smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C)[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC001548448250 1124291739 /nfs/dbraw/zinc/29/17/39/1124291739.db2.gz WPVACIPRSXZPAC-JFGNBEQYSA-N 0 0 347.337 2.491 40 0 EEABRN O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 ZINC000054192442 214223724 /nfs/dbraw/zinc/22/37/24/214223724.db2.gz DZQNWJOODMCXOV-OAHLLOKOSA-N 0 0 346.770 2.235 40 0 EEABRN CNC(=O)c1ccc(CSCc2nnnn2-c2ccccc2)cc1 ZINC000066903920 215092477 /nfs/dbraw/zinc/09/24/77/215092477.db2.gz FSDYWMMGEWGWCQ-UHFFFAOYSA-N 0 0 339.424 2.455 40 0 EEABRN Cn1cc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cn1 ZINC000071195794 282625370 /nfs/dbraw/zinc/62/53/70/282625370.db2.gz MMJUJMMBJVHBGV-INIZCTEOSA-N 0 0 334.383 2.080 40 0 EEABRN Cn1ccnc1SCCNC(=O)c1cccc(Cn2cccn2)c1 ZINC000019291534 202002753 /nfs/dbraw/zinc/00/27/53/202002753.db2.gz WDVFDHKQFZUDJY-UHFFFAOYSA-N 0 0 341.440 2.187 40 0 EEABRN CCc1cc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)n(C)n1 ZINC000019522156 202010270 /nfs/dbraw/zinc/01/02/70/202010270.db2.gz LKBUNJJIORNOBL-INIZCTEOSA-N 0 0 341.390 2.375 40 0 EEABRN COc1ccc(CN2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)cc1 ZINC000019555668 202011261 /nfs/dbraw/zinc/01/12/61/202011261.db2.gz IJPNVUGNCOHGBS-UHFFFAOYSA-N 0 0 349.394 2.206 40 0 EEABRN CCOCCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937686 202027893 /nfs/dbraw/zinc/02/78/93/202027893.db2.gz JSXSIDVRGVTBKF-UHFFFAOYSA-N 0 0 349.818 2.176 40 0 EEABRN CCS(=O)(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038670490 202143451 /nfs/dbraw/zinc/14/34/51/202143451.db2.gz JGDZRUWQIZZGLN-UHFFFAOYSA-N 0 0 339.392 2.405 40 0 EEABRN CCCCCCNC(=O)CS(=O)(=O)Cc1nc(CCCC)no1 ZINC000040106339 202169500 /nfs/dbraw/zinc/16/95/00/202169500.db2.gz QURPFBMWXIIEBF-UHFFFAOYSA-N 0 0 345.465 2.024 40 0 EEABRN OCC[C@](CCN1CCOCC1)(c1ccccc1)C1(O)CCCC1 ZINC000031794791 202209395 /nfs/dbraw/zinc/20/93/95/202209395.db2.gz RJJMFZDUICQIPZ-LJQANCHMSA-N 0 0 333.472 2.334 40 0 EEABRN O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000187437025 236210199 /nfs/dbraw/zinc/21/01/99/236210199.db2.gz SWCNYRBJVHIEMC-LBPRGKRZSA-N 0 0 338.333 2.366 40 0 EEABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1C ZINC000071980300 283321376 /nfs/dbraw/zinc/32/13/76/283321376.db2.gz ASOPBMIXVSFSOP-INIZCTEOSA-N 0 0 346.427 2.123 40 0 EEABRN O=S(=O)(Cc1ccc(F)cc1)NCCOc1ccc(F)cc1 ZINC000028332877 236906641 /nfs/dbraw/zinc/90/66/41/236906641.db2.gz QVYROCNOJBDXBJ-UHFFFAOYSA-N 0 0 327.352 2.463 40 0 EEABRN Cc1cccc(CS(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)c1 ZINC000070637075 202336836 /nfs/dbraw/zinc/33/68/36/202336836.db2.gz NLMQLALPEBKMOS-UHFFFAOYSA-N 0 0 333.413 2.185 40 0 EEABRN CCCCS(=O)(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000071195684 202342608 /nfs/dbraw/zinc/34/26/08/202342608.db2.gz VKTQGVAKBHHFNK-AWEZNQCLSA-N 0 0 334.445 2.364 40 0 EEABRN O=C(N[C@H]1CCC(=O)NC1)c1cccc(COc2cccc(F)c2)c1 ZINC000072572558 202365249 /nfs/dbraw/zinc/36/52/49/202365249.db2.gz PZKFTCYXBIJMBH-INIZCTEOSA-N 0 0 342.370 2.413 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000072552575 202365636 /nfs/dbraw/zinc/36/56/36/202365636.db2.gz YAEPBILQACOQCK-CQSZACIVSA-N 0 0 333.392 2.331 40 0 EEABRN Cc1noc(C)c1[C@@H](C)NC(=O)NCCc1cn2c(n1)CCCC2 ZINC000073038304 202368073 /nfs/dbraw/zinc/36/80/73/202368073.db2.gz DQXXSCMSVYGFRE-LLVKDONJSA-N 0 0 331.420 2.427 40 0 EEABRN CN(Cc1ncnn1C)C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000072942340 202368319 /nfs/dbraw/zinc/36/83/19/202368319.db2.gz CPGVEJAKXSARLY-UHFFFAOYSA-N 0 0 332.383 2.218 40 0 EEABRN Cc1cc(C)n(-c2cncc(NCCNC(=O)CC3CCCC3)n2)n1 ZINC000072944960 202369092 /nfs/dbraw/zinc/36/90/92/202369092.db2.gz LTDGEEHXYLTXMP-UHFFFAOYSA-N 0 0 342.447 2.388 40 0 EEABRN CCc1nsc(N2CCCN(CC(=O)c3cc(C)[nH]c3C)CC2)n1 ZINC000072905860 202369212 /nfs/dbraw/zinc/36/92/12/202369212.db2.gz KAKQMFHTTBQSEW-UHFFFAOYSA-N 0 0 347.488 2.440 40 0 EEABRN Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N2Cc2ccco2)cc1 ZINC000072239578 202356341 /nfs/dbraw/zinc/35/63/41/202356341.db2.gz XTTBTXRFVRMUER-QGZVFWFLSA-N 0 0 326.396 2.438 40 0 EEABRN CCn1nc(C)c(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)c1C ZINC000072239558 202357160 /nfs/dbraw/zinc/35/71/60/202357160.db2.gz CJANKWJIDNASAP-CQSZACIVSA-N 0 0 330.388 2.243 40 0 EEABRN Cc1nc2c(nc(N)nc2Nc2cccc(Cn3cccn3)c2)n1C ZINC000072240958 202357931 /nfs/dbraw/zinc/35/79/31/202357931.db2.gz ISHWLSJHTJEWGE-UHFFFAOYSA-N 0 0 334.387 2.242 40 0 EEABRN CC(C)S(=O)(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000075170751 202377982 /nfs/dbraw/zinc/37/79/82/202377982.db2.gz SICQGFKUDSSPDT-UHFFFAOYSA-N 0 0 337.367 2.243 40 0 EEABRN O=C([C@@H]1COc2ccccc2O1)N(CC(F)(F)F)C1CCOCC1 ZINC000077158211 202384172 /nfs/dbraw/zinc/38/41/72/202384172.db2.gz UTKZPUPAQJCMHO-AWEZNQCLSA-N 0 0 345.317 2.396 40 0 EEABRN CS(=O)(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000078190493 202396215 /nfs/dbraw/zinc/39/62/15/202396215.db2.gz UICWIOVYOSDTJP-LLVKDONJSA-N 0 0 343.754 2.494 40 0 EEABRN O=C(CN(Cc1ccnc(Cl)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000076047680 202385567 /nfs/dbraw/zinc/38/55/67/202385567.db2.gz SJQVBPORPAHDPM-OAHLLOKOSA-N 0 0 337.851 2.338 40 0 EEABRN CC(C)(C)OC(=O)C1(NCc2nnnn2-c2ccccc2)CCCC1 ZINC000077317933 202391136 /nfs/dbraw/zinc/39/11/36/202391136.db2.gz WFPNYKFRUDXDAS-UHFFFAOYSA-N 0 0 343.431 2.406 40 0 EEABRN Cc1cc([C@@H](NC(=O)N2CCO[C@H](CO)C2)C(C)C)c(C)s1 ZINC000078963959 202410810 /nfs/dbraw/zinc/41/08/10/202410810.db2.gz RIVXMOXQWKATFB-ZFWWWQNUSA-N 0 0 326.462 2.465 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000078879522 202403857 /nfs/dbraw/zinc/40/38/57/202403857.db2.gz JWPIASSQFSCXFA-LLVKDONJSA-N 0 0 334.372 2.155 40 0 EEABRN Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000080283172 202462596 /nfs/dbraw/zinc/46/25/96/202462596.db2.gz RFRNFLOTOHBSCZ-VIFPVBQESA-N 0 0 330.475 2.272 40 0 EEABRN COC(=O)N1CC[C@H](NC(=O)c2cccc(Br)c2C)C1 ZINC000080500924 202468285 /nfs/dbraw/zinc/46/82/85/202468285.db2.gz IYUAKAXQPMYNBZ-JTQLQIEISA-N 0 0 341.205 2.328 40 0 EEABRN Cc1cc(C)n([C@H](C)C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)n1 ZINC000080875933 202470575 /nfs/dbraw/zinc/47/05/75/202470575.db2.gz VECJFYKKVPLNDI-SJKOYZFVSA-N 0 0 337.370 2.363 40 0 EEABRN Cn1nc(N)c(I)c1COCCC(F)(F)F ZINC000072339503 216157905 /nfs/dbraw/zinc/15/79/05/216157905.db2.gz SETFZGAZUWDXNX-UHFFFAOYSA-N 0 0 349.094 2.076 40 0 EEABRN COc1ccc2cc(C(=O)N[C@@H]3CC[C@@H]4OCCO[C@H]4C3)[nH]c2c1 ZINC000253397891 201186242 /nfs/dbraw/zinc/18/62/42/201186242.db2.gz GEQCVJXJNHOMRJ-DQYPLSBCSA-N 0 0 330.384 2.243 40 0 EEABRN COCC(=O)NC1CN(C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000284609832 201332079 /nfs/dbraw/zinc/33/20/79/201332079.db2.gz KEQPTJKBJAPISK-UHFFFAOYSA-N 0 0 343.836 2.041 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)[nH]n1 ZINC000161938367 201397838 /nfs/dbraw/zinc/39/78/38/201397838.db2.gz RPMFEPIBTJYJRW-SNVBAGLBSA-N 0 0 347.394 2.312 40 0 EEABRN CN(C)c1noc(CN2CCC(O)(c3ccccc3Cl)CC2)n1 ZINC000192824468 239902817 /nfs/dbraw/zinc/90/28/17/239902817.db2.gz YRVIFZJHWUSNJI-UHFFFAOYSA-N 0 0 336.823 2.273 40 0 EEABRN O=C(NCCCn1cnnc1[C@H](O)c1ccccc1)C1CCCC1 ZINC000195176059 240860493 /nfs/dbraw/zinc/86/04/93/240860493.db2.gz ZZMLMFQRMXJXLP-MRXNPFEDSA-N 0 0 328.416 2.056 40 0 EEABRN C[C@]1(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)CCCO1 ZINC000019461225 291359108 /nfs/dbraw/zinc/35/91/08/291359108.db2.gz RJRVSTKNYNCLAU-HNAYVOBHSA-N 0 0 330.428 2.018 40 0 EEABRN Cc1n[nH]c(C)c1CCc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000195569974 241016516 /nfs/dbraw/zinc/01/65/16/241016516.db2.gz GGTMXZAJYABJPT-UHFFFAOYSA-N 0 0 346.412 2.265 40 0 EEABRN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[C@@H](O)COc1ccccc1)C2=O ZINC000195569584 241017427 /nfs/dbraw/zinc/01/74/27/241017427.db2.gz SUJKIRIBNZEYFA-RBSFLKMASA-N 0 0 346.427 2.173 40 0 EEABRN CCNc1nc(S[C@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 ZINC000000804851 201491806 /nfs/dbraw/zinc/49/18/06/201491806.db2.gz IDQYDMZUGLSWKW-LLVKDONJSA-N 0 0 346.460 2.489 40 0 EEABRN O=S(=O)(Cc1ccccc1F)NC[C@H]1COc2ccccc2O1 ZINC000225258237 241813907 /nfs/dbraw/zinc/81/39/07/241813907.db2.gz SMZGCFXQVXDXCM-ZDUSSCGKSA-N 0 0 337.372 2.085 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3F)C2)nn1 ZINC000225428809 241858646 /nfs/dbraw/zinc/85/86/46/241858646.db2.gz PGXKDHSUHBYBLW-JTQLQIEISA-N 0 0 337.301 2.496 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 ZINC000225553706 241925184 /nfs/dbraw/zinc/92/51/84/241925184.db2.gz PQTUZIOAWWWLDN-WBMJQRKESA-N 0 0 342.399 2.030 40 0 EEABRN O=C1CCCN1CCNC(=S)Nc1ccc(Br)cc1 ZINC000225811479 242048591 /nfs/dbraw/zinc/04/85/91/242048591.db2.gz QMHMAPHOKARKFW-UHFFFAOYSA-N 0 0 342.262 2.358 40 0 EEABRN Cc1ccc(C(=O)NCCN2Cc3cc(F)ccc3OCC2=O)s1 ZINC000225771456 242028437 /nfs/dbraw/zinc/02/84/37/242028437.db2.gz DLRJMKSUENUYGF-UHFFFAOYSA-N 0 0 348.399 2.347 40 0 EEABRN Cn1nc(OCCC(=O)NC2CC2)c2cc(Br)ccc21 ZINC000227153832 242123736 /nfs/dbraw/zinc/12/37/36/242123736.db2.gz GXHKINXHLXECBK-UHFFFAOYSA-N 0 0 338.205 2.383 40 0 EEABRN Cc1cc(OCC(=O)OCCNC(=O)c2ccncc2)ccc1Cl ZINC000002679808 201540410 /nfs/dbraw/zinc/54/04/10/201540410.db2.gz GLDVIVUWYANMLS-UHFFFAOYSA-N 0 0 348.786 2.395 40 0 EEABRN CC(=O)OC[C@@H]1O[C@@H](CC(=O)c2ccccc2)C=C[C@H]1OC(C)=O ZINC000005518321 201653646 /nfs/dbraw/zinc/65/36/46/201653646.db2.gz FAAMMBOGNPMVTL-NXHRZFHOSA-N 0 0 332.352 2.078 40 0 EEABRN CCOC(=S)SCC(=O)NC(=O)Nc1ccccc1OC ZINC000005718183 201661170 /nfs/dbraw/zinc/66/11/70/201661170.db2.gz OXEXVJBAGFWNLA-UHFFFAOYSA-N 0 0 328.415 2.398 40 0 EEABRN Cn1ccc(NC(=O)CCCn2cc(COc3ccccc3)nn2)n1 ZINC000252499850 243819475 /nfs/dbraw/zinc/81/94/75/243819475.db2.gz SGIZXHFKKSKPQW-UHFFFAOYSA-N 0 0 340.387 2.010 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@H]2c2ncnn2C)cc1F ZINC000252508278 243832171 /nfs/dbraw/zinc/83/21/71/243832171.db2.gz XJBUOIWHGXGXMQ-DOMZBBRYSA-N 0 0 347.394 2.107 40 0 EEABRN O=C(NCCc1cnc(C2CC2)nc1)N1CCC([C@H]2CCCO2)CC1 ZINC000253430670 243983584 /nfs/dbraw/zinc/98/35/84/243983584.db2.gz XMMHCNCOWBAYIV-QGZVFWFLSA-N 0 0 344.459 2.497 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)CC[C@@H](CNc1ncccn1)CO2 ZINC000253480906 244000865 /nfs/dbraw/zinc/00/08/65/244000865.db2.gz ZPNXPNXYKRZEIV-AWEZNQCLSA-N 0 0 342.399 2.111 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(Cc2nccs2)C3)nc1 ZINC000253600637 244035247 /nfs/dbraw/zinc/03/52/47/244035247.db2.gz VDTPLUUNXDQNPX-AWEZNQCLSA-N 0 0 345.472 2.335 40 0 EEABRN COCc1cncc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000253613830 244039686 /nfs/dbraw/zinc/03/96/86/244039686.db2.gz ONBCMOPTHDRTLW-UHFFFAOYSA-N 0 0 336.388 2.114 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)c1 ZINC000253630326 244041912 /nfs/dbraw/zinc/04/19/12/244041912.db2.gz DPGCFRSLQVKWRB-ZDUSSCGKSA-N 0 0 327.384 2.195 40 0 EEABRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc[nH]c(=O)c1 ZINC000253630348 244042297 /nfs/dbraw/zinc/04/22/97/244042297.db2.gz CZAXXUQSHBATRM-LPHOPBHVSA-N 0 0 344.386 2.430 40 0 EEABRN Cc1nc(CN2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)no1 ZINC000093274044 203132986 /nfs/dbraw/zinc/13/29/86/203132986.db2.gz LOSNMSWLQCXCKU-UHFFFAOYSA-N 0 0 342.443 2.409 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CCN2C)cc1 ZINC000257202164 244121883 /nfs/dbraw/zinc/12/18/83/244121883.db2.gz AKSWZXDIPDHRTJ-SFHVURJKSA-N 0 0 342.443 2.024 40 0 EEABRN O=C(CCOc1ccccc1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257214940 244163663 /nfs/dbraw/zinc/16/36/63/244163663.db2.gz COAQLNRYEZYZMI-KRWDZBQOSA-N 0 0 341.411 2.106 40 0 EEABRN CC(=O)N1CCC(C)(c2cc(C(=O)N3CCC[C@H]3C)nc(C)n2)CC1 ZINC000257217536 244169123 /nfs/dbraw/zinc/16/91/23/244169123.db2.gz CZJQGABINLPEAK-CYBMUJFWSA-N 0 0 344.459 2.310 40 0 EEABRN Cc1ncc(-c2nccnc2CC2CCN(c3cnccn3)CC2)n1C ZINC000257231895 244216454 /nfs/dbraw/zinc/21/64/54/244216454.db2.gz GIQBCJDQOLFYLH-UHFFFAOYSA-N 0 0 349.442 2.435 40 0 EEABRN Cc1ccn(CCC(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)n1 ZINC000257224435 244193786 /nfs/dbraw/zinc/19/37/86/244193786.db2.gz FBUZYNZPKOQFKT-SFHVURJKSA-N 0 0 343.431 2.104 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)ccn1 ZINC000257224463 244194098 /nfs/dbraw/zinc/19/40/98/244194098.db2.gz FBYHOSIBGYCPQQ-OAHLLOKOSA-N 0 0 330.432 2.189 40 0 EEABRN COCCC(=O)N1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257227714 244203512 /nfs/dbraw/zinc/20/35/12/244203512.db2.gz FQPDNQYDUPFEPZ-GFCCVEGCSA-N 0 0 347.444 2.338 40 0 EEABRN Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)ccc12 ZINC000257243939 244251077 /nfs/dbraw/zinc/25/10/77/244251077.db2.gz IJEWHDWYQQCZHZ-CYBMUJFWSA-N 0 0 336.399 2.087 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000072378609 203211020 /nfs/dbraw/zinc/21/10/20/203211020.db2.gz OEKWWNRUFYAPNL-ZDUSSCGKSA-N 0 0 340.412 2.405 40 0 EEABRN COc1cc(CN2CCC(O)(c3cccnc3F)CC2)ccc1O ZINC000072339993 203203711 /nfs/dbraw/zinc/20/37/11/203203711.db2.gz AQSTXKLGWWXQJF-UHFFFAOYSA-N 0 0 332.375 2.419 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360228 203205284 /nfs/dbraw/zinc/20/52/84/203205284.db2.gz HFZSWBQHSBWAFF-CYBMUJFWSA-N 0 0 333.417 2.020 40 0 EEABRN Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378420 203208581 /nfs/dbraw/zinc/20/85/81/203208581.db2.gz AYNSCROYIVSNSZ-INIZCTEOSA-N 0 0 334.383 2.343 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@H](c3cnccn3)C2)c1 ZINC000072369402 203208646 /nfs/dbraw/zinc/20/86/46/203208646.db2.gz YMGPSQVZNLZEMB-ZDUSSCGKSA-N 0 0 333.413 2.054 40 0 EEABRN Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2ccncc2)C1 ZINC000257249833 244265252 /nfs/dbraw/zinc/26/52/52/244265252.db2.gz JJYGTOJWRWAMTH-SFHVURJKSA-N 0 0 336.395 2.340 40 0 EEABRN Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000257258238 244287146 /nfs/dbraw/zinc/28/71/46/244287146.db2.gz KSYAVQDFIJITAW-CQSZACIVSA-N 0 0 335.415 2.126 40 0 EEABRN Cc1cccc(N2CCC[C@H](NS(=O)(=O)c3cccs3)C2)n1 ZINC000257266928 244364943 /nfs/dbraw/zinc/36/49/43/244364943.db2.gz MFENNIHNHWVWQO-ZDUSSCGKSA-N 0 0 337.470 2.399 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000257268781 244369690 /nfs/dbraw/zinc/36/96/90/244369690.db2.gz MNECSDFNTSRGRV-DJIMGWMZSA-N 0 0 330.384 2.464 40 0 EEABRN O=C(c1ncccn1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257271617 244378649 /nfs/dbraw/zinc/37/86/49/244378649.db2.gz MZBIORMVSWYIDQ-LPHOPBHVSA-N 0 0 339.395 2.067 40 0 EEABRN C[C@]1(O)CCN(C(=O)CCCc2cn[nH]c2)C[C@@H]1Oc1ccccc1 ZINC000257264382 244354474 /nfs/dbraw/zinc/35/44/74/244354474.db2.gz LUCMTWVHARAKLT-HKUYNNGSSA-N 0 0 343.427 2.163 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1ccsc1 ZINC000257263927 244355616 /nfs/dbraw/zinc/35/56/16/244355616.db2.gz LSBXGTZDVJMNQO-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN CC(C)(C)c1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)[nH]n1 ZINC000257264330 244356528 /nfs/dbraw/zinc/35/65/28/244356528.db2.gz LTYLCZUFLBNPEP-HUUCEWRRSA-N 0 0 347.390 2.111 40 0 EEABRN COc1cc(CNC(=O)COCC2CC2)ccc1OC[C@H]1CCCO1 ZINC000040534174 203358334 /nfs/dbraw/zinc/35/83/34/203358334.db2.gz MXOIPZWURUIYJG-MRXNPFEDSA-N 0 0 349.427 2.296 40 0 EEABRN Cc1ccccc1CS(=O)(=O)NC[C@@H]1COc2ccccc2O1 ZINC000076670712 203361838 /nfs/dbraw/zinc/36/18/38/203361838.db2.gz FRFGTBMWLKQEJK-OAHLLOKOSA-N 0 0 333.409 2.254 40 0 EEABRN CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000040539181 203372745 /nfs/dbraw/zinc/37/27/45/203372745.db2.gz XQPOBTMIHAUFCF-ZDUSSCGKSA-N 0 0 336.388 2.055 40 0 EEABRN CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039395 203798230 /nfs/dbraw/zinc/79/82/30/203798230.db2.gz ZPSCMASOQVVTFS-IEBWSBKVSA-N 0 0 347.411 2.463 40 0 EEABRN CCO[C@H]1CO[C@]2(C1)CCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096107242 203836028 /nfs/dbraw/zinc/83/60/28/203836028.db2.gz WSCXOPBKFYYEJV-BEFAXECRSA-N 0 0 347.411 2.144 40 0 EEABRN Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2ccoc2)C3)cs1 ZINC000096108915 203838066 /nfs/dbraw/zinc/83/80/66/203838066.db2.gz YXYYOCLYSAPKRD-PBHICJAKSA-N 0 0 348.424 2.350 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)o1 ZINC000096048722 203808553 /nfs/dbraw/zinc/80/85/53/203808553.db2.gz UBWGPKHMKBCGHY-SFHVURJKSA-N 0 0 340.383 2.037 40 0 EEABRN O=C(NCc1cn2c(n1)CN(Cc1ccsc1)CC2)C1CCC1 ZINC000096197427 203860286 /nfs/dbraw/zinc/86/02/86/203860286.db2.gz UAGGFALEWCVRBM-UHFFFAOYSA-N 0 0 330.457 2.377 40 0 EEABRN CCOCC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096228247 203876585 /nfs/dbraw/zinc/87/65/85/203876585.db2.gz OHNOPFBHZHLSDU-UHFFFAOYSA-N 0 0 330.428 2.207 40 0 EEABRN Cc1nn(C)cc1CN(C)C(=O)[C@]1(C)Sc2ccccc2NC1=O ZINC000041644528 204051107 /nfs/dbraw/zinc/05/11/07/204051107.db2.gz ABIWJTVPPSHSJG-QGZVFWFLSA-N 0 0 344.440 2.190 40 0 EEABRN CCCn1nc(C(=O)/N=c2\ccccn2Cc2ccccc2)ccc1=O ZINC000105321499 204143607 /nfs/dbraw/zinc/14/36/07/204143607.db2.gz ADENLBHMJUZELV-DYTRJAOYSA-N 0 0 348.406 2.244 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108531195 204265751 /nfs/dbraw/zinc/26/57/51/204265751.db2.gz FMZBWFMJTVJWAS-ROUUACIJSA-N 0 0 341.411 2.099 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108534862 204267252 /nfs/dbraw/zinc/26/72/52/204267252.db2.gz YOXIQLGKQOBNCS-UHFFFAOYSA-N 0 0 330.432 2.086 40 0 EEABRN C[C@]1(c2cccc(NC(=O)C=Cc3cccs3)c2)NC(=O)NC1=O ZINC000047191005 204336650 /nfs/dbraw/zinc/33/66/50/204336650.db2.gz DBLNKXDSBNKFEO-IWAYRVGRSA-N 0 0 341.392 2.455 40 0 EEABRN Cc1nc2ccccn2c1-c1nnc2sc(CN3CCCC3)nn21 ZINC000227144000 205173648 /nfs/dbraw/zinc/17/36/48/205173648.db2.gz IETAQRFVXXBPLA-UHFFFAOYSA-N 0 0 339.428 2.405 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000131478400 205291390 /nfs/dbraw/zinc/29/13/90/205291390.db2.gz VUMGDBKKIRKJRU-HUUCEWRRSA-N 0 0 339.480 2.092 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=N[C@@H]2c1cccnc1 ZINC000101981744 206360029 /nfs/dbraw/zinc/36/00/29/206360029.db2.gz JGXOANBIZZJXEW-INIZCTEOSA-N 0 0 332.367 2.387 40 0 EEABRN O=C(c1cc2ccccn2c1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000095397113 218328889 /nfs/dbraw/zinc/32/88/89/218328889.db2.gz FMLGSNYZPRCACZ-OAHLLOKOSA-N 0 0 329.425 2.077 40 0 EEABRN CCc1cc(NC(=O)C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)n(C)n1 ZINC000095401126 218335583 /nfs/dbraw/zinc/33/55/83/218335583.db2.gz IVBGPQHXGPAFQU-DGCLKSJQSA-N 0 0 346.456 2.387 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000095412328 218349628 /nfs/dbraw/zinc/34/96/28/218349628.db2.gz MLPPURPJABEPQY-INIZCTEOSA-N 0 0 341.411 2.325 40 0 EEABRN COC(=O)[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000173622412 206943869 /nfs/dbraw/zinc/94/38/69/206943869.db2.gz BQLFXRZRVVXHNA-XHDPSFHLSA-N 0 0 332.379 2.318 40 0 EEABRN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H]1CCC(=O)N1 ZINC000096119225 218611078 /nfs/dbraw/zinc/61/10/78/218611078.db2.gz YZFRCVHEEKIKKB-GFCCVEGCSA-N 0 0 333.388 2.152 40 0 EEABRN COc1ccccc1N1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000096181087 218642860 /nfs/dbraw/zinc/64/28/60/218642860.db2.gz XREKSWKCYXXJTH-UHFFFAOYSA-N 0 0 334.807 2.045 40 0 EEABRN O=C(CSc1ccccc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096336177 218744595 /nfs/dbraw/zinc/74/45/95/218744595.db2.gz LJNGRIUWAPORIM-UHFFFAOYSA-N 0 0 342.346 2.431 40 0 EEABRN COc1ncccc1Cn1cnc2c(cnn2-c2ccccc2C)c1=O ZINC000176928882 207275809 /nfs/dbraw/zinc/27/58/09/207275809.db2.gz XILIAYLUNOLWEX-UHFFFAOYSA-N 0 0 347.378 2.343 40 0 EEABRN O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)NC1CC1 ZINC000014059804 207616265 /nfs/dbraw/zinc/61/62/65/207616265.db2.gz VHJJWYUFVNNGGE-GFCCVEGCSA-N 0 0 348.428 2.088 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 ZINC000014607200 207777920 /nfs/dbraw/zinc/77/79/20/207777920.db2.gz FTXBSPROJYBWDM-ZDUSSCGKSA-N 0 0 327.388 2.307 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)n1 ZINC000096439326 218819146 /nfs/dbraw/zinc/81/91/46/218819146.db2.gz VLTMNJGTDVFQHB-DGCLKSJQSA-N 0 0 346.479 2.169 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3coc(C)c3)C2=O)c1 ZINC000188016767 533074140 /nfs/dbraw/zinc/07/41/40/533074140.db2.gz BVGIGELEYKORBF-INIZCTEOSA-N 0 0 344.367 2.141 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC ZINC000408586834 257895596 /nfs/dbraw/zinc/89/55/96/257895596.db2.gz RROVKMNISJIWQT-UHFFFAOYSA-N 0 0 342.417 2.438 40 0 EEABRN C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1Cc1ccoc1 ZINC000306139688 257923942 /nfs/dbraw/zinc/92/39/42/257923942.db2.gz TXRROBWXGBIJOE-LLVKDONJSA-N 0 0 336.342 2.144 40 0 EEABRN COCC1(C(=O)Nc2ccc(I)cn2)CCC1 ZINC000252507299 258073249 /nfs/dbraw/zinc/07/32/49/258073249.db2.gz WGSHIAUTPWVSGB-UHFFFAOYSA-N 0 0 346.168 2.441 40 0 EEABRN c1cnc(N2CCC[C@@H](c3cnc(Nc4cnccn4)cn3)C2)nc1 ZINC000072368930 285545273 /nfs/dbraw/zinc/54/52/73/285545273.db2.gz ARAWHWBZLDTJAX-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccncc2)C1 ZINC000012088590 286664305 /nfs/dbraw/zinc/66/43/05/286664305.db2.gz KPIJTEBIILDVMM-OAHLLOKOSA-N 0 0 346.456 2.376 40 0 EEABRN CCN1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cccc2c43)CC1 ZINC000253495627 276193986 /nfs/dbraw/zinc/19/39/86/276193986.db2.gz LGSKQROEOMGQAD-UHFFFAOYSA-N 0 0 339.439 2.029 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F ZINC000257239914 278093144 /nfs/dbraw/zinc/09/31/44/278093144.db2.gz HRIPSYJDUWGEPG-HNNXBMFYSA-N 0 0 330.363 2.015 40 0 EEABRN O=C(c1cscn1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065729 280237615 /nfs/dbraw/zinc/23/76/15/280237615.db2.gz YXQADYAYACMCEK-JYJNAYRXSA-N 0 0 345.424 2.127 40 0 EEABRN CC[C@]1(CO)CCCN1C(=O)NCCc1nn(C)c2ccccc12 ZINC000225492702 281348776 /nfs/dbraw/zinc/34/87/76/281348776.db2.gz XLBWXSWTHIRMHO-GOSISDBHSA-N 0 0 330.432 2.062 40 0 EEABRN CC1=C[C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000035385022 281690692 /nfs/dbraw/zinc/69/06/92/281690692.db2.gz IJKCBAOIEJHMCO-LVQVYYBASA-N 0 0 338.407 2.165 40 0 EEABRN CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cnoc1C)CC2 ZINC000252007852 288759333 /nfs/dbraw/zinc/75/93/33/288759333.db2.gz PWZNBOIOOJFXES-MRXNPFEDSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257298546 292821467 /nfs/dbraw/zinc/82/14/67/292821467.db2.gz RMERWPFPDWUFCO-GJZGRUSLSA-N 0 0 342.420 2.313 40 0 EEABRN Cc1cc(/C=C2\c3cc(S(N)(=O)=O)ccc3NC2=O)cc(C)c1O ZINC000053107419 301035363 /nfs/dbraw/zinc/03/53/63/301035363.db2.gz GEOPNKPBIDVUPS-VGOFMYFVSA-N 0 0 344.392 2.149 40 0 EEABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C ZINC000223612772 301423439 /nfs/dbraw/zinc/42/34/39/301423439.db2.gz JVMDJANXXHDVGE-SJORKVTESA-N 0 0 344.484 2.392 40 0 EEABRN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)C1CCOCC1)C2 ZINC000225487720 301890636 /nfs/dbraw/zinc/89/06/36/301890636.db2.gz SYSXJJKUEXHLPS-INIZCTEOSA-N 0 0 344.411 2.479 40 0 biogenic,in-vitro EEABRN Cc1sc(=O)n(CCC(=O)N2CCC(Cc3ncc[nH]3)CC2)c1C ZINC000329154633 311653062 /nfs/dbraw/zinc/65/30/62/311653062.db2.gz CAYFQZAKWDMJTI-UHFFFAOYSA-N 0 0 348.472 2.121 40 0 EEABRN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000332230354 311973402 /nfs/dbraw/zinc/97/34/02/311973402.db2.gz DFRBCQNLMAPDQI-AWEZNQCLSA-N 0 0 327.306 2.021 40 0 EEABRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000334075414 312236616 /nfs/dbraw/zinc/23/66/16/312236616.db2.gz PNPVNPWIOXURLO-AAEUAGOBSA-N 0 0 327.787 2.193 40 0 EEABRN COc1sc(CN2C[C@H](CO)OC[C@H]2C)cc1Br ZINC000092041592 323320636 /nfs/dbraw/zinc/32/06/36/323320636.db2.gz JYQASHHXDIYOMW-RKDXNWHRSA-N 0 0 336.251 2.101 40 0 EEABRN CN(C(=O)CNC(=O)c1ccc(Br)cc1)C1CCC1 ZINC000155079635 323332105 /nfs/dbraw/zinc/33/21/05/323332105.db2.gz NUSQEQPSIJCQRC-UHFFFAOYSA-N 0 0 325.206 2.190 40 0 EEABRN CC(=O)NC(C)(C)c1noc(-c2cccc(CN3CCCC3=O)c2)n1 ZINC000193204541 465028076 /nfs/dbraw/zinc/02/80/76/465028076.db2.gz HTOIRQNFUNBNFO-UHFFFAOYSA-N 0 0 342.399 2.230 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)N[C@H](C)c1ccccc1)CS2 ZINC000085473666 462550418 /nfs/dbraw/zinc/55/04/18/462550418.db2.gz CJDUZCSLDUNZQJ-TZMCWYRMSA-N 0 0 329.425 2.151 40 0 EEABRN CCCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1 ZINC000000569465 462571333 /nfs/dbraw/zinc/57/13/33/462571333.db2.gz KSJXHQHTYJOQFI-UHFFFAOYSA-N 0 0 340.181 2.107 40 0 EEABRN O=S(=O)([C@H](c1ccccc1)[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000001717704 462585990 /nfs/dbraw/zinc/58/59/90/462585990.db2.gz UTWSDDSHGPSCFW-ZWKOTPCHSA-N 0 0 347.436 2.123 40 0 EEABRN Cc1cc(C)cc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000113966684 462618846 /nfs/dbraw/zinc/61/88/46/462618846.db2.gz HZXNMPJDOFGMSE-UHFFFAOYSA-N 0 0 338.473 2.472 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)C)cc1-c1nc(C(C)C)no1 ZINC000046020278 462638143 /nfs/dbraw/zinc/63/81/43/462638143.db2.gz NLCRQNVWFJQXJN-UHFFFAOYSA-N 0 0 325.390 2.119 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 ZINC000004894444 462639323 /nfs/dbraw/zinc/63/93/23/462639323.db2.gz SVNBIWQIGMUESY-MRXNPFEDSA-N 0 0 349.431 2.234 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000004944455 462641211 /nfs/dbraw/zinc/64/12/11/462641211.db2.gz XFQKWRCBARSXAY-VIFPVBQESA-N 0 0 345.380 2.085 40 0 EEABRN CCOC(=O)CNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000004996858 462642038 /nfs/dbraw/zinc/64/20/38/462642038.db2.gz HSSHGKVGUFWJTG-UHFFFAOYSA-N 0 0 339.442 2.080 40 0 EEABRN COc1cc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc(OC)c1 ZINC000004966148 462642692 /nfs/dbraw/zinc/64/26/92/462642692.db2.gz PAKSYHHGHPEBIQ-CYBMUJFWSA-N 0 0 342.399 2.349 40 0 EEABRN COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 ZINC000005675902 462665925 /nfs/dbraw/zinc/66/59/25/462665925.db2.gz XBTCZIPYYJVULR-UHFFFAOYSA-N 0 0 346.408 2.403 40 0 EEABRN O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000006221838 462679776 /nfs/dbraw/zinc/67/97/76/462679776.db2.gz RVSWOYZSGMDSAF-VXGBXAGGSA-N 0 0 334.235 2.031 40 0 EEABRN CC(C)(C)NC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000006563354 462690758 /nfs/dbraw/zinc/69/07/58/462690758.db2.gz MJIJRKYTBZMCMK-UHFFFAOYSA-N 0 0 331.397 2.478 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)CC1 ZINC000008041433 462763441 /nfs/dbraw/zinc/76/34/41/462763441.db2.gz XFGIRDDABJVDBM-HNNXBMFYSA-N 0 0 334.416 2.371 40 0 EEABRN CC1CCC(NC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC1 ZINC000012146598 462845889 /nfs/dbraw/zinc/84/58/89/462845889.db2.gz SEYVBQDARXOGFA-UHFFFAOYSA-N 0 0 346.456 2.249 40 0 EEABRN COc1ccc(OC)c2c1s/c(=N/C(=O)c1cc(C)nn1C)n2C ZINC000012226488 462848704 /nfs/dbraw/zinc/84/87/04/462848704.db2.gz ULVJTUNHQFYLDP-WUKNDPDISA-N 0 0 346.412 2.040 40 0 EEABRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(N2CCOCC2)ccn1 ZINC000132446022 462857068 /nfs/dbraw/zinc/85/70/68/462857068.db2.gz GMIFUDHMYJCWMW-QWFCFKBJSA-N 0 0 349.434 2.234 40 0 EEABRN CCOc1ccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)cc1 ZINC000013573966 462895842 /nfs/dbraw/zinc/89/58/42/462895842.db2.gz HELZIKUBIIFIAE-PTNGSMBKSA-N 0 0 348.424 2.411 40 0 EEABRN COc1cc(OC)cc(C(=O)NC(=S)NNc2ccccc2)c1 ZINC000014257588 462923373 /nfs/dbraw/zinc/92/33/73/462923373.db2.gz QKMSDRVSWSBHRS-UHFFFAOYSA-N 0 0 331.397 2.335 40 0 EEABRN O=C(CCCOc1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000014398468 462926273 /nfs/dbraw/zinc/92/62/73/462926273.db2.gz BSNRMFHJPVPZJQ-UHFFFAOYSA-N 0 0 340.851 2.338 40 0 EEABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)c2ccn(C)n2)on1 ZINC000019121529 463014251 /nfs/dbraw/zinc/01/42/51/463014251.db2.gz PDJCZNHNQYSQAZ-AWEZNQCLSA-N 0 0 340.387 2.094 40 0 EEABRN CC(C)CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000019447113 463018281 /nfs/dbraw/zinc/01/82/81/463018281.db2.gz NIURHWQOQNXQCW-ZWKOTPCHSA-N 0 0 343.471 2.006 40 0 EEABRN CN1CCC[C@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)C2 ZINC000019707223 463020818 /nfs/dbraw/zinc/02/08/18/463020818.db2.gz NNDKULKQXRWZJB-INIZCTEOSA-N 0 0 339.443 2.020 40 0 EEABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000078148486 463087153 /nfs/dbraw/zinc/08/71/53/463087153.db2.gz OOVOLAQIKSTHBI-LXZKKBNFSA-N 0 0 348.468 2.390 40 0 EEABRN COc1cccc(OCC(=O)N2CCN(c3nc(C)cs3)CC2)c1 ZINC000052641785 463097678 /nfs/dbraw/zinc/09/76/78/463097678.db2.gz IZUKUSUFWFYMET-UHFFFAOYSA-N 0 0 347.440 2.188 40 0 EEABRN COc1ccc(OCc2n[nH]c([C@H](N)c3cccc(OC)c3)n2)cc1 ZINC000095533548 463106781 /nfs/dbraw/zinc/10/67/81/463106781.db2.gz BYJLYRZBVVPDKE-QGZVFWFLSA-N 0 0 340.383 2.449 40 0 EEABRN CCCn1nnnc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776804 463148508 /nfs/dbraw/zinc/14/85/08/463148508.db2.gz UIOYZYMFCZQVJX-CYBMUJFWSA-N 0 0 325.420 2.339 40 0 EEABRN Cc1cccn2cc(CNC(=O)CCS(=O)(=O)C3CCCC3)nc12 ZINC000078777138 463149042 /nfs/dbraw/zinc/14/90/42/463149042.db2.gz GUCKHVCAKMDCMO-UHFFFAOYSA-N 0 0 349.456 2.006 40 0 EEABRN O=C(NC[C@@H]1COCc2c(-c3ccsc3)nnn2C1)c1ccco1 ZINC000096045660 463150072 /nfs/dbraw/zinc/15/00/72/463150072.db2.gz QHIKYMWVPBKAJO-NSHDSACASA-N 0 0 344.396 2.176 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096047736 463152029 /nfs/dbraw/zinc/15/20/29/463152029.db2.gz UMLJESAFIYRRNF-CZUORRHYSA-N 0 0 330.413 2.024 40 0 EEABRN O=C1[C@H]2CN(Cc3nccs3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053711 463156056 /nfs/dbraw/zinc/15/60/56/463156056.db2.gz KLQYEUAOWHNTIE-ZFWWWQNUSA-N 0 0 331.416 2.373 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000096052148 463156260 /nfs/dbraw/zinc/15/62/60/463156260.db2.gz JDVODTYNLFERTL-HNNXBMFYSA-N 0 0 348.468 2.143 40 0 EEABRN COCCN1C(=O)CCC[C@@]12CCCN(Cc1csc(C)n1)C2 ZINC000096077068 463168647 /nfs/dbraw/zinc/16/86/47/463168647.db2.gz CSQNBWPEPXFXAQ-KRWDZBQOSA-N 0 0 337.489 2.445 40 0 EEABRN CC(C)c1ccc(OCC(=O)N2CCC(S(C)(=O)=O)CC2)cc1 ZINC000096098201 463171825 /nfs/dbraw/zinc/17/18/25/463171825.db2.gz GGBLSXANXFBSDZ-UHFFFAOYSA-N 0 0 339.457 2.224 40 0 EEABRN COc1ccc(CCNC(=O)NCc2nn(C)c3c2CCCC3)cc1 ZINC000096099189 463173148 /nfs/dbraw/zinc/17/31/48/463173148.db2.gz VEPCNUCRXZOTGX-UHFFFAOYSA-N 0 0 342.443 2.349 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096105768 463174095 /nfs/dbraw/zinc/17/40/95/463174095.db2.gz WHZKJUOMMBYDDT-KRWDZBQOSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096109050 463176671 /nfs/dbraw/zinc/17/66/71/463176671.db2.gz FIMBNBWTWYELRK-KDOFPFPSSA-N 0 0 328.368 2.151 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)o1 ZINC000096108838 463176677 /nfs/dbraw/zinc/17/66/77/463176677.db2.gz VBQXUSWWHDOFJA-KDOFPFPSSA-N 0 0 328.368 2.151 40 0 EEABRN C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccs1 ZINC000096109709 463178220 /nfs/dbraw/zinc/17/82/20/463178220.db2.gz JKGPFRNZIXNBJD-ZDUSSCGKSA-N 0 0 348.472 2.126 40 0 EEABRN O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COCc2ccccn2)C1 ZINC000096111177 463180318 /nfs/dbraw/zinc/18/03/18/463180318.db2.gz WODWETAAKYHXMW-MJGOQNOKSA-N 0 0 345.443 2.295 40 0 EEABRN O=C(NCC1CC1)c1nc2c(o1)CN(C(=O)c1cccc(F)c1)C2 ZINC000096147313 463186350 /nfs/dbraw/zinc/18/63/50/463186350.db2.gz MHZGMHIKEKNRFC-UHFFFAOYSA-N 0 0 329.331 2.110 40 0 EEABRN Cc1cccc(N2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)n1 ZINC000096158197 463188752 /nfs/dbraw/zinc/18/87/52/463188752.db2.gz MLXVKCSDDBKFHM-LJQANCHMSA-N 0 0 337.427 2.313 40 0 EEABRN CCOC(=O)[C@]1(C)Oc2cc(NC(=O)C3CCC3)ccc2NC1=O ZINC000096182259 463194854 /nfs/dbraw/zinc/19/48/54/463194854.db2.gz JRHGAALPDOGLDF-QGZVFWFLSA-N 0 0 332.356 2.078 40 0 EEABRN CN(Cc1ccco1)[C@@H]1CN(C(=O)c2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185984 463197580 /nfs/dbraw/zinc/19/75/80/463197580.db2.gz JLZWTWDSTWLNBM-KURKYZTESA-N 0 0 341.411 2.179 40 0 EEABRN Cc1cc(CN2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187161 463199476 /nfs/dbraw/zinc/19/94/76/463199476.db2.gz UTVDYHOKJJDUIJ-SQNIBIBYSA-N 0 0 329.400 2.327 40 0 EEABRN CC(C)NC(=O)N1Cc2ccnn2C[C@@H](COCc2cccnc2)C1 ZINC000096189165 463200003 /nfs/dbraw/zinc/20/00/03/463200003.db2.gz FSZOECWZLDZZJW-INIZCTEOSA-N 0 0 343.431 2.045 40 0 EEABRN COc1ncccc1CN1CCc2cnn(C)c2[C@@H]1COCC1CC1 ZINC000096197780 463203299 /nfs/dbraw/zinc/20/32/99/463203299.db2.gz PDNXCHCHUFVWTB-KRWDZBQOSA-N 0 0 342.443 2.350 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccccc1)CN(C(=O)C1CCC1)C2 ZINC000096198614 463204247 /nfs/dbraw/zinc/20/42/47/463204247.db2.gz VNGIJQKHLACJMZ-INIZCTEOSA-N 0 0 340.427 2.258 40 0 EEABRN O=C(c1ccsc1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 ZINC000096199930 463205757 /nfs/dbraw/zinc/20/57/57/463205757.db2.gz USLSQSISXANJPY-OAHLLOKOSA-N 0 0 341.436 2.422 40 0 EEABRN COC(=O)Cc1csc(NC(=O)c2ccccc2-n2cccn2)n1 ZINC000079338353 463207461 /nfs/dbraw/zinc/20/74/61/463207461.db2.gz MOPFFWVTDGYYTJ-UHFFFAOYSA-N 0 0 342.380 2.297 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)NCCc2ccc3c(c2)CCO3)n1 ZINC000079349347 463207843 /nfs/dbraw/zinc/20/78/43/463207843.db2.gz UFYDETWWKVAYEC-AWEZNQCLSA-N 0 0 342.443 2.365 40 0 EEABRN CCOC[C@H]1Cn2cncc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096206922 463209911 /nfs/dbraw/zinc/20/99/11/463209911.db2.gz PPHLLIOUAPFUNY-OAHLLOKOSA-N 0 0 329.400 2.280 40 0 EEABRN O=C([O-])C[N@H+](C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391615 463209972 /nfs/dbraw/zinc/20/99/72/463209972.db2.gz QYJYLZILFJUZBE-OAHLLOKOSA-N 0 0 332.400 2.194 40 0 EEABRN CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096219808 463218224 /nfs/dbraw/zinc/21/82/24/463218224.db2.gz MJUOXZZBGXZSDO-WMLDXEAASA-N 0 0 344.440 2.048 40 0 EEABRN Cc1cccc(CN2CC[C@]3(CCCN(C(=O)NC(C)C)C3)C2=O)n1 ZINC000096224708 463221151 /nfs/dbraw/zinc/22/11/51/463221151.db2.gz XDSCYCSRXWOLRJ-IBGZPJMESA-N 0 0 344.459 2.323 40 0 EEABRN Cc1ccoc1C(=O)N1CCc2ncnc(-c3cnn(C)c3)c2CC1 ZINC000096255212 463228496 /nfs/dbraw/zinc/22/84/96/463228496.db2.gz UPBIXAYTIAFFAC-UHFFFAOYSA-N 0 0 337.383 2.020 40 0 EEABRN O=C(NCc1ccccc1)N1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255507 463228672 /nfs/dbraw/zinc/22/86/72/463228672.db2.gz HXRCZTPSQHRTMM-UHFFFAOYSA-N 0 0 337.427 2.361 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cc(Br)cs1 ZINC000079603583 463233918 /nfs/dbraw/zinc/23/39/18/463233918.db2.gz YJWVGNJRPPGCFP-HPOULIHZSA-N 0 0 341.234 2.320 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365757 463236177 /nfs/dbraw/zinc/23/61/77/463236177.db2.gz DGESXSYBGBDNAU-AWEZNQCLSA-N 0 0 346.408 2.240 40 0 EEABRN CCc1ncncc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000096406496 463240344 /nfs/dbraw/zinc/24/03/44/463240344.db2.gz ZXZIRTLROCRTBE-KRWDZBQOSA-N 0 0 338.411 2.307 40 0 EEABRN O=C(c1ncoc1[C@H]1CCCO1)N1CCCN(c2nccs2)CC1 ZINC000096406350 463240829 /nfs/dbraw/zinc/24/08/29/463240829.db2.gz OIFIIDHMVKVRIC-GFCCVEGCSA-N 0 0 348.428 2.335 40 0 EEABRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(C)n2C)c1 ZINC000096408634 463241946 /nfs/dbraw/zinc/24/19/46/463241946.db2.gz BDEZJMFMITXLCZ-HSZRJFAPSA-N 0 0 334.441 2.481 40 0 EEABRN C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccnc2ccnn21 ZINC000096409658 463242232 /nfs/dbraw/zinc/24/22/32/463242232.db2.gz RPHIAEDTTWINSA-LBPRGKRZSA-N 0 0 329.404 2.143 40 0 EEABRN O=C(Cc1ccccc1OC(F)F)NCCNC(=O)C1CCCC1 ZINC000096410972 463244123 /nfs/dbraw/zinc/24/41/23/463244123.db2.gz JCKOWOFZRBMTMN-UHFFFAOYSA-N 0 0 340.370 2.253 40 0 EEABRN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC2(CC1)OC[C@H](C)O2 ZINC000096414914 463246833 /nfs/dbraw/zinc/24/68/33/463246833.db2.gz DMRGGRXNGNZIED-STQMWFEESA-N 0 0 330.388 2.420 40 0 EEABRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(=O)N(C)C ZINC000096414246 463246944 /nfs/dbraw/zinc/24/69/44/463246944.db2.gz ZLUXAULAQFMQLM-LLVKDONJSA-N 0 0 330.350 2.431 40 0 EEABRN Cc1nc(CC(=O)NCCNc2nccc(C(F)(F)F)n2)cs1 ZINC000096414556 463247207 /nfs/dbraw/zinc/24/72/07/463247207.db2.gz YNTDLBOZIQRXCI-UHFFFAOYSA-N 0 0 345.350 2.031 40 0 EEABRN CCCCN(C)S(=O)(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000096416851 463249487 /nfs/dbraw/zinc/24/94/87/463249487.db2.gz YLJSUWKIHUXBKL-UHFFFAOYSA-N 0 0 343.840 2.309 40 0 EEABRN CCO[C@@H]1C[C@@H](N(C)c2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096419512 463250494 /nfs/dbraw/zinc/25/04/94/463250494.db2.gz HUHLZKUYCCKSLW-HUUCEWRRSA-N 0 0 345.447 2.445 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(Cl)c1F ZINC000096420345 463251429 /nfs/dbraw/zinc/25/14/29/463251429.db2.gz SBVHWSOMOYNABZ-CABZTGNLSA-N 0 0 328.771 2.085 40 0 EEABRN CC(C)n1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)n1 ZINC000096422095 463253007 /nfs/dbraw/zinc/25/30/07/463253007.db2.gz BZJIRPSLFBOOQP-UHFFFAOYSA-N 0 0 340.305 2.136 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)Cc3noc4ccccc43)CC2)S1 ZINC000096426963 463255727 /nfs/dbraw/zinc/25/57/27/463255727.db2.gz MBQZOLDBUZXBND-GFCCVEGCSA-N 0 0 344.440 2.006 40 0 EEABRN Cc1cc(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)no1 ZINC000096437017 463264772 /nfs/dbraw/zinc/26/47/72/463264772.db2.gz QQVZMTHKNJDQKO-GFCCVEGCSA-N 0 0 342.168 2.201 40 0 EEABRN CC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443887 463269790 /nfs/dbraw/zinc/26/97/90/463269790.db2.gz DVBJXHJNHRVPEC-RNFRBKRXSA-N 0 0 344.380 2.162 40 0 EEABRN CC[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000096443890 463269483 /nfs/dbraw/zinc/26/94/83/463269483.db2.gz DRWFUURDQIRNRI-ZETCQYMHSA-N 0 0 348.350 2.337 40 0 EEABRN CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443888 463269760 /nfs/dbraw/zinc/26/97/60/463269760.db2.gz DVBJXHJNHRVPEC-BQBZGAKWSA-N 0 0 344.380 2.162 40 0 EEABRN O=C(CNC(=O)c1ccc[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000096445600 463270793 /nfs/dbraw/zinc/27/07/93/463270793.db2.gz MOZLEFCTTVIDOA-UHFFFAOYSA-N 0 0 325.412 2.226 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)/C=C/c2ccc3ccccc3n2)cn1 ZINC000096450411 463271882 /nfs/dbraw/zinc/27/18/82/463271882.db2.gz MLXQVKQTNGXYRU-JBVUFVISSA-N 0 0 336.395 2.005 40 0 EEABRN CN(Cc1nc2ccccc2n1C)Cc1cc(=O)n2ccsc2n1 ZINC000096449183 463272145 /nfs/dbraw/zinc/27/21/45/463272145.db2.gz BRVCQYQGHHHLBH-UHFFFAOYSA-N 0 0 339.424 2.275 40 0 EEABRN NC(=O)C1(NC(=O)CCc2ccc(Br)cc2)CCCC1 ZINC000096451294 463272664 /nfs/dbraw/zinc/27/26/64/463272664.db2.gz DCEXMEZXJZDLDQ-UHFFFAOYSA-N 0 0 339.233 2.296 40 0 EEABRN O=C(c1ccccc1)N1CCCN(C(=O)c2ncncc2Cl)CC1 ZINC000096455532 463275651 /nfs/dbraw/zinc/27/56/51/463275651.db2.gz PEAGYSQWMKSOJF-UHFFFAOYSA-N 0 0 344.802 2.118 40 0 EEABRN O=C(Cn1ccnn1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000096454912 463275718 /nfs/dbraw/zinc/27/57/18/463275718.db2.gz DNCHWWPBGOMFQK-UHFFFAOYSA-N 0 0 347.422 2.157 40 0 EEABRN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCc1ccco1 ZINC000096471049 463278582 /nfs/dbraw/zinc/27/85/82/463278582.db2.gz JEUKBONRHHXFGB-UHFFFAOYSA-N 0 0 326.349 2.285 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000096470050 463278899 /nfs/dbraw/zinc/27/88/99/463278899.db2.gz JHLLDZUDVLEVHA-SFHVURJKSA-N 0 0 328.416 2.484 40 0 EEABRN COC(=O)CN(C(=O)c1cncc(Br)c1)C1CCCC1 ZINC000096475327 463280210 /nfs/dbraw/zinc/28/02/10/463280210.db2.gz LAGGBCSLUPNLJD-UHFFFAOYSA-N 0 0 341.205 2.402 40 0 EEABRN COC(=O)c1[nH]c(C)cc1NC(=O)CN1CCC(C(F)(F)F)CC1 ZINC000096495977 463289155 /nfs/dbraw/zinc/28/91/55/463289155.db2.gz HESSAMKVHZVGNS-UHFFFAOYSA-N 0 0 347.337 2.323 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2)c(C)c1 ZINC000030445358 463298975 /nfs/dbraw/zinc/29/89/75/463298975.db2.gz YZJVIXKYOUEZNX-UHFFFAOYSA-N 0 0 346.452 2.207 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@H]2SCCc3ccccc32)n1C ZINC000080243963 463299498 /nfs/dbraw/zinc/29/94/98/463299498.db2.gz DXDXZOSRHHEOCP-HNNXBMFYSA-N 0 0 330.457 2.133 40 0 EEABRN CN(C(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccc2c(c1)CCO2 ZINC000097095630 463321340 /nfs/dbraw/zinc/32/13/40/463321340.db2.gz GJKTYBZYKRLTQK-UHFFFAOYSA-N 0 0 346.333 2.293 40 0 EEABRN CCOCC(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238633 463353785 /nfs/dbraw/zinc/35/37/85/463353785.db2.gz SVYCADLAXMLTRI-CJNGLKHVSA-N 0 0 330.350 2.392 40 0 EEABRN CN1CCc2ccc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc21 ZINC000097373155 463355858 /nfs/dbraw/zinc/35/58/58/463355858.db2.gz YTFQGINTLHGHIB-UHFFFAOYSA-N 0 0 341.386 2.340 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000097953710 463367586 /nfs/dbraw/zinc/36/75/86/463367586.db2.gz MYBFHDCOCOVMLJ-RCCFBDPRSA-N 0 0 339.395 2.236 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1ccccc1Cl ZINC000033526311 463422808 /nfs/dbraw/zinc/42/28/08/463422808.db2.gz HVWUHVVBBBAZKU-UHFFFAOYSA-N 0 0 331.759 2.033 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Cl)cc1 ZINC000033915907 463425485 /nfs/dbraw/zinc/42/54/85/463425485.db2.gz ANAKPGRGFDIZLU-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CCCc1nnc(SCC(=O)NC(C)(C)C)n1C[C@H]1CCCO1 ZINC000035313807 463430804 /nfs/dbraw/zinc/43/08/04/463430804.db2.gz DNTGUHJTJGFHJQ-GFCCVEGCSA-N 0 0 340.493 2.416 40 0 EEABRN CCc1ccc(-c2noc(-c3coc(S(=O)(=O)NC)c3)n2)cc1 ZINC000161588397 463441759 /nfs/dbraw/zinc/44/17/59/463441759.db2.gz NJHNVTRMCXKDGD-UHFFFAOYSA-N 0 0 333.369 2.467 40 0 EEABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(C=O)CC1 ZINC000038756718 463448502 /nfs/dbraw/zinc/44/85/02/463448502.db2.gz WYGBLTURKXAXCN-QGZVFWFLSA-N 0 0 326.396 2.298 40 0 EEABRN CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000072228081 463483833 /nfs/dbraw/zinc/48/38/33/463483833.db2.gz GQSLLKBRBRASEN-SJORKVTESA-N 0 0 326.352 2.229 40 0 EEABRN CSCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000058151890 463543429 /nfs/dbraw/zinc/54/34/29/463543429.db2.gz ARLKYGMPRIWMAD-VXGBXAGGSA-N 0 0 339.486 2.130 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000083612922 463552144 /nfs/dbraw/zinc/55/21/44/463552144.db2.gz QAQOQXUZWXCDNI-ZDUSSCGKSA-N 0 0 332.853 2.093 40 0 EEABRN O=C1CCCN1C[C@@H](O)CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496635 463607006 /nfs/dbraw/zinc/60/70/06/463607006.db2.gz ZHVOVMMMASOBTD-ZDUSSCGKSA-N 0 0 343.254 2.335 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)OCc2cn3ccccc3n2)cc1 ZINC000058635514 463615332 /nfs/dbraw/zinc/61/53/32/463615332.db2.gz RSFCIFLRBRZQRZ-UHFFFAOYSA-N 0 0 345.380 2.063 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N[C@@H]1CCCCNC1=O ZINC000164439378 463624153 /nfs/dbraw/zinc/62/41/53/463624153.db2.gz DNSGZZCFXSMUIX-WMLDXEAASA-N 0 0 345.443 2.083 40 0 EEABRN CCN(CC(N)=O)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000193492674 463716150 /nfs/dbraw/zinc/71/61/50/463716150.db2.gz KNSTYJXLTYKXGN-UHFFFAOYSA-N 0 0 337.423 2.257 40 0 EEABRN COc1cccc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1F ZINC000257278478 463758207 /nfs/dbraw/zinc/75/82/07/463758207.db2.gz OCKWIMZRPQMBDF-CYBMUJFWSA-N 0 0 346.406 2.249 40 0 EEABRN Cn1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000257295867 463766997 /nfs/dbraw/zinc/76/69/97/463766997.db2.gz RAFCGKWDACNNCS-OAHLLOKOSA-N 0 0 338.411 2.233 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCOC[C@H]3c3nc(C)c[nH]3)c2c1 ZINC000257302754 463769268 /nfs/dbraw/zinc/76/92/68/463769268.db2.gz SEFDKXQYXZDLRU-INIZCTEOSA-N 0 0 340.383 2.422 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)COc3ccccc3Cl)CCO2)n1 ZINC000257312433 463773927 /nfs/dbraw/zinc/77/39/27/463773927.db2.gz UNXUYVDBJVJQJU-INIZCTEOSA-N 0 0 347.802 2.417 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)Cn2cc(Cl)cn2)CCN1C ZINC000257318534 463776667 /nfs/dbraw/zinc/77/66/67/463776667.db2.gz VOHSCYYJLBKWIE-OAHLLOKOSA-N 0 0 348.834 2.060 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 ZINC000257326927 463779623 /nfs/dbraw/zinc/77/96/23/463779623.db2.gz WZDJJMGWYZUVNM-MRXNPFEDSA-N 0 0 345.374 2.241 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332394 463780887 /nfs/dbraw/zinc/78/08/87/463780887.db2.gz XXDADMNUVSFFEE-MRXNPFEDSA-N 0 0 345.468 2.486 40 0 EEABRN CCc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257339235 463783798 /nfs/dbraw/zinc/78/37/98/463783798.db2.gz ZAVIMVKBKWISSM-HZPDHXFCSA-N 0 0 338.398 2.165 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)n1 ZINC000257341226 463785660 /nfs/dbraw/zinc/78/56/60/463785660.db2.gz ZJKLYHWDITUFMH-HNNXBMFYSA-N 0 0 325.372 2.117 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257343342 463787957 /nfs/dbraw/zinc/78/79/57/463787957.db2.gz ZSMWUKUDWYDVOT-YJBOKZPZSA-N 0 0 334.391 2.498 40 0 EEABRN Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc3nsnc32)s1 ZINC000194792275 463929103 /nfs/dbraw/zinc/92/91/03/463929103.db2.gz KAGBOZGADXFTEV-MRVPVSSYSA-N 0 0 340.455 2.496 40 0 EEABRN CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186251133 463961822 /nfs/dbraw/zinc/96/18/22/463961822.db2.gz SQNSGEIASWDCDJ-NWDGAFQWSA-N 0 0 345.365 2.354 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)no1 ZINC000195494645 464060692 /nfs/dbraw/zinc/06/06/92/464060692.db2.gz RTGWKPCZOVBDMV-QGPMSJSTSA-N 0 0 348.491 2.042 40 0 EEABRN COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000222834025 464134569 /nfs/dbraw/zinc/13/45/69/464134569.db2.gz BILKMRLLBBDIBU-CYBMUJFWSA-N 0 0 340.851 2.476 40 0 EEABRN CC(C)CCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223270581 464139386 /nfs/dbraw/zinc/13/93/86/464139386.db2.gz GNRPBCQTCYIDBG-LLVKDONJSA-N 0 0 348.415 2.282 40 0 EEABRN O=C(Nc1cnc(N2CCOCC2)nc1)Nc1cc(F)cc(F)c1 ZINC000224264417 464150059 /nfs/dbraw/zinc/15/00/59/464150059.db2.gz FSPMLVPRQDKUSV-UHFFFAOYSA-N 0 0 335.314 2.235 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COCC(C)C ZINC000224452660 464151267 /nfs/dbraw/zinc/15/12/67/464151267.db2.gz OGBIZWRERQWZMK-UHFFFAOYSA-N 0 0 348.443 2.205 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000225677857 464179690 /nfs/dbraw/zinc/17/96/90/464179690.db2.gz MXLRIJVRLUVWCU-AWEZNQCLSA-N 0 0 327.384 2.395 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)C[C@H]1C ZINC000225697836 464180941 /nfs/dbraw/zinc/18/09/41/464180941.db2.gz TXSGWJPGYURZQL-PITQQHRWSA-N 0 0 346.427 2.392 40 0 EEABRN COC(=O)[C@H]1C[C@H](O)CN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000188606734 464321850 /nfs/dbraw/zinc/32/18/50/464321850.db2.gz FYZMYOXUMXALAG-GXFFZTMASA-N 0 0 336.775 2.103 40 0 EEABRN Cn1nc(C(=O)N[C@@](C)(CO)C2CCCCC2)cc1OC(F)F ZINC000189121663 464438029 /nfs/dbraw/zinc/43/80/29/464438029.db2.gz WHPGZRHMLGTEND-HNNXBMFYSA-N 0 0 331.363 2.083 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000238862705 464439384 /nfs/dbraw/zinc/43/93/84/464439384.db2.gz LAQGGMDRBIQGJG-RYUDHWBXSA-N 0 0 348.428 2.476 40 0 EEABRN CC(C)(C)OC(=O)[C@@H]1CSCCN1Cc1ncnn1C(C)(C)C ZINC000239636938 464443996 /nfs/dbraw/zinc/44/39/96/464443996.db2.gz BHRARSXEUXTOAG-LBPRGKRZSA-N 0 0 340.493 2.292 40 0 EEABRN Cc1nnsc1C(=O)N[C@@H]1CC[C@@H](Oc2nc(C)cc(C)n2)CC1 ZINC000245020819 464467075 /nfs/dbraw/zinc/46/70/75/464467075.db2.gz MINPQZILGRACIO-JOCQHMNTSA-N 0 0 347.444 2.373 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000245358607 464470829 /nfs/dbraw/zinc/47/08/29/464470829.db2.gz ZSZZLKGGTYAELQ-JAFJMASLSA-N 0 0 330.494 2.133 40 0 EEABRN CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000189965205 464573844 /nfs/dbraw/zinc/57/38/44/464573844.db2.gz UYVOYCMNGCRBFT-ZDUSSCGKSA-N 0 0 328.771 2.445 40 0 EEABRN O=C(c1ncccn1)N1CC2(C1)C[C@H](OCC1CCCC1)CCO2 ZINC000247841908 464709511 /nfs/dbraw/zinc/70/95/11/464709511.db2.gz FSBFFDOGOFMNTB-OAHLLOKOSA-N 0 0 331.416 2.057 40 0 EEABRN FC(F)(F)c1ccn(C2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000295114276 464710294 /nfs/dbraw/zinc/71/02/94/464710294.db2.gz VVEFPSXYJZDVIS-UHFFFAOYSA-N 0 0 337.309 2.181 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000192462075 464929695 /nfs/dbraw/zinc/92/96/95/464929695.db2.gz RFYDPVHSGDYQRY-GFCCVEGCSA-N 0 0 344.502 2.288 40 0 EEABRN CCc1oncc1C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000252482939 464961885 /nfs/dbraw/zinc/96/18/85/464961885.db2.gz DQPMJFDJXHMRMA-HNNXBMFYSA-N 0 0 342.443 2.178 40 0 EEABRN COc1ccccc1O[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000286574906 464965171 /nfs/dbraw/zinc/96/51/71/464965171.db2.gz QQISPTBFJAYJMO-CYBMUJFWSA-N 0 0 339.399 2.420 40 0 EEABRN CC[C@@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)N1CCO[C@H](CC)C1 ZINC000252493730 464968104 /nfs/dbraw/zinc/96/81/04/464968104.db2.gz NFLMZBXGTURPAT-PMPSAXMXSA-N 0 0 334.464 2.353 40 0 EEABRN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1[C@H]1CCCC[C@H]1O ZINC000252548612 464982379 /nfs/dbraw/zinc/98/23/79/464982379.db2.gz QGWSBBPVQZQHIV-ZOWXZIJZSA-N 0 0 342.317 2.300 40 0 EEABRN Cc1cc([C@@H]2CCCN2CC(=O)NC(N)=O)ccc1Br ZINC000253432359 465014304 /nfs/dbraw/zinc/01/43/04/465014304.db2.gz JVOHDPYLBWHTDT-LBPRGKRZSA-N 0 0 340.221 2.089 40 0 EEABRN COCC[C@@H]1COCCN1C(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000332074158 466373535 /nfs/dbraw/zinc/37/35/35/466373535.db2.gz DWNUCYMVJWPDSN-CYBMUJFWSA-N 0 0 349.456 2.335 40 0 EEABRN CN(C)C(=O)N1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 ZINC000306132967 466491678 /nfs/dbraw/zinc/49/16/78/466491678.db2.gz LXSRWZXEBHLXGE-OAHLLOKOSA-N 0 0 333.432 2.403 40 0 EEABRN CC(=O)N1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144254 466494476 /nfs/dbraw/zinc/49/44/76/466494476.db2.gz ZALBXTSAGYPMLR-SJORKVTESA-N 0 0 327.359 2.055 40 0 EEABRN CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408597955 466682146 /nfs/dbraw/zinc/68/21/46/466682146.db2.gz WYQOCRIPNOUVDM-QGZVFWFLSA-N 0 0 346.452 2.102 40 0 EEABRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N[C@@H]1CNC(=O)C1 ZINC000390833254 467414386 /nfs/dbraw/zinc/41/43/86/467414386.db2.gz FHLITVFVFPBPRF-JTQLQIEISA-N 0 0 348.309 2.162 40 0 EEABRN COc1ccc2occ(C(=O)NCCc3nnc4n3CCCC4)c2c1 ZINC000390835570 467415307 /nfs/dbraw/zinc/41/53/07/467415307.db2.gz QYXNQHWJLMRXOQ-UHFFFAOYSA-N 0 0 340.383 2.342 40 0 EEABRN O=S(=O)(NC[C@H]1CCCN(Cc2ncccc2Cl)C1)C1CC1 ZINC000528501348 467689942 /nfs/dbraw/zinc/68/99/42/467689942.db2.gz FLKLHMLOMPQRKE-GFCCVEGCSA-N 0 0 343.880 2.029 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406400 468142531 /nfs/dbraw/zinc/14/25/31/468142531.db2.gz OOCGKPQQCFHBBL-HILJTLORSA-N 0 0 330.428 2.118 40 0 EEABRN COc1nc(CNC(=O)Nc2cccs2)nc(N2CCCCC2)n1 ZINC000575604062 468146121 /nfs/dbraw/zinc/14/61/21/468146121.db2.gz PMTYOZQHGYCTRC-UHFFFAOYSA-N 0 0 348.432 2.254 40 0 EEABRN CN1CC[C@]2(CN(C(=O)c3cccc(F)c3)CC(F)(F)C2)C1=O ZINC000585093257 468963785 /nfs/dbraw/zinc/96/37/85/468963785.db2.gz LVUFCWWMXRBMNJ-HNNXBMFYSA-N 0 0 326.318 2.155 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C ZINC000585096602 468964492 /nfs/dbraw/zinc/96/44/92/468964492.db2.gz VRBNYCOJXOEXTR-CYBMUJFWSA-N 0 0 332.448 2.045 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585104086 468972365 /nfs/dbraw/zinc/97/23/65/468972365.db2.gz FWWLCTJOBHNJOK-OAHLLOKOSA-N 0 0 327.409 2.256 40 0 EEABRN CC1CCN(C(=O)[C@H]2CN(Cc3ccoc3)Cc3ncn(C)c32)CC1 ZINC000585110852 468973818 /nfs/dbraw/zinc/97/38/18/468973818.db2.gz QKSFKEZAFZUQNF-INIZCTEOSA-N 0 0 342.443 2.371 40 0 EEABRN Cc1ccc(-c2n[nH]c3c2CCN(C(=O)C2CC(O)C2)CC3)cc1 ZINC000585110431 468974073 /nfs/dbraw/zinc/97/40/73/468974073.db2.gz UGNFYMWCAYHADT-UHFFFAOYSA-N 0 0 325.412 2.083 40 0 EEABRN CCn1cc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)cn1 ZINC000585111847 468974832 /nfs/dbraw/zinc/97/48/32/468974832.db2.gz HQESDIRHHQVSDT-KRWDZBQOSA-N 0 0 338.415 2.130 40 0 EEABRN C[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)n1nc(C2CC2)ccc1=O ZINC000585149946 468994463 /nfs/dbraw/zinc/99/44/63/468994463.db2.gz JONQSUALXJTXJN-JTQLQIEISA-N 0 0 343.349 2.483 40 0 EEABRN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccncc3)C2)cn2cccc12 ZINC000585182443 468995867 /nfs/dbraw/zinc/99/58/67/468995867.db2.gz VUIXIUGHNWQRJI-OAHLLOKOSA-N 0 0 335.411 2.425 40 0 EEABRN O=C(c1ccccc1F)N1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585269424 468997063 /nfs/dbraw/zinc/99/70/63/468997063.db2.gz SWDLKPUIQZJDPP-LJQANCHMSA-N 0 0 345.370 2.108 40 0 EEABRN Cc1cnccc1CN1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585268937 468997163 /nfs/dbraw/zinc/99/71/63/468997163.db2.gz DZHDSVOYPHMFRG-IBGZPJMESA-N 0 0 346.402 2.171 40 0 EEABRN Cc1ccc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000585269357 468997472 /nfs/dbraw/zinc/99/74/72/468997472.db2.gz QIHWOIOHYPQEDO-IBGZPJMESA-N 0 0 346.402 2.171 40 0 EEABRN CCCn1cc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277561 469002208 /nfs/dbraw/zinc/00/22/08/469002208.db2.gz NCAANTSEFQGHES-LJQANCHMSA-N 0 0 347.434 2.238 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585278309 469002835 /nfs/dbraw/zinc/00/28/35/469002835.db2.gz BSLVRHZGGCWKHE-AEFFLSMTSA-N 0 0 345.418 2.324 40 0 EEABRN COc1cc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)ccn1 ZINC000585279824 469005858 /nfs/dbraw/zinc/00/58/58/469005858.db2.gz QAGWZKKXAGPCQC-PBHICJAKSA-N 0 0 344.386 2.295 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)c3cccnc3N)C[C@@H]2O)c1 ZINC000585279471 469006566 /nfs/dbraw/zinc/00/65/66/469006566.db2.gz MQLCXUFSVIAXLE-WBVHZDCISA-N 0 0 325.412 2.038 40 0 EEABRN Cc1cc(CC(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000585284555 469007761 /nfs/dbraw/zinc/00/77/61/469007761.db2.gz JRDAPMXTFMQTFA-LSBZLQRGSA-N 0 0 344.411 2.250 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cn(C)cn3)[C@H]2O)c1 ZINC000585286163 469010013 /nfs/dbraw/zinc/01/00/13/469010013.db2.gz JTQUILDIGBEJHN-ZTFGCOKTSA-N 0 0 343.427 2.067 40 0 EEABRN C[C@@H]1OCCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H]1C(F)(F)F ZINC000622981682 469513388 /nfs/dbraw/zinc/51/33/88/469513388.db2.gz CYVZFOBGOZLSQG-ZANVPECISA-N 0 0 327.306 2.365 40 0 EEABRN C[C@@]1(O)CC[N@H+](CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383068 485649030 /nfs/dbraw/zinc/64/90/30/485649030.db2.gz CZNNTSRAVGNGHE-CMKODMSKSA-N 0 0 328.456 2.489 40 0 biogenic,in-vitro EEABRN CC(C)(CCS(C)(=O)=O)CNC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000096440713 500602823 /nfs/dbraw/zinc/60/28/23/500602823.db2.gz DGKBQSKQJQQNRT-UONOGXRCSA-N 0 0 330.494 2.421 40 0 EEABRN O=C(c1cccs1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048397 501077567 /nfs/dbraw/zinc/07/75/67/501077567.db2.gz QNNXDEIWVMJGOL-SUMWQHHRSA-N 0 0 344.440 2.414 40 0 EEABRN C[C@H]1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000191437322 533864577 /nfs/dbraw/zinc/86/45/77/533864577.db2.gz MLDAXOBIPVHDGK-GXFFZTMASA-N 0 0 332.322 2.405 40 0 EEABRN COc1ccccc1CCN(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000096446607 534036061 /nfs/dbraw/zinc/03/60/61/534036061.db2.gz QFRJNBHZYQEVGS-UHFFFAOYSA-N 0 0 337.445 2.405 40 0 EEABRN Cc1cccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000010447768 534713420 /nfs/dbraw/zinc/71/34/20/534713420.db2.gz VNDRQCOUDUWBNC-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN CCOC(=O)N[C@@H]1[C@H](O)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2O[C@@H]1OC ZINC000004531026 529097054 /nfs/dbraw/zinc/09/70/54/529097054.db2.gz OGNXEDDZAJYKJV-PNVOZDDCSA-N 0 0 349.427 2.417 40 0 EEABRN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000242821245 564120355 /nfs/dbraw/zinc/12/03/55/564120355.db2.gz FKZNIFZLKVVYLC-CYBMUJFWSA-N 0 0 348.443 2.471 40 0 EEABRN Cn1nccc1NC(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC000930805917 1206584634 /nfs/dbraw/zinc/58/46/34/1206584634.db2.gz OYROFLQIEWGFOL-UHFFFAOYSA-N 0 0 339.321 2.449 40 0 EEABRN CN(Cc1nnc2ccccn21)C(=O)[C@@]1(c2ccccc2)CCCO1 ZINC000931296226 1206623045 /nfs/dbraw/zinc/62/30/45/1206623045.db2.gz ZPKVEOJAEIRLPC-IBGZPJMESA-N 0 0 336.395 2.394 40 0 EEABRN CCNc1nc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cs1 ZINC000157520318 789810423 /nfs/dbraw/zinc/81/04/23/789810423.db2.gz UWNCBIKATWWLRR-CYBMUJFWSA-N 0 0 339.461 2.375 40 0 EEABRN O=C(CN1CC[C@](F)(c2cc(F)cc(F)c2)C1)Nc1cccnn1 ZINC001548453594 1124295581 /nfs/dbraw/zinc/29/55/81/1124295581.db2.gz SBHPWBPTGSVXOE-MRXNPFEDSA-N 0 0 336.317 2.264 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000173507069 230956446 /nfs/dbraw/zinc/95/64/46/230956446.db2.gz AVYMRWDJSZUYFF-SWLSCSKDSA-N 0 0 344.463 2.280 40 0 EEABRN CCc1ccc(NC(=O)C(=O)NCCOc2ccccc2OC)cc1 ZINC000059488230 529669298 /nfs/dbraw/zinc/66/92/98/529669298.db2.gz FUVDMDWWNCDXBF-UHFFFAOYSA-N 0 0 342.395 2.391 40 0 EEABRN CC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000169296316 529701817 /nfs/dbraw/zinc/70/18/17/529701817.db2.gz WBTXSYLBOXAEQH-SOETTZPCSA-N 0 0 341.407 2.310 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CCCC3)n2)o1 ZINC000012182915 201830351 /nfs/dbraw/zinc/83/03/51/201830351.db2.gz SGZDSCBUABXNTR-NSHDSACASA-N 0 0 330.388 2.014 40 0 EEABRN Cn1nccc1C(=O)C1CCN(C(=O)CSc2ccncc2)CC1 ZINC000012337207 201839109 /nfs/dbraw/zinc/83/91/09/201839109.db2.gz VYDRFKPTCZIULT-UHFFFAOYSA-N 0 0 344.440 2.029 40 0 EEABRN CSc1ncc(-c2nnsc2C(=O)OCc2cccnc2)cn1 ZINC000223857288 539657956 /nfs/dbraw/zinc/65/79/56/539657956.db2.gz KFKVCFPHOYPSQV-UHFFFAOYSA-N 0 0 345.409 2.469 40 0 EEABRN CCc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)nc(C)n1 ZINC000281347754 539714991 /nfs/dbraw/zinc/71/49/91/539714991.db2.gz BZIGLSUEBNLVDA-ZFWWWQNUSA-N 0 0 348.426 2.088 40 0 EEABRN COC(=O)C1=C(N2CCCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC ZINC000001591008 290926619 /nfs/dbraw/zinc/92/66/19/290926619.db2.gz WEPFRJIQIIGTEM-UGSOOPFHSA-N 0 0 345.420 2.324 40 0 in-vivo EEABRN c1cncc(CN(CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338598 202004149 /nfs/dbraw/zinc/00/41/49/202004149.db2.gz SGSUWZDZKWSYOH-UHFFFAOYSA-N 0 0 326.444 2.201 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000023602513 202105901 /nfs/dbraw/zinc/10/59/01/202105901.db2.gz HNZDOMRRKMINAW-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN O=C(COc1ccccc1)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028284176 202168904 /nfs/dbraw/zinc/16/89/04/202168904.db2.gz ZLIVRAWJKTZYQF-UONOGXRCSA-N 0 0 348.424 2.188 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccc(C)c2)cc1 ZINC000031108605 202202505 /nfs/dbraw/zinc/20/25/05/202202505.db2.gz JVENSDDZSRLWPP-UHFFFAOYSA-N 0 0 346.452 2.152 40 0 EEABRN CN1C[C@H](c2ccccc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)C1=O ZINC000105036613 283247068 /nfs/dbraw/zinc/24/70/68/283247068.db2.gz DSQBOZHYIVOVPQ-MRXNPFEDSA-N 0 0 337.423 2.493 40 0 EEABRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCc2ccco2)cc1 ZINC000186946473 236073747 /nfs/dbraw/zinc/07/37/47/236073747.db2.gz DACAEYIZEWFYAY-ZDUSSCGKSA-N 0 0 336.413 2.250 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3coc(C)c3)C2=O)c1 ZINC000188016746 236386821 /nfs/dbraw/zinc/38/68/21/236386821.db2.gz BVGIGELEYKORBF-MRXNPFEDSA-N 0 0 344.367 2.141 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)c1ccsc1 ZINC000096473483 237059671 /nfs/dbraw/zinc/05/96/71/237059671.db2.gz CFQXNAIIXZRJRI-WCQYABFASA-N 0 0 349.460 2.424 40 0 EEABRN CCc1ocnc1C(=O)N1CCN(c2nncc3ccccc32)CC1 ZINC000073102352 202368842 /nfs/dbraw/zinc/36/88/42/202368842.db2.gz PXFTZRCOEDAHDY-UHFFFAOYSA-N 0 0 337.383 2.143 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@H]1c1ccccc1 ZINC000072237893 202357018 /nfs/dbraw/zinc/35/70/18/202357018.db2.gz JOCMBGKHTNFDKH-MSOLQXFVSA-N 0 0 342.370 2.040 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000072238073 202357214 /nfs/dbraw/zinc/35/72/14/202357214.db2.gz OIIPHNLCMGTVBP-QZTJIDSGSA-N 0 0 342.370 2.040 40 0 EEABRN O=C(CN1CCC[C@H]1CO)Nc1c(F)cc(F)cc1Br ZINC000072517760 202364318 /nfs/dbraw/zinc/36/43/18/202364318.db2.gz GKAKSCCFJSBMCN-VIFPVBQESA-N 0 0 349.175 2.123 40 0 EEABRN Cn1nc(CNC(=O)CSC2CCCC2)c2ccccc2c1=O ZINC000075148859 202374534 /nfs/dbraw/zinc/37/45/34/202374534.db2.gz HAEOHVLJJMWHJN-UHFFFAOYSA-N 0 0 331.441 2.226 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)CC[C@H]3CCCO3)CC2)n1 ZINC000075391184 202381201 /nfs/dbraw/zinc/38/12/01/202381201.db2.gz QOADERQEKJGMHV-CYBMUJFWSA-N 0 0 338.477 2.098 40 0 EEABRN O=C(OCCNc1ncccn1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000073291539 202369944 /nfs/dbraw/zinc/36/99/44/202369944.db2.gz KXFTULDSSRTWMX-UHFFFAOYSA-N 0 0 347.762 2.237 40 0 EEABRN CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077845235 202394463 /nfs/dbraw/zinc/39/44/63/202394463.db2.gz QZDDTMCQRZTMFP-BJOHPYRUSA-N 0 0 330.787 2.331 40 0 EEABRN CCN(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000078556496 202397114 /nfs/dbraw/zinc/39/71/14/202397114.db2.gz PWTJWWPJHKTXSB-HZPDHXFCSA-N 0 0 347.440 2.069 40 0 EEABRN CCCO[C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000078671207 202398211 /nfs/dbraw/zinc/39/82/11/202398211.db2.gz ZZZOUSAZRIBDJR-KRWDZBQOSA-N 0 0 343.431 2.013 40 0 EEABRN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NC2CCOCC2)CC1 ZINC000078657105 202398345 /nfs/dbraw/zinc/39/83/45/202398345.db2.gz YCSGEYMDLVORID-UHFFFAOYSA-N 0 0 341.452 2.206 40 0 EEABRN O=S(=O)(c1cc(F)ccc1NCC1(O)CCC1)C(F)(F)F ZINC000078619155 202398521 /nfs/dbraw/zinc/39/85/21/202398521.db2.gz IBGPDFYXOJPASW-UHFFFAOYSA-N 0 0 327.299 2.446 40 0 EEABRN CC[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1c(C)nn(C)c1C ZINC000076202639 202387168 /nfs/dbraw/zinc/38/71/68/202387168.db2.gz QAFHGPWIMMEVQC-CXAGYDPISA-N 0 0 334.420 2.288 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)on1 ZINC000078333692 202390272 /nfs/dbraw/zinc/39/02/72/202390272.db2.gz OXNXVXPSQFPFTH-UZRORNOBSA-N 0 0 327.450 2.116 40 0 EEABRN CSC[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000077786331 202392753 /nfs/dbraw/zinc/39/27/53/202392753.db2.gz DMUKJVYRVFIUEI-QMMMGPOBSA-N 0 0 331.235 2.255 40 0 EEABRN Cc1ccccc1OCn1ccc(C(=O)NCCCn2ccnc2)n1 ZINC000027972212 212590960 /nfs/dbraw/zinc/59/09/60/212590960.db2.gz CYWSXSZIYRGDLI-UHFFFAOYSA-N 0 0 339.399 2.245 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000081706975 202487493 /nfs/dbraw/zinc/48/74/93/202487493.db2.gz SOZPMNQTKDDPDY-ZWKOTPCHSA-N 0 0 337.354 2.400 40 0 EEABRN NC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(F)cc4)nc3c2)C1 ZINC000057327102 201138821 /nfs/dbraw/zinc/13/88/21/201138821.db2.gz YTVYQNIQLHRGKG-NSHDSACASA-N 0 0 339.326 2.472 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000247992378 201177909 /nfs/dbraw/zinc/17/79/09/201177909.db2.gz BDHRSQIOVCTMQO-TUKIKUTGSA-N 0 0 341.411 2.481 40 0 EEABRN C[C@@H]1COc2ccccc2CN1C(=O)CCCCN1CCOCC1 ZINC000272873643 201252947 /nfs/dbraw/zinc/25/29/47/201252947.db2.gz WERQHBNRPXBFPM-MRXNPFEDSA-N 0 0 332.444 2.299 40 0 EEABRN COC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000024259374 212415885 /nfs/dbraw/zinc/41/58/85/212415885.db2.gz UTEDSHMSOBIHGP-UHFFFAOYSA-N 0 0 349.364 2.061 40 0 EEABRN CC(=O)N1CCC(NC(=O)CNc2c(F)cccc2Cl)CC1 ZINC000193106738 240024064 /nfs/dbraw/zinc/02/40/64/240024064.db2.gz ITEJFFKJFPMIPT-UHFFFAOYSA-N 0 0 327.787 2.018 40 0 EEABRN CNC(=O)c1ccccc1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193574609 240216950 /nfs/dbraw/zinc/21/69/50/240216950.db2.gz NHEJHXNVPZMBEQ-NSHDSACASA-N 0 0 344.333 2.226 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@](C)(O)Cc2ccccc2)C1 ZINC000195532397 240986904 /nfs/dbraw/zinc/98/69/04/240986904.db2.gz GSRDVYVZWDSVQB-UWVAXJGDSA-N 0 0 346.471 2.180 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(COC)C(N)=S ZINC000218515026 241327731 /nfs/dbraw/zinc/32/77/31/241327731.db2.gz GYJOMULQFNGHQJ-MBNYWOFBSA-N 0 0 347.889 2.159 40 0 EEABRN CCn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 ZINC000000557528 201486612 /nfs/dbraw/zinc/48/66/12/201486612.db2.gz VHPLLZGAVPNSTQ-UHFFFAOYSA-N 0 0 330.573 2.361 40 0 EEABRN Cc1cccc(C)c1NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000060060252 202779928 /nfs/dbraw/zinc/77/99/28/202779928.db2.gz ZJTOISXDHNOLHF-UHFFFAOYSA-N 0 0 329.385 2.080 40 0 EEABRN Cc1ccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1 ZINC000224299048 241746296 /nfs/dbraw/zinc/74/62/96/241746296.db2.gz QFDYJEOOMZYXEL-UHFFFAOYSA-N 0 0 326.400 2.491 40 0 EEABRN COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1cccs1 ZINC000225134534 241800677 /nfs/dbraw/zinc/80/06/77/241800677.db2.gz GIHDJNSAZOBLQP-UHFFFAOYSA-N 0 0 347.364 2.395 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)N[C@H]1CCCC12CCOCC2 ZINC000225694128 241989854 /nfs/dbraw/zinc/98/98/54/241989854.db2.gz RBSVPMJSHMJYKQ-CVEARBPZSA-N 0 0 340.464 2.078 40 0 EEABRN O=C(CN1CCCC1=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000225885781 242071835 /nfs/dbraw/zinc/07/18/35/242071835.db2.gz DGFLFPJXPHJDRT-UHFFFAOYSA-N 0 0 346.818 2.039 40 0 EEABRN O=C(COc1ccccc1Cl)NC[C@@H]1CCCN1c1cccnn1 ZINC000241435176 242989439 /nfs/dbraw/zinc/98/94/39/242989439.db2.gz NLJDQMKJULJLIO-ZDUSSCGKSA-N 0 0 346.818 2.294 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)ccc1F ZINC000241795494 243002966 /nfs/dbraw/zinc/00/29/66/243002966.db2.gz RZQJVADIWZIOMQ-CHWSQXEVSA-N 0 0 349.406 2.418 40 0 EEABRN O=C(NC[C@@H]1CCCO1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000006222717 201675836 /nfs/dbraw/zinc/67/58/36/201675836.db2.gz SFTOYZBTLGDSPH-BQGMYUGNSA-N 0 0 340.379 2.346 40 0 EEABRN COCCn1cc2c(n1)[C@H](NC(=O)c1cn(C(C)C)cn1)CCC2 ZINC000253394844 243892460 /nfs/dbraw/zinc/89/24/60/243892460.db2.gz BVNQQPYMWUMQJB-CQSZACIVSA-N 0 0 331.420 2.114 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)on1 ZINC000253600300 244033488 /nfs/dbraw/zinc/03/34/88/244033488.db2.gz MYKKWCZETVAEGT-CYBMUJFWSA-N 0 0 331.397 2.157 40 0 EEABRN Cc1nc2cc(C(=O)N3CCO[C@H](c4nccc(C)n4)C3)ccc2[nH]1 ZINC000257206682 244137902 /nfs/dbraw/zinc/13/79/02/244137902.db2.gz BEMVBLIWSDJNBU-INIZCTEOSA-N 0 0 337.383 2.183 40 0 EEABRN Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2c2ccnc(C)n2)n1 ZINC000257207613 244138851 /nfs/dbraw/zinc/13/88/51/244138851.db2.gz BIMOAOVCBDWVQQ-GOSISDBHSA-N 0 0 340.431 2.101 40 0 EEABRN O=C(N[C@@H]1CCn2nccc2C1)c1cc(Br)cs1 ZINC000253472934 284123322 /nfs/dbraw/zinc/12/33/22/284123322.db2.gz QRMCIXXHCHTGNH-SECBINFHSA-N 0 0 326.219 2.452 40 0 EEABRN