /nfs/dbraw/zinc/44/77/31/494447731.db2.gz SLGHJHOTHDPHLZ-UHFFFAOYSA-N 0 0 368.437 3.386 40 0 FGABRN CCc1nc(CNC(=O)CCn2c3ccccc3c3c2CCCC3)no1 ZINC000019523171 494448038 /nfs/dbraw/zinc/44/80/38/494448038.db2.gz WFUXFBGMNBXNNA-UHFFFAOYSA-N 0 0 352.438 3.172 40 0 FGABRN COc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000019555358 494448744 /nfs/dbraw/zinc/44/87/44/494448744.db2.gz SDDROKQQADIGAH-UHFFFAOYSA-N 0 0 356.466 3.030 40 0 FGABRN Cc1cc(C)n(C[C@H](C)NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)n1 ZINC000019573714 494449950 /nfs/dbraw/zinc/44/99/50/494449950.db2.gz BMVPRFJFRKFILZ-ZFWWWQNUSA-N 0 0 357.502 3.193 40 0 FGABRN CNc1nc(C)c(C(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)s1 ZINC000019560896 494450670 /nfs/dbraw/zinc/45/06/70/494450670.db2.gz YBMPAARQCNCUNL-UHFFFAOYSA-N 0 0 356.451 3.182 40 0 FGABRN Cc1noc(C)c1CCNC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019580865 494451409 /nfs/dbraw/zinc/45/14/09/494451409.db2.gz DPQRKOVARDTASG-UHFFFAOYSA-N 0 0 373.416 3.269 40 0 FGABRN CN(CC(=O)N[C@@H](Cc1ccsc1)c1cccnc1)Cc1ccccn1 ZINC000019586553 494451696 /nfs/dbraw/zinc/45/16/96/494451696.db2.gz LYVDCZDFVBNSOK-IBGZPJMESA-N 0 0 366.490 3.070 40 0 FGABRN CCn1cc(NC(=O)CN2CCC(Oc3ccccc3C)CC2)c(C)n1 ZINC000019664671 494453588 /nfs/dbraw/zinc/45/35/88/494453588.db2.gz XVXVPEQVUHTWIN-UHFFFAOYSA-N 0 0 356.470 3.002 40 0 FGABRN CCOc1ccc2c(c1)c(C(=O)N[C@@H](C)c1cnn(C)c1C)c(C)n2C ZINC000019661898 494454188 /nfs/dbraw/zinc/45/41/88/494454188.db2.gz FUZIGLOCYUQYPM-LBPRGKRZSA-N 0 0 354.454 3.418 40 0 FGABRN O=C1[C@H](C2CCN(c3cncnc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019703458 494454519 /nfs/dbraw/zinc/45/45/19/494454519.db2.gz OTQOZQHAIHGYGI-NRFANRHFSA-N 0 0 362.477 3.298 40 0 FGABRN O=C(c1cccnc1)N1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1 ZINC000019704877 494455236 /nfs/dbraw/zinc/45/52/36/494455236.db2.gz OUKOSMHXLAMMOV-HNNXBMFYSA-N 0 0 366.396 3.153 40 0 FGABRN CCN(CC)c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncn1 ZINC000079440154 494455438 /nfs/dbraw/zinc/45/54/38/494455438.db2.gz VCPCRRKNECZLJG-UHFFFAOYSA-N 0 0 350.463 3.101 40 0 FGABRN CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cccc3cccnc32)nn1C ZINC000019709086 494456361 /nfs/dbraw/zinc/45/63/61/494456361.db2.gz WKQHGFLXAAFQHA-LJQANCHMSA-N 0 0 363.465 3.007 40 0 FGABRN Cc1cc(C)cc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000019947177 494464088 /nfs/dbraw/zinc/46/40/88/494464088.db2.gz QFJRPVBVWKNRSV-UHFFFAOYSA-N 0 0 360.479 3.325 40 0 FGABRN CC[C@@H](C(=O)N(C)C1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000019934056 494464183 /nfs/dbraw/zinc/46/41/83/494464183.db2.gz SHIPPAJMUVOMEX-INIZCTEOSA-N 0 0 372.918 3.286 40 0 FGABRN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(F)cc1 ZINC000019933209 494464266 /nfs/dbraw/zinc/46/42/66/494464266.db2.gz MMXLLNICGMADPT-SNVBAGLBSA-N 0 0 370.833 3.342 40 0 FGABRN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000019936549 494464314 /nfs/dbraw/zinc/46/43/14/494464314.db2.gz YGUPVTMTVSLKEQ-UHFFFAOYSA-N 0 0 373.217 3.239 40 0 FGABRN Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020108597 494466387 /nfs/dbraw/zinc/46/63/87/494466387.db2.gz XDUIEYGHHZZPSN-UHFFFAOYSA-N 0 0 358.463 3.173 40 0 FGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Nc1ccccc1 ZINC000020482962 494474945 /nfs/dbraw/zinc/47/49/45/494474945.db2.gz ZYMQMPSDPJDDAO-UHFFFAOYSA-N 0 0 363.439 3.026 40 0 FGABRN O=C1C[C@H](Sc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)c(F)c1 ZINC000020798858 494481883 /nfs/dbraw/zinc/48/18/83/494481883.db2.gz QCFOHCDOSPXLNE-AWEZNQCLSA-N 0 0 359.357 3.265 40 0 FGABRN CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1OC)C3 ZINC000020796569 494482038 /nfs/dbraw/zinc/48/20/38/494482038.db2.gz CDRYLSYZIODFPK-NSHDSACASA-N 0 0 354.435 3.158 40 0 FGABRN CC(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000021596485 494500426 /nfs/dbraw/zinc/50/04/26/494500426.db2.gz XLVFEXGUHQUJPW-UHFFFAOYSA-N 0 0 361.430 3.407 40 0 FGABRN CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2ccccc21 ZINC000022234437 494517535 /nfs/dbraw/zinc/51/75/35/494517535.db2.gz JHGHGDIWUCOXQO-UHFFFAOYSA-N 0 0 350.374 3.060 40 0 FGABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)C1CCCCC1 ZINC000022523870 494525897 /nfs/dbraw/zinc/52/58/97/494525897.db2.gz MXUIENIUJDAIFN-UHFFFAOYSA-N 0 0 364.511 3.184 40 0 FGABRN COc1ccc(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc1 ZINC000022532890 494526978 /nfs/dbraw/zinc/52/69/78/494526978.db2.gz PJQWJOLGGSZCGJ-OAHLLOKOSA-N 0 0 365.433 3.273 40 0 FGABRN CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000022618827 494529532 /nfs/dbraw/zinc/52/95/32/494529532.db2.gz ALDQODUSADAASX-LBPRGKRZSA-N 0 0 350.415 3.155 40 0 FGABRN CC(C)(O)c1cc(CC2(NCc3ccc(C(F)(F)F)cc3)COC2)no1 ZINC000067897940 494687295 /nfs/dbraw/zinc/68/72/95/494687295.db2.gz BJMHXHGWKTYZID-UHFFFAOYSA-N 0 0 370.371 3.022 40 0 biogenic,in-vitro FGABRN CCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)(C)C ZINC000027823455 494886731 /nfs/dbraw/zinc/88/67/31/494886731.db2.gz PYKDTQADEDQZAW-UHFFFAOYSA-N 0 0 355.500 3.184 40 0 FGABRN CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2-c2cc[nH]n2)CC1 ZINC000095828970 494989158 /nfs/dbraw/zinc/98/91/58/494989158.db2.gz WIIVJZGREVFEIA-UHFFFAOYSA-N 0 0 372.469 3.008 40 0 FGABRN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OC)cc3)[nH]2)cc1OCC ZINC000095533775 494989858 /nfs/dbraw/zinc/98/98/58/494989858.db2.gz PCMNTTSVLSVYGR-SFHVURJKSA-N 0 0 368.437 3.326 40 0 FGABRN Cc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000155630905 496018389 /nfs/dbraw/zinc/01/83/89/496018389.db2.gz NMRDXSHSFVVQJE-IINYFYTJSA-N 0 0 367.833 3.402 40 0 FGABRN O=C(c1ccc2[nH]ccc2c1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 ZINC000247800775 496916099 /nfs/dbraw/zinc/91/60/99/496916099.db2.gz FPNXPDMBCPYICH-UIAACRFSSA-N 0 0 354.450 3.214 40 0 FGABRN O=C(CC1=CCCCC1)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 ZINC000247842829 496920191 /nfs/dbraw/zinc/92/01/91/496920191.db2.gz FXWNQJKYZBKYCG-HXUWFJFHSA-N 0 0 370.493 3.496 40 0 FGABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)c4ccsc4)C3)C2)n1 ZINC000247864971 496921725 /nfs/dbraw/zinc/92/17/25/496921725.db2.gz IEPIQLSUKSVYJF-QGZVFWFLSA-N 0 0 358.463 3.042 40 0 FGABRN O=C([C@@H]1CN(Cc2cccc3ccccc32)Cc2cncn21)N1CCCC1 