smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000020478215 202043918 /nfs/dbraw/zinc/04/39/18/202043918.db2.gz YCBRIMHJFAHOKS-UHFFFAOYSA-N 0 0 343.446 3.053 40 10 EGCBRN CN1CCS/C1=C/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000033286085 212916344 /nfs/dbraw/zinc/91/63/44/212916344.db2.gz FRMWPDYHAMVPCH-FNCQTZNRSA-N 0 0 348.518 3.451 40 10 EGCBRN C[C@@H]1CN(c2ccc(CNC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000055529632 132195353 /nfs/dbraw/zinc/19/53/53/132195353.db2.gz MMFJUOHYXKJLIA-ZIAGYGMSSA-N 0 0 334.435 3.246 40 10 EGCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001276889 452650439 /nfs/dbraw/zinc/65/04/39/452650439.db2.gz BKGPFKLPSMIHOR-CLUBXZQOSA-N 0 0 341.841 3.103 40 10 EGCBRN Cc1oc2c(c1C(=O)NCc1ccccc1)C(=O)c1ccccc1C2=O ZINC000001236043 452648838 /nfs/dbraw/zinc/64/88/38/452648838.db2.gz AWUCWQLGRLSERT-UHFFFAOYSA-N 0 0 345.354 3.293 40 10 EGCBRN COc1ccccc1-c1nnc2n1N[C@H](c1ccccc1O)S2 ZINC000003843174 452785012 /nfs/dbraw/zinc/78/50/12/452785012.db2.gz RYWBJGKUZAPHMV-HNNXBMFYSA-N 0 0 326.381 3.007 40 10 EGCBRN Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCO)c2ccccc21 ZINC000004117562 452793606 /nfs/dbraw/zinc/79/36/06/452793606.db2.gz HKUSWQOAPCAQJN-ZHACJKMWSA-N 0 0 345.402 3.051 40 10 EGCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 ZINC000005371709 452863923 /nfs/dbraw/zinc/86/39/23/452863923.db2.gz NAXOMNUEFOKXMY-XFXZXTDPSA-N 0 0 335.450 3.473 40 10 EGCBRN CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)cn1 ZINC000006490266 452946924 /nfs/dbraw/zinc/94/69/24/452946924.db2.gz OSZGRZHIRDELLS-LFIBNONCSA-N 0 0 332.363 3.331 40 10 EGCBRN CCOc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000013547134 453469736 /nfs/dbraw/zinc/46/97/36/453469736.db2.gz PLPFUUPGKQVIHW-OJNRTJSBSA-N 0 0 349.477 3.466 40 10 EGCBRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1F ZINC000021963235 453684668 /nfs/dbraw/zinc/68/46/68/453684668.db2.gz WGMALVNPSYSUJB-UHFFFAOYSA-N 0 0 346.377 3.074 40 10 EGCBRN COc1ccc(N2CCC(N(C)C(=O)CC[C@H]3CCCO3)CC2)cc1 ZINC000079335666 454398889 /nfs/dbraw/zinc/39/88/89/454398889.db2.gz RZISWBNXFJPRLN-LJQANCHMSA-N 0 0 346.471 3.082 40 10 EGCBRN Cc1cccc(C)c1OC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000195543274 455981997 /nfs/dbraw/zinc/98/19/97/455981997.db2.gz XBJCXHJOLJLRSW-UHFFFAOYSA-N 0 0 338.451 3.498 40 10 EGCBRN CCOc1ccc(-n2c(C)cc([C@@H]3[NH2+]C[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408977433 457591544 /nfs/dbraw/zinc/59/15/44/457591544.db2.gz IXIHXDRPUPBPJJ-IAGOWNOFSA-N 0 0 346.452 3.281 40 10 EGCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3cccnc3)S2)cc1 ZINC000035648161 1291393675 /nfs/dbraw/zinc/39/36/75/1291393675.db2.gz JSYXBJDYVZOQTO-OQLLNIDSSA-N 0 0 338.392 3.122 40 10 EGCBRN CCOc1cccc(CN[C@H](c2nnc(C)[nH]2)c2ccccc2)c1O ZINC000069168836 202271384 /nfs/dbraw/zinc/27/13/84/202271384.db2.gz IMJLYAXRMNVTBG-KRWDZBQOSA-N 0 0 338.411 3.097 40 10 EGCBRN CCCCN1C(=O)/C(=C\c2cccc(OC)c2)C(C(=O)OC)=C1C ZINC000006428037 201362001 /nfs/dbraw/zinc/36/20/01/201362001.db2.gz HJTKIBBSOMDKPI-VBKFSLOCSA-N 0 0 329.396 3.168 40 10 EGCBRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1C(F)(F)F ZINC000016957102 203764454 /nfs/dbraw/zinc/76/44/54/203764454.db2.gz XMGUKYDBNZURTF-XFXZXTDPSA-N 0 0 342.342 3.008 40 10 EGCBRN CC(=O)NCCc1c[nH]c(N=Nc2ccc(Br)cc2)n1 ZINC000104182382 204100015 /nfs/dbraw/zinc/10/00/15/204100015.db2.gz GGZSHVUZOINSCW-HNENSFHCSA-N 0 0 336.193 3.266 40 10 EGCBRN O=C(c1ccc2nc3ccc4ccccc4c3nc2c1)N1CCOCC1 ZINC000408721217 257891106 /nfs/dbraw/zinc/89/11/06/257891106.db2.gz FEIQAXBLARHLHL-UHFFFAOYSA-N 0 0 343.386 3.409 40 10 EGCBRN C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C1 ZINC000000573410 452628462 /nfs/dbraw/zinc/62/84/62/452628462.db2.gz ZJCPGYMEEDXTFE-SHLUWWQESA-N 0 0 330.409 3.118 40 10 EGCBRN C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=S ZINC000033736384 453916466 /nfs/dbraw/zinc/91/64/66/453916466.db2.gz KETLLRSSYQMAJD-ZROIWOOFSA-N 0 0 335.450 3.399 40 10 EGCBRN COc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000069158069 454084029 /nfs/dbraw/zinc/08/40/29/454084029.db2.gz IJGXDRUJIVBJBE-UHFFFAOYSA-N 0 0 344.842 3.240 40 10 EGCBRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000078979580 454347959 /nfs/dbraw/zinc/34/79/59/454347959.db2.gz YPPNAQPTRVZBML-QZTJIDSGSA-N 0 0 340.423 3.177 40 10 EGCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NC[C@H]1CCCO1 ZINC000103918050 454569913 /nfs/dbraw/zinc/56/99/13/454569913.db2.gz PHCDYNINYHYXSC-VVZNPABPSA-N 0 0 327.428 3.232 40 10 EGCBRN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000107912153 454776083 /nfs/dbraw/zinc/77/60/83/454776083.db2.gz GWDYFBQOUXABKP-XYOKQWHBSA-N 0 0 333.365 3.460 40 10 EGCBRN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC2CC2)cc1 ZINC000112114056 454880884 /nfs/dbraw/zinc/88/08/84/454880884.db2.gz LNSASMSXZGGCBD-RGEXLXHISA-N 0 0 347.418 3.472 40 10 EGCBRN Cc1n[nH]c(C)c1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000252488190 455810292 /nfs/dbraw/zinc/81/02/92/455810292.db2.gz INDSKDGRMFSXNR-UHFFFAOYSA-N 0 0 339.395 3.097 40 10 EGCBRN CC(C)(C)c1cnc(S[C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000253423827 455844663 /nfs/dbraw/zinc/84/46/63/455844663.db2.gz GJNNYRSGFAPUTA-GFCCVEGCSA-N 0 0 340.514 3.313 40 10 EGCBRN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O ZINC000014688348 574413611 /nfs/dbraw/zinc/41/36/11/574413611.db2.gz LCAZOMIGFDQMNC-OYRIPWCXSA-N 0 0 346.423 3.258 40 