Cc1nccnc1CC[C@H]1COCCN1C(=O)CC1(O)CCCCC1 ZINC000257224770 244199823 /nfs/dbraw/zinc/19/98/23/244199823.db2.gz FDHKWSQBJYQDMN-INIZCTEOSA-N 0 0 347.459 2.030 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cnc(-c2ccnn2C(C)C)cn1 ZINC000257220085 244181951 /nfs/dbraw/zinc/18/19/51/244181951.db2.gz DJLQKMPFMIWKOL-OAHLLOKOSA-N 0 0 329.404 2.231 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@H]2CCc2cnccn2)s1 ZINC000257221040 244184763 /nfs/dbraw/zinc/18/47/63/244184763.db2.gz DNGWBBWHIXFLFP-OAHLLOKOSA-N 0 0 331.441 2.249 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383882 203211096 /nfs/dbraw/zinc/21/10/96/203211096.db2.gz OVISDIAUIYJDJD-AWEZNQCLSA-N 0 0 342.399 2.325 40 0 EEABRN Cc1ccc2c(CC(=O)N3CC[C@H](O)[C@]4(CCCO4)C3)coc2c1 ZINC000257236538 244228754 /nfs/dbraw/zinc/22/87/54/244228754.db2.gz HCPUYIMFDAKIKH-HKUYNNGSSA-N 0 0 329.396 2.426 40 0 EEABRN COc1ccc([C@@H]2C[C@H](OC(=O)c3ccncc3)C(=O)N2C)cc1 ZINC000072346570 203203217 /nfs/dbraw/zinc/20/32/17/203203217.db2.gz MYWJQSBUTFXTNZ-HOTGVXAUSA-N 0 0 326.352 2.219 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-n2ccnc2)C1 ZINC000072350601 203205271 /nfs/dbraw/zinc/20/52/71/203205271.db2.gz AGYMWFLAJDTTAM-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCC(Oc2ccccc2F)CC1 ZINC000072351112 203205281 /nfs/dbraw/zinc/20/52/81/203205281.db2.gz FPVJFSALQNAEFD-UHFFFAOYSA-N 0 0 336.388 2.453 40 0 EEABRN CC(=O)N1CCC(c2nccnc2Oc2ccc(C(N)=O)cc2)CC1 ZINC000072361735 203206065 /nfs/dbraw/zinc/20/60/65/203206065.db2.gz SWJAORDNPHYDNR-UHFFFAOYSA-N 0 0 340.383 2.094 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3ccc(F)cc3)n2)C1 ZINC000072360750 203206471 /nfs/dbraw/zinc/20/64/71/203206471.db2.gz ODQYCYQJPBVYHR-ZDUSSCGKSA-N 0 0 349.431 2.497 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1C ZINC000257241176 244244876 /nfs/dbraw/zinc/24/48/76/244244876.db2.gz HWXQOCMZTYRYMF-QGZVFWFLSA-N 0 0 342.443 2.024 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000257254321 244280041 /nfs/dbraw/zinc/28/00/41/244280041.db2.gz KCOMALDDHFMYAD-CQSZACIVSA-N 0 0 345.428 2.212 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)n1 ZINC000257256165 244280766 /nfs/dbraw/zinc/28/07/66/244280766.db2.gz KKIRWJSFEPOIHX-LBPRGKRZSA-N 0 0 337.811 2.192 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)C2)n1 ZINC000257257929 244287366 /nfs/dbraw/zinc/28/73/66/244287366.db2.gz KRRMILCVURAKHM-OAHLLOKOSA-N 0 0 337.427 2.403 40 0 EEABRN C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000072576957 203237482 /nfs/dbraw/zinc/23/74/82/203237482.db2.gz BKTGAQOHBAZYIG-UHFFFAOYSA-N 0 0 337.470 2.301 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2cncc(C)n2)C1 ZINC000257268770 244371029 /nfs/dbraw/zinc/37/10/29/244371029.db2.gz MNCRNUZXHMCTOS-OAHLLOKOSA-N 0 0 327.432 2.464 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](c2cnccn2)C1 ZINC000257260686 244348519 /nfs/dbraw/zinc/34/85/19/244348519.db2.gz LDXFOUCHMDVVLQ-AWEZNQCLSA-N 0 0 334.383 2.282 40 0 EEABRN Cc1nc(C2CCN(C(=O)C(C)(C)C)CC2)cc(N2CCOC2=O)n1 ZINC000257264194 244354738 /nfs/dbraw/zinc/35/47/38/244354738.db2.gz LTHIAZBSKCIGDS-UHFFFAOYSA-N 0 0 346.431 2.494 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000257274682 244388310 /nfs/dbraw/zinc/38/83/10/244388310.db2.gz NMBYLOIRDBBNPO-INIZCTEOSA-N 0 0 333.457 2.469 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000257274711 244389869 /nfs/dbraw/zinc/38/98/69/244389869.db2.gz NMIDAVJRCFZIMA-AWEZNQCLSA-N 0 0 327.384 2.477 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)n1 ZINC000257319670 244515567 /nfs/dbraw/zinc/51/55/67/244515567.db2.gz VTNVUNLVFOKWKO-LBPRGKRZSA-N 0 0 335.795 2.419 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108879 203837033 /nfs/dbraw/zinc/83/70/33/203837033.db2.gz CDLILKAKAPITJK-VQIMIIECSA-N 0 0 342.395 2.288 40 0 EEABRN CC(C)NC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC000096074411 203826520 /nfs/dbraw/zinc/82/65/20/203826520.db2.gz NXRYPVWDLKBIHF-GOSISDBHSA-N 0 0 344.415 2.354 40 0 EEABRN COc1ccc(C(=O)[C@@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096518177 203893540 /nfs/dbraw/zinc/89/35/40/203893540.db2.gz DSXKUIBONOXBSI-JTQLQIEISA-N 0 0 341.610 2.210 40 0 EEABRN CCc1cnc(N2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 ZINC000096222561 203874963 /nfs/dbraw/zinc/87/49/63/203874963.db2.gz BMMYUXKKKARFMJ-YJBOKZPZSA-N 0 0 341.415 2.036 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)n1 ZINC000041122522 204006446 /nfs/dbraw/zinc/00/64/46/204006446.db2.gz GSYMAAKYGXMKOY-CQSZACIVSA-N 0 0 331.420 2.413 40 0 EEABRN C[C@@]1(C(=O)NCc2cccnc2)Oc2ccc(Cl)cc2NC1=O ZINC000041550128 204046446 /nfs/dbraw/zinc/04/64/46/204046446.db2.gz IWBSGPXHJJAQOV-INIZCTEOSA-N 0 0 331.759 2.141 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCCO1 ZINC000155743765 206031968 /nfs/dbraw/zinc/03/19/68/206031968.db2.gz VBIBKTHIRAJCKG-CYBMUJFWSA-N 0 0 338.791 2.117 40 0 EEABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 ZINC000000513602 206238744 /nfs/dbraw/zinc/23/87/44/206238744.db2.gz UYOHHTABZFAAPP-UHFFFAOYSA-N 0 0 343.408 2.311 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 ZINC000247847295 296272953 /nfs/dbraw/zinc/27/29/53/296272953.db2.gz HOFZDKLZNRDZHC-SZMVWBNQSA-N 0 0 339.395 2.033 40 0 EEABRN O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC000096206961 296274940 /nfs/dbraw/zinc/27/49/40/296274940.db2.gz ODLJBUVRJBSAEN-APWZRJJASA-N 0 0 345.443 2.447 40 0 EEABRN CN(CCOC[C@@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400854 218335831 /nfs/dbraw/zinc/33/58/31/218335831.db2.gz VDPGWTCXFBHOLG-ZDUSSCGKSA-N 0 0 326.824 2.406 40 0 EEABRN COCCC1(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)CC1 ZINC000095446080 218390218 /nfs/dbraw/zinc/39/02/18/218390218.db2.gz BUXAUGLIXFTQHP-UHFFFAOYSA-N 0 0 342.443 2.024 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000226219109 296309359 /nfs/dbraw/zinc/30/93/59/296309359.db2.gz KWDCVEQPVISAQQ-CSMYWGQOSA-N 0 0 334.391 2.125 40 0 EEABRN COc1ccc(C2=NO[C@@](C)(C(=O)NCc3cccnc3)C2)cc1 ZINC000096192804 218661630 /nfs/dbraw/zinc/66/16/30/218661630.db2.gz BFGOISSCKOPFMR-GOSISDBHSA-N 0 0 325.368 2.290 40 0 EEABRN O=C(NC[C@H](O)C1CCCC1)C(=O)Nc1cc(F)ccc1Cl ZINC000096410788 218765382 /nfs/dbraw/zinc/76/53/82/218765382.db2.gz FFMGDVYPNCXXIV-ZDUSSCGKSA-N 0 0 328.771 2.085 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000096414410 218772416 /nfs/dbraw/zinc/77/24/16/218772416.db2.gz KBNJRABKTZKPID-LLVKDONJSA-N 0 0 349.374 2.141 40 0 EEABRN COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(CC(C)C)nn32)c1 ZINC000014607209 207776742 /nfs/dbraw/zinc/77/67/42/207776742.db2.gz MOAWVABOMVDQKH-CYBMUJFWSA-N 0 0 343.387 2.007 40 0 EEABRN Cc1ccc(N2CC[C@H](NC(=O)c3cc(C4CC4)on3)C2=O)cc1 ZINC000096423913 218791475 /nfs/dbraw/zinc/79/14/75/218791475.db2.gz JLEUGHPGTBLKRN-AWEZNQCLSA-N 0 0 325.368 2.396 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096425168 218793676 /nfs/dbraw/zinc/79/36/76/218793676.db2.gz BDHRSQIOVCTMQO-GLQYFDAESA-N 0 0 341.411 2.481 40 0 EEABRN Cn1ncc(N2CC[C@@H](COCc3ccccc3)C2)c(Cl)c1=O ZINC000096429788 218803202 /nfs/dbraw/zinc/80/32/02/218803202.db2.gz SVHBDNOYZVZSJV-CQSZACIVSA-N 0 0 333.819 2.477 40 0 EEABRN O=C(NCCNC(=O)[C@@H]1CCCS1)c1ccc(C(F)(F)F)cc1 ZINC000096435998 218814192 /nfs/dbraw/zinc/81/41/92/218814192.db2.gz MAAIGZQFCNCFLG-LBPRGKRZSA-N 0 0 346.374 2.447 40 0 EEABRN CCS[C@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000096451485 218834787 /nfs/dbraw/zinc/83/47/87/218834787.db2.gz SQRFCJPGEHSQHC-ZBFHGGJFSA-N 0 0 345.472 2.385 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1N(C)C ZINC000096461893 218844821 /nfs/dbraw/zinc/84/48/21/218844821.db2.gz MRQUBVJWFPQBAD-UHFFFAOYSA-N 0 0 333.457 2.319 40 0 EEABRN O=C(CCCn1ccnc1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096456007 218841484 /nfs/dbraw/zinc/84/14/84/218841484.db2.gz YDZUPCXSQVVWJM-HNNXBMFYSA-N 0 0 346.818 2.238 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1cccc(N)c1 ZINC000096519868 218881570 /nfs/dbraw/zinc/88/15/70/218881570.db2.gz ZJKLLPACRHSMQJ-UWVGGRQHSA-N 0 0 342.642 2.024 40 0 EEABRN COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)cc1-n1cnnn1 ZINC000097237600 219003515 /nfs/dbraw/zinc/00/35/15/219003515.db2.gz KQNUMXNQUXOEHP-ZDUSSCGKSA-N 0 0 349.394 2.430 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1nncn1C ZINC000182398331 533199032 /nfs/dbraw/zinc/19/90/32/533199032.db2.gz WPISLCMQVFTIRH-ZWNOBZJWSA-N 0 0 333.367 2.228 40 0 EEABRN COC(=O)CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O ZINC000106744822 533502142 /nfs/dbraw/zinc/50/21/42/533502142.db2.gz HOFYSUVDZGCGTA-SDQBBNPISA-N 0 0 345.332 2.002 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccccn2)Cc2ncn(CC3CC3)c21 ZINC000096045087 285460857 /nfs/dbraw/zinc/46/08/57/285460857.db2.gz CJXUEHVUXCMMQS-CQSZACIVSA-N 0 0 326.400 2.074 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072376967 292176122 /nfs/dbraw/zinc/17/61/22/292176122.db2.gz OVMLBMCVBFCQPY-OAHLLOKOSA-N 0 0 326.400 2.426 40 0 EEABRN COc1cc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)ncn1 ZINC000097957570 286228680 /nfs/dbraw/zinc/22/86/80/286228680.db2.gz AVJFDMGZJSFZBG-OAHLLOKOSA-N 0 0 338.411 2.128 40 0 EEABRN COc1cccc(CN2CCc3nc4ccccc4c(=O)n3CC2)c1 ZINC000019565490 274145954 /nfs/dbraw/zinc/14/59/54/274145954.db2.gz ZPKWZQHKBYOSIC-UHFFFAOYSA-N 0 0 335.407 2.463 40 0 EEABRN CCn1cc(NC(=O)c2nnn(CC3CCCC3)c2C)ccc1=O ZINC000278938245 274416690 /nfs/dbraw/zinc/41/66/90/274416690.db2.gz FFXTWWJEKNJIFL-UHFFFAOYSA-N 0 0 329.404 2.211 40 0 EEABRN CC(C)(C)OC(=O)NC1CC[NH+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000095627606 275827803 /nfs/dbraw/zinc/82/78/03/275827803.db2.gz GLSNAIAFLOZBEC-AWEZNQCLSA-N 0 0 335.404 2.196 40 0 EEABRN CCn1cc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cn1 ZINC000002809030 276712923 /nfs/dbraw/zinc/71/29/23/276712923.db2.gz JKCJPCWUQDMARH-UHFFFAOYSA-N 0 0 330.355 2.347 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cn1 ZINC000057355393 276713773 /nfs/dbraw/zinc/71/37/73/276713773.db2.gz XIBGJWQMFMHOFH-WBVHZDCISA-N 0 0 326.400 2.451 40 0 EEABRN Cc1cc(CNC(=O)N2CCS(=O)(=O)C[C@H](C)C2)ccc1Cl ZINC000192205647 278689463 /nfs/dbraw/zinc/68/94/63/278689463.db2.gz OOBDJZRLFXNWKL-LLVKDONJSA-N 0 0 344.864 2.225 40 0 EEABRN Cc1nnc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000078989110 293866226 /nfs/dbraw/zinc/86/62/26/293866226.db2.gz ZUOCLQGGXLVKSG-MWLCHTKSSA-N 0 0 325.365 2.382 40 0 EEABRN O=C(C1CCCC1)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257238948 303555892 /nfs/dbraw/zinc/55/58/92/303555892.db2.gz HNFMQYXKYUKWPE-IBGZPJMESA-N 0 0 342.443 2.107 40 0 EEABRN c1ccc(N(Cc2nnc3n2CCCCC3)CN2CCOCC2)cc1 ZINC000035682684 304854828 /nfs/dbraw/zinc/85/48/28/304854828.db2.gz ZXKRXTAZSRWHBL-UHFFFAOYSA-N 0 0 341.459 2.301 40 0 EEABRN C[C@@H](c1ccccn1)N(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000328927129 311633102 /nfs/dbraw/zinc/63/31/02/311633102.db2.gz WWQRJYWLAVXAIN-HNNXBMFYSA-N 0 0 341.459 2.247 40 0 EEABRN CC1(C)OCC[C@H]1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000333176950 312106856 /nfs/dbraw/zinc/10/68/56/312106856.db2.gz KTKVWEPCFUTVKH-HZPDHXFCSA-N 0 0 340.464 2.314 40 0 EEABRN C[C@@H]1Cc2ccccc2CN1C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000571568835 319767363 /nfs/dbraw/zinc/76/73/63/319767363.db2.gz AYKQRAVQUWCPNL-CQSZACIVSA-N 0 0 348.406 2.351 40 0 EEABRN CNC(=O)CCNC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100502 323320140 /nfs/dbraw/zinc/32/01/40/323320140.db2.gz BGQZXZKHNILAOK-LLVKDONJSA-N 0 0 339.264 2.004 40 0 EEABRN COc1ccccc1NC(=O)CN1CCOC[C@@H]1c1cccn1C ZINC000131901576 323329277 /nfs/dbraw/zinc/32/92/77/323329277.db2.gz QHPYSIZAWSCYAA-MRXNPFEDSA-N 0 0 329.400 2.046 40 0 EEABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccccc1 ZINC000000382731 462557980 /nfs/dbraw/zinc/55/79/80/462557980.db2.gz FLQCLAUNINLSSZ-UHFFFAOYSA-N 0 0 332.425 2.129 40 0 EEABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 ZINC000000428756 462562627 /nfs/dbraw/zinc/56/26/27/462562627.db2.gz GMJLKAIGHRGQRC-UHFFFAOYSA-N 0 0 334.397 2.057 40 0 EEABRN CN(C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C1CCC1 ZINC000074174893 462565531 /nfs/dbraw/zinc/56/55/31/462565531.db2.gz FGDVVHGJSRGLSF-KRWDZBQOSA-N 0 0 331.460 2.124 40 0 EEABRN COc1cccc(N(CCCC(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000113967276 462619467 /nfs/dbraw/zinc/61/94/67/462619467.db2.gz RHWBKIROMGJGHA-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN CCc1ccccc1-n1nnc(C(=O)NCc2cccs2)c1N ZINC000004985068 462642680 /nfs/dbraw/zinc/64/26/80/462642680.db2.gz HOEBVPAKCIVTOF-UHFFFAOYSA-N 0 0 327.413 2.403 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006300105 462682086 /nfs/dbraw/zinc/68/20/86/462682086.db2.gz SJUVPISBFMURPV-OAHLLOKOSA-N 0 0 346.452 2.287 40 0 EEABRN CCc1nn(CC(=O)N2CCCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000006807329 462706486 /nfs/dbraw/zinc/70/64/86/462706486.db2.gz KIDKBFWFDOMJJF-LBPRGKRZSA-N 0 0 342.399 2.206 40 0 EEABRN COCCNC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000006969512 462714292 /nfs/dbraw/zinc/71/42/92/462714292.db2.gz UWZWIHNXXSIAFE-UHFFFAOYSA-N 0 0 340.836 2.084 40 0 EEABRN O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1O)[NH2+]Cc1cccnc1 ZINC000065090366 462735960 /nfs/dbraw/zinc/73/59/60/462735960.db2.gz NKLWYPYSYGWWIS-CYBMUJFWSA-N 0 0 349.774 2.012 40 0 EEABRN CCn1c(SCC(=O)OC)nnc1-c1ccc(NC(C)=O)cc1 ZINC000007605159 462740704 /nfs/dbraw/zinc/74/07/04/462740704.db2.gz ZOTAZNSDJGITMO-UHFFFAOYSA-N 0 0 334.401 2.189 40 0 EEABRN Cn1c2ccc(NC(=O)[C@@H]3CN(C)CCO3)cc2nc1C(C)(C)C ZINC000089989826 462761663 /nfs/dbraw/zinc/76/16/63/462761663.db2.gz RKNXJOKSQAMWTQ-HNNXBMFYSA-N 0 0 330.432 2.140 40 0 EEABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccoc2)C1=O ZINC000008088306 462765674 /nfs/dbraw/zinc/76/56/74/462765674.db2.gz STAKHEWRBZMXAZ-OQLLNIDSSA-N 0 0 339.351 2.373 40 0 EEABRN Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1C ZINC000008207479 462773015 /nfs/dbraw/zinc/77/30/15/462773015.db2.gz ZFMAVUZQQGLFEY-UHFFFAOYSA-N 0 0 336.388 2.360 40 0 EEABRN Cc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c(C)c1 ZINC000008368964 462781493 /nfs/dbraw/zinc/78/14/93/462781493.db2.gz YRPDOHSYWVKMQH-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN CCOc1cc(-c2nc3cnn(C)c3c(=O)[nH]2)ccc1OC(F)F ZINC000008782481 462796196 /nfs/dbraw/zinc/79/61/96/462796196.db2.gz OKWKKGFTFQBEOA-UHFFFAOYSA-N 0 0 336.298 2.324 40 0 EEABRN C=Cn1nnc(NC(=O)c2ccc(OCC)c(Br)c2)n1 ZINC000010119569 462812984 /nfs/dbraw/zinc/81/29/84/462812984.db2.gz JGACFBACWWGZEP-UHFFFAOYSA-N 0 0 338.165 2.187 40 0 EEABRN CCOC(=O)CNc1cc(CC)nc2c3c(nn21)nc(C)cc3C ZINC000012145961 462844766 /nfs/dbraw/zinc/84/47/66/462844766.db2.gz RNNBGTLCMKGLIE-UHFFFAOYSA-N 0 0 327.388 2.432 40 0 EEABRN C=Cn1cc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(C)n1 ZINC000012146030 462845707 /nfs/dbraw/zinc/84/57/07/462845707.db2.gz LWKQLUVCUPTJHQ-UHFFFAOYSA-N 0 0 338.411 2.407 40 0 EEABRN O=C(CN1CCCCCCC1=O)NCCc1nc2ccccc2[nH]1 ZINC000048245274 462879993 /nfs/dbraw/zinc/87/99/93/462879993.db2.gz WRUMPJLPSMHTGW-UHFFFAOYSA-N 0 0 328.416 2.014 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(C(=O)NCCSC(C)(C)C)c1 ZINC000066739337 462925719 /nfs/dbraw/zinc/92/57/19/462925719.db2.gz KLQDGWHVDBQRAZ-UHFFFAOYSA-N 0 0 344.502 2.198 40 0 EEABRN CCCc1cnc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000133430497 462930794 /nfs/dbraw/zinc/93/07/94/462930794.db2.gz KGEBZFDYMYQEIE-ZDUSSCGKSA-N 0 0 338.477 2.282 40 0 EEABRN CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 ZINC000016086642 462969313 /nfs/dbraw/zinc/96/93/13/462969313.db2.gz RZRYQIDCXNFFMK-UHFFFAOYSA-N 0 0 325.411 2.340 40 0 EEABRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C ZINC000077393937 462980235 /nfs/dbraw/zinc/98/02/35/462980235.db2.gz AKESGHJHQVAMFO-AAEUAGOBSA-N 0 0 345.486 2.208 40 0 EEABRN COc1ccccc1-c1noc(CSc2nc(C)cc(=O)[nH]2)n1 ZINC000018022126 463003794 /nfs/dbraw/zinc/00/37/94/463003794.db2.gz DBPXRBFHYWSVHR-UHFFFAOYSA-N 0 0 330.369 2.429 40 0 EEABRN Cc1cc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)nc(C(C)C)n1 ZINC000019117542 463014724 /nfs/dbraw/zinc/01/47/24/463014724.db2.gz TZTCXEBMMOSKGA-GOSISDBHSA-N 0 0 332.448 2.126 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000134684001 463071130 /nfs/dbraw/zinc/07/11/30/463071130.db2.gz ZABYLOCZYNZWMY-UONOGXRCSA-N 0 0 331.434 2.029 40 0 EEABRN O=S(=O)(c1ccc(SCCn2cncn2)cc1)C(F)(F)F ZINC000095406465 463078410 /nfs/dbraw/zinc/07/84/10/463078410.db2.gz MPIZTALMRMGSTP-UHFFFAOYSA-N 0 0 337.348 2.364 40 0 EEABRN O=c1c(Br)cn(Cc2ccccc2)c(=O)n1CCCF ZINC000134832964 463085697 /nfs/dbraw/zinc/08/56/97/463085697.db2.gz NZODTQVKUGVJLA-UHFFFAOYSA-N 0 0 341.180 2.180 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1ccc(Cl)s1 ZINC000134848916 463087983 /nfs/dbraw/zinc/08/79/83/463087983.db2.gz BRUWAYXIEBPWLE-GHMZBOCLSA-N 0 0 332.853 2.125 40 0 EEABRN Cc1cccc(-n2ccnc2SCCNS(C)(=O)=O)c1C ZINC000078552763 463127412 /nfs/dbraw/zinc/12/74/12/463127412.db2.gz BOIHIGKPEIOQRE-UHFFFAOYSA-N 0 0 325.459 2.130 40 0 EEABRN Fc1cnc(N2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096040001 463144822 /nfs/dbraw/zinc/14/48/22/463144822.db2.gz NIADIFOECOOPHY-FUHWJXTLSA-N 0 0 344.390 2.465 40 0 EEABRN CC1(C)COC(=O)[C@@H]1OC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000078768534 463147785 /nfs/dbraw/zinc/14/77/85/463147785.db2.gz FPTISMCNFKFPLE-INIZCTEOSA-N 0 0 328.368 2.300 40 0 EEABRN O=C(c1cscn1)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042619 463147802 /nfs/dbraw/zinc/14/78/02/463147802.db2.gz RPTNLMQPQIKWHH-MCIONIFRSA-N 0 0 349.387 2.128 40 0 EEABRN C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccncc1 ZINC000078777263 463149193 /nfs/dbraw/zinc/14/91/93/463149193.db2.gz QWGSMYLUJOQPKV-AWEZNQCLSA-N 0 0 338.411 2.027 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096045074 463149438 /nfs/dbraw/zinc/14/94/38/463149438.db2.gz QMFCWKIGJFEHJE-HNNXBMFYSA-N 0 0 326.400 2.074 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC000096056626 463158841 /nfs/dbraw/zinc/15/88/41/463158841.db2.gz MFALHKSPUCEZEZ-IAGOWNOFSA-N 0 0 328.412 2.210 40 0 EEABRN CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060475 463160475 /nfs/dbraw/zinc/16/04/75/463160475.db2.gz HEYGHOZINVIHHQ-MRXNPFEDSA-N 0 0 329.448 2.163 40 0 EEABRN C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1cccs1 ZINC000096062068 463161140 /nfs/dbraw/zinc/16/11/40/463161140.db2.gz PNCIUEGLYAKSET-GFCCVEGCSA-N 0 0 327.413 2.406 40 0 EEABRN CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096065049 463162772 /nfs/dbraw/zinc/16/27/72/463162772.db2.gz MYXDDRMWTGHBJK-JKSUJKDBSA-N 0 0 331.478 2.024 40 0 EEABRN CCOC[C@@H]1C[C@]2(CO1)COCCN2C(=O)c1ccc(CC)cc1 ZINC000096078566 463169519 /nfs/dbraw/zinc/16/95/19/463169519.db2.gz ONTUHYJQAKRRHK-PKOBYXMFSA-N 0 0 333.428 2.286 40 0 EEABRN CC(C)OCc1ncn2c1CN(S(=O)(=O)c1ccccc1)CCC2 ZINC000096085049 463171197 /nfs/dbraw/zinc/17/11/97/463171197.db2.gz FJQDFFBZJCTDIZ-UHFFFAOYSA-N 0 0 349.456 2.403 40 0 EEABRN O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000078979435 463174422 /nfs/dbraw/zinc/17/44/22/463174422.db2.gz WWJTYQODIPAGBR-OAHLLOKOSA-N 0 0 340.362 2.497 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000078985974 463175478 /nfs/dbraw/zinc/17/54/78/463175478.db2.gz RIJVVGDEWIGBJS-KOLCDFICSA-N 0 0 335.385 2.349 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161394 463192719 /nfs/dbraw/zinc/19/27/19/463192719.db2.gz YEZVQLRGOXJNAI-MAUKXSAKSA-N 0 0 326.421 2.494 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)N(C)Cc3ccco3)OCC(=O)N2C)cc1 ZINC000096181422 463194719 /nfs/dbraw/zinc/19/47/19/463194719.db2.gz XWWLTSDOYFHVHV-ZWKOTPCHSA-N 0 0 342.395 2.145 40 0 EEABRN CC(C)NC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC000096188093 463199951 /nfs/dbraw/zinc/19/99/51/463199951.db2.gz ONJLPFJFHHMBIR-INIZCTEOSA-N 0 0 343.431 2.045 40 0 EEABRN COc1ccccc1CC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000069121981 463209842 /nfs/dbraw/zinc/20/98/42/463209842.db2.gz BRHLUNILVUFMND-UHFFFAOYSA-N 0 0 349.456 2.072 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)no1 ZINC000096208807 463212362 /nfs/dbraw/zinc/21/23/62/463212362.db2.gz RMKRVISBRHUBCP-AEFFLSMTSA-N 0 0 343.383 2.078 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079413995 463213376 /nfs/dbraw/zinc/21/33/76/463213376.db2.gz NVYCVUMILXBWFE-INIZCTEOSA-N 0 0 332.400 2.337 40 0 EEABRN Cc1cnc(N2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000096219156 463216861 /nfs/dbraw/zinc/21/68/61/463216861.db2.gz NOZLWNYRFIWULU-SUMWQHHRSA-N 0 0 329.379 2.169 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096222958 463219707 /nfs/dbraw/zinc/21/97/07/463219707.db2.gz XKVRTNGKASVECV-HNAYVOBHSA-N 0 0 340.427 2.296 40 0 EEABRN CC(C)N1c2sc(-c3ccccc3)nc2C[C@@H]1C(=O)NCCCO ZINC000096264440 463231845 /nfs/dbraw/zinc/23/18/45/463231845.db2.gz IVASFLWHRFWERQ-OAHLLOKOSA-N 0 0 345.468 2.448 40 0 EEABRN O=C(NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1)c1cccnc1 ZINC000096296420 463234263 /nfs/dbraw/zinc/23/42/63/463234263.db2.gz PXSKPPVPSWMMJK-INIZCTEOSA-N 0 0 334.379 2.274 40 0 biogenic,in-vitro EEABRN C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(Br)cc1 ZINC000096408730 463241209 /nfs/dbraw/zinc/24/12/09/463241209.db2.gz AWXURSNKFUHPJW-DYBLOJMWSA-N 0 0 333.251 2.188 40 0 EEABRN Cn1cc(C(=O)OC[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cn1 ZINC000096413659 463246184 /nfs/dbraw/zinc/24/61/84/463246184.db2.gz XEXSQBHQGGFVJL-MLGOLLRUSA-N 0 0 347.802 2.450 40 0 EEABRN Cc1ccccc1C(C)(C)CNC(=O)NC[C@](C)(O)c1cnn(C)c1 ZINC000096421497 463252714 /nfs/dbraw/zinc/25/27/14/463252714.db2.gz ZXSHJJVAGFBHAO-IBGZPJMESA-N 0 0 344.459 2.213 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1=O ZINC000096423037 463254030 /nfs/dbraw/zinc/25/40/30/463254030.db2.gz NXFWILLUFMDXNI-AWEZNQCLSA-N 0 0 345.830 2.438 40 0 EEABRN O=C(c1c[nH]c(=O)c(Br)c1)N1CCOc2ccccc2C1 ZINC000096426268 463256163 /nfs/dbraw/zinc/25/61/63/463256163.db2.gz ZLMMIVGQNGIFOP-UHFFFAOYSA-N 0 0 349.184 2.172 40 0 EEABRN CN(C1CCN(c2ccnc3ccsc32)CC1)S(C)(=O)=O ZINC000096429267 463259042 /nfs/dbraw/zinc/25/90/42/463259042.db2.gz QGLYHCFCSVNGBJ-UHFFFAOYSA-N 0 0 325.459 2.157 40 0 EEABRN COc1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(Cl)c1 ZINC000136795785 463259052 /nfs/dbraw/zinc/25/90/52/463259052.db2.gz DFPBMZLLUJLJQD-ZDUSSCGKSA-N 0 0 332.809 2.047 40 0 EEABRN CCO[C@H]1C[C@@H](Nc2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096429825 463259535 /nfs/dbraw/zinc/25/95/35/463259535.db2.gz YOLQTXXGWQFJFI-KGLIPLIRSA-N 0 0 331.420 2.420 40 0 EEABRN Cc1nc(C)c(CNC(=O)Nc2ccc(-n3cnnn3)c(C)c2)s1 ZINC000096433964 463262117 /nfs/dbraw/zinc/26/21/17/463262117.db2.gz NBCFLVMMWJBCRI-UHFFFAOYSA-N 0 0 343.416 2.366 40 0 EEABRN CCc1cc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n[nH]1 ZINC000096436236 463263297 /nfs/dbraw/zinc/26/32/97/463263297.db2.gz DSRRXTIPHVDUHC-MRXNPFEDSA-N 0 0 328.416 2.202 40 0 EEABRN CNC(=O)c1ccc(/C=C/C(=O)NC[C@@](C)(O)c2cccs2)cc1 ZINC000096444448 463269447 /nfs/dbraw/zinc/26/94/47/463269447.db2.gz KDUPSHPBDOVNJZ-RUJXFNLJSA-N 0 0 344.436 2.145 40 0 EEABRN Cn1ccnc1CNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000096446532 463270918 /nfs/dbraw/zinc/27/09/18/463270918.db2.gz SKHCVBCOFDGGTC-INIZCTEOSA-N 0 0 330.407 2.230 40 0 EEABRN C[C@@](O)(CNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccsc1 ZINC000096450375 463272176 /nfs/dbraw/zinc/27/21/76/463272176.db2.gz YUOQCAZTDLUODX-DOTOQJQBSA-N 0 0 330.409 2.265 40 0 EEABRN Cc1ccc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1 ZINC000096454878 463273997 /nfs/dbraw/zinc/27/39/97/463273997.db2.gz MHSGZJPMJZDDLL-UHFFFAOYSA-N 0 0 325.416 2.196 40 0 EEABRN C[C@](NC(=O)c1ccoc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454526 463274223 /nfs/dbraw/zinc/27/42/23/463274223.db2.gz QWVKLMPEXAFHGJ-CQSZACIVSA-N 0 0 326.274 2.429 40 0 EEABRN Cc1nnc2ccc(N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)nn12 ZINC000096455862 463275525 /nfs/dbraw/zinc/27/55/25/463275525.db2.gz VGCWEZPHTSWJRS-CYBMUJFWSA-N 0 0 342.790 2.304 40 0 EEABRN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cccc(F)c1 ZINC000096472572 463278663 /nfs/dbraw/zinc/27/86/63/463278663.db2.gz UJCFDAZCLLNVBN-INIZCTEOSA-N 0 0 335.423 2.457 40 0 EEABRN Cc1nc(C2(NC(=O)Cn3cccc(C)c3=O)CCCCCC2)no1 ZINC000096475709 463279995 /nfs/dbraw/zinc/27/99/95/463279995.db2.gz MUNDKPKNNJSZJP-UHFFFAOYSA-N 0 0 344.415 2.214 40 0 EEABRN O=C(CCn1ccc2cc(Cl)ccc21)N1CCCS1(=O)=O ZINC000096485414 463284022 /nfs/dbraw/zinc/28/40/22/463284022.db2.gz ZRELYINPUZRMHM-UHFFFAOYSA-N 0 0 326.805 2.247 40 0 EEABRN C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1nccc(N)n1 ZINC000096487478 463285437 /nfs/dbraw/zinc/28/54/37/463285437.db2.gz ZYEMSJFJDWGSEH-SNVBAGLBSA-N 0 0 349.232 2.316 40 0 EEABRN Cc1nc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 ZINC000096490497 463286521 /nfs/dbraw/zinc/28/65/21/463286521.db2.gz XIFIBECQCJJPIT-OCCSQVGLSA-N 0 0 336.779 2.361 40 0 EEABRN C[C@@H](NCc1nc(CS(C)(=O)=O)no1)c1ccc(F)c(Cl)c1 ZINC000096491159 463287092 /nfs/dbraw/zinc/28/70/92/463287092.db2.gz RYYHYMXMOYMOBJ-MRVPVSSYSA-N 0 0 347.799 2.258 40 0 EEABRN COc1cc(Br)c(F)cc1S(=O)(=O)NCC1CC1 ZINC000096500057 463290559 /nfs/dbraw/zinc/29/05/59/463290559.db2.gz CVEUQFGTZRRZEB-UHFFFAOYSA-N 0 0 338.198 2.285 40 0 EEABRN COCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)no1 ZINC000080418096 463315931 /nfs/dbraw/zinc/31/59/31/463315931.db2.gz IYWJPCXHIFQOMU-CYBMUJFWSA-N 0 0 349.774 2.010 40 0 EEABRN CCc1nnc(CN2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)[nH]1 ZINC000097096431 463322553 /nfs/dbraw/zinc/32/25/53/463322553.db2.gz NGWDSAXKUVQQQP-HNNXBMFYSA-N 0 0 341.459 2.205 40 0 EEABRN Cc1nc(CNC(=O)N2CCN(Cc3ccccn3)CC2)c(C)s1 ZINC000097096529 463323034 /nfs/dbraw/zinc/32/30/34/463323034.db2.gz VOKPIZITGFYERG-UHFFFAOYSA-N 0 0 345.472 2.182 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)c2ccc(O)cc2F)[C@H]1c1ccc(F)cc1 ZINC000097100818 463323833 /nfs/dbraw/zinc/32/38/33/463323833.db2.gz MVVYLQDWPIJVOE-DOTOQJQBSA-N 0 0 346.333 2.372 40 0 EEABRN C[C@@](O)(Cc1ccccc1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000097228103 463349768 /nfs/dbraw/zinc/34/97/68/463349768.db2.gz KBMDMYOOQPMTHG-SJLPKXTDSA-N 0 0 333.815 2.483 40 0 EEABRN CO[C@]1(C)C[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1(C)C ZINC000080720888 463350900 /nfs/dbraw/zinc/35/09/00/463350900.db2.gz OTMDYKMBUZDKEO-KBXCAEBGSA-N 0 0 332.448 2.013 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1C ZINC000080785009 463355616 /nfs/dbraw/zinc/35/56/16/463355616.db2.gz WZIIQDXYCDYTAB-OAHLLOKOSA-N 0 0 333.457 2.290 40 0 EEABRN CC(C)CCNC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000035312050 463430921 /nfs/dbraw/zinc/43/09/21/463430921.db2.gz RVJWAPBJVKQXAS-UHFFFAOYSA-N 0 0 342.447 2.041 40 0 EEABRN CCc1ccc2[nH]c3nc(SCC(=O)NC4CC4)nnc3c2c1 ZINC000035312601 463430950 /nfs/dbraw/zinc/43/09/50/463430950.db2.gz HPOMQYHWIKPNNB-UHFFFAOYSA-N 0 0 327.413 2.439 40 0 EEABRN Cc1c(C(=O)N2CCN(C)CC2)cnc2c(-c3ccccc3)cnn21 ZINC000038829585 463448487 /nfs/dbraw/zinc/44/84/87/463448487.db2.gz IEMUXDDYZAVNGD-UHFFFAOYSA-N 0 0 335.411 2.092 40 0 EEABRN CCc1nn2c(ncc3c2ccn(C(N)=S)c3=O)c1-c1ccccc1 ZINC000040387935 463455971 /nfs/dbraw/zinc/45/59/71/463455971.db2.gz ABOJUTOFEOUCBK-UHFFFAOYSA-N 0 0 349.419 2.365 40 0 EEABRN O=C(CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)N1CCCC1 ZINC000040485922 463457180 /nfs/dbraw/zinc/45/71/80/463457180.db2.gz VFDOULNZBSCFLP-UHFFFAOYSA-N 0 0 348.406 2.378 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000081701285 463481248 /nfs/dbraw/zinc/48/12/48/463481248.db2.gz SUKZUPJVSUXYIT-RTBURBONSA-N 0 0 346.386 2.430 40 0 EEABRN C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000081834479 463499042 /nfs/dbraw/zinc/49/90/42/463499042.db2.gz NBMJVVWFXCPOBM-QWRGUYRKSA-N 0 0 328.409 2.124 40 0 EEABRN CCOC(=O)[C@@H](C)n1c2ccccc2n([C@@H](C)C(=O)OCC)c1=O ZINC000082086996 463513256 /nfs/dbraw/zinc/51/32/56/463513256.db2.gz DMQZUKDKCSJLTR-TXEJJXNPSA-N 0 0 334.372 2.051 40 0 EEABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000057773484 463517114 /nfs/dbraw/zinc/51/71/14/463517114.db2.gz KBZVSUYRRXZSNJ-KGLIPLIRSA-N 0 0 329.425 2.130 40 0 EEABRN Cc1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)nn1C ZINC000084796492 463632996 /nfs/dbraw/zinc/63/29/96/463632996.db2.gz YYNQSEBJSIOLQU-UHFFFAOYSA-N 0 0 331.763 2.320 40 0 EEABRN Cc1cccc(OCCN(C)C(=O)c2cnc3ccccn3c2=O)c1 ZINC000044896358 463699579 /nfs/dbraw/zinc/69/95/79/463699579.db2.gz OFIGRVQAVCUVTQ-UHFFFAOYSA-N 0 0 337.379 2.154 40 0 EEABRN CC[C@@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)c1ccncc1 ZINC000185010779 463735414 /nfs/dbraw/zinc/73/54/14/463735414.db2.gz KUWILBPFGSATIB-MRXNPFEDSA-N 0 0 340.431 2.163 40 0 EEABRN CO[C@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@]12CCCO2 ZINC000257200267 463756494 /nfs/dbraw/zinc/75/64/94/463756494.db2.gz ACQHSMFJFKGMNP-LPHOPBHVSA-N 0 0 343.427 2.292 40 0 EEABRN Cc1nccc(N2CC[C@@H](Cc3cnc(-c4cncn4C)cn3)C2)n1 ZINC000257278551 463757460 /nfs/dbraw/zinc/75/74/60/463757460.db2.gz OCRLJDQQJVWTTQ-AWEZNQCLSA-N 0 0 335.415 2.045 40 0 EEABRN C[C@]1(O)CN(C(=O)c2ccncc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257282319 463760127 /nfs/dbraw/zinc/76/01/27/463760127.db2.gz OTGZLMODLFEIGE-WMZOPIPTSA-N 0 0 330.359 2.265 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257286907 463762864 /nfs/dbraw/zinc/76/28/64/463762864.db2.gz PNPRNXMUZXBHBP-CQSZACIVSA-N 0 0 348.410 2.357 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000257295263 463766005 /nfs/dbraw/zinc/76/60/05/463766005.db2.gz QXQFYXHCLSSLEY-OAHLLOKOSA-N 0 0 340.427 2.309 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)o1 ZINC000257299805 463768438 /nfs/dbraw/zinc/76/84/38/463768438.db2.gz RRQRRGUBSHMUAF-ZDUSSCGKSA-N 0 0 331.420 2.330 40 0 EEABRN Cc1nc(C(=O)N2CCC3(C[C@@H](Cc4cnccn4)CO3)CC2)co1 ZINC000257299158 463768684 /nfs/dbraw/zinc/76/86/84/463768684.db2.gz ROYRBGKFTNXWIA-CQSZACIVSA-N 0 0 342.399 2.027 40 0 EEABRN CN(C(=O)CCc1cccnc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257309694 463772157 /nfs/dbraw/zinc/77/21/57/463772157.db2.gz UBZZSDFHJBGDSO-ZHALLVOQSA-N 0 0 342.443 2.214 40 0 EEABRN O=C(Cn1cnc2ccccc21)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257307750 463772280 /nfs/dbraw/zinc/77/22/80/463772280.db2.gz TTXWGHVDTZLVQT-OAHLLOKOSA-N 0 0 335.411 2.217 40 0 EEABRN CCn1nc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cc1C ZINC000257319241 463776070 /nfs/dbraw/zinc/77/60/70/463776070.db2.gz VRLVJTCRWJJMHM-QGZVFWFLSA-N 0 0 342.443 2.349 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCc2cc(OC)no2)ccn1 ZINC000257338806 463784191 /nfs/dbraw/zinc/78/41/91/463784191.db2.gz YZAQIZYOJNITOU-CQSZACIVSA-N 0 0 330.388 2.416 40 0 EEABRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000194321448 463836185 /nfs/dbraw/zinc/83/61/85/463836185.db2.gz HYYVFDKHEFLDGR-SFHVURJKSA-N 0 0 329.400 2.386 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C(F)F ZINC000194868405 463946017 /nfs/dbraw/zinc/94/60/17/463946017.db2.gz GNLIWIHCMLDHAI-SECBINFHSA-N 0 0 336.260 2.188 40 0 EEABRN CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cscn2)CC1 ZINC000186606964 464030752 /nfs/dbraw/zinc/03/07/52/464030752.db2.gz JBVKUDGWQTUNJI-UHFFFAOYSA-N 0 0 344.440 2.060 40 0 EEABRN CN(CCC(=O)NC1CC1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000195531242 464071826 /nfs/dbraw/zinc/07/18/26/464071826.db2.gz BVBMBWKVFWNXRJ-YLJYHZDGSA-N 0 0 326.440 2.408 40 0 EEABRN CC(C)n1ncc2c1ncn(C[C@H](O)CCc1ccccc1)c2=O ZINC000195562185 464077773 /nfs/dbraw/zinc/07/77/73/464077773.db2.gz YWMXPUCVKMJBEO-OAHLLOKOSA-N 0 0 326.400 2.168 40 0 EEABRN O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCCCN2)n1 ZINC000218378819 464109197 /nfs/dbraw/zinc/10/91/97/464109197.db2.gz PRNDEHPLZDNYSJ-AWEZNQCLSA-N 0 0 340.383 2.113 40 0 EEABRN CC1(C)CC(=O)Nc2ccc(C(=O)NCCCn3cccn3)cc21 ZINC000222280928 464127656 /nfs/dbraw/zinc/12/76/56/464127656.db2.gz SSQVESHBKUPXOG-UHFFFAOYSA-N 0 0 326.400 2.323 40 0 EEABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223675890 464145022 /nfs/dbraw/zinc/14/50/22/464145022.db2.gz HYWYSTWVXZIXPP-CABCVRRESA-N 0 0 331.397 2.210 40 0 EEABRN O=C(NCc1nccc(N2CCOCC2)n1)Nc1cccc(Cl)c1 ZINC000224171189 464147917 /nfs/dbraw/zinc/14/79/17/464147917.db2.gz KCPNGYKJGNNMDX-UHFFFAOYSA-N 0 0 347.806 2.288 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c(C)c1 ZINC000224154515 464148240 /nfs/dbraw/zinc/14/82/40/464148240.db2.gz MZXSHOIIBCZRLG-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN CN1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cn2)CC1 ZINC000224252457 464149347 /nfs/dbraw/zinc/14/93/47/464149347.db2.gz XGTRKWXNZKCJQT-UHFFFAOYSA-N 0 0 331.807 2.134 40 0 EEABRN COc1cncc(O[C@@H]2CCN(C(=O)CCc3cccc(C)c3)C2)n1 ZINC000225395559 464156951 /nfs/dbraw/zinc/15/69/51/464156951.db2.gz IAOXRLIGQRSYID-MRXNPFEDSA-N 0 0 341.411 2.406 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)CC(F)(F)F)C2=O)cc1C ZINC000225457310 464160519 /nfs/dbraw/zinc/16/05/19/464160519.db2.gz ABRUIDDLLZQZCB-DOMZBBRYSA-N 0 0 344.333 2.384 40 0 EEABRN Cc1ccccc1CN1CCN(C(=O)CSc2ncco2)CC1 ZINC000225445201 464161019 /nfs/dbraw/zinc/16/10/19/464161019.db2.gz SJVMFEPGOCFUHO-UHFFFAOYSA-N 0 0 331.441 2.420 40 0 EEABRN COc1ccccc1C(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225460732 464162059 /nfs/dbraw/zinc/16/20/59/464162059.db2.gz XWVMGVTXOXKZDK-CQSZACIVSA-N 0 0 327.384 2.477 40 0 EEABRN Cc1ccnc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)n1 ZINC000225475303 464163625 /nfs/dbraw/zinc/16/36/25/464163625.db2.gz GSOJVGUBBWPGLI-OAHLLOKOSA-N 0 0 342.447 2.028 40 0 EEABRN COCCNC(=O)c1cc(N)ccc1Nc1cc(OC)ccc1OC ZINC000225481629 464163974 /nfs/dbraw/zinc/16/39/74/464163974.db2.gz LBWMSWSSXYBDGF-UHFFFAOYSA-N 0 0 345.399 2.406 40 0 EEABRN O=C(NCCCNC(=O)c1ccnc2ccncc21)c1ccccc1 ZINC000225499430 464166767 /nfs/dbraw/zinc/16/67/67/464166767.db2.gz QTCDWLKSUFQLDU-UHFFFAOYSA-N 0 0 334.379 2.180 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000225506067 464166770 /nfs/dbraw/zinc/16/67/70/464166770.db2.gz DLBLDFTWKOSAIP-AWEZNQCLSA-N 0 0 346.456 2.217 40 0 EEABRN C[C@](O)(CNC(=O)C1CCN(CC(F)F)CC1)c1cccs1 ZINC000225560834 464172395 /nfs/dbraw/zinc/17/23/95/464172395.db2.gz HHYPAPGGUPBDDW-HNNXBMFYSA-N 0 0 332.416 2.049 40 0 EEABRN CC(C)Oc1cccc(NC(=S)NCCCN2CCOCC2)c1 ZINC000225585976 464173852 /nfs/dbraw/zinc/17/38/52/464173852.db2.gz OXCMCNIHCAVOFK-UHFFFAOYSA-N 0 0 337.489 2.483 40 0 EEABRN O=S(=O)(Cc1nc(C2CC2)no1)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000225574503 464173971 /nfs/dbraw/zinc/17/39/71/464173971.db2.gz KGYZEEOMTXNJHE-UHFFFAOYSA-N 0 0 348.359 2.450 40 0 EEABRN CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000225675774 464179260 /nfs/dbraw/zinc/17/92/60/464179260.db2.gz MRSFGEVOYKLCJM-AWEZNQCLSA-N 0 0 336.457 2.365 40 0 EEABRN COCc1cccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000188801994 464372668 /nfs/dbraw/zinc/37/26/68/464372668.db2.gz VDJSRQNYWILFKQ-QGZVFWFLSA-N 0 0 325.412 2.166 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 ZINC000238848440 464439249 /nfs/dbraw/zinc/43/92/49/464439249.db2.gz IWQUUXBDEYFYOP-GJZGRUSLSA-N 0 0 342.399 2.415 40 0 EEABRN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2cc3ccccc3o2)cn1 ZINC000240555883 464447800 /nfs/dbraw/zinc/44/78/00/464447800.db2.gz GXZKGCARRPKBKO-MRXNPFEDSA-N 0 0 345.424 2.138 40 0 EEABRN C[C@H](CC[C@H]1CCCO1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000245339426 464471253 /nfs/dbraw/zinc/47/12/53/464471253.db2.gz SPHHUHCQWSANPA-BHIYHBOVSA-N 0 0 346.471 2.351 40 0 EEABRN Cc1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245580562 464496191 /nfs/dbraw/zinc/49/61/91/464496191.db2.gz ITENLHAOKPZPRN-JKSUJKDBSA-N 0 0 345.468 2.064 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@@H](OCc1ccccn1)CCO2 ZINC000247850368 464709193 /nfs/dbraw/zinc/70/91/93/464709193.db2.gz INYNYEITPJIOLY-KRWDZBQOSA-N 0 0 339.395 2.067 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)s1 ZINC000248002357 464721474 /nfs/dbraw/zinc/72/14/74/464721474.db2.gz GAIKEAJRYNWERS-AWEZNQCLSA-N 0 0 332.429 2.196 40 0 EEABRN O=C1CCCCN1C[C@H]1CCC2(CN(Cc3ccccn3)C2)OC1 ZINC000248005489 464722993 /nfs/dbraw/zinc/72/29/93/464722993.db2.gz SPXNRGAITCXBET-MRXNPFEDSA-N 0 0 329.444 2.075 40 0 EEABRN Cn1cncc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248036689 464725473 /nfs/dbraw/zinc/72/54/73/464725473.db2.gz MXKPMVVSWDMMLY-JLJPHGGASA-N 0 0 348.472 2.073 40 0 EEABRN Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)o1 ZINC000248057954 464726760 /nfs/dbraw/zinc/72/67/60/464726760.db2.gz CKRGTMIHRJJVJU-ZWKOTPCHSA-N 0 0 331.416 2.235 40 0 EEABRN CCC1(CC)CN(Cc2ncnn2-c2ccccc2)CCS1(=O)=O ZINC000252486181 464963820 /nfs/dbraw/zinc/96/38/20/464963820.db2.gz HILUWVFOXYMIEP-UHFFFAOYSA-N 0 0 348.472 2.057 40 0 EEABRN CC(C)[C@@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccc(F)cc1F ZINC000252508155 464974832 /nfs/dbraw/zinc/97/48/32/464974832.db2.gz XERYYPOIPKEHAI-QMTHXVAHSA-N 0 0 345.365 2.435 40 0 EEABRN O=C(c1ccc(Oc2nccs2)cc1)N1CC(n2ccnn2)C1 ZINC000252527806 464979331 /nfs/dbraw/zinc/97/93/31/464979331.db2.gz DJTZPDJKXFWCOA-UHFFFAOYSA-N 0 0 327.369 2.224 40 0 EEABRN O=S(=O)(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cccs1 ZINC000252551064 464982802 /nfs/dbraw/zinc/98/28/02/464982802.db2.gz TXDTWPPGZDWBNS-HAQNSBGRSA-N 0 0 339.442 2.207 40 0 EEABRN Cc1ccccc1OCCCNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000253393001 464998071 /nfs/dbraw/zinc/99/80/71/464998071.db2.gz MOGMBNMVZAIPGG-INIZCTEOSA-N 0 0 345.443 2.264 40 0 EEABRN O=C(NCc1cc2cc(F)ccc2s1)N1CCN2CCOC[C@H]2C1 ZINC000253419811 465007270 /nfs/dbraw/zinc/00/72/70/465007270.db2.gz SGSAVXPZEIKVMC-CQSZACIVSA-N 0 0 349.431 2.266 40 0 EEABRN CC(C)N(C)c1ccccc1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000253421025 465009403 /nfs/dbraw/zinc/00/94/03/465009403.db2.gz XNEGJOQMFCAGAK-CYBMUJFWSA-N 0 0 327.432 2.071 40 0 EEABRN c1nc([C@@H](NCC2CCC3(CC2)OCCO3)c2ccccc2)n[nH]1 ZINC000253427023 465011296 /nfs/dbraw/zinc/01/12/96/465011296.db2.gz VFKCAIWVWLDCHI-INIZCTEOSA-N 0 0 328.416 2.417 40 0 EEABRN C[C@@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429426 465012594 /nfs/dbraw/zinc/01/25/94/465012594.db2.gz SDDMRPXJKDPFBO-IPQOISQHSA-N 0 0 338.864 2.121 40 0 EEABRN COc1ccc([C@@H]2CCCN2c2nccn3cnnc23)c(OC)c1 ZINC000253430995 465013329 /nfs/dbraw/zinc/01/33/29/465013329.db2.gz PNJOWLHTOIGCLR-AWEZNQCLSA-N 0 0 325.372 2.483 40 0 EEABRN Cc1cc(S(=O)(=O)NCc2nnc3n2CCCC3)sc1Cl ZINC000192949949 465018934 /nfs/dbraw/zinc/01/89/34/465018934.db2.gz JVSWXUSHQKWOJK-UHFFFAOYSA-N 0 0 346.865 2.116 40 0 EEABRN c1cc(N[C@@H]2CCCOC2)nc(N2CCC(OC3CCCC3)CC2)n1 ZINC000366657330 465859502 /nfs/dbraw/zinc/85/95/02/465859502.db2.gz FVFSKJREDTVYQA-OAHLLOKOSA-N 0 0 346.475 2.996 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000302852518 466197633 /nfs/dbraw/zinc/19/76/33/466197633.db2.gz QFBOGZWXLSHDPG-INIZCTEOSA-N 0 0 338.459 2.355 40 0 EEABRN Cc1cccc(COC[C@H]2CN(c3ncccn3)Cc3cncn32)n1 ZINC000306123421 466486241 /nfs/dbraw/zinc/48/62/41/466486241.db2.gz AMPWSSGGCWWRKH-QGZVFWFLSA-N 0 0 336.399 2.155 40 0 EEABRN CC(C)CN1CC[C@]2(CN(C(=O)C3CC3)C[C@@H]2c2nccs2)C1=O ZINC000306127895 466490205 /nfs/dbraw/zinc/49/02/05/466490205.db2.gz GKBFGWNIUPFZJS-RDTXWAMCSA-N 0 0 347.484 2.354 40 0 EEABRN Cc1nc(CO[C@@H]2Cn3nccc3CN(c3ncccn3)C2)cs1 ZINC000306141409 466494323 /nfs/dbraw/zinc/49/43/23/466494323.db2.gz VVABHLCOXLTTKI-HNNXBMFYSA-N 0 0 342.428 2.044 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000408550216 466681272 /nfs/dbraw/zinc/68/12/72/466681272.db2.gz BNUDCNPDOYKWTM-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000408733219 466683197 /nfs/dbraw/zinc/68/31/97/466683197.db2.gz GKEQSTZZVHEXKT-JSJNYSNDSA-N 0 0 335.359 2.035 40 0 EEABRN CCc1ccccc1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000390828533 467412475 /nfs/dbraw/zinc/41/24/75/467412475.db2.gz RSYJYGFAHXTMEM-UHFFFAOYSA-N 0 0 348.410 2.300 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 ZINC000575405881 468142684 /nfs/dbraw/zinc/14/26/84/468142684.db2.gz UROPLPAMPKBYJY-FHLIZLRMSA-N 0 0 325.412 2.467 40 0 EEABRN CCn1ccc2ccn(CCNC(=O)c3cc(C)oc3C)c(=O)c21 ZINC000575605388 468145955 /nfs/dbraw/zinc/14/59/55/468145955.db2.gz FBFYRJBGJMBAAD-UHFFFAOYSA-N 0 0 327.384 2.463 40 0 EEABRN COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccccc1C ZINC000585097830 468965098 /nfs/dbraw/zinc/96/50/98/468965098.db2.gz RMOPDIMBRLYXKP-INIZCTEOSA-N 0 0 329.400 2.018 40 0 EEABRN C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1ccoc1 ZINC000585097873 468965814 /nfs/dbraw/zinc/96/58/14/468965814.db2.gz SLMWAAQDZHTEOJ-LBPRGKRZSA-N 0 0 339.355 2.062 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585105077 468971772 /nfs/dbraw/zinc/97/17/72/468971772.db2.gz OUTUGVQPTBQNJH-CQSZACIVSA-N 0 0 327.409 2.256 40 0 EEABRN CC1(C)C(=O)N(Cc2c(Cl)oc3ccccc32)C(=O)N1CC(N)=O ZINC000585114175 468976748 /nfs/dbraw/zinc/97/67/48/468976748.db2.gz CPGOMAMHHJWACH-UHFFFAOYSA-N 0 0 349.774 2.114 40 0 EEABRN Cc1nc(-c2ccc(C(=O)N[C@@H](C)C3N=NC(=O)N3C)cc2)cs1 ZINC000585141014 468990117 /nfs/dbraw/zinc/99/01/17/468990117.db2.gz NYMPCYAXNOTZLB-VIFPVBQESA-N 0 0 343.412 2.444 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 ZINC000585181470 468995059 /nfs/dbraw/zinc/99/50/59/468995059.db2.gz ZMIMGQKYSSHYOT-HNNXBMFYSA-N 0 0 339.399 2.127 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000585266365 468996111 /nfs/dbraw/zinc/99/61/11/468996111.db2.gz SWAVHZQTCAJZEG-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2nonc2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585269013 468997670 /nfs/dbraw/zinc/99/76/70/468997670.db2.gz HLBDTXSQFZEGLB-RHSMWYFYSA-N 0 0 347.390 2.166 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCCN(C(=O)c2nccn2C)C1 ZINC000585276262 469001157 /nfs/dbraw/zinc/00/11/57/469001157.db2.gz HLGDRPJQWAPIAZ-IBGZPJMESA-N 0 0 343.427 2.429 40 0 EEABRN CO[C@]1(COc2ccccc2)COCCN(Cc2[nH]cnc2C)C1 ZINC000585277797 469003512 /nfs/dbraw/zinc/00/35/12/469003512.db2.gz XZSIJUAGOHJSOB-SFHVURJKSA-N 0 0 331.416 2.015 40 0 EEABRN Cc1ccc(C[C@@H]2CN(C(=O)c3cncc(O)c3)CC[C@H]2O)cc1 ZINC000585277874 469003647 /nfs/dbraw/zinc/00/36/47/469003647.db2.gz QMUQLYGRYCCCMC-SJLPKXTDSA-N 0 0 326.396 2.161 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585277807 469003784 /nfs/dbraw/zinc/00/37/84/469003784.db2.gz POQDOYLNFPTJEG-SFHVURJKSA-N 0 0 347.390 2.178 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@H]1Cc1ccccc1F ZINC000585279445 469006633 /nfs/dbraw/zinc/00/66/33/469006633.db2.gz MKRFVQPSJFMKCB-CZUORRHYSA-N 0 0 345.374 2.041 40 0 EEABRN O=C(Cn1c(=O)onc1-c1ncccn1)C12CC3CC(CC(C3)C1)C2 ZINC000623780092 469759715 /nfs/dbraw/zinc/75/97/15/469759715.db2.gz DSNXBIDVBRKDTN-UHFFFAOYSA-N 0 0 340.383 2.079 40 0 EEABRN CN1c2ccccc2C[C@@H](Nc2ncnc3c2ncn3C2CC2)C1=O ZINC000664195073 471672333 /nfs/dbraw/zinc/67/23/33/471672333.db2.gz JSUSEMUFBUAHOU-CYBMUJFWSA-N 0 0 334.383 2.161 40 0 EEABRN COc1ccc(Cc2noc(C(C)(C)n3cc(N)cn3)n2)cc1OC ZINC000656560031 471759780 /nfs/dbraw/zinc/75/97/80/471759780.db2.gz GJUDULZSNMBAFM-UHFFFAOYSA-N 0 0 343.387 2.240 40 0 EEABRN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)cs1 ZINC000682610222 486516701 /nfs/dbraw/zinc/51/67/01/486516701.db2.gz IIPPIYAYSOMPNL-HDBBIHSSSA-N 0 0 343.246 2.237 40 0 EEABRN CCCCc1ccc(NC(=O)C(=O)NCCCc2nc(C)no2)cc1 ZINC000096413581 521275916 /nfs/dbraw/zinc/27/59/16/521275916.db2.gz CWTSLFWVLZDOMB-UHFFFAOYSA-N 0 0 344.415 2.408 40 0 EEABRN Cc1cncc(CNC(=O)N2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000189690893 534681434 /nfs/dbraw/zinc/68/14/34/534681434.db2.gz CLSBVOVUYGJCNX-HNNXBMFYSA-N 0 0 331.445 2.123 40 0 EEABRN COc1nccn2c(CNC(=O)/C=C/c3ccccc3Cl)nnc12 ZINC000244933058 525076141 /nfs/dbraw/zinc/07/61/41/525076141.db2.gz BZAZPHNPQQINRJ-UHFFFAOYSA-N 0 0 343.774 2.116 40 0 EEABRN CCOC(=O)c1cnc2nc(SCc3ccccc3)nn2c1N ZINC000101296660 528134029 /nfs/dbraw/zinc/13/40/29/528134029.db2.gz VYTPFCWIPNCQCD-UHFFFAOYSA-N 0 0 329.385 2.006 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)on1 ZINC000257200289 536107481 /nfs/dbraw/zinc/10/74/81/536107481.db2.gz ACTNPWRQXYMIIF-LBPRGKRZSA-N 0 0 329.404 2.094 40 0 EEABRN CN1C(=O)CCC[C@H]2CN(C(=O)c3n[nH]c4ccccc43)CC[C@H]21 ZINC000257206285 536307319 /nfs/dbraw/zinc/30/73/19/536307319.db2.gz BCSBNVHZEQPJQO-SWLSCSKDSA-N 0 0 326.400 2.036 40 0 EEABRN COc1cc(CNC(=O)Cc2ccc(Cl)cn2)cc(OC)c1O ZINC000252497038 536781817 /nfs/dbraw/zinc/78/18/17/536781817.db2.gz PXTKDMDFDWLHJC-UHFFFAOYSA-N 0 0 336.775 2.317 40 0 EEABRN CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000895325935 684496207 /nfs/dbraw/zinc/49/62/07/684496207.db2.gz WDDDCHIKCFRCNG-WDYCEAGBSA-N 0 0 344.411 2.050 40 0 EEABRN Cc1nc(C)c(Br)c(N(C)C[C@@H](O)c2cccnc2)n1 ZINC000895937791 684782337 /nfs/dbraw/zinc/78/23/37/684782337.db2.gz WPXABVQHBLLNOI-GFCCVEGCSA-N 0 0 337.221 2.421 40 0 EEABRN CCn1c(C)cc2n[nH]c(NC(=O)c3ccnn3C3CCC3)c2c1=O ZINC000899175016 693646557 /nfs/dbraw/zinc/64/65/57/693646557.db2.gz PKMISTQVGJWQEN-UHFFFAOYSA-N 0 0 340.387 2.227 40 0 EEABRN Cc1ccc(Br)c(C(=O)N[C@H](CO)Cc2ccccc2)n1 ZINC000935063976 1208087637 /nfs/dbraw/zinc/08/76/37/1208087637.db2.gz FAWVHWVFPSCBNQ-ZDUSSCGKSA-N 0 0 349.228 2.486 40 0 EEABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]2(O)[C@@H]1COCCC1=O ZINC001740816623 1406109120 /nfs/dbraw/zinc/10/91/20/1406109120.db2.gz NIICJULXMQKIPG-QRWLVFNGSA-N 0 0 341.407 2.330 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)c1 ZINC000907522256 784690531 /nfs/dbraw/zinc/69/05/31/784690531.db2.gz AVJOIDQWYXUBSA-QGZVFWFLSA-N 0 0 345.424 2.049 40 0 EEABRN Cc1c[nH]c(=O)c(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC001478981781 1110659171 /nfs/dbraw/zinc/65/91/71/1110659171.db2.gz FZVKFKBSJHKFTA-IRXDYDNUSA-N 0 0 341.411 2.468 40 0 EEABRN O=c1n(Cc2ccc(F)cc2)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC001547201306 1124226211 /nfs/dbraw/zinc/22/62/11/1124226211.db2.gz YUTUFASTHQZRJA-UHFFFAOYSA-N 0 0 342.305 2.360 40 0 EEABRN O=C(OCCCn1cccn1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000066730786 215074529 /nfs/dbraw/zinc/07/45/29/215074529.db2.gz QYHDPTKHRVRACK-QGZVFWFLSA-N 0 0 341.411 2.369 40 0 EEABRN Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)C1CC1 ZINC000685939072 539988806 /nfs/dbraw/zinc/98/88/06/539988806.db2.gz KXHKRWPTQMXVMO-IRXDYDNUSA-N 0 0 340.427 2.312 40 0 EEABRN c1cncc(CN(CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000019338613 202003901 /nfs/dbraw/zinc/00/39/01/202003901.db2.gz VKKCXMSPBLPMOM-UHFFFAOYSA-N 0 0 326.444 2.201 40 0 EEABRN O=C(N[C@H](Cc1cccs1)c1nccs1)[C@@H]1CSCN1 ZINC000019343277 202006201 /nfs/dbraw/zinc/00/62/01/202006201.db2.gz JNASUURVQLMQMI-MNOVXSKESA-N 0 0 325.484 2.267 40 0 EEABRN CC(C)[C@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445601 202007325 /nfs/dbraw/zinc/00/73/25/202007325.db2.gz AUHZGVBALWBJIK-KRWDZBQOSA-N 0 0 349.394 2.354 40 0 EEABRN CC[C@@H](CN1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019500347 202008391 /nfs/dbraw/zinc/00/83/91/202008391.db2.gz NAFBMLISHYDOIJ-HNNXBMFYSA-N 0 0 347.434 2.385 40 0 EEABRN CCc1cc(CNC(=O)c2noc(C)c2Cc2c(C)n[nH]c2C)on1 ZINC000019522805 202010201 /nfs/dbraw/zinc/01/02/01/202010201.db2.gz XGEDTSBOEOQSJD-UHFFFAOYSA-N 0 0 343.387 2.394 40 0 EEABRN Cc1ccc(C)c(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 ZINC000020483219 202044831 /nfs/dbraw/zinc/04/48/31/202044831.db2.gz FGDNKFFNQIGOTH-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(OC)ccc21 ZINC000022235706 202081072 /nfs/dbraw/zinc/08/10/72/202081072.db2.gz DDEYVVYNQJRANX-UHFFFAOYSA-N 0 0 337.379 2.355 40 0 EEABRN CCn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2ccccc21 ZINC000022234440 202081272 /nfs/dbraw/zinc/08/12/72/202081272.db2.gz ZJAMFHIXPBXJGW-UHFFFAOYSA-N 0 0 335.363 2.373 40 0 EEABRN O=C(Cn1ccc2ccccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000038490003 202137169 /nfs/dbraw/zinc/13/71/69/202137169.db2.gz QSTPPQAHHKBGAK-DOTOQJQBSA-N 0 0 347.418 2.449 40 0 EEABRN Cc1nc(-c2ccc(CCNC(=O)CN3CCCC3=O)cc2)cs1 ZINC000040005428 202166602 /nfs/dbraw/zinc/16/66/02/202166602.db2.gz CMTJALSNSWBZRQ-UHFFFAOYSA-N 0 0 343.452 2.400 40 0 EEABRN Cc1ccn(-c2ccccc2CNC(=O)N(C)CC2(CO)CC2)n1 ZINC000187314526 236175638 /nfs/dbraw/zinc/17/56/38/236175638.db2.gz SVFDKZOAWBBKII-UHFFFAOYSA-N 0 0 328.416 2.095 40 0 EEABRN NC1=NC(=O)[C@@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000071974993 283408870 /nfs/dbraw/zinc/40/88/70/283408870.db2.gz WUKJGYZFDTVELF-MRXNPFEDSA-N 0 0 344.212 2.332 40 0 EEABRN CCn1c(CCC(N)=O)nnc1SCc1cccc(Cl)n1 ZINC000095404011 237051563 /nfs/dbraw/zinc/05/15/63/237051563.db2.gz RDGFIBFQDQEZNN-UHFFFAOYSA-N 0 0 325.825 2.057 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCc1ccn(C(C)C)n1 ZINC000096446801 237056110 /nfs/dbraw/zinc/05/61/10/237056110.db2.gz RCWGQTSWUBOFSD-UHFFFAOYSA-N 0 0 345.447 2.126 40 0 EEABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000192946680 237353102 /nfs/dbraw/zinc/35/31/02/237353102.db2.gz QQEIEUPAAFGENQ-UHFFFAOYSA-N 0 0 346.427 2.178 40 0 EEABRN O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1cccs1 ZINC000070925650 202337705 /nfs/dbraw/zinc/33/77/05/202337705.db2.gz XHALXEKURCMHPI-UHFFFAOYSA-N 0 0 329.425 2.425 40 0 EEABRN CC[C@H](CN1CCOCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000036741459 202330324 /nfs/dbraw/zinc/33/03/24/202330324.db2.gz FOJWXTUOXVYOTB-LJQANCHMSA-N 0 0 330.472 2.335 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000073964878 202367104 /nfs/dbraw/zinc/36/71/04/202367104.db2.gz SHUXHVFJOVIMEC-AWEZNQCLSA-N 0 0 336.399 2.228 40 0 EEABRN COc1c(C)cnc(CN2CCNC(=O)[C@H]2c2cccs2)c1C ZINC000072799966 202368093 /nfs/dbraw/zinc/36/80/93/202368093.db2.gz YFRSOPBANIOCQR-OAHLLOKOSA-N 0 0 331.441 2.442 40 0 EEABRN C[C@H]1COCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000072513667 202364016 /nfs/dbraw/zinc/36/40/16/202364016.db2.gz RYUSNVVQPLDJPL-QMMMGPOBSA-N 0 0 349.175 2.387 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(CCc3ccncc3)CC2)s1 ZINC000075968681 202379324 /nfs/dbraw/zinc/37/93/24/202379324.db2.gz RFOJRZUZZBKUAR-UHFFFAOYSA-N 0 0 346.456 2.080 40 0 EEABRN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCS(C)(=O)=O)CC1 ZINC000075863306 202380044 /nfs/dbraw/zinc/38/00/44/202380044.db2.gz MUKMRZNKVFDBLS-AWEZNQCLSA-N 0 0 344.908 2.453 40 0 EEABRN Cn1ccnc1-c1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 ZINC000077445930 202393691 /nfs/dbraw/zinc/39/36/91/202393691.db2.gz DWCSGHVSNSQIEG-UHFFFAOYSA-N 0 0 329.404 2.123 40 0 EEABRN CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113716 202394615 /nfs/dbraw/zinc/39/46/15/202394615.db2.gz CIUFEWKGOSAUSE-SFHVURJKSA-N 0 0 325.412 2.336 40 0 EEABRN CCOC(=O)NCCNC(=O)N(C)[C@@H](C)c1sc(C)nc1C ZINC000078605094 202397008 /nfs/dbraw/zinc/39/70/08/202397008.db2.gz ZEUOUERYRGQKDO-JTQLQIEISA-N 0 0 328.438 2.208 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)c1 ZINC000077183613 202386009 /nfs/dbraw/zinc/38/60/09/202386009.db2.gz ZMCVKVRFCJWLHK-HNNXBMFYSA-N 0 0 339.438 2.137 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000076585653 202388747 /nfs/dbraw/zinc/38/87/47/202388747.db2.gz QYXPTMYDVDYIGB-SNVBAGLBSA-N 0 0 348.262 2.480 40 0 EEABRN CN(C)C(=O)c1cccc(C(=O)OCc2ccc3c(c2)OCO3)c1 ZINC000078411224 202389696 /nfs/dbraw/zinc/38/96/96/202389696.db2.gz IXSKLCACLVZXTD-UHFFFAOYSA-N 0 0 327.336 2.474 40 0 EEABRN Cn1cccc1CNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000078337403 202389885 /nfs/dbraw/zinc/38/98/85/202389885.db2.gz LLMDMUPOFOBOEO-KRWDZBQOSA-N 0 0 335.448 2.285 40 0 EEABRN O=C([O-])C[N@H+](C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391618 202434055 /nfs/dbraw/zinc/43/40/55/202434055.db2.gz BLOICDLZVSKERK-MRXNPFEDSA-N 0 0 332.400 2.337 40 0 EEABRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000040460942 202440235 /nfs/dbraw/zinc/44/02/35/202440235.db2.gz RNWXRUYWDNWBNC-UHFFFAOYSA-N 0 0 343.387 2.206 40 0 EEABRN COc1c(Br)c(C)sc1C(=O)NCc1cnn(C)c1 ZINC000079713497 202446522 /nfs/dbraw/zinc/44/65/22/202446522.db2.gz SKGJQDXDQIFDJH-UHFFFAOYSA-N 0 0 344.234 2.491 40 0 EEABRN NC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000057327163 201138736 /nfs/dbraw/zinc/13/87/36/201138736.db2.gz NFYCNXSBSHQRBZ-JTQLQIEISA-N 0 0 339.326 2.472 40 0 EEABRN C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000077931547 201183841 /nfs/dbraw/zinc/18/38/41/201183841.db2.gz NOZFOFGVAVWVDE-ZIAGYGMSSA-N 0 0 347.436 2.249 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)NCCCn1nc(C)c2ccccc21 ZINC000257173822 201191968 /nfs/dbraw/zinc/19/19/68/201191968.db2.gz YHGZCQZMCBHPPO-UHFFFAOYSA-N 0 0 325.416 2.434 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)NC[C@@H](C)c1c(C)noc1C)CC2 ZINC000269797526 201232502 /nfs/dbraw/zinc/23/25/02/201232502.db2.gz CBVADWIOVBJYSN-RISCZKNCSA-N 0 0 349.431 2.380 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000047188667 202577483 /nfs/dbraw/zinc/57/74/83/202577483.db2.gz GRQFNGIGNYKWPG-RHSMWYFYSA-N 0 0 343.427 2.108 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@H](CO)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000085469105 202617593 /nfs/dbraw/zinc/61/75/93/202617593.db2.gz WSIRVQJILZYODM-APHBMKBZSA-N 0 0 337.847 2.400 40 0 EEABRN CCC1(CC)CC(=O)N(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000193661212 240253688 /nfs/dbraw/zinc/25/36/88/240253688.db2.gz AXRACOCXYCMTGP-NSHDSACASA-N 0 0 348.365 2.353 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nnc(C(F)F)s1 ZINC000088375104 202785636 /nfs/dbraw/zinc/78/56/36/202785636.db2.gz UTJVKGXNFWXCHZ-LURJTMIESA-N 0 0 343.363 2.286 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000222973454 241584173 /nfs/dbraw/zinc/58/41/73/241584173.db2.gz PEYBCLNTKYHKQR-CYBMUJFWSA-N 0 0 330.384 2.342 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225201950 241806809 /nfs/dbraw/zinc/80/68/09/241806809.db2.gz FRBZDKXOVMEAEE-VXGBXAGGSA-N 0 0 330.425 2.141 40 0 EEABRN COC(=O)c1cc(N)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000225489350 241895439 /nfs/dbraw/zinc/89/54/39/241895439.db2.gz WFONMDLHYFDECB-UHFFFAOYSA-N 0 0 341.411 2.391 40 0 EEABRN CC[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225545621 241922505 /nfs/dbraw/zinc/92/25/05/241922505.db2.gz JLCCMKUBRQZYLB-NSHDSACASA-N 0 0 332.853 2.016 40 0 EEABRN COc1cc(C)n(CCNC(=O)c2ccc(F)cc2Cl)c(=O)c1 ZINC000225614580 241952098 /nfs/dbraw/zinc/95/20/98/241952098.db2.gz OFQCXDBKEDPCER-UHFFFAOYSA-N 0 0 338.766 2.388 40 0 EEABRN COCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225802505 242042628 /nfs/dbraw/zinc/04/26/28/242042628.db2.gz ZZUQJHNXIBPAAZ-UHFFFAOYSA-N 0 0 343.305 2.451 40 0 EEABRN CC(C)c1nc2n(n1)C[C@@H](Nc1nnc(-c3ccon3)s1)CC2 ZINC000225819822 242052545 /nfs/dbraw/zinc/05/25/45/242052545.db2.gz XXNNRDWRXOZEGO-VIFPVBQESA-N 0 0 331.405 2.335 40 0 EEABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1ccccn1 ZINC000225722452 242005969 /nfs/dbraw/zinc/00/59/69/242005969.db2.gz DRHDFPCWVACVBF-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN Cc1nc(CNC(=O)COc2ccn(-c3ccccc3)n2)cs1 ZINC000226853227 242118076 /nfs/dbraw/zinc/11/80/76/242118076.db2.gz QYPPNIVZPFHPTQ-UHFFFAOYSA-N 0 0 328.397 2.332 40 0 EEABRN C[C@@H]1CCCN(C(=O)Cn2cc(COc3cccc(F)c3)nn2)C1 ZINC000227169818 242126437 /nfs/dbraw/zinc/12/64/37/242126437.db2.gz SWZVHTAFHMCPHH-CYBMUJFWSA-N 0 0 332.379 2.255 40 0 EEABRN Cc1cc(Cl)ccc1OCC(=O)OCCNC(=O)c1cccnc1 ZINC000002679813 201540650 /nfs/dbraw/zinc/54/06/50/201540650.db2.gz IKANCUAUJXZXPQ-UHFFFAOYSA-N 0 0 348.786 2.395 40 0 EEABRN CCS(=O)(=O)c1ccc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000241447104 242991861 /nfs/dbraw/zinc/99/18/61/242991861.db2.gz NRFLGBSAFYPLIE-PBHICJAKSA-N 0 0 339.457 2.255 40 0 EEABRN Cc1ccc(C)c(CN2CC3(C2)C[C@H](OCC(=O)N(C)C)CCO3)c1 ZINC000248026378 243505554 /nfs/dbraw/zinc/50/55/54/243505554.db2.gz SKMICMSPILQBKD-GOSISDBHSA-N 0 0 346.471 2.142 40 0 EEABRN COc1cc(C)n(CCNC(=O)c2ccc(OC(C)C)cc2)c(=O)c1 ZINC000252498348 243817292 /nfs/dbraw/zinc/81/72/92/243817292.db2.gz QZGCJOOUTQDWAJ-UHFFFAOYSA-N 0 0 344.411 2.383 40 0 EEABRN O=C(c1ccccn1)N1CC[C@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000091741966 203075103 /nfs/dbraw/zinc/07/51/03/203075103.db2.gz YECGIFDAZYCPOA-NSHDSACASA-N 0 0 334.326 2.405 40 0 EEABRN CCN(C)C(=O)CNC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000253430078 243980392 /nfs/dbraw/zinc/98/03/92/243980392.db2.gz XALPPYUQEVGEGL-CYBMUJFWSA-N 0 0 337.395 2.205 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000253480907 244001313 /nfs/dbraw/zinc/00/13/13/244001313.db2.gz ZPNXPNXYKRZEIV-CQSZACIVSA-N 0 0 342.399 2.111 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CCN1C ZINC000257201458 244119917 /nfs/dbraw/zinc/11/99/17/244119917.db2.gz AHUOHYYETTVNLQ-MRXNPFEDSA-N 0 0 341.411 2.233 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cnc(C)nc1 ZINC000257202814 244123893 /nfs/dbraw/zinc/12/38/93/244123893.db2.gz ANNLVQLUYHPMTE-SFHVURJKSA-N 0 0 340.427 2.199 40 0 EEABRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(C)c1 ZINC000071980376 203157248 /nfs/dbraw/zinc/15/72/48/203157248.db2.gz PFICZHPYWBJAIB-MRXNPFEDSA-N 0 0 346.427 2.123 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2ccnc2C(C)C)n1 ZINC000257213189 244157993 /nfs/dbraw/zinc/15/79/93/244157993.db2.gz CGMUOFPAGFJLPX-AWEZNQCLSA-N 0 0 331.420 2.028 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)n1 ZINC000257222692 244190369 /nfs/dbraw/zinc/19/03/69/244190369.db2.gz DUJMUDRXHPPZSE-AWEZNQCLSA-N 0 0 343.431 2.389 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2Cc2nccn2C(C)C)n1 ZINC000257225815 244199618 /nfs/dbraw/zinc/19/96/18/244199618.db2.gz FHXYLKLKNGFFGB-MRXNPFEDSA-N 0 0 342.447 2.227 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)cc2n1 ZINC000257231999 244216838 /nfs/dbraw/zinc/21/68/38/244216838.db2.gz GIYPIZKAICLWSG-SFHVURJKSA-N 0 0 349.438 2.475 40 0 EEABRN CC(C)c1nnsc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257226377 244202759 /nfs/dbraw/zinc/20/27/59/244202759.db2.gz FKKLGFIFQLABOZ-LLVKDONJSA-N 0 0 347.444 2.276 40 0 EEABRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cn1 ZINC000257227454 244204815 /nfs/dbraw/zinc/20/48/15/244204815.db2.gz FPJYOLQMRXOILN-INIZCTEOSA-N 0 0 325.412 2.184 40 0 EEABRN O=C(c1ccccc1C(F)(F)F)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257227783 244205888 /nfs/dbraw/zinc/20/58/88/244205888.db2.gz FQVZFYBTQZZNRP-ZFWWWQNUSA-N 0 0 329.318 2.461 40 0 EEABRN CCCc1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000257219871 244182502 /nfs/dbraw/zinc/18/25/02/244182502.db2.gz DIOIUXYADCQPBG-DJIMGWMZSA-N 0 0 330.384 2.328 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@H](c3cncc(C)n3)C2)c1 ZINC000072369429 203209589 /nfs/dbraw/zinc/20/95/89/203209589.db2.gz GPNTUPQPJWYTMM-AWEZNQCLSA-N 0 0 347.440 2.362 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 ZINC000257245335 244255813 /nfs/dbraw/zinc/25/58/13/244255813.db2.gz IPAAVWBAUXWTKU-LBPRGKRZSA-N 0 0 326.356 2.140 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257235969 244229453 /nfs/dbraw/zinc/22/94/53/244229453.db2.gz HAHNLELRBABXFW-CRAIPNDOSA-N 0 0 330.384 2.336 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257239093 244237310 /nfs/dbraw/zinc/23/73/10/244237310.db2.gz HNXVYLKWMXXDNZ-NSHDSACASA-N 0 0 341.337 2.106 40 0 EEABRN c1cn(-c2cncc([C@@H]3CCCN(Cc4cscn4)C3)n2)cn1 ZINC000257239245 244238605 /nfs/dbraw/zinc/23/86/05/244238605.db2.gz HOOJQQMRZLJOTP-CYBMUJFWSA-N 0 0 326.429 2.498 40 0 EEABRN CN(C)C(=O)CN1CCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072354793 203204891 /nfs/dbraw/zinc/20/48/91/203204891.db2.gz LKFPMJYJTGGERL-HNNXBMFYSA-N 0 0 343.406 2.090 40 0 EEABRN NC(=O)CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072367826 203207435 /nfs/dbraw/zinc/20/74/35/203207435.db2.gz JLNXENRKPSSDTD-UHFFFAOYSA-N 0 0 330.819 2.462 40 0 EEABRN Cc1nccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@@H]32)n1 ZINC000257241469 244245884 /nfs/dbraw/zinc/24/58/84/244245884.db2.gz HYCXYZQYUQILEG-IIDMSEBBSA-N 0 0 339.443 2.250 40 0 EEABRN Cc1cc(-c2cc3nc(C)c(C)c(NC[C@@H]4COCCO4)n3n2)no1 ZINC000072396861 203213759 /nfs/dbraw/zinc/21/37/59/203213759.db2.gz PZHQANOSPKOBCF-CYBMUJFWSA-N 0 0 343.387 2.137 40 0 EEABRN CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000072408123 203215626 /nfs/dbraw/zinc/21/56/26/203215626.db2.gz BJODBCUZRCLJPP-AWEZNQCLSA-N 0 0 326.352 2.440 40 0 EEABRN COc1ccc(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255544 244282563 /nfs/dbraw/zinc/28/25/63/244282563.db2.gz KHWOMDDPSCKKTL-MRXNPFEDSA-N 0 0 347.390 2.164 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc(C)n1 ZINC000257256574 244283774 /nfs/dbraw/zinc/28/37/74/244283774.db2.gz KMBBGDDZBDYMDW-HNNXBMFYSA-N 0 0 328.420 2.073 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccc(C)s2)CCO1 ZINC000257257920 244288273 /nfs/dbraw/zinc/28/82/73/244288273.db2.gz KRQNEANOUVGQDR-ZDUSSCGKSA-N 0 0 332.429 2.031 40 0 EEABRN C[C@@]1(c2ncc(CNC(=O)c3n[nH]c4c3CCC4)cn2)CCCCO1 ZINC000257259310 244289938 /nfs/dbraw/zinc/28/99/38/244289938.db2.gz KXTHIBKSPUXPIG-SFHVURJKSA-N 0 0 341.415 2.034 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257265677 244360962 /nfs/dbraw/zinc/36/09/62/244360962.db2.gz LZVBYDOFVCZEDY-AWEZNQCLSA-N 0 0 338.411 2.312 40 0 EEABRN O=C(CCc1cccs1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265422 244361930 /nfs/dbraw/zinc/36/19/30/244361930.db2.gz LYOYLLFKPJRCIK-AWEZNQCLSA-N 0 0 347.440 2.037 40 0 EEABRN Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@H]23)cn1 ZINC000257268850 244369259 /nfs/dbraw/zinc/36/92/59/244369259.db2.gz MNMOIUYHWFMBKE-OWCLPIDISA-N 0 0 339.443 2.111 40 0 EEABRN O=C(c1cnccn1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257260493 244346496 /nfs/dbraw/zinc/34/64/96/244346496.db2.gz LDDAZHKYASIJTE-OAHLLOKOSA-N 0 0 336.395 2.289 40 0 EEABRN O=C(c1cccc(=O)[nH]1)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257261981 244350438 /nfs/dbraw/zinc/35/04/38/244350438.db2.gz LJNNYNQCQBEEBQ-INWMFGNUSA-N 0 0 325.368 2.112 40 0 EEABRN CCCN1C(=O)N(Cc2ccnn2C)[C@H]2CC[C@@H](c3cnccn3)[C@H]21 ZINC000257264611 244357776 /nfs/dbraw/zinc/35/77/76/244357776.db2.gz LVFYUOADUYNUAS-BHYGNILZSA-N 0 0 340.431 2.173 40 0 EEABRN Cc1csc(Nc2cccc(C3CCN(C(=O)CO)CC3)n2)n1 ZINC000257274042 244386679 /nfs/dbraw/zinc/38/66/79/244386679.db2.gz NJHNHTJHKUYIPY-UHFFFAOYSA-N 0 0 332.429 2.288 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2sc1=O ZINC000075433439 203315206 /nfs/dbraw/zinc/31/52/06/203315206.db2.gz UEGLHSXBJIELRN-UHFFFAOYSA-N 0 0 346.433 2.351 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)NC1(c2ccc(F)cc2)CCCC1 ZINC000076878754 203366528 /nfs/dbraw/zinc/36/65/28/203366528.db2.gz BYBYMRLPZVRXBL-UHFFFAOYSA-N 0 0 348.418 2.350 40 0 EEABRN Cc1ccccc1CS(=O)(=O)NC[C@H]1COc2ccccc2O1 ZINC000076670715 203362003 /nfs/dbraw/zinc/36/20/03/203362003.db2.gz FRFGTBMWLKQEJK-HNNXBMFYSA-N 0 0 333.409 2.254 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3F)C2)nc1 ZINC000078086560 203411456 /nfs/dbraw/zinc/41/14/56/203411456.db2.gz YOHOPNJDBYCMFH-ZDUSSCGKSA-N 0 0 342.374 2.415 40 0 EEABRN Cc1cccc([C@H](O)[C@](Cl)(Br)S(C)(=O)=O)c1 ZINC000096519784 203893297 /nfs/dbraw/zinc/89/32/97/203893297.db2.gz HJGQJEFVTVSBBN-VHSXEESVSA-N 0 0 327.627 2.361 40 0 EEABRN COc1cc(N2CC[C@@H]3[C@@H](CO[C@H]3Cc3nc(C)cs3)C2)ncn1 ZINC000096218738 203872830 /nfs/dbraw/zinc/87/28/30/203872830.db2.gz LXYZWOSXLJFPNO-MCIONIFRSA-N 0 0 346.456 2.334 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC(c3nc(CC(C)C)no3)CC2)n1 ZINC000041123111 204006204 /nfs/dbraw/zinc/00/62/04/204006204.db2.gz OOAQHDZYKNPBBB-UHFFFAOYSA-N 0 0 345.447 2.488 40 0 EEABRN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cnccn2)n1 ZINC000107257060 204230307 /nfs/dbraw/zinc/23/03/07/204230307.db2.gz CWCOHGRFXBFCCC-HEHGZKQESA-N 0 0 332.429 2.134 40 0 EEABRN O=C(C1CC1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108526082 204265491 /nfs/dbraw/zinc/26/54/91/204265491.db2.gz ODCJQOKDUBDSDC-UHFFFAOYSA-N 0 0 334.460 2.054 40 0 EEABRN Cn1ccnc1N1CCN(C(=O)CCSc2ccccc2)CC1 ZINC000049342716 204384473 /nfs/dbraw/zinc/38/44/73/204384473.db2.gz HURYEQLCRLYBEL-UHFFFAOYSA-N 0 0 330.457 2.251 40 0 EEABRN COc1ccccc1C(=O)Nc1cc(N)ccc1N1CCOCC1 ZINC000226252839 205122232 /nfs/dbraw/zinc/12/22/32/205122232.db2.gz IIAALZKDOVLNHM-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN COC(=O)c1cccc(OC[C@H](O)Cn2cnc3ccccc32)c1 ZINC000004385390 205703419 /nfs/dbraw/zinc/70/34/19/205703419.db2.gz DDEHBBAEYPWWFW-CQSZACIVSA-N 0 0 326.352 2.263 40 0 EEABRN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000159146680 206228222 /nfs/dbraw/zinc/22/82/22/206228222.db2.gz YAAZTFHTLBPYEV-FZMZJTMJSA-N 0 0 349.406 2.348 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@@](C)(CO)[C@]3(C)OC(C)(C)O[C@]3(C)[C@@]2(C)O1 ZINC000101109465 206268244 /nfs/dbraw/zinc/26/82/44/206268244.db2.gz CYMKALUCKAWBMD-VIQHNZTISA-N 0 0 330.421 2.326 40 0 EEABRN O=C(c1ccnnc1)N1Cc2cncn2[C@@H](COCC2CCCC2)C1 ZINC000247870914 296275729 /nfs/dbraw/zinc/27/57/29/296275729.db2.gz QOPHJSIXTSVEND-QGZVFWFLSA-N 0 0 341.415 2.077 40 0 EEABRN Cn1ccnc(Nc2ccn(Cc3cccc4cccnc43)n2)c1=O ZINC000095403188 218338885 /nfs/dbraw/zinc/33/88/85/218338885.db2.gz HUWYPVXFCKBBKU-UHFFFAOYSA-N 0 0 332.367 2.317 40 0 EEABRN O=C(NC1CC1)[C@H]1CCCN1C(=O)NCCC1Cc2ccccc2C1 ZINC000095440857 218385516 /nfs/dbraw/zinc/38/55/16/218385516.db2.gz MFURSISOPINSPG-GOSISDBHSA-N 0 0 341.455 2.244 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)c(=O)[nH]c1C ZINC000257269677 291760580 /nfs/dbraw/zinc/76/05/80/291760580.db2.gz MQXHSMHHSMAPEZ-CQSZACIVSA-N 