ZINC000247884145 496924918 /nfs/dbraw/zinc/92/49/18/496924918.db2.gz WMRCLKWGJZEWSG-NRFANRHFSA-N 0 0 360.461 3.216 40 0 FGABRN Cc1cc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)no1 ZINC000247921620 496928122 /nfs/dbraw/zinc/92/81/22/496928122.db2.gz OERNYPLUAGAVIU-HXUWFJFHSA-N 0 0 359.470 3.175 40 0 FGABRN CC(C)n1cc(CN2CC3(C2)C[C@H](Oc2ncccc2F)CS3)cn1 ZINC000247982393 496938528 /nfs/dbraw/zinc/93/85/28/496938528.db2.gz HOSJBBIQVHFGKX-HNNXBMFYSA-N 0 0 362.474 3.137 40 0 FGABRN CC(C)NC(=O)[C@@H]1CN(Cc2cccc3ccccc32)Cc2ncn(C)c21 ZINC000248013297 496943084 /nfs/dbraw/zinc/94/30/84/496943084.db2.gz FNSZPXWTGALYJI-LJQANCHMSA-N 0 0 362.477 3.197 40 0 FGABRN Cc1ccc(CN2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)o1 ZINC000248091463 496954314 /nfs/dbraw/zinc/95/43/14/496954314.db2.gz LPVZQJXTNJXEQT-WMQCIHAUSA-N 0 0 356.466 3.488 40 0 FGABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c(N)c1 ZINC000216934445 496993245 /nfs/dbraw/zinc/99/32/45/496993245.db2.gz JAMUDJZPSANCDL-UHFFFAOYSA-N 0 0 355.257 3.449 40 0 FGABRN COc1cc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc(OC)c1OC ZINC000219069719 497007030 /nfs/dbraw/zinc/00/70/30/497007030.db2.gz GFJDQQUQCBPCLK-HNNXBMFYSA-N 0 0 373.449 3.413 40 0 FGABRN CC[C@H](Oc1ccccc1C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000219312815 497009037 /nfs/dbraw/zinc/00/90/37/497009037.db2.gz NRKIOUQYISIGCT-INIZCTEOSA-N 0 0 373.449 3.495 40 0 FGABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000222427520 497022767 /nfs/dbraw/zinc/02/27/67/497022767.db2.gz XHOWEMZTLHUTMD-GOSISDBHSA-N 0 0 368.477 3.317 40 0 FGABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222425852 497022847 /nfs/dbraw/zinc/02/28/47/497022847.db2.gz ZDGYVVDEWZAGSD-OAHLLOKOSA-N 0 0 358.869 3.354 40 0 FGABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000222473652 497024083 /nfs/dbraw/zinc/02/40/83/497024083.db2.gz CCQZUUWUTCJGIZ-GOSISDBHSA-N 0 0 368.477 3.317 40 0 FGABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222488228 497024658 /nfs/dbraw/zinc/02/46/58/497024658.db2.gz ATZTVZMWAVTCIA-HNNXBMFYSA-N 0 0 358.869 3.354 40 0 FGABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 ZINC000222486595 497024797 /nfs/dbraw/zinc/02/47/97/497024797.db2.gz ALEQWULRFKJETA-OAHLLOKOSA-N 0 0 374.868 3.191 40 0 FGABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222836078 497028502 /nfs/dbraw/zinc/02/85/02/497028502.db2.gz IHTYDFVPUDQELW-RHSMWYFYSA-N 0 0 366.889 3.008 40 0 FGABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCCOC(C)C ZINC000222909350 497029177 /nfs/dbraw/zinc/02/91/77/497029177.db2.gz FKHNXOTUWPLLLF-MRXNPFEDSA-N 0 0 366.477 3.274 40 0 FGABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C ZINC000223048738 497030961 /nfs/dbraw/zinc/03/09/61/497030961.db2.gz AOGAYJCUGOQLQA-QZTJIDSGSA-N 0 0 358.511 3.046 40 0 FGABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000223059146 497032547 /nfs/dbraw/zinc/03/25/47/497032547.db2.gz ZIZKGQAMJSTVCT-HXUWFJFHSA-N 0 0 352.478 3.399 40 0 FGABRN COc1ccc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc2c1 ZINC000223099633 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497070993 /nfs/dbraw/zinc/07/09/93/497070993.db2.gz MKACIHCXNZZNMF-UHFFFAOYSA-N 0 0 369.490 3.304 40 0 FGABRN CC(C)n1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2sc1=O ZINC000225703501 497071988 /nfs/dbraw/zinc/07/19/88/497071988.db2.gz CWXOYJXAVDQNCU-UHFFFAOYSA-N 0 0 354.497 3.065 40 0 FGABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000225749095 497073409 /nfs/dbraw/zinc/07/34/09/497073409.db2.gz BPGXXTMYDWYDRP-IBGZPJMESA-N 0 0 350.459 3.255 40 0 FGABRN CCCCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 ZINC000225741896 497073604 /nfs/dbraw/zinc/07/36/04/497073604.db2.gz LUHRNJBYEYPPLH-UHFFFAOYSA-N 0 0 351.244 3.070 40 0 FGABRN CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 ZINC000225745835 497074181 /nfs/dbraw/zinc/07/41/81/497074181.db2.gz KSOSVCLKADCQRN-UHFFFAOYSA-N 0 0 364.401 3.125 40 0 FGABRN COc1ccc(CCCNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000225790021 497075334 /nfs/dbraw/zinc/07/53/34/497075334.db2.gz YODUKMFIWXWCDR-UHFFFAOYSA-N 0 0 363.479 3.232 40 0 FGABRN Cc1cccc(-c2noc(CNC(=S)Nc3ccc4c(c3)OCO4)n2)c1 ZINC000225814633 497075862 /nfs/dbraw/zinc/07/58/62/497075862.db2.gz ZETFNUJCEKPAEM-UHFFFAOYSA-N 0 0 368.418 3.260 40 0 FGABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CCCC1 ZINC000225820061 497076465 /nfs/dbraw/zinc/07/64/65/497076465.db2.gz MXHOZDBCFQQVHL-UHFFFAOYSA-N 0 0 350.216 3.054 40 0 FGABRN CCOCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cn1 ZINC000225900138 497078096 /nfs/dbraw/zinc/07/80/96/497078096.db2.gz KHEOIYHJTHPYDX-HNAYVOBHSA-N 0 0 350.459 3.421 40 0 FGABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1cc(Cl)ccc1C ZINC000225881727 497078301 /nfs/dbraw/zinc/07/83/01/497078301.db2.gz UJZKXVBEBAONFN-UHFFFAOYSA-N 0 0 373.887 3.061 40 0 FGABRN COc1ccc(-c2nnsc2C(=O)N(C)c2cccc(OC)c2)cc1 ZINC000225887759 497078324 /nfs/dbraw/zinc/07/83/24/497078324.db2.gz BRBVYDFMJOPZLO-UHFFFAOYSA-N 0 0 355.419 3.499 40 0 FGABRN COc1cccc(OC)c1CNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000225900142 497078854 /nfs/dbraw/zinc/07/88/54/497078854.db2.gz LLFXAHDLGUQFHQ-UHFFFAOYSA-N 0 0 356.353 3.428 40 0 FGABRN CN(C(=O)NCc1cn2c(n1)CCCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000265237643 497079166 /nfs/dbraw/zinc/07/91/66/497079166.db2.gz OEGZFPCAFAWVNM-LJQANCHMSA-N 0 0 367.497 3.030 40 0 FGABRN CN(C)C(=O)C1(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000225925540 497079789 /nfs/dbraw/zinc/07/97/89/497079789.db2.gz QRBSAFKQLUXAHF-UHFFFAOYSA-N 0 0 356.344 3.172 40 0 FGABRN Cc1ccsc1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 ZINC000253598239 497344609 /nfs/dbraw/zinc/34/46/09/497344609.db2.gz DAIBHSITPZMWEZ-HNNXBMFYSA-N 0 0 358.463 3.152 40 0 FGABRN Cc1ccc(N2C[C@H](C(=O)NCCCc3ccccc3)CC2=O)cc1C ZINC000243405101 497359628 /nfs/dbraw/zinc/35/96/28/497359628.db2.gz MPHQNHFJUBAKGW-LJQANCHMSA-N 0 0 350.462 3.405 40 0 FGABRN Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)CCC(C)C)C[C@@H]23)cs1 ZINC000575404756 505973131 /nfs/dbraw/zinc/97/31/31/505973131.db2.gz DGZBDGIPXSTBDA-SZMVWBNQSA-N 0 0 366.527 3.268 40 0 FGABRN Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1 ZINC000575405438 505973197 /nfs/dbraw/zinc/97/31/97/505973197.db2.gz 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CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N4CCC(C)CC4)cc3)C(=O)[C@@H]2C1 ZINC000408689398 499593768 /nfs/dbraw/zinc/59/37/68/499593768.db2.gz YWGIRPIJAJPUIF-RBUKOAKNSA-N 0 0 366.461 3.404 40 0 FGABRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)NCc3ccccc3)C(=O)[C@H]2C1 ZINC000408684612 499593846 /nfs/dbraw/zinc/59/38/46/499593846.db2.gz PGNPYZAMTWWPSK-HKUYNNGSSA-N 0 0 374.440 3.462 40 0 FGABRN CCOc1ccc(CNC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000408706655 499594134 /nfs/dbraw/zinc/59/41/34/499594134.db2.gz BWXIKIZQTXWNNP-UHFFFAOYSA-N 0 0 360.498 3.423 40 0 FGABRN CCCOCc1nn(CCC(F)(F)F)cc1I ZINC000408716784 499594416 /nfs/dbraw/zinc/59/44/16/499594416.db2.gz QXQJFXQXNJLQON-UHFFFAOYSA-N 0 0 362.133 3.367 40 0 FGABRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408731069 499594505 /nfs/dbraw/zinc/59/45/05/499594505.db2.gz KGPVRPDUEXHPRZ-INIZCTEOSA-N 0 0 364.467 3.334 40 0 FGABRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000408738206 499594620 /nfs/dbraw/zinc/59/46/20/499594620.db2.gz 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/nfs/dbraw/zinc/56/84/51/507568451.db2.gz VWKQYEVVVWPJMV-LJQANCHMSA-N 0 0 354.429 3.093 40 0 FGABRN Cc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)no1 ZINC000585104715 507570166 /nfs/dbraw/zinc/57/01/66/507570166.db2.gz LMCOZZMBBBCDQL-KRWDZBQOSA-N 0 0 357.454 3.218 40 0 FGABRN O=C(NC1CC2(C1)CCN(C(=O)c1ccsc1)CC2)c1cscn1 ZINC000585104706 507570615 /nfs/dbraw/zinc/57/06/15/507570615.db2.gz RPIHXVDXFHDKBL-UHFFFAOYSA-N 0 0 361.492 3.019 40 0 FGABRN O=C(c1cc(F)cc(F)c1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585105375 507572780 /nfs/dbraw/zinc/57/27/80/507572780.db2.gz VOKWKUJUEYVDFZ-MRXNPFEDSA-N 0 0 362.401 3.139 40 0 FGABRN CCOC[C@@H]1CN(C(=O)C2CC(F)C2)Cc2cnn(CC3CCCC3)c21 ZINC000585110755 507574408 /nfs/dbraw/zinc/57/44/08/507574408.db2.gz AAWBSAXJGGTFLI-NXYGQSRBSA-N 0 0 363.477 3.284 40 0 FGABRN Cc1ccccc1CN1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585111974 507576602 /nfs/dbraw/zinc/57/66/02/507576602.db2.gz JOKZAEFPBMQFEU-UHFFFAOYSA-N 0 0 353.466 3.412 40 0 FGABRN CNc1cc([C@H]2CCCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)ccn1 ZINC000585181506 507580123 /nfs/dbraw/zinc/58/01/23/507580123.db2.gz WUHYUPNUQIFQND-HNNXBMFYSA-N 0 0 352.413 3.185 40 0 FGABRN CCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccccc1-c1cc(F)cc(F)c1 ZINC000585169033 507580648 /nfs/dbraw/zinc/58/06/48/507580648.db2.gz UMQADANVGNNFHQ-IBGZPJMESA-N 0 0 372.415 3.254 40 0 FGABRN Cn1cc(/C=C/C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CCO3)cn1 ZINC000585290289 507585740 /nfs/dbraw/zinc/58/57/40/507585740.db2.gz QFPQLVDRJYWOAD-DUIUGDAFSA-N 0 0 365.477 3.389 40 0 FGABRN O=C(C=Cc1ccco1)N1CCC[C@@H]1c1nccnc1Nc1ccccn1 ZINC000585292447 507586712 /nfs/dbraw/zinc/58/67/12/507586712.db2.gz MKTRWCWYSZRHDC-ROJDOSBLSA-N 0 0 361.405 3.007 40 0 FGABRN Cc1c(CN2CC3(C2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cnn1C ZINC000257297001 533843742 /nfs/dbraw/zinc/84/37/42/533843742.db2.gz RFJAVRWUSDWVJK-AZUAARDMSA-N 0 0 367.493 