10 endogenous,in-man EGCBRN COc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1O ZINC000013547474 201899766 /nfs/dbraw/zinc/89/97/66/201899766.db2.gz MAHCYEYRFQYWEG-KAMYIIQDSA-N 0 0 332.425 3.247 40 10 EGCBRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1C ZINC000021935435 212265616 /nfs/dbraw/zinc/26/56/16/212265616.db2.gz GFZDIMONCRPADF-UHFFFAOYSA-N 0 0 328.412 3.008 40 10 EGCBRN CCOc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1 ZINC000020507190 212141650 /nfs/dbraw/zinc/14/16/50/212141650.db2.gz NQLTZCAYAOFPBJ-UHFFFAOYSA-N 0 0 342.439 3.008 40 10 EGCBRN Cc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000041084259 280753261 /nfs/dbraw/zinc/75/32/61/280753261.db2.gz JCDCQDDVTURYMW-PYDVBCTCSA-N 0 0 347.403 3.057 40 10 EGCBRN O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113261 453275771 /nfs/dbraw/zinc/27/57/71/453275771.db2.gz YKVZPORYDRFWLD-UHFFFAOYSA-N 0 0 344.480 3.297 40 10 EGCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C1/C(=O)Nc2ccccc21 ZINC000016694197 453618953 /nfs/dbraw/zinc/61/89/53/453618953.db2.gz BYRLMLBXPPTGFN-FOCLMDBBSA-N 0 0 337.766 3.468 40 10 EGCBRN NS(=O)(=O)c1ccc(NN=C2C=CC(=O)c3ncccc32)cc1 ZINC000096425650 454338253 /nfs/dbraw/zinc/33/82/53/454338253.db2.gz JKGWEZMHRXGMLG-VHEBQXMUSA-N 0 0 328.353 3.003 40 10 EGCBRN O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830584 454936208 /nfs/dbraw/zinc/93/62/08/454936208.db2.gz BILUDTKTTDVOTC-LCYFTJDESA-N 0 0 343.389 3.396 40 10 EGCBRN CS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000225403320 456080415 /nfs/dbraw/zinc/08/04/15/456080415.db2.gz IVGUWQUFPQNBBF-UHFFFAOYSA-N 0 0 344.358 3.254 40 10 EGCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)[nH]1 ZINC000032109988 212791461 /nfs/dbraw/zinc/79/14/61/212791461.db2.gz UYVOOYFFZYIDGX-NVNXTCNLSA-N 0 0 329.787 3.378 40 10 EGCBRN Cc1cc(O)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C ZINC000026641562 212528348 /nfs/dbraw/zinc/52/83/48/212528348.db2.gz FEWHMHYZVVFUNQ-UHFFFAOYSA-N 0 0 342.414 3.106 40 10 EGCBRN CCCN1C(=O)/C(=C\c2ccccc2OCC)C(C(=O)OC)=C1C ZINC000002648441 452712975 /nfs/dbraw/zinc/71/29/75/452712975.db2.gz DYVLEKCBWNYZQH-QINSGFPZSA-N 0 0 329.396 3.168 40 10 EGCBRN COc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1OC ZINC000004134987 452794526 /nfs/dbraw/zinc/79/45/26/452794526.db2.gz WTYAYASEROULGA-OQLLNIDSSA-N 0 0 341.392 3.181 40 10 EGCBRN COc1ccc(N2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000005094416 452836702 /nfs/dbraw/zinc/83/67/02/452836702.db2.gz OACQPPAZXZECAL-UHFFFAOYSA-N 0 0 338.451 3.203 40 10 EGCBRN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000018176480 453645988 /nfs/dbraw/zinc/64/59/88/453645988.db2.gz QVEQGXSILYWOOR-PDGQHHTCSA-N 0 0 334.379 3.364 40 10 EGCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(F)c1 ZINC000033615517 453915824 /nfs/dbraw/zinc/91/58/24/453915824.db2.gz SBYMVYMQBNRXGX-WJDWOHSUSA-N 0 0 329.371 3.441 40 10 EGCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059489945 454259991 /nfs/dbraw/zinc/25/99/91/454259991.db2.gz LAAKIPGWBKXJDT-UHFFFAOYSA-N 0 0 337.715 3.002 40 10 EGCBRN O=C1NC(=S)S/C1=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000113830413 454935871 /nfs/dbraw/zinc/93/58/71/454935871.db2.gz AXBYXXFHRYXDHJ-XVNBXDOJSA-N 0 0 335.193 3.390 40 10 EGCBRN CCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O ZINC000005764867 535346675 /nfs/dbraw/zinc/34/66/75/535346675.db2.gz WCGVXAJXGDHCCU-FOWTUZBSSA-N 0 0 346.452 3.278 40 10 EGCBRN COc1ccccc1CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000023192390 212359574 /nfs/dbraw/zinc/35/95/74/212359574.db2.gz JVKGDJFALMTADT-UHFFFAOYSA-N 0 0 349.434 3.470 40 10 EGCBRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccccc1 ZINC000021871348 212257100 /nfs/dbraw/zinc/25/71/00/212257100.db2.gz CKSVAFUBFCDDPJ-UHFFFAOYSA-N 0 0 332.469 3.105 40 10 EGCBRN COc1ccc(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)cc1 ZINC000096663346 218886110 /nfs/dbraw/zinc/88/61/10/218886110.db2.gz WBFNZWYWRXCNCS-GDNBJRDFSA-N 0 0 326.377 3.483 40 10 EGCBRN CC1=CN2C(=NC(=O)/C(=C\c3ccc(Br)o3)C2=N)S1 ZINC000041083741 278503566 /nfs/dbraw/zinc/50/35/66/278503566.db2.gz BDQNTQDWBXYDIM-DORBXEORSA-N 0 0 338.186 3.209 40 10 EGCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000001769029 452677305 /nfs/dbraw/zinc/67/73/05/452677305.db2.gz HZTQRMPYZITWJE-UVTDQMKNSA-N 0 0 349.477 3.403 40 10 EGCBRN COC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000005459256 452874440 /nfs/dbraw/zinc/87/44/40/452874440.db2.gz CGICFPQGDMJAMH-YGOOLXEZSA-N 0 0 333.434 3.007 40 10 EGCBRN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc12 ZINC000409399634 457598531 /nfs/dbraw/zinc/59/85/31/457598531.db2.gz KYFJYZMPPCVWQS-AQTBWJFISA-N 0 0 344.370 3.310 40 10 EGCBRN O=C1NC(=Nc2ccccn2)SC1=Cc1cnc2ccccc2n1 ZINC000054361173 214232683 /nfs/dbraw/zinc/23/26/83/214232683.db2.gz GMUFBSKXWFWRFP-ZROIWOOFSA-N 0 0 333.376 3.107 40 10 EGCBRN Cc1ccc(/N=N\N(C)C)cc1NC(=O)NCC(=O)OC(C)(C)C ZINC000104234693 204102402 /nfs/dbraw/zinc/10/24/02/204102402.db2.gz WAHCPDQLLUWZJA-VXPUYCOJSA-N 0 0 335.408 3.019 40 10 EGCBRN Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 ZINC000003460575 205664017 /nfs/dbraw/zinc/66/40/17/205664017.db2.gz HJUDFJCHSCLCKY-UHFFFAOYSA-N 0 0 328.412 3.166 40 10 EGCBRN CC[C@@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc21)c1ccccc1O ZINC000096417842 218780137 /nfs/dbraw/zinc/78/01/37/218780137.db2.gz AYDALKFXJSWTEK-OAHLLOKOSA-N 0 0 340.354 3.254 40 10 