0 0 326.400 2.198 40 0 EEABRN CCOc1ncnc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000096255615 218725073 /nfs/dbraw/zinc/72/50/73/218725073.db2.gz LQEMABBALQAGRT-UHFFFAOYSA-N 0 0 344.390 2.325 40 0 EEABRN CCN(c1ccc(OCC(=O)NC)cc1)S(=O)(=O)c1ccccc1 ZINC000013584854 207470597 /nfs/dbraw/zinc/47/05/97/207470597.db2.gz HXZHVBPTHAGZEV-UHFFFAOYSA-N 0 0 348.424 2.027 40 0 EEABRN O=C(NN1CCOCC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096421655 218787882 /nfs/dbraw/zinc/78/78/82/218787882.db2.gz WQKWCSQDUKFUNS-NEPJUHHUSA-N 0 0 330.306 2.052 40 0 EEABRN COc1ccc(CC(=O)N2CCCN(C(=O)CC3CCC3)CC2)cc1 ZINC000096430768 218805402 /nfs/dbraw/zinc/80/54/02/218805402.db2.gz MDLAMIVUDOBDEN-UHFFFAOYSA-N 0 0 344.455 2.489 40 0 EEABRN CC(=O)N(C)c1ccc(OC(=O)c2cnn(C)c2-n2cccc2)cc1 ZINC000096431550 218806072 /nfs/dbraw/zinc/80/60/72/218806072.db2.gz HBXPLARBIJZMBL-UHFFFAOYSA-N 0 0 338.367 2.413 40 0 EEABRN Cn1cc(C[C@H]2CCN(C(=O)Nc3cccc([S@](C)=O)c3)C2)cn1 ZINC000096445985 218828391 /nfs/dbraw/zinc/82/83/91/218828391.db2.gz WGISYLXCZZAWFA-YEBMWUKDSA-N 0 0 346.456 2.254 40 0 EEABRN Cc1ccc([C@@H](C)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)s1 ZINC000096448323 218831286 /nfs/dbraw/zinc/83/12/86/218831286.db2.gz OTRCJPLJRMCYAN-GFCCVEGCSA-N 0 0 344.502 2.042 40 0 EEABRN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCCSC1 ZINC000096452359 218835558 /nfs/dbraw/zinc/83/55/58/218835558.db2.gz QLSJBLAGGHATHM-SZNDQCEHSA-N 0 0 326.487 2.130 40 0 EEABRN O=C(Cc1ccon1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096493007 218871167 /nfs/dbraw/zinc/87/11/67/218871167.db2.gz DHNTWUPUUCHTJJ-UHFFFAOYSA-N 0 0 336.395 2.241 40 0 EEABRN CCS(=O)(=O)c1cccc(C(=O)NCc2ccn3ccnc3c2)c1 ZINC000097230178 219000175 /nfs/dbraw/zinc/00/01/75/219000175.db2.gz HCSVPQDFHBCZCR-UHFFFAOYSA-N 0 0 343.408 2.058 40 0 EEABRN CC(C)n1cccc1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000097230266 219000463 /nfs/dbraw/zinc/00/04/63/219000463.db2.gz UKQUPEZMENVZHG-UHFFFAOYSA-N 0 0 326.400 2.062 40 0 EEABRN COc1ccc([C@@]2(O)CC(C)=NN2C(=O)[C@@H](O)c2ccccc2)cc1 ZINC000408563236 257896577 /nfs/dbraw/zinc/89/65/77/257896577.db2.gz JXZYBEWZIVWYNG-HKUYNNGSSA-N 0 0 340.379 2.182 40 0 EEABRN CN1CCN(C(=O)COc2ccc(C3SCCS3)cc2)CC1 ZINC000408567414 257896822 /nfs/dbraw/zinc/89/68/22/257896822.db2.gz DPFWEFXZDDASJI-UHFFFAOYSA-N 0 0 338.498 2.318 40 0 EEABRN C[C@@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1nnnn1C ZINC000189756906 533555759 /nfs/dbraw/zinc/55/57/59/533555759.db2.gz IBLDYZNBUDPARL-LLVKDONJSA-N 0 0 341.375 2.298 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2c3ccccc3C3=NCCN3C2=O)C1 ZINC000012183003 135692517 /nfs/dbraw/zinc/69/25/17/135692517.db2.gz JOEUPBBDMRIFRG-ZIAGYGMSSA-N 0 0 340.427 2.193 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1Cl ZINC000278815398 274408491 /nfs/dbraw/zinc/40/84/91/274408491.db2.gz NWABGVTUMKQMGB-UHFFFAOYSA-N 0 0 329.809 2.216 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3C)CC1 ZINC000252494284 276199279 /nfs/dbraw/zinc/19/92/79/276199279.db2.gz NQXYLBDZCWCUFL-UHFFFAOYSA-N 0 0 336.457 2.406 40 0 EEABRN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000004454622 276290701 /nfs/dbraw/zinc/29/07/01/276290701.db2.gz GKODNDKXBJOUAT-VWPFQQQWSA-N 0 0 333.771 2.190 40 0 EEABRN COC(=O)C1=C(C(=O)OC)[C@@H]2CC[C@H]1[C@@H]1[C@@H]2N=NN1c1ccccc1 ZINC000016940460 277050836 /nfs/dbraw/zinc/05/08/36/277050836.db2.gz UTYXLIXJBMPAFQ-UAXWRAGISA-N 0 0 341.367 2.293 40 0 EEABRN CC(=O)N1CCC(c2c3nccnc3sc2C(=O)N(C)C)CC1 ZINC000257206000 277983927 /nfs/dbraw/zinc/98/39/27/277983927.db2.gz BBLBWRVTFDNWTJ-UHFFFAOYSA-N 0 0 332.429 2.119 40 0 EEABRN CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@H]1C(C)C ZINC000030880820 278118615 /nfs/dbraw/zinc/11/86/15/278118615.db2.gz FPPXUZHYZIMPRY-FHWLQOOXSA-N 0 0 349.519 2.141 40 0 biogenic,in-vitro EEABRN CC1=C[C@]2(C)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2N=C1 ZINC000005662585 278509530 /nfs/dbraw/zinc/50/95/30/278509530.db2.gz BTFCAJFWZGIFNV-CFAJVAMVSA-N 0 0 330.771 2.386 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000096425559 278933483 /nfs/dbraw/zinc/93/34/83/278933483.db2.gz WSPCNPLFYFSAGC-AWEZNQCLSA-N 0 0 338.473 2.176 40 0 EEABRN Cc1nc(CN2C[C@@]3(CCN(c4ncc(F)cn4)C3)CC2=O)cs1 ZINC000096239355 279084136 /nfs/dbraw/zinc/08/41/36/279084136.db2.gz RFDBMCJIVYXSMW-INIZCTEOSA-N 0 0 347.419 2.010 40 0 EEABRN CCOC(=O)[C@@H]1Cc2c(=O)[nH]c(=S)[nH]c2O[C@@H]1c1ccccc1 ZINC000017126502 279598691 /nfs/dbraw/zinc/59/86/91/279598691.db2.gz LIWQKHOSGMYYSE-ZYHUDNBSSA-N 0 0 332.381 2.326 40 0 EEABRN O=C(c1cscn1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065718 280237672 /nfs/dbraw/zinc/23/76/72/280237672.db2.gz HEJGSGXVXQUUTN-JYJNAYRXSA-N 0 0 345.424 2.127 40 0 EEABRN O=C(c1ncccn1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257332874 280243520 /nfs/dbraw/zinc/24/35/20/280243520.db2.gz XZDFJEQJKVAUNB-INIZCTEOSA-N 0 0 348.406 2.356 40 0 EEABRN O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2ccccc2)cc1 ZINC000040166947 280301630 /nfs/dbraw/zinc/30/16/30/280301630.db2.gz LZQPYRUEAPSCKI-HOTGVXAUSA-N 0 0 328.393 2.049 40 0 EEABRN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000096416061 301810103 /nfs/dbraw/zinc/81/01/03/301810103.db2.gz UYFNENRGGQOSTE-ZIAGYGMSSA-N 0 0 340.445 2.402 40 0 EEABRN Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000041122698 302850360 /nfs/dbraw/zinc/85/03/60/302850360.db2.gz NQKNUWBOXZHTNC-ZDUSSCGKSA-N 0 0 325.365 2.433 40 0 EEABRN O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004301493 303815482 /nfs/dbraw/zinc/81/54/82/303815482.db2.gz NOZQPOBODIBCFC-IUOCYGORSA-N 0 0 340.423 2.041 40 0 EEABRN CC1(C)CC[C@H](CN2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)O1 ZINC000328902658 311630744 /nfs/dbraw/zinc/63/07/44/311630744.db2.gz GWMDMDDRPXFJCR-VXGBXAGGSA-N 0 0 348.369 2.171 40 0 EEABRN O=C(c1ccc2c(c1O)CCCC2)N1CCNC[C@@H]1c1ccncc1 ZINC000333334440 312131917 /nfs/dbraw/zinc/13/19/17/312131917.db2.gz WUOYTDRLOOEZRT-GOSISDBHSA-N 0 0 337.423 2.453 40 0 EEABRN CN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cn1 ZINC000333872139 312207974 /nfs/dbraw/zinc/20/79/74/312207974.db2.gz PNLVRLCCMFRLFN-ZDUSSCGKSA-N 0 0 334.395 2.111 40 0 EEABRN O=C(NC[C@@H]1CCCC1(F)F)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000334093770 312238583 /nfs/dbraw/zinc/23/85/83/312238583.db2.gz PUSHRCFTDCBQDN-KBPBESRZSA-N 0 0 337.370 2.305 40 0 EEABRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000097236705 323321302 /nfs/dbraw/zinc/32/13/02/323321302.db2.gz SNIAVGJCFLLBOV-GFCCVEGCSA-N 0 0 338.367 2.466 40 0 EEABRN Cn1nccc1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000097372293 323322315 /nfs/dbraw/zinc/32/23/15/323322315.db2.gz KIVIZHDBVALNJV-UHFFFAOYSA-N 0 0 334.807 2.158 40 0 EEABRN O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)Br ZINC000085397097 462543619 /nfs/dbraw/zinc/54/36/19/462543619.db2.gz JRXZVSMCWMFEQS-UHFFFAOYSA-N 0 0 333.176 2.319 40 0 EEABRN CNC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000000415412 462560396 /nfs/dbraw/zinc/56/03/96/462560396.db2.gz VGPSKJSBAKJCMZ-QMMMGPOBSA-N 0 0 347.469 2.302 40 0 EEABRN Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1ccccc1 ZINC000086062279 462564777 /nfs/dbraw/zinc/56/47/77/462564777.db2.gz CWNIBJQZKZCRJD-CQSZACIVSA-N 0 0 339.395 2.348 40 0 EEABRN C[C@@H](Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(F)c1 ZINC000086164648 462565961 /nfs/dbraw/zinc/56/59/61/462565961.db2.gz RQPURLVEPYDOHN-SNVBAGLBSA-N 0 0 329.372 2.379 40 0 EEABRN COc1ccc(CNc2c3c(nc4nnnn42)CCCC3)cc1OC ZINC000001351203 462580356 /nfs/dbraw/zinc/58/03/56/462580356.db2.gz YYFRPXSRBAKNAM-UHFFFAOYSA-N 0 0 340.387 2.027 40 0 EEABRN COC(=O)CN(C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000001601417 462585132 /nfs/dbraw/zinc/58/51/32/462585132.db2.gz XTJRGSCTRRYKKV-UHFFFAOYSA-N 0 0 327.336 2.432 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004132304 462628018 /nfs/dbraw/zinc/62/80/18/462628018.db2.gz ZNZLSSZTJVGCMM-UHFFFAOYSA-N 0 0 347.484 2.224 40 0 EEABRN O=C(CSc1n[nH]c(-c2ccccn2)n1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004488118 462633239 /nfs/dbraw/zinc/63/32/39/462633239.db2.gz FLUMZUYIHRRTPF-DMDPSCGWSA-N 0 0 329.429 2.264 40 0 EEABRN CCOC(=O)N[C@@H]1[C@@H](O)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2O[C@@H]1OC ZINC000004531028 462634041 /nfs/dbraw/zinc/63/40/41/462634041.db2.gz OGNXEDDZAJYKJV-ZXXIGWHRSA-N 0 0 349.427 2.417 40 0 EEABRN Cc1ccc(CN2c3ccc(NS(C)(=O)=O)cc3OCC2=O)cc1 ZINC000004913869 462641225 /nfs/dbraw/zinc/64/12/25/462641225.db2.gz BAXQDTZIMDVXMY-UHFFFAOYSA-N 0 0 346.408 2.292 40 0 EEABRN CSc1nc2c(ncn2[C@H]2C=C[C@@H](OC(C)=O)CO2)c(Cl)n1 ZINC000004919466 462641484 /nfs/dbraw/zinc/64/14/84/462641484.db2.gz SIGRORQYHCPAQF-RKDXNWHRSA-N 0 0 340.792 2.218 40 0 EEABRN Cc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1C ZINC000005015389 462643819 /nfs/dbraw/zinc/64/38/19/462643819.db2.gz AXFCROGJKRFMIF-UHFFFAOYSA-N 0 0 341.411 2.014 40 0 EEABRN C[C@@H]1CN(c2ncc3c(=O)n(-c4cccc(F)c4)cc-3[nH]2)C[C@H](C)O1 ZINC000046087663 462645619 /nfs/dbraw/zinc/64/56/19/462645619.db2.gz GHDOPXRLPPXALW-TXEJJXNPSA-N 0 0 342.374 2.390 40 0 EEABRN Cc1ccc(CCNC(=O)c2cc(NC(=O)C(C)C)n(C)n2)cc1 ZINC000046089016 462647872 /nfs/dbraw/zinc/64/78/72/462647872.db2.gz MELVTGGRKVAHCX-UHFFFAOYSA-N 0 0 328.416 2.296 40 0 EEABRN CN(C)c1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000005251571 462651877 /nfs/dbraw/zinc/65/18/77/462651877.db2.gz DQJJUWORTDNGSF-UHFFFAOYSA-N 0 0 325.412 2.440 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000005251587 462652660 /nfs/dbraw/zinc/65/26/60/462652660.db2.gz IAYJDPORRYPGDB-UHFFFAOYSA-N 0 0 327.384 2.016 40 0 EEABRN CCOC(=O)CCN(Cc1ccccc1)[C@H](COC)C(=O)OCC ZINC000005574616 462663091 /nfs/dbraw/zinc/66/30/91/462663091.db2.gz KWYHYTRGVRWJPI-MRXNPFEDSA-N 0 0 337.416 2.020 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000006324886 462683343 /nfs/dbraw/zinc/68/33/43/462683343.db2.gz ZMYYYNITNUYCPX-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000006945171 462713725 /nfs/dbraw/zinc/71/37/25/462713725.db2.gz YJWFASZEJMKZRI-CYBMUJFWSA-N 0 0 326.462 2.374 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006946861 462714210 /nfs/dbraw/zinc/71/42/10/462714210.db2.gz NAVWIOQEFHZJLD-WDEREUQCSA-N 0 0 332.853 2.312 40 0 EEABRN COCCNC(=S)Nc1nc2ccc(C(=O)OC)cc2s1 ZINC000008206210 462773199 /nfs/dbraw/zinc/77/31/99/462773199.db2.gz KMQQCUNNMLABJF-UHFFFAOYSA-N 0 0 325.415 2.016 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000008268266 462776318 /nfs/dbraw/zinc/77/63/18/462776318.db2.gz JTKGZGIWUPQWPP-ZFWWWQNUSA-N 0 0 348.443 2.057 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)CNC(=O)COc2ccccc2C=O)n1 ZINC000065592314 462804990 /nfs/dbraw/zinc/80/49/90/462804990.db2.gz HBKLAEPIWYMHQZ-ZDUSSCGKSA-N 0 0 329.400 2.144 40 0 EEABRN C=Cn1ncc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1C ZINC000012121909 462843354 /nfs/dbraw/zinc/84/33/54/462843354.db2.gz CPEBFYQNGPAWKM-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN CCCCc1nc(Cl)c(CN2CCc3nc(C)[nH]c(=O)c3C2)[nH]1 ZINC000012116268 462843872 /nfs/dbraw/zinc/84/38/72/462843872.db2.gz DICDHVIVAYDQNU-UHFFFAOYSA-N 0 0 335.839 2.356 40 0 EEABRN COc1ccccc1CC(=O)N1CCC(O)(c2ccccn2)CC1 ZINC000012114481 462844216 /nfs/dbraw/zinc/84/42/16/462844216.db2.gz LBYNWOTXJQMROO-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN C[C@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccoc2)oc1=O ZINC000012154237 462845855 /nfs/dbraw/zinc/84/58/55/462845855.db2.gz QXAHDLLDPAMYFL-NSHDSACASA-N 0 0 325.324 2.074 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1 ZINC000012221757 462846631 /nfs/dbraw/zinc/84/66/31/462846631.db2.gz XLHCSCQFNPGTFK-MCPYQZEQSA-N 0 0 340.427 2.144 40 0 EEABRN O=C(Cn1ncn2c(cc3ccsc32)c1=O)NCc1cccs1 ZINC000012181582 462846720 /nfs/dbraw/zinc/84/67/20/462846720.db2.gz TZODEULMTMLLGB-UHFFFAOYSA-N 0 0 344.421 2.089 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)o1 ZINC000012182838 462847156 /nfs/dbraw/zinc/84/71/56/462847156.db2.gz FWNGTPCUKXUNGP-UHFFFAOYSA-N 0 0 344.415 2.090 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc(C3N=NC(=S)O3)cc2)CC1 ZINC000013534733 462894456 /nfs/dbraw/zinc/89/44/56/462894456.db2.gz COEWBLGJZOYNTQ-UHFFFAOYSA-N 0 0 339.442 2.446 40 0 EEABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(F)cc2)n1 ZINC000017070852 462995063 /nfs/dbraw/zinc/99/50/63/462995063.db2.gz BWXXZOWKFHTXEC-RMHZUWNSSA-N 0 0 337.354 2.382 40 0 EEABRN Cc1ncc(-c2ccncc2)c(CCNC(=O)Cc2ccccn2)n1 ZINC000019286940 463015536 /nfs/dbraw/zinc/01/55/36/463015536.db2.gz FNPBJXVWKHELTH-UHFFFAOYSA-N 0 0 333.395 2.143 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccncc2)C1 ZINC000095864954 463108268 /nfs/dbraw/zinc/10/82/68/463108268.db2.gz KOVNJSQFKBLESW-KGLIPLIRSA-N 0 0 335.404 2.196 40 0 EEABRN CN(C)c1cc(C(=O)Nc2ccccc2SCCC(N)=O)ccn1 ZINC000078717236 463142833 /nfs/dbraw/zinc/14/28/33/463142833.db2.gz QBVWUKRCUSYXFN-UHFFFAOYSA-N 0 0 344.440 2.367 40 0 EEABRN CC(C)COc1ccc(C2(C(=O)N3CC[C@H](C(N)=O)C3)CCC2)cc1 ZINC000078771874 463147633 /nfs/dbraw/zinc/14/76/33/463147633.db2.gz IZULEWKKOWBDOE-HNNXBMFYSA-N 0 0 344.455 2.477 40 0 EEABRN O=S1(=O)CC[C@@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000078774468 463147660 /nfs/dbraw/zinc/14/76/60/463147660.db2.gz BRKDSFQAUILRCN-ZCFIWIBFSA-N 0 0 349.231 2.463 40 0 EEABRN Cc1cc(C)n(-c2ccc(-c3noc(CCc4cnn(C)c4)n3)cn2)n1 ZINC000078774647 463148565 /nfs/dbraw/zinc/14/85/65/463148565.db2.gz NFXGRGFGZHRASQ-UHFFFAOYSA-N 0 0 349.398 2.453 40 0 EEABRN CCOC[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096044841 463148874 /nfs/dbraw/zinc/14/88/74/463148874.db2.gz IWMJKMNQCKSJJP-CYBMUJFWSA-N 0 0 347.390 2.101 40 0 EEABRN c1csc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048342 463152377 /nfs/dbraw/zinc/15/23/77/463152377.db2.gz IIUIXBJWAOMLND-CZUORRHYSA-N 0 0 331.445 2.169 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096049121 463153620 /nfs/dbraw/zinc/15/36/20/463153620.db2.gz XCHGFUBCKIEMRN-LJQANCHMSA-N 0 0 341.411 2.182 40 0 EEABRN C[C@]1(C(=O)OCCCn2nc3ccccn3c2=O)CC1(Cl)Cl ZINC000078823847 463154148 /nfs/dbraw/zinc/15/41/48/463154148.db2.gz GKGODKCQCNEYBU-CYBMUJFWSA-N 0 0 344.198 2.013 40 0 EEABRN CCn1cc2c(n1)CN(Cc1cnn(C)c1)C[C@@H]2COCC1CC1 ZINC000096060422 463159557 /nfs/dbraw/zinc/15/95/57/463159557.db2.gz WIUAJLOMIQFNHS-MRXNPFEDSA-N 0 0 329.448 2.163 40 0 EEABRN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)nc1 ZINC000096058016 463159593 /nfs/dbraw/zinc/15/95/93/463159593.db2.gz JYVQQCGECLUEFO-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CCN(c2ccccc2)C1=O ZINC000078915043 463167008 /nfs/dbraw/zinc/16/70/08/463167008.db2.gz PRIVNHOQZOPWHG-INIZCTEOSA-N 0 0 334.379 2.440 40 0 EEABRN COc1ccccc1C(=O)Nc1c(C)nc(N2CCOCC2)nc1C ZINC000096098577 463172168 /nfs/dbraw/zinc/17/21/68/463172168.db2.gz SSPXWRZQABZBPE-UHFFFAOYSA-N 0 0 342.399 2.191 40 0 EEABRN CC(C)c1cc(C(=O)Nc2nccs2)nc(N2CCOCC2)n1 ZINC000096100976 463172741 /nfs/dbraw/zinc/17/27/41/463172741.db2.gz RPTKSALKMPQOGG-UHFFFAOYSA-N 0 0 333.417 2.145 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096107682 463175263 /nfs/dbraw/zinc/17/52/63/463175263.db2.gz ZLHDCNOFTFHLRI-KSSFIOAISA-N 0 0 346.358 2.195 40 0 EEABRN Cc1cccnc1CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000079001416 463176775 /nfs/dbraw/zinc/17/67/75/463176775.db2.gz KJYFULWDDIWOTN-JKSUJKDBSA-N 0 0 329.444 2.435 40 0 EEABRN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112233 463179267 /nfs/dbraw/zinc/17/92/67/463179267.db2.gz OTWCIWAXZDYGBI-DOMZBBRYSA-N 0 0 347.369 2.175 40 0 biogenic,in-vitro EEABRN O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1cccnc1 ZINC000096112863 463179914 /nfs/dbraw/zinc/17/99/14/463179914.db2.gz MSQQCVWSAHZGIQ-INIZCTEOSA-N 0 0 334.379 2.274 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)CCCNC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000079028796 463180507 /nfs/dbraw/zinc/18/05/07/463180507.db2.gz MHCRVGTXALCKNO-UHFFFAOYSA-N 0 0 342.314 2.401 40 0 EEABRN O=C(c1ccsc1)N1CCOC2(CCN(c3ncccn3)CC2)C1 ZINC000096158917 463191361 /nfs/dbraw/zinc/19/13/61/463191361.db2.gz ADIUALYMXHSCFZ-UHFFFAOYSA-N 0 0 344.440 2.050 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096184000 463195735 /nfs/dbraw/zinc/19/57/35/463195735.db2.gz QGTFLLZSRVOHFM-MSOLQXFVSA-N 0 0 335.407 2.026 40 0 EEABRN COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cc(C)nn2C)C1 ZINC000096193059 463201803 /nfs/dbraw/zinc/20/18/03/463201803.db2.gz KYVDQXWWPIEZLD-QGZVFWFLSA-N 0 0 328.372 2.259 40 0 EEABRN COC[C@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197928 463203077 /nfs/dbraw/zinc/20/30/77/463203077.db2.gz JOLVQKFRXZXPCK-OAHLLOKOSA-N 0 0 340.427 2.003 40 0 EEABRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccn[nH]1 ZINC000079309612 463205421 /nfs/dbraw/zinc/20/54/21/463205421.db2.gz SRTURQGBGSQWHF-JTQLQIEISA-N 0 0 340.305 2.317 40 0 EEABRN O=C(c1cccs1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199949 463205672 /nfs/dbraw/zinc/20/56/72/463205672.db2.gz FBJCJCWJURODSX-AWEZNQCLSA-N 0 0 341.436 2.422 40 0 EEABRN Cc1nc(CN2CCC3(CN(C(=O)c4conc4C)C3)C2)cs1 ZINC000096202539 463208785 /nfs/dbraw/zinc/20/87/85/463208785.db2.gz LFGRDCDYGREOJX-UHFFFAOYSA-N 0 0 332.429 2.096 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC[C@H](OC)[C@H]3OCC[C@@H]32)cc1 ZINC000096218163 463215007 /nfs/dbraw/zinc/21/50/07/463215007.db2.gz OCXCCGBWVRQKOR-LNLFQRSKSA-N 0 0 333.428 2.423 40 0 EEABRN Cc1cccc(CN2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226463 463220451 /nfs/dbraw/zinc/22/04/51/463220451.db2.gz NFKGFGPLYSZVQO-IBGZPJMESA-N 0 0 339.443 2.051 40 0 EEABRN Cn1cncc1CN1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226275 463220614 /nfs/dbraw/zinc/22/06/14/463220614.db2.gz OSFDVEUFJJYHNF-IBGZPJMESA-N 0 0 344.434 2.431 40 0 EEABRN Fc1cccnc1N1CCOC[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096229068 463222329 /nfs/dbraw/zinc/22/23/29/463222329.db2.gz OFMTYLCLMZUONL-MRXNPFEDSA-N 0 0 349.435 2.196 40 0 EEABRN CN(C)c1ccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 ZINC000096229731 463223913 /nfs/dbraw/zinc/22/39/13/463223913.db2.gz TYXNFBCKKONOPZ-LJQANCHMSA-N 0 0 329.444 2.370 40 0 EEABRN CCc1cnc(N2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)nc1 ZINC000096261226 463230768 /nfs/dbraw/zinc/23/07/68/463230768.db2.gz LAHRABJVSNAJNQ-INIZCTEOSA-N 0 0 337.427 2.077 40 0 EEABRN CC(=O)NCCNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000136315749 463235433 /nfs/dbraw/zinc/23/54/33/463235433.db2.gz KAULZLFKQLWYFI-UHFFFAOYSA-N 0 0 330.215 2.197 40 0 EEABRN Cn1nnc2cc(C(=O)NCc3ccccc3-n3cccn3)ccc21 ZINC000096404082 463238104 /nfs/dbraw/zinc/23/81/04/463238104.db2.gz DBOBXGUXILDQIB-UHFFFAOYSA-N 0 0 332.367 2.084 40 0 EEABRN O=C(CN1CCC[C@@H](COc2ccccc2)C1)NCc1cccnc1 ZINC000096411343 463243487 /nfs/dbraw/zinc/24/34/87/463243487.db2.gz XZCCTHPPVQOXIQ-GOSISDBHSA-N 0 0 339.439 2.489 40 0 EEABRN CC(C)(C)/C=C/C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000096412578 463245279 /nfs/dbraw/zinc/24/52/79/463245279.db2.gz UKBDICFCSZHIPJ-VFADXPBXSA-N 0 0 336.457 2.200 40 0 EEABRN Cc1ccc(F)cc1S(=O)(=O)Oc1ccc(-n2cncn2)cc1 ZINC000096415034 463248363 /nfs/dbraw/zinc/24/83/63/463248363.db2.gz UXYWTPLJIKZJDC-UHFFFAOYSA-N 0 0 333.344 2.483 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000096423402 463254190 /nfs/dbraw/zinc/25/41/90/463254190.db2.gz PXIUAAMFFHFQSJ-CVEARBPZSA-N 0 0 344.459 2.157 40 0 EEABRN Nc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCCO2)cc1Cl ZINC000096427815 463256612 /nfs/dbraw/zinc/25/66/12/463256612.db2.gz RCVXKDJZDHCOGM-MRVPVSSYSA-N 0 0 339.244 2.423 40 0 EEABRN CCc1noc(COc2ccc(NC(=O)c3cnn(C)c3)cc2)n1 ZINC000096428906 463259108 /nfs/dbraw/zinc/25/91/08/463259108.db2.gz ATABAFOZPKIBBJ-UHFFFAOYSA-N 0 0 327.344 2.197 40 0 EEABRN O=c1[nH]ccnc1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000096429509 463259428 /nfs/dbraw/zinc/25/94/28/463259428.db2.gz HTYUDLMGEFBQCF-SNVBAGLBSA-N 0 0 340.305 2.359 40 0 EEABRN COC1CCC(N(C)C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000096431080 463259903 /nfs/dbraw/zinc/25/99/03/463259903.db2.gz MBVMJICAZDLCRI-UHFFFAOYSA-N 0 0 343.427 2.314 40 0 EEABRN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccccc2)CO1 ZINC000096433369 463262486 /nfs/dbraw/zinc/26/24/86/463262486.db2.gz FCUFRCYUHWOKBL-HIFRSBDPSA-N 0 0 344.436 2.467 40 0 EEABRN CCn1cnnc1CNC(=O)Nc1ccc(F)cc1OC(F)F ZINC000096435457 463263780 /nfs/dbraw/zinc/26/37/80/463263780.db2.gz DOFDAEVFXQFSAQ-UHFFFAOYSA-N 0 0 329.282 2.360 40 0 EEABRN CC[C@@H](C(=O)N1CCC(Nc2cccc(C)n2)CC1)N1CCCC1=O ZINC000096436591 463265178 /nfs/dbraw/zinc/26/51/78/463265178.db2.gz KFWRLYZAVOLITK-INIZCTEOSA-N 0 0 344.459 2.194 40 0 EEABRN Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000096449769 463271886 /nfs/dbraw/zinc/27/18/86/463271886.db2.gz JKNMJQHVQUTMBY-RKNYENMMSA-N 0 0 344.436 2.489 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCc2ccccc21 ZINC000096473351 463278594 /nfs/dbraw/zinc/27/85/94/463278594.db2.gz UHYBMKNIGUMEHK-HUUCEWRRSA-N 0 0 341.415 2.246 40 0 EEABRN COC(=O)[C@H]1CN(Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000096470160 463278937 /nfs/dbraw/zinc/27/89/37/463278937.db2.gz FCUXPFWWXAKBGJ-LDYMZIIASA-N 0 0 334.235 2.273 40 0 EEABRN O=C(CSCc1ccco1)Nc1cc(-n2cnnn2)ccc1F ZINC000096471872 463279200 /nfs/dbraw/zinc/27/92/00/463279200.db2.gz YFUFDUZWFFJYQR-UHFFFAOYSA-N 0 0 333.348 2.266 40 0 EEABRN CC[C@H](C)OCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096485692 463284095 /nfs/dbraw/zinc/28/40/95/463284095.db2.gz GLGCUQFZHUJLRF-AWEZNQCLSA-N 0 0 330.432 2.022 40 0 EEABRN Cc1c(CNC(=O)Nc2cccnc2OCC(F)F)cnn1C ZINC000096487569 463285102 /nfs/dbraw/zinc/28/51/02/463285102.db2.gz OCNAFGNCAGOFHK-UHFFFAOYSA-N 0 0 325.319 2.089 40 0 EEABRN Cc1cc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)c[nH]c1=O ZINC000096494156 463287879 /nfs/dbraw/zinc/28/78/79/463287879.db2.gz LYSSNKIHBGLNQP-MRXNPFEDSA-N 0 0 327.384 2.159 40 0 EEABRN CC[C@H](C)Oc1cc(C(=O)NCc2nnc3ccccn32)ccn1 ZINC000096494933 463289263 /nfs/dbraw/zinc/28/92/63/463289263.db2.gz NBCXSLZMQYXXPZ-LBPRGKRZSA-N 0 0 325.372 2.232 40 0 EEABRN C[C@@H]1COCCN1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000096502297 463293083 /nfs/dbraw/zinc/29/30/83/463293083.db2.gz JUCBBZRKIGGERY-GFCCVEGCSA-N 0 0 348.378 2.239 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCCc1cc(F)cc(F)c1 ZINC000097095058 463321104 /nfs/dbraw/zinc/32/11/04/463321104.db2.gz PREJCIQHGQOWKY-WBMJQRKESA-N 0 0 342.386 2.079 40 0 EEABRN COc1cccc([C@@H](C)N2CCN(CCc3nnc(N)s3)CC2)c1 ZINC000097373527 463355801 /nfs/dbraw/zinc/35/58/01/463355801.db2.gz ZDWXCJBJTPMUMD-CYBMUJFWSA-N 0 0 347.488 2.050 40 0 EEABRN COc1cccc(Cl)c1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000097378373 463357168 /nfs/dbraw/zinc/35/71/68/463357168.db2.gz AVSASQPIGZHLIA-UHFFFAOYSA-N 0 0 340.851 2.118 40 0 EEABRN CN1CC[C@H](Nc2cccc(CS(=O)(=O)c3ccccc3)c2)C1=O ZINC000081158263 463400238 /nfs/dbraw/zinc/40/02/38/463400238.db2.gz CYDQJMUSQZCZAI-KRWDZBQOSA-N 0 0 344.436 2.303 40 0 EEABRN CCOc1ccc([C@H]2C=C(N)Oc3nc(COC)[nH]c32)cc1OC ZINC000104672735 463418235 /nfs/dbraw/zinc/41/82/35/463418235.db2.gz QWQVSQZUOVAAAU-LLVKDONJSA-N 0 0 331.372 2.288 40 0 EEABRN CCOc1ccc([C@@H]2C=C(N)Oc3nc(COC)[nH]c32)cc1OC ZINC000104672731 463418245 /nfs/dbraw/zinc/41/82/45/463418245.db2.gz QWQVSQZUOVAAAU-NSHDSACASA-N 0 0 331.372 2.288 40 0 EEABRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2sccc2Br)CC1=O ZINC000081374748 463428276 /nfs/dbraw/zinc/42/82/76/463428276.db2.gz FLMLOHAQWZDIQP-MRTMQBJTSA-N 0 0 343.246 2.250 40 0 EEABRN COc1cccc(-c2csc(CN3CCN(C(C)=O)CC3)n2)c1 ZINC000038488166 463447171 /nfs/dbraw/zinc/44/71/71/463447171.db2.gz GJBUSDZBBMTIMC-UHFFFAOYSA-N 0 0 331.441 2.483 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000040462524 463455160 /nfs/dbraw/zinc/45/51/60/463455160.db2.gz VDOMEODHOKFKMH-OAHLLOKOSA-N 0 0 341.367 2.481 40 0 EEABRN C[C@H]1CCCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000040640118 463463156 /nfs/dbraw/zinc/46/31/56/463463156.db2.gz LAECORUWKDHWOR-AWEZNQCLSA-N 0 0 336.457 2.489 40 0 EEABRN Cc1nnsc1C(=O)N1CCC(c2nc(CC(C)C)no2)CC1 ZINC000040714717 463464164 /nfs/dbraw/zinc/46/41/64/463464164.db2.gz XVOHLPRDEOYKNO-UHFFFAOYSA-N 0 0 335.433 2.448 40 0 EEABRN CCc1ccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000057318894 463477561 /nfs/dbraw/zinc/47/75/61/463477561.db2.gz JAPXEBHBLPKUQW-RHSMWYFYSA-N 0 0 332.444 2.252 40 0 EEABRN CC(C)CCN(CCC(C)C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000057526823 463498457 /nfs/dbraw/zinc/49/84/57/463498457.db2.gz UCIVOORQNUZJTH-UHFFFAOYSA-N 0 0 347.463 2.051 40 0 EEABRN Cc1nc(C2(NS(=O)(=O)c3ccc(F)cc3F)CCCC2)no1 ZINC000041629020 463499340 /nfs/dbraw/zinc/49/93/40/463499340.db2.gz CVEQVORNXSQBPT-UHFFFAOYSA-N 0 0 343.355 2.404 40 0 EEABRN C[C@H]([C@H](C)N(C)Cc1nnc(-c2ccc(F)cc2)o1)S(C)(=O)=O ZINC000072633289 463527484 /nfs/dbraw/zinc/52/74/84/463527484.db2.gz TWLMMNWGNMIUPX-WDEREUQCSA-N 0 0 341.408 2.129 40 0 EEABRN CCCS(=O)(=O)Nc1ccc(I)cc1 ZINC000042205296 463550883 /nfs/dbraw/zinc/55/08/83/463550883.db2.gz RMUIGFVEXGQLDQ-UHFFFAOYSA-N 0 0 325.171 2.443 40 0 EEABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(-c3ccccc3)n1)CS2 ZINC000043054642 463615349 /nfs/dbraw/zinc/61/53/49/463615349.db2.gz WEWSXGPOEDFRLO-CXAGYDPISA-N 0 0 342.424 2.265 40 0 EEABRN C[C@@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)c1cccnc1 ZINC000043786072 463656913 /nfs/dbraw/zinc/65/69/13/463656913.db2.gz BSGJDFSPHVPWML-CYBMUJFWSA-N 0 0 342.399 2.431 40 0 EEABRN CCCn1nccc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000073941769 463672138 /nfs/dbraw/zinc/67/21/38/463672138.db2.gz NPGSICYXIXMKKD-UHFFFAOYSA-N 0 0 341.346 2.230 40 0 EEABRN O=C(/C=C/c1ccc(-c2ccccc2F)o1)N[C@@H]1CCS(=O)(=O)C1 ZINC000044873807 463697460 /nfs/dbraw/zinc/69/74/60/463697460.db2.gz DRCGGDDECNMDDA-WAFBPQNNSA-N 0 0 349.383 2.402 40 0 EEABRN O=C(Cn1ncc(=O)c2ccccc21)N1CCc2sccc2C1 ZINC000044894709 463699162 /nfs/dbraw/zinc/69/91/62/463699162.db2.gz AXOAPLYRYWLENP-UHFFFAOYSA-N 0 0 325.393 2.043 40 0 EEABRN C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1c([O-])cccc1F ZINC000184968828 463728025 /nfs/dbraw/zinc/72/80/25/463728025.db2.gz OGYYUFQQLXUJMP-UHFFFAOYSA-N 0 0 332.375 2.441 40 0 EEABRN O=C(c1cscn1)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257215728 463756376 /nfs/dbraw/zinc/75/63/76/463756376.db2.gz CRJIAAHUEKGPHA-GFCCVEGCSA-N 0 0 329.385 2.259 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)[C@@H](c2ccccc2)C1 ZINC000257228617 463756831 /nfs/dbraw/zinc/75/68/31/463756831.db2.gz FUOWDDWYHKDFCS-GOSISDBHSA-N 0 0 341.411 2.266 40 0 EEABRN COCCN1C(=O)C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1CCC[C@@H]2O ZINC000257264553 463758710 /nfs/dbraw/zinc/75/87/10/463758710.db2.gz LUZLLRLECCLJFK-VXIBKDFQSA-N 0 0 333.428 2.187 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C(C)=O)cc1 ZINC000257288928 463763243 /nfs/dbraw/zinc/76/32/43/463763243.db2.gz PWGWHBQTZLAGBF-SFHVURJKSA-N 0 0 339.395 2.136 40 0 EEABRN CNc1nc(C2CCN(C(=O)c3cccnc3)CC2)cn2nccc12 ZINC000257292408 463764320 /nfs/dbraw/zinc/76/43/20/463764320.db2.gz QLHNKZVDVOFZTP-UHFFFAOYSA-N 0 0 336.399 2.186 40 0 EEABRN COc1ccc(OCC(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257292868 463766178 /nfs/dbraw/zinc/76/61/78/463766178.db2.gz QNGQCXCTHCEJKU-AWEZNQCLSA-N 0 0 329.400 2.278 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257295671 463767867 /nfs/dbraw/zinc/76/78/67/463767867.db2.gz QZJPURJWHLZBGB-QGZVFWFLSA-N 0 0 329.375 2.018 40 0 EEABRN CO[C@@H]1CCCOC12CCN(C(=O)COc1cccc(F)c1)CC2 ZINC000257312876 463773267 /nfs/dbraw/zinc/77/32/67/463773267.db2.gz UPZIIOSVFYTDLI-MRXNPFEDSA-N 0 0 337.391 2.391 40 0 EEABRN c1ccc(N2CCN(Cc3ccnc([C@H]4CCCO4)n3)CC2)nc1 ZINC000257317870 463774391 /nfs/dbraw/zinc/77/43/91/463774391.db2.gz VLNSNBMTMWDEEU-MRXNPFEDSA-N 0 0 325.416 2.045 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3ocnc3C)CC2)cn1 ZINC000257318376 463777031 /nfs/dbraw/zinc/77/70/31/463777031.db2.gz VNQGWKMICWTJJR-ZDUSSCGKSA-N 0 0 329.404 2.300 40 0 EEABRN Cc1ccn(CCC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000257328157 463779442 /nfs/dbraw/zinc/77/94/42/463779442.db2.gz XEKQSNHHALRTIS-INIZCTEOSA-N 0 0 327.432 2.104 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2nccc(C)n2)C1 ZINC000257341282 463785947 /nfs/dbraw/zinc/78/59/47/463785947.db2.gz ZJQYZSCBHQYURE-QGZVFWFLSA-N 0 0 341.411 2.245 40 0 EEABRN C[C@@H](N1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1)C(F)(F)F ZINC000178279164 463873904 /nfs/dbraw/zinc/87/39/04/463873904.db2.gz GJHCZVKSZWNANG-UONOGXRCSA-N 0 0 335.414 2.202 40 0 EEABRN Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000185846392 463888930 /nfs/dbraw/zinc/88/89/30/463888930.db2.gz DYHIXPORJPEXSY-CYBMUJFWSA-N 0 0 342.403 2.441 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c(=O)c1 ZINC000194823839 463936754 /nfs/dbraw/zinc/93/67/54/463936754.db2.gz INTDFDSHLQYQAC-KRWDZBQOSA-N 0 0 338.407 2.421 40 0 EEABRN COc1ccc(S(=O)(=O)Cc2nnc(-c3ccccc3)n2C)cc1 ZINC000195003876 463975524 /nfs/dbraw/zinc/97/55/24/463975524.db2.gz UBBMPVGGHPFHNP-UHFFFAOYSA-N 0 0 343.408 2.465 40 0 EEABRN CN(C)[C@@H](CNC(=O)Nc1nc2c(s1)COCC2)c1ccco1 ZINC000172255791 464031863 /nfs/dbraw/zinc/03/18/63/464031863.db2.gz HQISZLICEXFQEY-NSHDSACASA-N 0 0 336.417 2.233 40 0 EEABRN O=C(NC[C@H]1CC[C@H](O)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000195578257 464079753 /nfs/dbraw/zinc/07/97/53/464079753.db2.gz NUBICWYVZPPSCM-YOEHRIQHSA-N 0 0 349.450 2.250 40 0 EEABRN CS(=O)(=O)[C@@H](Cc1ccccc1)c1nc(-c2ccncc2)no1 ZINC000195576335 464079805 /nfs/dbraw/zinc/07/98/05/464079805.db2.gz YSOTZLGBVYGKRS-AWEZNQCLSA-N 0 0 329.381 2.460 40 0 EEABRN CCc1nc(CNc2ccc(S(=O)(=O)NC)cc2F)cs1 ZINC000195575260 464080149 /nfs/dbraw/zinc/08/01/49/464080149.db2.gz MQCRMLWABWBIIJ-UHFFFAOYSA-N 0 0 329.422 2.365 40 0 EEABRN Cn1cnc(CNC(=O)NCC2(c3ccc(F)cc3F)CCCC2)n1 ZINC000187038185 464093078 /nfs/dbraw/zinc/09/30/78/464093078.db2.gz JJJWJBDJDUJGFQ-UHFFFAOYSA-N 0 0 349.385 2.405 40 0 EEABRN COc1ccccc1NC(=O)NCc1ccnc(N2CCCC2)n1 ZINC000224201440 464149832 /nfs/dbraw/zinc/14/98/32/464149832.db2.gz SSTPBRFWVGWGMY-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN Cc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1C ZINC000224251609 464150305 /nfs/dbraw/zinc/15/03/05/464150305.db2.gz ANARKZVOPNAVRA-UHFFFAOYSA-N 0 0 325.416 2.098 40 0 EEABRN O=C(c1ccsc1)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000225486645 464164759 /nfs/dbraw/zinc/16/47/59/464164759.db2.gz SPYUOMNFGYOJQN-JTQLQIEISA-N 0 0 346.334 2.116 40 0 EEABRN C[C@@H]1CN(C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000225547138 464170614 /nfs/dbraw/zinc/17/06/14/464170614.db2.gz GFZVOUANMSPHAY-GHMZBOCLSA-N 0 0 326.359 2.241 40 0 EEABRN Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225672935 464179024 /nfs/dbraw/zinc/17/90/24/464179024.db2.gz YAFQJIPZMLBZMC-UHFFFAOYSA-N 0 0 348.449 2.387 40 0 EEABRN O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1ccco1 ZINC000225793871 464182348 /nfs/dbraw/zinc/18/23/48/464182348.db2.gz SJWPONTVIZBTJF-UHFFFAOYSA-N 0 0 326.400 2.347 40 0 EEABRN Cc1cc(N2CC[C@@H](Sc3nnc(C4CC4)s3)C2=O)n(C)n1 ZINC000173945317 464336305 /nfs/dbraw/zinc/33/63/05/464336305.db2.gz GIIDOCSWZBKNKQ-SNVBAGLBSA-N 0 0 335.458 2.355 40 0 EEABRN COC(=O)c1c[nH]c(=O)c(NC(=O)CCc2cccc(N(C)C)c2)c1 ZINC000239882022 464445084 /nfs/dbraw/zinc/44/50/84/464445084.db2.gz CZWFRIIKIYWQFY-UHFFFAOYSA-N 0 0 343.383 2.211 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN(c2nccs2)CC1 ZINC000242164654 464456366 /nfs/dbraw/zinc/45/63/66/464456366.db2.gz WWTNAOAFBZDTRG-ILXRZTDVSA-N 0 0 336.505 2.349 40 0 EEABRN Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1ccncc1)C2 ZINC000247512211 464688020 /nfs/dbraw/zinc/68/80/20/464688020.db2.gz ITWVWHPMEQLCQZ-HNNXBMFYSA-N 0 0 329.375 2.286 40 0 EEABRN O=C(c1cnccn1)N1CC2(C1)C[C@@H](OCC1CCCC1)CS2 ZINC000247885375 464712406 /nfs/dbraw/zinc/71/24/06/464712406.db2.gz WXZMAIKNXTUVBR-CQSZACIVSA-N 0 0 333.457 2.384 40 0 EEABRN CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190769267 464718619 /nfs/dbraw/zinc/71/86/19/464718619.db2.gz VNRAYEFEVGCICP-MRXNPFEDSA-N 0 0 340.427 2.465 40 0 EEABRN COc1ccc(NC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191207017 464798332 /nfs/dbraw/zinc/79/83/32/464798332.db2.gz BZCYMVHPLUBIGZ-MRXNPFEDSA-N 0 0 346.456 2.157 40 0 EEABRN C[C@@H]1CCN(Cc2c(C3CC3)nc3sccn23)CCS1(=O)=O ZINC000192051373 464856681 /nfs/dbraw/zinc/85/66/81/464856681.db2.gz RXESAWZHAKKRAY-LLVKDONJSA-N 0 0 339.486 2.282 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@H](C)Cn2c3ccccc3oc2=O)CC1 ZINC000249701223 464904751 /nfs/dbraw/zinc/90/47/51/464904751.db2.gz YGZOLJUYUSMTAN-MGPQQGTHSA-N 0 0 332.400 2.304 40 0 EEABRN CC(=O)c1ccc(N2CCC[C@H]2c2ccco2)c(S(N)(=O)=O)c1 ZINC000252506952 464973901 /nfs/dbraw/zinc/97/39/01/464973901.db2.gz WDOCVGAFVMGMIT-ZDUSSCGKSA-N 0 0 334.397 2.471 40 0 EEABRN CCS(=O)(=O)c1ccccc1NC[C@H](C)N1CCOC[C@H]1C ZINC000252587521 464983746 /nfs/dbraw/zinc/98/37/46/464983746.db2.gz YXGBXWQJNYMMHI-UONOGXRCSA-N 0 0 326.462 2.001 40 0 EEABRN CC(C)[C@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1nnc2n1CCC2 ZINC000252581662 464984073 /nfs/dbraw/zinc/98/40/73/464984073.db2.gz JYHAJWRYGCGVCY-BZPMIXESSA-N 0 0 337.493 2.457 40 0 EEABRN C[C@H](C[S@@](C)=O)N(C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192776533 464994374 /nfs/dbraw/zinc/99/43/74/464994374.db2.gz GPSHNAMNXXLFIK-AVKZDSLQSA-N 0 0 326.437 2.020 40 0 EEABRN CCOC[C@@H]1CCOC12CN(C(=O)COc1cccc(Cl)c1)C2 ZINC000253381048 464996707 /nfs/dbraw/zinc/99/67/07/464996707.db2.gz CMXFPSWQBYJDCS-ZDUSSCGKSA-N 0 0 339.819 2.373 40 0 EEABRN COC1(CNS(=O)(=O)Cc2cccc(C)c2)CCSCC1 ZINC000253394642 464999163 /nfs/dbraw/zinc/99/91/63/464999163.db2.gz GJTGQDWXEYTZIC-UHFFFAOYSA-N 0 0 329.487 2.327 40 0 EEABRN O=C(Cn1cn[nH]c1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000184624597 465010316 /nfs/dbraw/zinc/01/03/16/465010316.db2.gz JFHIKSFHHZUQER-SFHVURJKSA-N 0 0 348.362 2.223 40 0 EEABRN Cc1cc(N2CC[C@@H](NC(=O)C3CC3)C2=O)ccc1Br ZINC000184628761 465011595 /nfs/dbraw/zinc/01/15/95/465011595.db2.gz DRDVLQALHYXKME-CYBMUJFWSA-N 0 0 337.217 2.389 40 0 EEABRN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000253427675 465011658 /nfs/dbraw/zinc/01/16/58/465011658.db2.gz DFFKEEYMTNORPS-AWEZNQCLSA-N 0 0 329.787 2.380 40 0 EEABRN CO[C@]1(C)CCCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000253428939 465012383 /nfs/dbraw/zinc/01/23/83/465012383.db2.gz OAULVZYBDCKRKW-GOSISDBHSA-N 0 0 343.431 2.368 40 0 EEABRN COc1ccc(CCNC(=O)N2CCn3nc4c(c3C2)CCC4)cc1 ZINC000253472090 465015026 /nfs/dbraw/zinc/01/50/26/465015026.db2.gz IZAZYLMAYPLCSJ-UHFFFAOYSA-N 0 0 340.427 2.148 40 0 EEABRN CCC(=O)c1ccc(NCc2c(C)noc2C)c(S(N)(=O)=O)c1 ZINC000253433168 465015333 /nfs/dbraw/zinc/01/53/33/465015333.db2.gz STGHYBDKTOQOTQ-UHFFFAOYSA-N 0 0 337.401 2.144 40 0 EEABRN Cc1ccoc1C(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1 ZINC000253478098 465016251 /nfs/dbraw/zinc/01/62/51/465016251.db2.gz JDILYWQCQJFJHA-HNNXBMFYSA-N 0 0 338.367 2.456 40 0 EEABRN Cc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1 ZINC000254430386 465019458 /nfs/dbraw/zinc/01/94/58/465019458.db2.gz SZXQEWJORWRQAO-CINZJOAMSA-N 0 0 325.430 2.415 40 0 EEABRN CC(C)(C)n1cnc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000329957587 465487034 /nfs/dbraw/zinc/48/70/34/465487034.db2.gz MBPXNNMTIFIFAH-SFHVURJKSA-N 0 0 341.415 2.696 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000306134910 466491878 /nfs/dbraw/zinc/49/18/78/466491878.db2.gz OBJCHEFYMOEXFG-OAHLLOKOSA-N 0 0 330.388 2.193 40 0 EEABRN CCN(C)C(=O)c1nc([C@@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306134972 466492044 /nfs/dbraw/zinc/49/20/44/466492044.db2.gz ODLKQZWPOIITNY-AWEZNQCLSA-N 0 0 343.431 2.245 40 0 EEABRN O=C(C1CCC1)N1C[C@@]2(F)C(=O)N(Cc3ccccc3)C[C@@]2(F)C1 ZINC000306142149 466494571 /nfs/dbraw/zinc/49/45/71/466494571.db2.gz WRLUNOQYIGLQLN-QZTJIDSGSA-N 0 0 334.366 2.088 40 0 EEABRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@@H](C)C3CCOCC3)n2)c1 ZINC000333014851 466601161 /nfs/dbraw/zinc/60/11/61/466601161.db2.gz QUESTEWNGQPFNX-QWHCGFSZSA-N 0 0 343.431 2.415 40 0 EEABRN CCOc1ccc(N([C@@H](C)C(=O)N(CC)CC)S(C)(=O)=O)cc1 ZINC000408922502 466684130 /nfs/dbraw/zinc/68/41/30/466684130.db2.gz BKGKOCOMWFDEDY-ZDUSSCGKSA-N 0 0 342.461 2.108 40 0 EEABRN CCCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 ZINC000409095404 466685342 /nfs/dbraw/zinc/68/53/42/466685342.db2.gz CISWQBKYBFYLAO-UHFFFAOYSA-N 0 0 346.456 2.306 40 0 EEABRN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)Nc2cc[nH]n2)c1 ZINC000424622862 467078150 /nfs/dbraw/zinc/07/81/50/467078150.db2.gz YRTMCTHGRRICFR-UHFFFAOYSA-N 0 0 347.268 2.950 40 0 EEABRN O=C(c1ccc(F)c(F)c1F)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390828905 467412493 /nfs/dbraw/zinc/41/24/93/467412493.db2.gz VHQNYOXYOSVKTH-SECBINFHSA-N 0 0 341.264 2.327 40 0 EEABRN O=C(CC1CC1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575403302 468140652 /nfs/dbraw/zinc/14/06/52/468140652.db2.gz HQJYWYQZSGUHRU-BZSNNMDCSA-N 0 0 330.428 2.262 40 0 EEABRN O=S(=O)(c1cncc(F)c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC000585091946 468962558 /nfs/dbraw/zinc/96/25/58/468962558.db2.gz SQONUUROKLIJQF-HNNXBMFYSA-N 0 0 340.351 2.122 40 0 EEABRN Cc1cccc(C(=O)N2CCn3cc(C(=O)N(C)C)nc3[C@@H]2C)c1 ZINC000585096289 468964455 /nfs/dbraw/zinc/96/44/55/468964455.db2.gz FVEUAJQTCKNRMA-ZDUSSCGKSA-N 0 0 326.400 2.110 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)c2cc(C)oc2C)C1 ZINC000585099184 468967470 /nfs/dbraw/zinc/96/74/70/468967470.db2.gz RQTHYYKXXWQIHI-CQSZACIVSA-N 0 0 329.400 2.106 40 0 EEABRN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)c1csnn1)CC2 ZINC000585110379 468974080 /nfs/dbraw/zinc/97/40/80/468974080.db2.gz MSGWSJUOIFVJPL-UHFFFAOYSA-N 0 0 339.424 2.478 40 0 EEABRN COCCOc1cccc(C(=O)N2CCC[C@H]2c2ncccn2)c1 ZINC000585140524 468989317 /nfs/dbraw/zinc/98/93/17/468989317.db2.gz GULKHTIJPNIDPQ-INIZCTEOSA-N 0 0 327.384 2.479 40 0 EEABRN COC(=O)c1ncoc1COCC(=O)NCC1(C)CCCCCC1 ZINC000585141379 468990426 /nfs/dbraw/zinc/99/04/26/468990426.db2.gz UYYJBIQKNRGICS-UHFFFAOYSA-N 0 0 338.404 2.455 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ncccc3C)C2)c1 ZINC000585269529 468997564 /nfs/dbraw/zinc/99/75/64/468997564.db2.gz YAWOTOJMSQZKJB-FQEVSTJZSA-N 0 0 342.439 2.341 40 0 EEABRN O=C(Cn1ccc(C2CC2)n1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585280181 469006349 /nfs/dbraw/zinc/00/63/49/469006349.db2.gz BZVATZIWRHUEKF-IEBWSBKVSA-N 0 0 339.439 2.213 40 0 EEABRN CC(=O)N1CCC[C@H](NC(=O)c2ccon2)[C@@H]1Cc1cccc(F)c1 ZINC000585280996 469007589 /nfs/dbraw/zinc/00/75/89/469007589.db2.gz RJFCVLUMMCKAQZ-RDJZCZTQSA-N 0 0 345.374 2.166 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3nccn3C)[C@H]2O)cc1 ZINC000585285182 469007622 /nfs/dbraw/zinc/00/76/22/469007622.db2.gz NAVLOBKPWCAWLU-DJIMGWMZSA-N 0 0 343.427 2.067 40 0 EEABRN COc1ccccc1CNC(=O)CC[C@@]1(OC)CCCN(C(C)=O)C1 ZINC000585280409 469007696 /nfs/dbraw/zinc/00/76/96/469007696.db2.gz HWTORDFZMODQAB-IBGZPJMESA-N 0 0 348.443 2.119 40 0 EEABRN COc1cc2c(cc1OC)CCN(c1ccnc(N(C)C)n1)CC2 ZINC000607143693 469670362 /nfs/dbraw/zinc/67/03/62/469670362.db2.gz AYTFSGMELPLLRW-UHFFFAOYSA-N 0 0 328.416 2.165 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)n1 ZINC000390827653 485668305 /nfs/dbraw/zinc/66/83/05/485668305.db2.gz INZITHSBIWFNGM-KRWDZBQOSA-N 0 0 340.427 2.453 40 0 EEABRN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000096473686 528150305 /nfs/dbraw/zinc/15/03/05/528150305.db2.gz LZILEULNGYRGDU-JKSUJKDBSA-N 0 0 332.448 2.487 40 0 EEABRN CCOC(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3C2)oc1C ZINC000191684014 528373384 /nfs/dbraw/zinc/37/33/84/528373384.db2.gz FWBKBLYXTARUBF-LBPRGKRZSA-N 0 0 330.340 2.350 40 0 EEABRN CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1cccnc1N(C)C ZINC000190064848 528433806 /nfs/dbraw/zinc/43/38/06/528433806.db2.gz VEGBAYRLCPVKTB-GOSISDBHSA-N 0 0 334.464 2.230 40 0 EEABRN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC=C(C)C1)C2=O ZINC000253427684 535323756 /nfs/dbraw/zinc/32/37/56/535323756.db2.gz NSXIRWKXRWLXQR-UHFFFAOYSA-N 0 0 333.432 2.056 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)on1 ZINC000257242743 536107837 /nfs/dbraw/zinc/10/78/37/536107837.db2.gz IDYDCWAILWPBMK-INIZCTEOSA-N 0 0 342.399 2.245 40 0 EEABRN COC(=O)Cc1occc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000225803299 536373831 /nfs/dbraw/zinc/37/38/31/536373831.db2.gz MTADUZPQWOUXGC-CQSZACIVSA-N 0 0 345.399 2.323 40 0 EEABRN COc1nccc(CNc2cc(S(N)(=O)=O)cc(C)c2C)c1F ZINC000902589610 1237974908 /nfs/dbraw/zinc/97/49/08/1237974908.db2.gz HWUXJHOGKMSIHF-UHFFFAOYSA-N 0 0 339.392 2.106 40 0 EEABRN O=C(NC1CCCC1)C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000006610360 1351821945 /nfs/dbraw/zinc/82/19/45/1351821945.db2.gz WNLNFAAWURPITK-UHFFFAOYSA-N 0 0 340.427 2.245 40 0 EEABRN O=C(NC[C@H]1CCCO1)c1ccn(COc2ccccc2Cl)n1 ZINC000027972507 1352373876 /nfs/dbraw/zinc/37/38/76/1352373876.db2.gz NPDJNXAXMIDGRM-GFCCVEGCSA-N 0 0 335.791 2.482 40 0 EEABRN CCn1nccc1CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000028219020 1352374190 /nfs/dbraw/zinc/37/41/90/1352374190.db2.gz YKUKXVWYSOVTHU-UHFFFAOYSA-N 0 0 333.388 2.201 40 0 EEABRN Cc1ccc(NC(=O)N2CC3(C2)CC(=O)N(CC2CC2)O3)cc1F ZINC001549161726 1121134239 /nfs/dbraw/zinc/13/42/39/1121134239.db2.gz KKYQNXXRHFQEBN-UHFFFAOYSA-N 0 0 333.363 2.294 40 0 EEABRN CCOC(=O)C1=C(C(C)=O)NN(c2ccc(Br)cc2)C1 ZINC000059416360 214619739 /nfs/dbraw/zinc/61/97/39/214619739.db2.gz DVQVEKUDNPVSOK-GFCCVEGCSA-N 0 0 339.189 2.393 40 0 EEABRN CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000008475942 201751126 /nfs/dbraw/zinc/75/11/26/201751126.db2.gz SWLMIRCXJYCVJO-LBPRGKRZSA-N 0 0 342.461 2.300 40 0 EEABRN CCCC(=O)Nc1sc2c(c1C(=O)OC)[C@@H](C(=O)OC)CC2 ZINC000004158963 210134299 /nfs/dbraw/zinc/13/42/99/210134299.db2.gz FFEPOHSPOXJNTB-QMMMGPOBSA-N 0 0 325.386 2.476 40 0 EEABRN CCc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3ccsc3n21 ZINC000012114290 201825896 /nfs/dbraw/zinc/82/58/96/201825896.db2.gz DERSMSDFCOPTMF-UHFFFAOYSA-N 0 0 332.429 2.188 40 0 EEABRN Cc1ccn(CCNC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)n1 ZINC000012199097 201832111 /nfs/dbraw/zinc/83/21/11/201832111.db2.gz AENQOKPETVBPFH-OAHLLOKOSA-N 0 0 332.791 2.154 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)c2cscc2C(F)(F)F)cn1 ZINC000585114120 539980554 /nfs/dbraw/zinc/98/05/54/539980554.db2.gz AFLFYFVTCFFXNP-GFCCVEGCSA-N 0 0 333.335 2.138 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000019405539 202007178 /nfs/dbraw/zinc/00/71/78/202007178.db2.gz WAPZGVFQRFNCQE-INIZCTEOSA-N 0 0 347.378 2.204 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019462833 202008616 /nfs/dbraw/zinc/00/86/16/202008616.db2.gz SQYVHMREEFBMJU-ONGXEEELSA-N 0 0 335.358 2.424 40 0 EEABRN CCN1C[C@H](C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1=O ZINC000019526888 202010342 /nfs/dbraw/zinc/01/03/42/202010342.db2.gz XIMURUVDZOAWGN-HUUCEWRRSA-N 0 0 348.418 2.312 40 0 EEABRN Cc1nc2nc(-c3ccc(NC(=O)[C@H]4CCOC4)cc3)cn2nc1C ZINC000019657334 202015281 /nfs/dbraw/zinc/01/52/81/202015281.db2.gz UHYLZYAQGQCHGQ-AWEZNQCLSA-N 0 0 337.383 2.383 40 0 EEABRN COCCNC(=O)CN1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000019719777 202016191 /nfs/dbraw/zinc/01/61/91/202016191.db2.gz WOVYUILAZOKKOQ-UHFFFAOYSA-N 0 0 349.431 2.070 40 0 EEABRN CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2nccs2)CC1 ZINC000019894196 202025299 /nfs/dbraw/zinc/02/52/99/202025299.db2.gz YWLSTRPCGVCIEH-UHFFFAOYSA-N 0 0 340.449 2.071 40 0 EEABRN Cc1cccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1C ZINC000020107901 202031862 /nfs/dbraw/zinc/03/18/62/202031862.db2.gz SRLBXRMLZYRATG-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN O=C(COc1ccccc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028284170 202169461 /nfs/dbraw/zinc/16/94/61/202169461.db2.gz ZLIVRAWJKTZYQF-KGLIPLIRSA-N 0 0 348.424 2.188 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)cs1 ZINC000257270006 535365823 /nfs/dbraw/zinc/36/58/23/535365823.db2.gz MSJOMELJBBCZDQ-QGZVFWFLSA-N 0 0 346.456 2.033 40 0 EEABRN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000187438167 236210946 /nfs/dbraw/zinc/21/09/46/236210946.db2.gz SWCNYRBJVHIEMC-GFCCVEGCSA-N 0 0 338.333 2.366 40 0 EEABRN O=C(C[C@H]1OCCN(Cc2ccccc2)C1=O)NCc1ccccc1 ZINC000008215834 236894449 /nfs/dbraw/zinc/89/44/49/236894449.db2.gz PSBFNSJKNYGJGE-GOSISDBHSA-N 0 0 338.407 2.121 40 0 EEABRN O=Cc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000097513950 237064529 /nfs/dbraw/zinc/06/45/29/237064529.db2.gz SPFAJAZOGQOICM-UHFFFAOYSA-N 0 0 340.379 2.353 40 0 EEABRN Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1CCCCNC1=O ZINC000069329111 202273411 /nfs/dbraw/zinc/27/34/11/202273411.db2.gz GKAKXPZQXSSBJX-SNVBAGLBSA-N 0 0 327.331 2.387 40 0 EEABRN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NC(N)=O ZINC000069457411 202283287 /nfs/dbraw/zinc/28/32/87/202283287.db2.gz SPBQOJSJTJBZJM-LLVKDONJSA-N 0 0 341.371 2.326 40 0 EEABRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CCC(=O)N1 ZINC000072870190 202368513 /nfs/dbraw/zinc/36/85/13/202368513.db2.gz BBEYJRUJLBBYGW-GFCCVEGCSA-N 0 0 338.289 2.108 40 0 EEABRN COc1nc(C(=O)NCCn2cnnc2C(C)C)cc2ccccc21 ZINC000073146751 202368638 /nfs/dbraw/zinc/36/86/38/202368638.db2.gz VUADOOIAXBFMIA-UHFFFAOYSA-N 0 0 339.399 2.388 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(N2CCCCCC2)n1 ZINC000072241507 202357868 /nfs/dbraw/zinc/35/78/68/202357868.db2.gz RHUMVENEHOPNHJ-GASCZTMLSA-N 0 0 332.448 2.415 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)[nH]n1 ZINC000072242604 202358150 /nfs/dbraw/zinc/35/81/50/202358150.db2.gz QDMNRSHJOKLMPO-HNNXBMFYSA-N 0 0 334.383 2.378 40 0 EEABRN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1[C@@H]2CC[C@H]1COC2 ZINC000075166533 202378059 /nfs/dbraw/zinc/37/80/59/202378059.db2.gz MTMFTZZOPUAEJX-DFBGVHRSSA-N 0 0 334.803 2.083 40 0 EEABRN CCC(=O)N1CCC[C@@H](C(=O)OCCc2c[nH]nc2C(F)(F)F)C1 ZINC000078442227 202395828 /nfs/dbraw/zinc/39/58/28/202395828.db2.gz DALLNFPOAMUOFI-LLVKDONJSA-N 0 0 347.337 2.163 40 0 EEABRN O=C(N[C@H](COc1ccccc1)c1ccccc1)[C@@H]1CCC(=O)NC1 ZINC000078659395 202398324 /nfs/dbraw/zinc/39/83/24/202398324.db2.gz QWFIJAWFCZIRCN-SJLPKXTDSA-N 0 0 338.407 2.449 40 0 EEABRN Cc1cc(C)n2ncc(-c3noc([C@H]4CC(=O)N(C(C)C)C4)n3)c2n1 ZINC000078774393 202399808 /nfs/dbraw/zinc/39/98/08/202399808.db2.gz SOHHQRQYCJKUGL-LBPRGKRZSA-N 0 0 340.387 2.120 40 0 EEABRN C[C@H](NC(=O)N1CCO[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000076486408 202389137 /nfs/dbraw/zinc/38/91/37/202389137.db2.gz MFQNYGAXRUNZDA-QWRGUYRKSA-N 0 0 334.351 2.367 40 0 EEABRN CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076500834 202389167 /nfs/dbraw/zinc/38/91/67/202389167.db2.gz COARMXOOMFSNSL-RYUDHWBXSA-N 0 0 330.837 2.163 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ncc(Br)cn2)C1 ZINC000077235721 202392212 /nfs/dbraw/zinc/39/22/12/202392212.db2.gz XCMPOWGMIUGJOI-VHSXEESVSA-N 0 0 334.239 2.007 40 0 EEABRN CN(C)c1ccccc1NC(=O)C(=O)NCCCNc1ccccc1 ZINC000077830956 202392511 /nfs/dbraw/zinc/39/25/11/202392511.db2.gz SUSHYLSTQUGWSB-UHFFFAOYSA-N 0 0 340.427 2.310 40 0 EEABRN Cc1csc(C2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000080647546 202469881 /nfs/dbraw/zinc/46/98/81/202469881.db2.gz BFZVYMNHBCQJNN-UHFFFAOYSA-N 0 0 332.491 2.386 40 0 EEABRN CC(C)[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000193924516 240363326 /nfs/dbraw/zinc/36/33/26/240363326.db2.gz SIHJHTGHIDTTCV-BXUZGUMPSA-N 0 0 346.880 2.433 40 0 EEABRN COC(=O)c1ccc(N(C)Cc2cc(Br)cn2C)nn1 ZINC000268187692 201225570 /nfs/dbraw/zinc/22/55/70/201225570.db2.gz KFUPOVNYLWQFKD-UHFFFAOYSA-N 0 0 339.193 2.001 40 0 EEABRN CCc1ncc(NC(=O)NC(C)(C)C(=O)NCC2CCCC2)cn1 ZINC000285826015 201333189 /nfs/dbraw/zinc/33/31/89/201333189.db2.gz FOBVKVPRZZENKB-UHFFFAOYSA-N 0 0 333.436 2.246 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)c1ccno1 ZINC000085467509 202617611 /nfs/dbraw/zinc/61/76/11/202617611.db2.gz OBLJERZOROGXTA-HNNXBMFYSA-N 0 0 345.374 2.167 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)[C@@H]1CC=CCC1 ZINC000085467775 202617838 /nfs/dbraw/zinc/61/78/38/202617838.db2.gz KNESCDOKEHXUGW-WBVHZDCISA-N 0 0 345.418 2.235 40 0 EEABRN O=C(CN1CCCC1=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000193386647 240141151 /nfs/dbraw/zinc/14/11/51/240141151.db2.gz QQIWXBADJJUXKY-UHFFFAOYSA-N 0 0 327.359 2.376 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000193620383 240236072 /nfs/dbraw/zinc/23/60/72/240236072.db2.gz XQGKAOJZNQXHQK-HZPDHXFCSA-N 0 0 337.391 2.393 40 0 EEABRN CCn1c(C)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000216101494 241162558 /nfs/dbraw/zinc/16/25/58/241162558.db2.gz RVZYAHHKGKANLD-UHFFFAOYSA-N 0 0 334.401 2.124 40 0 EEABRN CC(C)(C)CNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949331 242080072 /nfs/dbraw/zinc/08/00/72/242080072.db2.gz OKJOAWKILGDGOX-CYBMUJFWSA-N 0 0 346.880 2.483 40 0 EEABRN O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(C2CCC2)CC1 ZINC000225723680 242005871 /nfs/dbraw/zinc/00/58/71/242005871.db2.gz IIGHDCBVROXJGJ-INIZCTEOSA-N 0 0 347.484 2.276 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)N3CCC[C@H](C)C3)nn2)c1 ZINC000227160556 242125207 /nfs/dbraw/zinc/12/52/07/242125207.db2.gz MLPPONAXGNNCTM-HNNXBMFYSA-N 0 0 328.416 2.424 40 0 EEABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc(Cl)c2)n1 ZINC000021596149 212233216 /nfs/dbraw/zinc/23/32/16/212233216.db2.gz JQMCPAMDSUBZLC-UHFFFAOYSA-N 0 0 338.824 2.109 40 0 EEABRN CCOc1cccc(S(=O)(=O)Nc2ccc(OCCO)cc2)c1 ZINC000242389535 243020226 /nfs/dbraw/zinc/02/02/26/243020226.db2.gz ZYCAIPMWPVPHGW-UHFFFAOYSA-N 0 0 337.397 2.257 40 0 EEABRN CCO[C@@H]1CSC2(CN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000248041081 243512404 /nfs/dbraw/zinc/51/24/04/243512404.db2.gz LAQNZUVYCCELHO-LBPRGKRZSA-N 0 0 331.441 2.310 40 0 EEABRN Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)cc1 ZINC000248141633 243534379 /nfs/dbraw/zinc/53/43/79/243534379.db2.gz FSHQPCLPYAOHGP-QGZVFWFLSA-N 0 0 349.394 2.085 40 0 EEABRN C[C@H](CNC(=O)NCCC1(O)CCC1)c1nc(-c2ccccc2)no1 ZINC000252487050 243784672 /nfs/dbraw/zinc/78/46/72/243784672.db2.gz HRGKYFQIAXFQKJ-CYBMUJFWSA-N 0 0 344.415 2.444 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000253370573 243879090 /nfs/dbraw/zinc/87/90/90/243879090.db2.gz SOHDHMUXNPKRSI-KGYLQXTDSA-N 0 0 332.322 2.081 40 0 EEABRN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nccc(N)n1 ZINC000092125129 203078220 /nfs/dbraw/zinc/07/82/20/203078220.db2.gz RDFDMTRXBVRUHW-OAHLLOKOSA-N 0 0 334.807 2.432 40 0 EEABRN CCNC(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000071837158 203123728 /nfs/dbraw/zinc/12/37/28/203123728.db2.gz DOJLJOQQXCPRLL-UHFFFAOYSA-N 0 0 333.407 2.121 40 0 EEABRN CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2ncccc2C)ccn1 ZINC000257205877 244132145 /nfs/dbraw/zinc/13/21/45/244132145.db2.gz BAYAEZBMRWESGU-QGZVFWFLSA-N 0 0 338.411 2.398 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)n(C)n1 ZINC000257203023 244124936 /nfs/dbraw/zinc/12/49/36/244124936.db2.gz AOIJVHSKWBHIJW-YJBOKZPZSA-N 0 0 332.448 2.207 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cnc(C)nc1 ZINC000257202813 244125188 /nfs/dbraw/zinc/12/51/88/244125188.db2.gz ANNLVQLUYHPMTE-GOSISDBHSA-N 0 0 340.427 2.199 40 0 EEABRN COc1cccc([C@]2(Cc3ccc(Cl)cc3)NC(N)=NC2=O)c1 ZINC000071975269 203156009 /nfs/dbraw/zinc/15/60/09/203156009.db2.gz LUBRWEGXURGMQP-KRWDZBQOSA-N 0 0 329.787 2.231 40 0 EEABRN COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(C)=O)C2 ZINC000257214638 244162338 /nfs/dbraw/zinc/16/23/38/244162338.db2.gz CMSFDDBFPBOTHY-NQUFMGSDSA-N 0 0 343.427 2.094 40 0 EEABRN CC(=O)N1CC2(CCN(C(=O)c3ccccc3)CC2)C[C@H](O)C1(C)C ZINC000257216316 244165669 /nfs/dbraw/zinc/16/56/69/244165669.db2.gz CTZJKVWONTXRKH-KRWDZBQOSA-N 0 0 344.455 2.301 40 0 EEABRN COc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000072237941 203184600 /nfs/dbraw/zinc/18/46/00/203184600.db2.gz YPJBLJKUBLDBHS-MSOLQXFVSA-N 0 0 340.379 2.232 40 0 EEABRN NC(=O)c1cccc(-c2nccc([C@H]3CCCN3c3ncccn3)n2)c1 ZINC000072379595 203210236 /nfs/dbraw/zinc/21/02/36/203210236.db2.gz ROSHNMDGHMKIPL-MRXNPFEDSA-N 0 0 346.394 2.374 40 0 EEABRN Cc1nc([C@H]2CN(C(=O)C=Cc3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257232966 244219540 /nfs/dbraw/zinc/21/95/40/244219540.db2.gz GNDJOWBMJAPUAF-KXPUMZMLSA-N 0 0 325.368 2.104 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000257237801 244234500 /nfs/dbraw/zinc/23/45/00/244234500.db2.gz HIFWZVNGLMZJOO-ZDUSSCGKSA-N 0 0 340.383 2.032 40 0 EEABRN Cc1cccnc1Nc1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 ZINC000072360232 203204543 /nfs/dbraw/zinc/20/45/43/203204543.db2.gz QOSGBTVVUKRHED-CQSZACIVSA-N 0 0 347.444 2.329 40 0 EEABRN CC(=O)NCc1cnc([C@H]2CCCN2C(C)=O)cc1C(F)(F)F ZINC000072355986 203205225 /nfs/dbraw/zinc/20/52/25/203205225.db2.gz UDBCOWGKIDHPTF-CQSZACIVSA-N 0 0 329.322 2.420 40 0 EEABRN CN(C)C(=O)CCc1cncc([C@@H]2CCCN2Cc2ccccn2)n1 ZINC000072360472 203205782 /nfs/dbraw/zinc/20/57/82/203205782.db2.gz VRUATSARFGFUOI-SFHVURJKSA-N 0 0 339.443 2.230 40 0 EEABRN Cn1ccnc1-c1nccnc1C[C@H]1CCN(Cc2cscn2)C1 ZINC000257246998 244258026 /nfs/dbraw/zinc/25/80/26/244258026.db2.gz IWXHCUSEPBXCGH-CYBMUJFWSA-N 0 0 340.456 2.398 40 0 EEABRN Cc1cc(C[C@@H]2COCCN(C(=O)Cc3ccsc3)C2)ncn1 ZINC000257251037 244268182 /nfs/dbraw/zinc/26/81/82/244268182.db2.gz JPDCRBZERILFQM-HNNXBMFYSA-N 0 0 331.441 2.107 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253721 244275096 /nfs/dbraw/zinc/27/50/96/244275096.db2.gz JZZVXJLYOWHYGU-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN O=C(CCc1ccccc1F)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257254625 244279132 /nfs/dbraw/zinc/27/91/32/244279132.db2.gz KEABQKVURPWARY-QGZVFWFLSA-N 0 0 343.402 2.409 40 0 EEABRN CCC[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccc(Cl)c2)C1=O ZINC000040490294 203254118 /nfs/dbraw/zinc/25/41/18/203254118.db2.gz UMMAFDNOWFLQFB-CYBMUJFWSA-N 0 0 337.807 2.019 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)C2CCC(F)(F)CC2)cc(=O)[nH]1 ZINC000257266554 244363767 /nfs/dbraw/zinc/36/37/67/244363767.db2.gz MDMLWDNVPKVGSU-ZDUSSCGKSA-N 0 0 341.358 2.216 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2cc(C)[nH]n2)n1 ZINC000257271507 244379483 /nfs/dbraw/zinc/37/94/83/244379483.db2.gz MYPUTKOISGAPRF-HNNXBMFYSA-N 0 0 329.404 2.184 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@H](Cc3n[nH]cc3C)C2)on1 ZINC000257268502 244367598 /nfs/dbraw/zinc/36/75/98/244367598.db2.gz MLYMAYLHFCXAED-CYBMUJFWSA-N 0 0 332.404 2.129 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC[C@@H]1CCc1ccnc(C)c1 ZINC000257271535 244379553 /nfs/dbraw/zinc/37/95/53/244379553.db2.gz MYSFXRCKIQSZRN-MRXNPFEDSA-N 0 0 325.478 2.374 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257275009 244389086 /nfs/dbraw/zinc/38/90/86/244389086.db2.gz NNPCJYFEWQVXEH-MRXNPFEDSA-N 0 0 345.374 2.211 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257313822 244497699 /nfs/dbraw/zinc/49/76/99/244497699.db2.gz UUGDAYDTORZSHW-HNNXBMFYSA-N 0 0 327.432 2.382 40 0 EEABRN CCCCS(=O)(=O)N1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 ZINC000257330765 244551000 /nfs/dbraw/zinc/55/10/00/244551000.db2.gz XPVQFDDYNJUUFT-HOTGVXAUSA-N 0 0 327.446 2.021 40 0 EEABRN CCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccccc2F)CC1 ZINC000019528077 212038881 /nfs/dbraw/zinc/03/88/81/212038881.db2.gz SZIBDYQFHQUWSX-MRXNPFEDSA-N 0 0 346.454 2.294 40 0 EEABRN C[C@@H]1CN(C(=O)c2ccco2)CC[C@@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061320 203816578 /nfs/dbraw/zinc/81/65/78/203816578.db2.gz LBNRXKWVQRFRQP-OGWOLHLISA-N 0 0 346.427 2.302 40 0 EEABRN COc1cc(N2CCC[C@@]3(CCN(c4ccc(C)nn4)C3)C2)ncn1 ZINC000096071611 203824232 /nfs/dbraw/zinc/82/42/32/203824232.db2.gz HFTRZQCBYGXTRH-GOSISDBHSA-N 0 0 340.431 2.081 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000101355712 204004815 /nfs/dbraw/zinc/00/48/15/204004815.db2.gz OHJHNXCMYLYTPW-WUKNDPDISA-N 0 0 346.433 2.384 40 0 EEABRN COc1ccc(OC)c(NC(=O)C(=O)NCc2cccc(C)c2)c1 ZINC000042646637 204118001 /nfs/dbraw/zinc/11/80/01/204118001.db2.gz XBOALLWQLDGZQB-UHFFFAOYSA-N 0 0 328.368 2.267 40 0 EEABRN CCc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019173304 212003457 /nfs/dbraw/zinc/00/34/57/212003457.db2.gz MCLBTCZSLOACKV-UHFFFAOYSA-N 0 0 332.425 2.468 40 0 EEABRN CCOCCCNC(=S)Nc1cc(OC)c(OC)c(OC)c1 ZINC000016213361 211889950 /nfs/dbraw/zinc/88/99/50/211889950.db2.gz JKDFPEIZXUYNST-UHFFFAOYSA-N 0 0 328.434 2.425 40 0 EEABRN COC(=O)c1csc(NC(=O)C2CCN(c3cnccn3)CC2)c1 ZINC000131590994 205295488 /nfs/dbraw/zinc/29/54/88/205295488.db2.gz IAHGOUBNUNYWDC-UHFFFAOYSA-N 0 0 346.412 2.180 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl ZINC000156781863 206100129 /nfs/dbraw/zinc/10/01/29/206100129.db2.gz JCAWTDCBDSIVMG-UHFFFAOYSA-N 0 0 340.788 2.000 40 0 EEABRN O=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000157860955 206160834 /nfs/dbraw/zinc/16/08/34/206160834.db2.gz HRCPJXVDMQTWKF-KDURUIRLSA-N 0 0 343.471 2.460 40 0 EEABRN CCC1=C[C@](O)(C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)N1 ZINC000000199843 206209405 /nfs/dbraw/zinc/20/94/05/206209405.db2.gz RVSLAKIBFNSFQL-LBPRGKRZSA-N 0 0 336.335 2.406 40 0 EEABRN NC(=O)[C@H]1CCCCN1C(=O)CCSc1cc(F)ccc1F ZINC000095396431 218328142 /nfs/dbraw/zinc/32/81/42/218328142.db2.gz RNPSFGSIYSMGFT-GFCCVEGCSA-N 0 0 328.384 2.313 40 0 EEABRN Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)cc1Br ZINC000095453991 218397452 /nfs/dbraw/zinc/39/74/52/218397452.db2.gz FQLBLERBEOCXAI-LLVKDONJSA-N 0 0 337.221 2.476 40 0 EEABRN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000096404896 218754850 /nfs/dbraw/zinc/75/48/50/218754850.db2.gz MJSYHBQDOSGQOS-DOPJRALCSA-N 0 0 343.448 2.494 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)no1 ZINC000096419972 218783772 /nfs/dbraw/zinc/78/37/72/218783772.db2.gz PXQLJKXZHAKFBS-LLVKDONJSA-N 0 0 344.289 2.172 40 0 EEABRN CCOc1c(F)cccc1C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000096431018 218804831 /nfs/dbraw/zinc/80/48/31/218804831.db2.gz PJEIABJWKAWXHD-CYBMUJFWSA-N 0 0 334.391 2.451 40 0 EEABRN CC(C)(C)n1cc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)cn1 ZINC000096426901 218797829 /nfs/dbraw/zinc/79/78/29/218797829.db2.gz AMDRQDIXUSFCOH-UHFFFAOYSA-N 0 0 332.379 2.299 40 0 EEABRN O=C(c1ccccc1NCCOCC(F)(F)F)N1CCC[C@H](O)C1 ZINC000096427434 218798824 /nfs/dbraw/zinc/79/88/24/218798824.db2.gz OVSNASFBBBZMBY-LBPRGKRZSA-N 0 0 346.349 2.274 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)Cc3cccc(F)c3)nn2)cc1 ZINC000096461604 218843764 /nfs/dbraw/zinc/84/37/64/218843764.db2.gz QKGJCVCWFYEXDG-UHFFFAOYSA-N 0 0 340.358 2.274 40 0 EEABRN C[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)[C@H](c2ccccc2)CO1 ZINC000096461455 218844228 /nfs/dbraw/zinc/84/42/28/218844228.db2.gz MUFUHDZYTONLTB-CJNGLKHVSA-N 0 0 344.436 2.467 40 0 EEABRN Cc1nnc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C ZINC000096485438 218862328 /nfs/dbraw/zinc/86/23/28/218862328.db2.gz AGVKBDSQJWHLRN-CQSZACIVSA-N 0 0 338.358 2.298 40 0 EEABRN C[C@@H](Sc1nnc(CCC(N)=O)n1C)c1nc2ccccc2o1 ZINC000097232473 219001279 /nfs/dbraw/zinc/00/12/79/219001279.db2.gz FCOHFFQLTSBAFV-SECBINFHSA-N 0 0 331.401 2.228 40 0 EEABRN C[C@@H]1CCC[C@@H](NC(=O)CCn2nnc3ccccc3c2=O)[C@H]1C ZINC000273850549 256332769 /nfs/dbraw/zinc/33/27/69/256332769.db2.gz QPUMTOMQCVGNIS-VNHYZAJKSA-N 0 0 328.416 2.123 40 0 EEABRN CCCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000409195751 257875531 /nfs/dbraw/zinc/87/55/31/257875531.db2.gz KQPYHJQEAGFVFG-UHFFFAOYSA-N 0 0 326.462 2.222 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000043977044 132413857 /nfs/dbraw/zinc/41/38/57/132413857.db2.gz MENCWJPVAGFWDU-OAHLLOKOSA-N 0 0 340.427 2.277 40 0 EEABRN CO[C@H]1Cn2cccc2CN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000247902773 286118272 /nfs/dbraw/zinc/11/82/72/286118272.db2.gz WFFWCACPZQTGLG-ZDUSSCGKSA-N 0 0 340.832 2.361 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2C)cc1 ZINC000257299516 286378632 /nfs/dbraw/zinc/37/86/32/286378632.db2.gz RQKDDDVGSPSSGW-LJQANCHMSA-N 0 0 342.443 2.143 40 0 EEABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C ZINC000223062257 292348031 /nfs/dbraw/zinc/34/80/31/292348031.db2.gz BALBISMTHROCOB-JKSUJKDBSA-N 0 0 330.457 2.429 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)[C@H](C)c1cccc(Br)c1 ZINC000291923504 275354152 /nfs/dbraw/zinc/35/41/52/275354152.db2.gz NNNZBTPSHLBMEO-NXEZZACHSA-N 0 0 348.262 2.402 40 0 EEABRN CC(=O)Nc1nc(C(=O)N2CCN(C)c3cc(F)ccc32)cs1 ZINC000096432426 275496508 /nfs/dbraw/zinc/49/65/08/275496508.db2.gz TVIKYIDSBLVTQN-UHFFFAOYSA-N 0 0 334.376 2.337 40 0 EEABRN CCO[C@H]1Cn2cccc2CN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000248056919 276367706 /nfs/dbraw/zinc/36/77/06/276367706.db2.gz OTFIROCQPQOKSE-HNNXBMFYSA-N 0 0 338.411 2.436 40 0 EEABRN CC(C)(C)C(=O)N1CC[C@H](c2c3nccnc3sc2C(N)=O)C1 ZINC000257211695 277128367 /nfs/dbraw/zinc/12/83/67/277128367.db2.gz BZYURRBBMNZSAC-VIFPVBQESA-N 0 0 332.429 2.152 40 0 EEABRN CNC(=O)CCN1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000152447108 277226721 /nfs/dbraw/zinc/22/67/21/277226721.db2.gz OENKMHYEYGOPFD-ABAIWWIYSA-N 0 0 341.249 2.347 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000044890071 279192791 /nfs/dbraw/zinc/19/27/91/279192791.db2.gz PYBCYSCGULTJEG-ZDUSSCGKSA-N 0 0 342.399 2.180 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000247994435 279246944 /nfs/dbraw/zinc/24/69/44/279246944.db2.gz CEVLVPDRTBZLOD-AWEZNQCLSA-N 0 0 343.383 2.139 40 0 EEABRN CCN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1cccs1)CC2 ZINC000096217684 279248797 /nfs/dbraw/zinc/24/87/97/279248797.db2.gz OXBIQHNOQNANAE-OAHLLOKOSA-N 0 0 342.486 2.304 40 0 EEABRN Cc1cc(C(F)(F)F)nc(N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)n1 ZINC000377980680 280378666 /nfs/dbraw/zinc/37/86/66/280378666.db2.gz BDWUAAQOSPPODE-GIPNMCIBSA-N 0 0 344.337 2.042 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccn2C)Cc2ncn(CC3CC3)c21 ZINC000096060281 293230741 /nfs/dbraw/zinc/23/07/41/293230741.db2.gz VTRPBXNNSSXHJN-CQSZACIVSA-N 0 0 328.416 2.018 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000095405983 295483273 /nfs/dbraw/zinc/48/32/73/295483273.db2.gz CUNWAVPDIYITNP-QWRGUYRKSA-N 0 0 341.395 2.439 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)N1c3ccccc3C[C@@H]1C)CS2 ZINC000085473680 302377418 /nfs/dbraw/zinc/37/74/18/302377418.db2.gz LDACMVOCEGEXKQ-GXTWGEPZSA-N 0 0 341.436 2.251 40 0 EEABRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000331538470 311868612 /nfs/dbraw/zinc/86/86/12/311868612.db2.gz MLVRVYLOQOWJBT-HIFRSBDPSA-N 0 0 340.420 2.168 40 0 EEABRN Cc1cnccc1NC(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000333465731 312151695 /nfs/dbraw/zinc/15/16/95/312151695.db2.gz ZVQWFSNFAXVOEQ-LJQANCHMSA-N 0 0 337.379 2.454 40 0 EEABRN O=C(NC[C@@H]1CCc2ccccc21)N1CCCN(C(=O)C2CC2)CC1 ZINC000097102934 323321141 /nfs/dbraw/zinc/32/11/41/323321141.db2.gz ACDRPPXLYSSWCZ-KRWDZBQOSA-N 0 0 341.455 2.370 40 0 EEABRN CCCN(C(=O)c1cnc2c(c1)nnn2C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000097237041 323321641 /nfs/dbraw/zinc/32/16/41/323321641.db2.gz FHPBZDHCBZFOCW-HUUCEWRRSA-N 0 0 345.447 2.419 40 0 EEABRN CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)C(C)=Nc2nnnn21 ZINC000000151001 462544142 /nfs/dbraw/zinc/54/41/42/462544142.db2.gz LECYLOAIJISAKY-OAHLLOKOSA-N 0 0 343.387 2.312 40 0 EEABRN CC(C)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000085470465 462550404 /nfs/dbraw/zinc/55/04/04/462550404.db2.gz PGTGWNZIOBNUBF-UHFFFAOYSA-N 0 0 325.416 2.398 40 0 EEABRN Cn1nc(CNS(=O)(=O)c2ccccc2F)cc1-c1ccncc1 ZINC000085556366 462552099 /nfs/dbraw/zinc/55/20/99/462552099.db2.gz LMHAGCGGGUOOKC-UHFFFAOYSA-N 0 0 346.387 2.100 40 0 EEABRN O=C(CSCc1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000045162767 462564755 /nfs/dbraw/zinc/56/47/55/462564755.db2.gz SHURSFOZYNSBPW-UHFFFAOYSA-N 0 0 342.892 2.412 40 0 EEABRN CCOC(=O)C(/C=C/c1cc(C)c(C)c(C)c1)(NC=O)C(=O)OCC ZINC000001594189 462583573 /nfs/dbraw/zinc/58/35/73/462583573.db2.gz GFUMUEAARQFQGT-CMDGGOBGSA-N 0 0 347.411 2.236 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)no1 ZINC000152988798 462602979 /nfs/dbraw/zinc/60/29/79/462602979.db2.gz IAEHLDVJBYYVTL-UHFFFAOYSA-N 0 0 338.770 2.129 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(F)cc1 ZINC000004199460 462628705 /nfs/dbraw/zinc/62/87/05/462628705.db2.gz JOVUNFDAJBFQME-CJXOWJITSA-N 0 0 330.359 2.185 40 0 EEABRN C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)NCc1ccccc1)C(=O)N2 ZINC000004399641 462631793 /nfs/dbraw/zinc/63/17/93/462631793.db2.gz BJEIAJDDINZWTF-WRWLIDTKSA-N 0 0 336.391 2.331 40 0 EEABRN O=C(NCc1ccncc1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 ZINC000004928025 462640899 /nfs/dbraw/zinc/64/08/99/462640899.db2.gz ZISRUSKDRYQBSG-PTNGSMBKSA-N 0 0 336.351 2.090 40 0 EEABRN CC(C)NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046057936 462642981 /nfs/dbraw/zinc/64/29/81/462642981.db2.gz OBKBIFVZOYFQIL-UHFFFAOYSA-N 0 0 326.443 2.435 40 0 EEABRN CCc1c(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c1=O ZINC000005021629 462643251 /nfs/dbraw/zinc/64/32/51/462643251.db2.gz TZMKHCGQEURBGG-UHFFFAOYSA-N 0 0 347.396 2.100 40 0 EEABRN CCOCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000005001148 462644232 /nfs/dbraw/zinc/64/42/32/462644232.db2.gz JQADSXNNGXHXFJ-UHFFFAOYSA-N 