3.479 40 0 FGABRN Cc1ccc(C[C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)cn1 ZINC000257312264 534131298 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FGABRN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000257316856 223063651 /nfs/dbraw/zinc/06/36/51/223063651.db2.gz VHHUIZYRGWXEOY-UHFFFAOYSA-N 0 0 363.421 3.163 40 0 FGABRN Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257324501 223065933 /nfs/dbraw/zinc/06/59/33/223065933.db2.gz WOXYSDGUDJIXJA-SFHVURJKSA-N 0 0 361.445 3.270 40 0 FGABRN Cn1nc(C(=O)N2CCC[C@@H]2CCc2ccncc2)cc1C(F)(F)F ZINC000257325203 223065972 /nfs/dbraw/zinc/06/59/72/223065972.db2.gz WRYDQFQURUKZDM-CYBMUJFWSA-N 0 0 352.360 3.071 40 0 FGABRN Cc1cnc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257332510 223069205 /nfs/dbraw/zinc/06/92/05/223069205.db2.gz XXPGGRWBYPWRGO-QGZVFWFLSA-N 0 0 360.421 3.296 40 0 FGABRN O=C(Cn1cccn1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257325380 223066921 /nfs/dbraw/zinc/06/69/21/223066921.db2.gz WSSOICVVYIQTQT-QGZVFWFLSA-N 0 0 370.840 3.479 40 0 FGABRN Cc1cccc(C)c1NC(=O)CN1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257331625 223067654 /nfs/dbraw/zinc/06/76/54/223067654.db2.gz 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ZINC000012481633 220000203 /nfs/dbraw/zinc/00/02/03/220000203.db2.gz BFMNKWQCKWNQRL-UHFFFAOYSA-N 0 0 374.448 3.241 40 0 FGABRN CC[C@H](C)C(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000012643302 220015698 /nfs/dbraw/zinc/01/56/98/220015698.db2.gz MUIBIURATYJYCH-SDDRHHMPSA-N 0 0 370.544 3.404 40 0 FGABRN COc1ccc(F)c(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[n-]3)C2)c1 ZINC000012745844 220023217 /nfs/dbraw/zinc/02/32/17/220023217.db2.gz LHAXFBWUCHXRPL-AWEZNQCLSA-N 0 0 370.428 3.189 40 0 FGABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl ZINC000013583208 220077579 /nfs/dbraw/zinc/07/75/79/220077579.db2.gz CVYXDECVOCORNP-UHFFFAOYSA-N 0 0 366.870 3.459 40 0 FGABRN Cc1nc(NC(=O)CSc2nc3ccccc3o2)nc2c1C(=O)CCC2 ZINC000013635897 220079992 /nfs/dbraw/zinc/07/99/92/220079992.db2.gz QZPCWFZDKVCTGG-UHFFFAOYSA-N 0 0 368.418 3.176 40 0 FGABRN O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000013668283 220081903 /nfs/dbraw/zinc/08/19/03/220081903.db2.gz OHBXQSNTNJWLFI-UHFFFAOYSA-N 0 0 367.854 3.022 40 0 FGABRN CC[C@H](C(=O)Nc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716076 220089419 /nfs/dbraw/zinc/08/94/19/220089419.db2.gz XJXYHTKKQCRHQG-GOSISDBHSA-N 0 0 360.479 3.487 40 0 FGABRN CC[C@@H](C(=O)N1CCC(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716224 220089450 /nfs/dbraw/zinc/08/94/50/220089450.db2.gz ILMFIYOJPKMUQP-SFHVURJKSA-N 0 0 366.527 3.107 40 0 FGABRN CC[C@@H](C(=O)NCCC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716614 220089816 /nfs/dbraw/zinc/08/98/16/220089816.db2.gz PKTJMJQLEIKEJY-KRWDZBQOSA-N 0 0 354.516 3.010 40 0 FGABRN COc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000014003309 220102855 /nfs/dbraw/zinc/10/28/55/220102855.db2.gz IGGXHDJKKAKPFT-UHFFFAOYSA-N 0 0 364.401 3.399 40 0 FGABRN Cn1c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000014397750 220122945 /nfs/dbraw/zinc/12/29/45/220122945.db2.gz