EGCBRN CCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2sccc2C)SC1=S ZINC000001239064 276284570 /nfs/dbraw/zinc/28/45/70/276284570.db2.gz HMXILQZGSDLPAZ-MDXIRLPMSA-N 0 0 341.479 3.209 40 10 EGCBRN Cc1ccc2c(c1NC(=O)c1ccncc1)C(=O)c1ccccc1C2=O ZINC000003847597 281136498 /nfs/dbraw/zinc/13/64/98/281136498.db2.gz DLWMJHQGXKJBSP-UHFFFAOYSA-N 0 0 342.354 3.418 40 10 EGCBRN COc1ccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)cc1 ZINC000003843156 452785312 /nfs/dbraw/zinc/78/53/12/452785312.db2.gz YFWMWMBWWJOXBM-OAHLLOKOSA-N 0 0 326.381 3.007 40 10 EGCBRN COc1ccc(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1 ZINC000023239279 453706938 /nfs/dbraw/zinc/70/69/38/453706938.db2.gz KPDBDAZFMRHLNN-UHFFFAOYSA-N 0 0 336.435 3.076 40 10 EGCBRN O=C1NC(=S)S/C1=C\c1csc(COc2ccccc2)n1 ZINC000060421410 454288791 /nfs/dbraw/zinc/28/87/91/454288791.db2.gz CIIAQYPYMYQREE-WDZFZDKYSA-N 0 0 334.447 3.211 40 10 EGCBRN O=c1/c(=C/c2ccc(N3CCCC3)cc2)sc2nc3ccccc3n12 ZINC000144127329 454846872 /nfs/dbraw/zinc/84/68/72/454846872.db2.gz KKNGXYJIORANMA-AQTBWJFISA-N 0 0 347.443 3.057 40 10 EGCBRN Cn1cc(N2CC[C@H](Sc3ncc(C(C)(C)C)s3)C2=O)cn1 ZINC000164015262 454871990 /nfs/dbraw/zinc/87/19/90/454871990.db2.gz YWKKAZVBNPCHPO-NSHDSACASA-N 0 0 336.486 3.072 40 10 EGCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=S)NC2=O)c1C ZINC000408961616 457590451 /nfs/dbraw/zinc/59/04/51/457590451.db2.gz TWSFXBYASILCNZ-MHWRWJLKSA-N 0 0 339.464 3.310 40 10 EGCBRN COCCCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000409241195 457597050 /nfs/dbraw/zinc/59/70/50/457597050.db2.gz JIJCVKVKEQLNSQ-ANSBUGDOSA-N 0 0 346.452 3.382 40 10 EGCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 ZINC000035040265 1291391120 /nfs/dbraw/zinc/39/11/20/1291391120.db2.gz NAXOMNUEFOKXMY-FMIVXFBMSA-N 0 0 335.450 3.473 40 10 EGCBRN Oc1c([C@H](c2cccs2)N2CCOCC2)ccc2cccnc21 ZINC000019790507 212067457 /nfs/dbraw/zinc/06/74/57/212067457.db2.gz CLIPMRZXGYNMOU-QGZVFWFLSA-N 0 0 326.421 3.424 40 10 EGCBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000000573245 206244613 /nfs/dbraw/zinc/24/46/13/206244613.db2.gz SLZBGRDHYXNFBT-ATVHPVEESA-N 0 0 335.359 3.439 40 10 EGCBRN COc1cccc(OC)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000010113500 257861490 /nfs/dbraw/zinc/86/14/90/257861490.db2.gz CZHBTOWIMPISSP-UHFFFAOYSA-N 0 0 340.423 3.234 40 10 EGCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1OC ZINC000006395089 452940803 /nfs/dbraw/zinc/94/08/03/452940803.db2.gz HMUKRGGROVONHO-VBKFSLOCSA-N 0 0 341.407 3.310 40 10 EGCBRN O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccn1 ZINC000019118593 453654418 /nfs/dbraw/zinc/65/44/18/453654418.db2.gz GJCCEKOJZYXYHZ-JLHYYAGUSA-N 0 0 327.434 3.352 40 10 EGCBRN Cc1ccc(N2NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c(C)c1 ZINC000059475176 454260643 /nfs/dbraw/zinc/26/06/43/454260643.db2.gz CREDKCZVHJXYJP-MHWRWJLKSA-N 0 0 331.375 3.246 40 10 EGCBRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 ZINC000079391073 454407442 /nfs/dbraw/zinc/40/74/42/454407442.db2.gz WULFMLRIVLQCOZ-UHFFFAOYSA-N 0 0 326.440 3.400 40 10 EGCBRN CN(C)c1ccc([C@@H]2CC(c3ccccc3O)=Nc3ncnn32)cc1 ZINC000111927274 454878426 /nfs/dbraw/zinc/87/84/26/454878426.db2.gz PDJNYTSIKIXXPY-KRWDZBQOSA-N 0 0 333.395 3.106 40 10 EGCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NC1CC1 ZINC000112110395 454880939 /nfs/dbraw/zinc/88/09/39/454880939.db2.gz KBCOPWMLUVIGSZ-WJDWOHSUSA-N 0 0 328.372 3.124 40 10 EGCBRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408781927 457588155 /nfs/dbraw/zinc/58/81/55/457588155.db2.gz DCIPQHXIHFLPMX-BQYQJAHWSA-N 0 0 327.384 3.178 40 10 EGCBRN CCn1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000409399614 457598758 /nfs/dbraw/zinc/59/87/58/457598758.db2.gz KTHXRQKNHRDCQQ-AQTBWJFISA-N 0 0 345.402 3.431 40 10 EGCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(O)c(O)c3)S2)cc1 ZINC000035644347 1291394092 /nfs/dbraw/zinc/39/40/92/1291394092.db2.gz NECVQCNYCJSPTK-OQLLNIDSSA-N 0 0 342.376 3.189 40 10 EGCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2[nH]c1=O ZINC000012585355 201855983 /nfs/dbraw/zinc/85/59/83/201855983.db2.gz OTXXLEJFOYBAES-ATVHPVEESA-N 0 0 329.359 3.334 40 10 EGCBRN Cc1ccc(/N=N\c2c(N)nn(C(=O)c3ccccc3N)c2N)cc1 ZINC000068602505 202968457 /nfs/dbraw/zinc/96/84/57/202968457.db2.gz IUJCAOAQQYTIAT-DQRAZIAOSA-N 0 0 335.371 3.042 40 10 EGCBRN CCOC(=O)C(=NNc1ccc(C)cc1Br)C(C)=O ZINC000104243195 204101087 /nfs/dbraw/zinc/10/10/87/204101087.db2.gz TWURBUNOBXNZFQ-KXEGMRRWSA-N 0 0 327.178 3.362 40 10 EGCBRN COCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000002115296 205609181 /nfs/dbraw/zinc/60/91/81/205609181.db2.gz WCDMXSHZYNAFCV-UHFFFAOYSA-N 0 0 348.402 3.198 40 10 biogenic EGCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1Cl ZINC000409002463 257883326 /nfs/dbraw/zinc/88/33/26/257883326.db2.gz UZSBKGJYILUEHO-KAMYIIQDSA-N 0 0 349.814 3.049 40 10 EGCBRN Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000408708603 257892248 /nfs/dbraw/zinc/89/22/48/257892248.db2.gz RCGVAKQAKLAGAS-INIZCTEOSA-N 0 0 339.439 3.290 40 10 EGCBRN CCCN1C(=O)/C(=C\c2ccc(SC)cc2)C(C(=O)OC)=C1C ZINC000002648526 452712068 /nfs/dbraw/zinc/71/20/68/452712068.db2.gz OITNIWKOXZHWAH-PTNGSMBKSA-N 0 0 331.437 3.491 40 10 EGCBRN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)Nc1cccc(Cl)c1 ZINC000005603864 452888472 /nfs/dbraw/zinc/88/84/72/452888472.db2.gz UMSUUXSWOUYAFX-UHFFFAOYSA-N 0 0 328.759 3.212 40 10 EGCBRN O=C1NC(=S)S/C1=C/c1cc(Cc2ccccc2)ccc1O