0 0 328.415 2.065 40 0 EEABRN CC1(C)Oc2cc(S(=O)(=O)NCC3CCCC3)ccc2NC1=O ZINC000046088681 462645552 /nfs/dbraw/zinc/64/55/52/462645552.db2.gz ZNRMMYCDEHPYNV-UHFFFAOYSA-N 0 0 338.429 2.265 40 0 EEABRN COc1ccc2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2c1 ZINC000046088293 462646434 /nfs/dbraw/zinc/64/64/34/462646434.db2.gz AQYQKCVTZFMZQU-UHFFFAOYSA-N 0 0 337.339 2.244 40 0 EEABRN C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@H]1CCCC[C@H]1C ZINC000005278839 462653993 /nfs/dbraw/zinc/65/39/93/462653993.db2.gz DWPQTVCOPMWOHI-FMKPAKJESA-N 0 0 348.443 2.331 40 0 EEABRN CC1=NC(=S)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OC(C)C ZINC000005523371 462661675 /nfs/dbraw/zinc/66/16/75/462661675.db2.gz CNXCJHGYDWERND-HNNXBMFYSA-N 0 0 333.457 2.497 40 0 EEABRN CCCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006263938 462680838 /nfs/dbraw/zinc/68/08/38/462680838.db2.gz XXJFEVMPJFAVJH-UHFFFAOYSA-N 0 0 325.459 2.339 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc2c(cc1C)OCO2 ZINC000006349570 462682724 /nfs/dbraw/zinc/68/27/24/462682724.db2.gz UJIJTQJNMAYTPU-AWEZNQCLSA-N 0 0 334.397 2.080 40 0 EEABRN O=C(Nc1cccnc1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000006445250 462686411 /nfs/dbraw/zinc/68/64/11/462686411.db2.gz DTROIKHAVYHBGG-UHFFFAOYSA-N 0 0 325.368 2.415 40 0 EEABRN CCCCNC(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000064790017 462719820 /nfs/dbraw/zinc/71/98/20/462719820.db2.gz ANVDOQDVISAATN-UHFFFAOYSA-N 0 0 340.383 2.427 40 0 EEABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cc1C ZINC000007362060 462732358 /nfs/dbraw/zinc/73/23/58/462732358.db2.gz JJDBMYJVYYJGHT-UHFFFAOYSA-N 0 0 348.424 2.277 40 0 EEABRN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000007928696 462758291 /nfs/dbraw/zinc/75/82/91/462758291.db2.gz JFZAPOSZMRLVFY-AWEZNQCLSA-N 0 0 339.347 2.432 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Cl ZINC000008286583 462777366 /nfs/dbraw/zinc/77/73/66/462777366.db2.gz IQCUFUCGYRLSSJ-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC ZINC000008475997 462784852 /nfs/dbraw/zinc/78/48/52/462784852.db2.gz SMPPKBBPFDPTEC-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN Cn1ccc(CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000090601765 462801336 /nfs/dbraw/zinc/80/13/36/462801336.db2.gz NFWPLJJGRTWKJL-HNNXBMFYSA-N 0 0 344.390 2.159 40 0 EEABRN O=C(NCc1ccccc1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000090609188 462802237 /nfs/dbraw/zinc/80/22/37/462802237.db2.gz FUNQJWXVXOZCAU-QGZVFWFLSA-N 0 0 349.500 2.036 40 0 EEABRN CCOc1ccc(CC(=O)NCc2nnc(-c3ccncc3)[nH]2)cc1 ZINC000012114806 462843149 /nfs/dbraw/zinc/84/31/49/462843149.db2.gz POFQEJWOVBFPLM-UHFFFAOYSA-N 0 0 337.383 2.124 40 0 EEABRN CC(=O)N1CCCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 ZINC000012145533 462844737 /nfs/dbraw/zinc/84/47/37/462844737.db2.gz PENJZLWSXAMTOH-UHFFFAOYSA-N 0 0 331.347 2.175 40 0 EEABRN CCCN(C[C@@H]1CCCO1)C(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000012242116 462849177 /nfs/dbraw/zinc/84/91/77/462849177.db2.gz UTJHNGGAVYXZDC-LBPRGKRZSA-N 0 0 349.456 2.335 40 0 EEABRN CCCNC(=O)CCN[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000155251507 462866431 /nfs/dbraw/zinc/86/64/31/462866431.db2.gz VJTUVRMIBIRWKB-CYBMUJFWSA-N 0 0 344.864 2.064 40 0 EEABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)Nc1ccccc1F ZINC000013565342 462896158 /nfs/dbraw/zinc/89/61/58/462896158.db2.gz RIROUHRLKGLKQT-UHFFFAOYSA-N 0 0 326.335 2.370 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000133388747 462926120 /nfs/dbraw/zinc/92/61/20/462926120.db2.gz QFHKYUMMBYNWJX-QWRGUYRKSA-N 0 0 348.262 2.461 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1C ZINC000014607450 462929690 /nfs/dbraw/zinc/92/96/90/462929690.db2.gz XIEQUJHJUHFESO-UHFFFAOYSA-N 0 0 340.427 2.284 40 0 EEABRN CC(C)(C)c1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000015192767 462943646 /nfs/dbraw/zinc/94/36/46/462943646.db2.gz CJQIWPHCDDPBGJ-UHFFFAOYSA-N 0 0 343.412 2.184 40 0 EEABRN Cc1nccc(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000067061335 462961792 /nfs/dbraw/zinc/96/17/92/462961792.db2.gz RDHYGZNPPBUDHK-MRXNPFEDSA-N 0 0 330.363 2.207 40 0 EEABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1O ZINC000023751728 463071402 /nfs/dbraw/zinc/07/14/02/463071402.db2.gz LWHMKJFHDGXMPO-UHFFFAOYSA-N 0 0 332.743 2.410 40 0 EEABRN COC(=O)[C@@]1(Cc2ccccc2)NCCc2cc(OC)c(OC)cc21 ZINC000024717790 463095069 /nfs/dbraw/zinc/09/50/69/463095069.db2.gz YPTVRLCNHDIUFQ-FQEVSTJZSA-N 0 0 341.407 2.461 40 0 EEABRN c1ccc(COC[C@@]23CCCO[C@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040238 463144875 /nfs/dbraw/zinc/14/48/75/463144875.db2.gz DISSBQIFALOJLC-HKUYNNGSSA-N 0 0 340.427 2.464 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)cs1 ZINC000096050796 463155235 /nfs/dbraw/zinc/15/52/35/463155235.db2.gz CJINWOFRGSBPJX-QGZVFWFLSA-N 0 0 328.441 2.476 40 0 EEABRN O=C(c1ccco1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096066870 463164596 /nfs/dbraw/zinc/16/45/96/463164596.db2.gz VRYXBPBXLWVIID-CQSZACIVSA-N 0 0 338.367 2.222 40 0 EEABRN O=C(c1cccnc1)N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000096069519 463165455 /nfs/dbraw/zinc/16/54/55/463165455.db2.gz KFYARKILWAHHCA-QGZVFWFLSA-N 0 0 335.407 2.360 40 0 EEABRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@H]2CC=CCC2)C1=O ZINC000068740882 463170475 /nfs/dbraw/zinc/17/04/75/463170475.db2.gz RPHMSYUERXCXIQ-LIRRHRJNSA-N 0 0 342.395 2.353 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096105848 463173820 /nfs/dbraw/zinc/17/38/20/463173820.db2.gz APQLNFFFFMFKJU-CQSZACIVSA-N 0 0 343.427 2.231 40 0 EEABRN O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccncc1 ZINC000096112494 463179687 /nfs/dbraw/zinc/17/96/87/463179687.db2.gz OZJNWBJIFAGOAW-ZDUSSCGKSA-N 0 0 326.331 2.072 40 0 biogenic,in-vitro EEABRN COCCn1cc(NC(=O)Nc2cc(F)ccc2-n2cccn2)cn1 ZINC000079028840 463180547 /nfs/dbraw/zinc/18/05/47/463180547.db2.gz MGGKSTISXGLOMY-UHFFFAOYSA-N 0 0 344.350 2.498 40 0 EEABRN COc1cccc(CN2CC[C@]3(CCN(c4ncccn4)C3)C2=O)c1 ZINC000096159793 463190710 /nfs/dbraw/zinc/19/07/10/463190710.db2.gz FHANBQVDZLHHGA-LJQANCHMSA-N 0 0 338.411 2.114 40 0 EEABRN Cc1cnc(N2CCC3(CC2)CN(Cc2nccs2)CCO3)nc1 ZINC000096158862 463191020 /nfs/dbraw/zinc/19/10/20/463191020.db2.gz KCQRQDTXDODCAD-UHFFFAOYSA-N 0 0 345.472 2.113 40 0 EEABRN Cn1ccnc1CN1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC000096161373 463192044 /nfs/dbraw/zinc/19/20/44/463192044.db2.gz KCYFOEHGFIEYJI-KRWDZBQOSA-N 0 0 338.455 2.258 40 0 EEABRN Cc1cn2c(ncc(C(=O)N[C@@](C)(CO)C3CCCCC3)c2=O)s1 ZINC000157981115 463192536 /nfs/dbraw/zinc/19/25/36/463192536.db2.gz MAKGELQILXZGKI-KRWDZBQOSA-N 0 0 349.456 2.126 40 0 EEABRN COC(=O)CN1c2ccc(NC(=O)c3ccco3)cc2C(C)(C)C1=O ZINC000096182185 463194815 /nfs/dbraw/zinc/19/48/15/463194815.db2.gz IUDPTEAYLDPSOW-UHFFFAOYSA-N 0 0 342.351 2.329 40 0 EEABRN O=C(CCc1ccccc1Br)NCc1nnc2n1CCC2 ZINC000054151418 463213409 /nfs/dbraw/zinc/21/34/09/463213409.db2.gz TYJFOKDBFJYXDZ-UHFFFAOYSA-N 0 0 349.232 2.236 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096209374 463214279 /nfs/dbraw/zinc/21/42/79/463214279.db2.gz LLMFYPODDQGBPV-MJGOQNOKSA-N 0 0 349.402 2.391 40 0 EEABRN COCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccsc1 ZINC000096217391 463214921 /nfs/dbraw/zinc/21/49/21/463214921.db2.gz UHQWVDYYKRITOX-QGZVFWFLSA-N 0 0 336.457 2.382 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)s1 ZINC000096218432 463215562 /nfs/dbraw/zinc/21/55/62/463215562.db2.gz HLDPWUZLBCCXAA-YNEHKIRRSA-N 0 0 333.413 2.220 40 0 EEABRN COCCNc1ccnc([C@@H]2COCCN2C(=O)CC2CCCC2)n1 ZINC000096219505 463216182 /nfs/dbraw/zinc/21/61/82/463216182.db2.gz YKSVPCPBQCDTOG-HNNXBMFYSA-N 0 0 348.447 2.015 40 0 EEABRN CN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096219806 463218075 /nfs/dbraw/zinc/21/80/75/463218075.db2.gz MJUOXZZBGXZSDO-RHSMWYFYSA-N 0 0 344.440 2.048 40 0 EEABRN O=C(CC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239704 463224339 /nfs/dbraw/zinc/22/43/39/463224339.db2.gz GKVMEPAAFIQCHF-INIZCTEOSA-N 0 0 336.386 2.341 40 0 EEABRN Cc1cc(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccco2)oc1C ZINC000096248748 463226619 /nfs/dbraw/zinc/22/66/19/463226619.db2.gz CTFJUIWIRLECNL-WBVHZDCISA-N 0 0 330.384 2.215 40 0 EEABRN Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000096253418 463228523 /nfs/dbraw/zinc/22/85/23/463228523.db2.gz HTFCMGOLWFENPO-CEXWTWQISA-N 0 0 340.423 2.494 40 0 EEABRN O=C(c1ccncc1F)N1CCCn2cnc(CN3CCCC3)c2C1 ZINC000096259300 463230272 /nfs/dbraw/zinc/23/02/72/463230272.db2.gz OMIYBLMSLHQNFO-UHFFFAOYSA-N 0 0 343.406 2.059 40 0 EEABRN CN(C)Cc1nn(C)c2c1CN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096259079 463230375 /nfs/dbraw/zinc/23/03/75/463230375.db2.gz LQKOEFPSMMIBES-UHFFFAOYSA-N 0 0 335.411 2.186 40 0 EEABRN COc1ccc(S(=O)(=O)C2CN(C(=O)[C@H]3CC=CCC3)C2)cc1 ZINC000096377889 463237586 /nfs/dbraw/zinc/23/75/86/463237586.db2.gz RGBCRURJVHSFRN-ZDUSSCGKSA-N 0 0 335.425 2.036 40 0 EEABRN C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404365 463238527 /nfs/dbraw/zinc/23/85/27/463238527.db2.gz UTWIKRNTAHBQOH-RKNYENMMSA-N 0 0 344.436 2.086 40 0 EEABRN CCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000096409528 463242544 /nfs/dbraw/zinc/24/25/44/463242544.db2.gz KPTDMJOANBMZEZ-OAHLLOKOSA-N 0 0 335.423 2.135 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000096413476 463246178 /nfs/dbraw/zinc/24/61/78/463246178.db2.gz ZEHLHKHTVPHNRQ-VXGBXAGGSA-N 0 0 328.368 2.236 40 0 EEABRN CCO[C@@H]1C[C@H](N(C)c2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096419510 463250659 /nfs/dbraw/zinc/25/06/59/463250659.db2.gz HUHLZKUYCCKSLW-LSDHHAIUSA-N 0 0 345.447 2.445 40 0 EEABRN C[C@@H](CC(=O)c1cccc(F)c1)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000096426323 463256275 /nfs/dbraw/zinc/25/62/75/463256275.db2.gz PQULPCSCGPZLJW-WFASDCNBSA-N 0 0 334.391 2.291 40 0 EEABRN O=C(NCCCCn1ccnc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096426512 463256311 /nfs/dbraw/zinc/25/63/11/463256311.db2.gz ZWIYOKRVUCYAGV-HOTGVXAUSA-N 0 0 341.411 2.354 40 0 EEABRN Cc1ccc(N2CCC[C@H](NC(=O)Nc3cnn(C)c3)C2=O)cc1 ZINC000096433864 463262165 /nfs/dbraw/zinc/26/21/65/463262165.db2.gz UDADPBHFSMWETO-HNNXBMFYSA-N 0 0 327.388 2.046 40 0 EEABRN O=C(NCCNC(=O)[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1 ZINC000096435999 463263811 /nfs/dbraw/zinc/26/38/11/463263811.db2.gz MAAIGZQFCNCFLG-GFCCVEGCSA-N 0 0 346.374 2.447 40 0 EEABRN C[C@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)[C@@H]1CCCO1 ZINC000096435231 463263996 /nfs/dbraw/zinc/26/39/96/463263996.db2.gz GDRQUJQVODISFK-ZFWWWQNUSA-N 0 0 329.404 2.210 40 0 EEABRN CSC[C@H]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000096437310 463264642 /nfs/dbraw/zinc/26/46/42/463264642.db2.gz SKZDAXRZLTVAOR-ROUUACIJSA-N 0 0 348.512 2.489 40 0 EEABRN COCCCCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000096436416 463264751 /nfs/dbraw/zinc/26/47/51/463264751.db2.gz SJSLWTJFVCDFRC-UHFFFAOYSA-N 0 0 340.214 2.293 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000096439835 463265785 /nfs/dbraw/zinc/26/57/85/463265785.db2.gz HIZASNBKPUTNTK-HUUCEWRRSA-N 0 0 345.472 2.490 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C12CCC2 ZINC000096440800 463267539 /nfs/dbraw/zinc/26/75/39/463267539.db2.gz UPBQDFNNFPUAAG-LSDHHAIUSA-N 0 0 334.416 2.090 40 0 EEABRN Cc1nc(-c2cccc(C(=O)OCCn3ccccc3=O)c2)no1 ZINC000096441882 463267644 /nfs/dbraw/zinc/26/76/44/463267644.db2.gz GPQIFCSILDEAOX-UHFFFAOYSA-N 0 0 325.324 2.064 40 0 EEABRN CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000096447857 463271142 /nfs/dbraw/zinc/27/11/42/463271142.db2.gz SVSNFHCNGJWXEY-ZFWWWQNUSA-N 0 0 344.459 2.469 40 0 EEABRN C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000096447258 463271328 /nfs/dbraw/zinc/27/13/28/463271328.db2.gz BZHJFHOLQGPHFR-AWEZNQCLSA-N 0 0 347.419 2.033 40 0 EEABRN CCN(C[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1)CC(F)(F)F ZINC000096449431 463272182 /nfs/dbraw/zinc/27/21/82/463272182.db2.gz IGODTPJBMQQDFB-VIFPVBQESA-N 0 0 337.777 2.423 40 0 EEABRN Cc1ccc([C@H](C)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)s1 ZINC000096448324 463272191 /nfs/dbraw/zinc/27/21/91/463272191.db2.gz OTRCJPLJRMCYAN-LBPRGKRZSA-N 0 0 344.502 2.042 40 0 EEABRN CC(C)(C)c1nccc(NC2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000096453683 463274125 /nfs/dbraw/zinc/27/41/25/463274125.db2.gz KXMOSVBSUOIZOY-UHFFFAOYSA-N 0 0 340.431 2.281 40 0 EEABRN CCn1c(CN(C)CC(=O)Nc2c(C)n[nH]c2C)nc2ccccc21 ZINC000096455333 463275358 /nfs/dbraw/zinc/27/53/58/463275358.db2.gz YNQILRTXGNVGMZ-UHFFFAOYSA-N 0 0 340.431 2.467 40 0 EEABRN C[C@@H](CNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000096474865 463280512 /nfs/dbraw/zinc/28/05/12/463280512.db2.gz VDTJDFPEBJLXRD-QWRGUYRKSA-N 0 0 348.415 2.191 40 0 EEABRN Cc1nnc(CN(C)C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)n1C ZINC000096487049 463285060 /nfs/dbraw/zinc/28/50/60/463285060.db2.gz CDIJFFOMGPSGGZ-CYBMUJFWSA-N 0 0 343.214 2.122 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000096496639 463289184 /nfs/dbraw/zinc/28/91/84/463289184.db2.gz IKECRPQBIBHDAQ-GBIKHYSHSA-N 0 0 347.381 2.395 40 0 EEABRN CCOC(=O)C1=NN(C(=O)c2cccc(C)c2)[C@@](O)(C(C)(C)C)C1 ZINC000032138038 463365467 /nfs/dbraw/zinc/36/54/67/463365467.db2.gz SVNRMZFACILBNV-SFHVURJKSA-N 0 0 332.400 2.495 40 0 EEABRN Cc1cc(C)n2nc(C(=O)/N=c3/sc4ccccc4n3C)nc2n1 ZINC000103040097 463394496 /nfs/dbraw/zinc/39/44/96/463394496.db2.gz UTDGHVHSMWBGHE-KNTRCKAVSA-N 0 0 338.396 2.035 40 0 EEABRN CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1SCC(=O)N1C ZINC000071195296 463411596 /nfs/dbraw/zinc/41/15/96/463411596.db2.gz HXHKGVBMBYPVAR-HNNXBMFYSA-N 0 0 331.397 2.253 40 0 EEABRN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc(O)c2)NC(=O)N1 ZINC000036612712 463437639 /nfs/dbraw/zinc/43/76/39/463437639.db2.gz UTPFTRWQHIZOQN-QGZVFWFLSA-N 0 0 337.379 2.337 40 0 EEABRN C[C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000038581945 463447686 /nfs/dbraw/zinc/44/76/86/463447686.db2.gz URECFMLYXNGWIZ-DZGCQCFKSA-N 0 0 339.461 2.093 40 0 EEABRN C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000040140941 463454769 /nfs/dbraw/zinc/45/47/69/463454769.db2.gz UBRXYSBNXURXIW-KZULUSFZSA-N 0 0 341.363 2.475 40 0 EEABRN CN1CCc2nc(NC(=O)[C@@H]3COc4ccccc4C3)sc2C1 ZINC000040468153 463455929 /nfs/dbraw/zinc/45/59/29/463455929.db2.gz GIOKOERPYULINW-LBPRGKRZSA-N 0 0 329.425 2.321 40 0 EEABRN CC1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2Cl)CC1 ZINC000057332371 463479428 /nfs/dbraw/zinc/47/94/28/463479428.db2.gz NULBSTCHKXFXSF-GFCCVEGCSA-N 0 0 335.835 2.415 40 0 EEABRN CCn1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000057355373 463480950 /nfs/dbraw/zinc/48/09/50/463480950.db2.gz GGOMYOFZJUBJQO-RHSMWYFYSA-N 0 0 326.400 2.451 40 0 EEABRN COc1ccc(OC)c2c(=O)c(I)c(C)[nH]c12 ZINC000072207177 463482090 /nfs/dbraw/zinc/48/20/90/463482090.db2.gz IDMFXWXYYCEVEZ-UHFFFAOYSA-N 0 0 345.136 2.458 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c(C)o1 ZINC000081756673 463487810 /nfs/dbraw/zinc/48/78/10/463487810.db2.gz BUCNCNQUNVOURM-QLJPJBMISA-N 0 0 348.424 2.159 40 0 EEABRN CN1C[C@@H](NC(=O)c2ccccc2NCc2cccnc2)CCC1=O ZINC000081785391 463491999 /nfs/dbraw/zinc/49/19/99/463491999.db2.gz FSMXMZPUTMGRNU-HNNXBMFYSA-N 0 0 338.411 2.044 40 0 EEABRN COC(=O)[C@H]1CCCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000162619367 463525619 /nfs/dbraw/zinc/52/56/19/463525619.db2.gz DQIKGZOEXFQOJC-JKSUJKDBSA-N 0 0 328.416 2.479 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(SC)c(OC)c1 ZINC000058219924 463555571 /nfs/dbraw/zinc/55/55/71/463555571.db2.gz YDZYICGLHAHMNY-CYBMUJFWSA-N 0 0 338.454 2.383 40 0 EEABRN COC(=O)c1ccc(CN2CCN(Cc3csc(C)n3)CC2)o1 ZINC000073368570 463607406 /nfs/dbraw/zinc/60/74/06/463607406.db2.gz KZUPAGNFHWRXKB-UHFFFAOYSA-N 0 0 335.429 2.149 40 0 EEABRN Cc1cccc(C)c1CCNC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000164596931 463627369 /nfs/dbraw/zinc/62/73/69/463627369.db2.gz GMYHNLAEOCLLDZ-UHFFFAOYSA-N 0 0 341.459 2.111 40 0 EEABRN CCOC(=O)CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)C1CC1 ZINC000058864117 463628740 /nfs/dbraw/zinc/62/87/40/463628740.db2.gz QGXFRNHDIFWIOT-UHFFFAOYSA-N 0 0 336.363 2.342 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(C(=O)C(C)C)CC2)c1C ZINC000044871757 463697867 /nfs/dbraw/zinc/69/78/67/463697867.db2.gz ZXNGLIDSMJPLNE-AWEZNQCLSA-N 0 0 347.459 2.206 40 0 EEABRN CCCn1nc(C(=O)n2cccc/c2=N\C2CCCCC2)ccc1=O ZINC000044896831 463699702 /nfs/dbraw/zinc/69/97/02/463699702.db2.gz FSIROCOFQBFLPX-LVZFUZTISA-N 0 0 340.427 2.377 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC(Cc3ccncc3)CC2)c1C ZINC000257294846 463766260 /nfs/dbraw/zinc/76/62/60/463766260.db2.gz QVZJXGAQLKMDQC-UHFFFAOYSA-N 0 0 348.472 2.250 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)n1 ZINC000257294301 463766416 /nfs/dbraw/zinc/76/64/16/463766416.db2.gz QTLVYCWJLBRBJH-CQSZACIVSA-N 0 0 330.388 2.156 40 0 EEABRN O=C(CC1CCOCC1)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257298197 463767683 /nfs/dbraw/zinc/76/76/83/463767683.db2.gz RKPCITXPDIIHDE-OAHLLOKOSA-N 0 0 328.416 2.481 40 0 EEABRN Cc1nccc(CN2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)n1 ZINC000257304407 463770139 /nfs/dbraw/zinc/77/01/39/463770139.db2.gz SLMUYKXRNMWTBH-QZTJIDSGSA-N 0 0 331.391 2.328 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000257335927 463782217 /nfs/dbraw/zinc/78/22/17/463782217.db2.gz YMLRHBJOHFRHAC-CQSZACIVSA-N 0 0 327.384 2.477 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)s1 ZINC000257337705 463784311 /nfs/dbraw/zinc/78/43/11/463784311.db2.gz YUBBIJBIPWUDMT-ZDUSSCGKSA-N 0 0 333.413 2.026 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257337793 463784473 /nfs/dbraw/zinc/78/44/73/463784473.db2.gz YUKPQOFXJJOFKT-CQSZACIVSA-N 0 0 338.415 2.123 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260800769 463792300 /nfs/dbraw/zinc/79/23/00/463792300.db2.gz WSYHMUHOJBIUEZ-QWRGUYRKSA-N 0 0 348.415 2.424 40 0 EEABRN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000185543319 463840229 /nfs/dbraw/zinc/84/02/29/463840229.db2.gz AWYOKCDKYRIKIL-IUODEOHRSA-N 0 0 336.775 2.103 40 0 EEABRN CCSCc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)no1 ZINC000185750987 463873164 /nfs/dbraw/zinc/87/31/64/463873164.db2.gz JKIFMJILMOIKSO-LBPRGKRZSA-N 0 0 347.444 2.117 40 0 EEABRN Cn1nc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)nc1N ZINC000283650335 463960703 /nfs/dbraw/zinc/96/07/03/463960703.db2.gz BDGKGOCUDJIQHB-LLVKDONJSA-N 0 0 330.417 2.451 40 0 EEABRN COCc1cccc(CC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000186295442 463969934 /nfs/dbraw/zinc/96/99/34/463969934.db2.gz KEHXNPLDZHBUTK-MRXNPFEDSA-N 0 0 342.443 2.222 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000195079638 463987282 /nfs/dbraw/zinc/98/72/82/463987282.db2.gz IGKFLWQQUCKKFP-UWVGGRQHSA-N 0 0 336.251 2.464 40 0 EEABRN CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000195535560 464073136 /nfs/dbraw/zinc/07/31/36/464073136.db2.gz SHVABOGRMBHZLE-AGQHMROBSA-N 0 0 343.537 2.240 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052246 464109081 /nfs/dbraw/zinc/10/90/81/464109081.db2.gz YMEGOAVOQZMSHP-BZSNNMDCSA-N 0 0 331.437 2.279 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 ZINC000223275075 464139082 /nfs/dbraw/zinc/13/90/82/464139082.db2.gz WFHLZKJUUUFYPX-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223675975 464145271 /nfs/dbraw/zinc/14/52/71/464145271.db2.gz HYWYSTWVXZIXPP-HUUCEWRRSA-N 0 0 331.397 2.210 40 0 EEABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C ZINC000223612825 464145431 /nfs/dbraw/zinc/14/54/31/464145431.db2.gz JVMDJANXXHDVGE-DLBZAZTESA-N 0 0 344.484 2.392 40 0 EEABRN Cc1cc(CNC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000224228101 464149984 /nfs/dbraw/zinc/14/99/84/464149984.db2.gz BUACJCPXEIJPCJ-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN CC(C)N(C)c1ccc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)cn1 ZINC000225394877 464156687 /nfs/dbraw/zinc/15/66/87/464156687.db2.gz WHJPVDZQFYQRMI-LJQANCHMSA-N 0 0 343.475 2.407 40 0 EEABRN COc1ccc(O[C@@H]2CCN(C(=O)NC3CCCCCC3)C2)nn1 ZINC000225440979 464159192 /nfs/dbraw/zinc/15/91/92/464159192.db2.gz YMPTVMXDIYEIPB-CQSZACIVSA-N 0 0 334.420 2.371 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)C2)nn1 ZINC000225429817 464159469 /nfs/dbraw/zinc/15/94/69/464159469.db2.gz MFVSCWDFDTYRRC-YJBOKZPZSA-N 0 0 339.395 2.079 40 0 EEABRN C[C@@H](CCNC(=O)N1CCOC[C@@H]1c1ncnn1C)CC(C)(C)C ZINC000225461412 464162293 /nfs/dbraw/zinc/16/22/93/464162293.db2.gz BWSUZVUVRHYFSK-UONOGXRCSA-N 0 0 337.468 2.360 40 0 EEABRN Cc1csc([C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000225477649 464164313 /nfs/dbraw/zinc/16/43/13/464164313.db2.gz YSIVVSTYQDORDY-CQSZACIVSA-N 0 0 345.472 2.462 40 0 EEABRN Cn1cc2c(n1)CCC[C@H]2C(=O)N(CCC1CCCCC1)CC(N)=O ZINC000225605471 464175249 /nfs/dbraw/zinc/17/52/49/464175249.db2.gz NHQAHQFZWKFZLP-OAHLLOKOSA-N 0 0 346.475 2.124 40 0 EEABRN COc1nn(C)cc1C(=O)NC[C@@H](OC)c1ccc(Cl)s1 ZINC000225700841 464180672 /nfs/dbraw/zinc/18/06/72/464180672.db2.gz QIUNTGRYYVKEDI-SECBINFHSA-N 0 0 329.809 2.261 40 0 EEABRN CCOC(=O)c1cnc(-c2cccc(N)c2)nc1NC[C@@H]1CCCO1 ZINC000226104050 464183812 /nfs/dbraw/zinc/18/38/12/464183812.db2.gz YJPFUVAZBAOXEE-AWEZNQCLSA-N 0 0 342.399 2.493 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)n1cncn1 ZINC000180341445 464290655 /nfs/dbraw/zinc/29/06/55/464290655.db2.gz NOMQXYDGELFNIJ-QWRGUYRKSA-N 0 0 337.786 2.027 40 0 EEABRN O=S(=O)(c1cccc2cnccc21)N1CCCC[C@H]1c1nc[nH]n1 ZINC000180934489 464423749 /nfs/dbraw/zinc/42/37/49/464423749.db2.gz VJCHTDOXGPPCNH-AWEZNQCLSA-N 0 0 343.412 2.269 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000240423846 464446946 /nfs/dbraw/zinc/44/69/46/464446946.db2.gz FRJYCLAQBYUTCT-PSFFPDNBSA-N 0 0 331.412 2.253 40 0 EEABRN CCCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000244033410 464460469 /nfs/dbraw/zinc/46/04/69/464460469.db2.gz SUIRWQUPKNUQSL-UHFFFAOYSA-N 0 0 336.816 2.161 40 0 EEABRN Cc1cc(OC2CN(C(=O)Cc3ccsc3)C2)cc(=O)n1C1CC1 ZINC000245093507 464466533 /nfs/dbraw/zinc/46/65/33/464466533.db2.gz RRIPLHSPZDVSJS-UHFFFAOYSA-N 0 0 344.436 2.385 40 0 EEABRN Cc1nc2sccn2c(=O)c1CCN1C[C@@H](O)Cc2ccccc21 ZINC000285146720 464467100 /nfs/dbraw/zinc/46/71/00/464467100.db2.gz BAQOILUTKSKHBW-AWEZNQCLSA-N 0 0 341.436 2.031 40 0 EEABRN O=S(=O)(NCC1(CO)CCC1)c1ccc(CC(F)(F)F)cc1 ZINC000190143703 464602872 /nfs/dbraw/zinc/60/28/72/464602872.db2.gz LFHWGDZQXCVKRZ-UHFFFAOYSA-N 0 0 337.363 2.232 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247825068 464707532 /nfs/dbraw/zinc/70/75/32/464707532.db2.gz IXFHUGBOSNDXEW-AWEZNQCLSA-N 0 0 337.441 2.423 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000248000771 464721508 /nfs/dbraw/zinc/72/15/08/464721508.db2.gz FPHZIUSWKWOVEW-CYBMUJFWSA-N 0 0 345.424 2.466 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 ZINC000248053102 464727358 /nfs/dbraw/zinc/72/73/58/464727358.db2.gz TTXUYZIJMFHSTE-INIZCTEOSA-N 0 0 344.415 2.411 40 0 EEABRN CCc1ccc([C@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)cc1 ZINC000190915187 464744872 /nfs/dbraw/zinc/74/48/72/464744872.db2.gz QDTJSWCSNIUZPO-QGZVFWFLSA-N 0 0 326.396 2.161 40 0 EEABRN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000192576996 464949876 /nfs/dbraw/zinc/94/98/76/464949876.db2.gz YFKUKHFPQDIMGD-DOMZBBRYSA-N 0 0 330.436 2.172 40 0 EEABRN CC[C@@H](C)[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)C(F)(F)F ZINC000252503486 464972288 /nfs/dbraw/zinc/97/22/88/464972288.db2.gz VDLBTFYWYGSPFE-BXKDBHETSA-N 0 0 335.370 2.274 40 0 EEABRN CC[C@H](C(=O)NCc1ccc(C(C)=O)c(C)n1)N1CCO[C@H](CC)C1 ZINC000252509337 464975929 /nfs/dbraw/zinc/97/59/29/464975929.db2.gz YLMHAPCOWZWDSA-SJLPKXTDSA-N 0 0 347.459 2.098 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCO[C@H]1C1CC1 ZINC000253415974 465005013 /nfs/dbraw/zinc/00/50/13/465005013.db2.gz VADCWMCEFCLNSR-ROUUACIJSA-N 0 0 340.427 2.282 40 0 EEABRN Cc1n[nH]cc1CN1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000253418761 465006944 /nfs/dbraw/zinc/00/69/44/465006944.db2.gz RCLYOPDRAUTESS-CQSZACIVSA-N 0 0 349.232 2.154 40 0 EEABRN O=C(c1ccnn1-c1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000253421323 465009597 /nfs/dbraw/zinc/00/95/97/465009597.db2.gz UQAGTUSNJOHOOS-HNNXBMFYSA-N 0 0 336.399 2.016 40 0 EEABRN CCCNc1nnc(S[C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000253429241 465012279 /nfs/dbraw/zinc/01/22/79/465012279.db2.gz QCFMHDVISHWNIW-LLVKDONJSA-N 0 0 342.490 2.232 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@H]2c3ccccc3S(=O)(=O)[C@H]2C1 ZINC000306144869 466496461 /nfs/dbraw/zinc/49/64/61/466496461.db2.gz ZQXPZAHLORJWNR-WMZOPIPTSA-N 0 0 341.432 2.319 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408595431 466681942 /nfs/dbraw/zinc/68/19/42/466681942.db2.gz QEKAVABPTWFCCQ-STQMWFEESA-N 0 0 342.461 2.057 40 0 EEABRN NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2Cl)cc1 ZINC000408756689 466683448 /nfs/dbraw/zinc/68/34/48/466683448.db2.gz IXTHZNIVTQZRLL-UHFFFAOYSA-N 0 0 334.788 2.674 40 0 EEABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccoc3)C2=O)c1 ZINC000409087630 466685678 /nfs/dbraw/zinc/68/56/78/466685678.db2.gz JFRYZJGUJPZFHL-RIYZIHGNSA-N 0 0 325.324 2.119 40 0 EEABRN COC(=O)c1cn([C@H](C)C(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000409207244 466686393 /nfs/dbraw/zinc/68/63/93/466686393.db2.gz UMTBUTASVLRDAH-CHWSQXEVSA-N 0 0 330.384 2.284 40 0 EEABRN O=C(NCCc1nc2ccccc2[nH]1)[C@H](O)Cc1cccc(Cl)c1 ZINC000390833314 467414271 /nfs/dbraw/zinc/41/42/71/467414271.db2.gz FYYINHCXKPQZGO-MRXNPFEDSA-N 0 0 343.814 2.479 40 0 EEABRN COc1ccc([C@@H](NC(=O)Nc2cnc(N(C)C)nc2)C2CC2)cn1 ZINC000529032545 467796650 /nfs/dbraw/zinc/79/66/50/467796650.db2.gz VIBXWDWDFHGBFR-HNNXBMFYSA-N 0 0 342.403 2.219 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000575406214 468142638 /nfs/dbraw/zinc/14/26/38/468142638.db2.gz VZIBIKGPFZPFEU-ZTFGCOKTSA-N 0 0 325.412 2.467 40 0 EEABRN C[C@]1(NC(=S)Nc2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000575425787 468143766 /nfs/dbraw/zinc/14/37/66/468143766.db2.gz WLRBKTFEBMEDJE-ZDUSSCGKSA-N 0 0 341.483 2.160 40 0 EEABRN O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)C1CCCC1 ZINC000575617736 468150482 /nfs/dbraw/zinc/15/04/82/468150482.db2.gz WLCFCTQEAOMXDC-UHFFFAOYSA-N 0 0 336.819 2.367 40 0 EEABRN C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)CC1CC1 ZINC000585096857 468964335 /nfs/dbraw/zinc/96/43/35/468964335.db2.gz BQVUYFRKGZGWRA-CYBMUJFWSA-N 0 0 344.459 2.188 40 0 EEABRN Cc1c(CN2CCn3c(CCOCC4CC4)cnc3[C@@H]2C)cnn1C ZINC000585096801 468964776 /nfs/dbraw/zinc/96/47/76/468964776.db2.gz AWGRWLLHADZWCA-HNNXBMFYSA-N 0 0 343.475 2.471 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000585101036 468968705 /nfs/dbraw/zinc/96/87/05/468968705.db2.gz YIERNZHQARMJHE-LADRWXRNSA-N 0 0 345.418 2.171 40 0 EEABRN CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccoc1)C2 ZINC000585102835 468970253 /nfs/dbraw/zinc/97/02/53/468970253.db2.gz KALOXTMFQWDFMA-HNNXBMFYSA-N 0 0 341.411 2.290 40 0 EEABRN O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2(F)CCC2)O1 ZINC000585108732 468974093 /nfs/dbraw/zinc/97/40/93/468974093.db2.gz NJCBAPVCLMITAF-RBSFLKMASA-N 0 0 338.423 2.086 40 0 EEABRN Cc1cc(C)cc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)c1 ZINC000585112390 468975233 /nfs/dbraw/zinc/97/52/33/468975233.db2.gz PEQTXZQOVLLZDR-SFHVURJKSA-N 0 0 341.459 2.328 40 0 EEABRN O=C(NCCn1nc(C2CC2)ccc1=O)C1(c2ccc(F)cc2)CC1 ZINC000585150005 468994352 /nfs/dbraw/zinc/99/43/52/468994352.db2.gz XIMHBSMMQSBVPU-UHFFFAOYSA-N 0 0 341.386 2.108 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2ncc3ccccc32)n1 ZINC000585181466 468996167 /nfs/dbraw/zinc/99/61/67/468996167.db2.gz UEQBAAWFZSNQDP-INIZCTEOSA-N 0 0 339.399 2.058 40 0 EEABRN CC(=O)N1CCC[C@H](NC(=O)C2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000585269575 468997887 /nfs/dbraw/zinc/99/78/87/468997887.db2.gz ZSRSGXUFFJMODN-OALUTQOASA-N 0 0 344.455 2.151 40 0 EEABRN OC[C@@]1(Cc2ccc(F)cc2)CN(Cc2ccc(F)cn2)CCO1 ZINC000585269512 468998035 /nfs/dbraw/zinc/99/80/35/468998035.db2.gz XTEXGHUIZVFNQZ-GOSISDBHSA-N 0 0 334.366 2.166 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)nc1 ZINC000585275572 468999174 /nfs/dbraw/zinc/99/91/74/468999174.db2.gz DCJVHJAZMSBIAO-LJQANCHMSA-N 0 0 344.386 2.114 40 0 EEABRN O=C(c1cnc(C2CC2)nc1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280939 469008177 /nfs/dbraw/zinc/00/81/77/469008177.db2.gz QPZGTSHMVIWEOJ-AEFFLSMTSA-N 0 0 337.423 2.420 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CC3CCOCC3)[C@H]2O)cc1 ZINC000585286383 469009287 /nfs/dbraw/zinc/00/92/87/469009287.db2.gz XENAWGXNWMQFQO-YVWKXTFCSA-N 0 0 347.455 2.446 40 0 EEABRN O=C(CCNC(=O)c1ccco1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186895047 534428114 /nfs/dbraw/zinc/42/81/14/534428114.db2.gz BCOGXDGRLKZIHO-LJQANCHMSA-N 0 0 340.379 2.058 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000248244190 521744582 /nfs/dbraw/zinc/74/45/82/521744582.db2.gz IRSCIXDXCXFQBV-OSAQELSMSA-N 0 0 336.382 2.443 40 0 EEABRN COc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000089987325 524845230 /nfs/dbraw/zinc/84/52/30/524845230.db2.gz WEGUIVIWCNOUOM-CYBMUJFWSA-N 0 0 346.431 2.393 40 0 EEABRN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]12 ZINC000257209251 536300050 /nfs/dbraw/zinc/30/00/50/536300050.db2.gz BPPZEUROZCHEIP-OWCLPIDISA-N 0 0 342.468 2.454 40 0 EEABRN CNC(=O)[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000247957567 536397453 /nfs/dbraw/zinc/39/74/53/536397453.db2.gz PENSLWCKIDPBMX-CYBMUJFWSA-N 0 0 340.408 2.041 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cncc(-c2ccnn2C(C)C)n1 ZINC000257210889 536765898 /nfs/dbraw/zinc/76/58/98/536765898.db2.gz BWOAEYHCEHQVHA-HNNXBMFYSA-N 0 0 329.404 2.231 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2nc(C)c[nH]2)C1 ZINC000257229945 536797106 /nfs/dbraw/zinc/79/71/06/536797106.db2.gz GACMHSXJHMUITQ-MRXNPFEDSA-N 0 0 329.400 2.178 40 0 EEABRN COc1ccc(O[C@@H]2CCN(C(=O)CCc3ccccc3)C2)nn1 ZINC000225435152 536858175 /nfs/dbraw/zinc/85/81/75/536858175.db2.gz HVFPCUTVBVFDFK-OAHLLOKOSA-N 0 0 327.384 2.098 40 0 EEABRN c1[nH]nc2ncnc(N3Cc4ccccc4OC4(CCOCC4)C3)c12 ZINC000895576213 684646417 /nfs/dbraw/zinc/64/64/17/684646417.db2.gz WHYMGJLDGIRVHG-UHFFFAOYSA-N 0 0 337.383 2.301 40 0 EEABRN Cn1cc(CC(=O)N2CCOc3c(F)cc(F)cc32)c(Cl)n1 ZINC000585141344 1184703415 /nfs/dbraw/zinc/70/34/15/1184703415.db2.gz UGUJLLYUBKXDRR-UHFFFAOYSA-N 0 0 327.718 2.320 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)c(C)s1 ZINC000006680032 290623970 /nfs/dbraw/zinc/62/39/70/290623970.db2.gz CJUGJQOBNHEAJB-UHFFFAOYSA-N 0 0 330.475 2.417 40 0 EEABRN C[C@H]1CN(c2ncc(Br)cn2)CC2(CCOCC2)O1 ZINC000253419253 300302003 /nfs/dbraw/zinc/30/20/03/300302003.db2.gz DSMVWMYYCFJGCU-JTQLQIEISA-N 0 0 328.210 2.013 40 0 EEABRN CN(C)c1ccccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000072682525 282301059 /nfs/dbraw/zinc/30/10/59/282301059.db2.gz JQQIHVXJZAOTPQ-UHFFFAOYSA-N 0 0 325.338 2.379 40 0 EEABRN Cc1nn(CC(=O)N2CCCCC2)c(=O)c2cc3ccsc3n21 ZINC000012114198 201826563 /nfs/dbraw/zinc/82/65/63/201826563.db2.gz OXDXMOALWZOMMA-UHFFFAOYSA-N 0 0 330.413 2.032 40 0 EEABRN O=C(c1cccs1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000012182269 201829455 /nfs/dbraw/zinc/82/94/55/201829455.db2.gz BFTCKUZVNZFBOT-UHFFFAOYSA-N 0 0 340.408 2.330 40 0 EEABRN CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 ZINC000016637374 201977147 /nfs/dbraw/zinc/97/71/47/201977147.db2.gz CWBBABHLPYQVGU-LBPRGKRZSA-N 0 0 330.425 2.141 40 0 EEABRN Cn1nccc1S(=O)(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000253428479 282872755 /nfs/dbraw/zinc/87/27/55/282872755.db2.gz LCNRYNXSKXZSLN-LBPRGKRZSA-N 0 0 339.392 2.140 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)c2cscc2C(F)(F)F)cn1 ZINC000585114121 539980732 /nfs/dbraw/zinc/98/07/32/539980732.db2.gz AFLFYFVTCFFXNP-LBPRGKRZSA-N 0 0 333.335 2.138 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccnc3)n2)cc1 ZINC000019135465 201999456 /nfs/dbraw/zinc/99/94/56/201999456.db2.gz OTYVARVDKXTHQT-QGZVFWFLSA-N 0 0 348.410 2.348 40 0 EEABRN O=C(C1CC1)N1[C@@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 ZINC000019404635 202006856 /nfs/dbraw/zinc/00/68/56/202006856.db2.gz IYWJFZVBCWWGHY-MCPYQZEQSA-N 0 0 325.412 2.331 40 0 EEABRN COc1ccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)cc1C ZINC000019571361 202012315 /nfs/dbraw/zinc/01/23/15/202012315.db2.gz WIFYMDYJMLPFDE-UHFFFAOYSA-N 0 0 326.396 2.153 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019573576 202012443 /nfs/dbraw/zinc/01/24/43/202012443.db2.gz RFRSLNZBQOCMIM-OAHLLOKOSA-N 0 0 331.441 2.260 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020730540 202053823 /nfs/dbraw/zinc/05/38/23/202053823.db2.gz AJMACYPRLQPIQV-LMMKCTJWSA-N 0 0 338.407 2.056 40 0 EEABRN CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235447 202081155 /nfs/dbraw/zinc/08/11/55/202081155.db2.gz WJODRDXRGVVSBL-UHFFFAOYSA-N 0 0 328.412 2.493 40 0 EEABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000022241602 202082678 /nfs/dbraw/zinc/08/26/78/202082678.db2.gz PUCHNUPGXAJCCC-UHFFFAOYSA-N 0 0 335.473 2.378 40 0 EEABRN CC(=O)NCCNC(=O)c1ccc(SCc2cscn2)cc1 ZINC000040049874 202166660 /nfs/dbraw/zinc/16/66/60/202166660.db2.gz WZOLGBAOEKXMQS-UHFFFAOYSA-N 0 0 335.454 2.301 40 0 EEABRN CN1C(SCc2cccc(Cl)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508725 202226606 /nfs/dbraw/zinc/22/66/06/202226606.db2.gz MPSQXTNDESPRKD-NWDGAFQWSA-N 0 0 330.862 2.040 40 0 EEABRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1COCCO1 ZINC000070970716 202339032 /nfs/dbraw/zinc/33/90/32/202339032.db2.gz VTJJDRIPHFCOPL-CYBMUJFWSA-N 0 0 341.289 2.245 40 0 EEABRN O=c1ccn(CCCN2CCOCC2)c2ccnc(C(F)(F)F)c12 ZINC000036610857 202326165 /nfs/dbraw/zinc/32/61/65/202326165.db2.gz RBNAYFJEDMVCFG-UHFFFAOYSA-N 0 0 341.333 2.138 40 0 EEABRN Cn1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cn1 ZINC000071195793 202342886 /nfs/dbraw/zinc/34/28/86/202342886.db2.gz MMJUJMMBJVHBGV-MRXNPFEDSA-N 0 0 334.383 2.080 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1cccs1 ZINC000072238089 202356477 /nfs/dbraw/zinc/35/64/77/202356477.db2.gz ZHEYZRJNYWEPIA-CJNGLKHVSA-N 0 0 346.456 2.061 40 0 EEABRN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)cn1 ZINC000072241833 202358124 /nfs/dbraw/zinc/35/81/24/202358124.db2.gz PQAORPCRDMSLJR-GOEBONIOSA-N 0 0 330.363 2.107 40 0 EEABRN CCn1nc(C)c2nnn(Cc3ccc(Br)cc3)c(=O)c21 ZINC000072265378 202359661 /nfs/dbraw/zinc/35/96/61/202359661.db2.gz ABMRHUGZCCNYBD-UHFFFAOYSA-N 0 0 348.204 2.127 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)c3cccc(C)n3)CC2)n1 ZINC000075391081 202380532 /nfs/dbraw/zinc/38/05/32/202380532.db2.gz PVHMURLFRUUYMY-UHFFFAOYSA-N 0 0 331.445 2.156 40 0 EEABRN O=C(CSCc1ccc(F)cc1Cl)N[C@@H]1CCCCNC1=O ZINC000078555526 202396992 /nfs/dbraw/zinc/39/69/92/202396992.db2.gz JFCSHUPCXZKVHC-CYBMUJFWSA-N 0 0 344.839 2.497 40 0 EEABRN Cc1ccoc1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000078609180 202397445 /nfs/dbraw/zinc/39/74/45/202397445.db2.gz RRNNSNCMDAJLDU-UHFFFAOYSA-N 0 0 345.380 2.430 40 0 EEABRN CCN1C[C@@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1=O ZINC000078608839 202397566 /nfs/dbraw/zinc/39/75/66/202397566.db2.gz KVBHGRQQCNLWTP-NSHDSACASA-N 0 0 348.403 2.075 40 0 EEABRN C[C@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000076480364 202388703 /nfs/dbraw/zinc/38/87/03/202388703.db2.gz NPRAOIRRDCTTAD-MNOVXSKESA-N 0 0 348.415 2.143 40 0 EEABRN CC(=O)NC1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000077445527 202392462 /nfs/dbraw/zinc/39/24/62/202392462.db2.gz WDBXIEWQIMFSRQ-UHFFFAOYSA-N 0 0 341.415 2.220 40 0 EEABRN CC(C)OCCCNC(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC000079349210 202429397 /nfs/dbraw/zinc/42/93/97/202429397.db2.gz JUDIBWLETJPEIV-INIZCTEOSA-N 0 0 330.375 2.287 40 0 EEABRN CO[C@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)CC[C@@H]1C ZINC000190212975 238300525 /nfs/dbraw/zinc/30/05/25/238300525.db2.gz ZMJFROLASKYMIJ-HOCLYGCPSA-N 0 0 343.431 2.410 40 0 EEABRN COc1ncncc1NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000274315291 201268694 /nfs/dbraw/zinc/26/86/94/201268694.db2.gz XIBUUKQDPKYAHN-LLVKDONJSA-N 0 0 336.392 2.071 40 0 EEABRN CCc1ccc(S(=O)(=O)NC2(c3nc[nH]n3)CCC2)cc1CC ZINC000285749059 201332609 /nfs/dbraw/zinc/33/26/09/201332609.db2.gz VLLPNJTUEOATOR-UHFFFAOYSA-N 0 0 334.445 2.287 40 0 EEABRN COc1cc(OC)c(N[C@@H]2CCN(C)C2=O)cc1Br ZINC000155614170 201397693 /nfs/dbraw/zinc/39/76/93/201397693.db2.gz NGLMPWHMSPCNGF-SECBINFHSA-N 0 0 329.194 2.109 40 0 EEABRN CC(C)c1nc(C2(NC(=O)CCc3cncn3C)CCCC2)no1 ZINC000193436252 240163158 /nfs/dbraw/zinc/16/31/58/240163158.db2.gz CWMVYBVVHFWBSO-UHFFFAOYSA-N 0 0 331.420 2.445 40 0 EEABRN CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193803387 240315181 /nfs/dbraw/zinc/31/51/81/240315181.db2.gz JGESCGJDNDFLSB-VIFPVBQESA-N 0 0 343.342 2.271 40 0 EEABRN CCOCCNC(=O)COc1cc(Br)cc(F)c1F ZINC000195445332 240961570 /nfs/dbraw/zinc/96/15/70/240961570.db2.gz XQFQJRPHXPEHGB-UHFFFAOYSA-N 0 0 338.148 2.259 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000195553101 241000844 /nfs/dbraw/zinc/00/08/44/241000844.db2.gz IKECRPQBIBHDAQ-NRUUGDAUSA-N 0 0 347.381 2.395 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000282553004 294283136 /nfs/dbraw/zinc/28/31/36/294283136.db2.gz NXJHSXXZHJAUII-CYBMUJFWSA-N 0 0 345.436 2.171 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)c3nccc4ccccc43)CC2)n[nH]1 ZINC000225560204 241928286 /nfs/dbraw/zinc/92/82/86/241928286.db2.gz VSHQMPQZDNFTKK-UHFFFAOYSA-N 0 0 349.394 2.077 40 0 EEABRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cnns1 ZINC000242155923 243012063 /nfs/dbraw/zinc/01/20/63/243012063.db2.gz WUJFOACJPPZADI-ZBFHGGJFSA-N 0 0 335.404 2.181 40 0 EEABRN O=c1ccc(Br)cn1Cc1ncn(-c2ccccc2)n1 ZINC000092255492 203078186 /nfs/dbraw/zinc/07/81/86/203078186.db2.gz PKBGBWFVMPOPBJ-UHFFFAOYSA-N 0 0 331.173 2.240 40 0 EEABRN C[C@H]1c2nc(CC(=O)Nc3cccnc3)cn2CCN1CC1CC1 ZINC000253590936 244029084 /nfs/dbraw/zinc/02/90/84/244029084.db2.gz HSMLVKKTJMDXIM-ZDUSSCGKSA-N 0 0 325.416 2.246 40 0 EEABRN COc1cccc(CN2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202110 244122155 /nfs/dbraw/zinc/12/21/55/244122155.db2.gz AKMKJTABVXHXEY-IBGZPJMESA-N 0 0 340.427 2.404 40 0 EEABRN CCc1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000257202518 244124431 /nfs/dbraw/zinc/12/44/31/244124431.db2.gz AMEVVLPCIGGHIB-DJIMGWMZSA-N 0 0 330.384 2.328 40 0 EEABRN CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cc(F)cc(F)c1 ZINC000257211660 244152766 /nfs/dbraw/zinc/15/27/66/244152766.db2.gz BZTYQTJCKDCFBV-SFHVURJKSA-N 0 0 346.381 2.334 40 0 EEABRN Cc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c(C)c1 ZINC000020236702 212113266 /nfs/dbraw/zinc/11/32/66/212113266.db2.gz PJLACXAZRQPBMY-UHFFFAOYSA-N 0 0 338.473 2.328 40 0 EEABRN Cc1cc(-c2nccn2C)nc(C2CCN(c3ncccn3)CC2)n1 ZINC000257220006 244180125 /nfs/dbraw/zinc/18/01/25/244180125.db2.gz DJEHNBCOPYGBIU-UHFFFAOYSA-N 0 0 335.415 2.360 40 0 EEABRN Cc1cccnc1Nc1nccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072377666 203209387 /nfs/dbraw/zinc/20/93/87/203209387.db2.gz CHDSISXGTVSXCL-CYBMUJFWSA-N 0 0 347.444 2.063 40 0 EEABRN c1cnc(N2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)nc1 ZINC000072368931 203209684 /nfs/dbraw/zinc/20/96/84/203209684.db2.gz WIHRDMGPASXQRL-CQSZACIVSA-N 0 0 348.414 2.259 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@@H]2CCN(c3ncccn3)C2)n1 ZINC000072382747 203211065 /nfs/dbraw/zinc/21/10/65/203211065.db2.gz NEMAAIQHBSMUMI-CYBMUJFWSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1nc([C@@H]2CN(C(=O)c3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387789 203211589 /nfs/dbraw/zinc/21/15/89/203211589.db2.gz IAYOTXOTXWMVQD-INIZCTEOSA-N 0 0 326.400 2.065 40 0 EEABRN O=C(COc1cccc(F)c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257234939 244225871 /nfs/dbraw/zinc/22/58/71/244225871.db2.gz GVRPZCISWAIOET-GFCCVEGCSA-N 0 0 331.347 2.106 40 0 EEABRN O=C(c1cccc2ncccc21)N1CCC2(CC1)OCCC[C@H]2O ZINC000257239498 244237972 /nfs/dbraw/zinc/23/79/72/244237972.db2.gz HPNPJKGDDMCAJF-QGZVFWFLSA-N 0 0 326.396 2.381 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 ZINC000072350602 203204947 /nfs/dbraw/zinc/20/49/47/203204947.db2.gz AGYMWFLAJDTTAM-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1cccc(Nc2cccc([C@H]3CCCN(CC(N)=O)C3)n2)n1 ZINC000257246658 244259084 /nfs/dbraw/zinc/25/90/84/244259084.db2.gz IVDJFOOTJUITAT-AWEZNQCLSA-N 0 0 325.416 2.193 40 0 EEABRN CCCn1nccc1-c1ncccc1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000257250601 244268886 /nfs/dbraw/zinc/26/88/86/244268886.db2.gz JNGBRVCTTJPFHA-CQSZACIVSA-N 0 0 348.472 2.179 40 0 EEABRN Cc1nc(N)cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257256762 244283321 /nfs/dbraw/zinc/28/33/21/244283321.db2.gz KMTPTGXTBXEDRS-OAHLLOKOSA-N 0 0 330.363 2.249 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCCC3)CCN2C)c1 ZINC000257276689 244395881 /nfs/dbraw/zinc/39/58/81/244395881.db2.gz NUSVLXFHEWHCTP-SFHVURJKSA-N 0 0 343.471 2.442 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257277692 244398182 /nfs/dbraw/zinc/39/81/82/244398182.db2.gz NZADHWVYNVEWKY-OAHLLOKOSA-N 0 0 330.388 2.166 40 0 EEABRN CC(=O)N[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093545868 203324437 /nfs/dbraw/zinc/32/44/37/203324437.db2.gz RLDJYNMZKAONHK-ZDUSSCGKSA-N 0 0 341.249 2.428 40 0 EEABRN Cc1ccc([C@@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 ZINC000019367066 212023298 /nfs/dbraw/zinc/02/32/98/212023298.db2.gz LLPFGJZXGOTFAS-SFHVURJKSA-N 0 0 342.491 2.364 40 0 EEABRN O=C(CC1CC1)N1CC[C@H]2C(=O)N(c3ccccc3)CCO[C@H]2C1 ZINC000096107127 203834724 /nfs/dbraw/zinc/83/47/24/203834724.db2.gz FVGHGFLQDBCZDN-SJORKVTESA-N 0 0 328.412 2.067 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 ZINC000096186509 203854503 /nfs/dbraw/zinc/85/45/03/203854503.db2.gz IQYGLEXJHSKVDH-KBPBESRZSA-N 0 0 344.440 2.200 40 0 EEABRN Cn1cc(CN2CCc3c(COCc4ccncc4)cncc3C2)cn1 ZINC000096189431 203858072 /nfs/dbraw/zinc/85/80/72/203858072.db2.gz NGXUQHFLXSGNJX-UHFFFAOYSA-N 0 0 349.438 2.485 40 0 EEABRN CCCc1noc([C@H]2CCCCN2C(=O)CCc2cnn(C)c2)n1 ZINC000041123326 204007282 /nfs/dbraw/zinc/00/72/82/204007282.db2.gz OQNYBCMZRPJSHG-CQSZACIVSA-N 0 0 331.420 2.442 40 0 EEABRN CCO[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000103941864 204090912 /nfs/dbraw/zinc/09/09/12/204090912.db2.gz SUTKLLKZIZVCPL-AWEZNQCLSA-N 0 0 343.420 2.174 40 0 EEABRN Cc1ccc(N2CCC3(CCN(C(=O)[C@H]4CCOC4)CC3)CC2)nn1 ZINC000107084755 204225644 /nfs/dbraw/zinc/22/56/44/204225644.db2.gz SZUXHRFGLTWCDJ-INIZCTEOSA-N 0 0 344.459 2.031 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)CC1 ZINC000079036552 217178995 /nfs/dbraw/zinc/17/89/95/217178995.db2.gz IAESFLBYDYQBNR-SJORKVTESA-N 0 0 345.443 2.284 40 0 EEABRN O=C(NC[C@H]1CCCO1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000016383793 211899881 /nfs/dbraw/zinc/89/98/81/211899881.db2.gz REWXDOZUVMICDH-SECBINFHSA-N 0 0 339.754 2.362 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)CC1 ZINC000226305416 205125752 /nfs/dbraw/zinc/12/57/52/205125752.db2.gz LHTRKMHPPFISOK-UHFFFAOYSA-N 0 0 348.424 2.466 40 0 EEABRN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000137270712 205527614 /nfs/dbraw/zinc/52/76/14/205527614.db2.gz WTNQGVHJTNGPIQ-UHFFFAOYSA-N 0 0 334.397 2.376 40 0 EEABRN COc1cc(OC)c(NCC(=O)NC2CC2)cc1Br ZINC000155577560 206017115 /nfs/dbraw/zinc/01/71/15/206017115.db2.gz SXPVYBAHKLMUDS-UHFFFAOYSA-N 0 0 329.194 2.157 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000157064688 206115141 /nfs/dbraw/zinc/11/51/41/206115141.db2.gz ZOBLQDZYVOMXPB-QWHCGFSZSA-N 0 0 330.388 2.102 40 0 EEABRN CCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1N ZINC000000385751 206235149 /nfs/dbraw/zinc/23/51/49/206235149.db2.gz LTZAPXKZSOTQPK-UHFFFAOYSA-N 0 0 325.825 2.247 40 0 EEABRN CCOC(=O)[C@H]1CCCN1c1nn2cc(-c3cccnc3)nc2s1 ZINC000302772362 206500465 /nfs/dbraw/zinc/50/04/65/206500465.db2.gz NKHBJSHNMRBZJJ-CYBMUJFWSA-N 0 0 343.412 2.385 40 0 EEABRN COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccccc1C ZINC000006861008 206520353 /nfs/dbraw/zinc/52/03/53/206520353.db2.gz YJJQZUCAKDRPKU-UHFFFAOYSA-N 0 0 326.352 2.150 40 0 EEABRN O=S1(=O)CCCN1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000095397274 218329063 /nfs/dbraw/zinc/32/90/63/218329063.db2.gz ZWBOUABHJBUPDH-UHFFFAOYSA-N 0 0 335.404 2.036 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2nccn2CC(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000095400963 218335732 /nfs/dbraw/zinc/33/57/32/218335732.db2.gz JOHQNPYPGGMGAZ-WCQGTBRESA-N 0 0 346.353 2.058 40 0 EEABRN O=CNc1ccc(C(=O)N2CCN(c3ccncc3Cl)CC2)cc1 ZINC000095438384 218381863 /nfs/dbraw/zinc/38/18/63/218381863.db2.gz RAULCUICSDCUBT-UHFFFAOYSA-N 0 0 344.802 2.266 40 0 EEABRN Cc1nnc(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000172663704 206858084 /nfs/dbraw/zinc/85/80/84/206858084.db2.gz LKLGHYRNNSCFPQ-LBPRGKRZSA-N 0 0 334.807 2.359 40 0 EEABRN Cc1c(C(=O)NCc2cccc3c2OCCO3)sc2nccn12 ZINC000095449286 218393929 /nfs/dbraw/zinc/39/39/29/218393929.db2.gz DOPVORBBWMKTQS-UHFFFAOYSA-N 0 0 329.381 2.405 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000173647095 206947299 /nfs/dbraw/zinc/94/72/99/206947299.db2.gz CHVYJSNYQBHYPT-HGHGUNKESA-N 0 0 348.450 2.466 40 0 EEABRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000177047302 207287523 /nfs/dbraw/zinc/28/75/23/207287523.db2.gz JPPWOEIQQKHYNV-CZUORRHYSA-N 0 0 348.447 2.356 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)[C@H]2CCOc3ccccc32)c1 ZINC000096418785 218782445 /nfs/dbraw/zinc/78/24/45/218782445.db2.gz UIMNRQNFXGMNCO-KRWDZBQOSA-N 0 0 338.407 2.271 40 0 EEABRN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000096439271 218819022 /nfs/dbraw/zinc/81/90/22/218819022.db2.gz VPCPRNPGGSHQMU-WDEREUQCSA-N 0 0 326.466 2.193 40 0 EEABRN C[C@@H](NS(=O)(=O)c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000096436442 218815517 /nfs/dbraw/zinc/81/55/17/218815517.db2.gz PZKIIXBAMQLQKE-CYBMUJFWSA-N 0 0 328.397 2.307 40 0 EEABRN CNC(=O)c1ccc(/C=C/C(=O)NC[C@](C)(O)c2cccs2)cc1 ZINC000096444449 218826306 /nfs/dbraw/zinc/82/63/06/218826306.db2.gz KDUPSHPBDOVNJZ-HKMNZKMDSA-N 0 0 344.436 2.145 40 0 EEABRN C[C@@H]1CN(Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C(N)=O)O1 ZINC000097230935 219000168 /nfs/dbraw/zinc/00/01/68/219000168.db2.gz ACIRGZFKKDDIIZ-WBMJQRKESA-N 0 0 337.851 2.015 40 0 EEABRN CN1C[C@H](C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1=O ZINC000097236075 219001916 /nfs/dbraw/zinc/00/19/16/219001916.db2.gz GDDQFHYILDIJDG-KRTXAFLBSA-N 0 0 336.260 2.163 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(C)cc1 ZINC000257226828 285156813 /nfs/dbraw/zinc/15/68/13/285156813.db2.gz FMJAXKDLYNOGBI-AEFFLSMTSA-N 0 0 330.428 2.153 40 0 EEABRN COC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2s1 ZINC000072207251 257690573 /nfs/dbraw/zinc/69/05/73/257690573.db2.gz MTQBRQFBHSREPL-STQMWFEESA-N 0 0 337.353 2.005 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 ZINC000306143680 257925178 /nfs/dbraw/zinc/92/51/78/257925178.db2.gz YIVBWRHWTGPJNP-SHARSMKWSA-N 0 0 334.391 2.216 40 0 EEABRN CO[C@@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC[C@@H]1C ZINC000187541223 533458273 /nfs/dbraw/zinc/45/82/73/533458273.db2.gz PXAZKPXMDSDJDV-URSPUVDMSA-N 0 0 338.473 2.002 40 0 EEABRN COc1ccccc1N1CCN(CCNC(=O)C2CCCC2)CC1 ZINC000052957165 132185687 /nfs/dbraw/zinc/18/56/87/132185687.db2.gz MASHBMNBCHERNP-UHFFFAOYSA-N 0 0 331.460 2.124 40 0 EEABRN CCc1cc(N2CCC[C@H](O)C2)n2nc3nc(C)cc(C)c3c2n1 ZINC000012186239 135693164 /nfs/dbraw/zinc/69/31/64/135693164.db2.gz FZHBTWCMCDYZAA-AWEZNQCLSA-N 0 0 325.416 2.418 40 0 EEABRN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173464914 152167809 /nfs/dbraw/zinc/16/78/09/152167809.db2.gz LNLOIYXSNDEJBP-GUYCJALGSA-N 0 0 348.491 2.265 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472535 287296169 /nfs/dbraw/zinc/29/61/69/287296169.db2.gz AHROYOFTHSBXBC-SNPRPXQTSA-N 0 0 336.457 2.170 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096521589 287380948 /nfs/dbraw/zinc/38/09/48/287380948.db2.gz CRMOLTFIFJKDMV-RYUDHWBXSA-N 0 0 337.235 2.274 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1nc(C(F)(F)F)cs1 ZINC000278561043 274373268 /nfs/dbraw/zinc/37/32/68/274373268.db2.gz FLXBNCDMQOJPQJ-HRDYMLBCSA-N 0 0 335.351 2.459 40 0 EEABRN O=C(Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 ZINC000020799803 275001913 /nfs/dbraw/zinc/00/19/13/275001913.db2.gz SLJQMFSRIRZXDZ-UHFFFAOYSA-N 0 0 331.335 2.361 40 0 EEABRN C[C@@H](C(=O)N1CCCC[C@@H]1C1OCCO1)N1CCc2ccccc2C1 ZINC000096412371 278189430 /nfs/dbraw/zinc/18/94/30/278189430.db2.gz TVRQFJHKFYQPNN-MAUKXSAKSA-N 0 0 344.455 2.187 40 0 EEABRN C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)N(C)C ZINC000096431052 278330072 /nfs/dbraw/zinc/33/00/72/278330072.db2.gz YJOBQIYXJCIXSG-SECBINFHSA-N 0 0 341.333 2.404 40 0 EEABRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCS(C)(=O)=O ZINC000239882083 278559201 /nfs/dbraw/zinc/55/92/01/278559201.db2.gz DAEKHOOXDNLTCT-CQSZACIVSA-N 0 0 349.374 2.284 40 0 EEABRN CCC(=O)N1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257311408 278565733 /nfs/dbraw/zinc/56/57/33/278565733.db2.gz UJHJYXOHRUMWNQ-SNVBAGLBSA-N 0 0 332.429 2.119 40 0 EEABRN CCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000113967397 278830365 /nfs/dbraw/zinc/83/03/65/278830365.db2.gz FHUMGDDXGUQLAX-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000151517470 279824193 /nfs/dbraw/zinc/82/41/93/279824193.db2.gz XXWSXEKVDBYXSP-KZNAEPCWSA-N 0 0 346.471 2.068 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000247943196 280216148 /nfs/dbraw/zinc/21/61/48/280216148.db2.gz QIECAJJJZLHBEV-HNNXBMFYSA-N 0 0 335.400 2.096 40 0 EEABRN O=C(c1ccncc1)N1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257245122 280220427 /nfs/dbraw/zinc/22/04/27/280220427.db2.gz IODHARJVRBSLTJ-UHFFFAOYSA-N 0 0 335.407 2.385 40 0 EEABRN O=c1c2cccc(Br)c2ncn1C[C@H](O)C(F)(F)F ZINC000097378034 280391343 /nfs/dbraw/zinc/39/13/43/280391343.db2.gz JXBWXCYUGRZKMG-QMMMGPOBSA-N 0 0 337.095 2.082 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@H]2OCC[C@@H](c3nc(C)no3)[C@H]2C1 ZINC000096043451 292814379 /nfs/dbraw/zinc/81/43/79/292814379.db2.gz GSHOLSZDAQWAHB-MGPQQGTHSA-N 0 0 331.372 2.314 40 0 EEABRN c1cnn(-c2cncc(N3CCO[C@@]4(CCc5ccccc54)C3)n2)c1 ZINC000328661151 311609329 /nfs/dbraw/zinc/60/93/29/311609329.db2.gz ABKQGVKBMPEHCB-IBGZPJMESA-N 0 0 333.395 2.341 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1-n1cnnn1 ZINC000097237602 323321606 /nfs/dbraw/zinc/32/16/06/323321606.db2.gz FAZBTYIHNCMSOZ-CYBMUJFWSA-N 0 0 339.355 2.241 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1Cc1nnc(-c2ccccc2)n1C ZINC000131658617 323329220 /nfs/dbraw/zinc/32/92/20/323329220.db2.gz JKNUQUOGHLSDAP-KRWDZBQOSA-N 0 0 337.427 2.394 40 0 EEABRN CN(C)c1ccnc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000133600747 323329630 /nfs/dbraw/zinc/32/96/30/323329630.db2.gz BUVWHLHVECLTMW-CXAGYDPISA-N 0 0 347.365 2.374 40 0 EEABRN CC(C)(C)OC(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000156548224 323333045 /nfs/dbraw/zinc/33/30/45/323333045.db2.gz PFZIYKWQPCKKSJ-HIFRSBDPSA-N 0 0 336.407 2.406 40 0 EEABRN C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188174461 323455454 /nfs/dbraw/zinc/45/54/54/323455454.db2.gz DJCWVGVHWCFUML-QQOXFEPMSA-N 0 0 348.248 2.178 40 0 EEABRN CC(C)Oc1ccccc1CNC(=O)C(=O)NCCc1ccccc1 ZINC000298073684 465293394 /nfs/dbraw/zinc/29/33/94/465293394.db2.gz AAVFNCBOXLXLLT-UHFFFAOYSA-N 0 0 340.423 2.449 40 0 EEABRN O=C(OCCn1nc2ccccn2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000044920811 462541272 /nfs/dbraw/zinc/54/12/72/462541272.db2.gz FSYUKHNATAVSNU-UHFFFAOYSA-N 0 0 341.411 2.256 40 0 EEABRN CCCNC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000085435944 462548080 /nfs/dbraw/zinc/54/80/80/462548080.db2.gz VCNKFQMHVKGFIQ-GFCCVEGCSA-N 0 0 347.337 2.300 40 0 biogenic,in-vitro EEABRN CC(C)c1nnc(C2CCN(CC(=O)Nc3cccnc3)CC2)o1 ZINC000085470728 462550597 /nfs/dbraw/zinc/55/05/97/462550597.db2.gz FYQJVAJNNHWKBJ-UHFFFAOYSA-N 0 0 329.404 2.406 40 0 EEABRN CSc1ncccc1C(=O)NC[C@]1(O)CCc2ccccc2C1 ZINC000085559920 462553048 /nfs/dbraw/zinc/55/30/48/462553048.db2.gz SAKRHCWNSZBRPM-SFHVURJKSA-N 0 0 328.437 2.453 40 0 EEABRN Cc1nc(-c2ccccc2NC(=O)NCc2nncn2C2CC2)no1 ZINC000085563713 462554136 /nfs/dbraw/zinc/55/41/36/462554136.db2.gz ZNWWRYIZIZRCSR-UHFFFAOYSA-N 0 0 339.359 2.293 40 0 EEABRN CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000410561 462559089 /nfs/dbraw/zinc/55/90/89/462559089.db2.gz HLEZJOPOOHSVKT-UHFFFAOYSA-N 0 0 338.473 2.392 40 0 EEABRN CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000810161 462573558 /nfs/dbraw/zinc/57/35/58/462573558.db2.gz NKDBUUVZVPDJTQ-CQSZACIVSA-N 0 0 338.473 2.392 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NCc1ccccc1F)C(=O)CO2 ZINC000001362120 462579816 /nfs/dbraw/zinc/57/98/16/462579816.db2.gz FUMBSRCDDJACGL-UHFFFAOYSA-N 0 0 328.343 2.176 40 0 EEABRN C[C@H](C(=O)N1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956992 462618582 /nfs/dbraw/zinc/61/85/82/462618582.db2.gz BSVVDDQRMHPXJU-LLVKDONJSA-N 0 0 346.399 2.132 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)N1CCC1 ZINC000074746947 462630323 /nfs/dbraw/zinc/63/03/23/462630323.db2.gz VSYJMRKENYEGPD-CYBMUJFWSA-N 0 0 339.342 2.199 40 0 EEABRN Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004553492 462633865 /nfs/dbraw/zinc/63/38/65/462633865.db2.gz FMWIWQRSNUGLIT-MHGIMSBQSA-N 0 0 338.407 2.439 40 0 EEABRN COc1ccc(-c2noc(CCC(=O)NCc3ccccn3)n2)cc1 ZINC000004901509 462640868 /nfs/dbraw/zinc/64/08/68/462640868.db2.gz SVPIJNPLSXFRMQ-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)NCc1cccs1 ZINC000005626520 462665521 /nfs/dbraw/zinc/66/55/21/462665521.db2.gz KFWNOTBGJXECTH-UHFFFAOYSA-N 0 0 331.422 2.393 40 0 EEABRN COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000006426921 462685726 /nfs/dbraw/zinc/68/57/26/462685726.db2.gz VGDKSFFXDCAYOZ-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Nc3cc(F)cc(F)c3)cn2)CC1 ZINC000075162033 462689061 /nfs/dbraw/zinc/68/90/61/462689061.db2.gz TXHNSJFVZULKTB-UHFFFAOYSA-N 0 0 348.357 2.151 40 0 EEABRN CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 ZINC000006630322 462693694 /nfs/dbraw/zinc/69/36/94/462693694.db2.gz QYJUHWNXRJXMJJ-UKTHLTGXSA-N 0 0 337.379 2.390 40 0 EEABRN Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000006679586 462696058 /nfs/dbraw/zinc/69/60/58/462696058.db2.gz OYBFLZODEWEPNO-UHFFFAOYSA-N 0 0 349.799 2.054 40 0 EEABRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cn3C)cn2)CCO1 ZINC000046717108 462698083 /nfs/dbraw/zinc/69/80/83/462698083.db2.gz BEDBVRLSMMMDBH-GFCCVEGCSA-N 0 0 348.834 2.229 40 0 EEABRN O=C(NCc1nnc2n1CCC2)c1cc(F)cc(Br)c1 ZINC000046780072 462703758 /nfs/dbraw/zinc/70/37/58/462703758.db2.gz JBCWXJXLAZKUFL-UHFFFAOYSA-N 0 0 339.168 2.056 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000007052140 462719723 /nfs/dbraw/zinc/71/97/23/462719723.db2.gz NGPMMGJUDVYVCV-UHFFFAOYSA-N 0 0 333.365 2.461 40 0 EEABRN COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1 ZINC000012114406 462843860 /nfs/dbraw/zinc/84/38/60/462843860.db2.gz NEQSPKSHXZHASJ-RTHVDDQRSA-N 0 0 341.411 2.084 40 0 EEABRN O=C(NCc1cc(C2CC2)n[nH]1)c1cc2c([nH]c1=O)CCCCC2 ZINC000012147224 462845204 /nfs/dbraw/zinc/84/52/04/462845204.db2.gz PAOOCCUZMFDVDR-UHFFFAOYSA-N 0 0 326.400 2.174 40 0 EEABRN Cc1nc(N2CCCC2)ncc1C(=O)NCCCc1ccccn1 ZINC000012148583 462845922 /nfs/dbraw/zinc/84/59/22/462845922.db2.gz MUXODZDGVSNAAN-UHFFFAOYSA-N 0 0 325.416 2.143 40 0 EEABRN Cc1cc(C)n(CCc2nnc(NC(=O)[C@@]3(C)CCCO3)s2)n1 ZINC000012203411 462847292 /nfs/dbraw/zinc/84/72/92/462847292.db2.gz AOBGQVMLUYKLST-OAHLLOKOSA-N 0 0 335.433 2.102 40 0 EEABRN COc1ccc2[nH]cc(NC(=O)NCCc3ccco3)c(=O)c2n1 ZINC000012222672 462848031 /nfs/dbraw/zinc/84/80/31/462848031.db2.gz WUBJLQDPTNEHMY-UHFFFAOYSA-N 0 0 328.328 2.301 40 0 EEABRN Cc1cc(C(=O)NCCc2nc(C)ncc2-c2cc(C)no2)on1 ZINC000012337729 462850186 /nfs/dbraw/zinc/85/01/86/462850186.db2.gz IGGOLJKEJMFIAZ-UHFFFAOYSA-N 0 0 327.344 2.017 40 0 EEABRN COc1ccccc1C(=O)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365044 462851557 /nfs/dbraw/zinc/85/15/57/462851557.db2.gz UHGLLSGQBAQSIL-LBPRGKRZSA-N 0 0 337.383 2.381 40 0 EEABRN COc1ccccc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 ZINC000012666468 462862451 /nfs/dbraw/zinc/86/24/51/462862451.db2.gz GXFHLGISOKBUQG-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN Cc1cccc(N2N=C(C(=O)Nc3ccnc4ccnn43)CCC2=O)c1 ZINC000076640976 462888571 /nfs/dbraw/zinc/88/85/71/462888571.db2.gz SITZHAXJXJSIFF-UHFFFAOYSA-N 0 0 348.366 2.159 40 0 EEABRN Cc1nc(CC(C)C)c(NC(=O)N[C@H]2CCc3ncnn3C2)s1 ZINC000132940578 462889669 /nfs/dbraw/zinc/88/96/69/462889669.db2.gz LZLHPVIWTPFMLY-NSHDSACASA-N 0 0 334.449 2.378 40 0 EEABRN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCO1 ZINC000050083704 462987526 /nfs/dbraw/zinc/98/75/26/462987526.db2.gz QQJSPELPVPFPAG-CYBMUJFWSA-N 0 0 349.456 2.128 40 0 EEABRN Cc1c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cnn1C ZINC000017068666 462993688 /nfs/dbraw/zinc/99/36/88/462993688.db2.gz FHOJBTPVQOGHLY-UHFFFAOYSA-N 0 0 333.457 2.372 40 0 EEABRN COc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)C)CC1)CNC2=O ZINC000019081115 463014309 /nfs/dbraw/zinc/01/43/09/463014309.db2.gz YOWKOQICWVWDCL-UHFFFAOYSA-N 0 0 346.427 2.225 40 0 EEABRN O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000019334479 463016974 /nfs/dbraw/zinc/01/69/74/463016974.db2.gz ZWFOXPGCGOFBES-UHFFFAOYSA-N 0 0 337.358 2.337 40 0 EEABRN CCN(CCS(C)(=O)=O)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093815965 463049940 /nfs/dbraw/zinc/04/99/40/463049940.db2.gz MJCVRUXZPHIDEV-UHFFFAOYSA-N 0 0 343.399 2.221 40 0 EEABRN CC(C)(C)c1ccccc1OCC(=O)NCCCN1CCOCC1 ZINC000052817561 463107756 /nfs/dbraw/zinc/10/77/56/463107756.db2.gz AWRNSGALBLQINQ-UHFFFAOYSA-N 0 0 334.460 2.201 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096039236 463143740 /nfs/dbraw/zinc/14/37/40/463143740.db2.gz TXLBVUYIWRPNHP-WMZOPIPTSA-N 0 0 337.391 2.492 40 0 EEABRN O=S1(=O)CC[C@@H](Cc2nc(Cc3ccccc3Cl)no2)C1 ZINC000078774360 463147911 /nfs/dbraw/zinc/14/79/11/463147911.db2.gz BJIDKPVJIIQSDR-JTQLQIEISA-N 0 0 326.805 2.291 40 0 EEABRN O=C([C@H]1C[C@@H]2CCN(Cc3ccccc3F)C[C@H]2O1)N1CCCC1 ZINC000096042711 463148352 /nfs/dbraw/zinc/14/83/52/463148352.db2.gz DLSIYMZBVSSPRE-BMGDILEWSA-N 0 0 332.419 2.428 40 0 EEABRN CC(=O)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 ZINC000096045170 463148688 /nfs/dbraw/zinc/14/86/88/463148688.db2.gz GDWKOCYVSUMPRE-KRWDZBQOSA-N 0 0 347.459 2.182 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccccc2)Cc2nnn(CC3CC3)c21 ZINC000096045586 463150557 /nfs/dbraw/zinc/15/05/57/463150557.db2.gz PGMFKYZTZSJXPI-HNNXBMFYSA-N 0 0 326.400 2.074 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048521 463152300 /nfs/dbraw/zinc/15/23/00/463152300.db2.gz UWCLGRYHCPFWHX-RHSMWYFYSA-N 0 0 346.362 2.085 40 0 EEABRN O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096056703 463157875 /nfs/dbraw/zinc/15/78/75/463157875.db2.gz KKMCNYKMUCFNFU-CGTJXYLNSA-N 0 0 332.419 2.331 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058017 463159615 /nfs/dbraw/zinc/15/96/15/463159615.db2.gz XOWDGVYQXCWOBW-ZMSDIMECSA-N 0 0 328.368 2.263 40 0 EEABRN Cc1csc(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096065180 463162887 /nfs/dbraw/zinc/16/28/87/463162887.db2.gz GADWJAULULPKJW-DAYGRLMNSA-N 0 0 349.500 2.347 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(Cc3cccnc3)C[C@@H]2O1 ZINC000096066307 463164909 /nfs/dbraw/zinc/16/49/09/463164909.db2.gz SIGOTBQZSFEKOW-JQHSSLGASA-N 0 0 338.411 2.095 40 0 EEABRN Cc1nc(CO[C@@H]2CO[C@]3(CCN(Cc4c[nH]cn4)C3)C2)cs1 ZINC000096072411 463167309 /nfs/dbraw/zinc/16/73/09/463167309.db2.gz QCTHLMPVTXGDCB-JKSUJKDBSA-N 0 0 334.445 2.125 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000078928953 463167624 /nfs/dbraw/zinc/16/76/24/463167624.db2.gz ATUNROVAYXDPLG-UKRRQHHQSA-N 0 0 326.444 2.353 40 0 EEABRN c1csc(CN2CC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)n1 ZINC000096072387 463168007 /nfs/dbraw/zinc/16/80/07/463168007.db2.gz GVYBBARLPLXVHB-DOTOQJQBSA-N 0 0 331.441 2.488 40 0 EEABRN Cc1noc(C)c1CN1CCC[C@]2(C1)CN(c1nncs1)CCO2 ZINC000096074926 463168468 /nfs/dbraw/zinc/16/84/68/463168468.db2.gz PUGSQGBYQOBJFS-INIZCTEOSA-N 0 0 349.460 2.014 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)[C@H]2C1 ZINC000096080600 463168640 /nfs/dbraw/zinc/16/86/40/463168640.db2.gz QHZHXNQCPHYTGO-FZMZJTMJSA-N 0 0 328.397 2.131 40 0 EEABRN O=C1[C@@H]2CCN(Cc3nccs3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107115 463175613 /nfs/dbraw/zinc/17/56/13/463175613.db2.gz CYSAYPBPGDINBW-CVEARBPZSA-N 0 0 343.452 2.397 40 0 EEABRN O=C(C1=CCCC1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107619 463176056 /nfs/dbraw/zinc/17/60/56/463176056.db2.gz ZARQHEXDFHNXGC-HKUYNNGSSA-N 0 0 328.412 2.469 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000068920653 463190533 /nfs/dbraw/zinc/19/05/33/463190533.db2.gz WYVIEFXFYBPRAC-UHFFFAOYSA-N 0 0 326.824 2.189 40 0 EEABRN Fc1cnc(N2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186132 463197812 /nfs/dbraw/zinc/19/78/12/463197812.db2.gz OOFVLMMCLORDDU-ULQDDVLXSA-N 0 0 344.390 2.354 40 0 EEABRN CCn1ncc2c1[C@H](COC)N(C(=O)COc1ccccc1)CC2 ZINC000096197814 463202540 /nfs/dbraw/zinc/20/25/40/463202540.db2.gz XSAKIUPLCDEVDF-INIZCTEOSA-N 0 0 329.400 2.054 40 0 EEABRN O=C(c1ccsc1)N1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC000096199552 463204256 /nfs/dbraw/zinc/20/42/56/463204256.db2.gz OHEZTUXGGOTXEJ-OAHLLOKOSA-N 0 0 341.436 2.422 40 0 EEABRN COCCN1CCN(C(=O)c2ccoc2C)Cc2ccc(C)nc21 ZINC000096199028 463204333 /nfs/dbraw/zinc/20/43/33/463204333.db2.gz RKIPWMXYDDCZPL-UHFFFAOYSA-N 0 0 329.400 2.400 40 0 EEABRN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 ZINC000096199946 463205430 /nfs/dbraw/zinc/20/54/30/463205430.db2.gz WXJSSIYPLJPXCL-QGZVFWFLSA-N 0 0 335.407 2.360 40 0 EEABRN Fc1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096202305 463206807 /nfs/dbraw/zinc/20/68/07/463206807.db2.gz QZIKKFAMHJHZCV-IBGZPJMESA-N 0 0 342.418 2.345 40 0 EEABRN C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1nccs1)CC2 ZINC000096201564 463207348 /nfs/dbraw/zinc/20/73/48/463207348.db2.gz MFJFFIHLICZZJI-CYBMUJFWSA-N 0 0 335.473 2.135 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219191 463216837 /nfs/dbraw/zinc/21/68/37/463216837.db2.gz DYXDXSKRAVXKAK-KSSFIOAISA-N 0 0 342.374 2.101 40 0 EEABRN O=C(c1cnccn1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096220552 463217296 /nfs/dbraw/zinc/21/72/96/463217296.db2.gz WNGIBDDMLDYFKU-INIZCTEOSA-N 0 0 339.395 2.319 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096220064 463217584 /nfs/dbraw/zinc/21/75/84/463217584.db2.gz GYJRNLOVAQZMNH-QFBILLFUSA-N 0 0 339.395 2.238 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000096222705 463219227 /nfs/dbraw/zinc/21/92/27/463219227.db2.gz MVTICBXFLWLAGW-CRAIPNDOSA-N 0 0 326.400 2.286 40 0 EEABRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227071 463221972 /nfs/dbraw/zinc/22/19/72/463221972.db2.gz RBAGRHCUMNZGRN-VQIMIIECSA-N 0 0 342.443 2.062 40 0 EEABRN CCN1Cc2ccccc2CC2(CCN(C(=O)N(C)C)CC2)C1=O ZINC000096243396 463226048 /nfs/dbraw/zinc/22/60/48/463226048.db2.gz FDTHNGBNCMIBFH-UHFFFAOYSA-N 0 0 329.444 2.355 40 0 EEABRN O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096402827 463238244 /nfs/dbraw/zinc/23/82/44/463238244.db2.gz BPHMJVQDNNLWHB-CVEARBPZSA-N 0 0 329.379 2.320 40 0 EEABRN O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096402826 463238606 /nfs/dbraw/zinc/23/86/06/463238606.db2.gz BPHMJVQDNNLWHB-HOTGVXAUSA-N 0 0 329.379 2.320 40 0 EEABRN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000096404897 463239583 /nfs/dbraw/zinc/23/95/83/463239583.db2.gz MJSYHBQDOSGQOS-MORSLUCNSA-N 0 0 343.448 2.494 40 0 EEABRN C[C@H](NC(=O)C1CCC1)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407892 463241269 /nfs/dbraw/zinc/24/12/69/463241269.db2.gz XBXZCOWAYIXJRH-SUMWQHHRSA-N 0 0 346.471 2.439 40 0 EEABRN Cc1nn2cccnc2c1C(=O)NCCCc1nc2ccccc2n1C ZINC000096412473 463244951 /nfs/dbraw/zinc/24/49/51/463244951.db2.gz PECNNMFWNFLGNO-UHFFFAOYSA-N 0 0 348.410 2.287 40 0 EEABRN CCn1nnnc1-c1cccc(NC(=O)c2noc3c2CCCC3)c1 ZINC000096413957 463246432 /nfs/dbraw/zinc/24/64/32/463246432.db2.gz CGFLWWJBSIHQEX-UHFFFAOYSA-N 0 0 338.371 2.479 40 0 EEABRN Cc1cccc(C)c1CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000096414875 463247401 /nfs/dbraw/zinc/24/74/01/463247401.db2.gz BLGXZBCGGKOYOE-IAGOWNOFSA-N 0 0 337.485 2.472 40 0 EEABRN CCN1C[C@@H](COC(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1=O ZINC000096416229 463248338 /nfs/dbraw/zinc/24/83/38/463248338.db2.gz BZGZNZNKAHQXOO-ZDUSSCGKSA-N 0 0 345.374 2.345 40 0 EEABRN CS(=O)(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1 ZINC000096417538 463249408 /nfs/dbraw/zinc/24/94/08/463249408.db2.gz MSBVKMSNJZUBIL-UHFFFAOYSA-N 0 0 336.438 2.482 40 0 EEABRN Cc1cnn(CCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000096416698 463249608 /nfs/dbraw/zinc/24/96/08/463249608.db2.gz GLFXFIMSPBIMFF-HNNXBMFYSA-N 0 0 346.818 2.157 40 0 EEABRN Cc1ncsc1CN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096420532 463251268 /nfs/dbraw/zinc/25/12/68/463251268.db2.gz