WDRHDPWUOCEARA-UHFFFAOYSA-N 0 0 373.840 3.328 40 0 FGABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccccc4)nn32)c1 ZINC000014607311 220127255 /nfs/dbraw/zinc/12/72/55/220127255.db2.gz YFGAGORZJLVSBI-MRXNPFEDSA-N 0 0 361.405 3.084 40 0 FGABRN O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015638585 220157711 /nfs/dbraw/zinc/15/77/11/220157711.db2.gz XOHLTBHCLBEMKV-OAHLLOKOSA-N 0 0 372.852 3.430 40 0 FGABRN COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015675710 220160308 /nfs/dbraw/zinc/16/03/08/220160308.db2.gz LQMAHINWFKQKCY-KRWDZBQOSA-N 0 0 353.426 3.224 40 0 biogenic,in-vitro FGABRN Cc1nn(Cc2ccccc2C)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000017074428 220204160 /nfs/dbraw/zinc/20/41/60/220204160.db2.gz ZGORRLFBKBVABJ-NBMJBFSESA-N 0 0 361.445 3.168 40 0 FGABRN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)CC1CCCCC1)C2 ZINC000019017189 220233319 /nfs/dbraw/zinc/23/33/19/220233319.db2.gz FMIGFEHEIVNGBN-IBGZPJMESA-N 0 0 370.497 3.015 40 0 FGABRN Cc1cc(C(F)F)nn1CC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019119182 220235442 /nfs/dbraw/zinc/23/54/42/220235442.db2.gz PSSFULLQGRKJRV-AWEZNQCLSA-N 0 0 373.407 3.412 40 0 FGABRN CC(C)C(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019086225 220235945 /nfs/dbraw/zinc/23/59/45/220235945.db2.gz FCYPTVYPQJZZAC-UHFFFAOYSA-N 0 0 363.343 3.082 40 0 FGABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)c2ccccc2F)on1 ZINC000019121526 220238231 /nfs/dbraw/zinc/23/82/31/220238231.db2.gz SWDCNQJPTPJOJZ-MRXNPFEDSA-N 0 0 354.385 3.500 40 0 FGABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)c2ccc(C)nc2)on1 ZINC000019214865 220239012 /nfs/dbraw/zinc/23/90/12/220239012.db2.gz RSJXWCKGAZUAEL-INIZCTEOSA-N 0 0 351.410 3.064 40 0 FGABRN Cc1csc2c(C3CCN(C(=O)CCCn4ccnc4)CC3)nc(C)n12 ZINC000019240544 220243381 /nfs/dbraw/zinc/24/33/81/220243381.db2.gz UDCSUIAVVCXPFM-UHFFFAOYSA-N 0 0 371.510 3.396 40 0 FGABRN Cc1nccc(-c2cccc(-c3noc(CN4C[C@@H](C)O[C@H](C)C4)n3)c2)n1 ZINC000019287582 220245394 /nfs/dbraw/zinc/24/53/94/220245394.db2.gz YCNMAOZHXGDWSK-ZIAGYGMSSA-N 0 0 365.437 3.111 40 0 FGABRN O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292913 220245508 /nfs/dbraw/zinc/24/55/08/220245508.db2.gz GZIMQZMYMWBDNY-ZDUSSCGKSA-N 0 0 361.392 3.225 40 0 FGABRN Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccnc3)ccc21 ZINC000019289724 220247116 /nfs/dbraw/zinc/24/71/16/220247116.db2.gz KTBSGQWOVAXLQE-UHFFFAOYSA-N 0 0 372.384 3.373 40 0 FGABRN CC(C)[C@H](NC(=O)c1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445653 220255617 /nfs/dbraw/zinc/25/56/17/220255617.db2.gz FPADQKXRFGPQMA-SFHVURJKSA-N 0 0 366.396 3.098 40 0 FGABRN C[C@H](CCc1ccc(F)cc1)NC(=O)c1cccc(Cn2cncn2)c1 ZINC000019455761 220258063 /nfs/dbraw/zinc/25/80/63/220258063.db2.gz ZKCLWIHZARSLRX-OAHLLOKOSA-N 0 0 352.413 3.217 40 0 FGABRN COc1ccc(OCC2CCN(C(=O)Cn3ccnc3C(C)C)CC2)cc1 ZINC000019454352 220258319 /nfs/dbraw/zinc/25/83/19/220258319.db2.gz SJULLUNWOXYLPJ-UHFFFAOYSA-N 0 0 371.481 3.333 40 0 FGABRN CCCN(C(=O)c1scnc1C)c1nc2c(s1)CCc1c-2cnn1C ZINC000019502491 220263455 /nfs/dbraw/zinc/26/34/55/220263455.db2.gz FRVVVEQIAVXIEK-UHFFFAOYSA-N 0 0 373.507 3.464 40 