ZINC000005774006 452902019 /nfs/dbraw/zinc/90/20/19/452902019.db2.gz 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/nfs/dbraw/zinc/25/92/27/454259227.db2.gz VVDRRPUUNGUOEB-UHFFFAOYSA-N 0 0 332.406 3.265 40 10 EGCBRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000078979575 454347936 /nfs/dbraw/zinc/34/79/36/454347936.db2.gz YPPNAQPTRVZBML-ROUUACIJSA-N 0 0 340.423 3.177 40 10 EGCBRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl ZINC000409189838 457596281 /nfs/dbraw/zinc/59/62/81/457596281.db2.gz UCCRLTMTODYNLY-NTEUORMPSA-N 0 0 329.787 3.270 40 10 EGCBRN COc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O ZINC000409133784 257877586 /nfs/dbraw/zinc/87/75/86/257877586.db2.gz RVSHHGICKUNGSM-PTNGSMBKSA-N 0 0 338.388 3.096 40 10 EGCBRN O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2ccccc21 ZINC000004896472 280331952 /nfs/dbraw/zinc/33/19/52/280331952.db2.gz ZRQAKHIGSFKUOK-UHFFFAOYSA-N 0 0 325.327 3.196 40 10 EGCBRN COC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000001276901 452651416 /nfs/dbraw/zinc/65/14/16/452651416.db2.gz HHLUIOLYUTVOBV-CLUBXZQOSA-N 0 0 341.841 3.103 40 10 EGCBRN COc1cc(C=C2SC(Nc3ccccc3O)=NC2=O)ccc1O ZINC000001452216 452666113 /nfs/dbraw/zinc/66/61/13/452666113.db2.gz NIIMCGPWLIQTOH-OQLLNIDSSA-N 0 0 342.376 3.189 40 10 EGCBRN CCc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)CC)cc3)C2=O)cc1 ZINC000005586100 452886739 /nfs/dbraw/zinc/88/67/39/452886739.db2.gz WHLBGXOVNWKTHX-RGEXLXHISA-N 0 0 349.434 3.167 40 10 EGCBRN O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000005771042 452902507 /nfs/dbraw/zinc/90/25/07/452902507.db2.gz IFFQWKPCNLXIGN-AWNIVKPZSA-N 0 0 343.385 3.106 40 10 EGCBRN COc1ccc(N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)cc1 ZINC000020461109 453665250 /nfs/dbraw/zinc/66/52/50/453665250.db2.gz WUOABZVWPLUJCY-UHFFFAOYSA-N 0 0 338.451 3.203 40 10 EGCBRN Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1 ZINC000024994975 453754723 /nfs/dbraw/zinc/75/47/23/453754723.db2.gz RDGMHNBODMZWLL-UHFFFAOYSA-N 0 0 340.423 3.073 40 10 EGCBRN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 ZINC000032099428 453864483 /nfs/dbraw/zinc/86/44/83/453864483.db2.gz BCJIEYZMVXAMKO-RGEXLXHISA-N 0 0 349.434 3.303 40 10 EGCBRN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000033552190 453915430 /nfs/dbraw/zinc/91/54/30/453915430.db2.gz HYSMXZWKGLXGHK-XYOKQWHBSA-N 0 0 333.365 3.460 40 10 EGCBRN CCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S ZINC000409339889 457597707 /nfs/dbraw/zinc/59/77/07/457597707.db2.gz MNBXYNIRBSHEQF-QINSGFPZSA-N 0 0 348.493 3.134 40 10 EGCBRN CCOC(=O)C(=NNc1ccc(Br)c(C)c1)C(C)=O ZINC000104243178 219363829 /nfs/dbraw/zinc/36/38/29/219363829.db2.gz MRGKSZSPFMDFKI-IUDBQGPFSA-N 0 0 327.178 3.362 40 10 EGCBRN CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=S ZINC000009256903 211060123 /nfs/dbraw/zinc/06/01/23/211060123.db2.gz CURBVPYXOFERRD-UXBLZVDNSA-N 0 0 329.830 3.275 40 10 EGCBRN Cc1cc([C@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c(C)n1-c1cccc(C)c1C ZINC000408975676 257884341 /nfs/dbraw/zinc/88/43/41/257884341.db2.gz BZVGACCHQHAJFE-IRXDYDNUSA-N 0 0 330.453 3.499 40 10 EGCBRN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)Nc1ccc(Cl)cc1 ZINC000006927531 258052312 /nfs/dbraw/zinc/05/23/12/258052312.db2.gz DEDSKRGBBXDWQI-UHFFFAOYSA-N 0 0 328.759 3.212 40 10 EGCBRN Oc1c([C@@H](c2cccs2)N2CCOCC2)ccc2cccnc21 ZINC000019790508 296589848 /nfs/dbraw/zinc/58/98/48/296589848.db2.gz CLIPMRZXGYNMOU-KRWDZBQOSA-N 0 0 326.421 3.424 40 10 EGCBRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000007146349 453036803 /nfs/dbraw/zinc/03/68/03/453036803.db2.gz BHBHZJICOFGSBV-UHFFFAOYSA-N 0 0 346.496 3.499 40 10 EGCBRN C[C@@H]1CC(CNC(=O)NCCCSc2nccs2)C[C@@H](C)O1 ZINC000253427002 455845119 /nfs/dbraw/zinc/84/51/19/455845119.db2.gz UJLSYDKKZHXGIS-VXGBXAGGSA-N 0 0 343.518 3.128 40 10 EGCBRN O=C1NC(=Nc2ccccn2)SC1=Cc1cccc2nccnc12 ZINC000256055882 455880736 /nfs/dbraw/zinc/88/07/36/455880736.db2.gz XPOVPZHLDFGQRG-RAXLEYEMSA-N 0 0 333.376 3.107 40 10 EGCBRN CCOc1ccccc1/C=C1\C(=O)N(CC(C)C)C(C)=C1C(=O)OC ZINC000408770347 457587721 /nfs/dbraw/zinc/58/77/21/457587721.db2.gz WJVJUHZFPDDOTE-WJDWOHSUSA-N 0 0 343.423 3.414 40 10 EGCBRN O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1 ZINC000408962670 457590526 /nfs/dbraw/zinc/59/05/26/457590526.db2.gz ZWONNGAFJFLODU-RGEXLXHISA-N 0 0 347.418 3.380 40 10 EGCBRN Cc1cc([C@@H]2[NH2+]C[C@H](C(=O)[O-])S2)c(C)n1-c1cccc(C)c1C ZINC000408975675 457590766 /nfs/dbraw/zinc/59/07/66/457590766.db2.gz BZVGACCHQHAJFE-IAGOWNOFSA-N 0 0 330.453 3.499 40 10 EGCBRN CCOc1ccc2ccccc2c1/C=C1\SC(NC(C)=O)=NC1=O ZINC000409025825 457592357 /nfs/dbraw/zinc/59/23/57/457592357.db2.gz XTRYYEXCERCSEO-YBEGLDIGSA-N 0 0 340.404 3.345 40 10 EGCBRN Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000067898628 215246313 /nfs/dbraw/zinc/24/63/13/215246313.db2.gz UGMNLNFQLPIRRU-SFHVURJKSA-N 0 0 335.407 3.356 40 10 biogenic,in-vitro EGCBRN CCOC(=O)C(=NNc1ccc(C)cc1Br)C(C)=O ZINC000104243202 219364292 /nfs/dbraw/zinc/36/42/92/219364292.db2.gz TWURBUNOBXNZFQ-IUDBQGPFSA-N 0 0 327.178 3.362 40 10 EGCBRN Cc1nnc([C@H](NCc2cc(Cl)ccc2O)c2ccccc2)[nH]1 ZINC000069168772 215367228 /nfs/dbraw/zinc/36/72/28/215367228.db2.gz GUGMBOADANTIHY-MRXNPFEDSA-N 0 0 328.803 3.351 40 10 EGCBRN COc1cc(N(C)Cc2nc3ccccc3n2C)cc(OC)c1OC ZINC000096424545 218792628 /nfs/dbraw/zinc/79/26/28/218792628.db2.gz BQNHZPKRBODGDQ-UHFFFAOYSA-N 0 0 341.411 3.236 40 10 EGCBRN