VOQJFZMTAVZOHO-MRXNPFEDSA-N 0 0 345.468 2.311 40 0 EEABRN Cc1c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420757 463251749 /nfs/dbraw/zinc/25/17/49/463251749.db2.gz MLSQKCZOOAVVRM-MRXNPFEDSA-N 0 0 340.427 2.435 40 0 EEABRN O=C(NCc1nnc2n1CCCC2)Nc1cnn(-c2ccccc2)c1 ZINC000096421989 463252878 /nfs/dbraw/zinc/25/28/78/463252878.db2.gz CANFCEAXINIQCA-UHFFFAOYSA-N 0 0 337.387 2.122 40 0 EEABRN CC(C)c1nn(C)c(Cl)c1C(=O)NCCC(=O)Nc1ccncc1 ZINC000096423644 463253916 /nfs/dbraw/zinc/25/39/16/463253916.db2.gz MRFNPBDTWSKBOW-UHFFFAOYSA-N 0 0 349.822 2.351 40 0 EEABRN O=C(Nc1ccc(I)cn1)c1ccnc(F)c1 ZINC000096423203 463254055 /nfs/dbraw/zinc/25/40/55/463254055.db2.gz LGNOJUNFAKDOFP-UHFFFAOYSA-N 0 0 343.099 2.473 40 0 EEABRN O=C1O[C@@H](CN2CCN(c3ccccn3)CC2)CN1c1ccccc1 ZINC000096424127 463254989 /nfs/dbraw/zinc/25/49/89/463254989.db2.gz MLYITQQCAJBREZ-KRWDZBQOSA-N 0 0 338.411 2.229 40 0 EEABRN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)Oc1ccccc1Cl ZINC000096426865 463256292 /nfs/dbraw/zinc/25/62/92/463256292.db2.gz KHABPMMHSTTXLG-LLVKDONJSA-N 0 0 326.824 2.386 40 0 EEABRN Cc1nnnn1-c1cc(NCc2noc(C(C)(C)C)n2)ccc1F ZINC000096427513 463256634 /nfs/dbraw/zinc/25/66/34/463256634.db2.gz GEWZCFIGVPADGG-UHFFFAOYSA-N 0 0 331.355 2.402 40 0 EEABRN C[C@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(C3CC3)o2)C1=O ZINC000096428797 463258867 /nfs/dbraw/zinc/25/88/67/463258867.db2.gz FLMRHAWOQJJABC-GOSISDBHSA-N 0 0 340.383 2.390 40 0 EEABRN CC(C)(C)c1ncc(/C=C/C(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1 ZINC000096430526 463260517 /nfs/dbraw/zinc/26/05/17/463260517.db2.gz WMTZWNFQVWWQTF-NFAHFFEMSA-N 0 0 342.486 2.147 40 0 EEABRN O=C(Cn1ccccc1=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000096431848 463260936 /nfs/dbraw/zinc/26/09/36/463260936.db2.gz DEGZGKOGWWUYLK-HNNXBMFYSA-N 0 0 328.437 2.489 40 0 EEABRN Cc1nc2cc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)ccc2n1C ZINC000096432952 463261342 /nfs/dbraw/zinc/26/13/42/463261342.db2.gz WBHBQFNMRGMCAX-QGZVFWFLSA-N 0 0 328.416 2.467 40 0 EEABRN Cc1ccc([C@](C)(O)CNC(=O)NCCc2ccc3c(c2)CCO3)o1 ZINC000096440309 463267039 /nfs/dbraw/zinc/26/70/39/463267039.db2.gz GWKBLGIRNWQUEL-LJQANCHMSA-N 0 0 344.411 2.272 40 0 EEABRN Cc1cccc(CN(CC(=O)N2CCOCC2)Cc2ccccn2)c1 ZINC000096452940 463273260 /nfs/dbraw/zinc/27/32/60/463273260.db2.gz JVCCPKXWYMKAMY-UHFFFAOYSA-N 0 0 339.439 2.251 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CC[C@H]3CCCO3)CC2)nc(C)n1 ZINC000096454876 463274633 /nfs/dbraw/zinc/27/46/33/463274633.db2.gz BKXTVUWOJPRLRZ-MRXNPFEDSA-N 0 0 332.448 2.138 40 0 EEABRN NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccc(F)cc3o1)CC2 ZINC000096466212 463277756 /nfs/dbraw/zinc/27/77/56/463277756.db2.gz CPAPGXFLSQJMHG-UHFFFAOYSA-N 0 0 347.371 2.177 40 0 EEABRN Cc1cc(CNC(=O)Cc2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000096468291 463277975 /nfs/dbraw/zinc/27/79/75/463277975.db2.gz KAIAPTSJPVQCCW-UHFFFAOYSA-N 0 0 335.400 2.397 40 0 EEABRN Cc1cc(S(=O)(=O)NCCc2cnn(C)c2)c(Cl)cc1F ZINC000096472445 463279134 /nfs/dbraw/zinc/27/91/34/463279134.db2.gz LENSCWBXZSYRKI-UHFFFAOYSA-N 0 0 331.800 2.042 40 0 EEABRN CCc1sc([C@@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000096483849 463282896 /nfs/dbraw/zinc/28/28/96/463282896.db2.gz GQIQBOYCKHYMCB-NEPJUHHUSA-N 0 0 344.502 2.414 40 0 EEABRN O=C(NCCCc1cccc(Br)c1)[C@@]1(O)CCSC1 ZINC000096487445 463285252 /nfs/dbraw/zinc/28/52/52/463285252.db2.gz CYUIABUTROLENW-CQSZACIVSA-N 0 0 344.274 2.366 40 0 EEABRN COC(=O)CCN1CCN(C(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000096491195 463286984 /nfs/dbraw/zinc/28/69/84/463286984.db2.gz YWSCAZXBKNULKR-ZDUSSCGKSA-N 0 0 330.384 2.142 40 0 EEABRN Cc1cc(C(=O)NCCn2cnnc2C)nn1-c1cc(C)cc(C)c1 ZINC000096495085 463288883 /nfs/dbraw/zinc/28/88/83/463288883.db2.gz FHYLZODTTJOUFK-UHFFFAOYSA-N 0 0 338.415 2.127 40 0 EEABRN Cc1nc(CNC(C)(C)COc2ncccc2Br)no1 ZINC000096499946 463289883 /nfs/dbraw/zinc/28/98/83/463289883.db2.gz SBFHPNSOIHYCRH-UHFFFAOYSA-N 0 0 341.209 2.483 40 0 EEABRN O=c1c2ccncc2ncn1C[C@H](O)c1ccccc1Br ZINC000096500465 463290145 /nfs/dbraw/zinc/29/01/45/463290145.db2.gz UVGOGIINCUELAA-AWEZNQCLSA-N 0 0 346.184 2.288 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000096503184 463292894 /nfs/dbraw/zinc/29/28/94/463292894.db2.gz BPTRUIUPCFFRGL-CABCVRRESA-N 0 0 334.489 2.365 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(OC)cc1 ZINC000096518657 463294030 /nfs/dbraw/zinc/29/40/30/463294030.db2.gz SNZBBFDMOUYUNR-GFCCVEGCSA-N 0 0 335.219 2.424 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(N)cc1 ZINC000096519848 463294377 /nfs/dbraw/zinc/29/43/77/463294377.db2.gz IHAQBWKDZVIYQZ-VHSXEESVSA-N 0 0 342.642 2.024 40 0 EEABRN COC(=O)[C@]1(F)CCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 ZINC000080705890 463348622 /nfs/dbraw/zinc/34/86/22/463348622.db2.gz JSPBWJIGYGYJOV-NHYWBVRUSA-N 0 0 328.409 2.223 40 0 EEABRN Cn1nccc1CCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000097378486 463358214 /nfs/dbraw/zinc/35/82/14/463358214.db2.gz ROKGDCHFSIJELB-DOTOQJQBSA-N 0 0 328.416 2.182 40 0 EEABRN CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000081073664 463390212 /nfs/dbraw/zinc/39/02/12/463390212.db2.gz IPSOMNKKWCYTIT-INIZCTEOSA-N 0 0 341.415 2.016 40 0 EEABRN COc1ccc(C(=O)NCc2noc(C)n2)cc1Br ZINC000033404014 463420552 /nfs/dbraw/zinc/42/05/52/463420552.db2.gz CELLZDRVCAGPCK-UHFFFAOYSA-N 0 0 326.150 2.079 40 0 EEABRN CCC(C)(C)NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000035312051 463431014 /nfs/dbraw/zinc/43/10/14/463431014.db2.gz KKZWMRUYRHBUGY-UHFFFAOYSA-N 0 0 342.447 2.184 40 0 EEABRN CCN1CCO[C@H](C(=O)N2CCC[C@H](COc3ccccc3)C2)C1 ZINC000081418401 463435999 /nfs/dbraw/zinc/43/59/99/463435999.db2.gz IGEPWZAGQAOVPC-WMZOPIPTSA-N 0 0 332.444 2.025 40 0 EEABRN CCCN(CC(=O)NCc1ccco1)Cc1nnc(-c2ccco2)o1 ZINC000040465885 463455816 /nfs/dbraw/zinc/45/58/16/463455816.db2.gz OJQZKSNZIJUNAP-UHFFFAOYSA-N 0 0 344.371 2.451 40 0 EEABRN COc1cc(C)c(Br)cc1S(=O)(=O)n1ccnc1 ZINC000041095755 463467324 /nfs/dbraw/zinc/46/73/24/463467324.db2.gz HCISZTOJWSGMIC-UHFFFAOYSA-N 0 0 331.191 2.200 40 0 EEABRN Cc1nc2c(nc(N)nc2Nc2cnc(-c3ccccc3)nc2)n1C ZINC000057279134 463474024 /nfs/dbraw/zinc/47/40/24/463474024.db2.gz USNSLVZGXOOUSO-UHFFFAOYSA-N 0 0 332.371 2.455 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC000057318602 463477666 /nfs/dbraw/zinc/47/76/66/463477666.db2.gz ADTILESCHBKLLD-TZMCWYRMSA-N 0 0 338.835 2.343 40 0 EEABRN COc1cc2[nH]cc(I)c(=O)c2cc1OC ZINC000072207208 463483199 /nfs/dbraw/zinc/48/31/99/463483199.db2.gz KXRBOVWMHVRPKD-UHFFFAOYSA-N 0 0 331.109 2.150 40 0 EEABRN CCOC(=O)c1cc(NCC(=O)N(C)C2CC2)cc(C(=O)OCC)c1 ZINC000058165821 463546977 /nfs/dbraw/zinc/54/69/77/463546977.db2.gz MKTVPVOCBQAWDC-UHFFFAOYSA-N 0 0 348.399 2.073 40 0 EEABRN Cc1cccnc1CN1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC000108528123 463609457 /nfs/dbraw/zinc/60/94/57/463609457.db2.gz GVJSELHIMNQCET-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN O=C1CC2(CCCCC2)C(=O)N1CCS(=O)(=O)c1ccccc1 ZINC000058634417 463615687 /nfs/dbraw/zinc/61/56/87/463615687.db2.gz JTRVUPANZGUHEK-UHFFFAOYSA-N 0 0 335.425 2.170 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1 ZINC000044867062 463696911 /nfs/dbraw/zinc/69/69/11/463696911.db2.gz NWORWDSROARCPO-CQSZACIVSA-N 0 0 335.400 2.184 40 0 EEABRN Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)n1 ZINC000257288847 463762953 /nfs/dbraw/zinc/76/29/53/463762953.db2.gz PVYSHVMZUIWQNP-VIFPVBQESA-N 0 0 327.310 2.100 40 0 EEABRN CC(=O)N1CC2(CCN(Cc3nccs3)CC2)C[C@@H](O)C1(C)C ZINC000257288342 463763049 /nfs/dbraw/zinc/76/30/49/463763049.db2.gz PTVGPDOLTAXBJY-CQSZACIVSA-N 0 0 337.489 2.117 40 0 EEABRN Cc1nc(CC(=O)NCc2cnc([C@H]3CCCCO3)nc2)cs1 ZINC000257287576 463763640 /nfs/dbraw/zinc/76/36/40/463763640.db2.gz PQNHXEPROKFPDL-CQSZACIVSA-N 0 0 332.429 2.342 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc(Cl)c(C)c2)[C@H]1O ZINC000257296742 463767488 /nfs/dbraw/zinc/76/74/88/463767488.db2.gz REEXKLVVHJGUQR-IIAWOOMASA-N 0 0 327.808 2.024 40 0 EEABRN CN(C)c1nc([C@H]2CCN(C(=O)Cc3cccnc3)C2)cn2cccc12 ZINC000257300801 463768588 /nfs/dbraw/zinc/76/85/88/463768588.db2.gz RVSSMHULMJOFCY-INIZCTEOSA-N 0 0 349.438 2.354 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257302218 463768621 /nfs/dbraw/zinc/76/86/21/463768621.db2.gz SBZHTJHRNZRWOQ-MRXNPFEDSA-N 0 0 341.459 2.400 40 0 EEABRN Cc1nc([C@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)cc(=O)[nH]1 ZINC000257303334 463770807 /nfs/dbraw/zinc/77/08/07/463770807.db2.gz SGUFDNLEPJRJOP-GFCCVEGCSA-N 0 0 340.305 2.482 40 0 EEABRN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1O ZINC000257308920 463771683 /nfs/dbraw/zinc/77/16/83/463771683.db2.gz TYTBXCCBRTYKAQ-XJKCOSOUSA-N 0 0 331.441 2.236 40 0 EEABRN CC(=O)NC1CCC(Cc2nccc(Nc3cc(C)[nH]n3)n2)CC1 ZINC000257307327 463771791 /nfs/dbraw/zinc/77/17/91/463771791.db2.gz SYEYVIKMQRCGHB-UHFFFAOYSA-N 0 0 328.420 2.489 40 0 EEABRN CN(CC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325197 463777883 /nfs/dbraw/zinc/77/78/83/463777883.db2.gz WRXNHTHRCANPIO-HNNXBMFYSA-N 0 0 330.457 2.376 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(C(=O)CC3CCCC3)CCN2C)c1 ZINC000257330824 463781340 /nfs/dbraw/zinc/78/13/40/463781340.db2.gz XQFJGLSSZKAUGZ-GOSISDBHSA-N 0 0 343.471 2.442 40 0 EEABRN COc1cccc(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334057 463782099 /nfs/dbraw/zinc/78/20/99/463782099.db2.gz YEILVOXWOLXQJU-OAHLLOKOSA-N 0 0 347.390 2.164 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257338225 463784948 /nfs/dbraw/zinc/78/49/48/463784948.db2.gz YWMNBDFDMOTEHI-IEBWSBKVSA-N 0 0 332.444 2.457 40 0 EEABRN CC(C)Oc1ccc([C@@H]2CN(C(=O)Cc3cnc[nH]3)CCN2C)cc1 ZINC000257339891 463785802 /nfs/dbraw/zinc/78/58/02/463785802.db2.gz ZDPGDWUOBNJZGZ-SFHVURJKSA-N 0 0 342.443 2.255 40 0 EEABRN COc1cc(C)c(Br)cc1NC(=O)c1cncnc1N ZINC000194229601 463818317 /nfs/dbraw/zinc/81/83/17/463818317.db2.gz DDPPCPVMSADPKR-UHFFFAOYSA-N 0 0 337.177 2.391 40 0 EEABRN Cc1cc(N2CC[C@H](NC(=O)C(F)F)C2=O)ccc1Br ZINC000194864955 463945997 /nfs/dbraw/zinc/94/59/97/463945997.db2.gz WRCMDPLNWPEQTN-JTQLQIEISA-N 0 0 347.159 2.244 40 0 EEABRN CCOc1ccc(F)c(C(=O)N(C)C2(C(N)=O)CCCC2)c1F ZINC000195576478 464080424 /nfs/dbraw/zinc/08/04/24/464080424.db2.gz BGVHRRRABQDGGD-UHFFFAOYSA-N 0 0 326.343 2.234 40 0 EEABRN Cc1cc(CNC(=O)N2CCN(c3ccccc3C)CC2)n(C)n1 ZINC000284259780 464128170 /nfs/dbraw/zinc/12/81/70/464128170.db2.gz QNFSUSXPSQECOZ-UHFFFAOYSA-N 0 0 327.432 2.069 40 0 EEABRN CCOC(=O)[C@H](CC)Sc1nnnn1-c1cccc(NC(C)=O)c1 ZINC000225440051 464159397 /nfs/dbraw/zinc/15/93/97/464159397.db2.gz ZCSXQCWSVIBPAO-ZDUSSCGKSA-N 0 0 349.416 2.055 40 0 EEABRN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CCOCC1 ZINC000225555471 464171069 /nfs/dbraw/zinc/17/10/69/464171069.db2.gz KFSNUZLYZORLGI-CYBMUJFWSA-N 0 0 332.322 2.217 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000225555063 464171257 /nfs/dbraw/zinc/17/12/57/464171257.db2.gz YALFTUGWEJQHGI-UHFFFAOYSA-N 0 0 348.809 2.414 40 0 EEABRN CN(CCCOCc1ccccc1)c1nn2c(nccc2=O)s1 ZINC000225580289 464173665 /nfs/dbraw/zinc/17/36/65/464173665.db2.gz NHVRKZBXDLJXJM-UHFFFAOYSA-N 0 0 330.413 2.194 40 0 EEABRN COc1ccc(OC)c2c1CN(Cc1cnn3ccccc13)C[C@@H]2O ZINC000179756104 464182668 /nfs/dbraw/zinc/18/26/68/464182668.db2.gz BVFJHFRPKKUIEH-INIZCTEOSA-N 0 0 339.395 2.401 40 0 EEABRN Cc1noc([C@H]2COCCN2Cc2cn(-c3ccccc3)nc2C)n1 ZINC000188475149 464290795 /nfs/dbraw/zinc/29/07/95/464290795.db2.gz MZYCRLAFEGOWDT-QGZVFWFLSA-N 0 0 339.399 2.446 40 0 EEABRN O=C(NC[C@@H]1COC2(CCOCC2)O1)N1CCC[C@H]1c1ccccc1 ZINC000181027087 464435373 /nfs/dbraw/zinc/43/53/73/464435373.db2.gz PSMKUIXKVOGIAQ-SJORKVTESA-N 0 0 346.427 2.455 40 0 EEABRN CN(C(=O)[C@@H]1CC12CCN(C(=O)c1ncc(F)cc1F)CC2)C1CC1 ZINC000240423838 464446742 /nfs/dbraw/zinc/44/67/42/464446742.db2.gz FRIIWOWQCBTZFO-ZDUSSCGKSA-N 0 0 349.381 2.223 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000245338840 464471369 /nfs/dbraw/zinc/47/13/69/464471369.db2.gz OVJGCMQQMJFEFF-NUEKZKHPSA-N 0 0 346.475 2.335 40 0 EEABRN CCNC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)ccc2NCC)C1 ZINC000190592924 464685243 /nfs/dbraw/zinc/68/52/43/464685243.db2.gz NYVUAZQACVLCRV-GFCCVEGCSA-N 0 0 338.839 2.305 40 0 EEABRN CN(Cc1ccon1)C(=O)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000265808494 464694768 /nfs/dbraw/zinc/69/47/68/464694768.db2.gz LNDKENCYHKVIBQ-ZDUSSCGKSA-N 0 0 333.413 2.389 40 0 EEABRN CC(C)N(C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000190674998 464699195 /nfs/dbraw/zinc/69/91/95/464699195.db2.gz OSNGUJUKEFRPNE-UHFFFAOYSA-N 0 0 343.225 2.175 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000247822837 464708119 /nfs/dbraw/zinc/70/81/19/464708119.db2.gz IESOXQFJMCJJDH-QGZVFWFLSA-N 0 0 335.444 2.156 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)CCc2cccn2C)C[C@H]1C ZINC000190879895 464738585 /nfs/dbraw/zinc/73/85/85/464738585.db2.gz NHRIUZOCQBOARB-IJEWVQPXSA-N 0 0 335.448 2.187 40 0 EEABRN O=S(=O)(c1cccc(NCc2ccco2)c1)N1CCC(O)CC1 ZINC000191137471 464783182 /nfs/dbraw/zinc/78/31/82/464783182.db2.gz YVDSLYBJVNYQSI-UHFFFAOYSA-N 0 0 336.413 2.037 40 0 EEABRN Cc1cnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Br)c1 ZINC000248666516 464784027 /nfs/dbraw/zinc/78/40/27/464784027.db2.gz OCZSSYBZPJJTMO-JSGCOSHPSA-N 0 0 340.265 2.309 40 0 EEABRN CO[C@@H]1CC[C@H](NC(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000191157834 464787202 /nfs/dbraw/zinc/78/72/02/464787202.db2.gz HGRNPGHSEJMIPA-DOTOQJQBSA-N 0 0 328.416 2.282 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC[C@H]1Cc3ccccc31)CC2 ZINC000249424610 464874102 /nfs/dbraw/zinc/87/41/02/464874102.db2.gz IIGCCPYLOJSSBO-KBAYOESNSA-N 0 0 344.455 2.288 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2ncnn2CC)[C@@H](C)C1 ZINC000252492924 464968024 /nfs/dbraw/zinc/96/80/24/464968024.db2.gz MXRFIKZVTXVAFR-INIZCTEOSA-N 0 0 343.475 2.403 40 0 EEABRN Cn1nncc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000252497462 464969814 /nfs/dbraw/zinc/96/98/14/464969814.db2.gz QIOIOYPGDQQAOP-UHFFFAOYSA-N 0 0 326.278 2.307 40 0 EEABRN CCN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000252511160 464977172 /nfs/dbraw/zinc/97/71/72/464977172.db2.gz ZVHVZZHEPIDKNM-UHFFFAOYSA-N 0 0 339.369 2.295 40 0 EEABRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C[NH3+])cc1 ZINC000252515969 464977921 /nfs/dbraw/zinc/97/79/21/464977921.db2.gz OZIFQFHUBZQUSV-QYZOEREBSA-N 0 0 344.480 2.153 40 0 EEABRN O=C(NCc1ccc[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000253369363 464993472 /nfs/dbraw/zinc/99/34/72/464993472.db2.gz BNFWTFLOQDNAIE-IMJJTQAJSA-N 0 0 325.416 2.259 40 0 EEABRN Cc1c([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(N)=O)cnn1C ZINC000253397868 465001588 /nfs/dbraw/zinc/00/15/88/465001588.db2.gz DOLOCZVNOGSDTQ-ZYHUDNBSSA-N 0 0 346.456 2.185 40 0 EEABRN COC(=O)[C@@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cc(C)cc(C)c1 ZINC000253421551 465008723 /nfs/dbraw/zinc/00/87/23/465008723.db2.gz XRIVRNXDNGIGPM-DYVFJYSZSA-N 0 0 341.411 2.162 40 0 EEABRN COc1ccc(C(=O)NC[C@H]2CCCN2c2cccnn2)c(F)c1 ZINC000253426232 465010588 /nfs/dbraw/zinc/01/05/88/465010588.db2.gz DLRBJWNQTORHFO-GFCCVEGCSA-N 0 0 330.363 2.023 40 0 EEABRN CCc1cc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)nc(C)n1 ZINC000253427730 465011536 /nfs/dbraw/zinc/01/15/36/465011536.db2.gz CECQRSKHRQMUOB-UHFFFAOYSA-N 0 0 342.399 2.431 40 0 EEABRN Cn1cc(C(=O)CCC(=O)N2CC3(CCCC3)OC(C)(C)C2)cn1 ZINC000253427763 465011767 /nfs/dbraw/zinc/01/17/67/465011767.db2.gz DSLSPFLDCIDXOL-UHFFFAOYSA-N 0 0 333.432 2.333 40 0 EEABRN COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000253433449 465014866 /nfs/dbraw/zinc/01/48/66/465014866.db2.gz XAKCTFSWKCSZIK-RBSFLKMASA-N 0 0 333.432 2.165 40 0 EEABRN CNC(=O)c1cccc(CCNc2cc(N3CCCC3)ncn2)c1 ZINC000302875212 466205326 /nfs/dbraw/zinc/20/53/26/466205326.db2.gz DWRRGMCLXSZHNO-UHFFFAOYSA-N 0 0 325.416 2.091 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3CCN(c4ccccn4)[C@@H]3CC2)[nH]n1 ZINC000306131220 466491352 /nfs/dbraw/zinc/49/13/52/466491352.db2.gz JYULBKPQFRTIBD-GOEBONIOSA-N 0 0 325.416 2.244 40 0 EEABRN Cc1cc(CN2Cc3cncn3[C@@H](COc3ncccc3F)C2)no1 ZINC000306135307 466492515 /nfs/dbraw/zinc/49/25/15/466492515.db2.gz ONBYZWVMKINDCO-OAHLLOKOSA-N 0 0 343.362 2.350 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000390827960 467412424 /nfs/dbraw/zinc/41/24/24/467412424.db2.gz MMRRTJAMODEOEP-MRXNPFEDSA-N 0 0 347.440 2.077 40 0 EEABRN Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CSC(C)(C)C)cn1 ZINC000390831031 467413301 /nfs/dbraw/zinc/41/33/01/467413301.db2.gz PEMOTDZXBMYKOR-GFCCVEGCSA-N 0 0 331.507 2.495 40 0 EEABRN Cc1cc(OCC(=O)Nc2ccc3n[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000390835082 467414962 /nfs/dbraw/zinc/41/49/62/467414962.db2.gz CGDUZTKMLAMTFT-UHFFFAOYSA-N 0 0 327.300 2.192 40 0 EEABRN O=C(CSc1ccncc1)N1CCC[C@@H](Oc2ncccn2)C1 ZINC000575606135 468146806 /nfs/dbraw/zinc/14/68/06/468146806.db2.gz SGLZMRVAXGHQIE-CYBMUJFWSA-N 0 0 330.413 2.034 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2ncccc2c1 ZINC000585094605 468963498 /nfs/dbraw/zinc/96/34/98/468963498.db2.gz DYAQYBGWKYEYOJ-HNNXBMFYSA-N 0 0 336.395 2.182 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C ZINC000585096666 468964637 /nfs/dbraw/zinc/96/46/37/468964637.db2.gz ZLAIQWIWIKMTQC-CYBMUJFWSA-N 0 0 344.415 2.355 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C ZINC000585098227 468967115 /nfs/dbraw/zinc/96/71/15/468967115.db2.gz SJOYPXBMWOTAGH-WWGRRREGSA-N 0 0 344.459 2.044 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(C)s1)C2 ZINC000585103991 468970526 /nfs/dbraw/zinc/97/05/26/468970526.db2.gz VBMPYNZAPJSTJZ-ZDUSSCGKSA-N 0 0 329.487 2.082 40 0 EEABRN CC(C)COC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1ccccn1 ZINC000585107823 468972585 /nfs/dbraw/zinc/97/25/85/468972585.db2.gz FTVSRHICYXPDOP-IRXDYDNUSA-N 0 0 333.432 2.149 40 0 EEABRN CO[C@H]1CCN(C(=O)c2cc(C(C)=O)n[nH]2)C[C@H]1Cc1ccccc1 ZINC000585113510 468976077 /nfs/dbraw/zinc/97/60/77/468976077.db2.gz UYJRGKLHEYAAFX-QAPCUYQASA-N 0 0 341.411 2.332 40 0 EEABRN Cn1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)n1 ZINC000585140603 468988686 /nfs/dbraw/zinc/98/86/86/468988686.db2.gz HRLYRGLOMDUUFE-CYBMUJFWSA-N 0 0 336.436 2.928 40 0 EEABRN CN(C)c1nc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)cn2cccc12 ZINC000585178757 468994154 /nfs/dbraw/zinc/99/41/54/468994154.db2.gz HTEIOWMDRWQVSW-INIZCTEOSA-N 0 0 344.459 2.079 40 0 EEABRN O=C(CCSc1ccccc1)NCCn1nc2c(cc1=O)CCC2 ZINC000585150597 468994179 /nfs/dbraw/zinc/99/41/79/468994179.db2.gz WIJIRVKNGSYRAS-UHFFFAOYSA-N 0 0 343.452 2.031 40 0 EEABRN C[C@H](C(=O)N1CCC(C(F)(F)F)CC1)n1nc(C2CC2)ccc1=O ZINC000585149947 468994416 /nfs/dbraw/zinc/99/44/16/468994416.db2.gz JONQSUALXJTXJN-SNVBAGLBSA-N 0 0 343.349 2.483 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 ZINC000585182554 468996160 /nfs/dbraw/zinc/99/61/60/468996160.db2.gz MRGBAJBSZBCCQL-CQSZACIVSA-N 0 0 334.383 2.168 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cccc(C)n3)C2)c1 ZINC000585268856 468996247 /nfs/dbraw/zinc/99/62/47/468996247.db2.gz BOBPUJSMUKAESH-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN O=C(CCCn1cccn1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 ZINC000585270789 468997557 /nfs/dbraw/zinc/99/75/57/468997557.db2.gz AOILIEVCUTUTOZ-QZTJIDSGSA-N 0 0 327.428 2.115 40 0 EEABRN CCCn1ccnc1CN1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585269405 468997716 /nfs/dbraw/zinc/99/77/16/468997716.db2.gz SCTKQNDBZIFQEG-SFHVURJKSA-N 0 0 333.407 2.448 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCN(C(=O)c3ncccc3C)C2)cc1 ZINC000585269010 468998054 /nfs/dbraw/zinc/99/80/54/468998054.db2.gz HKHHACWIWQAIML-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN CN(C)c1ncc(CN2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585275777 469000439 /nfs/dbraw/zinc/00/04/39/469000439.db2.gz HDIQQHYZYBVQKU-AEFFLSMTSA-N 0 0 344.434 2.107 40 0 EEABRN CNC(=O)C[C@@]1(COC)CCCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000585276606 469001002 /nfs/dbraw/zinc/00/10/02/469001002.db2.gz BOCCGJICPXUIPG-GOSISDBHSA-N 0 0 348.418 2.001 40 0 EEABRN Cc1cnn(CCC(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)c1 ZINC000585278839 469004403 /nfs/dbraw/zinc/00/44/03/469004403.db2.gz HKPHNMKAZKEIHT-MSOLQXFVSA-N 0 0 327.428 2.034 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(c4ccc(C)nn4)C3)C2)c1 ZINC000247894480 500993707 /nfs/dbraw/zinc/99/37/07/500993707.db2.gz GXCDOEMUQLAVCW-KRWDZBQOSA-N 0 0 340.427 2.443 40 0 EEABRN C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)[C@H]1C ZINC000190035490 534158056 /nfs/dbraw/zinc/15/80/56/534158056.db2.gz UWMRCBZLDMXZDA-IUCAKERBSA-N 0 0 348.296 2.419 40 0 EEABRN O=C(NCc1c(F)cccc1F)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000244975306 526635702 /nfs/dbraw/zinc/63/57/02/526635702.db2.gz IKQZVSYDTTVJCO-GFCCVEGCSA-N 0 0 334.322 2.458 40 0 EEABRN CCNS(=O)(=O)N1CCC(c2ccccc2Br)CC1 ZINC000187184484 528359938 /nfs/dbraw/zinc/35/99/38/528359938.db2.gz KUBSDACBLMDKPT-UHFFFAOYSA-N 0 0 347.278 2.483 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1C ZINC000408618437 528444274 /nfs/dbraw/zinc/44/42/74/528444274.db2.gz GJIBOOBSWDYUNJ-UHFFFAOYSA-N 0 0 347.440 2.008 40 0 EEABRN CCC(=O)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000257199975 535297016 /nfs/dbraw/zinc/29/70/16/535297016.db2.gz ABMSGKJOEXGFMF-UHFFFAOYSA-N 0 0 326.404 2.201 40 0 EEABRN CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n[nH]1 ZINC000257276188 536098792 /nfs/dbraw/zinc/09/87/92/536098792.db2.gz NSRWFZJCOCXULC-LLVKDONJSA-N 0 0 345.378 2.272 40 0 EEABRN CCc1cc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)on1 ZINC000257231040 536126281 /nfs/dbraw/zinc/12/62/81/536126281.db2.gz GEYZCLJKNSBHFZ-KRWDZBQOSA-N 0 0 330.388 2.373 40 0 EEABRN COC(=O)c1ccc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nn1 ZINC000253420648 536737410 /nfs/dbraw/zinc/73/74/10/536737410.db2.gz VWEDFWDNMBZUPR-KRWDZBQOSA-N 0 0 347.802 2.101 40 0 EEABRN COc1cc(OC)nc(C(=O)N2CC(c3ccc(Cl)cc3)C2)n1 ZINC000899154349 693635792 /nfs/dbraw/zinc/63/57/92/693635792.db2.gz BNLOCYHQGNQLSY-UHFFFAOYSA-N 0 0 333.775 2.387 40 0 EEABRN O=C(NC[C@@H]1CCCO1)[C@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1 ZINC000012087273 295665990 /nfs/dbraw/zinc/66/59/90/295665990.db2.gz ZXKGJQMMPDLMLA-UFSSQCERSA-N 0 0 341.407 2.342 40 0 EEABRN O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)N1CCNC1=O ZINC000055855400 214345288 /nfs/dbraw/zinc/34/52/88/214345288.db2.gz HZUGURPXSXPFRE-QGZVFWFLSA-N 0 0 327.359 2.057 40 0 EEABRN C[C@@H](NC(=O)Cc1cccc(F)c1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114774 201826326 /nfs/dbraw/zinc/82/63/26/201826326.db2.gz OVLLWTZCIIHEDE-LLVKDONJSA-N 0 0 325.347 2.426 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCn2cc(C(F)(F)F)nc2C1 ZINC000012146310 201829034 /nfs/dbraw/zinc/82/90/34/201829034.db2.gz DXVJZNSRJJSENR-UHFFFAOYSA-N 0 0 326.278 2.423 40 0 EEABRN CCCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000012407842 201844446 /nfs/dbraw/zinc/84/44/46/201844446.db2.gz LNMUCVFDUXTKSC-NWDGAFQWSA-N 0 0 327.379 2.307 40 0 EEABRN COc1ccc([C@H]2CCCN2C(=O)Cn2nc(C)nc2C)c(OC)c1 ZINC000019285727 202002345 /nfs/dbraw/zinc/00/23/45/202002345.db2.gz SCRJUQLBABTJGF-MRXNPFEDSA-N 0 0 344.415 2.276 40 0 EEABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2nc(C)nc2C)c1 ZINC000019285723 202003301 /nfs/dbraw/zinc/00/33/01/202003301.db2.gz PFUWIPXOMGCHJA-INIZCTEOSA-N 0 0 344.415 2.276 40 0 EEABRN Cc1nc2c(c(=O)[nH]1)CCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC000019576579 202014347 /nfs/dbraw/zinc/01/43/47/202014347.db2.gz ZXWVCWLLKVLWJU-UHFFFAOYSA-N 0 0 327.413 2.088 40 0 EEABRN CC(=O)N1CCC(c2nnc3n2CCN(Cc2ccccc2)C3)CC1 ZINC000019711229 202017100 /nfs/dbraw/zinc/01/71/00/202017100.db2.gz CFAZAWSCXJLHFV-UHFFFAOYSA-N 0 0 339.443 2.020 40 0 EEABRN CC(=O)N1CCC(c2nnc3n2CCN(CC2CCCCC2)C3)CC1 ZINC000019711012 202017277 /nfs/dbraw/zinc/01/72/77/202017277.db2.gz DEFYBNXUULCFKS-UHFFFAOYSA-N 0 0 345.491 2.400 40 0 EEABRN C[C@]1(C(=O)NC2CCCC2)CCCN(CC(=O)Nc2ccccn2)C1 ZINC000019746691 202017719 /nfs/dbraw/zinc/01/77/19/202017719.db2.gz NHJZXKRYPASIAY-IBGZPJMESA-N 0 0 344.459 2.181 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746775 202018249 /nfs/dbraw/zinc/01/82/49/202018249.db2.gz WHOLRJKSUODOKN-IBGZPJMESA-N 0 0 345.443 2.391 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000019747919 202018375 /nfs/dbraw/zinc/01/83/75/202018375.db2.gz RGAMPXCBEQWAJC-INIZCTEOSA-N 0 0 341.411 2.112 40 0 EEABRN CCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949745 535287747 /nfs/dbraw/zinc/28/77/47/535287747.db2.gz DKRBHZZKLXQSPB-CYBMUJFWSA-N 0 0 332.853 2.237 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3F)cc2o1 ZINC000019936508 202027404 /nfs/dbraw/zinc/02/74/04/202027404.db2.gz UGMZJRZXRCEMNX-UHFFFAOYSA-N 0 0 344.270 2.339 40 0 EEABRN CCN1CCN(C(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)CC1 ZINC000022521785 202086415 /nfs/dbraw/zinc/08/64/15/202086415.db2.gz ZXTVJUBNDJUNPA-ZDUSSCGKSA-N 0 0 338.473 2.349 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021872305 202073181 /nfs/dbraw/zinc/07/31/81/202073181.db2.gz YEQRXNNLAFXCBC-CHWSQXEVSA-N 0 0 344.502 2.310 40 0 EEABRN CS(=O)(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038519082 202138969 /nfs/dbraw/zinc/13/89/69/202138969.db2.gz AZHLATULYUYESZ-UHFFFAOYSA-N 0 0 325.365 2.015 40 0 EEABRN Cn1cccc1[C@@H](CNC(=O)NC1CCCCC1)N1CCOCC1 ZINC000038676005 202144973 /nfs/dbraw/zinc/14/49/73/202144973.db2.gz CQQYKJNLWIVIBT-QGZVFWFLSA-N 0 0 334.464 2.030 40 0 EEABRN Nn1c(=O)c(Nc2ccccc2)nnc1SCc1ccccc1 ZINC000028535957 202172610 /nfs/dbraw/zinc/17/26/10/202172610.db2.gz NVIUSLMEALZBKL-UHFFFAOYSA-N 0 0 325.397 2.388 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1c(F)ccc(F)c1F ZINC000186581275 235949020 /nfs/dbraw/zinc/94/90/20/235949020.db2.gz HGINXAHSPNRBII-SNVBAGLBSA-N 0 0 336.317 2.293 40 0 EEABRN Cc1occc1C(=O)NC1CCN(Cc2c(Cl)cnn2C)CC1 ZINC000187160039 236134257 /nfs/dbraw/zinc/13/42/57/236134257.db2.gz QEYCUFWLHMSWLV-UHFFFAOYSA-N 0 0 336.823 2.369 40 0 EEABRN CCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)C(=O)OC(C)(C)C)N1 ZINC000032100739 202221246 /nfs/dbraw/zinc/22/12/46/202221246.db2.gz QOYMFBXOOBPOFG-CYBMUJFWSA-N 0 0 338.326 2.358 40 0 EEABRN Nc1nnnn1NCc1ccccc1OCc1ccccc1Cl ZINC000007602408 236895035 /nfs/dbraw/zinc/89/50/35/236895035.db2.gz ODPXYRMCDZHZAJ-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)NCc1ccccc1 ZINC000059580009 236932362 /nfs/dbraw/zinc/93/23/62/236932362.db2.gz GQUPCPXTLSTFEL-GOSISDBHSA-N 0 0 338.407 2.121 40 0 EEABRN COc1cc(C(=O)NCc2csc(=O)[nH]2)sc1Br ZINC000089508825 237022281 /nfs/dbraw/zinc/02/22/81/237022281.db2.gz SQTBXJDWQMMKKB-UHFFFAOYSA-N 0 0 349.231 2.199 40 0 EEABRN O=S(=O)(C1CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000070637151 202336429 /nfs/dbraw/zinc/33/64/29/202336429.db2.gz IMEKOQPCNZQBRF-UHFFFAOYSA-N 0 0 339.804 2.281 40 0 EEABRN Cc1ccnn1CC(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000071195797 202342701 /nfs/dbraw/zinc/34/27/01/202342701.db2.gz SUDLZZWGNGKGTO-MRXNPFEDSA-N 0 0 348.410 2.237 40 0 EEABRN CC(=O)NC(C)(C)c1noc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000072549034 202363783 /nfs/dbraw/zinc/36/37/83/202363783.db2.gz MQNKNQLSSUDPIC-CYBMUJFWSA-N 0 0 342.399 2.270 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 ZINC000074851065 202374016 /nfs/dbraw/zinc/37/40/16/202374016.db2.gz QUDWNYCJEZNZQV-HNNXBMFYSA-N 0 0 346.475 2.069 40 0 EEABRN Cc1ccc(OCC(=O)NC[C@H]2CCN(c3ccccc3)C2)nc1 ZINC000075077117 202374410 /nfs/dbraw/zinc/37/44/10/202374410.db2.gz CUWIDCQYFJSCFF-MRXNPFEDSA-N 0 0 325.412 2.412 40 0 EEABRN O=C(CNC(=O)c1ccccc1-c1cncnc1)NCc1ccccc1 ZINC000078084759 202394714 /nfs/dbraw/zinc/39/47/14/202394714.db2.gz VUPLAROUTGXBLD-UHFFFAOYSA-N 0 0 346.390 2.190 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)cc1Cl ZINC000077939060 202395059 /nfs/dbraw/zinc/39/50/59/202395059.db2.gz YUZXZDNIDKKVMW-TVQRCGJNSA-N 0 0 328.771 2.085 40 0 EEABRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cnsn1 ZINC000078506010 202396075 /nfs/dbraw/zinc/39/60/75/202396075.db2.gz XKOVINUGVNBRKM-UHFFFAOYSA-N 0 0 336.270 2.465 40 0 EEABRN CC(C)S(=O)(=O)CC(=O)N1CCc2ccc(Br)cc21 ZINC000078998160 202414686 /nfs/dbraw/zinc/41/46/86/202414686.db2.gz BRTYYXHPCAYUBK-UHFFFAOYSA-N 0 0 346.246 2.161 40 0 EEABRN CO[C@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)CC[C@H]1C ZINC000190212957 238301451 /nfs/dbraw/zinc/30/14/51/238301451.db2.gz ZMJFROLASKYMIJ-ZBFHGGJFSA-N 0 0 343.431 2.410 40 0 EEABRN Cc1cccc(CNC(=O)N2CCC[C@H](O)C2)c1Br ZINC000190469482 238512729 /nfs/dbraw/zinc/51/27/29/238512729.db2.gz LUIRHWWJLMPQRW-LBPRGKRZSA-N 0 0 327.222 2.424 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000330032231 201362593 /nfs/dbraw/zinc/36/25/93/201362593.db2.gz JUNQMWCSVYRIRW-UHFFFAOYSA-N 0 0 344.392 2.348 40 0 EEABRN Cn1nc(C2CCCCC2)cc1NC(=O)CCC(=O)N1CCOCC1 ZINC000151119831 201389580 /nfs/dbraw/zinc/38/95/80/201389580.db2.gz LFISUVKONDJMMX-UHFFFAOYSA-N 0 0 348.447 2.045 40 0 EEABRN O=C(CN1C(=O)N/C(=C/c2cccs2)C1=O)Nc1ccccc1 ZINC000096983454 201378174 /nfs/dbraw/zinc/37/81/74/201378174.db2.gz JKWFKQGXRFVDJN-UKTHLTGXSA-N 0 0 327.365 2.280 40 0 EEABRN Cc1cccc(NC(=O)N[C@H](C)c2nnnn2C)c1Br ZINC000195580364 241029612 /nfs/dbraw/zinc/02/96/12/241029612.db2.gz ZDQXJXQSWUNGFN-MRVPVSSYSA-N 0 0 339.197 2.164 40 0 EEABRN C[C@H](CNC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000223613870 241673118 /nfs/dbraw/zinc/67/31/18/241673118.db2.gz DQDJVQQXIFUSBO-OAHLLOKOSA-N 0 0 346.452 2.373 40 0 EEABRN COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)Nc1nccs1 ZINC000223412618 241648314 /nfs/dbraw/zinc/64/83/14/241648314.db2.gz MJAMJXHAFYHMBM-GFCCVEGCSA-N 0 0 331.397 2.281 40 0 EEABRN COCCn1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)n1 ZINC000225486948 241892106 /nfs/dbraw/zinc/89/21/06/241892106.db2.gz UXOFVYFJAHFWOW-UHFFFAOYSA-N 0 0 335.414 2.362 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000225878196 242068340 /nfs/dbraw/zinc/06/83/40/242068340.db2.gz AMDUYHAHYWHRBH-STQMWFEESA-N 0 0 348.520 2.475 40 0 EEABRN CCc1nc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2n1C ZINC000225895206 242073550 /nfs/dbraw/zinc/07/35/50/242073550.db2.gz MTHVGXDWLNVWKI-UHFFFAOYSA-N 0 0 336.395 2.416 40 0 EEABRN CCS(=O)(=O)N(C)c1cccc(C(=O)NCCc2ccccc2)c1 ZINC000225966838 242080966 /nfs/dbraw/zinc/08/09/66/242080966.db2.gz IFGHSMRYRBXUFE-UHFFFAOYSA-N 0 0 346.452 2.445 40 0 EEABRN CN(Cc1ccco1)C(=O)Cn1cc(COc2ccc(F)cc2)nn1 ZINC000227167536 242126898 /nfs/dbraw/zinc/12/68/98/242126898.db2.gz SUYWACHHEHZCJR-UHFFFAOYSA-N 0 0 344.346 2.248 40 0 EEABRN O=C(Cc1ccncc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000241126068 242983582 /nfs/dbraw/zinc/98/35/82/242983582.db2.gz JJFGASZLMCSJHY-UHFFFAOYSA-N 0 0 349.232 2.447 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)ccc1F ZINC000241795496 243002672 /nfs/dbraw/zinc/00/26/72/243002672.db2.gz RZQJVADIWZIOMQ-QWHCGFSZSA-N 0 0 349.406 2.418 40 0 EEABRN O=C(N[C@@H]1CCCc2nc(N3CCOCC3)ncc21)C1CCCCC1 ZINC000013265694 284044515 /nfs/dbraw/zinc/04/45/15/284044515.db2.gz YQPPFUJTJYWVHE-MRXNPFEDSA-N 0 0 344.459 2.387 40 0 EEABRN COC(=O)C1(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCOCC1 ZINC000253431999 243986628 /nfs/dbraw/zinc/98/66/28/243986628.db2.gz ILJIDIJWDCRKET-LSDHHAIUSA-N 0 0 338.448 2.224 40 0 EEABRN CCn1cnnc1CNC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000092879206 203086863 /nfs/dbraw/zinc/08/68/63/203086863.db2.gz DWZCTCBUSDKTAY-UHFFFAOYSA-N 0 0 329.404 2.335 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2ccccn2)CS3)on1 ZINC000253600054 244031540 /nfs/dbraw/zinc/03/15/40/244031540.db2.gz DFGZRNQDHFCTCL-LBPRGKRZSA-N 0 0 331.397 2.157 40 0 EEABRN CC(C)c1nccn1CCC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257202295 244123496 /nfs/dbraw/zinc/12/34/96/244123496.db2.gz ALEOKSQRVUSJGW-AWEZNQCLSA-N 0 0 343.431 2.298 40 0 EEABRN Cc1cncc([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257217275 244172014 /nfs/dbraw/zinc/17/20/14/244172014.db2.gz CYHVVPZJCFIKEN-QGZVFWFLSA-N 0 0 334.383 2.343 40 0 EEABRN CS(=O)(=O)CCn1nc(-c2cccs2)c2ccccc2c1=O ZINC000072032081 203159478 /nfs/dbraw/zinc/15/94/78/203159478.db2.gz WFPPNNFMJKZMRR-UHFFFAOYSA-N 0 0 334.422 2.170 40 0 EEABRN CCn1nccc1-c1cc([C@@H]2CCCCN2C(=O)COC)nc(C)n1 ZINC000257215959 244166886 /nfs/dbraw/zinc/16/68/86/244166886.db2.gz CSKZROGESNUEOF-INIZCTEOSA-N 0 0 343.431 2.368 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000257225553 244198879 /nfs/dbraw/zinc/19/88/79/244198879.db2.gz FGSPQYNNXOAQFW-GFCCVEGCSA-N 0 0 341.415 2.021 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1F ZINC000257227189 244204821 /nfs/dbraw/zinc/20/48/21/244204821.db2.gz FOBDSULRQRJZED-INIZCTEOSA-N 0 0 329.375 2.398 40 0 EEABRN c1cnc(N2CCC(c3nccnc3Nc3cnccn3)CC2)nc1 ZINC000072368933 203209016 /nfs/dbraw/zinc/20/90/16/203209016.db2.gz AILRLMUHBYCOFG-UHFFFAOYSA-N 0 0 334.387 2.184 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccsc3)CCN2C)c1 ZINC000257246264 244258263 /nfs/dbraw/zinc/25/82/63/244258263.db2.gz ITIUGXMTHCICPI-INIZCTEOSA-N 0 0 343.452 2.237 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1c(F)cccc1F ZINC000072325067 203200903 /nfs/dbraw/zinc/20/09/03/203200903.db2.gz FJCVRXJKRDFLCW-SNVBAGLBSA-N 0 0 347.321 2.476 40 0 EEABRN CC(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 ZINC000072361780 203206391 /nfs/dbraw/zinc/20/63/91/203206391.db2.gz YBNNZEGOVIYRBG-AWEZNQCLSA-N 0 0 326.404 2.353 40 0 EEABRN NC(=O)CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072367827 203208225 /nfs/dbraw/zinc/20/82/25/203208225.db2.gz WEHXGFLHKAQXAR-CYBMUJFWSA-N 0 0 330.819 2.462 40 0 EEABRN Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000072374649 203208552 /nfs/dbraw/zinc/20/85/52/203208552.db2.gz JCLDVIJLNNZVRV-CQSZACIVSA-N 0 0 348.410 2.210 40 0 EEABRN Cn1ccnc1-c1cnc([C@H]2CCCN2C(=O)c2cccnc2)cn1 ZINC000257247549 244260964 /nfs/dbraw/zinc/26/09/64/244260964.db2.gz IZLMUUXBONWCJN-MRXNPFEDSA-N 0 0 334.383 2.249 40 0 EEABRN Cc1cc(C[C@H]2COCCN(C(=O)Cc3ccsc3)C2)ncn1 ZINC000257251038 244268460 /nfs/dbraw/zinc/26/84/60/244268460.db2.gz JPDCRBZERILFQM-OAHLLOKOSA-N 0 0 331.441 2.107 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 ZINC000257254144 244275820 /nfs/dbraw/zinc/27/58/20/244275820.db2.gz KBVWRZXTYKKVGY-INIZCTEOSA-N 0 0 343.431 2.095 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cncc(-c3c(C)nn(C)c3C)n2)C1 ZINC000257270542 244377481 /nfs/dbraw/zinc/37/74/81/244377481.db2.gz MURDEUBEYOAZPW-HNNXBMFYSA-N 0 0 327.432 2.295 40 0 EEABRN CNc1ncccc1CN1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257261215 244348544 /nfs/dbraw/zinc/34/85/44/244348544.db2.gz LGFIYKWZJWMLRL-GOSISDBHSA-N 0 0 339.443 2.492 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)nc(C)n1 ZINC000257262318 244351284 /nfs/dbraw/zinc/35/12/84/244351284.db2.gz LKXQFXMVRLVRGV-OAHLLOKOSA-N 0 0 328.420 2.085 40 0 EEABRN O=C(c1cccn(Cc2ccccc2F)c1=O)N1CCC[C@H](O)CC1 ZINC000257287734 244427229 /nfs/dbraw/zinc/42/72/29/244427229.db2.gz PRGYDKFTIDRPEH-HNNXBMFYSA-N 0 0 344.386 2.023 40 0 EEABRN CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000257289942 244431135 /nfs/dbraw/zinc/43/11/35/244431135.db2.gz QAWFFVBLGASCBX-GOSISDBHSA-N 0 0 344.436 2.281 40 0 EEABRN Cc1nc(CC(=O)N2CCC(c3ccnc4ccnn43)CC2)cs1 ZINC000257316950 244506387 /nfs/dbraw/zinc/50/63/87/244506387.db2.gz VHRRIEQFFDTSEH-UHFFFAOYSA-N 0 0 341.440 2.443 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042630 203802215 /nfs/dbraw/zinc/80/22/15/203802215.db2.gz DDYKNDQTQQEGBS-OAGGEKHMSA-N 0 0 332.375 2.468 40 0 EEABRN CCOC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2c1cnn2C ZINC000096044622 203803458 /nfs/dbraw/zinc/80/34/58/203803458.db2.gz VUVYMCXITRYFQZ-HNNXBMFYSA-N 0 0 343.427 2.352 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096069677 203822209 /nfs/dbraw/zinc/82/22/09/203822209.db2.gz MFOVYLPQEQMBNF-MRXNPFEDSA-N 0 0 337.423 2.304 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096221900 203874625 /nfs/dbraw/zinc/87/46/25/203874625.db2.gz ZAUIKHRGEFRQOO-DOTOQJQBSA-N 0 0 331.412 2.252 40 0 EEABRN Cc1ccc(/C=C\C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)o1 ZINC000098013172 203977768 /nfs/dbraw/zinc/97/77/68/203977768.db2.gz SZXQEWJORWRQAO-HIZYVFIXSA-N 0 0 325.430 2.415 40 0 EEABRN CCCCOCCCNC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000043419460 204260262 /nfs/dbraw/zinc/26/02/62/204260262.db2.gz GRJBGLRIOOZHAG-UHFFFAOYSA-N 0 0 328.434 2.418 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000047654613 204339960 /nfs/dbraw/zinc/33/99/60/204339960.db2.gz JSXRVDJCXPVFIC-UHFFFAOYSA-N 0 0 332.425 2.223 40 0 EEABRN CC(C)c1cccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c1 ZINC000044376189 204299846 /nfs/dbraw/zinc/29/98/46/204299846.db2.gz GIDIGOXEKBVBOL-MRXNPFEDSA-N 0 0 340.427 2.176 40 0 EEABRN COC(=O)NCC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000048950948 204360150 /nfs/dbraw/zinc/36/01/50/204360150.db2.gz IMCGOHGMCJWXQX-UHFFFAOYSA-N 0 0 341.205 2.301 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl ZINC000156781718 206099095 /nfs/dbraw/zinc/09/90/95/206099095.db2.gz PVSVQHMZPAFBAN-UHFFFAOYSA-N 0 0 340.788 2.000 40 0 EEABRN COC[C@@](C)(CCO)NC(=O)Nc1cc(F)cc(Br)c1 ZINC000095411784 218349247 /nfs/dbraw/zinc/34/92/47/218349247.db2.gz NVDUZQDPUMYXDE-CYBMUJFWSA-N 0 0 349.200 2.497 40 0 EEABRN Cc1ccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)nn1 ZINC000096119458 218611523 /nfs/dbraw/zinc/61/15/23/218611523.db2.gz YBAMQSCCIGCJRQ-UHFFFAOYSA-N 0 0 339.442 2.079 40 0 EEABRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccccn1 ZINC000096405399 218755422 /nfs/dbraw/zinc/75/54/22/218755422.db2.gz NGEUEQHDDJXJLY-SOFGYWHQSA-N 0 0 340.379 2.499 40 0 EEABRN Cn1nccc1C(=O)OCCOc1ccccc1Br ZINC000096407097 218758375 /nfs/dbraw/zinc/75/83/75/218758375.db2.gz PUOAXDKZSAHOFD-UHFFFAOYSA-N 0 0 325.162 2.418 40 0 EEABRN C[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1nc(C(C)(C)C)no1 ZINC000177582428 207359654 /nfs/dbraw/zinc/35/96/54/207359654.db2.gz PLFXNCWVNOFIPW-STQMWFEESA-N 0 0 346.435 2.499 40 0 EEABRN CC(C)COC[C@H](C)NC(=O)NC[C@H](O)c1c(F)cccc1F ZINC000096419907 218783605 /nfs/dbraw/zinc/78/36/05/218783605.db2.gz ITTJAQYVPXTGSF-FZMZJTMJSA-N 0 0 330.375 2.359 40 0 EEABRN COc1cccc(F)c1[C@H](C)NC(=O)CNC(=O)c1ccoc1C ZINC000096440989 218823253 /nfs/dbraw/zinc/82/32/53/218823253.db2.gz PPPRENSIGNNVAU-JTQLQIEISA-N 0 0 334.347 2.343 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)NCCCCc2cnn(C)c2)C12CCC2 ZINC000096444016 218825588 /nfs/dbraw/zinc/82/55/88/218825588.db2.gz FRCWDLWZGZMWQZ-CVEARBPZSA-N 0 0 334.464 2.390 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)s2)o1 ZINC000097237742 219003256 /nfs/dbraw/zinc/00/32/56/219003256.db2.gz AXJFRGNEMCTHOI-PWSUYJOCSA-N 0 0 334.397 2.079 40 0 EEABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O ZINC000409106403 257879118 /nfs/dbraw/zinc/87/91/18/257879118.db2.gz NGUGZFFHLSCBFZ-UWZPUTRXSA-N 0 0 349.364 2.322 40 0 EEABRN Cc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000020236675 292103241 /nfs/dbraw/zinc/10/32/41/292103241.db2.gz TTWFNWWAWWLPCA-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 ZINC000057355922 286068184 /nfs/dbraw/zinc/06/81/84/286068184.db2.gz AKCYXIDWGBKPCA-SJLPKXTDSA-N 0 0 332.444 2.447 40 0 EEABRN Cc1ccc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)c(=O)n1C ZINC000279051721 269258882 /nfs/dbraw/zinc/25/88/82/269258882.db2.gz PJCYKTOWFKMXDK-LBPRGKRZSA-N 0 0 331.338 2.178 40 0 EEABRN Cc1noc(C)c1CCNS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271514782 274138441 /nfs/dbraw/zinc/13/84/41/274138441.db2.gz ZGGPPRPTQIDJKH-UHFFFAOYSA-N 0 0 336.413 2.137 40 0 EEABRN Cc1csc([C@@H]2C[C@@H]3CCN(C(=O)c4ccncn4)C[C@H]3O2)n1 ZINC000097953904 293059645 /nfs/dbraw/zinc/05/96/45/293059645.db2.gz QDMMTUUKIXLLQH-FPMFFAJLSA-N 0 0 330.413 2.234 40 0 EEABRN Cc1csc2c1nc1n(c2=O)CCN(Cc2ccccn2)CC1 ZINC000019240334 293067679 /nfs/dbraw/zinc/06/76/79/293067679.db2.gz QTGFXLWEIHKCIQ-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN C[C@H]1CCS(=O)(=O)CCN1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296777575 294064993 /nfs/dbraw/zinc/06/49/93/294064993.db2.gz GSKFTTSGGYJVKD-BPUTZDHNSA-N 0 0 336.457 2.009 40 0 EEABRN Cn1ccc(N2CCC[C@@H](Sc3nnc4n3CCCCC4)C2=O)n1 ZINC000133478315 294347051 /nfs/dbraw/zinc/34/70/51/294347051.db2.gz NMLVIDABGHZDEF-GFCCVEGCSA-N 0 0 346.460 2.026 40 0 EEABRN COc1cc2c(cc1OC)[C@@](Cc1ccc(O)cc1)(C(=O)[O-])[NH2+]CC2 ZINC000003847487 295041427 /nfs/dbraw/zinc/04/14/27/295041427.db2.gz ZJOKSZSIKCPBFR-IBGZPJMESA-N 0 0 343.379 2.078 40 0 EEABRN COc1ccc([C@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)cc1F ZINC000330755349 311783575 /nfs/dbraw/zinc/78/35/75/311783575.db2.gz GEBSWFCSDDYXEA-NSHDSACASA-N 0 0 343.420 2.369 40 0 EEABRN CNC(=O)NCC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000191761401 323475860 /nfs/dbraw/zinc/47/58/60/323475860.db2.gz FDADNKFNOKLNRX-UHFFFAOYSA-N 0 0 331.338 2.028 40 0 EEABRN COc1ccc(CNC(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000060278154 462541351 /nfs/dbraw/zinc/54/13/51/462541351.db2.gz XFNMVKMKEOSSEC-UHFFFAOYSA-N 0 0 333.432 2.287 40 0 EEABRN O=S(=O)(c1ccco1)N1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000188727847 464353383 /nfs/dbraw/zinc/35/33/83/464353383.db2.gz KJOHHHZDCHRRNE-CQSZACIVSA-N 0 0 329.381 2.469 40 0 EEABRN COC(=O)[C@@H](NC(=O)c1cnn(C(C)C)c1N)c1ccc(C)c(C)c1 ZINC000252489136 464965238 /nfs/dbraw/zinc/96/52/38/464965238.db2.gz JGWLVMMFOVXGNK-HNNXBMFYSA-N 0 0 344.415 2.307 40 0 EEABRN COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 ZINC000000000640 462539854 /nfs/dbraw/zinc/53/98/54/462539854.db2.gz VJXSSYDSOJBUAV-UHFFFAOYSA-N 0 0 325.372 2.106 40 0 investigational EEABRN Cc1ccc(NC(=O)C[C@@H]([NH2+]C[C@@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000000195700 462546740 /nfs/dbraw/zinc/54/67/40/462546740.db2.gz VKMIWJQQHDJFNJ-GXTWGEPZSA-N 0 0 340.807 2.199 40 0 EEABRN Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CC1 ZINC000000413019 462558931 /nfs/dbraw/zinc/55/89/31/462558931.db2.gz IDKZYTWINKORAA-UHFFFAOYSA-N 0 0 332.385 2.152 40 0 EEABRN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000000428748 462562284 /nfs/dbraw/zinc/56/22/84/462562284.db2.gz SYLLLNRUMBHYAQ-UHFFFAOYSA-N 0 0 336.457 2.406 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000000557389 462570437 /nfs/dbraw/zinc/57/04/37/462570437.db2.gz ZQVKLQLYJFUKJE-UHFFFAOYSA-N 0 0 345.215 2.127 40 0 EEABRN O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCCCC1)n1ccccc1=O ZINC000000819357 462575051 /nfs/dbraw/zinc/57/50/51/462575051.db2.gz XCDZZUKIZJTHMU-QGZVFWFLSA-N 0 0 342.370 2.424 40 0 EEABRN Nc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000001372670 462580282 /nfs/dbraw/zinc/58/02/82/462580282.db2.gz RVBMGCKBZDGGQM-UHFFFAOYSA-N 0 0 328.763 2.214 40 0 EEABRN CCOc1ccc2c(c1)[n+]([O-])c(-c1ccc(Cl)cc1)c(N)[n+]2[O-] ZINC000001616541 462584663 /nfs/dbraw/zinc/58/46/63/462584663.db2.gz MAMMTJLEXUOMJF-UHFFFAOYSA-N 0 0 331.759 2.408 40 0 EEABRN C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1cccc(N2CCCC2)c1 ZINC000087058733 462587400 /nfs/dbraw/zinc/58/74/00/462587400.db2.gz CTVHZSHMGYCBHS-KGLIPLIRSA-N 0 0 332.448 2.124 40 0 EEABRN CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1 ZINC000002039588 462589078 /nfs/dbraw/zinc/58/90/78/462589078.db2.gz KEJXLQUPYHWCNM-UHFFFAOYSA-N 0 0 337.416 2.438 40 0 in-man EEABRN Cn1c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc2oc1=O ZINC000062089165 462607598 /nfs/dbraw/zinc/60/75/98/462607598.db2.gz GLPZYDDOZABTMS-UHFFFAOYSA-N 0 0 344.392 2.421 40 0 EEABRN CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000113962669 462618698 /nfs/dbraw/zinc/61/86/98/462618698.db2.gz WFYKJUQLIGUOSR-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1cccc(Cl)c1 ZINC000004157319 462629461 /nfs/dbraw/zinc/62/94/61/462629461.db2.gz CLRNTUYCMVCXBM-VZAMPYOESA-N 0 0 344.798 2.458 40 0 EEABRN O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1O)[NH2+]Cc1ccco1 ZINC000004939785 462641126 /nfs/dbraw/zinc/64/11/26/462641126.db2.gz ALRVPBYRVYBAKF-LBPRGKRZSA-N 0 0 338.747 2.210 40 0 EEABRN O[C@@H]1O[C@H](COc2cc(Cl)c(Cl)cc2Cl)CO[C@@H]1O ZINC000005722636 462667388 /nfs/dbraw/zinc/66/73/88/462667388.db2.gz JGIHPWVJUMJHHI-KLDFYJGESA-N 0 0 329.563 2.078 40 0 EEABRN O=C(NCc1ccc(F)cc1)NC[C@@]1(O)CCOc2ccccc21 ZINC000075158190 462688655 /nfs/dbraw/zinc/68/86/55/462688655.db2.gz PWMWTADLDAIPQE-SFHVURJKSA-N 0 0 330.359 2.295 40 0 EEABRN C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1OCC ZINC000006959267 462713655 /nfs/dbraw/zinc/71/36/55/462713655.db2.gz GUJURURCOKBQFR-XYOKQWHBSA-N 0 0 334.759 2.273 40 0 EEABRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)no1 ZINC000008416018 462783582 /nfs/dbraw/zinc/78/35/82/462783582.db2.gz BFWFEZIKNSSRBU-UHFFFAOYSA-N 0 0 345.355 2.192 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012162813 462845513 /nfs/dbraw/zinc/84/55/13/462845513.db2.gz KJKIXWYOKXCDNX-AWEZNQCLSA-N 0 0 327.384 2.058 40 0 EEABRN O=C(CCN1CCCC1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012221905 462847501 /nfs/dbraw/zinc/84/75/01/462847501.db2.gz FFJXEYVWSGERAT-OAHLLOKOSA-N 0 0 326.400 2.239 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)cc1 ZINC000012337199 462850293 /nfs/dbraw/zinc/85/02/93/462850293.db2.gz QLSXBOULVNMMJQ-UHFFFAOYSA-N 0 0 327.384 2.164 40 0 EEABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCN1CCOCC1 ZINC000013709488 462901553 /nfs/dbraw/zinc/90/15/53/462901553.db2.gz RXKQSNGKCKEOMP-OAHLLOKOSA-N 0 0 328.412 2.056 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000016637332 462984807 /nfs/dbraw/zinc/98/48/07/462984807.db2.gz GVWRKHWQDVFKRT-CYBMUJFWSA-N 0 0 342.461 2.011 40 0 EEABRN C[C@@](O)(CNC(=O)NCCc1nccn1C(F)F)c1ccsc1 ZINC000077562025 463006360 /nfs/dbraw/zinc/00/63/60/463006360.db2.gz SRAZFBBMLWTRKZ-CQSZACIVSA-N 0 0 344.387 2.089 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019118168 463013962 /nfs/dbraw/zinc/01/39/62/463013962.db2.gz ZGBHSLLZYGCRDG-CYBMUJFWSA-N 0 0 341.367 2.239 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000134358899 463030155 /nfs/dbraw/zinc/03/01/55/463030155.db2.gz JGUXDNQBTLEQEI-GMXVVIOVSA-N 0 0 328.359 2.207 40 0 EEABRN COc1cc(CO)c(Br)cc1OCC(=O)NC(C)(C)C ZINC000095095077 463067078 /nfs/dbraw/zinc/06/70/78/463067078.db2.gz RZHLXJXZZVPDDN-UHFFFAOYSA-N 0 0 346.221 2.244 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000095405985 463078430 /nfs/dbraw/zinc/07/84/30/463078430.db2.gz CUNWAVPDIYITNP-MNOVXSKESA-N 0 0 341.395 2.439 40 0 EEABRN CN(C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)C1CCC1 ZINC000095408913 463078587 /nfs/dbraw/zinc/07/85/87/463078587.db2.gz DKYLUUZCZLLMHG-QGZVFWFLSA-N 0 0 329.444 2.414 40 0 EEABRN Cc1sc(=O)n(CCC(=O)N2CCC(=O)Nc3ccccc32)c1C ZINC000135097127 463118972 /nfs/dbraw/zinc/11/89/72/463118972.db2.gz OEBBAIHGHAJQFL-UHFFFAOYSA-N 0 0 345.424 2.292 40 0 EEABRN Cc1cccc2c(CCNC(=O)N3CCOC[C@H]3C[C@@H](C)O)c[nH]c21 ZINC000135313103 463142546 /nfs/dbraw/zinc/14/25/46/463142546.db2.gz XUHCPSHUMYBKME-GDBMZVCRSA-N 0 0 345.443 2.200 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@H]2OCC[C@@]2(c2nc(C)no2)C1 ZINC000096038742 463143981 /nfs/dbraw/zinc/14/39/81/463143981.db2.gz UAWHFDDXCPUHET-MLGOLLRUSA-N 0 0 333.413 2.321 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)n1 ZINC000096041814 463146200 /nfs/dbraw/zinc/14/62/00/463146200.db2.gz NXTOVHIYMBEMIO-ZMSDIMECSA-N 0 0 331.441 2.487 40 0 EEABRN Cc1ccoc1C(=O)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041691 463146365 /nfs/dbraw/zinc/14/63/65/463146365.db2.gz AHHUTWNUSSCDPP-ZMSDIMECSA-N 0 0 328.368 2.434 40 0 EEABRN CC1(C)COC(=O)[C@@H]1OC(=O)CCC(=O)c1ccc(F)cc1F ZINC000078768608 463147352 /nfs/dbraw/zinc/14/73/52/463147352.db2.gz OXEVBCRVFLBNNH-AWEZNQCLSA-N 0 0 326.295 2.423 40 0 EEABRN Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)cnn1C ZINC000078769777 463147470 /nfs/dbraw/zinc/14/74/70/463147470.db2.gz RUEUCIRPFABFBN-HNNXBMFYSA-N 0 0 344.440 2.191 40 0 EEABRN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cc2)C[C@H](C)O1 ZINC000078773370 463147932 /nfs/dbraw/zinc/14/79/32/463147932.db2.gz JQLGFJMJVMKPJK-OKILXGFUSA-N 0 0 347.440 2.496 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1nccs1)c1ccco1 ZINC000096055378 463158307 /nfs/dbraw/zinc/15/83/07/463158307.db2.gz FGBDWEMQSSHFIW-WOSRLPQWSA-N 0 0 347.440 2.146 40 0 EEABRN C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccsc1 ZINC000096062054 463161072 /nfs/dbraw/zinc/16/10/72/463161072.db2.gz OQMGBZNEYSWFNM-GFCCVEGCSA-N 0 0 327.413 2.406 40 0 EEABRN Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(C(=O)Cc3cccs3)C2)n1 ZINC000096064927 463162926 /nfs/dbraw/zinc/16/29/26/463162926.db2.gz GYMUALRNVWUEEK-MRVWCRGKSA-N 0 0 333.413 2.156 40 0 EEABRN Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)c1 ZINC000096072583 463167079 /nfs/dbraw/zinc/16/70/79/463167079.db2.gz FOIMUPTXZUGUEJ-MAUKXSAKSA-N 0 0 326.400 2.204 40 0 EEABRN c1cnc(N2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)nc1 ZINC000096073597 463167145 /nfs/dbraw/zinc/16/71/45/463167145.db2.gz HSRPGTUBNZIRHQ-WMZOPIPTSA-N 0 0 326.400 2.216 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)nn1 ZINC000096074848 463169455 /nfs/dbraw/zinc/16/94/55/463169455.db2.gz YOZVNZKHGVXTDF-GOSISDBHSA-N 0 0 328.416 2.249 40 0 EEABRN CS(=O)(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000096098190 463171658 /nfs/dbraw/zinc/17/16/58/463171658.db2.gz FDHRNYISYVZYIW-UHFFFAOYSA-N 0 0 325.474 2.238 40 0 EEABRN Cc1cc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(C)o1 ZINC000096104243 463174326 /nfs/dbraw/zinc/17/43/26/463174326.db2.gz INYKKQMTJSUPTG-UHFFFAOYSA-N 0 0 337.372 2.334 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107364 463175990 /nfs/dbraw/zinc/17/59/90/463175990.db2.gz YFGQELUCNYCGRG-KDOFPFPSSA-N 0 0 343.383 2.221 40 0 EEABRN CC[C@H](NC(=O)NCCOC)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000079028952 463180726 /nfs/dbraw/zinc/18/07/26/463180726.db2.gz UFNAAEZPGOIWIO-QWHCGFSZSA-N 0 0 334.338 2.463 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)c2cccc(Cl)c2)n1 ZINC000096120899 463182034 /nfs/dbraw/zinc/18/20/34/463182034.db2.gz CEYRTZCZHNVYFZ-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN CC(C)(CNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl ZINC000079041247 463182782 /nfs/dbraw/zinc/18/27/82/463182782.db2.gz LJBRTOQLTHBNJT-JTQLQIEISA-N 0 0 347.839 2.308 40 0 EEABRN O=C(c1cscn1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096158995 463191235 /nfs/dbraw/zinc/19/12/35/463191235.db2.gz LFHRKRFQFHZNTC-UHFFFAOYSA-N 0 0 344.440 2.050 40 0 EEABRN O=C(c1ccccc1F)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185068 463195357 /nfs/dbraw/zinc/19/53/57/463195357.db2.gz IHQNRALFEDTXEA-JQHSSLGASA-N 0 0 342.370 2.277 40 0 EEABRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000054033009 463203708 /nfs/dbraw/zinc/20/37/08/463203708.db2.gz SZEJFLOOMCTUSN-UHFFFAOYSA-N 0 0 341.386 2.389 40 0 EEABRN O=C(CCOCc1ccccc1)NCCNC(=O)CC1CCCC1 ZINC000079335761 463207303 /nfs/dbraw/zinc/20/73/03/463207303.db2.gz FSPYSSIDGLGBTM-UHFFFAOYSA-N 0 0 332.444 2.406 40 0 EEABRN CN(C)c1ccc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000079349757 463207965 /nfs/dbraw/zinc/20/79/65/463207965.db2.gz KHGNROOHCPLNBD-UHFFFAOYSA-N 0 0 347.356 2.411 40 0 EEABRN Cc1cccnc1[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000079358108 463208144 /nfs/dbraw/zinc/20/81/44/463208144.db2.gz JAANVDCDZBCOCZ-MRXNPFEDSA-N 0 0 336.399 2.493 40 0 EEABRN Cc1cc(CN2CC[C@]3(C2)C[C@@H](Nc2ncccn2)CCO3)no1 ZINC000096205975 463208868 /nfs/dbraw/zinc/20/88/68/463208868.db2.gz CQQJEBYEMGEHND-WMLDXEAASA-N 0 0 329.404 2.009 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000096219032 463216423 /nfs/dbraw/zinc/21/64/23/463216423.db2.gz XDVZZGXLKVDTML-CRAIPNDOSA-N 0 0 327.384 2.469 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096218514 463216684 /nfs/dbraw/zinc/21/66/84/463216684.db2.gz WSLXFZSOODTPSO-RWMBFGLXSA-N 0 0 333.413 2.220 40 0 EEABRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)c1ccno1)CC2 ZINC000096227857 463222245 /nfs/dbraw/zinc/22/22/45/463222245.db2.gz OWNPPPWFLWIPLA-AWEZNQCLSA-N 0 0 331.416 2.223 40 0 EEABRN CC(C)CC(=O)N1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244119 463225176 /nfs/dbraw/zinc/22/51/76/463225176.db2.gz HVDNXBCLBANTKQ-IBGZPJMESA-N 0 0 344.459 2.345 40 0 EEABRN Cc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404374 463239063 /nfs/dbraw/zinc/23/90/63/463239063.db2.gz NVVVDMMFSGCYLY-RZFZLAGVSA-N 0 0 344.436 2.370 40 0 EEABRN COC[C@H](O)CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000096410661 463243776 /nfs/dbraw/zinc/24/37/76/463243776.db2.gz FLFOJUKWKPXFPJ-MRVPVSSYSA-N 0 0 326.702 2.488 40 0 EEABRN CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3ccoc3C)cc21 ZINC000096413030 463244752 /nfs/dbraw/zinc/24/47/52/463244752.db2.gz BCDSINMULHWZLO-UHFFFAOYSA-N 0 0 348.424 2.366 40 0 EEABRN CC(C)(CNc1ncnc2cccc(F)c21)N1CCS(=O)CC1 ZINC000096418728 463250175 /nfs/dbraw/zinc/25/01/75/463250175.db2.gz VWFOMMDVSIYPCL-UHFFFAOYSA-N 0 0 336.436 2.024 40 0 EEABRN Cc1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000096419981 463251854 /nfs/dbraw/zinc/25/18/54/463251854.db2.gz YRAFNMRWUPFLDT-CYBMUJFWSA-N 0 0 328.199 2.348 40 0 EEABRN CC(C)COC[C@@H](C)NC(=O)NC[C@H](O)c1c(F)cccc1F ZINC000096419906 463251867 /nfs/dbraw/zinc/25/18/67/463251867.db2.gz ITTJAQYVPXTGSF-RISCZKNCSA-N 0 0 330.375 2.359 40 0 EEABRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccsc2)ccc1F ZINC000096423975 463253564 /nfs/dbraw/zinc/25/35/64/463253564.db2.gz SXXKOYXHTWMNJA-UHFFFAOYSA-N 0 0 328.390 2.390 40 0 EEABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426300 463255660 /nfs/dbraw/zinc/25/56/60/463255660.db2.gz VRJSAMBBLXBRHT-ZDUSSCGKSA-N 0 0 340.489 2.187 40 0 EEABRN O=S(=O)(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCOC1 ZINC000096428237 463257947 /nfs/dbraw/zinc/25/79/47/463257947.db2.gz OFJJGLZAJQHEMA-QWHCGFSZSA-N 0 0 344.864 2.017 40 0 EEABRN CC[C@H](CNC(=O)c1cncc(C)c1)NC(=O)c1cncc(C)c1 ZINC000096430898 463260461 /nfs/dbraw/zinc/26/04/61/463260461.db2.gz NQNXLDYAUURDEL-MRXNPFEDSA-N 0 0 326.400 2.032 40 0 EEABRN C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1nc(C(C)(C)C)no1 ZINC000096432758 463261010 /nfs/dbraw/zinc/26/10/10/463261010.db2.gz NZPAYFDKYICOQW-NSHDSACASA-N 0 0 340.387 2.439 40 0 EEABRN Cc1cccc(CCC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000096432214 463261161 /nfs/dbraw/zinc/26/11/61/463261161.db2.gz IKHXQFNAOAMODB-HNNXBMFYSA-N 0 0 347.440 2.122 40 0 EEABRN CCc1cnc(CCNC(=O)Nc2ccc(CC(=O)NC)cc2)s1 ZINC000096433955 463262351 /nfs/dbraw/zinc/26/23/51/463262351.db2.gz HTZSEGTTZFRWFY-UHFFFAOYSA-N 0 0 346.456 2.358 40 0 EEABRN CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)CCc2cccn2C)cc1 ZINC000096433958 463262506 /nfs/dbraw/zinc/26/25/06/463262506.db2.gz LVONCSGVSGLWAL-AWEZNQCLSA-N 0 0 342.443 2.456 40 0 EEABRN CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000069516300 463265248 /nfs/dbraw/zinc/26/52/48/463265248.db2.gz FYPBNXXQDNFHNT-OAHLLOKOSA-N 0 0 338.473 2.250 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)Nn2cnc3ccccc32)c(C)o1 ZINC000096437474 463265870 /nfs/dbraw/zinc/26/58/70/463265870.db2.gz OZGPPTCHANERGI-QGZVFWFLSA-N 0 0 328.372 2.407 40 0 EEABRN CCC(CC)(CNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O ZINC000096441312 463267192 /nfs/dbraw/zinc/26/71/92/463267192.db2.gz UZONFOMDUGJSOJ-UHFFFAOYSA-N 0 0 326.462 2.086 40 0 EEABRN CO[C@]1(C)C[C@H](NC(=O)CCn2c(C)c(C)sc2=O)C1(C)C ZINC000096443837 463269465 /nfs/dbraw/zinc/26/94/65/463269465.db2.gz LSVFGHGFHCIRDV-BLLLJJGKSA-N 0 0 326.462 2.237 40 0 EEABRN Cn1cc(C(=O)OC2CCN(c3nncc4ccccc43)CC2)cn1 ZINC000096447611 463270589 /nfs/dbraw/zinc/27/05/89/463270589.db2.gz XNIJSZGQZGBKNZ-UHFFFAOYSA-N 0 0 337.383 2.189 40 0 EEABRN Cn1cc(C[C@@H]2CC(=O)N(CCc3ccccc3Cl)C2=O)cn1 ZINC000096449291 463272319 /nfs/dbraw/zinc/27/23/19/463272319.db2.gz YTKCOZYHYZSTOX-CQSZACIVSA-N 0 0 331.803 2.234 40 0 EEABRN COc1ccc(-c2ncc(C(=O)N3CCS(=O)CC3)s2)cc1 ZINC000080033921 463273566 /nfs/dbraw/zinc/27/35/66/463273566.db2.gz QIUHKTRUSZEEDI-UHFFFAOYSA-N 0 0 336.438 2.023 40 0 EEABRN Cc1ccnc2nc(C(=O)NC[C@H]3SCCc4ccccc43)nn21 ZINC000096454668 463273917 /nfs/dbraw/zinc/27/39/17/463273917.db2.gz FALKLWBLGAPCTE-CQSZACIVSA-N 0 0 339.424 2.193 40 0 EEABRN CN(Cc1nnc(C2CC2)n1C)C(=O)c1c(O)cnc2ccccc21 ZINC000096466458 463277621 /nfs/dbraw/zinc/27/76/21/463277621.db2.gz DHZZMUUKCCRDTA-UHFFFAOYSA-N 0 0 337.383 2.219 40 0 EEABRN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000096473688 463279281 /nfs/dbraw/zinc/27/92/81/463279281.db2.gz LZILEULNGYRGDU-HOTGVXAUSA-N 0 0 332.448 2.487 40 0 EEABRN O=C(Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1)C1=CCCC1 ZINC000096471862 463279285 /nfs/dbraw/zinc/27/92/85/463279285.db2.gz KAGBLOLGMCXIEQ-UHFFFAOYSA-N 0 0 338.404 2.109 40 0 EEABRN O=S(=O)(c1cccnc1)N(Cc1nnc(C2CCC2)o1)C1CC1 ZINC000096480899 463281372 /nfs/dbraw/zinc/28/13/72/463281372.db2.gz WEVQMOVBWBOULD-UHFFFAOYSA-N 0 0 334.401 2.085 40 0 EEABRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCOC1 ZINC000096483723 463282502 /nfs/dbraw/zinc/28/25/02/463282502.db2.gz RQSQQQQXRDXPKH-GWCFXTLKSA-N 0 0 327.222 2.468 40 0 EEABRN COCCS(=O)(=O)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096492642 463287695 /nfs/dbraw/zinc/28/76/95/463287695.db2.gz QCBTZBRGOSCVSM-ZDUSSCGKSA-N 0 0 337.445 2.027 40 0 EEABRN Cn1cnc(-c2cccc(NC(=O)N3CCOC[C@H]3C3CC3)c2)n1 ZINC000097096212 463322767 /nfs/dbraw/zinc/32/27/67/463322767.db2.gz AORMLVNSZODQIW-HNNXBMFYSA-N 0 0 327.388 2.125 40 0 EEABRN Cc1cc(NC(=O)c2cc(N(C)C)ccn2)ccc1C(=O)N(C)C ZINC000097104070 463324899 /nfs/dbraw/zinc/32/48/99/463324899.db2.gz SCWIQQKLGQYEKX-UHFFFAOYSA-N 0 0 326.400 2.410 40 0 EEABRN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(C)c2O)cc1 ZINC000097129667 463331149 /nfs/dbraw/zinc/33/11/49/463331149.db2.gz MUVGYCDGZRNMCB-GFCCVEGCSA-N 0 0 348.424 2.100 40 0 EEABRN CCO[C@H](C)c1noc(CNC(=O)c2c[nH]nc2-c2ccccc2)n1 ZINC000080665098 463344216 /nfs/dbraw/zinc/34/42/16/463344216.db2.gz BDNBUCMQQZFSLK-LLVKDONJSA-N 0 0 341.371 2.487 40 0 EEABRN C[C@@H](Nc1cnn(C)c(=O)c1Cl)c1cccc(-n2cncn2)c1 ZINC000080677541 463346753 /nfs/dbraw/zinc/34/67/53/463346753.db2.gz PBMOYZFKDDXNHN-SNVBAGLBSA-N 0 0 330.779 2.188 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378953 463358523 /nfs/dbraw/zinc/35/85/23/463358523.db2.gz XEHRIFFJUFOPPP-HNNXBMFYSA-N 0 0 325.412 2.235 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 ZINC000100155839 463372371 /nfs/dbraw/zinc/37/23/71/463372371.db2.gz QOBMKJFOLKGVKH-BETUJISGSA-N 0 0 330.388 2.168 40 0 EEABRN O=C1OCCC1=CNCCCCCCCCNC=C1CCOC1=O ZINC000100367437 463373253 /nfs/dbraw/zinc/37/32/53/463373253.db2.gz PEEBSBHBBYVVPE-WXUKJITCSA-N 0 0 336.432 2.168 40 0 EEABRN O=C(NCc1cccs1)c1c[nH]c2cc3c(cc2c1=O)OCCO3 ZINC000035312745 463431309 /nfs/dbraw/zinc/43/13/09/463431309.db2.gz NACSAHKXVXMPGZ-UHFFFAOYSA-N 0 0 342.376 2.291 40 0 EEABRN CC(C)S(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@@H]2C1 ZINC000036740024 463438529 /nfs/dbraw/zinc/43/85/29/463438529.db2.gz YDULGAPHJXTEQU-XKQJLSEDSA-N 0 0 341.448 2.483 40 0 EEABRN O=C(CCn1ncc2c1cccc2Cl)NCCCn1cccn1 ZINC000040759680 463464277 /nfs/dbraw/zinc/46/42/77/463464277.db2.gz SMPUGOSJDCSLAZ-UHFFFAOYSA-N 0 0 331.807 2.483 40 0 EEABRN Nc1nccnc1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000151274829 463505123 /nfs/dbraw/zinc/50/51/23/463505123.db2.gz KNZCFSWJZNSDTB-UHFFFAOYSA-N 0 0 347.216 2.283 40 0 EEABRN CS(=O)(=O)c1ccccc1N1CCN(CCc2ccccc2)CC1 ZINC000073109892 463584313 /nfs/dbraw/zinc/58/43/13/463584313.db2.gz BCBPWJPNGVYIDR-UHFFFAOYSA-N 0 0 344.480 2.455 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(F)cc3)C2=O)o1 ZINC000107958589 463587037 /nfs/dbraw/zinc/58/70/37/463587037.db2.gz GPLGANVUVPPDLI-JYRVWZFOSA-N 0 0 344.298 2.298 40 0 EEABRN Cc1ccc(/C=C/CC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000084762159 463629763 /nfs/dbraw/zinc/62/97/63/463629763.db2.gz OEPWZKRFYZJPOM-SNAWJCMRSA-N 0 0 343.471 2.067 40 0 EEABRN CCO[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000060066212 463649267 /nfs/dbraw/zinc/64/92/67/463649267.db2.gz NXHPTKYINYXLMW-CYBMUJFWSA-N 0 0 341.429 2.038 40 0 EEABRN Cc1ccc(NC(=O)NCCc2cccc(F)c2)cc1-n1cnnn1 ZINC000044246111 463671619 /nfs/dbraw/zinc/67/16/19/463671619.db2.gz MJMOXIDTAYZBHN-UHFFFAOYSA-N 0 0 340.362 2.474 40 0 EEABRN Cn1cncc1-c1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000257284161 463761995 /nfs/dbraw/zinc/76/19/95/463761995.db2.gz PBLOGLHJTXTUFL-HNNXBMFYSA-N 0 0 348.410 2.292 40 0 EEABRN Cc1cccc(N2CCC[C@H](NC(=O)CCCn3ccnc3)C2)n1 ZINC000257298954 463767059 /nfs/dbraw/zinc/76/70/59/463767059.db2.gz ROBABPICEWUOFS-INIZCTEOSA-N 0 0 327.432 2.152 40 0 EEABRN CNc1cc(CC[C@@H]2CN(C(=O)c3cscn3)CCO2)ccn1 ZINC000257318344 463775537 /nfs/dbraw/zinc/77/55/37/463775537.db2.gz VNMYLTRNRHQUJN-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN CCn1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cn1 ZINC000257326034 463777872 /nfs/dbraw/zinc/77/78/72/463777872.db2.gz WVMRDDKUXFMKBH-QGZVFWFLSA-N 0 0 329.404 2.039 40 0 EEABRN CCCn1ccnc1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257325722 463778554 /nfs/dbraw/zinc/77/85/54/463778554.db2.gz WUDKGEAINRPGAC-MRXNPFEDSA-N 0 0 329.448 2.328 40 0 EEABRN C[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000185486405 463830339 /nfs/dbraw/zinc/83/03/39/463830339.db2.gz MCKJLNNZRVHELH-XHSDSOJGSA-N 0 0 341.459 2.422 40 0 EEABRN Cc1nnc([C@@H]2CN(c3ncc(C)cc3Br)CCO2)[nH]1 ZINC000194322452 463836016 /nfs/dbraw/zinc/83/60/16/463836016.db2.gz NSGFWPGSBKGWGI-NSHDSACASA-N 0 0 338.209 2.157 40 0 EEABRN C[C@@H]1[C@@H](C)CCN1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000178715001 463949482 /nfs/dbraw/zinc/94/94/82/463949482.db2.gz CMXPRWDHORBHNW-VHSXEESVSA-N 0 0 331.342 2.347 40 0 EEABRN Cc1cc(S(=O)(=O)Cc2nsc(N(C)C)n2)nc2ccccc12 ZINC000195067980 463985476 /nfs/dbraw/zinc/98/54/76/463985476.db2.gz XXPPGFYTDLJICK-UHFFFAOYSA-N 0 0 348.453 2.435 40 0 EEABRN CCCn1c(C)nnc1S(=O)(=O)Cc1ccn(-c2ccccc2)n1 ZINC000195202203 464016397 /nfs/dbraw/zinc/01/63/97/464016397.db2.gz LWDHBXITIXYHPE-UHFFFAOYSA-N 0 0 345.428 2.156 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000178965342 464027592 /nfs/dbraw/zinc/02/75/92/464027592.db2.gz LGYFKNUPEFGDKB-KBPBESRZSA-N 0 0 333.461 2.392 40 0 EEABRN O=C(Cc1ccc(F)cc1F)NCc1n[nH]cc1Br ZINC000195537598 464073401 /nfs/dbraw/zinc/07/34/01/464073401.db2.gz CNMJFXYKRXSRCF-UHFFFAOYSA-N 0 0 330.132 2.309 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000223197644 464137865 /nfs/dbraw/zinc/13/78/65/464137865.db2.gz DBLHKDNRPUTSQT-CQSZACIVSA-N 0 0 342.395 2.170 40 0 EEABRN Cc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1 ZINC000224251530 464150210 /nfs/dbraw/zinc/15/02/10/464150210.db2.gz DNLGZSUENNVBTN-UHFFFAOYSA-N 0 0 325.416 2.098 40 0 EEABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000224876733 464152313 /nfs/dbraw/zinc/15/23/13/464152313.db2.gz PLLMLZZPBBIJKB-CYBMUJFWSA-N 0 0 330.428 2.057 40 0 EEABRN COc1ccc(S(=O)(=O)NCCn2ccnc2C2CC2)cc1C ZINC000225568193 464172532 /nfs/dbraw/zinc/17/25/32/464172532.db2.gz LVXZWFUFZGAQTL-UHFFFAOYSA-N 0 0 335.429 2.056 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000225676274 464179337 /nfs/dbraw/zinc/17/93/37/464179337.db2.gz RPBDVLPIWIBDJB-LLVKDONJSA-N 0 0 331.384 2.419 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2sc1=O ZINC000225673274 464179410 /nfs/dbraw/zinc/17/94/10/464179410.db2.gz VRMRQFACYQVQMP-UMNHJUIQSA-N 0 0 338.454 2.067 40 0 EEABRN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000230470698 464204072 /nfs/dbraw/zinc/20/40/72/464204072.db2.gz HBDIOPLLKQUHPX-GHJWDPDVSA-N 0 0 345.411 2.336 40 0 EEABRN O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000188616000 464324935 /nfs/dbraw/zinc/32/49/35/464324935.db2.gz LAHNKVBQQSXTOG-UHFFFAOYSA-N 0 0 338.404 2.362 40 0 EEABRN Cc1ccn2ncc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)c2n1 ZINC000181234708 464461309 /nfs/dbraw/zinc/46/13/09/464461309.db2.gz UTQWZHZKFOZGNI-MRXNPFEDSA-N 0 0 336.395 2.121 40 0 EEABRN Cc1noc(C)c1CN1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000245289785 464469609 /nfs/dbraw/zinc/46/96/09/464469609.db2.gz FCGBWQMUASRUEM-OALUTQOASA-N 0 0 327.428 2.377 40 0 EEABRN C[C@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245264936 464470027 /nfs/dbraw/zinc/47/00/27/464470027.db2.gz DWPQTVCOPMWOHI-IJEWVQPXSA-N 0 0 348.443 2.331 40 0 EEABRN O=C(Cc1ccccc1)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000247884111 464711889 /nfs/dbraw/zinc/71/18/89/464711889.db2.gz WMIIZXYTKYNSKG-KRWDZBQOSA-N 0 0 338.407 2.463 40 0 EEABRN O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@H](COCC3CCOCC3)CC[C@@H]21 ZINC000247874225 464712256 /nfs/dbraw/zinc/71/22/56/464712256.db2.gz MZBMCUPIIWUAQP-SZMVWBNQSA-N 0 0 348.443 2.220 40 0 EEABRN COc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@H](OC)CS2 ZINC000247876735 464712329 /nfs/dbraw/zinc/71/23/29/464712329.db2.gz HGHYGTXGJHPRAS-ZDUSSCGKSA-N 0 0 325.405 2.110 40 0 EEABRN Cc1cc(NC(=O)CN2CCC(Oc3ccc(C)cn3)CC2)no1 ZINC000182849535 464742248 /nfs/dbraw/zinc/74/22/48/464742248.db2.gz PQDCKDFSLIASDM-UHFFFAOYSA-N 0 0 330.388 2.168 40 0 EEABRN CN1CCCN(Cc2nnnn2CC(F)(F)F)c2cc(F)ccc21 ZINC000190995875 464757457 /nfs/dbraw/zinc/75/74/57/464757457.db2.gz NMSLBWHJYHTNDS-UHFFFAOYSA-N 0 0 344.316 2.221 40 0 EEABRN COC[C@](C)(NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000183036002 464780336 /nfs/dbraw/zinc/78/03/36/464780336.db2.gz