0 FGABRN 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Cc1ccc(CN2CCC[C@@]23CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096203090 222074939 /nfs/dbraw/zinc/07/49/39/222074939.db2.gz BXFNTASPYBLHDX-IBGZPJMESA-N 0 0 360.479 3.017 40 0 FGABRN O=C(COc1ccccc1)N1CCC2(C[C@H](OCC3CCC3)CO2)CC1 ZINC000096205987 222075782 /nfs/dbraw/zinc/07/57/82/222075782.db2.gz CESIPPUUWCTYHZ-IBGZPJMESA-N 0 0 359.466 3.032 40 0 FGABRN COc1cccc(N[C@H]2COC3(C2)CCN(C(=O)c2cscn2)CC3)c1 ZINC000096221431 222085029 /nfs/dbraw/zinc/08/50/29/222085029.db2.gz NOXSRLJXGAGJPW-OAHLLOKOSA-N 0 0 373.478 3.028 40 0 FGABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096222272 222086041 /nfs/dbraw/zinc/08/60/41/222086041.db2.gz TWVSZXZNCHXKBW-GHTZIAJQSA-N 0 0 354.450 3.358 40 0 FGABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096222270 222086097 /nfs/dbraw/zinc/08/60/97/222086097.db2.gz TWVSZXZNCHXKBW-RXVVDRJESA-N 0 0 354.450 3.358 40 0 FGABRN C[C@@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096521286 222123544 /nfs/dbraw/zinc/12/35/44/222123544.db2.gz IKLYPUHVXOCNME-UWVGGRQHSA-N 0 0 362.072 3.183 40 0 FGABRN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)CC1 ZINC000100220447 222239573 /nfs/dbraw/zinc/23/95/73/222239573.db2.gz OGGNQFHWTWPLFK-SOLBZPMBSA-N 0 0 354.454 3.340 40 0 FGABRN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)CC1 ZINC000100220303 222239798 /nfs/dbraw/zinc/23/97/98/222239798.db2.gz FBBDBNOSCJZVNM-OIISXLGYSA-N 0 0 369.465 3.247 40 0 FGABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000100722352 222250367 /nfs/dbraw/zinc/25/03/67/222250367.db2.gz NRGSUXPIXSRJFZ-QRVBRYPASA-N 0 0 360.369 3.331 40 0 FGABRN O=C1C[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1F ZINC000101111295 222261749 /nfs/dbraw/zinc/26/17/49/222261749.db2.gz JXCLTRSNAVFZSS-CYBMUJFWSA-N 0 0 363.186 3.332 40 0 FGABRN Cn1c2ccccc2s/c1=N/C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000103040113 222319589 /nfs/dbraw/zinc/31/95/89/222319589.db2.gz BPPFPGOFRBOHQN-NIVDNSEKSA-N 0 0 371.487 3.033 40 0 FGABRN COc1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000105224573 222366762 /nfs/dbraw/zinc/36/67/62/222366762.db2.gz ICGJCLIZKOUQIV-UHFFFAOYSA-N 0 0 370.434 3.240 40 0 FGABRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000113950277 222502094 /nfs/dbraw/zinc/50/20/94/222502094.db2.gz HNEOEXADRJRPNE-INIZCTEOSA-N 0 0 372.490 3.470 40 0 FGABRN CCOc1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1 ZINC000113945368 222502259 /nfs/dbraw/zinc/50/22/59/222502259.db2.gz HNTPHHYHCUPNJO-UHFFFAOYSA-N 0 0 362.451 3.124 40 0 FGABRN COc1ccc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000005392503 263341140 /nfs/dbraw/zinc/34/11/40/263341140.db2.gz PLOWLKXSSQRGBQ-UHFFFAOYSA-N 0 0 368.477 3.212 40 0 FGABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2O)c(Cl)c1 ZINC000005613752 263342105 /nfs/dbraw/zinc/34/21/05/263342105.db2.gz FLHBMMRZEWWMCZ-UHFFFAOYSA-N 0 0 350.827 3.246 40 0 FGABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 ZINC000010112385 263362951 /nfs/dbraw/zinc/36/29/51/263362951.db2.gz FXMKYTWEPCSFKO-UHFFFAOYSA-N 0 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