CCCCOC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000005374670 210451457 /nfs/dbraw/zinc/45/14/57/210451457.db2.gz RZNQYBONSLLCQP-RAXLEYEMSA-N 0 0 335.450 3.475 40 10 EGCBRN COc1ccc(OC)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000000083866 452502354 /nfs/dbraw/zinc/50/23/54/452502354.db2.gz XPBDHMNZHQPGKH-RVDMUPIBSA-N 0 0 332.425 3.160 40 10 EGCBRN CC1CCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)CC1 ZINC000000208287 452537535 /nfs/dbraw/zinc/53/75/35/452537535.db2.gz WNQFZDISXWGGGH-DHDCSXOGSA-N 0 0 330.409 3.118 40 10 EGCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3cccnc3)S2)cc1 ZINC000005373238 452865690 /nfs/dbraw/zinc/86/56/90/452865690.db2.gz JSYXBJDYVZOQTO-DHDCSXOGSA-N 0 0 338.392 3.122 40 10 EGCBRN COc1cc(/C=C2\C(=O)N(c3nc4ccccc4[nH]3)N=C2C)ccc1O ZINC000006265781 452928402 /nfs/dbraw/zinc/92/84/02/452928402.db2.gz NZHXHEIUGJLQGO-LCYFTJDESA-N 0 0 348.362 3.083 40 10 EGCBRN CCCCC[NH+]=C(C)C1=C([O-])N(c2ccccc2)NC1=CC(=O)OC ZINC000017071682 453628995 /nfs/dbraw/zinc/62/89/95/453628995.db2.gz FHHGXDNKILAANF-JXAWBTAJSA-N 0 0 343.427 3.006 40 10 EGCBRN COc1ccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)cc1 ZINC000024716554 453743079 /nfs/dbraw/zinc/74/30/79/453743079.db2.gz IQBDSEFFRGVQTG-RVDMUPIBSA-N 0 0 348.493 3.340 40 10 EGCBRN COC(=O)c1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000033294195 453913112 /nfs/dbraw/zinc/91/31/12/453913112.db2.gz WTPAABRJSPIZGM-LFIBNONCSA-N 0 0 336.343 3.463 40 10 EGCBRN COc1ccc(N2CCN(C(=O)c3ccnc4ccccc43)CC2)cc1 ZINC000074715469 454623907 /nfs/dbraw/zinc/62/39/07/454623907.db2.gz GMUFPYUHCGQAHH-UHFFFAOYSA-N 0 0 347.418 3.206 40 10 EGCBRN O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 ZINC000214053272 456025213 /nfs/dbraw/zinc/02/52/13/456025213.db2.gz SXWVJVMLFLBRAY-OQLLNIDSSA-N 0 0 327.361 3.334 40 10 EGCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000013646512 546515277 /nfs/dbraw/zinc/51/52/77/546515277.db2.gz MEPJYAWIQGVQQA-UHFFFAOYSA-N 0 0 339.395 3.433 40 10 EGCBRN Cc1ccc(OC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1C ZINC000178430306 232164117 /nfs/dbraw/zinc/16/41/17/232164117.db2.gz CVDPCWDIUYBTHQ-UHFFFAOYSA-N 0 0 338.451 3.498 40 10 EGCBRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000040089166 213261427 /nfs/dbraw/zinc/26/14/27/213261427.db2.gz UICYRMUHDQLHQB-UHFFFAOYSA-N 0 0 328.387 3.365 40 10 EGCBRN CCOc1ccc(-n2c(C)cc([C@H]3[NH2+]C[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408977550 257884323 /nfs/dbraw/zinc/88/43/23/257884323.db2.gz IXIHXDRPUPBPJJ-SJORKVTESA-N 0 0 346.452 3.281 40 10 EGCBRN CSc1ccccc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000192213758 286731701 /nfs/dbraw/zinc/73/17/01/286731701.db2.gz VJYYLUJHAWVPBI-AWEZNQCLSA-N 0 0 333.482 3.072 40 10 EGCBRN CN1C(=O)/C(=C/c2ccc(C(=O)NC(C)(C)C)cc2)SC1=S ZINC000005374683 277005426 /nfs/dbraw/zinc/00/54/26/277005426.db2.gz 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457589881 /nfs/dbraw/zinc/58/98/81/457589881.db2.gz WZZJMDUQVSKXNE-ATVHPVEESA-N 0 0 335.359 3.269 40 10 EGCBRN Cc1cnc(OC(C)C)c(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000931583542 1329149187 /nfs/dbraw/zinc/14/91/87/1329149187.db2.gz MRSFDQOKPWSOIW-UHFFFAOYSA-N 0 0 327.384 3.431 40 10 EGCBRN CCOc1cccc(CN[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1O ZINC000069168837 215367572 /nfs/dbraw/zinc/36/75/72/215367572.db2.gz IMJLYAXRMNVTBG-QGZVFWFLSA-N 0 0 338.411 3.097 40 10 EGCBRN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000005027414 210367574 /nfs/dbraw/zinc/36/75/74/210367574.db2.gz PAOBNMVXXUBALX-ZSOIEALJSA-N 0 0 342.380 3.141 40 10 EGCBRN COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1 ZINC000072342085 257914031 /nfs/dbraw/zinc/91/40/31/257914031.db2.gz SWDBLYDCUWPEKD-QGZVFWFLSA-N 0 0 329.787 3.241 40 10 EGCBRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccccc1[N+](=O)[O-] ZINC000008322942 453192507 /nfs/dbraw/zinc/19/25/07/453192507.db2.gz LHMMIJWKSHEPRU-UVTDQMKNSA-N 0 0 331.397 3.487 40 10 EGCBRN 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/nfs/dbraw/zinc/76/37/72/454763772.db2.gz IAPJVAILNUJQSK-WJDWOHSUSA-N 0 0 344.411 3.404 40 10 EGCBRN CCCNC=C1C(=O)N(c2ccc(Br)cc2C)N=C1C ZINC000408533594 457580671 /nfs/dbraw/zinc/58/06/71/457580671.db2.gz TUPJWGDTQXDZTI-LCYFTJDESA-N 0 0 336.233 3.364 40 10 EGCBRN COc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1[N+](=O)[O-] ZINC000408905061 457590037 /nfs/dbraw/zinc/59/00/37/457590037.db2.gz SNXARSKESKKXQN-RVDMUPIBSA-N 0 0 337.335 3.410 40 10 EGCBRN CCOc1ccc(-n2c(C)cc([C@H]3[NH2+]C[C@@H](C(=O)[O-])S3)c2C)cc1 ZINC000408977547 457591600 /nfs/dbraw/zinc/59/16/00/457591600.db2.gz IXIHXDRPUPBPJJ-IRXDYDNUSA-N 0 0 346.452 3.281 40 10 EGCBRN Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000409400506 457598031 /nfs/dbraw/zinc/59/80/31/457598031.db2.gz SAGJXGJBPVOSLD-RGEXLXHISA-N 0 0 347.418 3.057 40 10 EGCBRN Cc1cc(NN=C2C=C([N+](=O)[O-])C=C([N+](=O)[O-])C2=O)c(N)cc1N ZINC000016268085 211892983 /nfs/dbraw/zinc/89/29/83/211892983.db2.gz ZQOQTVZVXAHHAW-WUKNDPDISA-N 0 0 332.276 3.097 40 10 EGCBRN 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CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1 ZINC000058883803 454240656 /nfs/dbraw/zinc/24/06/56/454240656.db2.gz YHINYTIECVRXKU-BOPFTXTBSA-N 0 0 343.423 3.414 40 10 EGCBRN CCOC(=O)C(=O)Nc1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408975503 457591382 /nfs/dbraw/zinc/59/13/82/457591382.db2.gz MHSYDUFFMIDJJR-UHFFFAOYSA-N 0 0 345.358 3.438 