MDIUHMUPFRTNJM-FQEVSTJZSA-N 0 0 338.407 2.402 40 0 EEABRN C[C@H](C[S@](C)=O)N(C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000248721147 464791502 /nfs/dbraw/zinc/79/15/02/464791502.db2.gz GPSHNAMNXXLFIK-PVSQZPHNSA-N 0 0 326.437 2.020 40 0 EEABRN C[C@H](CNC(=O)NC[C@H]1CC[C@H](O)C1)c1nc(-c2ccccc2)no1 ZINC000191307547 464811561 /nfs/dbraw/zinc/81/15/61/464811561.db2.gz VCDUMLFYIAHAMI-IPYPFGDCSA-N 0 0 344.415 2.300 40 0 EEABRN Cc1noc(C)c1CN1Cc2ccnn2[C@H](CC(=O)NC2CCC2)C1 ZINC000252022829 464953578 /nfs/dbraw/zinc/95/35/78/464953578.db2.gz ZMMQETCWSHEMTC-MRXNPFEDSA-N 0 0 343.431 2.104 40 0 EEABRN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000252509286 464975082 /nfs/dbraw/zinc/97/50/82/464975082.db2.gz YJPIKPBBLNOBHR-SJORKVTESA-N 0 0 341.386 2.478 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(COC)C(N)=S ZINC000252515607 464978319 /nfs/dbraw/zinc/97/83/19/464978319.db2.gz MECCANAPGGJGMX-BZPMIXESSA-N 0 0 347.889 2.159 40 0 EEABRN O=C(NCc1ccc[nH]1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000253369362 464993791 /nfs/dbraw/zinc/99/37/91/464993791.db2.gz BNFWTFLOQDNAIE-BMFZPTHFSA-N 0 0 325.416 2.259 40 0 EEABRN Cc1cccc([C@@H](C)NC(=O)[C@H](CO)NC(=O)c2ccccc2)c1C ZINC000253417704 465006239 /nfs/dbraw/zinc/00/62/39/465006239.db2.gz DUHGAIZDUZFNJZ-QAPCUYQASA-N 0 0 340.423 2.272 40 0 EEABRN COC[C@@H]1CC[N@H+](CC2CC2)C2(CN(Cc3cc(C)nn3C)C2)C1 ZINC000306123019 466487603 /nfs/dbraw/zinc/48/76/03/466487603.db2.gz ACJGKIZYSGVTRD-QGZVFWFLSA-N 0 0 332.492 2.051 40 0 EEABRN CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(Cc1cnn(C(C)C)c1)CC2 ZINC000306136255 466491121 /nfs/dbraw/zinc/49/11/21/466491121.db2.gz POERFRCVONIDDB-AWEZNQCLSA-N 0 0 344.463 2.376 40 0 EEABRN Cc1ccc(CN2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000306135879 466491386 /nfs/dbraw/zinc/49/13/86/466491386.db2.gz PDRLWQMDUFLXPP-MRXNPFEDSA-N 0 0 331.416 2.051 40 0 EEABRN CC(=O)N1CCC[C@H]1c1nc(C(=O)NCC(C)C)c2ccccn21 ZINC000306141327 466494150 /nfs/dbraw/zinc/49/41/50/466494150.db2.gz VSADRJNPDIKSDT-HNNXBMFYSA-N 0 0 328.416 2.404 40 0 EEABRN CSCC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000575403043 468140552 /nfs/dbraw/zinc/14/05/52/468140552.db2.gz FUILFACJOQYVCQ-MRXNPFEDSA-N 0 0 331.441 2.174 40 0 EEABRN Cc1ccncc1CO[C@@H]1CCOC2(CN(C(=O)CC3CC3)C2)C1 ZINC000575406226 468142795 /nfs/dbraw/zinc/14/27/95/468142795.db2.gz YGAAKLGZMOWZDN-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN O=C1N(CC2CCC2)CC[C@@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093074 468962620 /nfs/dbraw/zinc/96/26/20/468962620.db2.gz YDLBKXOMQUCKEC-MRXNPFEDSA-N 0 0 338.402 2.270 40 0 EEABRN CN1CC[C@]2(CN(C(=O)Cc3ccccc3F)CC(F)(F)C2)C1=O ZINC000585093461 468963051 /nfs/dbraw/zinc/96/30/51/468963051.db2.gz XZKMYGPYTKQYRP-INIZCTEOSA-N 0 0 340.345 2.084 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2ccccc2n1 ZINC000585094863 468963196 /nfs/dbraw/zinc/96/31/96/468963196.db2.gz QVAFOZKTAROVNB-AWEZNQCLSA-N 0 0 336.395 2.182 40 0 EEABRN COc1cccc(CN2C(=O)N[C@](C)(c3cnccn3)C2=O)c1Cl ZINC000585093544 468963203 /nfs/dbraw/zinc/96/32/03/468963203.db2.gz RXIGDJDQXBJAHD-MRXNPFEDSA-N 0 0 346.774 2.106 40 0 EEABRN CCCC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@@H]1C ZINC000585098475 468967477 /nfs/dbraw/zinc/96/74/77/468967477.db2.gz TZJUAFZIAFFPAG-ZDUSSCGKSA-N 0 0 344.415 2.038 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(Cl)c1)C2 ZINC000585102932 468970604 /nfs/dbraw/zinc/97/06/04/468970604.db2.gz JHTCBCRCCSLSRR-CQSZACIVSA-N 0 0 343.876 2.366 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 ZINC000585102627 468970953 /nfs/dbraw/zinc/97/09/53/468970953.db2.gz CPRXCDHSFGONPW-AWEZNQCLSA-N 0 0 328.368 2.375 40 0 EEABRN N=[S@@](=O)(c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000585142276 468991997 /nfs/dbraw/zinc/99/19/97/468991997.db2.gz RYLOXOGBWGSNRB-GTUYJWLHSA-N 0 0 335.351 2.314 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)C2CCOCC2)C1 ZINC000585277234 469002001 /nfs/dbraw/zinc/00/20/01/469002001.db2.gz NPYOZOZZCRKYOK-IBGZPJMESA-N 0 0 333.428 2.418 40 0 EEABRN Cc1nccn1CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585277361 469002055 /nfs/dbraw/zinc/00/20/55/469002055.db2.gz SQNCWMCDZQPHKC-ROUUACIJSA-N 0 0 327.428 2.176 40 0 EEABRN COc1ncc(CN2CC[C@H](Cc3ccc(C)cc3)[C@@H](O)C2)cn1 ZINC000585278339 469003834 /nfs/dbraw/zinc/00/38/34/469003834.db2.gz CFJJTZZZLZHJOP-MSOLQXFVSA-N 0 0 327.428 2.219 40 0 EEABRN O=C(Cn1ccc(C2CC2)n1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280183 469006485 /nfs/dbraw/zinc/00/64/85/469006485.db2.gz BZVATZIWRHUEKF-MJGOQNOKSA-N 0 0 339.439 2.213 40 0 EEABRN O=C(CC1CCOCC1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585279789 469006514 /nfs/dbraw/zinc/00/65/14/469006514.db2.gz PKUNWNSFZLSLHT-AEFFLSMTSA-N 0 0 335.419 2.394 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3nccc(C)n3)[C@H]2O)cc1 ZINC000585286428 469009462 /nfs/dbraw/zinc/00/94/62/469009462.db2.gz YBVAYFJMKSSKQY-DJIMGWMZSA-N 0 0 341.411 2.042 40 0 EEABRN CC(C)CO[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)C1 ZINC000663712750 471487737 /nfs/dbraw/zinc/48/77/37/471487737.db2.gz SLEXKZXQRCNFIJ-OAHLLOKOSA-N 0 0 334.464 2.079 40 0 EEABRN O=C(NCCC1=CCCCC1)c1coc(NC(=O)c2cnccn2)n1 ZINC000075157961 501051105 /nfs/dbraw/zinc/05/11/05/501051105.db2.gz BNRVHEDSWMQNME-UHFFFAOYSA-N 0 0 341.371 2.337 40 0 EEABRN Cc1cnc([C@H](C)CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000184438855 534635728 /nfs/dbraw/zinc/63/57/28/534635728.db2.gz QKWSCOYTOFYLCF-YPMHNXCESA-N 0 0 333.461 2.488 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)NCCOc1ncccc1Cl ZINC000096473427 534838108 /nfs/dbraw/zinc/83/81/08/534838108.db2.gz VLCDJFSGIZTRNN-SNVBAGLBSA-N 0 0 337.811 2.216 40 0 EEABRN CC(=O)N1CC(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000187937809 526521747 /nfs/dbraw/zinc/52/17/47/526521747.db2.gz NLRZKFMAACUKPK-UHFFFAOYSA-N 0 0 344.333 2.210 40 0 EEABRN O=C(Cn1cc(NCc2cccc(Cl)c2)cn1)N1CCOCC1 ZINC000091067203 527370270 /nfs/dbraw/zinc/37/02/70/527370270.db2.gz VKBQCFRVVYWDRY-UHFFFAOYSA-N 0 0 334.807 2.007 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)[C@H]2CCO[C@H]21 ZINC000230096028 535058813 /nfs/dbraw/zinc/05/88/13/535058813.db2.gz OBJDPALTEJRCNP-BRWVUGGUSA-N 0 0 340.427 2.485 40 0 EEABRN CC(C)n1nccc1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257267287 535146704 /nfs/dbraw/zinc/14/67/04/535146704.db2.gz MGPZLWUZKQFFLE-KRWDZBQOSA-N 0 0 329.448 2.499 40 0 EEABRN CCSCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000225704309 535682989 /nfs/dbraw/zinc/68/29/89/535682989.db2.gz MBQMHIUCTBTQJK-CQSZACIVSA-N 0 0 339.509 2.140 40 0 EEABRN CCn1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)c(C)n1 ZINC000257229124 536027326 /nfs/dbraw/zinc/02/73/26/536027326.db2.gz FWTHFBHLUPVORL-SFHVURJKSA-N 0 0 340.427 2.257 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)ccn1 ZINC000257263404 536145087 /nfs/dbraw/zinc/14/50/87/536145087.db2.gz LPUFOWQCWGYVGD-HNNXBMFYSA-N 0 0 332.429 2.068 40 0 EEABRN COc1ccnc(OC)c1NC(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC000932417639 1207600811 /nfs/dbraw/zinc/60/08/11/1207600811.db2.gz SUPSCALXLWXHJV-HIFRSBDPSA-N 0 0 343.383 2.269 40 0 EEABRN CO[C@H](C(=O)N1CC(n2ccnn2)C1)c1ccccc1C(F)(F)F ZINC000935288077 1208127221 /nfs/dbraw/zinc/12/72/21/1208127221.db2.gz BAOBPLSTYQTCDU-ZDUSSCGKSA-N 0 0 340.305 2.068 40 0 EEABRN NC(=O)c1cccc(NC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000071761523 1354193014 /nfs/dbraw/zinc/19/30/14/1354193014.db2.gz CJLHPQUVFKMHHP-UHFFFAOYSA-N 0 0 329.381 2.366 40 0 EEABRN CCOc1ccccc1C(=O)N1CCC2(CC(=O)N(CC)O2)CC1 ZINC001549163098 1121134289 /nfs/dbraw/zinc/13/42/89/1121134289.db2.gz YVIZUSILNOQYSG-UHFFFAOYSA-N 0 0 332.400 2.244 40 0 EEABRN CCN1OC2(CC1=O)CCN(C(=O)Nc1ccc(OC)cc1)CC2 ZINC001549168531 1121136410 /nfs/dbraw/zinc/13/64/10/1121136410.db2.gz XGPYSDPNLVGWFE-UHFFFAOYSA-N 0 0 333.388 2.246 40 0 EEABRN COCC(=O)N1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 ZINC001534646540 1123376624 /nfs/dbraw/zinc/37/66/24/1123376624.db2.gz NCCNOLIJADZQQI-GJZGRUSLSA-N 0 0 346.427 2.217 40 0 EEABRN CC(C)n1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2 ZINC001547200892 1124226255 /nfs/dbraw/zinc/22/62/55/1124226255.db2.gz ALPQORZUMNYIMQ-UHFFFAOYSA-N 0 0 337.177 2.377 40 0 EEABRN O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cccs1 ZINC000008954806 201764420 /nfs/dbraw/zinc/76/44/20/201764420.db2.gz JZQARCMGZVPJQT-UHFFFAOYSA-N 0 0 331.422 2.463 40 0 EEABRN COc1c(C(=O)NC[C@@H](C)n2cncn2)cnc2cc(Cl)ccc21 ZINC000012116899 201825595 /nfs/dbraw/zinc/82/55/95/201825595.db2.gz VUBIEZWUKFKHGA-SNVBAGLBSA-N 0 0 345.790 2.479 40 0 EEABRN O=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000012116048 201826524 /nfs/dbraw/zinc/82/65/24/201826524.db2.gz AZSNGEXOHXJQDR-UHFFFAOYSA-N 0 0 330.413 2.090 40 0 EEABRN Cc1nc(C)n([C@H](C)CNC(=O)Cn2ccc3ccc(F)cc32)n1 ZINC000012148356 201829856 /nfs/dbraw/zinc/82/98/56/201829856.db2.gz FDGUNDCZDIVEEE-LLVKDONJSA-N 0 0 329.379 2.366 40 0 EEABRN CC(C)c1cc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2ccnn2C)C3)on1 ZINC000012224711 201834529 /nfs/dbraw/zinc/83/45/29/201834529.db2.gz LXJKUQVGADVZOH-NCNPBXTDSA-N 0 0 344.415 2.186 40 0 EEABRN CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000016637335 201976910 /nfs/dbraw/zinc/97/69/10/201976910.db2.gz GVWRKHWQDVFKRT-ZDUSSCGKSA-N 0 0 342.461 2.011 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1ccnc2ncnn21 ZINC000019293715 202003258 /nfs/dbraw/zinc/00/32/58/202003258.db2.gz MRPYJOHTCPHYRT-CQSZACIVSA-N 0 0 325.347 2.170 40 0 EEABRN Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccccc2Cl)c1=O ZINC000019350015 202005811 /nfs/dbraw/zinc/00/58/11/202005811.db2.gz PKSCMKJVIWPIGK-UHFFFAOYSA-N 0 0 344.758 2.378 40 0 EEABRN CC(C)N(C(=O)[C@@H](C)n1nc(-c2ccco2)cc(N)c1=O)C(C)C ZINC000019447571 202007564 /nfs/dbraw/zinc/00/75/64/202007564.db2.gz RMQWCHSRTLIJHI-GFCCVEGCSA-N 0 0 332.404 2.292 40 0 EEABRN CCC(=O)NC1CCN(Cc2cc(-c3scnc3C)nn2C)CC1 ZINC000019499281 202008410 /nfs/dbraw/zinc/00/84/10/202008410.db2.gz POTJGEUDFIRIMR-UHFFFAOYSA-N 0 0 347.488 2.343 40 0 EEABRN C[C@@]1(C(=O)NCCn2ccnc2)CC(c2ccccc2Cl)=NO1 ZINC000019460865 202009318 /nfs/dbraw/zinc/00/93/18/202009318.db2.gz YIMUNMCDXSOHIF-INIZCTEOSA-N 0 0 332.791 2.236 40 0 EEABRN O=C(CCc1ccc(F)cc1)Nc1cnn(CC(=O)N2CCCC2)c1 ZINC000019746097 202017837 /nfs/dbraw/zinc/01/78/37/202017837.db2.gz OGLMCTYSQLOBTC-UHFFFAOYSA-N 0 0 344.390 2.216 40 0 EEABRN CCCCN1CN=C(Nc2nc(C)c3cc(OC)ccc3n2)NC1 ZINC000020634258 202051732 /nfs/dbraw/zinc/05/17/32/202051732.db2.gz XOHXRQTZYSRDQU-UHFFFAOYSA-N 0 0 328.420 2.335 40 0 EEABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccncc1)cn2C ZINC000022237141 202080989 /nfs/dbraw/zinc/08/09/89/202080989.db2.gz JKXTXNYODWQAFM-UHFFFAOYSA-N 0 0 337.379 2.262 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000022536599 202087174 /nfs/dbraw/zinc/08/71/74/202087174.db2.gz FOMPJXDFLLHYGY-JSGCOSHPSA-N 0 0 342.436 2.065 40 0 EEABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCOCC1 ZINC000022532350 202087397 /nfs/dbraw/zinc/08/73/97/202087397.db2.gz DKHUSGZCZIYYHC-KRWDZBQOSA-N 0 0 334.460 2.299 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021872308 202073737 /nfs/dbraw/zinc/07/37/37/202073737.db2.gz YEQRXNNLAFXCBC-QWHCGFSZSA-N 0 0 344.502 2.310 40 0 EEABRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000187070967 236109694 /nfs/dbraw/zinc/10/96/94/236109694.db2.gz WQEXICNFDAZYTP-IAQYHMDHSA-N 0 0 347.802 2.036 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC000187530715 236236737 /nfs/dbraw/zinc/23/67/37/236236737.db2.gz HDOMEQXCCDDYOY-OWCLPIDISA-N 0 0 347.459 2.124 40 0 EEABRN NC(=O)c1cc(-c2csc(NC(=O)CCc3ccncc3)n2)c[nH]1 ZINC000051034825 283364175 /nfs/dbraw/zinc/36/41/75/283364175.db2.gz XNYAFKHBCBLACM-UHFFFAOYSA-N 0 0 341.396 2.203 40 0 EEABRN Cc1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1 ZINC000019946422 236900850 /nfs/dbraw/zinc/90/08/50/236900850.db2.gz DSXHJYYMTJEJID-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN Cc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1C ZINC000019946664 236902550 /nfs/dbraw/zinc/90/25/50/236902550.db2.gz RYHRHDMPQFGOLQ-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)nn1C ZINC000071195796 202342579 /nfs/dbraw/zinc/34/25/79/202342579.db2.gz WDLMFAARDDMAFT-INIZCTEOSA-N 0 0 348.410 2.388 40 0 EEABRN CCN(C)S(=O)(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000072710483 202367220 /nfs/dbraw/zinc/36/72/20/202367220.db2.gz JGJKGSNADKMCHD-UHFFFAOYSA-N 0 0 347.278 2.267 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)[C@H](C)n1cccn1)c1noc(C)n1 ZINC000072696185 202367567 /nfs/dbraw/zinc/36/75/67/202367567.db2.gz WMVLFWDKXIRQPY-XHDPSFHLSA-N 0 0 341.371 2.050 40 0 EEABRN CC[C@@H](NC(=O)CSc1n[nH]c(C)n1)c1nc2ccccc2[nH]1 ZINC000073308952 202369543 /nfs/dbraw/zinc/36/95/43/202369543.db2.gz CHURINFKFMKWAQ-SNVBAGLBSA-N 0 0 330.417 2.349 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cn1 ZINC000074972883 202374774 /nfs/dbraw/zinc/37/47/74/202374774.db2.gz NHMHNEBFSLYSKY-ZDUSSCGKSA-N 0 0 345.428 2.128 40 0 EEABRN CC(=O)c1ccc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)cc1 ZINC000075156385 202376528 /nfs/dbraw/zinc/37/65/28/202376528.db2.gz MCFVHRBSFKHISR-UHFFFAOYSA-N 0 0 340.383 2.188 40 0 EEABRN CCS(=O)(=O)CCN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000075836780 202377892 /nfs/dbraw/zinc/37/78/92/202377892.db2.gz UDIXLGGUVPNDDQ-DOTOQJQBSA-N 0 0 325.474 2.500 40 0 EEABRN O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077108125 202384329 /nfs/dbraw/zinc/38/43/29/202384329.db2.gz WNYSCQLRNOZOEI-GFCCVEGCSA-N 0 0 339.335 2.025 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000077837497 202395173 /nfs/dbraw/zinc/39/51/73/202395173.db2.gz XGSDIOPOOYQZSS-UHFFFAOYSA-N 0 0 336.779 2.027 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)NCCn1c2ccccc2oc1=O ZINC000078605112 202397261 /nfs/dbraw/zinc/39/72/61/202397261.db2.gz FLKGJWMNAGYPGA-UHFFFAOYSA-N 0 0 344.371 2.041 40 0 EEABRN COc1ccc(Cc2nnc(NC(=O)NC[C@@H]3CCOC3)s2)cc1 ZINC000078604837 202397497 /nfs/dbraw/zinc/39/74/97/202397497.db2.gz DIZSWVCJSDGZFF-LBPRGKRZSA-N 0 0 348.428 2.296 40 0 EEABRN O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cnn(-c2ccccc2)c1 ZINC000078434019 202399481 /nfs/dbraw/zinc/39/94/81/202399481.db2.gz QHQJDTGDOTYKDE-UHFFFAOYSA-N 0 0 338.367 2.106 40 0 EEABRN C[C@@H](C(=O)N1CCCS1(=O)=O)c1ccc(Br)s1 ZINC000076823031 202388743 /nfs/dbraw/zinc/38/87/43/202388743.db2.gz IYALGCQCIUGLBR-SSDOTTSWSA-N 0 0 338.248 2.176 40 0 EEABRN Cc1ncc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)s1 ZINC000076962065 202389371 /nfs/dbraw/zinc/38/93/71/202389371.db2.gz YLRJINBZLCLMEE-UHFFFAOYSA-N 0 0 344.845 2.438 40 0 EEABRN O=C(NCC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000077694931 202392758 /nfs/dbraw/zinc/39/27/58/202392758.db2.gz QZVZCGMCRSVSLK-CQSZACIVSA-N 0 0 345.374 2.240 40 0 EEABRN Cc1cc([C@H](NC(=O)N2CCO[C@H](CO)C2)C(C)C)c(C)s1 ZINC000078963954 202410979 /nfs/dbraw/zinc/41/09/79/202410979.db2.gz RIVXMOXQWKATFB-DZGCQCFKSA-N 0 0 326.462 2.465 40 0 EEABRN O=C([C@@H]1CCCN1c1ncnc2ccccc21)N1CCCc2n[nH]cc21 ZINC000253428453 296019476 /nfs/dbraw/zinc/01/94/76/296019476.db2.gz QFKMOTSLYRGEGL-INIZCTEOSA-N 0 0 348.410 2.301 40 0 EEABRN O=C(Nc1onc2c1CCCC2)c1cccnc1O[C@@H]1CCOC1 ZINC000253401887 201186641 /nfs/dbraw/zinc/18/66/41/201186641.db2.gz NQYOBOKLBKWFBT-LLVKDONJSA-N 0 0 329.356 2.368 40 0 EEABRN Cc1ccc(C)n1CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257198509 201191456 /nfs/dbraw/zinc/19/14/56/201191456.db2.gz AZHGCFOALMSVRB-DLBZAZTESA-N 0 0 339.439 2.303 40 0 EEABRN CC1(C)SC(=O)N(C[C@@H](O)COc2cccc3[nH]ccc32)C1=O ZINC000268444627 201226651 /nfs/dbraw/zinc/22/66/51/201226651.db2.gz NLFQCBBMRIPGJL-SNVBAGLBSA-N 0 0 334.397 2.382 40 0 EEABRN Cc1cc(CCCC(=O)NC2CCS(=O)(=O)CC2)c(C)s1 ZINC000084582518 202555009 /nfs/dbraw/zinc/55/50/09/202555009.db2.gz GMZHRXPVPOEKDB-UHFFFAOYSA-N 0 0 329.487 2.381 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccs1 ZINC000085467707 202618430 /nfs/dbraw/zinc/61/84/30/202618430.db2.gz UAZZWMHSBRXISU-AWEZNQCLSA-N 0 0 347.415 2.254 40 0 EEABRN C[C@H]1c2cc(F)ccc2CCN1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000096446315 291314775 /nfs/dbraw/zinc/31/47/75/291314775.db2.gz MDLMEHNTISLBOT-LBPRGKRZSA-N 0 0 339.432 2.486 40 0 EEABRN Cn1ncc(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)c1C(F)(F)F ZINC000193742254 240289973 /nfs/dbraw/zinc/28/99/73/240289973.db2.gz ZPUIYQSEUKHVMS-ZDUSSCGKSA-N 0 0 332.326 2.296 40 0 EEABRN O=C(NCCc1ccccc1OC(F)F)N[C@H]1CCCC[C@H]1O ZINC000195577834 241024611 /nfs/dbraw/zinc/02/46/11/241024611.db2.gz FYMQRXIIABAKLR-QWHCGFSZSA-N 0 0 328.359 2.433 40 0 EEABRN Cn1nnc2ccc(C(=O)N3CCCCC[C@H]3c3ncon3)cc21 ZINC000195577316 241024704 /nfs/dbraw/zinc/02/47/04/241024704.db2.gz NHOYXXAOWJPLIA-ZDUSSCGKSA-N 0 0 326.360 2.109 40 0 EEABRN O=C(c1cccc(Cl)c1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217613763 241262474 /nfs/dbraw/zinc/26/24/74/241262474.db2.gz PZDXUZCXQJEMPC-UHFFFAOYSA-N 0 0 344.802 2.123 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223638294 241671919 /nfs/dbraw/zinc/67/19/19/241671919.db2.gz VDHQCURANOYBJM-LSDHHAIUSA-N 0 0 331.397 2.210 40 0 EEABRN CC(C)[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225234009 241812168 /nfs/dbraw/zinc/81/21/68/241812168.db2.gz DUSGAMBPUSPNQO-LBPRGKRZSA-N 0 0 336.457 2.309 40 0 EEABRN CCn1nc(C)cc1CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC000226746688 242111690 /nfs/dbraw/zinc/11/16/90/242111690.db2.gz NPEPSUGFEPHMIX-SFHVURJKSA-N 0 0 326.400 2.411 40 0 EEABRN O=C(Cn1cc(COc2ccc(F)cc2)nn1)N1CCCCCC1 ZINC000227160465 242125977 /nfs/dbraw/zinc/12/59/77/242125977.db2.gz WRCXBDRPBSEFHW-UHFFFAOYSA-N 0 0 332.379 2.399 40 0 EEABRN O=C(Cn1cc(COc2cccc(F)c2)nn1)N1CCCCCC1 ZINC000227169830 242126649 /nfs/dbraw/zinc/12/66/49/242126649.db2.gz XDQZCEIXLSSQQZ-UHFFFAOYSA-N 0 0 332.379 2.399 40 0 EEABRN Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@H](O)[C@H](O)CO)cc1C ZINC000004990536 201631792 /nfs/dbraw/zinc/63/17/92/201631792.db2.gz ZWYPGCWCMYGGJT-NRSPTQNISA-N 0 0 344.451 2.127 40 0 EEABRN C[C@@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@H](C2CC2)O1 ZINC000241965722 243007332 /nfs/dbraw/zinc/00/73/32/243007332.db2.gz UVCNMZXOVZXIGN-MLGOLLRUSA-N 0 0 330.432 2.105 40 0 EEABRN CCCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000257206368 244135267 /nfs/dbraw/zinc/13/52/67/244135267.db2.gz BDBFXSNDMAWWDT-OAHLLOKOSA-N 0 0 348.472 2.179 40 0 EEABRN CCCC(=O)N1[C@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2 ZINC000071980558 203156826 /nfs/dbraw/zinc/15/68/26/203156826.db2.gz XFBLQRXTTIPBMD-INIZCTEOSA-N 0 0 346.427 2.091 40 0 EEABRN COCCC(=O)N1CCC[C@@H]1c1cccc(-c2cnc(C)n2C)n1 ZINC000257210048 244147602 /nfs/dbraw/zinc/14/76/02/244147602.db2.gz BSXNVOWEQJCOJD-MRXNPFEDSA-N 0 0 328.416 2.491 40 0 EEABRN Cn1c(CN2CCO[C@H](CCc3ccncn3)C2)nc2ccccc21 ZINC000257224634 244193735 /nfs/dbraw/zinc/19/37/35/244193735.db2.gz FCQKQYFNXMYZAI-MRXNPFEDSA-N 0 0 337.427 2.197 40 0 EEABRN Cc1cc(C)n2ncc(CN3CCO[C@@H](c4ccnc(C)n4)C3)c2n1 ZINC000257229127 244207186 /nfs/dbraw/zinc/20/71/86/244207186.db2.gz FWTNMMCYRPMTSS-QGZVFWFLSA-N 0 0 338.415 2.018 40 0 EEABRN Cc1ncc(-c2cncc(C[C@@H]3CCN(c4ccnc(C)n4)C3)n2)n1C ZINC000257229461 244207489 /nfs/dbraw/zinc/20/74/89/244207489.db2.gz FYFICUBKIDQYHX-HNNXBMFYSA-N 0 0 349.442 2.353 40 0 EEABRN Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378548 203209582 /nfs/dbraw/zinc/20/95/82/203209582.db2.gz VTLYLBZUSADAJI-QGZVFWFLSA-N 0 0 348.410 2.272 40 0 EEABRN COCC(=O)N1CC[C@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 ZINC000072382502 203210108 /nfs/dbraw/zinc/21/01/08/203210108.db2.gz LSJTXZZDBCXIBN-AWEZNQCLSA-N 0 0 341.415 2.194 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257244030 244253104 /nfs/dbraw/zinc/25/31/04/244253104.db2.gz IJOKHAWCIIGQCJ-KRWDZBQOSA-N 0 0 345.374 2.455 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360274 203204086 /nfs/dbraw/zinc/20/40/86/203204086.db2.gz UTGOPRGEPRWSQE-CQSZACIVSA-N 0 0 327.388 2.234 40 0 EEABRN Cc1cc(N2CCC[C@](CCCc3ccccn3)(C(N)=O)C2)ncn1 ZINC000072367256 203207074 /nfs/dbraw/zinc/20/70/74/203207074.db2.gz NXHYZCWAMDKYGA-IBGZPJMESA-N 0 0 339.443 2.275 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072368714 203207440 /nfs/dbraw/zinc/20/74/40/203207440.db2.gz CAGGPZIQCUGYHQ-LLVKDONJSA-N 0 0 338.458 2.421 40 0 EEABRN Cn1nccc1C(=O)N1CCC2(C[C@H](Cc3ccccn3)CO2)CC1 ZINC000257242429 244246670 /nfs/dbraw/zinc/24/66/70/244246670.db2.gz ICLMZUOUQYEOSS-HNNXBMFYSA-N 0 0 340.427 2.069 40 0 EEABRN O=C(Cn1nc(-c2ccoc2)oc1=O)N1CCCc2ccccc21 ZINC000072389413 203214130 /nfs/dbraw/zinc/21/41/30/203214130.db2.gz JELXHPKVUMNLPO-UHFFFAOYSA-N 0 0 325.324 2.076 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC[C@@H](c2nc(C)cn2C)C1 ZINC000257257792 244288429 /nfs/dbraw/zinc/28/84/29/244288429.db2.gz KRCGWZQTOAEVTN-OAHLLOKOSA-N 0 0 329.448 2.284 40 0 EEABRN Cc1ncsc1C(=O)N1CCOC[C@H]1CCc1nccnc1C ZINC000257260550 244346685 /nfs/dbraw/zinc/34/66/85/244346685.db2.gz LDJATWYEEYDFMC-CYBMUJFWSA-N 0 0 332.429 2.024 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257260788 244348121 /nfs/dbraw/zinc/34/81/21/244348121.db2.gz LEISEPKXFIHSBL-AWEZNQCLSA-N 0 0 343.431 2.078 40 0 EEABRN COCCC(=O)N1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1 ZINC000257277038 244395210 /nfs/dbraw/zinc/39/52/10/244395210.db2.gz NWFQIKHBPSFCAY-QGZVFWFLSA-N 0 0 332.444 2.309 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)cs1 ZINC000257276557 244395701 /nfs/dbraw/zinc/39/57/01/244395701.db2.gz NUHANGUGWAFIEU-HNNXBMFYSA-N 0 0 332.429 2.001 40 0 EEABRN C[C@@]1(CNC(=O)c2cccn(Cc3ccccc3F)c2=O)CCCO1 ZINC000257293378 244440427 /nfs/dbraw/zinc/44/04/27/244440427.db2.gz QPFNBUCLAFSWTH-IBGZPJMESA-N 0 0 344.386 2.335 40 0 EEABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257286017 244421456 /nfs/dbraw/zinc/42/14/56/244421456.db2.gz PJVKEIFEYCJGGK-MRXNPFEDSA-N 0 0 332.375 2.453 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CCO[C@H](c2cnccn2)C1 ZINC000257308752 244485045 /nfs/dbraw/zinc/48/50/45/244485045.db2.gz TXYLQSPJLNQQNO-IBGZPJMESA-N 0 0 337.423 2.498 40 0 EEABRN Cc1csc(-c2cc(C[C@@H]3CCN(S(C)(=O)=O)C3)ccn2)n1 ZINC000257314372 244500323 /nfs/dbraw/zinc/50/03/23/244500323.db2.gz UWQUJDLEOOGMRC-ZDUSSCGKSA-N 0 0 337.470 2.338 40 0 EEABRN c1csc([C@@H](c2nnnn2Cc2ccccc2)N2CCOCC2)c1 ZINC000019372857 212024171 /nfs/dbraw/zinc/02/41/71/212024171.db2.gz UBRGQNRYOZSQFP-INIZCTEOSA-N 0 0 341.440 2.205 40 0 EEABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1)C2 ZINC000096039405 203799202 /nfs/dbraw/zinc/79/92/02/203799202.db2.gz KQWGFOZKRNHFRX-PKOBYXMFSA-N 0 0 333.428 2.500 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC000096055454 203811723 /nfs/dbraw/zinc/81/17/23/203811723.db2.gz XHCLLWAWPHTAAK-IIAWOOMASA-N 0 0 328.368 2.373 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096057041 203813277 /nfs/dbraw/zinc/81/32/77/203813277.db2.gz YMFXDJIEDBDFSV-PKOBYXMFSA-N 0 0 337.460 2.237 40 0 EEABRN CC(C)NC(=O)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239753 203879548 /nfs/dbraw/zinc/87/95/48/203879548.db2.gz UGXMBSAOJDRZJW-OAHLLOKOSA-N 0 0 339.390 2.132 40 0 EEABRN O=C(c1ccnnc1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255289 203884794 /nfs/dbraw/zinc/88/47/94/203884794.db2.gz AMADGMLHSCBWFU-UHFFFAOYSA-N 0 0 349.369 2.314 40 0 EEABRN COc1cccc(N[C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c1 ZINC000101275919 204003071 /nfs/dbraw/zinc/00/30/71/204003071.db2.gz QJGZQNPWQVHBCO-INIZCTEOSA-N 0 0 326.352 2.448 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)Cc1ccccc1 ZINC000128060925 205131054 /nfs/dbraw/zinc/13/10/54/205131054.db2.gz JZKVOWFFRXAEHU-UHFFFAOYSA-N 0 0 338.473 2.145 40 0 EEABRN O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1COc2ccccc2C1=O ZINC000135362414 205456764 /nfs/dbraw/zinc/45/67/64/205456764.db2.gz IEQNLGNNQGWIPW-AEFFLSMTSA-N 0 0 337.375 2.451 40 0 EEABRN CCCn1ncc(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1C1CC1 ZINC000157610665 206145174 /nfs/dbraw/zinc/14/51/74/206145174.db2.gz DKOXYQCVVXPHPI-INIZCTEOSA-N 0 0 343.431 2.118 40 0 EEABRN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1N ZINC000003486479 206471586 /nfs/dbraw/zinc/47/15/86/206471586.db2.gz WMGSCHGDCKZGJO-UHFFFAOYSA-N 0 0 332.216 2.338 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(NC(C)=O)cc2)C1=O ZINC000006954657 206520467 /nfs/dbraw/zinc/52/04/67/206520467.db2.gz JZEXWDZKWQOQRQ-JYRVWZFOSA-N 0 0 348.380 2.244 40 0 EEABRN Cn1cc(Cl)cc1CNC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000095415369 218353202 /nfs/dbraw/zinc/35/32/02/218353202.db2.gz RMVIFMGZQDXZID-UHFFFAOYSA-N 0 0 327.812 2.352 40 0 EEABRN COCCC1(C(=O)NCCNc2ncnc3ccccc32)CCC1 ZINC000095415065 218353437 /nfs/dbraw/zinc/35/34/37/218353437.db2.gz AQHFSRPRBSENRM-UHFFFAOYSA-N 0 0 328.416 2.365 40 0 EEABRN CCOc1cncc(N2CCN(c3ncnc4sccc43)CC2)n1 ZINC000095425646 218367620 /nfs/dbraw/zinc/36/76/20/218367620.db2.gz NATVEKJLOAZAOX-UHFFFAOYSA-N 0 0 342.428 2.207 40 0 EEABRN Cc1nc(C)c(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)s1 ZINC000096120730 218612262 /nfs/dbraw/zinc/61/22/62/218612262.db2.gz HTCADCBOFOOZMV-UHFFFAOYSA-N 0 0 347.444 2.256 40 0 EEABRN CCS(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121615 218613316 /nfs/dbraw/zinc/61/33/16/218613316.db2.gz BKGOOMXJVOIDLH-UHFFFAOYSA-N 0 0 325.459 2.428 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc(SC)o1 ZINC000096405693 218756683 /nfs/dbraw/zinc/75/66/83/218756683.db2.gz IZHPXBWCYFSWRS-JTQLQIEISA-N 0 0 328.459 2.385 40 0 EEABRN COCCN1CC[C@@]2(CCCN(C(=O)c3cc(C)oc3C)CC2)C1=O ZINC000108530156 285057013 /nfs/dbraw/zinc/05/70/13/285057013.db2.gz OZOIDIZRJQBBSR-IBGZPJMESA-N 0 0 348.443 2.388 40 0 EEABRN Cn1ncnc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000096423957 218791676 /nfs/dbraw/zinc/79/16/76/218791676.db2.gz MZHDVHZSJOHHON-UHFFFAOYSA-N 0 0 343.460 2.377 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000096430643 218803971 /nfs/dbraw/zinc/80/39/71/218803971.db2.gz RLDODIHMDQZICC-JTQLQIEISA-N 0 0 345.226 2.499 40 0 EEABRN CCn1cc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1 ZINC000096455244 218840404 /nfs/dbraw/zinc/84/04/04/218840404.db2.gz CAICHZJUYVVEND-UHFFFAOYSA-N 0 0 343.435 2.100 40 0 EEABRN CCc1onc(C)c1NC(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000096489184 218866480 /nfs/dbraw/zinc/86/64/80/218866480.db2.gz QCBZFHQNSZRGLS-UHFFFAOYSA-N 0 0 347.419 2.500 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCCCc2c[nH]nc2C)n1 ZINC000097102781 218954122 /nfs/dbraw/zinc/95/41/22/218954122.db2.gz MDAZUQNYNCOJGA-CQSZACIVSA-N 0 0 349.460 2.199 40 0 EEABRN CC(C)S(=O)(=O)CCCN1CCOC[C@@H]1Cc1ccccc1 ZINC000097227782 218999311 /nfs/dbraw/zinc/99/93/11/218999311.db2.gz RBASVZILWAZLQK-KRWDZBQOSA-N 0 0 325.474 2.143 40 0 EEABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000408586472 257895582 /nfs/dbraw/zinc/89/55/82/257895582.db2.gz AIMQGPTZWAACHR-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN COC[C@H]1Cn2cncc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096207208 285469578 /nfs/dbraw/zinc/46/95/78/285469578.db2.gz KRZLWHVTYQVLEJ-CQSZACIVSA-N 0 0 338.411 2.293 40 0 EEABRN Cc1ccc(C)c(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)c1 ZINC000408705813 533671847 /nfs/dbraw/zinc/67/18/47/533671847.db2.gz NZJWVIQBFDMHCS-UHFFFAOYSA-N 0 0 338.473 2.472 40 0 EEABRN CCn1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)n1 ZINC000071195891 276714586 /nfs/dbraw/zinc/71/45/86/276714586.db2.gz BUGLCHZYELQCEI-CQSZACIVSA-N 0 0 336.399 2.291 40 0 EEABRN CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)c2ccc(F)cc21 ZINC000096432414 277100619 /nfs/dbraw/zinc/10/06/19/277100619.db2.gz KKBYRDLWGWTETB-UHFFFAOYSA-N 0 0 338.342 2.159 40 0 EEABRN CS(=O)(=O)N[C@@H](CC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000225945320 277499071 /nfs/dbraw/zinc/49/90/71/277499071.db2.gz HYNKOAFKUIGHAJ-HNNXBMFYSA-N 0 0 336.388 2.445 40 0 EEABRN COc1cc(N2CCC[C@]3(CCN(c4ccc(C)nn4)C3)C2)ncn1 ZINC000096071610 277825464 /nfs/dbraw/zinc/82/54/64/277825464.db2.gz HFTRZQCBYGXTRH-SFHVURJKSA-N 0 0 340.431 2.081 40 0 EEABRN CC(C)(C)N1C[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)CC1=O ZINC000080785845 278355572 /nfs/dbraw/zinc/35/55/72/278355572.db2.gz ZTTRGSCWSGGOAL-SNVBAGLBSA-N 0 0 348.827 2.157 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccn2C)Cc2ncn(CC3CC3)c21 ZINC000096060280 292918824 /nfs/dbraw/zinc/91/88/24/292918824.db2.gz VTRPBXNNSSXHJN-AWEZNQCLSA-N 0 0 328.416 2.018 40 0 EEABRN CCC1(O)CN(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)C1 ZINC000298120747 294425275 /nfs/dbraw/zinc/42/52/75/294425275.db2.gz PHPVKIXKYMJBPE-GFCCVEGCSA-N 0 0 332.322 2.465 40 0 EEABRN Cc1nc(N)cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000257212212 302597597 /nfs/dbraw/zinc/59/75/97/302597597.db2.gz CCJVCIATIVZLDQ-CQSZACIVSA-N 0 0 336.392 2.032 40 0 EEABRN COCCN1CCN(Cc2cccc(-c3ccncc3)c2)CC1=O ZINC000097235516 323321399 /nfs/dbraw/zinc/32/13/99/323321399.db2.gz XUHCHOIOLVSRAL-UHFFFAOYSA-N 0 0 325.412 2.039 40 0 EEABRN COc1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)n1 ZINC000390834288 323545344 /nfs/dbraw/zinc/54/53/44/323545344.db2.gz VUNXJERIKIRDPX-UHFFFAOYSA-N 0 0 343.368 2.087 40 0 EEABRN COC(=O)c1cc(NC(=O)NCCn2ccnc2)cc(Cl)c1F ZINC000390833249 323545573 /nfs/dbraw/zinc/54/55/73/323545573.db2.gz FGLNMKGUXAHMBX-UHFFFAOYSA-N 0 0 340.742 2.284 40 0 EEABRN Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@@H]32)cc1 ZINC000085396579 462544281 /nfs/dbraw/zinc/54/42/81/462544281.db2.gz MIEJUNNYFIZEEM-OPRDCNLKSA-N 0 0 332.406 2.464 40 0 EEABRN C[C@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 ZINC000231368703 464205265 /nfs/dbraw/zinc/20/52/65/464205265.db2.gz RFVIOETYGYGRBP-BZNIZROVSA-N 0 0 331.326 2.038 40 0 EEABRN CNC(=O)[C@H]1CCCN1Cc1cc(Br)cc2c1OCC2 ZINC000184842712 465028982 /nfs/dbraw/zinc/02/89/82/465028982.db2.gz BZGHIUVBRKDSAD-CYBMUJFWSA-N 0 0 339.233 2.094 40 0 EEABRN COc1cc(CN2CCN(C[C@@H](O)c3ccco3)CC2)cc(OC)c1 ZINC000085436908 462547907 /nfs/dbraw/zinc/54/79/07/462547907.db2.gz YQYXCYICTCQITB-GOSISDBHSA-N 0 0 346.427 2.148 40 0 EEABRN C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000000415904 462560331 /nfs/dbraw/zinc/56/03/31/462560331.db2.gz RLTIVWAIERDMNU-LBPRGKRZSA-N 0 0 337.358 2.457 40 0 EEABRN CCOc1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520437 462633822 /nfs/dbraw/zinc/63/38/22/462633822.db2.gz DRBDXBGPXLGSBF-ZDUSSCGKSA-N 0 0 331.338 2.075 40 0 EEABRN COc1ccc(CNC(=O)CSc2nnc(C3CC3)n2C)cc1 ZINC000004882143 462640040 /nfs/dbraw/zinc/64/00/40/462640040.db2.gz FVJJXDDMPOBJSZ-UHFFFAOYSA-N 0 0 332.429 2.110 40 0 EEABRN C[C@@H]1CN(c2ncc3c(=O)n(-c4ccc(F)cc4)cc-3[nH]2)C[C@@H](C)O1 ZINC000046087057 462645589 /nfs/dbraw/zinc/64/55/89/462645589.db2.gz NFQUWXHYQDVPTP-VXGBXAGGSA-N 0 0 342.374 2.390 40 0 EEABRN O=C(NCC1CCS(=O)(=O)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000153507500 462658912 /nfs/dbraw/zinc/65/89/12/462658912.db2.gz RMLNQCJONBWWLG-INIZCTEOSA-N 0 0 336.457 2.010 40 0 EEABRN CSc1nc(=O)c2[n+]([n-]1)[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000005587035 462663878 /nfs/dbraw/zinc/66/38/78/462663878.db2.gz KSVIGIKCDQIGKY-HNNXBMFYSA-O 0 0 339.400 2.124 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000006504336 462687652 /nfs/dbraw/zinc/68/76/52/462687652.db2.gz ZUTRBHOQPBMFSL-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN CC[C@H](C)NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007077142 462720639 /nfs/dbraw/zinc/72/06/39/462720639.db2.gz SHTBFZYKDVXBPX-QMMMGPOBSA-N 0 0 339.244 2.186 40 0 EEABRN CCCCN(C)C(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1 ZINC000008964384 462797207 /nfs/dbraw/zinc/79/72/07/462797207.db2.gz SAEZEVULDCBPNQ-UHFFFAOYSA-N 0 0 341.477 2.415 40 0 EEABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012086315 462841706 /nfs/dbraw/zinc/84/17/06/462841706.db2.gz GQZJXHGZSBLTAD-ACWOFJMJSA-N 0 0 334.379 2.010 40 0 EEABRN COc1cccc(CC(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)c1 ZINC000012114729 462843784 /nfs/dbraw/zinc/84/37/84/462843784.db2.gz CWLSJBICQZODCJ-GFCCVEGCSA-N 0 0 337.383 2.295 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000012116843 462844329 /nfs/dbraw/zinc/84/43/29/462844329.db2.gz NOCAUZOBZDWKNP-BMLIUANNSA-N 0 0 342.374 2.482 40 0 EEABRN CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 ZINC000016638502 462984817 /nfs/dbraw/zinc/98/48/17/462984817.db2.gz RIJFXQXVENSWEG-UHFFFAOYSA-N 0 0 326.462 2.312 40 0 EEABRN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000016693515 462986970 /nfs/dbraw/zinc/98/69/70/462986970.db2.gz MIJSEHJPKMCMDB-UHFFFAOYSA-N 0 0 348.424 2.345 40 0 EEABRN C[C@@H]1C[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1 ZINC000095449716 463087014 /nfs/dbraw/zinc/08/70/14/463087014.db2.gz ALSNVFWFNYBUHW-WDBKCZKBSA-N 0 0 334.397 2.054 40 0 EEABRN O=C([C@H]1CCCN1c1noc(-c2ccccc2)n1)N1CCSCC1 ZINC000157382747 463125497 /nfs/dbraw/zinc/12/54/97/463125497.db2.gz KDNFNOCAQIGNJC-CQSZACIVSA-N 0 0 344.440 2.281 40 0 EEABRN COc1ccc(-c2noc(CS[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000078774176 463147366 /nfs/dbraw/zinc/14/73/66/463147366.db2.gz FSISZEMJHUHBMF-LBPRGKRZSA-N 0 0 340.426 2.166 40 0 EEABRN O=C([C@@H]1C[C@@H]2CCN(Cc3ccccc3F)C[C@H]2O1)N1CCCC1 ZINC000096042931 463148100 /nfs/dbraw/zinc/14/81/00/463148100.db2.gz DLSIYMZBVSSPRE-JCGIZDLHSA-N 0 0 332.419 2.428 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC000096055460 463158350 /nfs/dbraw/zinc/15/83/50/463158350.db2.gz TWVLVQMUUMNMNL-VNQPRFMTSA-N 0 0 328.368 2.373 40 0 EEABRN O=C(c1ccncc1F)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 ZINC000096064622 463163084 /nfs/dbraw/zinc/16/30/84/463163084.db2.gz FYNKCRUCRPBMMQ-JQFCIGGWSA-N 0 0 334.391 2.409 40 0 EEABRN O=C(Cc1ccccc1)N1CCn2cc(CNc3ccccn3)nc2C1 ZINC000096068058 463164943 /nfs/dbraw/zinc/16/49/43/463164943.db2.gz LFRYIWXJOLJNDX-UHFFFAOYSA-N 0 0 347.422 2.475 40 0 EEABRN Cc1nc(CO[C@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)cs1 ZINC000096072412 463167359 /nfs/dbraw/zinc/16/73/59/463167359.db2.gz QCTHLMPVTXGDCB-CVEARBPZSA-N 0 0 334.445 2.125 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000078999121 463177318 /nfs/dbraw/zinc/17/73/18/463177318.db2.gz GEGPQXJQGNJOJR-DLBZAZTESA-N 0 0 346.475 2.127 40 0 EEABRN O=C(COc1ccc(F)cc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096108751 463177552 /nfs/dbraw/zinc/17/75/52/463177552.db2.gz DGPIXDKSFKILAN-DNVCBOLYSA-N 0 0 349.402 2.106 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108882 463177556 /nfs/dbraw/zinc/17/75/56/463177556.db2.gz JUEPQSMQHRDPEN-CRAIPNDOSA-N 0 0 344.436 2.449 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccnc(Cl)c1 ZINC000078997541 463177641 /nfs/dbraw/zinc/17/76/41/463177641.db2.gz WMFBTWKCJIUREH-GFCCVEGCSA-N 0 0 333.750 2.409 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccnnc3)CC[C@@H]2OC)cc1 ZINC000096110564 463178767 /nfs/dbraw/zinc/17/87/67/463178767.db2.gz MNCWTEFZAINKLT-WMZOPIPTSA-N 0 0 341.411 2.205 40 0 EEABRN COCc1cnc2n1CCN(C(=O)c1nn(C)c3ccccc31)[C@H]2C ZINC000096109625 463178810 /nfs/dbraw/zinc/17/88/10/463178810.db2.gz HYDBZFRVGIAMGV-LBPRGKRZSA-N 0 0 339.399 2.133 40 0 EEABRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)c1ncccc1OC ZINC000121712430 463182570 /nfs/dbraw/zinc/18/25/70/463182570.db2.gz SUDWBGAHVYVOLF-HIFRSBDPSA-N 0 0 348.447 2.273 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)N(Cc1ccccn1)Cc1ccccc1C ZINC000079047079 463182758 /nfs/dbraw/zinc/18/27/58/463182758.db2.gz PDIVOVFESNZASA-HNNXBMFYSA-N 0 0 325.412 2.443 40 0 EEABRN CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1ccccc1)CC2 ZINC000096147020 463185848 /nfs/dbraw/zinc/18/58/48/463185848.db2.gz VIJFCZYHVHKTIY-UHFFFAOYSA-N 0 0 329.425 2.086 40 0 EEABRN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cc2cccnc21 ZINC000079094404 463188228 /nfs/dbraw/zinc/18/82/28/463188228.db2.gz ZVRAFQBAJKCIPW-VIFPVBQESA-N 0 0 326.805 2.051 40 0 EEABRN CCn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cnoc1C)C2 ZINC000096198110 463204660 /nfs/dbraw/zinc/20/46/60/463204660.db2.gz AXZULLRSOIRYKL-OAHLLOKOSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccsc1CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000079359471 463208524 /nfs/dbraw/zinc/20/85/24/463208524.db2.gz PRTMMJHAGHPBPR-BBRMVZONSA-N 0 0 346.456 2.016 40 0 EEABRN c1csc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)n1 ZINC000096218833 463216034 /nfs/dbraw/zinc/21/60/34/463216034.db2.gz NHZFQPCQPRVQMZ-CYBMUJFWSA-N 0 0 331.445 2.329 40 0 EEABRN CCCCCNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208410 463219484 /nfs/dbraw/zinc/21/94/84/463219484.db2.gz FESLJUJQRVMNNJ-UHFFFAOYSA-N 0 0 326.462 2.176 40 0 EEABRN c1csc(N2CCC[C@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096228889 463221777 /nfs/dbraw/zinc/22/17/77/463221777.db2.gz YHTUCCUZMCAEDI-INIZCTEOSA-N 0 0 331.445 2.057 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096239254 463224620 /nfs/dbraw/zinc/22/46/20/463224620.db2.gz ZROVSWSMKLCCHP-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN COc1cccc(N2C[C@]3(CCN(C(=O)NC(C)C)C3)CC2=O)c1 ZINC000096238944 463224842 /nfs/dbraw/zinc/22/48/42/463224842.db2.gz LNFXPPHCBOATNQ-GOSISDBHSA-N 0 0 331.416 2.242 40 0 EEABRN O=S(=O)(c1cccs1)N1Cc2nc(CN3CCCC3)oc2C1 ZINC000096260266 463229845 /nfs/dbraw/zinc/22/98/45/463229845.db2.gz SVDRITIGTSHZHT-UHFFFAOYSA-N 0 0 339.442 2.036 40 0 EEABRN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)s2)cs1 ZINC000054362803 463230240 /nfs/dbraw/zinc/23/02/40/463230240.db2.gz WKHMELTVHPFEEE-UHFFFAOYSA-N 0 0 343.499 2.116 40 0 EEABRN CC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]21 ZINC000096268314 463231140 /nfs/dbraw/zinc/23/11/40/463231140.db2.gz KHWGQNGGYYJCLR-CMKODMSKSA-N 0 0 335.407 2.057 40 0 EEABRN Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3)C2)no1 ZINC000096403739 463238347 /nfs/dbraw/zinc/23/83/47/463238347.db2.gz PLQYXZURQBNALA-CYBMUJFWSA-N 0 0 328.372 2.031 40 0 EEABRN CCc1ncncc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000096406495 463240288 /nfs/dbraw/zinc/24/02/88/463240288.db2.gz ZXZIRTLROCRTBE-QGZVFWFLSA-N 0 0 338.411 2.307 40 0 EEABRN Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000096413481 463246092 /nfs/dbraw/zinc/24/60/92/463246092.db2.gz NXFGXZXDZYKKGR-ZDUSSCGKSA-N 0 0 332.791 2.376 40 0 EEABRN CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000096416115 463248299 /nfs/dbraw/zinc/24/82/99/463248299.db2.gz RYBAYTVJBJOCQK-UHFFFAOYSA-N 0 0 346.349 2.490 40 0 EEABRN C[C@H]1CN(c2ccc(NC(=O)NCCCn3ccnc3)cc2)CCO1 ZINC000096418698 463250591 /nfs/dbraw/zinc/25/05/91/463250591.db2.gz UQVOUARWXHPEDN-HNNXBMFYSA-N 0 0 343.431 2.320 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000096423627 463254315 /nfs/dbraw/zinc/25/43/15/463254315.db2.gz IRSCIXDXCXFQBV-UXIGCNINSA-N 0 0 336.382 2.443 40 0 EEABRN CN(C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1nccs1 ZINC000096425019 463255143 /nfs/dbraw/zinc/25/51/43/463255143.db2.gz FJQOFPRYDACRGD-CQSZACIVSA-N 0 0 335.404 2.319 40 0 EEABRN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000096439273 463265692 /nfs/dbraw/zinc/26/56/92/463265692.db2.gz VPCPRNPGGSHQMU-GHMZBOCLSA-N 0 0 326.466 2.193 40 0 EEABRN CCc1n[nH]c(=S)n1CCNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000096440896 463267259 /nfs/dbraw/zinc/26/72/59/463267259.db2.gz RIGZQLDEHKJLAJ-UHFFFAOYSA-N 0 0 342.428 2.323 40 0 EEABRN Cc1ncc(Cl)c(C(=O)OCc2cnn(-c3ccccc3)n2)n1 ZINC000096441857 463267571 /nfs/dbraw/zinc/26/75/71/463267571.db2.gz ZLHWPZURNNKBGX-UHFFFAOYSA-N 0 0 329.747 2.376 40 0 EEABRN Fc1ccc2nc(CSc3nnc(Cn4cncn4)o3)oc2c1 ZINC000096465902 463277653 /nfs/dbraw/zinc/27/76/53/463277653.db2.gz HFDVRNLWLFHAGK-UHFFFAOYSA-N 0 0 332.320 2.282 40 0 EEABRN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000096468852 463277986 /nfs/dbraw/zinc/27/79/86/463277986.db2.gz VCOWYBYMEROAQN-BMFZPTHFSA-N 0 0 345.374 2.436 40 0 EEABRN CN(Cc1nncn1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000096483683 463282706 /nfs/dbraw/zinc/28/27/06/463282706.db2.gz SEOCDGNLVFSBIO-PBWFPOADSA-N 0 0 335.452 2.177 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000096494025 463287747 /nfs/dbraw/zinc/28/77/47/463287747.db2.gz HCHOCOOQTMFWHQ-MRXNPFEDSA-N 0 0 328.416 2.180 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000096493867 463287826 /nfs/dbraw/zinc/28/78/26/463287826.db2.gz LLSHIWYCABXPPA-GOSISDBHSA-N 0 0 342.443 2.304 40 0 EEABRN O=C(CN1CCOC[C@H]1C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000096495658 463288724 /nfs/dbraw/zinc/28/87/24/463288724.db2.gz FOCMDIPJXUNQDR-KRWDZBQOSA-N 0 0 344.459 2.121 40 0 EEABRN Cc1cccc(N2CCN(Cc3ncnn3CC(C)C)[C@H](C)C2)n1 ZINC000096497117 463290753 /nfs/dbraw/zinc/29/07/53/463290753.db2.gz AUNFQMNEBCCQBJ-MRXNPFEDSA-N 0 0 328.464 2.348 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000096503182 463293129 /nfs/dbraw/zinc/29/31/29/463293129.db2.gz BPTRUIUPCFFRGL-HUUCEWRRSA-N 0 0 334.489 2.365 40 0 EEABRN C[S@@](=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1 ZINC000080522366 463328384 /nfs/dbraw/zinc/32/83/84/463328384.db2.gz MEFSPQNEPPBCLY-QHCPKHFHSA-N 0 0 326.381 2.257 40 0 EEABRN C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000097234447 463352661 /nfs/dbraw/zinc/35/26/61/463352661.db2.gz FKXGBEQOESQGSR-MELADBBJSA-N 0 0 333.436 2.028 40 0 EEABRN COc1cc(-c2cc(=O)c3c(o2)CC(=O)C[C@H]3O)cc(OC)c1O ZINC000100057273 463372014 /nfs/dbraw/zinc/37/20/14/463372014.db2.gz OAMKEXJNFAAOBD-SNVBAGLBSA-N 0 0 332.308 2.366 40 0 EEABRN CCOC(=O)c1ccc(N2C(=O)C[C@H](n3nc(C)cc3C)C2=O)cc1 ZINC000100609059 463374229 /nfs/dbraw/zinc/37/42/29/463374229.db2.gz FGAVPXDVNOYGBC-HNNXBMFYSA-N 0 0 341.367 2.181 40 0 EEABRN COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000103248008 463398975 /nfs/dbraw/zinc/39/89/75/463398975.db2.gz BNDCPXSZYAFJJR-SSDOTTSWSA-N 0 0 328.217 2.315 40 0 EEABRN C[C@H]1C[C@@H]1N1C[C@H](NC(=O)c2sccc2Br)CC1=O ZINC000081374749 463428492 /nfs/dbraw/zinc/42/84/92/463428492.db2.gz FLMLOHAQWZDIQP-XKSSXDPKSA-N 0 0 343.246 2.250 40 0 EEABRN Cc1nc2cc(-c3nccn3C)nn2c(N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000072338516 463509582 /nfs/dbraw/zinc/50/95/82/463509582.db2.gz GENMTYPDWDSXPS-RYUDHWBXSA-N 0 0 340.431 2.360 40 0 EEABRN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000083614836 463552471 /nfs/dbraw/zinc/55/24/71/463552471.db2.gz JYLIMFCSVWWGFU-AWEZNQCLSA-N 0 0 346.452 2.422 40 0 EEABRN CCn1nc(C)cc1C(=O)OCCNc1ncnc2ccccc21 ZINC000083952863 463567754 /nfs/dbraw/zinc/56/77/54/463567754.db2.gz QGCYMSRWNAJQBE-UHFFFAOYSA-N 0 0 325.372 2.424 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000108529288 463609857 /nfs/dbraw/zinc/60/98/57/463609857.db2.gz HMNPXKZKUCITMM-IRXDYDNUSA-N 0 0 343.452 2.259 40 0 EEABRN COc1ccc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F ZINC000084583562 463613961 /nfs/dbraw/zinc/61/39/61/463613961.db2.gz QEYWQEVYUCIPRV-OCCSQVGLSA-N 0 0 336.407 2.269 40 0 EEABRN O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000044226574 463670686 /nfs/dbraw/zinc/67/06/86/463670686.db2.gz OWJZDHKQFWQXIN-UHFFFAOYSA-N 0 0 345.321 2.083 40 0 EEABRN Cc1cccc(C(=O)N2CCC(c3cc(=O)n4nccc4[nH]3)CC2)n1 ZINC000257228674 463756612 /nfs/dbraw/zinc/75/66/12/463756612.db2.gz FUUZHXRTHQRNIC-UHFFFAOYSA-N 0 0 337.383 2.158 40 0 EEABRN CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257282260 463759928 /nfs/dbraw/zinc/75/99/28/463759928.db2.gz OTBAUTBBESIHEJ-CQSZACIVSA-N 0 0 333.823 2.059 40 0 EEABRN Cn1ccc(C(=O)N2CCCC[C@H]2c2nnc(-c3ccncc3)o2)n1 ZINC000257289312 463765094 /nfs/dbraw/zinc/76/50/94/463765094.db2.gz PYCDSFAOZJXLGQ-AWEZNQCLSA-N 0 0 338.371 2.233 40 0 EEABRN CC(=O)N1CCN(C(=O)c2scnc2C)[C@@H](c2ccccc2)C1 ZINC000257304807 463770957 /nfs/dbraw/zinc/77/09/57/463770957.db2.gz SNFGVEGEKSTIEL-OAHLLOKOSA-N 0 0 329.425 2.497 40 0 EEABRN CC(=O)N1CCN(C(=O)c2scnc2C)C[C@H]1c1ccccc1 ZINC000257309164 463771456 /nfs/dbraw/zinc/77/14/56/463771456.db2.gz TZUZZEAMXJLHQU-HNNXBMFYSA-N 0 0 329.425 2.497 40 0 EEABRN COc1cc(Cl)cc2cc(C(=O)N(C)[C@@H]3CC[C@@H](O)[C@@H]3O)oc21 ZINC000257308106 463772411 /nfs/dbraw/zinc/77/24/11/463772411.db2.gz TVKWKKABRNZAAX-JTNHKYCSSA-N 0 0 339.775 2.051 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257311999 463773158 /nfs/dbraw/zinc/77/31/58/463773158.db2.gz ULYYJTXQEMDYSE-CQSZACIVSA-N 0 0 348.410 2.357 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(Cc2cccs2)C1 ZINC000257312877 463773599 /nfs/dbraw/zinc/77/35/99/463773599.db2.gz UPZSAXLXPKYIGU-GFCCVEGCSA-N 0 0 339.486 2.329 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257325901 463778438 /nfs/dbraw/zinc/77/84/38/463778438.db2.gz WUYAREPFTRANCH-KRWDZBQOSA-N 0 0 329.448 2.071 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257327113 463779589 /nfs/dbraw/zinc/77/95/89/463779589.db2.gz WZZPAVMHXSYVHS-ZDUSSCGKSA-N 0 0 325.368 2.487 40 0 EEABRN CCn1nccc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 ZINC000257344236 463787188 /nfs/dbraw/zinc/78/71/88/463787188.db2.gz ZWFRMTODFNMUEQ-UHFFFAOYSA-N 0 0 348.472 2.179 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@H](C)c3cn(C)nc3C)CCO2)n1 ZINC000194204289 463814574 /nfs/dbraw/zinc/81/45/74/463814574.db2.gz ZIUHSCZDMOPDLT-RISCZKNCSA-N 0 0 349.460 2.338 40 0 EEABRN CCN1C(=O)N=NC1S(=O)(=O)[C@@H]1CCc2c1cccc2Cl ZINC000178942486 464021887 /nfs/dbraw/zinc/02/18/87/464021887.db2.gz GNZYMNKYYIAIDZ-LLVKDONJSA-N 0 0 327.793 2.118 40 0 EEABRN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(=O)c2ccccc21 ZINC000195570054 464079217 /nfs/dbraw/zinc/07/92/17/464079217.db2.gz RZXYSSWYVVNOAN-UHFFFAOYSA-N 0 0 347.440 2.327 40 0 EEABRN Cc1cc(CNC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n(C)n1 ZINC000222281256 464129406 /nfs/dbraw/zinc/12/94/06/464129406.db2.gz KNCBIGHMQJTRNX-UHFFFAOYSA-N 0 0 326.400 2.278 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000223189189 464137287 /nfs/dbraw/zinc/13/72/87/464137287.db2.gz LYRSTCFDOPEPLQ-HNNXBMFYSA-N 0 0 346.427 2.111 40 0 EEABRN CNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224302743 464149910 /nfs/dbraw/zinc/14/99/10/464149910.db2.gz PMAPLLFIPREBTG-UHFFFAOYSA-N 0 0 332.425 2.488 40 0 EEABRN NS(=O)(=O)Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000172852979 464154848 /nfs/dbraw/zinc/15/48/48/464154848.db2.gz CSHDFCWWAIIFDM-UHFFFAOYSA-N 0 0 344.314 2.145 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3OCCc4ccccc43)C2)nn1 ZINC000225429872 464160145 /nfs/dbraw/zinc/16/01/45/464160145.db2.gz MFVSCWDFDTYRRC-QAPCUYQASA-N 0 0 339.395 2.079 40 0 EEABRN COC(=O)[C@]12CN(C(=O)N[C@H](C)c3cn(C)nc3C)C[C@H]1CCCC2 ZINC000225458351 464161460 /nfs/dbraw/zinc/16/14/60/464161460.db2.gz PMQIKNPWKBJVPC-RVZJWNSFSA-N 0 0 348.447 2.164 40 0 EEABRN Cn1nc(C(=O)NCCCCc2ccc(Cl)s2)ccc1=O ZINC000225464031 464162552 /nfs/dbraw/zinc/16/25/52/464162552.db2.gz UESQUOUJKYGHGB-UHFFFAOYSA-N 0 0 325.821 2.248 40 0 EEABRN CN1c2cccnc2CN(C(=O)Nc2cccc(F)c2)CC[C@H]1CO ZINC000225497330 464166512 /nfs/dbraw/zinc/16/65/12/464166512.db2.gz RUQBXNRRAVVPHM-HNNXBMFYSA-N 0 0 344.390 2.456 40 0 biogenic,in-vitro EEABRN C[C@H](C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000188153070 464212174 /nfs/dbraw/zinc/21/21/74/464212174.db2.gz AMFIQBPMUPSXTF-SNVBAGLBSA-N 0 0 349.374 2.286 40 0 EEABRN Fc1ccc([C@@H](NC[C@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376395 464266432 /nfs/dbraw/zinc/26/64/32/464266432.db2.gz ANDUSRWMLULYOX-JKSUJKDBSA-N 0 0 347.390 2.150 40 0 EEABRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)N(C)C ZINC000188420375 464276803 /nfs/dbraw/zinc/27/68/03/464276803.db2.gz IKBIBMHDHQOGLQ-UHFFFAOYSA-N 0 0 329.194 2.106 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCCn1c2ccccc2oc1=O ZINC000188695875 464345424 /nfs/dbraw/zinc/34/54/24/464345424.db2.gz XRJXCJHMFCCROJ-LBPRGKRZSA-N 0 0 335.429 2.132 40 0 EEABRN CNC(=O)CN1CCC[C@H]1c1ccccc1I ZINC000239352168 464441918 /nfs/dbraw/zinc/44/19/18/464441918.db2.gz ABHNNXAXHSDQMA-LBPRGKRZSA-N 0 0 344.196 2.174 40 0 EEABRN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCSCC[C@H]1C)CC2 ZINC000189145209 464444977 /nfs/dbraw/zinc/44/49/77/464444977.db2.gz AYWPHWBCLWRYQT-CHWSQXEVSA-N 0 0 337.493 2.253 40 0 EEABRN COC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242701884 464458571 /nfs/dbraw/zinc/45/85/71/464458571.db2.gz WPOTWRTXDKCUDH-ZACQAIPSSA-N 0 0 335.400 2.109 40 0 EEABRN O=C(N1CCC(n2nccn2)CC1)C1(c2ccccc2)CCOCC1 ZINC000245026625 464466583 /nfs/dbraw/zinc/46/65/83/464466583.db2.gz NDSXJBGJHMWSCB-UHFFFAOYSA-N 0 0 340.427 2.190 40 0 EEABRN Cc1noc([C@@H]2COCCN2C(=O)Cc2cnc3ccccc3c2)n1 ZINC000190494123 464659639 /nfs/dbraw/zinc/65/96/39/464659639.db2.gz LNQYUZQRBXXYEP-INIZCTEOSA-N 0 0 338.367 2.069 40 0 EEABRN COc1ncccc1CN1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000247814579 464708485 /nfs/dbraw/zinc/70/84/85/464708485.db2.gz ALBNDEMBYHUAGI-MRXNPFEDSA-N 0 0 341.411 2.155 40 0 EEABRN CC(C)(C)n1ncnc1CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000282136770 464710855 /nfs/dbraw/zinc/71/08/55/464710855.db2.gz ALCGPGYXRNOZML-SFHVURJKSA-N 0 0 326.400 2.250 40 0 EEABRN CC[C@@]1(C)CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1 ZINC000190758211 464715477 /nfs/dbraw/zinc/71/54/77/464715477.db2.gz JLUZVIDBHIUDOJ-SFHVURJKSA-N 0 0 344.415 2.490 40 0 EEABRN CC(=O)N1c2ccc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)cc2C[C@H]1C ZINC000247950111 464716590 /nfs/dbraw/zinc/71/65/90/464716590.db2.gz QFXZIDXLEFXTGB-RDBSUJKOSA-N 0 0 345.443 2.032 40 0 EEABRN CCn1cc([C@@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)cn1 ZINC000190808508 464724182 /nfs/dbraw/zinc/72/41/82/464724182.db2.gz SQALSXVKIOMPCO-INIZCTEOSA-N 0 0 342.447 2.280 40 0 EEABRN Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 ZINC000248087457 464729412 /nfs/dbraw/zinc/72/94/12/464729412.db2.gz BNZABRNOTBVDOF-KRWDZBQOSA-N 0 0 342.443 2.453 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000192270164 464896662 /nfs/dbraw/zinc/89/66/62/464896662.db2.gz RBDBCKCDAGNVQV-LBPRGKRZSA-N 0 0 333.823 2.417 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)cn1 ZINC000249702995 464904668 /nfs/dbraw/zinc/90/46/68/464904668.db2.gz ZKJJOLKLACNBGF-SFHVURJKSA-N 0 0 342.443 2.248 40 0 EEABRN CC(=O)NC1CN(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)C1 ZINC000252490077 464967137 /nfs/dbraw/zinc/96/71/37/464967137.db2.gz KILQYTNGUWZMBB-ZDUSSCGKSA-N 0 0 345.447 2.121 40 0 EEABRN CN1c2ccc(S(=O)(=O)NCCc3ccco3)cc2CCCC1=O ZINC000252496544 464969478 /nfs/dbraw/zinc/96/94/78/464969478.db2.gz PKWNSRCQOUHVGN-UHFFFAOYSA-N 0 0 348.424 2.100 40 0 EEABRN COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000252515643 464977672 /nfs/dbraw/zinc/97/76/72/464977672.db2.gz MJFGSCNYKZIVNU-KZNAEPCWSA-N 0 0 349.427 2.357 40 0 EEABRN COC(=O)[C@@H](c1ccccc1C)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000253370750 464994166 /nfs/dbraw/zinc/99/41/66/464994166.db2.gz VMNYOTVYSQKHCI-MJGOQNOKSA-N 0 0 343.427 2.190 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NCc2cccc(Cl)c2)c1 ZINC000339546501 465337650 /nfs/dbraw/zinc/33/76/50/465337650.db2.gz XCICHVVJRUMUDE-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN O=C(N1CCC(c2c[nH]c3ccc(F)cc32)CC1)[C@@]1(O)CCOC1 ZINC000569210035 468456143 /nfs/dbraw/zinc/45/61/43/468456143.db2.gz IDIPQRCTIZBRND-GOSISDBHSA-N 0 0 332.375 2.164 40 0 EEABRN CCOC[C@@H]1CCN(C)C2(CN(C(=O)c3cc(C4CC4)on3)C2)C1 ZINC000306134993 466492538 /nfs/dbraw/zinc/49/25/38/466492538.db2.gz OEAPUCWFYLRKGL-CYBMUJFWSA-N 0 0 333.432 2.125 40 0 EEABRN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1nc2ccccc2s1 ZINC000390833997 467414384 /nfs/dbraw/zinc/41/43/84/467414384.db2.gz QDMMGXSZILOEJH-QGZVFWFLSA-N 0 0 343.408 2.156 40 0 EEABRN Cc1nn(C)c2sc(C(=O)N3CCC[C@H](C4N=NC(=O)O4)C3)cc12 ZINC000407994155 467491445 /nfs/dbraw/zinc/49/14/45/467491445.db2.gz AXBUFALTRHZSAJ-VIFPVBQESA-N 0 0 347.400 2.052 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000575406652 468142560 /nfs/dbraw/zinc/14/25/60/468142560.db2.gz ZNAAXCKULXYFJG-CYBMUJFWSA-N 0 0 343.383 2.085 40 0 EEABRN CCc1ncnc(N2CCN(c3ccc(C4CC4)nn3)CC2)c1F ZINC000575607602 468146612 /nfs/dbraw/zinc/14/66/12/468146612.db2.gz IWQOQOMMLWDJDQ-UHFFFAOYSA-N 0 0 328.395 2.172 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1cnc3ccccc3c1)[C@@H]2C ZINC000585096722 468964243 /nfs/dbraw/zinc/96/42/43/468964243.db2.gz BGBWSBXOBJFCLS-GFCCVEGCSA-N 0 0 337.383 2.190 40 0 EEABRN C[C@H]1c2ncc(CCOc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585096780 468964438 /nfs/dbraw/zinc/96/44/38/468964438.db2.gz AFKMAXBKCGXDQQ-AWEZNQCLSA-N 0 0 338.415 2.200 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2cncn2CC[C@@H]1COCC1CC1 ZINC000585096969 468964761 /nfs/dbraw/zinc/96/47/61/468964761.db2.gz GDNQPMQCBOCXPR-OAHLLOKOSA-N 0 0 344.415 2.329 40 0 EEABRN CCOC[C@H]1CCn2cncc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585097805 468965887 /nfs/dbraw/zinc/96/58/87/468965887.db2.gz QJXPQOVIQZTTQJ-CQSZACIVSA-N 0 0 343.383 2.063 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000585100881 468968638 /nfs/dbraw/zinc/96/86/38/468968638.db2.gz MYKATESBJALKDL-TXVKYFBMSA-N 0 0 334.391 2.359 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111150 468974700 /nfs/dbraw/zinc/97/47/00/468974700.db2.gz GSZWOFOTEICLFV-COXVUDFISA-N 0 0 325.412 2.317 40 0 EEABRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000585141136 468990762 /nfs/dbraw/zinc/99/07/62/468990762.db2.gz PXCHAQKWAKNELG-JTQLQIEISA-N 0 0 347.268 2.261 40 0 EEABRN CCC(=O)N1CCC(Cc2nc(C)cc(-c3nccn3C)n2)CC1 ZINC000585178876 468993857 /nfs/dbraw/zinc/99/38/57/468993857.db2.gz XKZSBZSYCWZULN-UHFFFAOYSA-N 0 0 327.432 2.377 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2cccc(F)c2C)C[C@]12CCCO2 ZINC000585266276 468994920 /nfs/dbraw/zinc/99/49/20/468994920.db2.gz FOLUCDXSPZCTIF-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cccc3cccnc32)C1 ZINC000585277766 469003090 /nfs/dbraw/zinc/00/30/90/469003090.db2.gz LCISDNKTMLXTOM-LJQANCHMSA-N 0 0 341.411 2.122 40 0 EEABRN CCCn1cc(CN2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)cn1 ZINC000585278323 469003743 /nfs/dbraw/zinc/00/37/43/469003743.db2.gz RVPRGERLGUXTMY-FQEVSTJZSA-N 0 0 343.471 2.408 40 0 EEABRN COc1cccc(CC(=O)N2CCC(Oc3ccc(C)nn3)CC2)c1 ZINC000096119437 525866268 /nfs/dbraw/zinc/86/62/68/525866268.db2.gz GZMDEWMTPHROAC-UHFFFAOYSA-N 0 0 341.411 2.406 40 0 EEABRN CC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000190320488 526711383 /nfs/dbraw/zinc/71/13/83/526711383.db2.gz WBPOSQRYPQEAKC-SNVBAGLBSA-N 0 0 343.349 2.166 40 0 EEABRN CCOC(=O)c1ccc(-c2ccc(CNc3nnnn3C)o2)cc1 ZINC000007601759 528196259 /nfs/dbraw/zinc/19/62/59/528196259.db2.gz XWQTVTLAOXXQNQ-UHFFFAOYSA-N 0 0 327.344 2.259 40 0 EEABRN CCOc1ccc(C(=O)N(CC)CC)cc1S(=O)(=O)NC(C)C ZINC000408701133 528388972 /nfs/dbraw/zinc/38/89/72/528388972.db2.gz RYZQRRJQBWHSHX-UHFFFAOYSA-N 0 0 342.461 2.254 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000257343049 536421772 /nfs/dbraw/zinc/42/17/72/536421772.db2.gz ZRGMBGCNOPFFLJ-OAHLLOKOSA-N 0 0 349.398 2.076 40 0 EEABRN NC(=O)c1cc(N(Cc2nc3ccccc3s2)C2CC2)ncn1 ZINC000895813746 684734146 /nfs/dbraw/zinc/73/41/46/684734146.db2.gz GABREBNQYVCZJG-UHFFFAOYSA-N 0 0 325.397 2.354 40 0 EEABRN Cc1cn2c(nc(CN3CC=C(c4ccnn4C)CC3)cc2=O)s1 ZINC000930446520 1206558549 /nfs/dbraw/zinc/55/85/49/1206558549.db2.gz SHZLEIAKZOPFJK-UHFFFAOYSA-N 0 0 341.440 2.087 40 0 EEABRN Cc1ccc(Br)c(C(=O)NC[C@H](O)Cc2ccccc2)n1 ZINC000934443728 1207965264 /nfs/dbraw/zinc/96/52/64/1207965264.db2.gz OLHQQXARTCHUHR-CYBMUJFWSA-N 0 0 349.228 2.486 40 0 EEABRN Cn1nncc1NC(=O)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000931277445 1297128582 /nfs/dbraw/zinc/12/85/82/1297128582.db2.gz PTIXAKNVHDJJRO-UHFFFAOYSA-N 0 0 332.433 2.172 40 0 EEABRN CCCOc1ccc(Oc2nc(NCC)nc(N3CCCC3)n2)nn1 ZINC000016887265 1352355104 /nfs/dbraw/zinc/35/51/04/1352355104.db2.gz UJVKVPXVWDFNOR-UHFFFAOYSA-N 0 0 345.407 2.275 40 0 EEABRN COCC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C ZINC000032647666 1352382954 /nfs/dbraw/zinc/38/29/54/1352382954.db2.gz KRQYICPQABBVKV-UHFFFAOYSA-N 0 0 325.315 2.400 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCCC4)nc(C)n23)s1 ZINC000012115318 201825629 /nfs/dbraw/zinc/82/56/29/201825629.db2.gz GNMQSWDGPQJVGY-UHFFFAOYSA-N 0 0 344.440 2.340 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000012132619 201827343 /nfs/dbraw/zinc/82/73/43/201827343.db2.gz WHHDWIYABGXSEF-CQSZACIVSA-N 0 0 336.457 2.381 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1 ZINC000013671680 201907211 /nfs/dbraw/zinc/90/72/11/201907211.db2.gz SADFPZPXKJBTPS-ZDUSSCGKSA-N 0 0 338.473 2.328 40 0 EEABRN Cc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)n1 ZINC000205798136 539656645 /nfs/dbraw/zinc/65/66/45/539656645.db2.gz FBQFSCKGIYQVLF-GXDHUFHOSA-N 0 0 345.424 2.439 40 0 EEABRN Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CC3)c2N)cc1 ZINC000019213080 201999266 /nfs/dbraw/zinc/99/92/66/201999266.db2.gz WDPJZCXFCPJYBY-INIZCTEOSA-N 0 0 338.411 2.347 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)Cc2ccccc2F)[nH]c(=O)c1C ZINC000019555501 202011668 /nfs/dbraw/zinc/01/16/68/202011668.db2.gz YIHQQSBFHBLPIE-OAHLLOKOSA-N 0 0 329.375 2.432 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCC(CC(=O)NCC2CC2)CC1 ZINC000019748510 202017817 /nfs/dbraw/zinc/01/78/17/202017817.db2.gz SYZGMKVBCVBOGN-UHFFFAOYSA-N 0 0 333.432 2.314 40 0 EEABRN COc1ncccc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184060243 235294549 /nfs/dbraw/zinc/29/45/49/235294549.db2.gz DBZCHPKEOKMEPD-UHFFFAOYSA-N 0 0 344.386 2.439 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C)C1 ZINC000020017648 202028986 /nfs/dbraw/zinc/02/89/86/202028986.db2.gz BHORVKLXVFLQBP-GFCCVEGCSA-N 0 0 328.409 2.134 40 0 EEABRN CCOC(=O)Cc1cs/c(=N\c2cccc(C)c2C)n1CCO ZINC000022855466 202094406 /nfs/dbraw/zinc/09/44/06/202094406.db2.gz HTGSHLTUHQXLFB-ZCXUNETKSA-N 0 0 334.441 2.497 40 0 EEABRN COc1ccc(-n2cnc3c(cnn3CN3CCCCC3)c2=O)cc1 ZINC000031771911 202210201 /nfs/dbraw/zinc/21/02/01/202210201.db2.gz VFCATLUABJKALK-UHFFFAOYSA-N 0 0 339.399 2.034 40 0 EEABRN CNC(=O)CN1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257263357 283317567 /nfs/dbraw/zinc/31/75/67/283317567.db2.gz LPMROHBVZIOUOV-HNNXBMFYSA-N 0 0 340.431 2.197 40 0 EEABRN CN1C(SCc2ccccc2Cl)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508658 202226754 /nfs/dbraw/zinc/22/67/54/202226754.db2.gz CHQNNBHWCNYKOY-RYUDHWBXSA-N 0 0 330.862 2.040 40 0 EEABRN Cc1nn(C)c(-n2cccn2)c1C(=O)NCCOC1CCCCCC1 ZINC000189682521 237140999 /nfs/dbraw/zinc/14/09/99/237140999.db2.gz GPNXHDHWCHGVBD-UHFFFAOYSA-N 0 0 345.447 2.383 40 0 EEABRN COc1ccccc1[C@H](NC(=O)c1cscn1)c1noc(C)n1 ZINC000070982649 202337936 /nfs/dbraw/zinc/33/79/36/202337936.db2.gz RKPSAVYQWQGUGN-ZDUSSCGKSA-N 0 0 330.369 2.363 40 0 EEABRN COc1cccc(N[C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c1 ZINC000036635592 202327989 /nfs/dbraw/zinc/32/79/89/202327989.db2.gz MFXCGRJGQKLHBD-CQSZACIVSA-N 0 0 326.352 2.448 40 0 EEABRN CC(C)Oc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2occc21 ZINC000071195357 202341266 /nfs/dbraw/zinc/34/12/66/202341266.db2.gz DHWONAVQGZDSEW-GFCCVEGCSA-N 0 0 337.397 2.137 40 0 EEABRN Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072563294 202364988 /nfs/dbraw/zinc/36/49/88/202364988.db2.gz RNGRBUXCXMYQAG-SECBINFHSA-N 0 0 327.348 2.150 40 0 EEABRN CC(C)c1nccn1CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000073096324 202369066 /nfs/dbraw/zinc/36/90/66/202369066.db2.gz YBLIRZYWZKWKKA-OAHLLOKOSA-N 0 0 340.427 2.318 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)n(C)n1 ZINC000072241818 202358528 /nfs/dbraw/zinc/35/85/28/202358528.db2.gz RNYQYSOKFMZGGL-PBHICJAKSA-N 0 0 344.390 2.416 40 0 EEABRN O=C(N[C@H](c1nccs1)C1CC1)N1CCN(Cc2ccon2)CC1 ZINC000074709617 202372802 /nfs/dbraw/zinc/37/28/02/202372802.db2.gz GVVNDZUGKGMMIM-AWEZNQCLSA-N 0 0 347.444 2.110 40 0 EEABRN O=C(CNC(=O)c1cccnc1)N1CCC(Cc2ccccc2)CC1 ZINC000074752424 202373142 /nfs/dbraw/zinc/37/31/42/202373142.db2.gz ONPSCYAETJPHOT-UHFFFAOYSA-N 0 0 337.423 2.293 40 0 EEABRN O=C(NCc1nccn1Cc1ccccc1)N[C@@H]1CCCC[C@H]1O ZINC000074818075 202373892 /nfs/dbraw/zinc/37/38/92/202373892.db2.gz QLSBNCALGJSOSG-HZPDHXFCSA-N 0 0 328.416 2.034 40 0 EEABRN O=C(Nc1ccccc1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 ZINC000075156550 202376269 /nfs/dbraw/zinc/37/62/69/202376269.db2.gz KNPBBJCXPUPGMH-UHFFFAOYSA-N 0 0 337.339 2.056 40 0 EEABRN COCCNC(=O)CNc1ccc2cc(Br)ccc2n1 ZINC000077187990 202385369 /nfs/dbraw/zinc/38/53/69/202385369.db2.gz CCMBPIFNNNUTSE-UHFFFAOYSA-N 0 0 338.205 2.172 40 0 EEABRN COc1ccc(C(C)(C)CNC(=O)N2CCO[C@@H](C)C2)cc1OC ZINC000078602595 202397485 /nfs/dbraw/zinc/39/74/85/202397485.db2.gz HQUFONMEBGOBQY-ZDUSSCGKSA-N 0 0 336.432 2.412 40 0 EEABRN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000078393908 202390213 /nfs/dbraw/zinc/39/02/13/202390213.db2.gz VRYALDHQSQHEEO-INIZCTEOSA-N 0 0 341.411 2.480 40 0 EEABRN Cc1ncc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)s1 ZINC000077820647 202392900 /nfs/dbraw/zinc/39/29/00/202392900.db2.gz YBMBOCBRTRWMRK-UHFFFAOYSA-N 0 0 327.768 2.499 40 0 EEABRN C[C@]1(O)CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000190255838 238337233 /nfs/dbraw/zinc/33/72/33/238337233.db2.gz QQOFJJVHSWNWJG-INIZCTEOSA-N 0 0 328.359 2.387 40 0 EEABRN Nc1cc2nn(-c3ccc4c(c3)OCO4)nc2cc1Br ZINC000216870730 283660063 /nfs/dbraw/zinc/66/00/63/283660063.db2.gz AMCSSPDKUDVEAH-UHFFFAOYSA-N 0 0 333.145 2.494 40 0 EEABRN CCc1cc(N2C[C@@H](C(N)=O)CC2=O)cc(C)c1Br ZINC000045889630 201104581 /nfs/dbraw/zinc/10/45/81/201104581.db2.gz QZIIWNGZMGLFPT-JTQLQIEISA-N 0 0 325.206 2.158 40 0 EEABRN Cc1cccc(NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1Br ZINC000194149587 201147668 /nfs/dbraw/zinc/14/76/68/201147668.db2.gz FNXFMPSPEMLPHL-CABZTGNLSA-N 0 0 340.221 2.404 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCS[C@H](C)CC1 ZINC000276949344 201298906 /nfs/dbraw/zinc/29/89/06/201298906.db2.gz OLRHOUVNPAAARC-SNVBAGLBSA-N 0 0 349.499 2.359 40 0 EEABRN C[C@]1(NC(=O)/C=C/c2c(F)cccc2Cl)CCS(=O)(=O)C1 ZINC000044869777 202529335 /nfs/dbraw/zinc/52/93/35/202529335.db2.gz VELAXRQUOKMAOV-GJBLVYBDSA-N 0 0 331.796 2.186 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(NCc2ccc3c[nH]nc3c2)c1 ZINC000193149107 240039239 /nfs/dbraw/zinc/03/92/39/240039239.db2.gz VJEUXXJNDFBKJG-UHFFFAOYSA-N 0 0 330.413 2.425 40 0 EEABRN CCn1cnnc1[C@H]1CCCN(C(=O)c2nc3cccnc3s2)C1 ZINC000194011429 240399764 /nfs/dbraw/zinc/39/97/64/240399764.db2.gz ZAFMWRUCGFAKAT-NSHDSACASA-N 0 0 342.428 2.323 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000195559996 241009681 /nfs/dbraw/zinc/00/96/81/241009681.db2.gz KPSGECXAEALWDU-JTQLQIEISA-N 0 0 348.834 2.330 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000195566100 241015396 /nfs/dbraw/zinc/01/53/96/241015396.db2.gz FRASQJUHHOGUSS-WFASDCNBSA-N 0 0 349.406 2.031 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c1 ZINC000211094892 241078094 /nfs/dbraw/zinc/07/80/94/241078094.db2.gz RHOQHHAYBJBEES-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218487486 241326806 /nfs/dbraw/zinc/32/68/06/241326806.db2.gz KGOMHKWVBJQRJM-DYEKYZERSA-N 0 0 347.889 2.159 40 0 EEABRN CCCn1nnnc1NC(=S)NC(=O)c1ccc(C)cc1Cl ZINC000000569723 201488576 /nfs/dbraw/zinc/48/85/76/201488576.db2.gz SEXQSBMHVALIRA-UHFFFAOYSA-N 0 0 338.824 2.172 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218596387 241333013 /nfs/dbraw/zinc/33/30/13/241333013.db2.gz NIFZYICKKJILOA-VNHYZAJKSA-N 0 0 345.461 2.035 40 0 EEABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(N)(=O)=O ZINC000223036778 241595143 /nfs/dbraw/zinc/59/51/43/241595143.db2.gz VICNNKSPNGMGHZ-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN COc1nccnc1O[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000225807403 242046143 /nfs/dbraw/zinc/04/61/43/242046143.db2.gz ZMZHJOUWCAUVKB-HNNXBMFYSA-N 0 0 327.384 2.098 40 0 EEABRN Cc1nc(-c2cccnc2)sc1C(=O)NCCSc1nc[nH]n1 ZINC000225859084 242064263 /nfs/dbraw/zinc/06/42/63/242064263.db2.gz OKZMDKYGLIWFQK-UHFFFAOYSA-N 0 0 346.441 2.154 40 0 EEABRN C[C@@H](NC(=O)NCCCOC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000225756674 242020696 /nfs/dbraw/zinc/02/06/96/242020696.db2.gz MFYKYIYKDAUQLF-SECBINFHSA-N 0 0 343.330 2.007 40 0 EEABRN CN1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000226751354 242113221 /nfs/dbraw/zinc/11/32/21/242113221.db2.gz RGFHIOICZXBGGB-UHFFFAOYSA-N 0 0 338.333 2.279 40 0 EEABRN COCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl ZINC000227152601 242123527 /nfs/dbraw/zinc/12/35/27/242123527.db2.gz VFFDXCYEQAJGMO-GFCCVEGCSA-N 0 0 337.807 2.446 40 0 EEABRN CCN1c2cc(S(=O)(=O)Nc3ccccc3)ccc2OCC1=O ZINC000227162138 242125412 /nfs/dbraw/zinc/12/54/12/242125412.db2.gz FNLRSFPDKQYWRB-UHFFFAOYSA-N 0 0 332.381 2.233 40 0 EEABRN Cc1ccc(-n2cc(S(=O)(=O)N3CCO[C@H]4CCC[C@H]43)cn2)cc1 ZINC000230095871 242230546 /nfs/dbraw/zinc/23/05/46/242230546.db2.gz IYCNTJDSKRPCHA-SJORKVTESA-N 0 0 347.440 2.123 40 0 EEABRN Cc1cc(N(CCO)CCO)c(C)cc1NC(=O)c1ccccc1 ZINC000001701559 201516906 /nfs/dbraw/zinc/51/69/06/201516906.db2.gz VTUFFJYGGGALHC-UHFFFAOYSA-N 0 0 328.412 2.347 40 0 EEABRN COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NC(C)C ZINC000005127396 201640005 /nfs/dbraw/zinc/64/00/05/201640005.db2.gz YUFQYAMJGYAUDI-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN O=C(c1cnsn1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000241121822 242982945 /nfs/dbraw/zinc/98/29/45/242982945.db2.gz JEDCKPSEMZQQJP-LBPRGKRZSA-N 0 0 341.339 2.353 40 0 EEABRN Cc1ccc(C(=O)N2CCC(N3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 