40 10 EGCBRN COc1cc(Cl)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1O ZINC000036613155 201953322 /nfs/dbraw/zinc/95/33/22/201953322.db2.gz FGROCKOPUMUVQT-WZUFQYTHSA-N 0 0 341.841 3.418 40 10 EGCBRN CN(Cc1ccccc1O)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000077445850 202393066 /nfs/dbraw/zinc/39/30/66/202393066.db2.gz GIZVRCQVOSVDSA-UHFFFAOYSA-N 0 0 336.395 3.457 40 10 EGCBRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000020815884 212173228 /nfs/dbraw/zinc/17/32/28/212173228.db2.gz HCDOOJXIFKVWIX-ZIAGYGMSSA-N 0 0 330.403 3.483 40 10 EGCBRN CC(C)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000408599118 257894766 /nfs/dbraw/zinc/89/47/66/257894766.db2.gz 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/nfs/dbraw/zinc/08/87/58/1296088758.db2.gz ALSCXVYFMMXENP-FQEVSTJZSA-N 0 0 338.451 3.243 40 10 EGCBRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000040095645 202167909 /nfs/dbraw/zinc/16/79/09/202167909.db2.gz OZTASHIADFHTFU-UHFFFAOYSA-N 0 0 328.372 3.291 40 10 EGCBRN COc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1OC ZINC000225047709 241790218 /nfs/dbraw/zinc/79/02/18/241790218.db2.gz QNTNEVWUYUNWNH-UHFFFAOYSA-N 0 0 340.423 3.234 40 10 EGCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1O ZINC000408893876 257886489 /nfs/dbraw/zinc/88/64/89/257886489.db2.gz NXQFEYCCZAYAIX-GDNBJRDFSA-N 0 0 329.396 3.111 40 10 EGCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408892791 257887034 /nfs/dbraw/zinc/88/70/34/257887034.db2.gz JOCRNIOVPREXMN-BOPFTXTBSA-N 0 0 343.423 3.414 40 10 EGCBRN O=C(c1cccnc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S ZINC000003148086 452747074 /nfs/dbraw/zinc/74/70/74/452747074.db2.gz REXCTVGMABKDGU-JYRVWZFOSA-N 0 0 344.392 3.262 40 10 EGCBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1cccc3cccnc31)C(=O)C2=O ZINC000006760242 452984862 /nfs/dbraw/zinc/98/48/62/452984862.db2.gz JLGLQCSANJATHP-VQTJNVASSA-N 0 0 337.375 3.105 40 10 EGCBRN COc1ccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000013610559 453474088 /nfs/dbraw/zinc/47/40/88/453474088.db2.gz LAGLSVQKWRFTFA-UHFFFAOYSA-N 0 0 341.411 3.058 40 10 EGCBRN Nc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000020480357 453666465 /nfs/dbraw/zinc/66/64/65/453666465.db2.gz IOGWNUSVDSGYCU-UHFFFAOYSA-N 0 0 338.148 3.126 40 10 EGCBRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 ZINC000078979572 454348434 /nfs/dbraw/zinc/34/84/34/454348434.db2.gz YPPNAQPTRVZBML-ZWKOTPCHSA-N 0 0 340.423 3.177 40 10 EGCBRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2CC ZINC000079336387 454398685 /nfs/dbraw/zinc/39/86/85/454398685.db2.gz VUBCFKLMVGCUMI-UHFFFAOYSA-N 0 0 338.411 3.209 40 10 EGCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCCOC ZINC000103918534 454569744 /nfs/dbraw/zinc/56/97/44/454569744.db2.gz QEXIEIWKJUOWHP-LGMDPLHJSA-N 0 0 333.407 3.229 40 10 EGCBRN CC(C)(C)c1cnc(S[C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000253423831 455844529 /nfs/dbraw/zinc/84/45/29/455844529.db2.gz GJNNYRSGFAPUTA-LBPRGKRZSA-N 0 0 340.514 3.313 40 10 EGCBRN CCCN1C(=O)C(=Cc2ccc(N3CCCC3)cc2C)NC1=S ZINC000409077002 457593281 /nfs/dbraw/zinc/59/32/81/457593281.db2.gz CGDNUBWAAGOTTN-VBKFSLOCSA-N 0 0 329.469 3.063 40 10 EGCBRN O=C1N=C(Nc2cccnc2)SC1=Cc1cnc2ccccc2n1 ZINC000054361172 214232731 /nfs/dbraw/zinc/23/27/31/214232731.db2.gz WXSUFERARLXTNG-NVNXTCNLSA-N 0 0 333.376 3.107 40 10 EGCBRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000013649229 201905467 /nfs/dbraw/zinc/90/54/67/201905467.db2.gz DQXARWGWLSDDNZ-UHFFFAOYSA-N 0 0 339.395 3.433 40 10 EGCBRN C[C@H]1COC[C@H](C)N1C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000032594698 202229007 /nfs/dbraw/zinc/22/90/07/202229007.db2.gz BVPMTIDEDXIBPV-ZCJISOJFSA-N 0 0 336.844 3.420 40 10 EGCBRN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O ZINC000034199333 212975864 /nfs/dbraw/zinc/97/58/64/212975864.db2.gz SWVDNEGGBBYXGS-UWVAXJGDSA-N 0 0 344.407 3.407 40 10 biogenic,in-vitro EGCBRN COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1 ZINC000072342086 277430641 /nfs/dbraw/zinc/43/06/41/277430641.db2.gz SWDBLYDCUWPEKD-KRWDZBQOSA-N 0 0 329.787 3.241 40 10 EGCBRN COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C ZINC000001805598 452678688 /nfs/dbraw/zinc/67/86/88/452678688.db2.gz FYHCKNAQYIYBKZ-MSOLQXFVSA-N 0 0 349.814 3.252 40 10 EGCBRN CCOc1ccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)cc1 ZINC000003843256 452785862 /nfs/dbraw/zinc/78/58/62/452785862.db2.gz SFVQMJOLRKAVFG-MRXNPFEDSA-N 0 0 340.408 3.397 40 10 EGCBRN CC(=O)c1cccc(NC2=NC(=O)C(=Cc3cccn3C)S2)c1 ZINC000005374473 452865830 /nfs/dbraw/zinc/86/58/30/452865830.db2.gz XJTUPMSSHHSWDD-XNTDXEJSSA-N 0 0 325.393 3.310 40 10 EGCBRN Cc1[nH]c2ccccc2c1/C=C1\NC(=S)N(Cc2ccco2)C1=O ZINC000014199386 453518500 /nfs/dbraw/zinc/51/85/00/453518500.db2.gz BZSKLWFYLGFPMR-SXGWCWSVSA-N 0 0 337.404 3.327 40 10 EGCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000042047308 453991006 /nfs/dbraw/zinc/99/10/06/453991006.db2.gz SMYPUQYCKIYZCN-KPKJPENVSA-N 0 0 336.435 3.366 40 10 EGCBRN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830696 454936163 /nfs/dbraw/zinc/93/61/63/454936163.db2.gz IDPCMKHNKAOJEJ-UKTHLTGXSA-N 0 0 343.389 3.396 40 10 EGCBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1 ZINC000224608459 456067722 /nfs/dbraw/zinc/06/77/22/456067722.db2.gz FGZDVBNAHNKCLQ-UHFFFAOYSA-N 0 0 346.496 3.461 40 10 EGCBRN CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1 ZINC000100807859 219107055 /nfs/dbraw/zinc/10/70/55/219107055.db2.gz ZYAUVKJDEMGGOP-MHWRWJLKSA-N 0 0 340.766 3.488 40 10 EGCBRN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O ZINC000031157838 202202926 /nfs/dbraw/zinc/20/29/26/202202926.db2.gz UXVPWKDITRJELA-CLWJZODNSA-N 0 0 346.423 3.258 40 10 endogenous,in-man EGCBRN CN(C)c1ccc(CNC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000032712277 212828324 /nfs/dbraw/zinc/82/83/24/212828324.db2.gz TXZIMTYIRLKDHO-UHFFFAOYSA-N 0 0 332.831 3.491 40 10 EGCBRN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000000465334 452601222 /nfs/dbraw/zinc/60/12/22/452601222.db2.gz CMUJOOWHVNOPMT-KNSKNOLWSA-N 0 0 342.405 3.203 40 10 EGCBRN O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccccc1 ZINC000001417253 452661567 /nfs/dbraw/zinc/66/15/67/452661567.db2.gz GAQYWHAXDBGVFY-SDNWHVSQSA-N 0 0 340.429 3.233 40 10 EGCBRN COc1ccc(N2CCN(C(=S)c3cccc(OC)c3)CC2)cc1 ZINC000007499883 453082087 /nfs/dbraw/zinc/08/20/87/453082087.db2.gz UGBRWLPTIZFYLB-UHFFFAOYSA-N 0 0 342.464 3.202 40 10 EGCBRN Cc1cc(=O)[nH]c2c(N=Nc3cccc(C(F)(F)F)c3)c(N)nn21 ZINC000008300524 453187327 /nfs/dbraw/zinc/18/73/27/453187327.db2.gz GIAVZXIODZWQSE-QZQOTICOSA-N 0 0 336.277 3.347 40 10 EGCBRN CCOc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000013547136 453470608 /nfs/dbraw/zinc/47/06/08/453470608.db2.gz PLPFUUPGKQVIHW-NWFCWYBLSA-N 0 0 349.477 3.466 40 10 EGCBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1nc3ccccc3s1)C(=O)C2=O ZINC000027026542 453809759 /nfs/dbraw/zinc/80/97/59/453809759.db2.gz VPRJPSCRCJIXOB-ZWKOTPCHSA-N 0 0 342.420 3.199 40 10 EGCBRN CCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C ZINC000083259591 453947318 /nfs/dbraw/zinc/94/73/18/453947318.db2.gz BBJVNTFQBADMAD-XFXZXTDPSA-N 0 0 339.313 3.398 40 10 EGCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408942872 457590115 /nfs/dbraw/zinc/59/01/15/457590115.db2.gz RBNFFNUBODYREQ-NTEUORMPSA-N 0 0 340.766 3.488 40 10 EGCBRN COc1ccc2ccc(OC)c(C=C3C(=O)OC(C)(C)OC3=O)c2c1 ZINC000409020397 457592028 /nfs/dbraw/zinc/59/20/28/457592028.db2.gz OVKULZDYKRWJGO-UHFFFAOYSA-N 0 0 342.347 3.077 40 10 EGCBRN CCOc1c(/N=N\c2ccccc2OCC)c(C)nn1C(N)=S ZINC000104237580 219364173 /nfs/dbraw/zinc/36/41/73/219364173.db2.gz HLBUODHKQUYCNZ-ZCXUNETKSA-N 0 0 333.417 3.496 40 10 EGCBRN Nc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1 ZINC000072319790 216149217 /nfs/dbraw/zinc/14/92/17/216149217.db2.gz CFTXGNJIXHFHTH-UHFFFAOYSA-N 0 0 348.358 3.289 40 10 EGCBRN CCOc1c(/N=N/c2ccccc2OCC)c(C)nn1C(N)=S ZINC000017141905 211957040 /nfs/dbraw/zinc/95/70/40/211957040.db2.gz HLBUODHKQUYCNZ-ISLYRVAYSA-N 0 0 333.417 3.496 40 10 EGCBRN CC(Nc1ccccn1)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112111768 257860106 /nfs/dbraw/zinc/86/01/06/257860106.db2.gz BABAJNPGBQVNTQ-WJDWOHSUSA-N 0 0 337.339 3.098 40 10 EGCBRN COc1ccc(N2CCN(C(=S)c3ccc(F)cc3)CC2)cc1 ZINC000009188039 453246106 /nfs/dbraw/zinc/24/61/06/453246106.db2.gz QVLAQPMGAGZIAD-UHFFFAOYSA-N 0 0 330.428 3.332 40 10 EGCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408892282 457588872 /nfs/dbraw/zinc/58/88/72/457588872.db2.gz HVIKBQWQRUZFKE-YBEGLDIGSA-N 0 0 329.396 3.111 40 10 EGCBRN O=C1C(=CNc2ccccc2O)SC(=S)N1Cc1ccco1 ZINC000618255010 1298098693 /nfs/dbraw/zinc/09/86/93/1298098693.db2.gz MPQLBIFYMJKQKU-JYRVWZFOSA-N 0 0 332.406 3.299 40 10 EGCBRN Cc1ccccc1NCc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000216736860 241209014 /nfs/dbraw/zinc/20/90/14/241209014.db2.gz CLTKFMHQIXWIDW-UHFFFAOYSA-N 0 0 327.384 3.352 40 10 EGCBRN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)c(OC)c1 ZINC000021313787 212218825 /nfs/dbraw/zinc/21/88/25/212218825.db2.gz XMPSFVYFEWQWTJ-DHDCSXOGSA-N 0 0 332.425 3.206 40 10 EGCBRN Cc1noc(-c2cccnc2NCCCSc2nccs2)n1 ZINC000096483210 218859166 /nfs/dbraw/zinc/85/91/66/218859166.db2.gz SFVMYKTYHDJKQQ-UHFFFAOYSA-N 0 0 333.442 3.491 40 10 EGCBRN CCCCNC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000005374680 210451478 /nfs/dbraw/zinc/45/14/78/210451478.db2.gz JBKFGBBXXMOEGF-RAXLEYEMSA-N 0 0 334.466 3.048 40 10 EGCBRN Cc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)s1 ZINC000409141578 257877202 /nfs/dbraw/zinc/87/72/02/257877202.db2.gz JABDGNHOILKFLV-LCYFTJDESA-N 0 0 328.418 3.457 40 10 EGCBRN CN1c2ccccc2/C(=C2/SC(=S)N(C(C)(C)C)C2=O)C1=O ZINC000005552059 277216815 /nfs/dbraw/zinc/21/68/15/277216815.db2.gz PNVBXEZXBAEUMO-QXMHVHEDSA-N 0 0 332.450 3.033 40 10 EGCBRN CC(=O)C(C(C)=O)[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000101403580 277929640 /nfs/dbraw/zinc/92/96/40/277929640.db2.gz QDGZWYLMBCKMGQ-GOSISDBHSA-N 0 0 334.371 3.260 40 10 EGCBRN O=C(c1ccccc1)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000005601390 452887228 /nfs/dbraw/zinc/88/72/28/452887228.db2.gz IFOXPLNQOXEJTC-GXDHUFHOSA-N 0 0 341.413 3.434 40 10 EGCBRN COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000010963370 453306715 /nfs/dbraw/zinc/30/67/15/453306715.db2.gz MQYAFHPRQODJLB-UHFFFAOYSA-N 0 0 339.439 3.353 40 10 EGCBRN Cc1sc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000028335921 453823196 /nfs/dbraw/zinc/82/31/96/453823196.db2.gz NGDFXWAPLOKZLV-UHFFFAOYSA-N 0 0 345.424 3.495 40 10 EGCBRN CCOC(=O)c1cc(NC(=S)NCc2ccccn2)ccc1Cl ZINC000225330228 456078697 /nfs/dbraw/zinc/07/86/97/456078697.db2.gz GFEPQLZNJFUTOX-UHFFFAOYSA-N 0 0 349.843 3.398 40 10 EGCBRN O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1 ZINC000408722290 457587709 /nfs/dbraw/zinc/58/77/09/457587709.db2.gz GPQXJVNMXUWFPH-NTEUORMPSA-N 0 0 342.807 3.171 40 10 EGCBRN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O ZINC000014688350 574413614 /nfs/dbraw/zinc/41/36/14/574413614.db2.gz LCAZOMIGFDQMNC-MCNSXXNHSA-N 0 0 346.423 3.258 40 10 endogenous,in-man EGCBRN O=C1/C(=C\N2CCCCC2)SC(=S)N1CCc1ccccc1 ZINC000036613130 213101359 /nfs/dbraw/zinc/10/13/59/213101359.db2.gz YNOYDMNKBRWZKN-FYWRMAATSA-N 0 0 332.494 3.417 40 10 EGCBRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000225406823 241848646 /nfs/dbraw/zinc/84/86/46/241848646.db2.gz FDYAPGCXEFXNFZ-UHFFFAOYSA-N 0 0 340.423 3.234 40 10 EGCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(F)F ZINC000020607882 212154277 /nfs/dbraw/zinc/15/42/77/212154277.db2.gz XRVFEZFBWUYQRE-POHAHGRESA-N 0 0 331.365 3.176 40 10 EGCBRN Oc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1O ZINC000012113846 211293489 /nfs/dbraw/zinc/29/34/89/211293489.db2.gz HVFDRTWXKUYMKY-UHFFFAOYSA-N 0 0 332.363 3.420 40 10 EGCBRN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1O ZINC000009781645 211124680 /nfs/dbraw/zinc/12/46/80/211124680.db2.gz FPEKMGJZMRNHLS-ZDUSSCGKSA-N 0 0 345.380 3.450 40 10 EGCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000003547528 135660684 /nfs/dbraw/zinc/66/06/84/135660684.db2.gz BGAYBYGYPYHXPA-UHFFFAOYSA-N 0 0 330.815 3.311 40 10 EGCBRN O=C1c2ccccc2C(=O)c2c(OCCN3CCCCC3)cccc21 ZINC000004783341 275031498 /nfs/dbraw/zinc/03/14/98/275031498.db2.gz TYYWSGFBGKAAKD-UHFFFAOYSA-N 0 0 335.403 3.327 40 10 EGCBRN CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(O)cc3)C(=N)N12 ZINC000004916963 275664435 /nfs/dbraw/zinc/66/44/35/275664435.db2.gz ZOWRVPKDSARLHB-RQWODAFVSA-N 0 0 346.437 3.110 40 10 EGCBRN CCOC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000004745646 276430245 /nfs/dbraw/zinc/43/02/45/276430245.db2.gz DCJQZZMZLWBNSO-FNIWZSMSSA-N 0 0 347.461 3.397 40 10 EGCBRN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000041077894 295023823 /nfs/dbraw/zinc/02/38/23/295023823.db2.gz XBIODJMMDNWNIY-YMKMMDQASA-N 0 0 328.378 3.009 40 10 EGCBRN CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O ZINC000000444660 452592652 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UCJWQBIUJFTZDP-CLUBXZQOSA-N 0 0 341.841 3.103 40 10 EGCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000005897444 452910737 /nfs/dbraw/zinc/91/07/37/452910737.db2.gz WXDGCWWLTCHNBH-ZSOIEALJSA-N 0 0 327.409 3.464 40 10 EGCBRN CCn1nccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1 ZINC000006490094 452946518 /nfs/dbraw/zinc/94/65/18/452946518.db2.gz NLIZDNDSXZDNPD-DTQAZKPQSA-N 0 0 332.363 3.331 40 10 EGCBRN C=CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000033388476 453914803 /nfs/dbraw/zinc/91/48/03/453914803.db2.gz HKUPXRQMBZETSS-AQTBWJFISA-N 0 0 343.386 3.289 40 10 EGCBRN COc1ccc(N2CCN(C(=O)CCc3ccccc3F)CC2)cc1 ZINC000060524761 454297697 /nfs/dbraw/zinc/29/76/97/454297697.db2.gz IBEXNXNBZVJXSO-UHFFFAOYSA-N 0 0 342.414 3.116 40 10 EGCBRN O=C(NCc1ccc(O)c(O)c1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000253392629 455837981 /nfs/dbraw/zinc/83/79/81/455837981.db2.gz DORDZCMSALBOFP-CQSZACIVSA-N 0 0 343.276 3.444 40 10 EGCBRN Cc1ccc(NC(=S)NCc2ccccn2)cc1N1CCCC1=O ZINC000225330635 456078917 /nfs/dbraw/zinc/07/89/17/456078917.db2.gz OLMAPEACLFVENB-UHFFFAOYSA-N 0 0 340.452 3.003 40 10 EGCBRN COc1ccc2c(c1O)CN1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000031997771 560089439 /nfs/dbraw/zinc/08/94/39/560089439.db2.gz DKBYSDUFSXFXMP-INIZCTEOSA-N 0 0 341.407 3.074 40 10 biogenic,in-vitro EGCBRN CCc1c(NC(=O)N2Cc3cccc(O)c3C2)cnn1CC(C)C ZINC000930554542 1328894252 /nfs/dbraw/zinc/89/42/52/1328894252.db2.gz NERIPEYQNDKBCD-UHFFFAOYSA-N 0 0 328.416 3.355 40 10 EGCBRN O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(O)c1 ZINC000005376156 210452242 /nfs/dbraw/zinc/45/22/42/210452242.db2.gz NQGAZNFBZOAPIT-AUWJEWJLSA-N 0 0 329.333 3.044 40 10 EGCBRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000014232231 292308802 /nfs/dbraw/zinc/30/88/02/292308802.db2.gz WBCXBQJHUXLSJF-UHFFFAOYSA-N 0 0 345.449 3.141 40 10 EGCBRN COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1OC ZINC000000200000 452533256 /nfs/dbraw/zinc/53/32/56/452533256.db2.gz LVRDRMWLTHHRPC-XFFZJAGNSA-N 0 0 343.291 3.186 40 10 EGCBRN CCCc1cc2c(=O)c(-c3ccon3)coc2c(C[NH+](C)C)c1[O-] ZINC000000486191 452605317 /nfs/dbraw/zinc/60/53/17/452605317.db2.gz JKUCAQAXBWPUGV-UHFFFAOYSA-N 0 0 328.368 3.168 40 10 biogenic EGCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(F)c1 ZINC000000559743 452622159 /nfs/dbraw/zinc/62/21/59/452622159.db2.gz NVSRBSFFGRORRL-YBEGLDIGSA-N 0 0 341.338 3.292 40 10 EGCBRN COc1cc([C@@H]2NN=C(c3ccccc3O)S2)cc(OC)c1OC ZINC000003132093 452744283 /nfs/dbraw/zinc/74/42/83/452744283.db2.gz MKBMRLJKFDMLRW-MRXNPFEDSA-N 0 0 346.408 3.115 40 10 EGCBRN Oc1cc2c(cc1[C@@H](Nc1ncccn1)c1ccc(F)cc1)OCO2 ZINC000006599350 452958984 /nfs/dbraw/zinc/95/89/84/452958984.db2.gz KSLFZSPCZHXEAP-KRWDZBQOSA-N 0 0 339.326 3.252 40 10 EGCBRN COc1cccc(CNC(C)=C2C(C)=NN(c3ccccc3)C2=O)c1 ZINC000103916085 454569964 /nfs/dbraw/zinc/56/99/64/454569964.db2.gz BUVPDJCILPFEIG-RGEXLXHISA-N 0 0 335.407 3.482 40 10 EGCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(F)cc2)cc1 ZINC000224380077 456066410 /nfs/dbraw/zinc/06/64/10/456066410.db2.gz HOPHGNLFUBAVMC-UHFFFAOYSA-N 0 0 330.403 3.367 40 10 EGCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000409229061 457595588 /nfs/dbraw/zinc/59/55/88/457595588.db2.gz JEGQIDLMXNDEKF-GZTJUZNOSA-N 0 0 339.395 3.102 40 10 EGCBRN