ZINC000241969545 243007827 /nfs/dbraw/zinc/00/78/27/243007827.db2.gz UXJGWEXPSSLODT-INIZCTEOSA-N 0 0 341.411 2.026 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 ZINC000244022580 243037061 /nfs/dbraw/zinc/03/70/61/243037061.db2.gz SPVVSTHMZLYVBB-UHFFFAOYSA-N 0 0 330.837 2.021 40 0 EEABRN C[C@H]1Oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2NC1=O ZINC000252501930 243826051 /nfs/dbraw/zinc/82/60/51/243826051.db2.gz ULZBOYPOVZNFLA-SECBINFHSA-N 0 0 336.344 2.346 40 0 EEABRN Cc1cscc1CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000252490075 243794815 /nfs/dbraw/zinc/79/48/15/243794815.db2.gz KIKMCCCGLWWONL-ZFWWWQNUSA-N 0 0 338.473 2.423 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253421316 243958682 /nfs/dbraw/zinc/95/86/82/243958682.db2.gz HTRTUXCJSVHYMJ-UXEPBGEESA-N 0 0 346.406 2.446 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)C2CCC2)C3)nc1 ZINC000253600058 244030978 /nfs/dbraw/zinc/03/09/78/244030978.db2.gz CCXDHDAFPSHJPY-HNNXBMFYSA-N 0 0 330.432 2.005 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257205120 244131188 /nfs/dbraw/zinc/13/11/88/244131188.db2.gz AXTCICSLRJZGFK-ZDUSSCGKSA-N 0 0 325.372 2.285 40 0 EEABRN CN(C(=O)c1cnc(C2CC2)nc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257200026 244116023 /nfs/dbraw/zinc/11/60/23/244116023.db2.gz ABRUJQNPHCIYQH-INIZCTEOSA-N 0 0 337.427 2.490 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H](c3nccc(C)n3)C2)cc1F ZINC000257201414 244120118 /nfs/dbraw/zinc/12/01/18/244120118.db2.gz AHQDEHFWLDVAFT-CQSZACIVSA-N 0 0 329.375 2.491 40 0 EEABRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000040464809 203156917 /nfs/dbraw/zinc/15/69/17/203156917.db2.gz TTYFKARWYIQHND-UHFFFAOYSA-N 0 0 348.366 2.246 40 0 EEABRN COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2ccncn2)c1 ZINC000257208439 244144742 /nfs/dbraw/zinc/14/47/42/244144742.db2.gz BMDXJOJZRUGEDK-INIZCTEOSA-N 0 0 335.367 2.079 40 0 EEABRN CCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000257210985 244150241 /nfs/dbraw/zinc/15/02/41/244150241.db2.gz BWYHOLGWPLUIRT-UHFFFAOYSA-N 0 0 334.445 2.104 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)nc(C)n1 ZINC000257222340 244189888 /nfs/dbraw/zinc/18/98/88/244189888.db2.gz DSXCWXPAICFXDS-HNNXBMFYSA-N 0 0 326.404 2.211 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2cccnc2)CCN1C(C)=O ZINC000257225906 244200840 /nfs/dbraw/zinc/20/08/40/244200840.db2.gz FIHZBEKREAAJGP-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN CCCc1cc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)no1 ZINC000257226562 244201823 /nfs/dbraw/zinc/20/18/23/244201823.db2.gz FLEJRFWTDJUBAR-INIZCTEOSA-N 0 0 344.415 2.302 40 0 EEABRN CO[C@H]1CN(C(=O)c2cn3cc(C)ccc3n2)CC[C@@]12CCCO2 ZINC000257226814 244205218 /nfs/dbraw/zinc/20/52/18/244205218.db2.gz FMHBFHLSKWCHHU-YJBOKZPZSA-N 0 0 329.400 2.053 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257232156 244216184 /nfs/dbraw/zinc/21/61/84/244216184.db2.gz GJQPBBPMJNEVJX-LBPRGKRZSA-N 0 0 345.403 2.027 40 0 EEABRN CS(=O)(=O)N1CCCC[C@@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372057 203209020 /nfs/dbraw/zinc/20/90/20/203209020.db2.gz MXUROWQSXCZUOM-CYBMUJFWSA-N 0 0 333.417 2.102 40 0 EEABRN Cc1nc(NCC2CCCCC2)cc([C@@H]2CCN2S(C)(=O)=O)n1 ZINC000072387669 203212048 /nfs/dbraw/zinc/21/20/48/203212048.db2.gz AWWXMVKVXAIPEM-HNNXBMFYSA-N 0 0 338.477 2.484 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cc(Nc3ccccn3)nc(C)n2)C1 ZINC000072360276 203205140 /nfs/dbraw/zinc/20/51/40/203205140.db2.gz VFFDEGPZFGVAAM-AWEZNQCLSA-N 0 0 341.415 2.276 40 0 EEABRN CCCn1cc(CN2CCC[C@@H]2c2cccc(CCC(N)=O)n2)cn1 ZINC000072367202 203207217 /nfs/dbraw/zinc/20/72/17/203207217.db2.gz HMLOHJRANRQSAD-GOSISDBHSA-N 0 0 341.459 2.443 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257247502 244260408 /nfs/dbraw/zinc/26/04/08/244260408.db2.gz IZHFCYADRNFVOH-QGZVFWFLSA-N 0 0 329.375 2.375 40 0 EEABRN Cn1ccnc1-c1cc(C[C@H]2CCN(Cc3cscn3)C2)ncn1 ZINC000257267507 244366795 /nfs/dbraw/zinc/36/67/95/244366795.db2.gz MHPDREPNCXVCGH-CYBMUJFWSA-N 0 0 340.456 2.398 40 0 EEABRN Cc1cc(C2CCN(C(=O)CCn3ccnc3)CC2)nc2ccnn21 ZINC000257269480 244374840 /nfs/dbraw/zinc/37/48/40/244374840.db2.gz MQEAZMPIEYBMFA-UHFFFAOYSA-N 0 0 338.415 2.031 40 0 EEABRN CC(=O)N[C@@H]1C[C@H](c2cccs2)OC2(CCN(C(C)=O)CC2)C1 ZINC000257279011 244401815 /nfs/dbraw/zinc/40/18/15/244401815.db2.gz OEPLOPBOKSJEED-HUUCEWRRSA-N 0 0 336.457 2.485 40 0 EEABRN Cn1cncc1-c1nccnc1CC1CCN(c2cnccn2)CC1 ZINC000257279272 244402315 /nfs/dbraw/zinc/40/23/15/244402315.db2.gz OFVSXJFKMPLCDR-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257289413 244432770 /nfs/dbraw/zinc/43/27/70/244432770.db2.gz PYMXQZATRXDOBG-QGZVFWFLSA-N 0 0 348.406 2.499 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257305259 244476948 /nfs/dbraw/zinc/47/69/48/244476948.db2.gz SPEINPUMBVDXLV-CYBMUJFWSA-N 0 0 342.424 2.351 40 0 EEABRN Cc1ncccc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 ZINC000257322980 244524144 /nfs/dbraw/zinc/52/41/44/244524144.db2.gz WIHCWDPANUNMNW-QGZVFWFLSA-N 0 0 325.416 2.219 40 0 EEABRN CN1C[C@@H](NC(=O)c2csc(CCc3ccccc3)n2)CCC1=O ZINC000078841259 203431233 /nfs/dbraw/zinc/43/12/33/203431233.db2.gz DMCBPXPTJSZZFX-AWEZNQCLSA-N 0 0 343.452 2.279 40 0 EEABRN Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)cn1 ZINC000096109267 203838025 /nfs/dbraw/zinc/83/80/25/203838025.db2.gz QOFTXCODMKVUGH-MJGOQNOKSA-N 0 0 340.427 2.274 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)Cc1ccsc1 ZINC000096045377 203804518 /nfs/dbraw/zinc/80/45/18/203804518.db2.gz WPXUJWXFKZPUEB-HNNXBMFYSA-N 0 0 346.456 2.065 40 0 EEABRN COC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000042228587 204078025 /nfs/dbraw/zinc/07/80/25/204078025.db2.gz NFOHCFCJRCVKBH-UHFFFAOYSA-N 0 0 340.264 2.310 40 0 EEABRN Cc1cc(C)[nH]c(=NNS(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000045343351 204322204 /nfs/dbraw/zinc/32/22/04/204322204.db2.gz FSTYVVWLQWSMNR-UHFFFAOYSA-N 0 0 330.413 2.327 40 0 EEABRN O=C(c1ccc2nsnc2c1)N1CCN(CC(F)(F)F)CC1 ZINC000044448708 204299556 /nfs/dbraw/zinc/29/95/56/204299556.db2.gz DAGHAAHLZSEKGD-UHFFFAOYSA-N 0 0 330.335 2.011 40 0 EEABRN Cc1noc(C)c1CN1CCN(C(=O)COc2ccccc2F)CC1 ZINC000044448782 204299862 /nfs/dbraw/zinc/29/98/62/204299862.db2.gz UMBDVDNQCLTEKM-UHFFFAOYSA-N 0 0 347.390 2.154 40 0 EEABRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2c(C)ccn(C)c2=O)o1 ZINC000162098723 205341002 /nfs/dbraw/zinc/34/10/02/205341002.db2.gz UTVIEYKAVGOXIL-ZDUSSCGKSA-N 0 0 331.372 2.201 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 ZINC000169900980 206567112 /nfs/dbraw/zinc/56/71/12/206567112.db2.gz JOYNBELPJFEDIL-IJLUTSLNSA-N 0 0 338.429 2.073 40 0 EEABRN CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)c1 ZINC000095448161 218391622 /nfs/dbraw/zinc/39/16/22/218391622.db2.gz UMZNJGGGCXEGHE-UHFFFAOYSA-N 0 0 347.318 2.474 40 0 EEABRN C[C@H]1OCC[C@@H]1NC(=O)NCCc1nc2cc(Cl)ccc2n1C ZINC000095448753 218393187 /nfs/dbraw/zinc/39/31/87/218393187.db2.gz HXDUMHAMSQRBSE-PWSUYJOCSA-N 0 0 336.823 2.246 40 0 EEABRN CN1C(=O)C[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1cccs1 ZINC000096181109 218642574 /nfs/dbraw/zinc/64/25/74/218642574.db2.gz FOYHSDWDBSQVHU-WFASDCNBSA-N 0 0 343.408 2.005 40 0 EEABRN O=C(CCc1ccncc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000096402798 218751252 /nfs/dbraw/zinc/75/12/52/218751252.db2.gz OLDHQDRDVIKTNB-GOSISDBHSA-N 0 0 337.423 2.020 40 0 EEABRN O=C(NC1CC1)c1ccc(O[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000096410875 218766372 /nfs/dbraw/zinc/76/63/72/218766372.db2.gz LDOGUIIHKXJCSK-CYBMUJFWSA-N 0 0 342.317 2.121 40 0 EEABRN C[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1nc(C(C)(C)C)no1 ZINC000177582407 207358703 /nfs/dbraw/zinc/35/87/03/207358703.db2.gz PLFXNCWVNOFIPW-QWHCGFSZSA-N 0 0 346.435 2.499 40 0 EEABRN C[C@H]1C/C=C/[C@H](O)[C@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000013309323 207372408 /nfs/dbraw/zinc/37/24/08/207372408.db2.gz NHAQNKDEUQPSIX-YEAWRNPISA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1cc(F)ccc1F ZINC000096419028 218782504 /nfs/dbraw/zinc/78/25/04/218782504.db2.gz PCYSIFLRYUSAJN-IAQYHMDHSA-N 0 0 340.370 2.027 40 0 EEABRN CC(C)c1cnc(NC(=O)CCn2nc3ccccn3c2=O)s1 ZINC000096425799 218795643 /nfs/dbraw/zinc/79/56/43/218795643.db2.gz DMHZKUNBPSUCJT-UHFFFAOYSA-N 0 0 331.401 2.105 40 0 EEABRN C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Oc1cccc(F)c1 ZINC000096426770 218797932 /nfs/dbraw/zinc/79/79/32/218797932.db2.gz NVWSXFJGMGDUJQ-ZDUSSCGKSA-N 0 0 330.359 2.139 40 0 EEABRN O=c1[nH]nc(SCc2cccc(Cl)n2)n1C[C@@H]1CCCO1 ZINC000096435640 218814733 /nfs/dbraw/zinc/81/47/33/218814733.db2.gz PCBXDJLLQGGIJV-JTQLQIEISA-N 0 0 326.809 2.091 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n1 ZINC000096439312 218818967 /nfs/dbraw/zinc/81/89/67/218818967.db2.gz DSVOOCCGDUQGOQ-KZULUSFZSA-N 0 0 348.447 2.305 40 0 EEABRN CC[C@@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)CCS1 ZINC000096440365 218820540 /nfs/dbraw/zinc/82/05/40/218820540.db2.gz JPNJVFBQSWJZFP-IVZQSRNASA-N 0 0 340.514 2.472 40 0 EEABRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096446224 218828760 /nfs/dbraw/zinc/82/87/60/218828760.db2.gz BQUUMYKCVOZSAH-YYUOZPCZSA-N 0 0 347.440 2.348 40 0 EEABRN CC(C)C[C@H]1CCCCN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000096465875 218845555 /nfs/dbraw/zinc/84/55/55/218845555.db2.gz OBFIUEGOELIGSW-CQSZACIVSA-N 0 0 330.494 2.421 40 0 EEABRN CC[C@](O)(CNC(=O)CCOC)c1ccc(Br)cc1 ZINC000096473731 218851398 /nfs/dbraw/zinc/85/13/98/218851398.db2.gz DNMJJCPLMYIPKI-AWEZNQCLSA-N 0 0 330.222 2.199 40 0 EEABRN Cc1cn(-c2ccccc2Cl)nc1C(=O)OC[C@@H]1CCC(=O)N1 ZINC000097230427 219000014 /nfs/dbraw/zinc/00/00/14/219000014.db2.gz WTTBMMAEDCPFTP-NSHDSACASA-N 0 0 333.775 2.270 40 0 EEABRN C[C@H](NC(=O)NCc1c(F)cccc1OC(F)F)c1nc[nH]n1 ZINC000097234487 219002613 /nfs/dbraw/zinc/00/26/13/219002613.db2.gz GVZGRSNBZKRDRG-ZETCQYMHSA-N 0 0 329.282 2.106 40 0 EEABRN C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1nccs1 ZINC000097373783 219017024 /nfs/dbraw/zinc/01/70/24/219017024.db2.gz UAHBRIFVYGBVNF-OCCSQVGLSA-N 0 0 344.440 2.351 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000187196630 533137693 /nfs/dbraw/zinc/13/76/93/533137693.db2.gz FRHYOGFDHLKXLU-OLZOCXBDSA-N 0 0 329.404 2.464 40 0 EEABRN NS(=O)(=O)c1cncc(Br)c1NCc1ccccc1 ZINC000072210830 257690259 /nfs/dbraw/zinc/69/02/59/257690259.db2.gz OKXPLVWCAPAUGV-UHFFFAOYSA-N 0 0 342.218 2.104 40 0 EEABRN Cc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000409058976 257881293 /nfs/dbraw/zinc/88/12/93/257881293.db2.gz QAADFZHYEJDLIO-LSDHHAIUSA-N 0 0 329.787 2.123 40 0 EEABRN Cc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)NCC(C)C ZINC000408583749 257895741 /nfs/dbraw/zinc/89/57/41/257895741.db2.gz JQHTWSSVDRQECQ-UHFFFAOYSA-N 0 0 326.462 2.315 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 ZINC000306126644 257918751 /nfs/dbraw/zinc/91/87/51/257918751.db2.gz FAVKZCIAEPFJJX-BFHYXJOUSA-N 0 0 344.440 2.046 40 0 EEABRN COC[C@H](C)n1c(C)cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@H]2C)c1C ZINC000245305009 258000460 /nfs/dbraw/zinc/00/04/60/258000460.db2.gz HMSKDLNALLBQSN-INWMFGNUSA-N 0 0 349.475 2.081 40 0 EEABRN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccsc1 ZINC000371244946 258001870 /nfs/dbraw/zinc/00/18/70/258001870.db2.gz RLVDAFOIWDOXBS-SECBINFHSA-N 0 0 330.335 2.394 40 0 EEABRN CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000008041514 533377486 /nfs/dbraw/zinc/37/74/86/533377486.db2.gz PZZBZKWRHAPRJL-UHFFFAOYSA-N 0 0 346.399 2.180 40 0 EEABRN CC1CCN(c2ccc(C(=O)N(C)C3CCS(=O)CC3)cn2)CC1 ZINC000081833600 132818305 /nfs/dbraw/zinc/81/83/05/132818305.db2.gz IFKBXQKHYVTHTC-UHFFFAOYSA-N 0 0 349.500 2.301 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2oc1=O ZINC000004959211 135668141 /nfs/dbraw/zinc/66/81/41/135668141.db2.gz MDDGYTJYNSESIB-UHFFFAOYSA-N 0 0 344.392 2.273 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1c(F)cccc1F)C2 ZINC000019292656 296524287 /nfs/dbraw/zinc/52/42/87/296524287.db2.gz AEMLKCYPRQCXLJ-UHFFFAOYSA-N 0 0 346.381 2.207 40 0 EEABRN CC[C@@H](C(=O)N(CC)CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715106 286726725 /nfs/dbraw/zinc/72/67/25/286726725.db2.gz LXDJAWRKCKOGOQ-AWEZNQCLSA-N 0 0 330.425 2.239 40 0 EEABRN CC(C)CCNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000039543356 277355065 /nfs/dbraw/zinc/35/50/65/277355065.db2.gz ORSLQSMXOLHGJE-FZKQIMNGSA-N 0 0 337.464 2.286 40 0 EEABRN COc1ccc([C@H]2Cn3ccnc3CN2C(=O)c2ccnnc2)cc1 ZINC000257201068 277936395 /nfs/dbraw/zinc/93/63/95/277936395.db2.gz AGBJZXTZQIMINF-MRXNPFEDSA-N 0 0 335.367 2.079 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000081701286 280002984 /nfs/dbraw/zinc/00/29/84/280002984.db2.gz SUKZUPJVSUXYIT-MOPGFXCFSA-N 0 0 346.386 2.430 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000113967999 280735078 /nfs/dbraw/zinc/73/50/78/280735078.db2.gz UIMWIDVYVLMXFJ-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN CN(C)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cncnc2)s1 ZINC000257255879 289034316 /nfs/dbraw/zinc/03/43/16/289034316.db2.gz KJGLZIHUXTUZIU-GFCCVEGCSA-N 0 0 345.428 2.002 40 0 EEABRN CN([C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(C)(=O)=O ZINC000225171320 289777637 /nfs/dbraw/zinc/77/76/37/289777637.db2.gz GQNKSJGGHONJNN-OAHLLOKOSA-N 0 0 336.388 2.397 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)o1 ZINC000096485015 293223696 /nfs/dbraw/zinc/22/36/96/293223696.db2.gz OUKHDCIGEXTMNI-DZGCQCFKSA-N 0 0 331.347 2.132 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000408431183 295107474 /nfs/dbraw/zinc/10/74/74/295107474.db2.gz CUSXXADKNHMCPO-MELADBBJSA-N 0 0 327.446 2.174 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC000096080296 295514973 /nfs/dbraw/zinc/51/49/73/295514973.db2.gz DWOPWYZMXLYQAQ-UHFFFAOYSA-N 0 0 348.468 2.127 40 0 EEABRN O=C(NC1CC1)[C@H]1C[C@H]2CC[C@@H]1C[C@]21Nc2ccccc2C(=O)N1 ZINC000072327027 295606681 /nfs/dbraw/zinc/60/66/81/295606681.db2.gz NJWAOMUFCVVERZ-JFVXACQESA-N 0 0 325.412 2.253 40 0 EEABRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCN1C(=O)NC(C)(C)C1=O ZINC000078923116 297164547 /nfs/dbraw/zinc/16/45/47/297164547.db2.gz BLBQPMBRBUGGPC-IJEWVQPXSA-N 0 0 345.443 2.167 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000072237971 297355565 /nfs/dbraw/zinc/35/55/65/297355565.db2.gz DUAYAAILRDAVAI-DACLVMHWSA-N 0 0 330.428 2.089 40 0 EEABRN Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1 ZINC000096181791 302361643 /nfs/dbraw/zinc/36/16/43/302361643.db2.gz RUZVEOFHLQJOEG-ZIAGYGMSSA-N 0 0 349.387 2.128 40 0 EEABRN COc1ncc(CNC(=O)N2CCOCC3(CCC3)C2)cc1Cl ZINC000333685878 312182959 /nfs/dbraw/zinc/18/29/59/312182959.db2.gz BJDOKFKYXBNREW-UHFFFAOYSA-N 0 0 339.823 2.456 40 0 EEABRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ncc(OC)s2)C1 ZINC000333984573 312224247 /nfs/dbraw/zinc/22/42/47/312224247.db2.gz MCYYMWZKXXIFNQ-FRGLDACASA-N 0 0 331.463 2.353 40 0 EEABRN O=C1[C@H](Nc2ccn(CC(F)(F)F)n2)CCCN1CC(F)(F)F ZINC000097094995 323320048 /nfs/dbraw/zinc/32/00/48/323320048.db2.gz QHEMGIWHUBQBJA-MRVPVSSYSA-N 0 0 344.259 2.411 40 0 EEABRN Cc1c(CNC(=O)N2CCOC[C@H]2C[C@@H](C)O)oc2ccccc12 ZINC000097095128 323320323 /nfs/dbraw/zinc/32/03/23/323320323.db2.gz ODBBXLJPWVADLK-TZMCWYRMSA-N 0 0 332.400 2.423 40 0 EEABRN C[C@H](Cn1ccnc1S(C)(=O)=O)C(=O)c1ccc(F)c(F)c1 ZINC000097238325 323321491 /nfs/dbraw/zinc/32/14/91/323321491.db2.gz UBONCIPQWRDOFZ-SECBINFHSA-N 0 0 328.340 2.084 40 0 EEABRN O=C(NCCN1C(=O)c2ccccc2C1=O)c1c(F)ccc(F)c1F ZINC000132925233 323329617 /nfs/dbraw/zinc/32/96/17/323329617.db2.gz IKXVHBTXWLOGDR-UHFFFAOYSA-N 0 0 348.280 2.130 40 0 EEABRN Cc1ccc(Cl)c(S(=O)(=O)NCc2nnc(C(C)C)n2C)c1 ZINC000155096297 323332110 /nfs/dbraw/zinc/33/21/10/323332110.db2.gz HJXKXBXGMAPOPR-UHFFFAOYSA-N 0 0 342.852 2.379 40 0 EEABRN CCn1c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=N ZINC000334157836 465040348 /nfs/dbraw/zinc/04/03/48/465040348.db2.gz SZKCWFMTOKDWOY-UHFFFAOYSA-N 0 0 338.367 2.310 40 0 EEABRN COCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000298108547 465303500 /nfs/dbraw/zinc/30/35/00/465303500.db2.gz NZXPPNPGXSWJOQ-UHFFFAOYSA-N 0 0 340.423 2.087 40 0 EEABRN CC(C)NC(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000060169207 462540264 /nfs/dbraw/zinc/54/02/64/462540264.db2.gz UNEXRAUUGZOZLQ-UHFFFAOYSA-N 0 0 327.431 2.105 40 0 EEABRN O=C(c1ccco1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F ZINC000000269784 462552437 /nfs/dbraw/zinc/55/24/37/462552437.db2.gz DYEQXVWEBBWOJR-ZDUSSCGKSA-N 0 0 325.246 2.176 40 0 EEABRN O=C(NCCc1nnc2n1CCCCC2)NCc1ccc(F)cc1 ZINC000045607533 462601300 /nfs/dbraw/zinc/60/13/00/462601300.db2.gz GXYUEZQSJMADBC-UHFFFAOYSA-N 0 0 331.395 2.186 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C ZINC000074584759 462615448 /nfs/dbraw/zinc/61/54/48/462615448.db2.gz MBRHPNZXTLUHQR-UHFFFAOYSA-N 0 0 346.408 2.459 40 0 EEABRN CCCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1CCOC ZINC000004878204 462639450 /nfs/dbraw/zinc/63/94/50/462639450.db2.gz JCNXLVXLFDSUAI-CYBMUJFWSA-N 0 0 340.493 2.370 40 0 EEABRN COCCNc1nc(C(C)C)nc2c1nnn2Cc1ccccc1 ZINC000005000222 462644136 /nfs/dbraw/zinc/64/41/36/462644136.db2.gz ATZPWMYMFOVYRE-UHFFFAOYSA-N 0 0 326.404 2.451 40 0 EEABRN COc1cccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000005251581 462652707 /nfs/dbraw/zinc/65/27/07/462652707.db2.gz MDZQJABOFCSPDJ-UHFFFAOYSA-N 0 0 327.384 2.016 40 0 EEABRN O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005406229 462658591 /nfs/dbraw/zinc/65/85/91/462658591.db2.gz WQRJLBVTPNKMQK-UHFFFAOYSA-N 0 0 328.280 2.203 40 0 EEABRN CO[C@@]1(C)C[C@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C1(C)C ZINC000074975880 462661187 /nfs/dbraw/zinc/66/11/87/462661187.db2.gz USMRMFMAZIRKBK-HOCLYGCPSA-N 0 0 325.430 2.371 40 0 EEABRN O=C(c1cnns1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000089369833 462671717 /nfs/dbraw/zinc/67/17/17/462671717.db2.gz KTISLQOWNWBQIH-NSHDSACASA-N 0 0 341.339 2.353 40 0 EEABRN O=C(Nc1ccccn1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000006475617 462686525 /nfs/dbraw/zinc/68/65/25/462686525.db2.gz FLJDXERWCXLISZ-UHFFFAOYSA-N 0 0 325.368 2.415 40 0 EEABRN O=C(Nc1ncccc1O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000006444522 462686927 /nfs/dbraw/zinc/68/69/27/462686927.db2.gz SPBYNNRZAZJIED-UHFFFAOYSA-N 0 0 341.367 2.121 40 0 EEABRN Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 ZINC000006451718 462687020 /nfs/dbraw/zinc/68/70/20/462687020.db2.gz LAVIUASXOITQKM-GFCCVEGCSA-N 0 0 336.388 2.440 40 0 EEABRN O=C(Nc1nc2c(s1)CN(C(=O)c1ccco1)CC2)[C@H]1CCCO1 ZINC000075157894 462687771 /nfs/dbraw/zinc/68/77/71/462687771.db2.gz AVTKYUMGWRNFMN-LLVKDONJSA-N 0 0 347.396 2.052 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000046568421 462689730 /nfs/dbraw/zinc/68/97/30/462689730.db2.gz DMQNWPAFASSGPE-UHFFFAOYSA-N 0 0 333.409 2.303 40 0 EEABRN CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 ZINC000006636400 462693086 /nfs/dbraw/zinc/69/30/86/462693086.db2.gz OZIRKWYNYAKQEW-AWEZNQCLSA-N 0 0 326.462 2.310 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000006845771 462708411 /nfs/dbraw/zinc/70/84/11/462708411.db2.gz GWMGTMTWNQCFSU-HNNXBMFYSA-N 0 0 346.452 2.320 40 0 EEABRN CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(F)cc3F)ccc2c1=O ZINC000047196016 462753846 /nfs/dbraw/zinc/75/38/46/462753846.db2.gz AIPXHWMUFRRMQR-UHFFFAOYSA-N 0 0 345.305 2.240 40 0 EEABRN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cnc2N)C1(C)C ZINC000154634654 462790786 /nfs/dbraw/zinc/79/07/86/462790786.db2.gz FNMWBONYCVTZNC-NEPJUHHUSA-N 0 0 347.868 2.141 40 0 EEABRN CCN1C[C@@H](C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1=O ZINC000131876040 462831793 /nfs/dbraw/zinc/83/17/93/462831793.db2.gz LHCZZFSPRDHVME-CABZTGNLSA-N 0 0 345.226 2.011 40 0 EEABRN COCCCNc1c2c(nc3cc(-c4nccn4C)nn31)CCCC2 ZINC000012087652 462843587 /nfs/dbraw/zinc/84/35/87/462843587.db2.gz SIJXLBSHIMOSPO-UHFFFAOYSA-N 0 0 340.431 2.457 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(O)(c2ccccn2)CC1 ZINC000012222000 462846847 /nfs/dbraw/zinc/84/68/47/462846847.db2.gz WSACHKCPNDTRPE-HZPDHXFCSA-N 0 0 331.460 2.155 40 0 EEABRN C[C@H](C(=O)NCC1CCCCC1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181395 462847401 /nfs/dbraw/zinc/84/74/01/462847401.db2.gz XOVUXEOHTDVJLC-GFCCVEGCSA-N 0 0 344.415 2.343 40 0 EEABRN C[C@@H](C(=O)NCC1CCCCC1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181391 462847464 /nfs/dbraw/zinc/84/74/64/462847464.db2.gz XOVUXEOHTDVJLC-LBPRGKRZSA-N 0 0 344.415 2.343 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@H](C)CCC[C@H]3C)n2)o1 ZINC000012182601 462847594 /nfs/dbraw/zinc/84/75/94/462847594.db2.gz IZVIGVCFWPZJET-VXGBXAGGSA-N 0 0 344.415 2.183 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012239454 462848686 /nfs/dbraw/zinc/84/86/86/462848686.db2.gz RNUXUTGZWKRHPD-AAEUAGOBSA-N 0 0 339.399 2.001 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012239482 462848909 /nfs/dbraw/zinc/84/89/09/462848909.db2.gz KRQFPQPVJSBEHG-GWCFXTLKSA-N 0 0 328.372 2.199 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000012337890 462850177 /nfs/dbraw/zinc/85/01/77/462850177.db2.gz ARBXJAWJVCBWIP-CQSZACIVSA-N 0 0 327.384 2.058 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)s1 ZINC000012337209 462850313 /nfs/dbraw/zinc/85/03/13/462850313.db2.gz GYVICQCSNQWEAL-UHFFFAOYSA-N 0 0 332.429 2.229 40 0 EEABRN COc1cccc(C(=O)N2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000012365040 462851457 /nfs/dbraw/zinc/85/14/57/462851457.db2.gz OBPHQKLOESAPSA-ZDUSSCGKSA-N 0 0 337.383 2.381 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000048242754 462878947 /nfs/dbraw/zinc/87/89/47/462878947.db2.gz PAYKCJYHXKQJDU-JTQLQIEISA-N 0 0 326.356 2.072 40 0 EEABRN CC[C@@H](C(=O)NC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712943 462900921 /nfs/dbraw/zinc/90/09/21/462900921.db2.gz RWHIFJSJHPJICA-AWEZNQCLSA-N 0 0 326.462 2.454 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000155779472 462942755 /nfs/dbraw/zinc/94/27/55/462942755.db2.gz UHEJGMXBKQGPMG-BPQIPLTHSA-N 0 0 344.455 2.248 40 0 EEABRN Cc1nc([C@@H](NC(=O)c2cnsn2)c2ccc(Cl)cc2)no1 ZINC000092527384 462960455 /nfs/dbraw/zinc/96/04/55/462960455.db2.gz RGKYKVQYEDYMGX-NSHDSACASA-N 0 0 335.776 2.402 40 0 EEABRN OC[C@H]1CCCN1Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000050116614 462989566 /nfs/dbraw/zinc/98/95/66/462989566.db2.gz QMDRKGSGQLFZLT-GFCCVEGCSA-N 0 0 338.205 2.456 40 0 EEABRN O=C(CCn1cccn1)N1CCO[C@H](c2cc3ccccc3cn2)C1 ZINC000019399721 463017190 /nfs/dbraw/zinc/01/71/90/463017190.db2.gz IXOVRRFRGWALEO-SFHVURJKSA-N 0 0 336.395 2.422 40 0 EEABRN O[C@H](CN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000093273114 463022173 /nfs/dbraw/zinc/02/21/73/463022173.db2.gz SMYVYJPWNYBHSU-LJQANCHMSA-N 0 0 336.439 2.414 40 0 EEABRN COCCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020369123 463025786 /nfs/dbraw/zinc/02/57/86/463025786.db2.gz AFETVNVECLBIKR-UHFFFAOYSA-N 0 0 338.835 2.345 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000134359916 463030013 /nfs/dbraw/zinc/03/00/13/463030013.db2.gz UMVUGJMZTLBGHQ-WBVHZDCISA-N 0 0 345.443 2.213 40 0 EEABRN CC(=O)Nc1ccc(OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000051386896 463034754 /nfs/dbraw/zinc/03/47/54/463034754.db2.gz IKMRZDVPMLCXJJ-CZUORRHYSA-N 0 0 334.397 2.004 40 0 EEABRN C[S@](=O)c1ccc(CN2CCN(CC3CCCC3)C(=O)C2)cc1 ZINC000093772052 463047071 /nfs/dbraw/zinc/04/70/71/463047071.db2.gz LNGKZCRAMCZWAV-HSZRJFAPSA-N 0 0 334.485 2.258 40 0 EEABRN COc1cccc(NCc2nc([C@H](N)c3cccc(OC)c3)n[nH]2)c1 ZINC000095533553 463107817 /nfs/dbraw/zinc/10/78/17/463107817.db2.gz ODTVUUCYTCKZKE-QGZVFWFLSA-N 0 0 339.399 2.482 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000025318441 463118532 /nfs/dbraw/zinc/11/85/32/463118532.db2.gz FKZASCPASYZYAZ-LLVKDONJSA-N 0 0 337.228 2.356 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039068 463143765 /nfs/dbraw/zinc/14/37/65/463143765.db2.gz VHGLRMWPVAHQRJ-AEFFLSMTSA-N 0 0 333.384 2.073 40 0 EEABRN O=C(C1=CCCC1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096040962 463145544 /nfs/dbraw/zinc/14/55/44/463145544.db2.gz DDYKNDQTQQEGBS-PMPSAXMXSA-N 0 0 332.375 2.468 40 0 EEABRN c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)c1 ZINC000096042163 463146215 /nfs/dbraw/zinc/14/62/15/463146215.db2.gz URSOFHVDPNJFNG-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN CN(Cc1cn2c(n1)CN(C(=O)C1CCC1)CC2)Cc1ccco1 ZINC000096044214 463148928 /nfs/dbraw/zinc/14/89/28/463148928.db2.gz ACZIHQWPJNVGDA-UHFFFAOYSA-N 0 0 328.416 2.250 40 0 EEABRN Cc1noc([C@@H]2C[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096045792 463150226 /nfs/dbraw/zinc/15/02/26/463150226.db2.gz ZVUWGPVAKFDMKS-VBNZEHGJSA-N 0 0 329.356 2.069 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049112 463153367 /nfs/dbraw/zinc/15/33/67/463153367.db2.gz AYXWRBLSZPEFMI-GOSISDBHSA-N 0 0 330.384 2.380 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC000078879416 463158581 /nfs/dbraw/zinc/15/85/81/463158581.db2.gz CXOFFWPNFNVOCK-GFCCVEGCSA-N 0 0 348.399 2.197 40 0 EEABRN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCO[C@@H](CO)C1 ZINC000078897973 463162643 /nfs/dbraw/zinc/16/26/43/463162643.db2.gz SRBYBHOPCXLOKQ-MRXNPFEDSA-N 0 0 336.407 2.040 40 0 EEABRN COc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)c1 ZINC000096063901 463162659 /nfs/dbraw/zinc/16/26/59/463162659.db2.gz CHAMCTZAXNZPRC-DLBZAZTESA-N 0 0 337.379 2.110 40 0 EEABRN Cc1occc1C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096069574 463166163 /nfs/dbraw/zinc/16/61/63/463166163.db2.gz JLAKLAMALUOAPE-MRXNPFEDSA-N 0 0 339.395 2.262 40 0 EEABRN COc1ccc(OC)c(CN(CCO)C(=O)c2cccc(C)n2)c1 ZINC000078929638 463167744 /nfs/dbraw/zinc/16/77/44/463167744.db2.gz QBLSAIXZHLBBNW-UHFFFAOYSA-N 0 0 330.384 2.042 40 0 EEABRN CCc1nc([C@H](C)NC(=O)NC2CCN(C(=O)OC)CC2)cs1 ZINC000078925504 463167810 /nfs/dbraw/zinc/16/78/10/463167810.db2.gz FUOUKFMQUWMCSI-JTQLQIEISA-N 0 0 340.449 2.297 40 0 EEABRN Fc1cnc(N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096082905 463170913 /nfs/dbraw/zinc/17/09/13/463170913.db2.gz YFFVUUAVXFXBKI-HYVNUMGLSA-N 0 0 344.390 2.211 40 0 EEABRN O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccccc1F ZINC000096099022 463171770 /nfs/dbraw/zinc/17/17/70/463171770.db2.gz CZQIXVPPYPTJON-UHFFFAOYSA-N 0 0 337.298 2.020 40 0 EEABRN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)c(C(F)(F)F)c1 ZINC000078979603 463173926 /nfs/dbraw/zinc/17/39/26/463173926.db2.gz MNEXWQAOCXLMGD-ZDUSSCGKSA-N 0 0 344.333 2.387 40 0 EEABRN O=C(CCCc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000078986921 463175438 /nfs/dbraw/zinc/17/54/38/463175438.db2.gz VAXKBSIJNDBPEN-CYBMUJFWSA-N 0 0 328.334 2.289 40 0 EEABRN CC(C)C(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096113152 463180265 /nfs/dbraw/zinc/18/02/65/463180265.db2.gz JGHASOGWPANYTB-GFCCVEGCSA-N 0 0 332.322 2.363 40 0 biogenic,in-vitro EEABRN COc1c(C(=O)NCc2ccc(F)cc2)nnn1Cc1ccccc1 ZINC000096183501 463195311 /nfs/dbraw/zinc/19/53/11/463195311.db2.gz VOMCIPHOJNZOFE-UHFFFAOYSA-N 0 0 340.358 2.404 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC000096188158 463200579 /nfs/dbraw/zinc/20/05/79/463200579.db2.gz KMBDJQQENFSZQA-INIZCTEOSA-N 0 0 340.427 2.253 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000079310140 463205298 /nfs/dbraw/zinc/20/52/98/463205298.db2.gz CEOYURZHLGUROC-QGZVFWFLSA-N 0 0 342.370 2.495 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1ccnc1 ZINC000079351779 463208226 /nfs/dbraw/zinc/20/82/26/463208226.db2.gz JFLYSOSYYFAMHM-JSGCOSHPSA-N 0 0 344.390 2.437 40 0 EEABRN COC[C@H]1Cn2cncc2CN(C(=O)c2ccc3ncccc3c2)C1 ZINC000096217427 463214908 /nfs/dbraw/zinc/21/49/08/463214908.db2.gz GPOZDKAMAWYVEH-CQSZACIVSA-N 0 0 336.395 2.350 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222509 463219018 /nfs/dbraw/zinc/21/90/18/463219018.db2.gz RSILPRNWDAOVQI-RDJZCZTQSA-N 0 0 330.363 2.218 40 0 EEABRN CC(C)NC(=O)N1CCC2(CCn3c(-c4cnn(C)c4)cnc32)CC1 ZINC000096243520 463225574 /nfs/dbraw/zinc/22/55/74/463225574.db2.gz BUKOANZWBUMYDY-UHFFFAOYSA-N 0 0 342.447 2.139 40 0 EEABRN COCC(=O)N1CCc2nc(-c3ccc(F)cc3)nc(C)c2CC1 ZINC000096254752 463228584 /nfs/dbraw/zinc/22/85/84/463228584.db2.gz JZCWGOOYQNIDHH-UHFFFAOYSA-N 0 0 329.375 2.165 40 0 EEABRN CCc1ncnc2c1CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096255034 463228894 /nfs/dbraw/zinc/22/88/94/463228894.db2.gz HOISSJYLFLQADZ-UHFFFAOYSA-N 0 0 325.412 2.218 40 0 EEABRN COc1ccc2c(c1)CCCN(C(=O)CCCNC(=O)C1CC1)C2 ZINC000096403943 463238057 /nfs/dbraw/zinc/23/80/57/463238057.db2.gz HSBDBLAFZLOEGF-UHFFFAOYSA-N 0 0 330.428 2.276 40 0 EEABRN CCN(CC)C(=O)[C@@H](Nc1cnn(C)c(=O)c1Cl)c1ccccc1 ZINC000096404018 463238578 /nfs/dbraw/zinc/23/85/78/463238578.db2.gz BCDCNKZFCGDQHE-HNNXBMFYSA-N 0 0 348.834 2.455 40 0 EEABRN COc1ccc(Cc2noc(-c3ccn(C)c(=O)c3)n2)cc1OC ZINC000096405302 463239310 /nfs/dbraw/zinc/23/93/10/463239310.db2.gz JZBIBGITCDUUHE-UHFFFAOYSA-N 0 0 327.340 2.043 40 0 EEABRN O=C(c1cn(Cc2cccs2)nn1)N1CCOc2ccccc2C1 ZINC000079664392 463239983 /nfs/dbraw/zinc/23/99/83/463239983.db2.gz SFVDCNJOTOFJPH-UHFFFAOYSA-N 0 0 340.408 2.423 40 0 EEABRN Cc1cc(C)c(O)c(C(=O)NCCc2nc(-c3ccco3)n[nH]2)c1 ZINC000096410488 463244142 /nfs/dbraw/zinc/24/41/42/463244142.db2.gz PSFPXASBIUEEPH-UHFFFAOYSA-N 0 0 326.356 2.360 40 0 EEABRN CCc1nc(CN2CCN(Cc3occc3C(=O)OC)CC2)cs1 ZINC000096414832 463247462 /nfs/dbraw/zinc/24/74/62/463247462.db2.gz SWYFNOMQLOUBHP-UHFFFAOYSA-N 0 0 349.456 2.403 40 0 EEABRN CCCC(O)(CCC)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000096416114 463248507 /nfs/dbraw/zinc/24/85/07/463248507.db2.gz NEBRFUNRZDOSCJ-UHFFFAOYSA-N 0 0 328.359 2.351 40 0 EEABRN O=C(Oc1ccc(-n2cccn2)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000096418402 463250502 /nfs/dbraw/zinc/25/05/02/463250502.db2.gz WRTFYVFDHOMSFK-OAHLLOKOSA-N 0 0 339.395 2.426 40 0 EEABRN C[C@@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1csc(C2CC2)n1 ZINC000096421570 463252942 /nfs/dbraw/zinc/25/29/42/463252942.db2.gz MRLYQQQLRDKXSV-HWPZZCPQSA-N 0 0 349.460 2.022 40 0 EEABRN COc1cc(CCNC(=O)NCC[S@](=O)C(C)(C)C)ccc1C ZINC000096421587 463253051 /nfs/dbraw/zinc/25/30/51/463253051.db2.gz WCPYTCMYBFLFDF-HSZRJFAPSA-N 0 0 340.489 2.393 40 0 EEABRN Cc1occc1CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000096425149 463254767 /nfs/dbraw/zinc/25/47/67/463254767.db2.gz NONDROMYQWMXHY-KRWDZBQOSA-N 0 0 332.375 2.417 40 0 EEABRN Cc1cc(-c2cccc(F)c2)nnc1NC[C@@H]1CCS(=O)(=O)C1 ZINC000096427317 463257120 /nfs/dbraw/zinc/25/71/20/463257120.db2.gz GYXRGJAZHBFVAZ-LBPRGKRZSA-N 0 0 335.404 2.438 40 0 EEABRN C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096428327 463257819 /nfs/dbraw/zinc/25/78/19/463257819.db2.gz RCMDCQOLFPZENI-BLLLJJGKSA-N 0 0 336.388 2.371 40 0 EEABRN CO[C@H](CNC(=O)CNC(=O)C(C)(C)C)c1cccc(Cl)c1 ZINC000096431907 463261363 /nfs/dbraw/zinc/26/13/63/463261363.db2.gz MYRDPSKPEZPUEL-CYBMUJFWSA-N 0 0 326.824 2.306 40 0 EEABRN Cc1nnc2ccc(C(=O)NCCNc3ccc4ccccc4n3)cn12 ZINC000096436748 463265080 /nfs/dbraw/zinc/26/50/80/463265080.db2.gz IWXYRVPIHIQGHY-UHFFFAOYSA-N 0 0 346.394 2.428 40 0 EEABRN C[C@]1(C(=O)OCCn2cccn2)CCCN(C(=O)c2ccccc2)C1 ZINC000096441863 463267459 /nfs/dbraw/zinc/26/74/59/463267459.db2.gz LQNDLAPEWUGHOO-IBGZPJMESA-N 0 0 341.411 2.369 40 0 EEABRN Cc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000096443156 463268482 /nfs/dbraw/zinc/26/84/82/463268482.db2.gz CYILARCODLXTEY-YOEHRIQHSA-N 0 0 330.428 2.280 40 0 EEABRN O=C(CC1CCOCC1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096443712 463268804 /nfs/dbraw/zinc/26/88/04/463268804.db2.gz WJFHWCOLZJKPBB-UHFFFAOYSA-N 0 0 340.427 2.095 40 0 EEABRN O=C(NC[C@]1(O)CCc2ccccc21)c1cncc(Br)c1 ZINC000159084876 463269034 /nfs/dbraw/zinc/26/90/34/463269034.db2.gz YDIMWSRLTWUQMP-MRXNPFEDSA-N 0 0 347.212 2.408 40 0 EEABRN C[C@H](NC(=O)CNCC(F)(F)F)c1ccc(-c2cncnc2)cc1 ZINC000096443820 463269942 /nfs/dbraw/zinc/26/99/42/463269942.db2.gz KYETXTVLEFQVGA-NSHDSACASA-N 0 0 338.333 2.473 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@]3(O)CCSC3)cc2)n1 ZINC000096446895 463270604 /nfs/dbraw/zinc/27/06/04/463270604.db2.gz LFWXYDSRYMLIDI-QGZVFWFLSA-N 0 0 331.441 2.087 40 0 EEABRN C[C@H]1CN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000096447125 463271238 /nfs/dbraw/zinc/27/12/38/463271238.db2.gz HVFPVZSSAVWGPA-STQMWFEESA-N 0 0 337.489 2.090 40 0 EEABRN Cc1ccccc1NC(=O)CCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000096456391 463275323 /nfs/dbraw/zinc/27/53/23/463275323.db2.gz URNVAIGENWLQEZ-HNNXBMFYSA-N 0 0 346.500 2.433 40 0 EEABRN CSCC[C@@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000096455091 463275748 /nfs/dbraw/zinc/27/57/48/463275748.db2.gz AOPWLBJDTWOZME-MNOVXSKESA-N 0 0 327.416 2.406 40 0 EEABRN CCc1nc(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)no1 ZINC000096461388 463276951 /nfs/dbraw/zinc/27/69/51/463276951.db2.gz KSSSHDZSTCUOFW-UHFFFAOYSA-N 0 0 344.415 2.089 40 0 EEABRN O=C(Cn1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cn1)NC1CCCC1 ZINC000096462429 463277532 /nfs/dbraw/zinc/27/75/32/463277532.db2.gz ARAWSZYULNSBJL-ZIAGYGMSSA-N 0 0 345.447 2.206 40 0 EEABRN O=S(=O)(CC[C@@H]1CCCO1)NCc1ccccc1N1CCCC1 ZINC000096472482 463279195 /nfs/dbraw/zinc/27/91/95/463279195.db2.gz PPOVPKQFFSRAJS-INIZCTEOSA-N 0 0 338.473 2.275 40 0 EEABRN Cc1cc(C)n(-c2ccc(NCCCS(C)(=O)=O)cc2F)n1 ZINC000096476374 463280331 /nfs/dbraw/zinc/28/03/31/463280331.db2.gz LORYLRNRLIBXGZ-UHFFFAOYSA-N 0 0 325.409 2.475 40 0 EEABRN O=C(NCCc1ccncc1)NCCc1ccc(-n2cccn2)cc1 ZINC000096475524 463280435 /nfs/dbraw/zinc/28/04/35/463280435.db2.gz CBOBGMDZJHAESE-UHFFFAOYSA-N 0 0 335.411 2.352 40 0 EEABRN CCc1ccc(NC(=O)NCC2CCS(=O)(=O)CC2)cc1F ZINC000096485110 463283424 /nfs/dbraw/zinc/28/34/24/463283424.db2.gz SQKQLDKFABUSCC-UHFFFAOYSA-N 0 0 328.409 2.334 40 0 EEABRN Cc1cc(CNC(=O)COc2ccccc2Br)no1 ZINC000096486426 463283918 /nfs/dbraw/zinc/28/39/18/463283918.db2.gz XJWLMNBYWZFQJO-UHFFFAOYSA-N 0 0 325.162 2.441 40 0 EEABRN C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000096485861 463283943 /nfs/dbraw/zinc/28/39/43/463283943.db2.gz VNNWVKPUVLPSAK-QCZZGDTMSA-N 0 0 330.787 2.379 40 0 EEABRN CC[C@H](CNC(=O)[C@H]1COCCN1C(C)=O)c1ccc(Cl)cc1 ZINC000096486980 463284583 /nfs/dbraw/zinc/28/45/83/463284583.db2.gz KFRGAWHYUBRMAF-CZUORRHYSA-N 0 0 338.835 2.197 40 0 EEABRN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000096489095 463285157 /nfs/dbraw/zinc/28/51/57/463285157.db2.gz CCWGTNZJBKLERY-UHFFFAOYSA-N 0 0 344.436 2.231 40 0 EEABRN CC(C)n1nnnc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491329 463287153 /nfs/dbraw/zinc/28/71/53/463287153.db2.gz DVEFTNIQKDTFEB-CYBMUJFWSA-N 0 0 328.420 2.232 40 0 EEABRN Cc1cnn(CCCNC(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000096493992 463287956 /nfs/dbraw/zinc/28/79/56/463287956.db2.gz LCQUGXLFIABURU-GOSISDBHSA-N 0 0 342.443 2.235 40 0 EEABRN COCCOc1cc(Cn2cnc3cc(F)ccc3c2=O)ccn1 ZINC000096501457 463291146 /nfs/dbraw/zinc/29/11/46/463291146.db2.gz IXPODZWDFWCTCD-UHFFFAOYSA-N 0 0 329.331 2.004 40 0 EEABRN Cn1cc(CNC(=O)N[C@H]2CCCC[C@H]2O)c(-c2ccccc2)n1 ZINC000096501414 463291504 /nfs/dbraw/zinc/29/15/04/463291504.db2.gz CBOYRPNSPKXRPK-JKSUJKDBSA-N 0 0 328.416 2.190 40 0 EEABRN Cc1ncsc1CNC(=O)N1CCN([C@H](C)c2ccccn2)CC1 ZINC000096503149 463292440 /nfs/dbraw/zinc/29/24/40/463292440.db2.gz GIBQZBNHMZRZLJ-CQSZACIVSA-N 0 0 345.472 2.435 40 0 EEABRN O=S(=O)(NCCCF)c1cc(Br)cc2c1OCC2 ZINC000096502862 463292879 /nfs/dbraw/zinc/29/28/79/463292879.db2.gz QXTVSUPSFSHAMN-UHFFFAOYSA-N 0 0 338.198 2.022 40 0 EEABRN O=C(NCCc1nc(C(F)(F)F)cs1)NC1CCC(O)CC1 ZINC000080657494 463342190 /nfs/dbraw/zinc/34/21/90/463342190.db2.gz RIZWQEZNGJUWCL-UHFFFAOYSA-N 0 0 337.367 2.307 40 0 EEABRN CCC[C@@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21 ZINC000097758830 463362615 /nfs/dbraw/zinc/36/26/15/463362615.db2.gz VKIBZLGSWZHFJD-IUODEOHRSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1(C)C ZINC000081067509 463389196 /nfs/dbraw/zinc/38/91/96/463389196.db2.gz JXKRHTZTNJLOSX-GUYCJALGSA-N 0 0 333.388 2.457 40 0 EEABRN CN(Cc1nc(-c2ccoc2)no1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097685 463395096 /nfs/dbraw/zinc/39/50/96/463395096.db2.gz ZKJNXXNTAZNUCU-STQMWFEESA-N 0 0 339.417 2.117 40 0 EEABRN O=C1C[C@]23C=CCN4CC[C@@H]5c6cc7c(cc6N1[C@@]5(CC2)[C@H]43)OCO7 ZINC000035459289 463432680 /nfs/dbraw/zinc/43/26/80/463432680.db2.gz DTBOGXTYLFTPCH-NWTFUFRBSA-N 0 0 336.391 2.412 40 0 biogenic,in-vitro EEABRN CCc1ccccc1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000039771243 463453321 /nfs/dbraw/zinc/45/33/21/463453321.db2.gz SPUNSYXKQDBIJK-UHFFFAOYSA-N 0 0 347.440 2.409 40 0 EEABRN Cc1nc2n(n1)C[C@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2 ZINC000040386785 463454880 /nfs/dbraw/zinc/45/48/80/463454880.db2.gz JHTYEBMCICLQBZ-JTQLQIEISA-N 0 0 333.779 2.145 40 0 EEABRN CC(=O)N1CCN(c2ncc([C@H](O)c3ccccc3)cc2C)CC1 ZINC000072222693 463483710 /nfs/dbraw/zinc/48/37/10/463483710.db2.gz BEOSVKJQCUIFAQ-GOSISDBHSA-N 0 0 325.412 2.140 40 0 EEABRN C[S@](=O)c1ccc(NC(=O)N2CCCN(CC(F)F)CC2)cc1 ZINC000162601674 463524180 /nfs/dbraw/zinc/52/41/80/463524180.db2.gz LHNDLZWAGCJEED-HSZRJFAPSA-N 0 0 345.415 2.229 40 0 EEABRN Cc1ccccc1N1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000043716775 463654262 /nfs/dbraw/zinc/65/42/62/463654262.db2.gz CDNVWORVFRUXEQ-UHFFFAOYSA-N 0 0 338.411 2.448 40 0 EEABRN NC(=O)[C@]1(CCCc2cnccn2)CCN1Cc1ccccc1F ZINC000257279467 463759776 /nfs/dbraw/zinc/75/97/76/463759776.db2.gz OGUDSGWSPYGCPG-SFHVURJKSA-N 0 0 328.391 2.068 40 0 EEABRN CCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257280448 463760294 /nfs/dbraw/zinc/76/02/94/463760294.db2.gz OKWXZJTWPJUGQU-ZDUSSCGKSA-N 0 0 334.445 2.104 40 0 EEABRN O=C(c1nccc2ccccc21)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257282912 463761075 /nfs/dbraw/zinc/76/10/75/463761075.db2.gz OVWCZXAQYHCNIX-KRWDZBQOSA-N 0 0 348.406 2.499 40 0 EEABRN CCc1[nH]nc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C(C)=O)c1C ZINC000257286587 463763354 /nfs/dbraw/zinc/76/33/54/463763354.db2.gz PMDNMAFGAGUBQR-YJBOKZPZSA-N 0 0 332.448 2.286 40 0 EEABRN Nc1cccc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257293832 463765880 /nfs/dbraw/zinc/76/58/80/463765880.db2.gz QRIZAUBONSUFBD-INIZCTEOSA-N 0 0 329.375 2.336 40 0 EEABRN Cc1cc(CC[C@@H]2CN(C(=O)Cc3cccs3)CCO2)ncn1 ZINC000257292835 463765959 /nfs/dbraw/zinc/76/59/59/463765959.db2.gz QNDMCYQWGVMHIQ-OAHLLOKOSA-N 0 0 331.441 2.249 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCc2cc(OC)no2)nc(C)n1 ZINC000257303799 463770411 /nfs/dbraw/zinc/77/04/11/463770411.db2.gz SITMDECSQLUQGM-AWEZNQCLSA-N 0 0 345.403 2.120 40 0 EEABRN O=C(COc1ccccc1F)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257307411 463772393 /nfs/dbraw/zinc/77/23/93/463772393.db2.gz SYNOXLKWVFKCLD-GFCCVEGCSA-N 0 0 331.347 2.106 40 0 EEABRN CC(C)(C)C(=O)N1CCC(Cc2nccnc2N2CCOC2=O)CC1 ZINC000257312306 463773891 /nfs/dbraw/zinc/77/38/91/463773891.db2.gz UNHZFYYDWKWQGM-UHFFFAOYSA-N 0 0 346.431 2.260 40 0 EEABRN Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000194654221 463904305 /nfs/dbraw/zinc/90/43/05/463904305.db2.gz HHOWTCAVBSGHHA-ZDUSSCGKSA-N 0 0 347.369 2.057 40 0 EEABRN O=C1NCC[C@@H]1Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000179050142 464045482 /nfs/dbraw/zinc/04/54/82/464045482.db2.gz QEQYECCWNDRLAR-LBPRGKRZSA-N 0 0 349.188 2.332 40 0 EEABRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000195563111 464077469 /nfs/dbraw/zinc/07/74/69/464077469.db2.gz YVDAFHKUYLQJIN-QZTJIDSGSA-N 0 0 341.455 2.491 40 0 EEABRN Cn1nc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)ccc1=O ZINC000208039387 464100320 /nfs/dbraw/zinc/10/03/20/464100320.db2.gz ULIOJBAPLMJSQJ-OAHLLOKOSA-N 0 0 329.425 2.101 40 0 EEABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCCOC ZINC000222906472 464134859 /nfs/dbraw/zinc/13/48/59/464134859.db2.gz ILJSEUFUDFTBDE-AWEZNQCLSA-N 0 0 338.423 2.496 40 0 EEABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)[nH]1 ZINC000223605127 464145591 /nfs/dbraw/zinc/14/55/91/464145591.db2.gz IJDKGQSMBZUOOF-CVEARBPZSA-N 0 0 330.457 2.381 40 0 EEABRN COc1ncccc1NC(=S)NCc1ccc2c(c1)OCCO2 ZINC000224049759 464148165 /nfs/dbraw/zinc/14/81/65/464148165.db2.gz JSXDNUMUQZAZOE-UHFFFAOYSA-N 0 0 331.397 2.348 40 0 EEABRN CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000225211688 464153863 /nfs/dbraw/zinc/15/38/63/464153863.db2.gz SXMUPOKLRXTWSU-ZFWWWQNUSA-N 0 0 326.462 2.392 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000225230591 464153971 /nfs/dbraw/zinc/15/39/71/464153971.db2.gz DWVXHYLAQYYTRV-UHFFFAOYSA-N 0 0 342.461 2.110 40 0 EEABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccnc1 ZINC000225429677 464159389 /nfs/dbraw/zinc/15/93/89/464159389.db2.gz JZQCRIHVRNXNID-UHFFFAOYSA-N 0 0 349.412 2.029 40 0 EEABRN Cc1ccc(O[C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)nn1 ZINC000225464043 464162252 /nfs/dbraw/zinc/16/22/52/464162252.db2.gz LJCHXSASLIZJBP-LBPRGKRZSA-N 0 0 348.790 2.223 40 0 EEABRN Brc1ccc(CNc2cc(N3CCOCC3)ncn2)o1 ZINC000225489138 464165237 /nfs/dbraw/zinc/16/52/37/464165237.db2.gz HIDFHEBAJCOVMO-UHFFFAOYSA-N 0 0 339.193 2.281 40 0 EEABRN CC[C@H](O)CCNC(=O)CNc1ccc(Br)cc1C ZINC000225562632 464172376 /nfs/dbraw/zinc/17/23/76/464172376.db2.gz CGKQFOLSTHCQNP-LBPRGKRZSA-N 0 0 329.238 2.447 40 0 EEABRN CC[C@H](C(=O)NCCn1c(C)cc(OC)cc1=O)c1ccccc1 ZINC000225614384 464175113 /nfs/dbraw/zinc/17/51/13/464175113.db2.gz JHEAYBYTBWNUCX-KRWDZBQOSA-N 0 0 328.412 2.475 40 0 EEABRN CCO[C@H]1C[C@](O)(CNC(=O)Cc2c(F)cccc2F)C1(C)C ZINC000225613155 464175198 /nfs/dbraw/zinc/17/51/98/464175198.db2.gz NPKGDTAHCLNJSG-YOEHRIQHSA-N 0 0 327.371 2.190 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000225672483 464179588 /nfs/dbraw/zinc/17/95/88/464179588.db2.gz DUTLNSOLNMPJRJ-UHFFFAOYSA-N 0 0 326.443 2.021 40 0 EEABRN CC(C)(O)CN(C1CC1)S(=O)(=O)c1ccccc1Br ZINC000188048409 464188001 /nfs/dbraw/zinc/18/80/01/464188001.db2.gz YJADVTRPSHBAMT-UHFFFAOYSA-N 0 0 348.262 2.373 40 0 EEABRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@](C)(CO)C1CCCCC1 ZINC000189114897 464436735 /nfs/dbraw/zinc/43/67/35/464436735.db2.gz QABDUIDQJFYBDU-GOSISDBHSA-N 0 0 346.431 2.445 40 0 EEABRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000189114872 464436777 /nfs/dbraw/zinc/43/67/77/464436777.db2.gz QABDUIDQJFYBDU-SFHVURJKSA-N 0 0 346.431 2.445 40 0 EEABRN CC(C)c1noc(OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000240757090 464448397 /nfs/dbraw/zinc/44/83/97/464448397.db2.gz HWFJXTGIMJGGSV-CQSZACIVSA-N 0 0 349.362 2.311 40 0 EEABRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccncc1CC ZINC000265320973 464517254 /nfs/dbraw/zinc/51/72/54/464517254.db2.gz SBPVHIKZTVQKIZ-HNNXBMFYSA-N 0 0 339.461 2.177 40 0 EEABRN Fc1cccnc1OC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247488590 464684840 /nfs/dbraw/zinc/68/48/40/464684840.db2.gz ASNSTCQCUPZGSN-HNNXBMFYSA-N 0 0 332.379 2.032 40 0 EEABRN Cc1cc(CNC(=O)NC[C@@H]2CCc3ccccc32)nc(N(C)C)n1 ZINC000190640000 464692856 /nfs/dbraw/zinc/69/28/56/464692856.db2.gz XOOFHEUCBSWODI-HNNXBMFYSA-N 0 0 339.443 2.380 40 0 EEABRN Cc1cccc(CN2CC3(C2)OCC[C@@H]3COCC2CCOCC2)n1 ZINC000247878365 464712003 /nfs/dbraw/zinc/71/20/03/464712003.db2.gz QCWUVDICCDZSLE-GOSISDBHSA-N 0 0 346.471 2.424 40 0 EEABRN Cc1ccc(CN2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)s1 ZINC000248033586 464725311 /nfs/dbraw/zinc/72/53/11/464725311.db2.gz UHQGHPFJRYOZTI-INIZCTEOSA-N 0 0 347.484 2.347 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000248135163 464732634 /nfs/dbraw/zinc/73/26/34/464732634.db2.gz OIHHFFSEWCAIRH-YQQAZPJKSA-N 0 0 348.472 2.073 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000248122948 464732833 /nfs/dbraw/zinc/73/28/33/464732833.db2.gz KQFZSZKDLFRLHW-LBPRGKRZSA-N 0 0 347.415 2.338 40 0 EEABRN CN(C)c1ncccc1CNC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000190985823 464756136 /nfs/dbraw/zinc/75/61/36/464756136.db2.gz WZZYMYUUSAPHEU-GOSISDBHSA-N 0 0 334.464 2.278 40 0 EEABRN O=C(NCCc1nc2ccccc2[nH]1)NC[C@H]1CSCCS1 ZINC000176407922 464766312 /nfs/dbraw/zinc/76/63/12/464766312.db2.gz UNULDYZNDXAVFN-NSHDSACASA-N 0 0 336.486 2.253 40 0 EEABRN CCCC(=O)N[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000191981963 464840361 /nfs/dbraw/zinc/84/03/61/464840361.db2.gz KVHFDBRMBOHHAD-NVXWUHKLSA-N 0 0 329.444 2.321 40 0 EEABRN C[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CCS1(=O)=O ZINC000192051612 464856317 /nfs/dbraw/zinc/85/63/17/464856317.db2.gz BTRKTHBOGCDYQK-ZDUSSCGKSA-N 0 0 337.420 2.020 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000249586581 464894996 /nfs/dbraw/zinc/89/49/96/464894996.db2.gz OLHBIFSDAOLGQC-KCPJHIHWSA-N 0 0 325.430 2.095 40 0 EEABRN COc1cccc(Cc2nc(-c3cnn4c3nc(C)cc4C)no2)n1 ZINC000192699946 464980141 /nfs/dbraw/zinc/98/01/41/464980141.db2.gz SOHBJHPFPMGXDO-UHFFFAOYSA-N 0 0 336.355 2.391 40 0 EEABRN CO[C@@H](CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 ZINC000253393239 464998592 /nfs/dbraw/zinc/99/85/92/464998592.db2.gz WXNVPADEZYUWFS-LSDHHAIUSA-N 0 0 349.406 2.014 40 0 EEABRN Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000253427079 465011462 /nfs/dbraw/zinc/01/14/62/465011462.db2.gz CWYNVKCPVANVBD-ZDUSSCGKSA-N 0 0 340.339 2.247 40 0 EEABRN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H](c2ccsc2)O1 ZINC000253428104 465012809 /nfs/dbraw/zinc/01/28/09/465012809.db2.gz HHAUPKNGBACILJ-YPMHNXCESA-N 0 0 343.470 2.004 40 0 EEABRN COc1ccccc1[C@H](NS(=O)(=O)c1ccnn1C)c1ccco1 ZINC000253429665 465013483 /nfs/dbraw/zinc/01/34/83/465013483.db2.gz ULJNLQQPXRDHFS-INIZCTEOSA-N 0 0 347.396 2.090 40 0 EEABRN COc1ccc(-c2cnc3n2CCN(C(=O)c2cnc(C)cn2)C3)cc1 ZINC000306134347 466491418 /nfs/dbraw/zinc/49/14/18/466491418.db2.gz NKHLZAXKKMSSTK-UHFFFAOYSA-N 0 0 349.394 2.313 40 0 EEABRN COc1ccc(OC)c(NC(=O)CNC(=O)Oc2ccccc2)c1 ZINC000409000783 466684189 /nfs/dbraw/zinc/68/41/89/466684189.db2.gz XYJHTWDITZQJIT-UHFFFAOYSA-N 0 0 330.340 2.431 40 0 EEABRN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000409000883 466684363 /nfs/dbraw/zinc/68/43/63/466684363.db2.gz ZPWPMNVOPZADOB-KRWDZBQOSA-N 0 0 342.395 2.149 40 0 EEABRN O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ncccn1 ZINC000409167127 466685390 /nfs/dbraw/zinc/68/53/90/466685390.db2.gz HNMNUPUETUPRHY-UHFFFAOYSA-N 0 0 343.368 2.213 40 0 EEABRN Cn1ccc([C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000390828926 467412652 /nfs/dbraw/zinc/41/26/52/467412652.db2.gz CFUYQKDCEHBEJP-ZDUSSCGKSA-N 0 0 327.384 2.211 40 0 EEABRN O=C(c1ccncc1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831523 467413005 /nfs/dbraw/zinc/41/30/05/467413005.db2.gz SINRUFIKGFQCCM-INIZCTEOSA-N 0 0 330.409 2.084 40 0 EEABRN COc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000390833645 467414007 /nfs/dbraw/zinc/41/40/07/467414007.db2.gz KUNMYMCYQRYXPJ-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c1 ZINC000575403594 468141459 /nfs/dbraw/zinc/14/14/59/468141459.db2.gz JBXKIGZCRUKTOL-INIZCTEOSA-N 0 0 339.395 2.238 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000575404378 468141512 /nfs/dbraw/zinc/14/15/12/468141512.db2.gz RXAAHWFDFOHWIK-MCIGGMRASA-N 0 0 340.395 2.434 40 0 EEABRN O=C(COCc1ccccc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605063 468145455 /nfs/dbraw/zinc/14/54/55/468145455.db2.gz GROIKAGJGPHWPA-HNNXBMFYSA-N 0 0 347.802 2.327 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC000575604661 468146089 /nfs/dbraw/zinc/14/60/89/468146089.db2.gz BYXDUWLRPSPLIY-INIZCTEOSA-N 0 0 344.390 2.365 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)no1 ZINC000585094530 468963586 /nfs/dbraw/zinc/96/35/86/468963586.db2.gz YYZXEBRADPXVSX-HNNXBMFYSA-N 0 0 347.390 2.913 40 0 EEABRN Cc1cnc(OC[C@H]2Cc3c(ncn3C)CN2Cc2ccco2)nc1 ZINC000585094590 468963778 /nfs/dbraw/zinc/96/37/78/468963778.db2.gz CWMRJKGDXIMTQQ-CQSZACIVSA-N 0 0 339.399 2.117 40 0 EEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](COc3ncccn3)C2)c1 ZINC000585095126 468964774 /nfs/dbraw/zinc/96/47/74/468964774.db2.gz AHMJSVSKDSFHJW-QGZVFWFLSA-N 0 0 349.394 2.258 40 0 EEABRN O=C(N1CCOC[C@]2(CCN(c3ccccn3)C2)C1)C1(F)CCC1 ZINC000585113546 468975779 /nfs/dbraw/zinc/97/57/79/468975779.db2.gz HYLLJIGYEBGVDA-KRWDZBQOSA-N 0 0 333.407 2.029 40 0 EEABRN CCOC(=O)c1cnc(N[C@@H]2CCc3ccccc3NC2=O)nc1C ZINC000585141179 468990825 /nfs/dbraw/zinc/99/08/25/468990825.db2.gz QWSWLCFZGIKAET-OAHLLOKOSA-N 0 0 340.383 2.327 40 0 EEABRN CN(C)c1nc([C@H]2CCN(C(=O)c3ccncc3)C2)cn2cccc12 ZINC000585182442 468995252 /nfs/dbraw/zinc/99/52/52/468995252.db2.gz VUIXIUGHNWQRJI-HNNXBMFYSA-N 0 0 335.411 2.425 40 0 EEABRN Cc1cnccc1C(=O)N1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585277116 469002069 /nfs/dbraw/zinc/00/20/69/469002069.db2.gz LNXHZRIWUTXQTK-GOSISDBHSA-N 0 0 330.359 2.185 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585277804 469002849 /nfs/dbraw/zinc/00/28/49/469002849.db2.gz PJOOJGANFPIDHD-IBGZPJMESA-N 0 0 341.411 2.404 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585277912 469003253 /nfs/dbraw/zinc/00/32/53/469003253.db2.gz QRXRMKRSQBVKFI-SFHVURJKSA-N 0 0 345.374 2.234 40 0 EEABRN Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ccncc3C)CCO2)c1 ZINC000585278347 469003389 /nfs/dbraw/zinc/00/33/89/469003389.db2.gz SHQOOKHSKQFMJZ-FQEVSTJZSA-N 0 0 340.423 2.145 40 0 EEABRN CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000585278037 469003704 /nfs/dbraw/zinc/00/37/04/469003704.db2.gz PGUYAOVLEYMUBB-IBGZPJMESA-N 0 0 348.443 2.234 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)CCCn2ccnc2)C[C@@H]1O ZINC000585278364 469003715 /nfs/dbraw/zinc/00/37/15/469003715.db2.gz CSADQYSPKJUDFN-MOPGFXCFSA-N 0 0 341.455 2.424 40 0 EEABRN Cc1noc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000601971575 469120039 /nfs/dbraw/zinc/12/00/39/469120039.db2.gz LECWGMBOQNWBPF-PJODQICGSA-N 0 0 342.399 2.165 40 0 EEABRN COc1nnc(NC(=O)N2CCC[C@@H]2c2nc(C)cs2)s1 ZINC000640043255 470768607 /nfs/dbraw/zinc/76/86/07/470768607.db2.gz IJSHFZSJGZUDQB-MRVPVSSYSA-N 0 0 325.419 2.681 40 0 EEABRN Cc1ccc(CNC(=S)Nc2ccc(N3CCOCC3)nc2)o1 ZINC000223906636 485533483 /nfs/dbraw/zinc/53/34/83/485533483.db2.gz HCIAVZLVGBTSBI-UHFFFAOYSA-N 0 0 332.429 2.306 40 0 EEABRN COCCCNC(=S)Nc1ccc(Sc2ncccn2)nc1 ZINC000223890219 485534168 /nfs/dbraw/zinc/53/41/68/485534168.db2.gz SCWULOZHUHUIBG-UHFFFAOYSA-N 0 0 335.458 2.346 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1 ZINC000390826629 485667918 /nfs/dbraw/zinc/66/79/18/485667918.db2.gz NZDALNFZIJFQGP-UHFFFAOYSA-N 0 0 330.388 2.382 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257254409 534316097 /nfs/dbraw/zinc/31/60/97/534316097.db2.gz KCYDUGKOSCYGMQ-INIZCTEOSA-N 0 0 345.374 2.204 40 0 EEABRN CCCCn1nc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1=O ZINC000044869227 521394116 /nfs/dbraw/zinc/39/41/16/521394116.db2.gz HQRQTBTYGXLCDB-GFCCVEGCSA-N 0 0 339.399 2.411 40 0 EEABRN CC(=O)N1CCN(c2cccc(NC(=O)NC3CCCC3)c2)CC1 ZINC000186931648 526634517 /nfs/dbraw/zinc/63/45/17/526634517.db2.gz XBOXBDBAVNLHSW-UHFFFAOYSA-N 0 0 330.432 2.419 40 0 EEABRN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCc1cnc(C2CC2)nc1 ZINC000253393302 527331861 /nfs/dbraw/zinc/33/18/61/527331861.db2.gz ONEQMTVZOJWJIA-OAHLLOKOSA-N 0 0 340.431 2.007 40 0 EEABRN CC1=NC(=S)N[C@@H](c2ccc3c(c2)OCO3)C1C(=O)OC(C)C ZINC000111906281 528082856 /nfs/dbraw/zinc/08/28/56/528082856.db2.gz VFBKIBOPOMMZKR-AWEZNQCLSA-N 0 0 334.397 2.160 40 0 EEABRN CCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F ZINC000257238923 535106816 /nfs/dbraw/zinc/10/68/16/535106816.db2.gz HNDLTODYLHZCFL-PBHICJAKSA-N 0 0 336.407 2.278 40 0 EEABRN CCCCNc1ncc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000218759440 535297273 /nfs/dbraw/zinc/29/72/73/535297273.db2.gz JBGNQQMIYLOSRE-MRXNPFEDSA-N 0 0 328.416 2.474 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2C(=O)COc2cccnc2)ccn1 ZINC000257271038 536145249 /nfs/dbraw/zinc/14/52/49/536145249.db2.gz MWOFZLMZXSFPGJ-INIZCTEOSA-N 0 0 326.400 2.285 40 0 EEABRN COc1ccc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cc1F ZINC000257225863 536749605 /nfs/dbraw/zinc/74/96/05/536749605.db2.gz FIEQOTOWWNYCNN-CYBMUJFWSA-N 0 0 345.374 2.448 40 0 EEABRN COc1ncccc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257257556 537150229 /nfs/dbraw/zinc/15/02/29/537150229.db2.gz KQCQRBAJFDFDHH-AWEZNQCLSA-N 0 0 326.400 2.226 40 0 EEABRN O=c1c(=Cc2ccc(-c3cccc(Cl)c3)o2)sc2n1CCN=2 ZINC000585680315 1184938788 /nfs/dbraw/zinc/93/87/88/1184938788.db2.gz KDFHZMSUKBHLSA-UHFFFAOYSA-N 0 0 330.796 2.285 40 0 EEABRN Cc1ccc([C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)nc3)C2)cc1 ZINC000935355398 1208138367 /nfs/dbraw/zinc/13/83/67/1208138367.db2.gz DFTNFQLCRWFDKY-MRXNPFEDSA-N 0 0 344.436 2.423 40 0 EEABRN COc1cccc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)c1 ZINC000072321897 1296887489 /nfs/dbraw/zinc/88/74/89/1296887489.db2.gz FCFFCEXFGMBJMH-BRSBDYLESA-N 0 0 342.395 2.095 40 0 biogenic,in-vitro EEABRN Cc1nn(C)c(C)c1NC(=O)N1Cc2ccccc2NC(=O)[C@@H]1C ZINC001548453515 1124294982 /nfs/dbraw/zinc/29/49/82/1124294982.db2.gz GMIVQAGJRPLORA-LBPRGKRZSA-N 0 0 327.388 2.412 40 0 EEABRN CNC(=O)[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)CCO1 ZINC000183503273 529909113 /nfs/dbraw/zinc/90/91/13/529909113.db2.gz ZKMJXSXTLQLWQV-GJZGRUSLSA-N 0 0 338.835 2.053 40 0 EEABRN CCOC(=O)CS[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O ZINC000101273924 219120567 /nfs/dbraw/zinc/12/05/67/219120567.db2.gz VEALUZLKJUVPOX-LLVKDONJSA-N 0 0 327.789 2.268 40 0 EEABRN CNC(=O)[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)CCO1 ZINC000183503315 529927647 /nfs/dbraw/zinc/92/76/47/529927647.db2.gz ZKMJXSXTLQLWQV-CABCVRRESA-N 0 0 338.835 2.053 40 0 EEABRN O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(F)cc1 ZINC000004199461 210144090 /nfs/dbraw/zinc/14/40/90/210144090.db2.gz JOVUNFDAJBFQME-OJXGSEEGSA-N 0 0 330.359 2.185 40 0 EEABRN COc1cc([C@@H]2Nn3c(nnc3-c3cccnc3)S2)ccc1O ZINC000003843131 210078769 /nfs/dbraw/zinc/07/87/69/210078769.db2.gz DRNOZFVOPFIEHN-CQSZACIVSA-N 0 0 327.369 2.402 40 0 EEABRN COc1ccccc1CNC1(Cc2cc(C(C)(C)O)on2)COC1 ZINC000067897920 215245699 /nfs/dbraw/zinc/24/56/99/215245699.db2.gz MTYHJRZWHLDIIJ-UHFFFAOYSA-N 0 0 332.400 2.012 40 0 biogenic,in-vitro EEABRN COc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H](C)O)cc1 ZINC000068561872 215318775 /nfs/dbraw/zinc/31/87/75/215318775.db2.gz QYHICOZNDUCXDX-JCURWCKSSA-N 0 0 343.452 2.444 40 0 EEABRN C[C@@H]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H]1C ZINC000068969109 215350559 /nfs/dbraw/zinc/35/05/59/215350559.db2.gz OYMSIWSLPQIIGE-SUJAAXHWSA-N 0 0 334.460 2.493 40 0 EEABRN Nc1ccnc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302014 234147839 /nfs/dbraw/zinc/14/78/39/234147839.db2.gz AKXNNGURIZMSLV-CQSZACIVSA-N 0 0 335.415 2.224 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000040462522 213307957 /nfs/dbraw/zinc/30/79/57/213307957.db2.gz VDOMEODHOKFKMH-HNNXBMFYSA-N 0 0 341.367 2.481 40 0 EEABRN CC(=O)NCc1ccc(S(=O)(=O)NC2CCC(C)CC2)s1 ZINC000040461271 213307543 /nfs/dbraw/zinc/30/75/43/213307543.db2.gz UYGCDBSYFNOGTM-UHFFFAOYSA-N 0 0 330.475 2.241 40 0 EEABRN COc1cc(C(OC(C)=O)OC(C)=O)c(Cl)cc1OC(C)=O ZINC000001621478 209768749 /nfs/dbraw/zinc/76/87/49/209768749.db2.gz YKTGMUQPEDELRE-UHFFFAOYSA-N 0 0 330.720 2.399 40 0 EEABRN Fc1cnc(N2CCC3(CCN(c4ncccn4)CC3)CC2)nc1 ZINC000096158458 283033089 /nfs/dbraw/zinc/03/30/89/283033089.db2.gz ZYXLIVJSUQHJCQ-UHFFFAOYSA-N 0 0 328.395 2.293 40 0 EEABRN CCCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 ZINC000000801413 209687563 /nfs/dbraw/zinc/68/75/63/209687563.db2.gz UEJOSWSZVRMOAU-UHFFFAOYSA-N 0 0 328.463 2.381 40 0 EEABRN C[C@H](c1cccc(O)c1)N(C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000183920500 235262044 /nfs/dbraw/zinc/26/20/44/235262044.db2.gz VPTUFCVCHQGEPE-GFCCVEGCSA-N 0 0 330.359 2.481 40 0 EEABRN CC[C@@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1cccn1 ZINC000036615005 213102590 /nfs/dbraw/zinc/10/25/90/213102590.db2.gz JOYHBHMASOSXBA-NSHDSACASA-N 0 0 347.391 2.103 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)NC[C@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000035105638 213009408 /nfs/dbraw/zinc/00/94/08/213009408.db2.gz AJMACYPRLQPIQV-AOIWGVFYSA-N 0 0 338.407 2.056 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CCc3cncn3C)CCO2)ccc1F ZINC000189369297 236849807 /nfs/dbraw/zinc/84/98/07/236849807.db2.gz BBQBZKLEXXUKII-QGZVFWFLSA-N 0 0 331.391 2.400 40 0 EEABRN COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C ZINC000000422277 209584891 /nfs/dbraw/zinc/58/48/91/209584891.db2.gz TWHJCYJQUCPZDG-UHFFFAOYSA-N 0 0 326.809 2.346 40 0 EEABRN Cc1c2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c2nn1C ZINC000032647410 212822026 /nfs/dbraw/zinc/82/20/26/212822026.db2.gz JMXGYOCYCRTHGQ-UHFFFAOYSA-N 0 0 345.790 2.039 40 0 EEABRN O=C(N[C@@H]1CCC(=O)NC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000072062943 216001817 /nfs/dbraw/zinc/00/18/17/216001817.db2.gz LCJQNHKIHGIPCF-CQSZACIVSA-N 0 0 346.390 2.305 40 0 EEABRN Cc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CCCC3 ZINC000000414027 209578398 /nfs/dbraw/zinc/57/83/98/209578398.db2.gz CNLUVECQYLUYMU-UHFFFAOYSA-N 0 0 333.442 2.104 40 0 EEABRN Cc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 ZINC000072241563 216080355 /nfs/dbraw/zinc/08/03/55/216080355.db2.gz QHLGSPXNXCWPSJ-SJORKVTESA-N 0 0 343.358 2.066 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000072241918 216080582 /nfs/dbraw/zinc/08/05/82/216080582.db2.gz HUDRWPBJLLXEHG-WMZOPIPTSA-N 0 0 341.386 2.447 40 0 EEABRN COC(=O)c1cc(Nc2cc(OC)cc(OC)c2)c(=O)n2c1CCC2 ZINC000072266147 216086969 /nfs/dbraw/zinc/08/69/69/216086969.db2.gz ZOAQDTISYUVFIJ-UHFFFAOYSA-N 0 0 344.367 2.342 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2cccc(Br)c2)[C@H]1C ZINC000190039077 238185075 /nfs/dbraw/zinc/18/50/75/238185075.db2.gz RHGXBQVSVQWAMA-VHSXEESVSA-N 0 0 341.205 2.023 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1C ZINC000072533607 216270255 /nfs/dbraw/zinc/27/02/55/216270255.db2.gz PLWICNOKLBBSKT-SNVBAGLBSA-N 0 0 349.818 2.248 40 0 EEABRN Cc1noc([C@H]2COCCN2C(=O)Cc2cnc3ccccc3c2)n1 ZINC000190494141 238536783 /nfs/dbraw/zinc/53/67/83/238536783.db2.gz LNQYUZQRBXXYEP-MRXNPFEDSA-N 0 0 338.367 2.069 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000075273924 216602334 /nfs/dbraw/zinc/60/23/34/216602334.db2.gz DDRZYGZHJSZDEB-LLVKDONJSA-N 0 0 327.837 2.144 40 0 EEABRN O=C(COc1cccc(I)c1)Nc1cc[nH]n1 ZINC000194457054 240587656 /nfs/dbraw/zinc/58/76/56/240587656.db2.gz SDJWMENZZLFRRF-UHFFFAOYSA-N 0 0 343.124 2.032 40 0 EEABRN CCCNC(=O)c1ccc(N2CCC[C@H](Cc3noc(C)n3)C2)nc1 ZINC000195553171 241000824 /nfs/dbraw/zinc/00/08/24/241000824.db2.gz KPSXDXVDROXMGM-CQSZACIVSA-N 0 0 343.431 2.372 40 0 EEABRN CCOC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218040786 241293970 /nfs/dbraw/zinc/29/39/70/241293970.db2.gz PIWJASYTVXHSOK-FGTMMUONSA-N 0 0 331.437 2.360 40 0 EEABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N(C)C ZINC000223242675 241620393 /nfs/dbraw/zinc/62/03/93/241620393.db2.gz YDECNFLRCAXTRN-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN CNC(=O)CC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000225736904 242013270 /nfs/dbraw/zinc/01/32/70/242013270.db2.gz DMOZCOLFCMDZIV-UHFFFAOYSA-N 0 0 339.233 2.291 40 0 EEABRN O=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1cccnc1 ZINC000227160191 242124851 /nfs/dbraw/zinc/12/48/51/242124851.db2.gz MSIRCCYZUMJJIE-UHFFFAOYSA-N 0 0 327.319 2.030 40 0 EEABRN CC(C)(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000226088188 242088776 /nfs/dbraw/zinc/08/87/76/242088776.db2.gz HVELKZIJMYTYAC-AWEZNQCLSA-N 0 0 338.473 2.250 40 0 EEABRN Cc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1C ZINC000021596156 212233060 /nfs/dbraw/zinc/23/30/60/212233060.db2.gz COFWNXMPKHKQQU-UHFFFAOYSA-N 0 0 332.433 2.073 40 0 EEABRN CCn1cnnc1[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000242302380 243017606 /nfs/dbraw/zinc/01/76/06/243017606.db2.gz YSDCUAGIRHRKEJ-CQSZACIVSA-N 0 0 327.436 2.072 40 0 EEABRN Cc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)C2CCCC2)c1 ZINC000076585304 216794844 /nfs/dbraw/zinc/79/48/44/216794844.db2.gz XOMHXXSMXARSKJ-AWEZNQCLSA-N 0 0 339.457 2.236 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)on1 ZINC000252489621 243793400 /nfs/dbraw/zinc/79/34/00/243793400.db2.gz JUWBBPLJOZTMQK-LLVKDONJSA-N 0 0 325.162 2.209 40 0 EEABRN O=C(c1cccc(OC(F)(F)F)c1)N1CC(Nc2ncccn2)C1 ZINC000253471135 243992865 /nfs/dbraw/zinc/99/28/65/243992865.db2.gz BHPICOHGFINEPQ-UHFFFAOYSA-N 0 0 338.289 2.312 40 0 EEABRN Cn1cc([C@@H]2CSCCN2C(=O)c2cc(C(C)(C)C)nn2C)cn1 ZINC000253431167 243985074 /nfs/dbraw/zinc/98/50/74/243985074.db2.gz QLSPLNSJVMLKTL-AWEZNQCLSA-N 0 0 347.488 2.381 40 0 EEABRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)cn1 ZINC000257200422 244118922 /nfs/dbraw/zinc/11/89/22/244118922.db2.gz ADGHQZYEBJECEJ-HNNXBMFYSA-N 0 0 326.400 2.289 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257213168 244158392 /nfs/dbraw/zinc/15/83/92/244158392.db2.gz CGKYGTGNBQIGRY-HOTGVXAUSA-N 0 0 348.374 2.475 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2ccnc(=O)[nH]2)n(C)n1 ZINC000257222593 244188291 /nfs/dbraw/zinc/18/82/91/244188291.db2.gz DTXWPRMJLCAZNB-CQSZACIVSA-N 0 0 329.404 2.092 40 0 EEABRN CO[C@H]1CN(C(=O)c2cc(CC(C)C)nn2C)CC[C@@]12CCCO2 ZINC000257222936 244190741 /nfs/dbraw/zinc/19/07/41/244190741.db2.gz DVFGYWZIWULJHK-WMZOPIPTSA-N 0 0 335.448 2.029 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H]2c2ccnc(NC)c2)n1 ZINC000257225147 244198211 /nfs/dbraw/zinc/19/82/11/244198211.db2.gz FFAXMTXXXANIDV-ZDUSSCGKSA-N 0 0 329.404 2.365 40 0 EEABRN Cc1cccc(C[C@@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)n1 ZINC000257227073 244204391 /nfs/dbraw/zinc/20/43/91/244204391.db2.gz FNMVYRJPUGUJRN-AWEZNQCLSA-N 0 0 326.400 2.289 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CC[C@@H](c2nccc(C)n2)C1 ZINC000257243710 244250859 /nfs/dbraw/zinc/25/08/59/244250859.db2.gz IIEYECPYVXTAGY-OAHLLOKOSA-N 0 0 335.411 2.300 40 0 EEABRN O=c1cc(C[C@@H]2COCCN(Cc3cc(F)cc(F)c3)C2)nc[nH]1 ZINC000257239257 244237775 /nfs/dbraw/zinc/23/77/75/244237775.db2.gz HOPACWAIMFXABP-ZDUSSCGKSA-N 0 0 335.354 2.152 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F ZINC000257239915 244238435 /nfs/dbraw/zinc/23/84/35/244238435.db2.gz HRIPSYJDUWGEPG-OAHLLOKOSA-N 0 0 330.363 2.015 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257241093 244244482 /nfs/dbraw/zinc/24/44/82/244244482.db2.gz HWOHGUOSIIMDPK-LBPRGKRZSA-N 0 0 331.347 2.106 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)CC2(O)CCCCC2)C1 ZINC000257259559 244293689 /nfs/dbraw/zinc/29/36/89/244293689.db2.gz KYXLSNWCIYYKLU-OAHLLOKOSA-N 0 0 346.475 2.385 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)nc(C)n1 ZINC000257274756 244389827 /nfs/dbraw/zinc/38/98/27/244389827.db2.gz NMMSKHPQDNFCKD-KRWDZBQOSA-N 0 0 345.374 2.211 40 0 EEABRN COc1ncc(CN2CCC[C@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257317210 244506191 /nfs/dbraw/zinc/50/61/91/244506191.db2.gz VIVKOKAWZFQDTO-GOSISDBHSA-N 0 0 342.447 2.161 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccncc1 ZINC000257316548 244507576 /nfs/dbraw/zinc/50/75/76/244507576.db2.gz VGAZXFGMLHTHCR-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN COc1ncc(C(=O)N2CCC(Oc3ccccc3F)CC2)cn1 ZINC000019571994 212044159 /nfs/dbraw/zinc/04/41/59/212044159.db2.gz LFCXOXZKQXMHPN-UHFFFAOYSA-N 0 0 331.347 2.308 40 0 EEABRN COc1cccc(CN2CCN(C(=O)Cc3ccccn3)[C@@H](C)C2)c1 ZINC000019575596 212045653 /nfs/dbraw/zinc/04/56/53/212045653.db2.gz XYAOASKWKPJWDL-INIZCTEOSA-N 0 0 339.439 2.366 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C ZINC000019555470 212040712 /nfs/dbraw/zinc/04/07/12/212040712.db2.gz QKJWWPZEZPKUSS-OAHLLOKOSA-N 0 0 329.375 2.432 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)[nH]c(=O)c1C ZINC000019555486 212040598 /nfs/dbraw/zinc/04/05/98/212040598.db2.gz KZIBFAPWRKRNRJ-HNNXBMFYSA-N 0 0 329.375 2.432 40 0 EEABRN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)CC(C)C)C3)CC1 ZINC000019446574 212028729 /nfs/dbraw/zinc/02/87/29/212028729.db2.gz GTZYSEMQDBCCAH-UHFFFAOYSA-N 0 0 344.459 2.133 40 0 EEABRN O=C(NCc1nnc2n1CCC2)N[C@H](c1ccco1)c1ccccc1 ZINC000045152642 213709393 /nfs/dbraw/zinc/70/93/93/213709393.db2.gz NZXPQUGYEQYEQH-KRWDZBQOSA-N 0 0 337.383 2.406 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2nccs2)C1 ZINC000078111995 217023815 /nfs/dbraw/zinc/02/38/15/217023815.db2.gz FARKVNLOAROHQM-OLZOCXBDSA-N 0 0 338.477 2.398 40 0 EEABRN COc1ccc(F)cc1C[S@](=O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000078556297 217076583 /nfs/dbraw/zinc/07/65/83/217076583.db2.gz BYRDYNVVYHCWEX-SDWAUSNYSA-N 0 0 340.376 2.407 40 0 EEABRN O=C(NCCOc1ccc(F)c(F)c1)NCc1cccc(CO)c1 ZINC000078605089 217085804 /nfs/dbraw/zinc/08/58/04/217085804.db2.gz HGFVSOWHJBPNMM-UHFFFAOYSA-N 0 0 336.338 2.335 40 0 EEABRN Cc1cc(NCc2cccnc2)c(C=O)c(=O)n1Cc1cccnc1 ZINC000016790071 211935355 /nfs/dbraw/zinc/93/53/55/211935355.db2.gz NTQUBIJMPXRVAX-UHFFFAOYSA-N 0 0 334.379 2.420 40 0 EEABRN CCS[C@H]1CCCCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC000078987313 217166040 /nfs/dbraw/zinc/16/60/40/217166040.db2.gz PIKGATZYZGSJEG-ZDUSSCGKSA-N 0 0 336.457 2.299 40 0 EEABRN C[S@](=O)c1nncn1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000078995749 217169232 /nfs/dbraw/zinc/16/92/32/217169232.db2.gz KERJFSOVVCXNCO-HXUWFJFHSA-N 0 0 330.200 2.018 40 0 EEABRN CCN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@H](C)CS(C)(=O)=O ZINC000079036419 217178515 /nfs/dbraw/zinc/17/85/15/217178515.db2.gz OAVQQSKALWAMAY-IAQYHMDHSA-N 0 0 342.436 2.278 40 0 EEABRN O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000079310285 217207289 /nfs/dbraw/zinc/20/72/89/217207289.db2.gz XIMFDVDTZZMGRC-HZSPNIEDSA-N 0 0 327.833 2.137 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000079353407 217213270 /nfs/dbraw/zinc/21/32/70/217213270.db2.gz GHSNAHWRNYQJMZ-ZDUSSCGKSA-N 0 0 345.365 2.256 40 0 EEABRN c1csc(N2CN(C[C@H]3CCCO3)CN(c3nccs3)C2)n1 ZINC000014165624 211697811 /nfs/dbraw/zinc/69/78/11/211697811.db2.gz VDEUGEKLUYDAQG-GFCCVEGCSA-N 0 0 337.474 2.280 40 0 EEABRN COCCNC(=S)Nc1ccccc1I ZINC000013787338 211639084 /nfs/dbraw/zinc/63/90/84/211639084.db2.gz RVVKWJXLMKDZQL-UHFFFAOYSA-N 0 0 336.198 2.224 40 0 EEABRN CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1cccs1)CS2 ZINC000085473857 217674081 /nfs/dbraw/zinc/67/40/81/217674081.db2.gz AEQZBDKYZBQZHM-LLVKDONJSA-N 0 0 349.481 2.214 40 0 EEABRN CC[C@H](C(=O)NC(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714007 211617176 /nfs/dbraw/zinc/61/71/76/211617176.db2.gz OIIZMPWVSAGONU-CYBMUJFWSA-N 0 0 332.853 2.409 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000265282722 247368793 /nfs/dbraw/zinc/36/87/93/247368793.db2.gz NJLOUYOANTVSSC-ZDUSSCGKSA-N 0 0 326.400 2.466 40 0 EEABRN O=C(c1ccoc1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096187966 296276321 /nfs/dbraw/zinc/27/63/21/296276321.db2.gz HMJQIGKLEDAOHI-CQSZACIVSA-N 0 0 338.367 2.222 40 0 EEABRN Cc1oc(-c2ccc(F)cc2)nc1C(=O)NC[C@H](C)n1cncn1 ZINC000012201576 211318735 /nfs/dbraw/zinc/31/87/35/211318735.db2.gz LTHVXXCKVRYYAS-JTQLQIEISA-N 0 0 329.335 2.372 40 0 EEABRN CCn1c2cc(C)oc2c2cnn(CC(=O)NC(C)(C)C)c(=O)c21 ZINC000012183656 211312230 /nfs/dbraw/zinc/31/22/30/211312230.db2.gz SOYQXGRIPVWNTG-UHFFFAOYSA-N 0 0 330.388 2.187 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012162807 211311010 /nfs/dbraw/zinc/31/10/10/211311010.db2.gz KJKIXWYOKXCDNX-CQSZACIVSA-N 0 0 327.384 2.058 40 0 EEABRN COc1ccc(C2(C(=O)NCc3nc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000012114713 211294447 /nfs/dbraw/zinc/29/44/47/211294447.db2.gz WZRUFIUNDXCGRH-UHFFFAOYSA-N 0 0 349.394 2.223 40 0 EEABRN CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC000095389932 218321858 /nfs/dbraw/zinc/32/18/58/218321858.db2.gz OBWIBJNWPVXZGI-AWEZNQCLSA-N 0 0 344.459 2.009 40 0 EEABRN Cc1ccnc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3F)CC2)n1 ZINC000095399062 218331580 /nfs/dbraw/zinc/33/15/80/218331580.db2.gz VPMSMYFAJNSPPC-CQSZACIVSA-N 0 0 344.390 2.040 40 0 EEABRN COCc1nc2n(n1)C[C@@H](NC(=O)NCC1CCC(C)(C)CC1)CC2 ZINC000095443445 218388265 /nfs/dbraw/zinc/38/82/65/218388265.db2.gz CYZXNDCULRFBGA-AWEZNQCLSA-N 0 0 349.479 2.255 40 0 EEABRN Cc1nc(C[S@](=O)CCS(=O)(=O)c2ccccc2)sc1C ZINC000095453967 218397602 /nfs/dbraw/zinc/39/76/02/218397602.db2.gz UJACBKBQWUHYGE-FQEVSTJZSA-N 0 0 343.495 2.483 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCCC1 ZINC000008218508 210913896 /nfs/dbraw/zinc/91/38/96/210913896.db2.gz NAAVOLQUIWGAIM-LBPRGKRZSA-N 0 0 344.864 2.409 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC000096055455 218545693 /nfs/dbraw/zinc/54/56/93/218545693.db2.gz XHCLLWAWPHTAAK-SQWLQELKSA-N 0 0 328.368 2.373 40 0 EEABRN COCCCC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408165 284867984 /nfs/dbraw/zinc/86/79/84/284867984.db2.gz AHMMIHZFOQXTTE-GFCCVEGCSA-N 0 0 328.359 2.410 40 0 EEABRN CN(Cc1cccs1)C(=O)COCc1nc(-c2cccnc2)no1 ZINC000096182072 218644089 /nfs/dbraw/zinc/64/40/89/218644089.db2.gz MSTAQNXLHYBIKO-UHFFFAOYSA-N 0 0 344.396 2.368 40 0 EEABRN COc1ccc(-n2cc(C(=O)N3CCSCC3)ccc2=O)cc1 ZINC000096192035 218661026 /nfs/dbraw/zinc/66/10/26/218661026.db2.gz CRHQLXSLDPIZRA-UHFFFAOYSA-N 0 0 330.409 2.035 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000096219199 218695031 /nfs/dbraw/zinc/69/50/31/218695031.db2.gz DYXDXSKRAVXKAK-RDTXWAMCSA-N 0 0 342.374 2.101 40 0 EEABRN C[C@]12CCC(=O)N1[C@H](C(=O)NC1(c3ccccc3F)CC1)CS2 ZINC000096412128 218767923 /nfs/dbraw/zinc/76/79/23/218767923.db2.gz CCRALOQTNPWYGT-BBRMVZONSA-N 0 0 334.416 2.385 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1cccc(Br)c1 ZINC000096415205 218774731 /nfs/dbraw/zinc/77/47/31/218774731.db2.gz YLPFKOHVPRGYNG-BXKDBHETSA-N 0 0 340.221 2.040 40 0 EEABRN O=C(CN1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096420962 218785351 /nfs/dbraw/zinc/78/53/51/218785351.db2.gz QTANOEJMBUVMQP-LBPRGKRZSA-N 0 0 349.740 2.475 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000096423422 218791055 /nfs/dbraw/zinc/79/10/55/218791055.db2.gz QFNYDGPITDPECM-OAGGEKHMSA-N 0 0 334.460 2.099 40 0 EEABRN O=C(c1nccn2ccnc12)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000096460468 218842707 /nfs/dbraw/zinc/84/27/07/218842707.db2.gz YOZYYFVFCYEMHT-INIZCTEOSA-N 0 0 336.395 2.203 40 0 EEABRN Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000096461077 218843102 /nfs/dbraw/zinc/84/31/02/218843102.db2.gz VSYNNYLBPHHOJJ-LLVKDONJSA-N 0 0 338.454 2.096 40 0 EEABRN CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)NCc1cccs1 ZINC000005414064 210459307 /nfs/dbraw/zinc/45/93/07/210459307.db2.gz XIQWJPJKJSZYRP-STQMWFEESA-N 0 0 344.502 2.062 40 0 biogenic,in-vitro EEABRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)Cc1nccs1 ZINC000096502182 218879124 /nfs/dbraw/zinc/87/91/24/218879124.db2.gz VNWJRZJVWCHWNY-UHFFFAOYSA-N 0 0 342.490 2.433 40 0 EEABRN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)C(C)C)C[C@@H]12 ZINC000019528265 285176745 /nfs/dbraw/zinc/17/67/45/285176745.db2.gz TXPYZKLQHRYUIS-BEFAXECRSA-N 0 0 328.412 2.218 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000006946690 257865245 /nfs/dbraw/zinc/86/52/45/257865245.db2.gz STWFOWJWJLYRCK-NSHDSACASA-N 0 0 332.853 2.411 40 0 EEABRN CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945623 132198240 /nfs/dbraw/zinc/19/82/40/132198240.db2.gz HYAFJDGITAZHIP-KRWDZBQOSA-N 0 0 331.391 2.418 40 0 EEABRN COC(=O)NCCCc1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000078774517 132816873 /nfs/dbraw/zinc/81/68/73/132816873.db2.gz JAOZEHVWVCGFMS-UHFFFAOYSA-N 0 0 345.403 2.411 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O)c(C)c1 ZINC000189391099 292281080 /nfs/dbraw/zinc/28/10/80/292281080.db2.gz UKMCWEWNBQQSQF-NHYWBVRUSA-N 0 0 344.333 2.384 40 0 EEABRN CN1C(=O)C2(CCN(C(=O)c3cccnc3)CC2)c2cccc(F)c21 ZINC000096261766 276872445 /nfs/dbraw/zinc/87/24/45/276872445.db2.gz FHUAFPRYCCAAGO-UHFFFAOYSA-N 0 0 339.370 2.371 40 0 EEABRN CC(=O)Nc1cccc(CN2CCNC(=O)[C@@H]2c2cccs2)c1 ZINC000072799536 277086226 /nfs/dbraw/zinc/08/62/26/277086226.db2.gz RLHWVQPEUWEDDY-INIZCTEOSA-N 0 0 329.425 2.380 40 0 EEABRN COc1ccnc(N2CCN(c3cccc(F)c3C(C)=O)CC2)n1 ZINC000078393958 278066290 /nfs/dbraw/zinc/06/62/90/278066290.db2.gz KTJRASCAIUQWTK-UHFFFAOYSA-N 0 0 330.363 2.154 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107292 280235797 /nfs/dbraw/zinc/23/57/97/280235797.db2.gz LWHHPGWPVQNCNS-QAPCUYQASA-N 0 0 343.383 2.050 40 0 EEABRN Cc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)CC1CC1)C2 ZINC000096199112 281137068 /nfs/dbraw/zinc/13/70/68/281137068.db2.gz CONXLPBMXAQRBH-UHFFFAOYSA-N 0 0 339.443 2.235 40 0 EEABRN Cc1ccn2ncc(C(=O)N3CCCCC[C@H]3c3ncon3)c2n1 ZINC000189620663 292752722 /nfs/dbraw/zinc/75/27/22/292752722.db2.gz JXADMGXLHGGAPF-ZDUSSCGKSA-N 0 0 326.360 2.178 40 0 EEABRN C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000252571673 289840888 /nfs/dbraw/zinc/84/08/88/289840888.db2.gz YHIFRGAPGZMBKX-RVKKMQEKSA-N 0 0 342.443 2.405 40 0 EEABRN O=C(CC(F)(F)F)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161441 295458882 /nfs/dbraw/zinc/45/88/82/295458882.db2.gz AXIICCZHRTUURL-WFASDCNBSA-N 0 0 326.318 2.071 40 0 EEABRN CN(c1c(F)cccc1C(N)=O)S(=O)(=O)C[C@H]1CCCCO1 ZINC000330847859 311792362 /nfs/dbraw/zinc/79/23/62/311792362.db2.gz MBSDOFUBJJUFSJ-SNVBAGLBSA-N 0 0 330.381 2.044 40 0 EEABRN O=C(CCn1cncn1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000097236375 323321380 /nfs/dbraw/zinc/32/13/80/323321380.db2.gz WRXPGTVGFVKLOU-GFCCVEGCSA-N 0 0 334.248 2.366 40 0 EEABRN CNC(=O)c1cccc(CN2CCOC[C@H]2CC(=O)c2ccco2)c1 ZINC000097103297 323321644 /nfs/dbraw/zinc/32/16/44/323321644.db2.gz CLIXHMZELPNVHP-MRXNPFEDSA-N 0 0 342.395 2.113 40 0 EEABRN CC(C)(O)[C@@H]1CCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000097375947 323322359 /nfs/dbraw/zinc/32/23/59/323322359.db2.gz UQCIHRCGLABOMG-AWEZNQCLSA-N 0 0 328.359 2.289 40 0 EEABRN O=C(N[C@H](C1CCCC1)C(F)(F)F)N[C@@H]1CCc2ncnn2C1 ZINC000133612336 323329625 /nfs/dbraw/zinc/32/96/25/323329625.db2.gz OXLRUILYFHYYDM-ZYHUDNBSSA-N 0 0 331.342 2.013 40 0 EEABRN Cc1noc(CCC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000074034620 462545135 /nfs/dbraw/zinc/54/51/35/462545135.db2.gz IUFHWFXBCCOTDU-LBPRGKRZSA-N 0 0 325.372 2.374 40 0 EEABRN CCCc1nc([C@@H](NC(=O)c2nccn2C)c2ccccc2)no1 ZINC000086167141 462565526 /nfs/dbraw/zinc/56/55/26/462565526.db2.gz UIEIMCABKWBUGM-AWEZNQCLSA-N 0 0 325.372 2.275 40 0 EEABRN Cc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000000571919 462571588 /nfs/dbraw/zinc/57/15/88/462571588.db2.gz MSWHUMTXNZPILY-UHFFFAOYSA-N 0 0 347.440 2.247 40 0 EEABRN CCC(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1 ZINC000000801414 462573498 /nfs/dbraw/zinc/57/34/98/462573498.db2.gz LXQPBJNMRPFPFO-UHFFFAOYSA-N 0 0 336.442 2.295 40 0 EEABRN CCOC(=O)N[C@H]1[C@H](O)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2O[C@@H]1OC ZINC000004531027 462634195 /nfs/dbraw/zinc/63/41/95/462634195.db2.gz OGNXEDDZAJYKJV-LMMHAMTPSA-N 0 0 349.427 2.417 40 0 EEABRN NC(=O)SCC(=O)Nc1ccc(I)cc1 ZINC000005674497 462666210 /nfs/dbraw/zinc/66/62/10/462666210.db2.gz GIWJECSIYYOHDP-UHFFFAOYSA-N 0 0 336.154 2.042 40 0 EEABRN CC(C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006325823 462682756 /nfs/dbraw/zinc/68/27/56/462682756.db2.gz LSJRYABKXBEDOW-LLVKDONJSA-N 0 0 332.853 2.169 40 0 EEABRN O=C(NCCc1ccc(Cl)cc1)c1ccnc(-n2cnnc2)c1 ZINC000006677926 462696091 /nfs/dbraw/zinc/69/60/91/462696091.db2.gz UVBNHFNZEFCVKV-UHFFFAOYSA-N 0 0 327.775 2.288 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000006945023 462713740 /nfs/dbraw/zinc/71/37/40/462713740.db2.gz WRBMOKORJQVFCT-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN COc1cccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000007214761 462725913 /nfs/dbraw/zinc/72/59/13/462725913.db2.gz RKHNDITZLHIRGP-UHFFFAOYSA-N 0 0 348.424 2.474 40 0 EEABRN CC(=O)Nc1cccc(-c2nc(SCc3nnc(C)o3)n[nH]2)c1 ZINC000007604727 462740994 /nfs/dbraw/zinc/74/09/94/462740994.db2.gz CUIJFJWGPQZCOX-UHFFFAOYSA-N 0 0 330.373 2.414 40 0 EEABRN CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000047196711 462753619 /nfs/dbraw/zinc/75/36/19/462753619.db2.gz PUPNEARIIQLGOF-AWEZNQCLSA-N 0 0 337.379 2.271 40 0 EEABRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)no1 ZINC000008413291 462783175 /nfs/dbraw/zinc/78/31/75/462783175.db2.gz RKIXFZFQFPIIJZ-UHFFFAOYSA-N 0 0 345.355 2.192 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000008498941 462785894 /nfs/dbraw/zinc/78/58/94/462785894.db2.gz MYBYOPCWNPEMJQ-JTQLQIEISA-N 0 0 334.388 2.036 40 0 EEABRN CC(=O)N[C@H](C(=O)NCc1ccccc1-n1ccnc1)C1CCCC1 ZINC000091211737 462855191 /nfs/dbraw/zinc/85/51/91/462855191.db2.gz TYUXXZIMYPNOMB-SFHVURJKSA-N 0 0 340.427 2.183 40 0 EEABRN O=C(NCCOC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccncc1 ZINC000076853890 462917277 /nfs/dbraw/zinc/91/72/77/462917277.db2.gz MRSYXOKPFLSOBH-ZFWWWQNUSA-N 0 0 346.333 2.437 40 0 EEABRN CS(=O)(=O)N1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000049168745 462958484 /nfs/dbraw/zinc/95/84/84/462958484.db2.gz SKGFZMCFRMVKRN-QMMMGPOBSA-N 0 0 333.335 2.331 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)Nc1ccc(N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000016248554 462972517 /nfs/dbraw/zinc/97/25/17/462972517.db2.gz PQONHEUNDVPUAS-UHFFFAOYSA-N 0 0 340.426 2.156 40 0 EEABRN COCCNC(=S)Nc1cccc(I)c1 ZINC000016238248 462972781 /nfs/dbraw/zinc/97/27/81/462972781.db2.gz CZMOGOFXPRYMTH-UHFFFAOYSA-N 0 0 336.198 2.224 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000017302256 462997655 /nfs/dbraw/zinc/99/76/55/462997655.db2.gz PPGUHGFXDQXKAV-UHFFFAOYSA-N 0 0 339.351 2.009 40 0 EEABRN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000019117260 463014394 /nfs/dbraw/zinc/01/43/94/463014394.db2.gz LJBKZGWKXWLGOQ-BETUJISGSA-N 0 0 326.404 2.052 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449300 463027921 /nfs/dbraw/zinc/02/79/21/463027921.db2.gz YOMWWWADNRGOEP-LLVKDONJSA-N 0 0 348.399 2.325 40 0 EEABRN CC[C@@H](C)N(Cc1ccccc1)C(=O)CCC(=O)N1CCOCC1 ZINC000078718587 463142871 /nfs/dbraw/zinc/14/28/71/463142871.db2.gz IKVSQFOFSXWWIG-MRXNPFEDSA-N 0 0 332.444 2.453 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1OC)C2 ZINC000096039289 463143921 /nfs/dbraw/zinc/14/39/21/463143921.db2.gz MKALHGJYRFOKOR-PKOBYXMFSA-N 0 0 349.427 2.118 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nc(C)no3)C2)s1 ZINC000096038753 463144003 /nfs/dbraw/zinc/14/40/03/463144003.db2.gz FEMHYFWYIWOXDJ-CZUORRHYSA-N 0 0 333.413 2.321 40 0 EEABRN O=C(N[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096040651 463144663 /nfs/dbraw/zinc/14/46/63/463144663.db2.gz YHXKVDRCLNTPLR-LZWOXQAQSA-N 0 0 347.440 2.146 40 0 EEABRN Cc1cc(CN2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000096040907 463144789 /nfs/dbraw/zinc/14/47/89/463144789.db2.gz GWUMTMTUVHGPDY-ZACQAIPSSA-N 0 0 342.399 2.139 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)o1 ZINC000096041694 463146280 /nfs/dbraw/zinc/14/62/80/463146280.db2.gz WAXTYXWHTPCYGG-ZMSDIMECSA-N 0 0 328.368 2.434 40 0 EEABRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1nccs1 ZINC000096041894 463146299 /nfs/dbraw/zinc/14/62/99/463146299.db2.gz CKCLPZNJYVVSDT-GZBFAFLISA-N 0 0 335.404 2.488 40 0 EEABRN CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cc(C)on1)CC2 ZINC000096044520 463149011 /nfs/dbraw/zinc/14/90/11/463149011.db2.gz HSWYHRWXVMRFTB-MRXNPFEDSA-N 0 0 344.415 2.366 40 0 EEABRN Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C(=O)CC1CC1)C2 ZINC000096045005 463149422 /nfs/dbraw/zinc/14/94/22/463149422.db2.gz RWBSGUYKRQWSRV-MRXNPFEDSA-N 0 0 347.459 2.089 40 0 EEABRN CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC ZINC000096044628 463149496 /nfs/dbraw/zinc/14/94/96/463149496.db2.gz ICRDXPRJAWIVNY-AWEZNQCLSA-N 0 0 328.416 2.003 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC000096055457 463158477 /nfs/dbraw/zinc/15/84/77/463158477.db2.gz XHCLLWAWPHTAAK-OFQRWUPVSA-N 0 0 328.368 2.373 40 0 EEABRN Cc1cccc(C(=O)N2CCn3cc(CN4CCCCC4)nc3C2)n1 ZINC000096059410 463160048 /nfs/dbraw/zinc/16/00/48/463160048.db2.gz ITTIMLPURPDDBZ-UHFFFAOYSA-N 0 0 339.443 2.228 40 0 EEABRN CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060311 463160294 /nfs/dbraw/zinc/16/02/94/463160294.db2.gz KRAMHZZTRRHJKY-MRXNPFEDSA-N 0 0 329.448 2.163 40 0 EEABRN Cc1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096062503 463162906 /nfs/dbraw/zinc/16/29/06/463162906.db2.gz UIUGEGWDBKBVHO-SFHVURJKSA-N 0 0 328.416 2.107 40 0 EEABRN Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cc4cccc(F)c4)C[C@H]3O2)no1 ZINC000096070627 463166192 /nfs/dbraw/zinc/16/61/92/463166192.db2.gz MEAQUTSKXOPABS-NUEKZKHPSA-N 0 0 345.374 2.438 40 0 EEABRN Fc1cccnc1N1CCC[C@]2(CN(c3ccccn3)CCO2)C1 ZINC000096074788 463166848 /nfs/dbraw/zinc/16/68/48/463166848.db2.gz DQIQXAOVEPMUND-SFHVURJKSA-N 0 0 328.391 2.492 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000096073757 463167648 /nfs/dbraw/zinc/16/76/48/463167648.db2.gz FDYHDXULKGKJFP-FZKQIMNGSA-N 0 0 344.390 2.425 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@]1(OC)CCSC1 ZINC000096097683 463172020 /nfs/dbraw/zinc/17/20/20/463172020.db2.gz YTFLLLIYKRCVEF-OAHLLOKOSA-N 0 0 345.486 2.112 40 0 EEABRN Cc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000096099852 463172773 /nfs/dbraw/zinc/17/27/73/463172773.db2.gz DFEXHLJBOVECQT-UHFFFAOYSA-N 0 0 337.470 2.399 40 0 EEABRN CSc1ccc([C@H](O)CNS(=O)(=O)c2cccs2)cc1 ZINC000096103186 463174127 /nfs/dbraw/zinc/17/41/27/463174127.db2.gz RZAFODTYTJQUPJ-GFCCVEGCSA-N 0 0 329.468 2.482 40 0 EEABRN O=C(c1ccco1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104394 463174432 /nfs/dbraw/zinc/17/44/32/463174432.db2.gz ASPTZZYECJRMCW-UHFFFAOYSA-N 0 0 325.773 2.231 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCSC2CCCC2)c1 ZINC000026978945 463179152 /nfs/dbraw/zinc/17/91/52/463179152.db2.gz HVLIGSZDGXDHDU-UHFFFAOYSA-N 0 0 343.470 2.427 40 0 EEABRN COc1cccc(C[C@@H](C)NC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000079035985 463181777 /nfs/dbraw/zinc/18/17/77/463181777.db2.gz LKEXOTZZZGOCRP-OAHLLOKOSA-N 0 0 349.475 2.036 40 0 EEABRN CCc1cnc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC000096158992 463191364 /nfs/dbraw/zinc/19/13/64/463191364.db2.gz LSFJEKSEAPDNMF-UHFFFAOYSA-N 0 0 339.443 2.310 40 0 EEABRN O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2)O1 ZINC000096187268 463199001 /nfs/dbraw/zinc/19/90/01/463199001.db2.gz FUZFSYXQMHIQEO-BRWVUGGUSA-N 0 0 336.382 2.365 40 0 EEABRN Cc1nc(C)n(C[C@@H]2Cn3ccnc3CN(Cc3cccs3)C2)n1 ZINC000096188700 463200563 /nfs/dbraw/zinc/20/05/63/463200563.db2.gz MNYMMWCRQKZEAQ-HNNXBMFYSA-N 0 0 342.472 2.485 40 0 EEABRN CCOCC(=O)N1CCN(Cc2csc(C)n2)c2ncccc2C1 ZINC000096198963 463204237 /nfs/dbraw/zinc/20/42/37/463204237.db2.gz KKCFCSNQKDSNNU-UHFFFAOYSA-N 0 0 346.456 2.232 40 0 EEABRN CC[C@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CC[C@@H]12 ZINC000096207828 463210294 /nfs/dbraw/zinc/21/02/94/463210294.db2.gz VFEXIQPBFZATQH-DAXOMENPSA-N 0 0 325.430 2.131 40 0 EEABRN O=C(CCn1cc(Br)cn1)NCc1ccc(F)cc1 ZINC000027968909 463212260 /nfs/dbraw/zinc/21/22/60/463212260.db2.gz OZYCYJNGKCNTSG-UHFFFAOYSA-N 0 0 326.169 2.491 40 0 EEABRN Cc1nnc(N2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)s1 ZINC000096219220 463216574 /nfs/dbraw/zinc/21/65/74/463216574.db2.gz WQUVEYNVDUVHIZ-HOCLYGCPSA-N 0 0 332.429 2.196 40 0 EEABRN O=C(COc1ccccc1)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028284172 463222536 /nfs/dbraw/zinc/22/25/36/463222536.db2.gz ZLIVRAWJKTZYQF-KBPBESRZSA-N 0 0 348.424 2.188 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccc2)CC12CCOCC2 ZINC000096240768 463225393 /nfs/dbraw/zinc/22/53/93/463225393.db2.gz BMTKZMIJEWNPFO-MRXNPFEDSA-N 0 0 330.428 2.080 40 0 EEABRN CC(C)Nc1nc2c(c(N(C)C)n1)CN(C(=O)c1cscn1)CC2 ZINC000096254041 463228926 /nfs/dbraw/zinc/22/89/26/463228926.db2.gz MVVSGYQYNUNDPO-UHFFFAOYSA-N 0 0 346.460 2.018 40 0 EEABRN Cc1cccc(CN2CCCn3cnc(CN4CCCC4=O)c3C2)n1 ZINC000096259409 463229534 /nfs/dbraw/zinc/22/95/34/463229534.db2.gz YULPIWLCPSVSKQ-UHFFFAOYSA-N 0 0 339.443 2.115 40 0 EEABRN CC[C@H]1CN(C(=O)NCc2nccn2CC(F)(F)F)C[C@H](C)O1 ZINC000096405585 463239531 /nfs/dbraw/zinc/23/95/31/463239531.db2.gz IWVOTPQMZAMZIG-QWRGUYRKSA-N 0 0 334.342 2.154 40 0 EEABRN CC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000096410449 463243881 /nfs/dbraw/zinc/24/38/81/463243881.db2.gz BMBXZWZYEBVXQD-HNNXBMFYSA-N 0 0 327.388 2.023 40 0 EEABRN Cc1oc2ncnc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)c2c1C ZINC000096410947 463244317 /nfs/dbraw/zinc/24/43/17/463244317.db2.gz PMTHZKNWYKYKBE-LBPRGKRZSA-N 0 0 328.372 2.037 40 0 EEABRN CC(C)(C)/C=C/C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096412576 463244602 /nfs/dbraw/zinc/24/46/02/463244602.db2.gz UKBDICFCSZHIPJ-PMGBHYCQSA-N 0 0 336.457 2.200 40 0 EEABRN C[C@H](NS(=O)(=O)CCc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000096428168 463258202 /nfs/dbraw/zinc/25/82/02/463258202.db2.gz LWVIBHYEEFCXSE-GUYCJALGSA-N 0 0 337.416 2.410 40 0 EEABRN CCc1cc(N[C@@H](CO)Cc2c[nH]c3ccccc23)n2ncnc2n1 ZINC000096429846 463259379 /nfs/dbraw/zinc/25/93/79/463259379.db2.gz DBNUJZXQXKNPIL-CQSZACIVSA-N 0 0 336.399 2.184 40 0 EEABRN CC(C)c1cc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)on1 ZINC000096431060 463259917 /nfs/dbraw/zinc/25/99/17/463259917.db2.gz OSUYYLHSOGWPPG-UHFFFAOYSA-N 0 0 340.383 2.326 40 0 EEABRN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccccc2)CO1 ZINC000096433370 463262304 /nfs/dbraw/zinc/26/23/04/463262304.db2.gz FCUFRCYUHWOKBL-ZFWWWQNUSA-N 0 0 344.436 2.467 40 0 EEABRN CNC(=O)Cc1ccc(NC(=O)NCc2nccn2CC(C)C)cc1 ZINC000096433960 463262397 /nfs/dbraw/zinc/26/23/97/463262397.db2.gz IKRQXZCDTSHCNS-UHFFFAOYSA-N 0 0 343.431 2.149 40 0 EEABRN Cc1ccccc1C(=O)N[C@@H](C(=O)/N=c1\sccn1C)C(C)C ZINC000029649601 463266922 /nfs/dbraw/zinc/26/69/22/463266922.db2.gz XSIFOACINXYUET-RMYFCYLKSA-N 0 0 331.441 2.277 40 0 EEABRN O=C(OCCc1ccc(F)cc1)c1cn(Cc2ccccn2)nn1 ZINC000096442071 463267362 /nfs/dbraw/zinc/26/73/62/463267362.db2.gz GSMREIRILVTVJE-UHFFFAOYSA-N 0 0 326.331 2.260 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000096443198 463268008 /nfs/dbraw/zinc/26/80/08/463268008.db2.gz POZBIMDCZAXSKO-UHFFFAOYSA-N 0 0 325.217 2.398 40 0 EEABRN Cc1noc(C)c1C(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096442620 463268527 /nfs/dbraw/zinc/26/85/27/463268527.db2.gz RCLBEJSAKNGIAP-OAHLLOKOSA-N 0 0 328.368 2.497 40 0 EEABRN Cc1ccccc1-c1noc([C@H](C)N2CCCS(=O)(=O)CC2)n1 ZINC000096444343 463270123 /nfs/dbraw/zinc/27/01/23/463270123.db2.gz NXXREXWXRPBGBB-ZDUSSCGKSA-N 0 0 335.429 2.227 40 0 EEABRN Cn1c(CO)cnc1S[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096455736 463275485 /nfs/dbraw/zinc/27/54/85/463275485.db2.gz MFTYWHUGWHKKCY-CYBMUJFWSA-N 0 0 337.832 2.463 40 0 EEABRN Cc1ccoc1C(=O)NC1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000096456615 463276813 /nfs/dbraw/zinc/27/68/13/463276813.db2.gz BFLQTNRVQREAKY-UHFFFAOYSA-N 0 0 346.358 2.467 40 0 EEABRN CC(C)(C)[S@@](=O)CCNC(=O)N1CCN(c2cccs2)CC1 ZINC000096462958 463277765 /nfs/dbraw/zinc/27/77/65/463277765.db2.gz HIVICMRIWOLZSK-JOCHJYFZSA-N 0 0 343.518 2.127 40 0 EEABRN C[C@H]1CN(CCCCNc2ccccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000096481006 463281747 /nfs/dbraw/zinc/28/17/47/463281747.db2.gz NKSNKIZREJBFFY-GJZGRUSLSA-N 0 0 340.489 2.391 40 0 EEABRN CC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1c(C)nn(C)c1C ZINC000096484437 463282532 /nfs/dbraw/zinc/28/25/32/463282532.db2.gz CFPNXMVRGWIZFI-OAHLLOKOSA-N 0 0 344.463 2.448 40 0 EEABRN CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCc3ccccc32)c1CC ZINC000096484166 463282943 /nfs/dbraw/zinc/28/29/43/463282943.db2.gz BABXYWHWRNHROQ-KRWDZBQOSA-N 0 0 340.427 2.381 40 0 EEABRN C[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000096485860 463283709 /nfs/dbraw/zinc/28/37/09/463283709.db2.gz VNNWVKPUVLPSAK-IIMNLJJBSA-N 0 0 330.787 2.379 40 0 EEABRN O=C(CN[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOCC1 ZINC000096491122 463286901 /nfs/dbraw/zinc/28/69/01/463286901.db2.gz BOXWRLJYKWZBOS-CYBMUJFWSA-N 0 0 334.313 2.268 40 0 EEABRN Cn1c(CSc2nnnn2-c2cccc(F)c2)nnc1C1CCC1 ZINC000096501452 463291002 /nfs/dbraw/zinc/29/10/02/463291002.db2.gz UMQCUBCDOLAZLR-UHFFFAOYSA-N 0 0 345.407 2.490 40 0 EEABRN COC[C@H](C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096501199 463291113 /nfs/dbraw/zinc/29/11/13/463291113.db2.gz MZTXWFVWHSOTLI-SECBINFHSA-N 0 0 326.340 2.003 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(N)cc1 ZINC000096519846 463293973 /nfs/dbraw/zinc/29/39/73/463293973.db2.gz IHAQBWKDZVIYQZ-ZJUUUORDSA-N 0 0 342.642 2.024 40 0 EEABRN CN(Cc1ccn(C)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000097095381 463321641 /nfs/dbraw/zinc/32/16/41/463321641.db2.gz JJPYLSXYIOVBPR-CQSZACIVSA-N 0 0 336.233 2.446 40 0 EEABRN O=C(c1cccc2ccccc21)N1CCN(CCC2OCCO2)CC1 ZINC000097094926 463321884 /nfs/dbraw/zinc/32/18/84/463321884.db2.gz FIZGBWHDJFAFOM-UHFFFAOYSA-N 0 0 340.423 2.361 40 0 EEABRN Cc1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)s1 ZINC000097096526 463322677 /nfs/dbraw/zinc/32/26/77/463322677.db2.gz BREJMGKZZDEYOU-UHFFFAOYSA-N 0 0 330.457 2.479 40 0 EEABRN Cc1nc(C(=O)N2CCc3c(Br)ccc(F)c3C2)no1 ZINC000097375670 463356390 /nfs/dbraw/zinc/35/63/90/463356390.db2.gz IKYPCJDCSZYRPK-UHFFFAOYSA-N 0 0 340.152 2.478 40 0 EEABRN Cn1nccc1CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000097378483 463358314 /nfs/dbraw/zinc/35/83/14/463358314.db2.gz ROKGDCHFSIJELB-WBVHZDCISA-N 0 0 328.416 2.182 40 0 EEABRN CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508576 463381110 /nfs/dbraw/zinc/38/11/10/463381110.db2.gz CPCVNKIDSGQCEI-NEPJUHHUSA-N 0 0 330.862 2.040 40 0 EEABRN CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000039985292 463453262 /nfs/dbraw/zinc/45/32/62/463453262.db2.gz AACFXFJDCCPTNE-UHFFFAOYSA-N 0 0 336.388 2.475 40 0 EEABRN CCOC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000082046521 463511929 /nfs/dbraw/zinc/51/19/29/463511929.db2.gz BRSSBYOXGZEQBP-UHFFFAOYSA-N 0 0 330.365 2.450 40 0 EEABRN CC(C)(O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC000083751293 463559744 /nfs/dbraw/zinc/55/97/44/463559744.db2.gz PIIBFGUTRYVJTH-CQSZACIVSA-N 0 0 336.823 2.196 40 0 EEABRN COC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCCCCC1 ZINC000042623978 463579939 /nfs/dbraw/zinc/57/99/39/463579939.db2.gz GBMLFPIYUSWJFY-UHFFFAOYSA-N 0 0 326.418 2.255 40 0 EEABRN COCCN1CCCC2(CCN(C(=O)c3cccs3)CC2)C1=O ZINC000108531725 463609688 /nfs/dbraw/zinc/60/96/88/463609688.db2.gz OYBWXWLRQUEVEZ-UHFFFAOYSA-N 0 0 336.457 2.239 40 0 EEABRN CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000085294865 463644475 /nfs/dbraw/zinc/64/44/75/463644475.db2.gz SUPLSGFFDVXDHK-NWDGAFQWSA-N 0 0 335.347 2.142 40 0 EEABRN CC(=O)N1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000044889998 463698620 /nfs/dbraw/zinc/69/86/20/463698620.db2.gz ACMDWZJFDWPUIU-UHFFFAOYSA-N 0 0 335.454 2.484 40 0 EEABRN C/C=C/c1ccc(OCC(=O)N2CCC(C(=O)NC)CC2)c(OC)c1 ZINC000044892006 463699005 /nfs/dbraw/zinc/69/90/05/463699005.db2.gz JKLOQFFJNKLRLY-SNAWJCMRSA-N 0 0 346.427 2.092 40 0 EEABRN Cc1ccc(NC=c2sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000256055428 463754880 /nfs/dbraw/zinc/75/48/80/463754880.db2.gz GSGYMUOHYIVSBW-UVTDQMKNSA-N 0 0 335.392 2.090 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cccnc1 ZINC000257235476 463758419 /nfs/dbraw/zinc/75/84/19/463758419.db2.gz GYAOOEASOPFXLQ-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1ccc(N2CCC(C)(C(=O)NCc3ccncc3)CC2)nn1 ZINC000257286579 463762508 /nfs/dbraw/zinc/76/25/08/463762508.db2.gz PMCMITRAZGZPCL-UHFFFAOYSA-N 0 0 325.416 2.103 40 0 EEABRN CCc1ccc([C@H]2CCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)o1 ZINC000193955200 463764040 /nfs/dbraw/zinc/76/40/40/463764040.db2.gz MWFHFCTWBTZFLZ-GXTWGEPZSA-N 0 0 342.461 2.176 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)cc1 ZINC000257298712 463767850 /nfs/dbraw/zinc/76/78/50/463767850.db2.gz RMZATRBBENSMKP-MRXNPFEDSA-N 0 0 347.440 2.164 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2cc(C)on2)CCN1C(C)=O ZINC000257301813 463769064 /nfs/dbraw/zinc/76/90/64/463769064.db2.gz RZZRJFNBWMQEGM-QGZVFWFLSA-N 0 0 329.400 2.397 40 0 EEABRN CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)c(C)n1 ZINC000257312067 463773366 /nfs/dbraw/zinc/77/33/66/463773366.db2.gz UMJFWYUQPDPQMZ-KZNAEPCWSA-N 0 0 343.427 2.254 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2Cl)n1 ZINC000257314132 463773514 /nfs/dbraw/zinc/77/35/14/463773514.db2.gz UVLWJDNEDLQYMZ-CYBMUJFWSA-N 0 0 335.791 2.350 40 0 EEABRN Cc1cc(N2CCC3(C[C@@H](Cc4cnccn4)CO3)CC2)ncn1 ZINC000257330108 463780757 /nfs/dbraw/zinc/78/07/57/463780757.db2.gz XMWHRFFTLTWJFR-OAHLLOKOSA-N 0 0 325.416 2.193 40 0 EEABRN Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)s1 ZINC000257331265 463781635 /nfs/dbraw/zinc/78/16/35/463781635.db2.gz XSBOWPWNCQGESN-CKEIUWERSA-N 0 0 348.472 2.078 40 0 EEABRN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257335700 463782790 /nfs/dbraw/zinc/78/27/90/463782790.db2.gz YLLZNEZSLSNBSI-IIDMSEBBSA-N 0 0 330.428 2.439 40 0 EEABRN CCCn1ccnc1CN1CCC[C@H]1c1nccc(CNC(C)=O)n1 ZINC000257341951 463785993 /nfs/dbraw/zinc/78/59/93/463785993.db2.gz ZMOBFTZMZBKKCG-INIZCTEOSA-N 0 0 342.447 2.056 40 0 EEABRN C=Cn1cc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cn1 ZINC000194146226 463801205 /nfs/dbraw/zinc/80/12/05/463801205.db2.gz BGVGRVWPDDXCSD-QGZVFWFLSA-N 0 0 326.400 2.193 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c(=O)c1 ZINC000194777167 463927414 /nfs/dbraw/zinc/92/74/14/463927414.db2.gz LEYMGRLUOMJQMB-DOTOQJQBSA-N 0 0 326.396 2.145 40 0 EEABRN C[C@@H]1CN(CCN(C)C(=O)NCCc2ccsc2)C[C@H](C)O1 ZINC000194882167 463949171 /nfs/dbraw/zinc/94/91/71/463949171.db2.gz GEIWIEOHLWPLHA-OKILXGFUSA-N 0 0 325.478 2.041 40 0 EEABRN Cc1c(C(=O)NCC(C)(C)CNC(=O)c2ccn(C)c2C)ccn1C ZINC000195254064 464025910 /nfs/dbraw/zinc/02/59/10/464025910.db2.gz AIEREYVQFDMDRK-UHFFFAOYSA-N 0 0 344.459 2.166 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000195355213 464046033 /nfs/dbraw/zinc/04/60/33/464046033.db2.gz SHIJBRCBKBOLRF-UHFFFAOYSA-N 0 0 349.456 2.310 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NCc1ccn2ccnc2c1 ZINC000195406593 464050130 /nfs/dbraw/zinc/05/01/30/464050130.db2.gz ZAVKRPJJJPOVNQ-UHFFFAOYSA-N 0 0 331.397 2.130 40 0 EEABRN O=C(N[C@H]1COc2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000195530771 464072416 /nfs/dbraw/zinc/07/24/16/464072416.db2.gz KYEQXUYJPOPEEE-PKOBYXMFSA-N 0 0 338.407 2.137 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570860 464078492 /nfs/dbraw/zinc/07/84/92/464078492.db2.gz LGLXJHLNSRGHSE-FZMZJTMJSA-N 0 0 349.374 2.500 40 0 EEABRN CS(=O)(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000195576307 464080756 /nfs/dbraw/zinc/08/07/56/464080756.db2.gz PHUKNDMPJNCSLK-UHFFFAOYSA-N 0 0 348.262 2.390 40 0 EEABRN Cc1csc(C(=O)N[C@H]2CCC[C@H]2C(N)=O)c1Br ZINC000225414270 464158467 /nfs/dbraw/zinc/15/84/67/464158467.db2.gz ZZXSZNJXTRUYED-SFYZADRCSA-N 0 0 331.235 2.203 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000214342068 464105900 /nfs/dbraw/zinc/10/59/00/464105900.db2.gz YOLKHJVBLDIPPY-CABCVRRESA-N 0 0 329.787 2.123 40 0 EEABRN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 ZINC000218409463 464108789 /nfs/dbraw/zinc/10/87/89/464108789.db2.gz XEEJTCFSMZNRGX-ROUUACIJSA-N 0 0 346.448 2.160 40 0 EEABRN C[C@H](C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)n1cccn1 ZINC000220763372 464119925 /nfs/dbraw/zinc/11/99/25/464119925.db2.gz BLUDSYTXOIZXKV-OLZOCXBDSA-N 0 0 329.404 2.186 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)oc(=O)n2C ZINC000223338193 464140770 /nfs/dbraw/zinc/14/07/70/464140770.db2.gz BAAHZHTZDRCXBN-UHFFFAOYSA-N 0 0 346.408 2.261 40 0 EEABRN CCc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1 ZINC000224172301 464148373 /nfs/dbraw/zinc/14/83/73/464148373.db2.gz IYPOPEVKOOPROX-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN Cc1cccc(CS(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000225257560 464155440 /nfs/dbraw/zinc/15/54/40/464155440.db2.gz UJSYOYAJYZEMHW-OAHLLOKOSA-N 0 0 333.409 2.254 40 0 EEABRN O=C(Cc1ccc(F)cc1F)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225474004 464163417 /nfs/dbraw/zinc/16/34/17/464163417.db2.gz KTRUWCYHQHHJSK-CQSZACIVSA-N 0 0 333.338 2.367 40 0 EEABRN O=C(NCc1ccc([C@H](O)c2ccco2)s1)NC1CCOCC1 ZINC000225556773 464171204 /nfs/dbraw/zinc/17/12/04/464171204.db2.gz XBQFROKLCYTUBJ-OAHLLOKOSA-N 0 0 336.413 2.401 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000225697128 464181148 /nfs/dbraw/zinc/18/11/48/464181148.db2.gz GQGQHTJVMVJSKT-XYPWUTKMSA-N 0 0 344.386 2.039 40 0 EEABRN CC1(C)CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H](C(F)(F)F)O1 ZINC000292497022 464253269 /nfs/dbraw/zinc/25/32/69/464253269.db2.gz XARLNFFGUCKDIO-LLVKDONJSA-N 0 0 344.289 2.303 40 0 EEABRN O=C(NC[C@H]1COC2(CCOCC2)O1)N1CCC[C@@H]1c1ccccc1 ZINC000181027142 464435103 /nfs/dbraw/zinc/43/51/03/464435103.db2.gz PSMKUIXKVOGIAQ-DLBZAZTESA-N 0 0 346.427 2.455 40 0 EEABRN COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C(C)=O)cc1OC ZINC000238754132 464437677 /nfs/dbraw/zinc/43/76/77/464437677.db2.gz HZEOENYXYFFKIU-FICVDOATSA-N 0 0 333.384 2.403 40 0 biogenic EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCCO2)C1 ZINC000239762478 464444442 /nfs/dbraw/zinc/44/44/42/464444442.db2.gz CLPVEBWGLGAAAX-HNNXBMFYSA-N 0 0 334.391 2.161 40 0 EEABRN Cc1noc([C@@H]2CN(S(=O)(=O)C3CC3)C[C@H]2c2ccccc2)n1 ZINC000240104288 464444945 /nfs/dbraw/zinc/44/49/45/464444945.db2.gz UOONWJMAOSDWLZ-LSDHHAIUSA-N 0 0 333.413 2.053 40 0 EEABRN Cn1nccc1S(=O)(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000240540866 464446576 /nfs/dbraw/zinc/44/65/76/464446576.db2.gz GPVBTWKXYADLDN-MRXNPFEDSA-N 0 0 346.387 2.022 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(F)cc1 ZINC000242574894 464457501 /nfs/dbraw/zinc/45/75/01/464457501.db2.gz NIFZYICKKJILOA-NFAWXSAZSA-N 0 0 345.461 2.035 40 0 EEABRN C[C@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000189598365 464532124 /nfs/dbraw/zinc/53/21/24/464532124.db2.gz QWJIDHONJLTVOT-SCLBCKFNSA-N 0 0 349.479 2.306 40 0 EEABRN Cc1cc(CC(=O)N2CCN(c3cncc4ccccc43)CC2)[nH]n1 ZINC000190401119 464636816 /nfs/dbraw/zinc/63/68/16/464636816.db2.gz QCMYBRLXCQVEPR-UHFFFAOYSA-N 0 0 335.411 2.158 40 0 EEABRN COc1ccc(SCCC(=O)NC2=NCCS2)cc1OC ZINC000265796082 464689902 /nfs/dbraw/zinc/68/99/02/464689902.db2.gz PKUAAONTLVLMPX-UHFFFAOYSA-N 0 0 326.443 2.405 40 0 EEABRN COc1ccccc1N1CC[C@H](CNC(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000176066034 464692269 /nfs/dbraw/zinc/69/22/69/464692269.db2.gz UKPJGEUXTWVISF-CVEARBPZSA-N 0 0 347.459 2.199 40 0 EEABRN c1ccc(CO[C@@H]2CCOC3(CN(Cc4ccccn4)C3)C2)nc1 ZINC000247956523 464716388 /nfs/dbraw/zinc/71/63/88/464716388.db2.gz OMOCRJYKKWPPHW-GOSISDBHSA-N 0 0 325.412 2.427 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247944171 464716699 /nfs/dbraw/zinc/71/66/99/464716699.db2.gz QJTYZHYWVJXTRY-OAHLLOKOSA-N 0 0 348.468 2.225 40 0 EEABRN Cc1cc(CN2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)no1 ZINC000247950862 464716782 /nfs/dbraw/zinc/71/67/82/464716782.db2.gz YFAVAMDGLBKXSC-MRXNPFEDSA-N 0 0 343.431 2.043 40 0 EEABRN Cc1cc(NC(=O)N[C@@]2(CO)CCOC2)cnc1N1CCCC[C@@H]1C ZINC000273479661 464718528 /nfs/dbraw/zinc/71/85/28/464718528.db2.gz LBNMQCCUABRIOW-KBXCAEBGSA-N 0 0 348.447 2.042 40 0 EEABRN CC(C)CN1C[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000248028877 464723597 /nfs/dbraw/zinc/72/35/97/464723597.db2.gz NIURHWQOQNXQCW-MSOLQXFVSA-N 0 0 343.471 2.006 40 0 EEABRN CN(C)c1ncccc1CNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000190985840 464756328 /nfs/dbraw/zinc/75/63/28/464756328.db2.gz WZZYMYUUSAPHEU-SFHVURJKSA-N 0 0 334.464 2.278 40 0 EEABRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccncc1 ZINC000191151526 464785843 /nfs/dbraw/zinc/78/58/43/464785843.db2.gz XAQIZDZMNVZFIZ-MRXNPFEDSA-N 0 0 345.349 2.281 40 0 EEABRN Cn1cc([C@H]2CSCCN2Cc2nnc(-c3ccco3)o2)cn1 ZINC000191209637 464797758 /nfs/dbraw/zinc/79/77/58/464797758.db2.gz OTSZIZOMWNEHMI-GFCCVEGCSA-N 0 0 331.401 2.353 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000266845759 464843300 /nfs/dbraw/zinc/84/33/00/464843300.db2.gz XWWNSAPACKTFIO-QGZVFWFLSA-N 0 0 328.416 2.320 40 0 EEABRN CC[C@](O)(CNC(=O)C1(O)CCC1)c1ccc(Br)cc1 ZINC000184364066 464969729 /nfs/dbraw/zinc/96/97/29/464969729.db2.gz NIWUQDBOKGKZLJ-AWEZNQCLSA-N 0 0 342.233 2.078 40 0 EEABRN CC(C)SCCN1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000252480305 464960994 /nfs/dbraw/zinc/96/09/94/464960994.db2.gz BZOIXJMQVYGCGZ-SJORKVTESA-N 0 0 341.565 2.441 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@H](C)c3ccccc3)c2C)no1 ZINC000252482855 464961721 /nfs/dbraw/zinc/96/17/21/464961721.db2.gz DPDFIUPWECLBSN-SNVBAGLBSA-N 0 0 341.375 2.209 40 0 EEABRN CCC1(CNC(=O)NCc2ccnc(N3CCOCC3)c2)CCC1 ZINC000177263153 464972633 /nfs/dbraw/zinc/97/26/33/464972633.db2.gz LGJQHZYAACINBA-UHFFFAOYSA-N 0 0 332.448 2.298 40 0 EEABRN C[C@@H](O)CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000252505088 464973843 /nfs/dbraw/zinc/97/38/43/464973843.db2.gz VOBQAIJXVKPJCE-ZCFIWIBFSA-N 0 0 342.111 2.458 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC[C@H]1CCCCO1 ZINC000253370107 464994870 /nfs/dbraw/zinc/99/48/70/464994870.db2.gz MHEBYHLYXMXHKZ-DQMOJMCFSA-N 0 0 330.494 2.325 40 0 EEABRN CC(C)n1cnc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000253395873 465000971 /nfs/dbraw/zinc/00/09/71/465000971.db2.gz UMLFTJKGWDAVEF-CYBMUJFWSA-N 0 0 337.370 2.323 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)Cc2nc[nH]n2)cc1C(C)C ZINC000253416290 465004862 /nfs/dbraw/zinc/00/48/62/465004862.db2.gz TUDLJQDFDBVFAK-UHFFFAOYSA-N 0 0 338.433 2.066 40 0 EEABRN Cc1cccc([C@H](C)NC(=O)[C@@H](CO)NC(=O)c2ccccc2)c1C ZINC000253417699 465006399 /nfs/dbraw/zinc/00/63/99/465006399.db2.gz DUHGAIZDUZFNJZ-MAUKXSAKSA-N 0 0 340.423 2.272 40 0 EEABRN CCc1cc(N2CCC(Nc3ncnc(N)c3Cl)CC2)ncn1 ZINC000253426725 465011224 /nfs/dbraw/zinc/01/12/24/465011224.db2.gz VVDVJKOPCREQBK-UHFFFAOYSA-N 0 0 333.827 2.146 40 0 EEABRN O=C(c1ccnn1CC(F)F)N1CCCCC[C@@H]1c1ncon1 ZINC000253428452 465012442 /nfs/dbraw/zinc/01/24/42/465012442.db2.gz QFECFLOCJOFJJZ-SNVBAGLBSA-N 0 0 325.319 2.289 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000253473146 465016197 /nfs/dbraw/zinc/01/61/97/465016197.db2.gz RTFWEVDELQACLZ-HNNXBMFYSA-N 0 0 346.456 2.408 40 0 EEABRN Cc1cc(Br)c2c(c1)CN(c1cncc(C(N)=O)n1)CC2 ZINC000302418518 466138060 /nfs/dbraw/zinc/13/80/60/466138060.db2.gz MNXRRTSREVGYBW-UHFFFAOYSA-N 0 0 347.216 2.209 40 0 EEABRN CCCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 ZINC000306125026 466487359 /nfs/dbraw/zinc/48/73/59/466487359.db2.gz CEVHPBNOHWIWAX-INIZCTEOSA-N 0 0 345.443 2.009 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132483 466490808 /nfs/dbraw/zinc/49/08/08/466490808.db2.gz LKQMLFBCBCNVHL-GOSISDBHSA-N 0 0 337.427 2.388 40 0 EEABRN c1cnc(N2CCC[C@]3(CN(Cc4cccnc4)CCO3)CC2)nc1 ZINC000306140729 466494662 /nfs/dbraw/zinc/49/46/62/466494662.db2.gz VCHOCVNRGSRLGJ-LJQANCHMSA-N 0 0 339.443 2.133 40 0 EEABRN COc1nc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2s1 ZINC000390834218 467414516 /nfs/dbraw/zinc/41/45/16/467414516.db2.gz UTWWLHFZIJXFIF-UHFFFAOYSA-N 0 0 333.329 2.199 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ccncc2)CC1 ZINC000575413817 468142368 /nfs/dbraw/zinc/14/23/68/468142368.db2.gz NAVJDIFKSSHJBF-UHFFFAOYSA-N 0 0 328.416 2.424 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C1 ZINC000601045867 468729691 /nfs/dbraw/zinc/72/96/91/468729691.db2.gz ZHSSTDXTVGDGCT-CYBMUJFWSA-N 0 0 345.399 2.476 40 0 EEABRN COCc1nnc2n1CCN(C(=O)CCc1ccccc1C)[C@@H](C)C2 ZINC000585097913 468965841 /nfs/dbraw/zinc/96/58/41/468965841.db2.gz OYNYTEWESAMXFJ-HNNXBMFYSA-N 0 0 342.443 2.139 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)COCCN(Cc2ncccc2C)C1 ZINC000585275277 468999762 /nfs/dbraw/zinc/99/97/62/468999762.db2.gz BVAQNANFYYCCFF-FQEVSTJZSA-N 0 0 342.439 2.341 40 0 EEABRN CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1c(F)cccc1Cl ZINC000585279821 469006375 /nfs/dbraw/zinc/00/63/75/469006375.db2.gz ZIUCIHLGRPANLH-MRXNPFEDSA-N 0 0 342.798 2.236 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C[C@H]2O)c1 ZINC000585289813 469010717 /nfs/dbraw/zinc/01/07/17/469010717.db2.gz KDANQIQTBDSBBL-LXORQPIJSA-N 0 0 339.439 2.194 40 0 EEABRN O=C(NCc1cnn2ccccc12)NC[C@@H]1Cc2ccccc2CO1 ZINC000624043832 469824725 /nfs/dbraw/zinc/82/47/25/469824725.db2.gz AVDWSFJBWGEHEN-KRWDZBQOSA-N 0 0 336.395 2.275 40 0 EEABRN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(-c3ccccc3)o2)C1 ZINC000096473695 526665296 /nfs/dbraw/zinc/66/52/96/526665296.db2.gz GZESWQJILFCEJE-HNNXBMFYSA-N 0 0 327.384 2.367 40 0 EEABRN CC(=O)NC(C)(C)c1noc(-c2cc(C)nc(C(F)(F)F)n2)n1 ZINC000186940219 526689461 /nfs/dbraw/zinc/68/94/61/526689461.db2.gz PCCZMXQWKGLGQP-UHFFFAOYSA-N 0 0 329.282 2.225 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C ZINC000408606085 527025583 /nfs/dbraw/zinc/02/55/83/527025583.db2.gz LMONLAGEZYZFJN-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN CC(C)CNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949776 535149927 /nfs/dbraw/zinc/14/99/27/535149927.db2.gz DWIQQXOACQPPFR-CYBMUJFWSA-N 0 0 332.853 2.093 40 0 EEABRN CCc1nnsc1C(=O)N1CCC[C@H]1c1cc(NC)nc(C)n1 ZINC000257333790 535864889 /nfs/dbraw/zinc/86/48/89/535864889.db2.gz YDAYGHWLXPDMJJ-LBPRGKRZSA-N 0 0 332.433 2.218 40 0 EEABRN CCc1nnsc1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257216571 535865293 /nfs/dbraw/zinc/86/52/93/535865293.db2.gz CVCKVIJPSCYMAJ-LLVKDONJSA-N 0 0 346.460 2.027 40 0 EEABRN COc1ccccc1OCc1cn(CC(=O)N2CCC[C@@H](C)C2)nn1 ZINC000227160515 537098594 /nfs/dbraw/zinc/09/85/94/537098594.db2.gz GIFHMJOGVDSAEV-CQSZACIVSA-N 0 0 344.415 2.124 40 0 EEABRN Cc1cc(C)nc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c1 ZINC000899484878 693755357 /nfs/dbraw/zinc/75/53/57/693755357.db2.gz YIWFWYMZHCLAON-UHFFFAOYSA-N 0 0 333.335 2.425 40 0 EEABRN CCc1onc(C)c1CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000931158939 1206611714 /nfs/dbraw/zinc/61/17/14/1206611714.db2.gz UXYWZVXMTVETHN-GFCCVEGCSA-N 0 0 347.419 2.495 40 0 EEABRN CCNc1nc(OC)nc(Oc2ccc(OCCC(C)C)nn2)n1 ZINC000016855459 1352355139 /nfs/dbraw/zinc/35/51/39/1352355139.db2.gz UQTACGLPHMNVHN-UHFFFAOYSA-N 0 0 334.380 2.319 40 0 EEABRN CCCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 ZINC000004093389 1350563763 /nfs/dbraw/zinc/56/37/63/1350563763.db2.gz AOMLCDDHEOMMGC-UHFFFAOYSA-N 0 0 337.379 2.442 40 0 EEABRN Cc1ccc(Cl)c2sc(N3CCN(S(C)(=O)=O)CC3)nc21 ZINC000056906079 214394567 /nfs/dbraw/zinc/39/45/67/214394567.db2.gz KCQOAFFQKAABDX-UHFFFAOYSA-N 0 0 345.877 2.340 40 0 EEABRN CCOc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)cc1OCC ZINC000059886658 214624890 /nfs/dbraw/zinc/62/48/90/214624890.db2.gz XPAPFUFPLYFYQN-ZDUSSCGKSA-N 0 0 334.416 2.225 40 0 EEABRN COCCC(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 ZINC000100216416 219094199 /nfs/dbraw/zinc/09/41/99/219094199.db2.gz URUPBDHJYWBHIM-OKILXGFUSA-N 0 0 330.432 2.395 40 0 EEABRN CC(C)c1ccc(N2CCN(CC(=O)N3CCC(O)CC3)C2=O)cc1 ZINC000049026365 213977201 /nfs/dbraw/zinc/97/72/01/213977201.db2.gz PXUIBVQEAOZLBS-UHFFFAOYSA-N 0 0 345.443 2.035 40 0 EEABRN CCOC(=O)CNC(=O)CSc1cc(C)nc2ccc(OC)cc21 ZINC000004126903 210128241 /nfs/dbraw/zinc/12/82/41/210128241.db2.gz FDBVHNMUHVYSHA-UHFFFAOYSA-N 0 0 348.424 2.323 40 0 EEABRN CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000003844193 210078706 /nfs/dbraw/zinc/07/87/06/210078706.db2.gz IBVVUILUZISAHF-CQSZACIVSA-N 0 0 334.372 2.285 40 0 EEABRN CN(C(=O)c1cccnc1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000044889014 213658290 /nfs/dbraw/zinc/65/82/90/213658290.db2.gz ZIWGNAIKVSZGNR-ZDUSSCGKSA-N 0 0 346.408 2.133 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)Sc2ccccc2NC1=O ZINC000040774295 213384882 /nfs/dbraw/zinc/38/48/82/213384882.db2.gz UJSDXTRKIWMCEI-KRWDZBQOSA-N 0 0 344.440 2.156 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)no1 ZINC000039519445 213239815 /nfs/dbraw/zinc/23/98/15/213239815.db2.gz RTGWKPCZOVBDMV-QILLFSRXSA-N 0 0 348.491 2.042 40 0 EEABRN COc1cc2nc(C3CCC3)n(NC(=O)C(C)C)c(=O)c2cc1OC ZINC000001365171 209731495 /nfs/dbraw/zinc/73/14/95/209731495.db2.gz MEXQVTPUVRSCQX-UHFFFAOYSA-N 0 0 345.399 2.407 40 0 EEABRN Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccnn3C)c12 ZINC000036617336 213103605 /nfs/dbraw/zinc/10/36/05/213103605.db2.gz MTZITTHHEZDDRR-UHFFFAOYSA-N 0 0 337.339 2.455 40 0 EEABRN C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(N)=O ZINC000187377579 236194114 /nfs/dbraw/zinc/19/41/14/236194114.db2.gz UCTSHBJNBOIJFL-QMMMGPOBSA-N 0 0 342.273 2.449 40 0 EEABRN CC(=O)c1ccc(NC(=O)CSc2nnc3ncccn32)cc1 ZINC000035312378 213019185 /nfs/dbraw/zinc/01/91/85/213019185.db2.gz BGBNZCHEZMMUJQ-UHFFFAOYSA-N 0 0 327.369 2.058 40 0 EEABRN NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000072056714 216000698 /nfs/dbraw/zinc/00/06/98/216000698.db2.gz LYMQREIOZNKMJB-CVEARBPZSA-N 0 0 348.399 2.356 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCCc2ccccc2)cc1 ZINC000030855676 212712991 /nfs/dbraw/zinc/71/29/91/212712991.db2.gz KTURKOITIQJOGD-UHFFFAOYSA-N 0 0 333.409 2.135 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)CSc1ccncc1 ZINC000072324193 216151523 /nfs/dbraw/zinc/15/15/23/216151523.db2.gz SMESOIBCMQTMED-GFCCVEGCSA-N 0 0 327.413 2.123 40 0 EEABRN CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)c1cccs1 ZINC000072324150 216151549 /nfs/dbraw/zinc/15/15/49/216151549.db2.gz GWFQPZDVFPMMFY-LLVKDONJSA-N 0 0 328.397 2.062 40 0 EEABRN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccc2C)cc1 ZINC000072321713 216150369 /nfs/dbraw/zinc/15/03/69/216150369.db2.gz ZZTRXYGFGXHTOJ-NCXUSEDFSA-N 0 0 341.407 2.011 40 0 biogenic,in-vitro EEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cncc(C)n3)C2)cc1 ZINC000072369426 216176376 /nfs/dbraw/zinc/17/63/76/216176376.db2.gz DTRBODHLFHPEGL-CQSZACIVSA-N 0 0 347.440 2.362 40 0 EEABRN NC(=O)c1ccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)cc1 ZINC000072379597 216180676 /nfs/dbraw/zinc/18/06/76/216180676.db2.gz UDIXATWODAVLHA-INIZCTEOSA-N 0 0 346.394 2.374 40 0 EEABRN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2CC(N)=O)n1 ZINC000072383597 216184456 /nfs/dbraw/zinc/18/44/56/216184456.db2.gz MNTMCAGNBAILPL-ZDUSSCGKSA-N 0 0 330.363 2.339 40 0 EEABRN CC1=Nc2ncnn2[C@H](c2ccc3c(c2)OCO3)C1C(=O)OC(C)C ZINC000000147865 209450536 /nfs/dbraw/zinc/45/05/36/209450536.db2.gz GCIJHPCKZKETNB-OAHLLOKOSA-N 0 0 342.355 2.247 40 0 EEABRN C[NH+](C)[C@@H](CNC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000072401250 216193991 /nfs/dbraw/zinc/19/39/91/216193991.db2.gz JUFLYIZPSNNLCS-BFHYXJOUSA-N 0 0 338.835 2.416 40 0 EEABRN CC(=O)N[C@@H](C(=O)N1C[C@H](n2cccn2)Cc2ccccc21)C(C)C ZINC000072527265 216269329 /nfs/dbraw/zinc/26/93/29/216269329.db2.gz WVVJIGWAEVLXHU-SJLPKXTDSA-N 0 0 340.427 2.174 40 0 EEABRN CN1CC[C@H](C(=O)NCCCO[C@H]2CCCc3ccccc32)CC1=O ZINC000072673814 216289575 /nfs/dbraw/zinc/28/95/75/216289575.db2.gz YJKWQRAOMOUXRA-WMZOPIPTSA-N 0 0 344.455 2.455 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1 ZINC000073117505 216352082 /nfs/dbraw/zinc/35/20/82/216352082.db2.gz SRGHFCBHEQIIHL-ZDUSSCGKSA-N 0 0 335.448 2.394 40 0 EEABRN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)CC(=O)Nc1ccc(C)cn1 ZINC000073262794 216370251 /nfs/dbraw/zinc/37/02/51/216370251.db2.gz AOJHMBXWUWQCQR-GFCCVEGCSA-N 0 0 343.431 2.006 40 0 EEABRN COC(=O)C1=C(N2CCCC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000001591007 283744746 /nfs/dbraw/zinc/74/47/46/283744746.db2.gz WEPFRJIQIIGTEM-FZKQIMNGSA-N 0 0 345.420 2.324 40 0 in-vivo EEABRN COc1ccc(C)cc1S(=O)(=O)NC[C@](C)(O)c1cccs1 ZINC000075156053 216587538 /nfs/dbraw/zinc/58/75/38/216587538.db2.gz WBKFGUZCCVCUDM-HNNXBMFYSA-N 0 0 341.454 2.251 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000195192548 240867215 /nfs/dbraw/zinc/86/72/15/240867215.db2.gz VWNBNAMOAQMKGS-TUKIKUTGSA-N 0 0 342.436 2.146 40 0 EEABRN O=C(NCc1c(F)cccc1OC(F)F)NC[C@H]1CC[C@H](O)C1 ZINC000195578373 241023971 /nfs/dbraw/zinc/02/39/71/241023971.db2.gz FDUJRSSOPSGFRY-UWVGGRQHSA-N 0 0 332.322 2.387 40 0 EEABRN O=C1C(Br)=C(Br)CN1Cc1ccccn1 ZINC000217580667 241261478 /nfs/dbraw/zinc/26/14/78/241261478.db2.gz NIOYGKRWABNQBT-UHFFFAOYSA-N 0 0 331.995 2.425 40 0 EEABRN COC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598812 241333394 /nfs/dbraw/zinc/33/33/94/241333394.db2.gz BKDRSCVPSOMDNX-OKZBNKHCSA-N 0 0 349.427 2.418 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2=CCCCC2)cc1 ZINC000224281342 241746202 /nfs/dbraw/zinc/74/62/02/241746202.db2.gz LMHASCVCYPOCPV-UHFFFAOYSA-N 0 0 336.457 2.232 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2nccc(N)n2)[C@H](C)C1 ZINC000225649774 241969357 /nfs/dbraw/zinc/96/93/57/241969357.db2.gz IRLPKVLGEFTFKS-OAHLLOKOSA-N 0 0 341.459 2.164 40 0 EEABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CCCC1 ZINC000225729765 242006656 /nfs/dbraw/zinc/00/66/56/242006656.db2.gz BXBNNTQTKJCJLI-UHFFFAOYSA-N 0 0 335.201 2.386 40 0 EEABRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)CC(C)(C)O ZINC000225767125 242027054 /nfs/dbraw/zinc/02/70/54/242027054.db2.gz ANTGXQDWRCBVET-GFCCVEGCSA-N 0 0 346.880 2.385 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)ccc1F ZINC000241795497 243003227 /nfs/dbraw/zinc/00/32/27/243003227.db2.gz RZQJVADIWZIOMQ-STQMWFEESA-N 0 0 349.406 2.418 40 0 EEABRN O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](n2cccn2)C1 ZINC000241837506 243003698 /nfs/dbraw/zinc/00/36/98/243003698.db2.gz SKSJPAHDAHMGFT-INIZCTEOSA-N 0 0 336.399 2.000 40 0 EEABRN O=C(c1cnccn1)N1CC2(C1)C[C@H](OCC1CCCC1)CS2 ZINC000247885370 243472971 /nfs/dbraw/zinc/47/29/71/243472971.db2.gz WXZMAIKNXTUVBR-AWEZNQCLSA-N 0 0 333.457 2.384 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)s1 ZINC000248058119 243513296 /nfs/dbraw/zinc/51/32/96/243513296.db2.gz ZDZQOOPISGIBOU-CYBMUJFWSA-N 0 0 332.429 2.306 40 0 EEABRN COCC1(NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCC1 ZINC000252495625 243811138 /nfs/dbraw/zinc/81/11/38/243811138.db2.gz OUQVYMSOJXTFLE-UHFFFAOYSA-N 0 0 326.418 2.089 40 0 EEABRN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(N(C)C)c2ccccc2n1 ZINC000253408042 243916886 /nfs/dbraw/zinc/91/68/86/243916886.db2.gz TZLHBPJVDMVUSR-DAOPMYJZSA-N 0 0 333.457 2.140 40 0 EEABRN CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)c3ccoc3)C2)c(=O)c1 ZINC000253394496 243893156 /nfs/dbraw/zinc/89/31/56/243893156.db2.gz GFQYKWJSMLHMPB-OAHLLOKOSA-N 0 0 344.415 2.158 40 0 EEABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1CCOCC1 ZINC000020481763 212136877 /nfs/dbraw/zinc/13/68/77/212136877.db2.gz BBLMCJVXSCUVGU-INIZCTEOSA-N 0 0 334.460 2.416 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)on1 ZINC000253599994 244032034 /nfs/dbraw/zinc/03/20/34/244032034.db2.gz BOPAOAZSVATJNX-AWEZNQCLSA-N 0 0 343.383 2.078 40 0 EEABRN Cc1cnc(N2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@H]32)nc1 ZINC000253600545 244035219 /nfs/dbraw/zinc/03/52/19/244035219.db2.gz RLGOQWHFLBRYIB-DJIMGWMZSA-N 0 0 325.416 2.276 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2C(=O)CCc2cccnc2)n1 ZINC000257200913 244117058 /nfs/dbraw/zinc/11/70/58/244117058.db2.gz AFIJYOSTCKGFPU-MRXNPFEDSA-N 0 0 325.416 2.234 40 0 EEABRN COc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)c(O)c1 ZINC000257204048 244127335 /nfs/dbraw/zinc/12/73/35/244127335.db2.gz ASVSLGWWDCVUEZ-KBAYOESNSA-N 0 0 343.379 2.102 40 0 EEABRN Cn1ccnc1-c1cnc(CC2CCN(c3cnccn3)CC2)cn1 ZINC000257217723 244174767 /nfs/dbraw/zinc/17/47/67/244174767.db2.gz DAHUQGOOWMHSBH-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN Cc1nc2sccn2c1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257209969 244146617 /nfs/dbraw/zinc/14/66/17/244146617.db2.gz BSOOFIVYEZKFNM-HZPDHXFCSA-N 0 0 329.425 2.328 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257225201 244198126 /nfs/dbraw/zinc/19/81/26/244198126.db2.gz FFGZKMKBFHZISF-ZDUSSCGKSA-N 0 0 347.382 2.249 40 0 EEABRN O=C(c1ccnnc1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257240608 244241136 /nfs/dbraw/zinc/24/11/36/244241136.db2.gz HUHKHOFKSSVOEO-INIZCTEOSA-N 0 0 348.406 2.356 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccsc1 ZINC000257252193 244270257 /nfs/dbraw/zinc/27/02/57/244270257.db2.gz JTWMFBGRSXRGAA-LLVKDONJSA-N 0 0 339.442 2.242 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253723 244276253 /nfs/dbraw/zinc/27/62/53/244276253.db2.gz JZZVXJLYOWHYGU-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCOC[C@H]1CCc1nccnc1C ZINC000257260912 244347953 /nfs/dbraw/zinc/34/79/53/244347953.db2.gz LFABQUINXZFCHT-CQSZACIVSA-N 0 0 344.415 2.118 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)no1 ZINC000257272078 244381143 /nfs/dbraw/zinc/38/11/43/244381143.db2.gz NAZRUCTXZQFXCU-CQSZACIVSA-N 0 0 340.383 2.191 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000257273405 244387050 /nfs/dbraw/zinc/38/70/50/244387050.db2.gz NGLHLQBJUPELAC-ZDUSSCGKSA-N 0 0 330.413 2.152 40 0 EEABRN O=C(CCc1cccnc1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257274791 244389554 /nfs/dbraw/zinc/38/95/54/244389554.db2.gz NMRHTLVJWBHNIV-UHFFFAOYSA-N 0 0 335.411 2.463 40 0 EEABRN O=S(=O)(Cc1cccc(F)c1)c1nnc(N2CCCC2)s1 ZINC000077536765 216931857 /nfs/dbraw/zinc/93/18/57/216931857.db2.gz RHZADVYUEMSRDC-UHFFFAOYSA-N 0 0 327.406 2.251 40 0 EEABRN NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccccc1 ZINC000019697235 212055527 /nfs/dbraw/zinc/05/55/27/212055527.db2.gz URKKZWONYLORIJ-UHFFFAOYSA-N 0 0 346.390 2.215 40 0 EEABRN CN(C)c1ccc(CCNC(=O)c2c3c(nn2C)CCCC3)cc1 ZINC000019656537 212052428 /nfs/dbraw/zinc/05/24/28/212052428.db2.gz KGGMIMYMKNXUTJ-UHFFFAOYSA-N 0 0 326.444 2.337 40 0 EEABRN Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cn2cccn2)o1 ZINC000019562943 212042817 /nfs/dbraw/zinc/04/28/17/212042817.db2.gz VFNQVCYCYHXPKS-NSHDSACASA-N 0 0 344.400 2.062 40 0 EEABRN Cn1cc(C(=O)COc2cccc(I)c2)cn1 ZINC000078055844 217016535 /nfs/dbraw/zinc/01/65/35/217016535.db2.gz WFVILPFUTIUWFG-UHFFFAOYSA-N 0 0 342.136 2.286 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000019117798 212000652 /nfs/dbraw/zinc/00/06/52/212000652.db2.gz QUVXRQIHRPNECI-CYBMUJFWSA-N 0 0 341.367 2.239 40 0 EEABRN C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000019169778 212002902 /nfs/dbraw/zinc/00/29/02/212002902.db2.gz JWCIWARLRKCBTO-CYBMUJFWSA-N 0 0 332.425 2.144 40 0 EEABRN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000078393906 217046881 /nfs/dbraw/zinc/04/68/81/217046881.db2.gz VRYALDHQSQHEEO-MRXNPFEDSA-N 0 0 341.411 2.480 40 0 EEABRN Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000078395034 217048084 /nfs/dbraw/zinc/04/80/84/217048084.db2.gz FYTZUWDGIWPPAA-QGZVFWFLSA-N 0 0 349.390 2.476 40 0 EEABRN COc1cccc(Cc2nnc(NC(=O)NC[C@@H]3CCOC3)s2)c1 ZINC000078657500 217096408 /nfs/dbraw/zinc/09/64/08/217096408.db2.gz LRFVIYKNWGQOKL-LBPRGKRZSA-N 0 0 348.428 2.296 40 0 EEABRN COc1ccc(-c2noc(Cn3ccc(C(F)(F)F)n3)n2)cn1 ZINC000078774758 217118720 /nfs/dbraw/zinc/11/87/20/217118720.db2.gz YBPHQVNRLXDKRV-UHFFFAOYSA-N 0 0 325.250 2.404 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000078777168 217120682 /nfs/dbraw/zinc/12/06/82/217120682.db2.gz HHHFYPJHQIOTAK-VXGBXAGGSA-N 0 0 332.429 2.098 40 0 EEABRN CCOC(=O)c1cnn(CC(=O)N[C@H](C)c2ccco2)c1C(F)F ZINC000078995688 217168803 /nfs/dbraw/zinc/16/88/03/217168803.db2.gz XFIKNSWYQUMBBD-SECBINFHSA-N 0 0 341.314 2.468 40 0 EEABRN Cc1noc(Cl)c1CC(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC000079350035 217212776 /nfs/dbraw/zinc/21/27/76/217212776.db2.gz YYDDAAXXEYQUEU-HNNXBMFYSA-N 0 0 344.745 2.481 40 0 EEABRN Cc1ccc(CNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cn1 ZINC000079355135 217214206 /nfs/dbraw/zinc/21/42/06/217214206.db2.gz DSCDVLNKVJXZIH-INIZCTEOSA-N 0 0 339.443 2.373 40 0 EEABRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)Cn1cncn1 ZINC000079603836 217242705 /nfs/dbraw/zinc/24/27/05/217242705.db2.gz ZIXWXMXJMDGFKR-LLVKDONJSA-N 0 0 344.806 2.244 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000079603420 217243458 /nfs/dbraw/zinc/24/34/58/217243458.db2.gz KHKHWMWDJHFNNN-JTQLQIEISA-N 0 0 340.225 2.242 40 0 EEABRN Cc1ncc(CN(C)C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)s1 ZINC000079630291 217244726 /nfs/dbraw/zinc/24/47/26/217244726.db2.gz PNWHLPSXZFZPGF-LLVKDONJSA-N 0 0 342.428 2.325 40 0 EEABRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC1CCC(O)CC1 ZINC000081223768 217370695 /nfs/dbraw/zinc/37/06/95/217370695.db2.gz JPWGBBFQLQGKKS-PIMMBPRGSA-N 0 0 330.350 2.299 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)cc2[nH]1 ZINC000012362246 211355026 /nfs/dbraw/zinc/35/50/26/211355026.db2.gz RUVAZAHVHDVYBR-CYBMUJFWSA-N 0 0 343.408 2.034 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)COc1ncnc2ccccc21 ZINC000012198245 211318349 /nfs/dbraw/zinc/31/83/49/211318349.db2.gz SBHFYJFTZXRGBV-SNVBAGLBSA-N 0 0 325.372 2.226 40 0 EEABRN CCn1c2cc(C)oc2c2cnn(CC(=O)NC3CCCC3)c(=O)c21 ZINC000012183660 211312084 /nfs/dbraw/zinc/31/20/84/211312084.db2.gz OCZKVFUSEOECFO-UHFFFAOYSA-N 0 0 342.399 2.331 40 0 EEABRN CN(C)c1ccnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1 ZINC000091458332 218008708 /nfs/dbraw/zinc/00/87/08/218008708.db2.gz QUECNERUVWGDGL-UHFFFAOYSA-N 0 0 346.479 2.143 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OC ZINC000010008767 211139197 /nfs/dbraw/zinc/13/91/97/211139197.db2.gz ANUUKNCNDXKNRO-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN CCOC(=O)c1nnn(-c2nccs2)c1-c1ccc2c(c1)OCO2 ZINC000094988214 218272055 /nfs/dbraw/zinc/27/20/55/218272055.db2.gz HCSVKHRLNDPMFJ-UHFFFAOYSA-N 0 0 344.352 2.296 40 0 EEABRN O=C(c1cocn1)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1 ZINC000247850087 296296416 /nfs/dbraw/zinc/29/64/16/296296416.db2.gz ILSUHOSNELNVGK-OAHLLOKOSA-N 0 0 330.388 2.103 40 0 EEABRN Cc1cc(C)c(C)c(OCCCNC(=O)C(C)(C)S(C)(=O)=O)c1 ZINC000095396283 218327759 /nfs/dbraw/zinc/32/77/59/218327759.db2.gz GVASHULDTFMABZ-UHFFFAOYSA-N 0 0 341.473 2.320 40 0 EEABRN CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396400 218327836 /nfs/dbraw/zinc/32/78/36/218327836.db2.gz LXNAXXBGOBJLIM-RISCZKNCSA-N 0 0 339.457 2.401 40 0 EEABRN C[C@@H](O)C[C@H](C)CNC(=O)Nc1cccc(Cn2ccccc2=O)c1 ZINC000095400306 218334508 /nfs/dbraw/zinc/33/45/08/218334508.db2.gz WVZSROJNBRCNAF-LSDHHAIUSA-N 0 0 343.427 2.425 40 0 EEABRN CN1CCN(C(=O)NCc2ccn3ccnc3c2)Cc2ccccc21 ZINC000095417383 218356891 /nfs/dbraw/zinc/35/68/91/218356891.db2.gz DRECYKTZFOCQBC-UHFFFAOYSA-N 0 0 335.411 2.496 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCN(c2ccncc2Cl)CC1 ZINC000095437743 218381084 /nfs/dbraw/zinc/38/10/84/218381084.db2.gz LGEAKOFVUJBWIW-UHFFFAOYSA-N 0 0 333.823 2.048 40 0 EEABRN Cc1cnccc1CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000095437955 218381161 /nfs/dbraw/zinc/38/11/61/218381161.db2.gz DDECJIWSYYIDRG-UHFFFAOYSA-N 0 0 338.411 2.382 40 0 EEABRN CN(C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1c(F)cccc1F ZINC000095449038 218392842 /nfs/dbraw/zinc/39/28/42/218392842.db2.gz PMOGIQSWDJIWGA-KRWDZBQOSA-N 0 0 347.365 2.234 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)cc1Br ZINC000095454008 218397332 /nfs/dbraw/zinc/39/73/32/218397332.db2.gz KFMDNESHQKRIMX-LLVKDONJSA-N 0 0 339.233 2.417 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096048635 218538114 /nfs/dbraw/zinc/53/81/14/218538114.db2.gz INWCUPAYKBRRFY-LJQANCHMSA-N 0 0 339.395 2.330 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096089916 218586127 /nfs/dbraw/zinc/58/61/27/218586127.db2.gz BAERPHDFFFPRBL-MJGOQNOKSA-N 0 0 339.395 2.319 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC000096110869 218606907 /nfs/dbraw/zinc/60/69/07/218606907.db2.gz VMSDCOZXXOCXGV-LPHOPBHVSA-N 0 0 349.427 2.405 40 0 EEABRN Cc1cc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c(C)o1 ZINC000096121915 218613095 /nfs/dbraw/zinc/61/30/95/218613095.db2.gz BULKITBYWBUEHE-UHFFFAOYSA-N 0 0 325.430 2.468 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 ZINC000096107739 218601451 /nfs/dbraw/zinc/60/14/51/218601451.db2.gz VMSDCOZXXOCXGV-APWZRJJASA-N 0 0 349.427 2.405 40 0 EEABRN Cc1nc(CN2CC[C@]3(CCN(c4ncc(F)cn4)C3)C2=O)cs1 ZINC000096159444 218633985 /nfs/dbraw/zinc/63/39/85/218633985.db2.gz WKLTUUUDDKTGDU-MRXNPFEDSA-N 0 0 347.419 2.010 40 0 EEABRN Cc1sc(C(=O)NCc2cccs2)cc1S(=O)(=O)N(C)C ZINC000006679587 210677921 /nfs/dbraw/zinc/67/79/21/210677921.db2.gz HTBGTPSNDAHLPC-UHFFFAOYSA-N 0 0 344.483 2.298 40 0 EEABRN CS[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000096416546 218777433 /nfs/dbraw/zinc/77/74/33/218777433.db2.gz RNBMDBIDJIRGKX-HUUCEWRRSA-N 0 0 334.489 2.483 40 0 EEABRN CCCNC(=O)CNC(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000096422045 218788703 /nfs/dbraw/zinc/78/87/03/218788703.db2.gz ULLQJTXVYYZWFV-UHFFFAOYSA-N 0 0 335.795 2.173 40 0 EEABRN CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000096423710 218791099 /nfs/dbraw/zinc/79/10/99/218791099.db2.gz VDCRVLWJUKFDGP-GFCCVEGCSA-N 0 0 326.462 2.290 40 0 EEABRN CCCCS(=O)(=O)N(C)Cc1csc(-c2cnn(C)c2)n1 ZINC000096429051 218802104 /nfs/dbraw/zinc/80/21/04/218802104.db2.gz RZBZDMFUTPBQSO-UHFFFAOYSA-N 0 0 328.463 2.105 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000096439834 218819524 /nfs/dbraw/zinc/81/95/24/218819524.db2.gz HIZASNBKPUTNTK-LSDHHAIUSA-N 0 0 345.472 2.490 40 0 EEABRN Cc1nn(-c2nc(C)cc(C)n2)cc1C(=O)OCCCn1cccn1 ZINC000096442048 218823975 /nfs/dbraw/zinc/82/39/75/218823975.db2.gz YVPVQSYSBUPQOD-UHFFFAOYSA-N 0 0 340.387 2.031 40 0 EEABRN COC(=O)NCCC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000096470477 218848597 /nfs/dbraw/zinc/84/85/97/218848597.db2.gz KDGLHMHXZJKIKM-JTQLQIEISA-N 0 0 343.221 2.242 40 0 EEABRN Cc1ncsc1CNc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 ZINC000096483180 218857881 /nfs/dbraw/zinc/85/78/81/218857881.db2.gz PGVSVCADQNFIKB-GFCCVEGCSA-N 0 0 331.445 2.160 40 0 EEABRN Cn1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000096485893 218862529 /nfs/dbraw/zinc/86/25/29/218862529.db2.gz ITNLCWXEQWTVQA-CQSZACIVSA-N 0 0 325.771 2.350 40 0 EEABRN COc1ccc(Cl)cc1CNC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000096502797 218880164 /nfs/dbraw/zinc/88/01/64/218880164.db2.gz ZTNIRBSKONDCGW-LLVKDONJSA-N 0 0 340.729 2.413 40 0 EEABRN Cc1nc(C)c(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)s1 ZINC000097230677 219000144 /nfs/dbraw/zinc/00/01/44/219000144.db2.gz YROAJIHLKSXCFZ-UHFFFAOYSA-N 0 0 337.367 2.359 40 0 EEABRN CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 ZINC000004856303 210301986 /nfs/dbraw/zinc/30/19/86/210301986.db2.gz KFKIVNFWGUQEME-UHFFFAOYSA-N 0 0 329.429 2.443 40 0 EEABRN Cc1csc2nc(C)nc(NC3CCN(S(C)(=O)=O)CC3)c12 ZINC000097377633 219019512 /nfs/dbraw/zinc/01/95/12/219019512.db2.gz WSAOHBXPEBFRCG-UHFFFAOYSA-N 0 0 340.474 2.144 40 0 EEABRN COC[C@@H](C)n1c(C)cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1C ZINC000195537356 285217706 /nfs/dbraw/zinc/21/77/06/285217706.db2.gz HMSKDLNALLBQSN-BJJXKVORSA-N 0 0 349.475 2.081 40 0 EEABRN CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945624 132198294 /nfs/dbraw/zinc/19/82/94/132198294.db2.gz HYAFJDGITAZHIP-QGZVFWFLSA-N 0 0 331.391 2.418 40 0 EEABRN CN(C)C(=O)[C@H]1CN(CCOc2ccccc2)c2ccccc2O1 ZINC000058289951 132433774 /nfs/dbraw/zinc/43/37/74/132433774.db2.gz PBNXRBITISUIIF-GOSISDBHSA-N 0 0 326.396 2.421 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)CC(F)(F)F)C2=O)c(C)c1 ZINC000189391033 292239033 /nfs/dbraw/zinc/23/90/33/292239033.db2.gz UKMCWEWNBQQSQF-IAQYHMDHSA-N 0 0 344.333 2.384 40 0 EEABRN COc1ccc([C@@H]2OCC[C@H]2NC(=O)N[C@@H](C)c2cccnc2)cn1 ZINC000345820078 161334959 /nfs/dbraw/zinc/33/49/59/161334959.db2.gz XEGZHGUTYASWNN-MJEQTWJJSA-N 0 0 342.399 2.376 40 0 EEABRN O=S(=O)(N[C@@H]1CCCN(c2ccccn2)C1)c1ccc(F)cc1 ZINC000166148125 226148595 /nfs/dbraw/zinc/14/85/95/226148595.db2.gz AYBCHOQZKHUYQS-CQSZACIVSA-N 0 0 335.404 2.168 40 0 EEABRN CO[C@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1cnn(C)c1 ZINC000281212623 269413049 /nfs/dbraw/zinc/41/30/49/269413049.db2.gz NVUUFNYHHGSZGF-LBPRGKRZSA-N 0 0 348.428 2.358 40 0 EEABRN COCCN1CC2(CCN(C(=O)c3ccno3)CC2)c2ccccc21 ZINC000096241290 277513640 /nfs/dbraw/zinc/51/36/40/277513640.db2.gz SSTHHCQXRNWHPM-UHFFFAOYSA-N 0 0 341.411 2.315 40 0 EEABRN COc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1 ZINC000087256433 277877438 /nfs/dbraw/zinc/87/74/38/277877438.db2.gz PBHPQUKYAGHCBO-SJLPKXTDSA-N 0 0 349.394 2.340 40 0 EEABRN O=C(c1cccs1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000247791106 280217158 /nfs/dbraw/zinc/21/71/58/280217158.db2.gz ABPKFFPRRHSNSZ-CYBMUJFWSA-N 0 0 330.409 2.453 40 0 EEABRN Cc1c(CN2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379701 280225645 /nfs/dbraw/zinc/22/56/45/280225645.db2.gz PYXVJMMRZYNBKN-GOSISDBHSA-N 0 0 333.407 2.295 40 0 EEABRN Cc1cc2cc3c(cc2n2c(=O)n(Cc4cccnc4)nc12)OCO3 ZINC000072346992 280696923 /nfs/dbraw/zinc/69/69/23/280696923.db2.gz DOOBGZWLFQCBBS-UHFFFAOYSA-N 0 0 334.335 2.130 40 0 EEABRN CC[C@H]1N(S(=O)(=O)c2ccccc2F)CCC[C@]12CCC(=O)N2 ZINC000096100124 288354630 /nfs/dbraw/zinc/35/46/30/288354630.db2.gz HGTLMROSVQWILT-ZBFHGGJFSA-N 0 0 340.420 2.038 40 0 EEABRN CN(C)C(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccccn2)s1 ZINC000257221448 289034330 /nfs/dbraw/zinc/03/43/30/289034330.db2.gz DPBSBKRTXKIRNP-LBPRGKRZSA-N 0 0 330.413 2.217 40 0 EEABRN COC[C@H]1CCCN1C(=O)c1c(-c2cccnc2)noc1[C@H](C)O ZINC000253395487 293210916 /nfs/dbraw/zinc/21/09/16/293210916.db2.gz BYJWWMWOBWJEDB-WCQYABFASA-N 0 0 331.372 2.041 40 0 biogenic,in-vitro EEABRN O=C(C1CCOCC1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225481842 295451130 /nfs/dbraw/zinc/45/11/30/295451130.db2.gz TUOHBGNYPLYEKT-HNNXBMFYSA-N 0 0 330.384 2.171 40 0 biogenic,in-vitro EEABRN Cc1c(Cl)cccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 ZINC000022274895 300959151 /nfs/dbraw/zinc/95/91/51/300959151.db2.gz HJQNNXDSPSPHPI-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN CN(c1cccnn1)C1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000329502922 311681580 /nfs/dbraw/zinc/68/15/80/311681580.db2.gz GRBXKNZJPRHABK-UHFFFAOYSA-N 0 0 337.427 2.490 40 0 EEABRN C[C@H](C(=O)N1CCOc2cc(Cl)c(Cl)cc21)S(C)(=O)=O ZINC000332683596 312044892 /nfs/dbraw/zinc/04/48/92/312044892.db2.gz ILQCGTGJPWLDMW-SSDOTTSWSA-N 0 0 338.212 2.152 40 0 EEABRN COc1cncc(S(=O)(=O)N2CCCc3ccccc3CC2)c1 ZINC000333028182 312080722 /nfs/dbraw/zinc/08/07/22/312080722.db2.gz BELPIMPTYRCBKN-UHFFFAOYSA-N 0 0 332.425 2.270 40 0 EEABRN Cc1c(CNC(=O)N2CCOC[C@@H]2C[C@H](C)O)oc2ccccc12 ZINC000097095129 323320195 /nfs/dbraw/zinc/32/01/95/323320195.db2.gz ODBBXLJPWVADLK-JSGCOSHPSA-N 0 0 332.400 2.423 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000097103569 323321056 /nfs/dbraw/zinc/32/10/56/323321056.db2.gz PMLHPQORXIZGRW-INIZCTEOSA-N 0 0 327.432 2.402 40 0 EEABRN O=C(Nc1ccccc1-n1ccnc1)c1cc(N2CCOCC2)ccn1 ZINC000097104148 323321249 /nfs/dbraw/zinc/32/12/49/323321249.db2.gz VNHHCOXWOPSRNA-UHFFFAOYSA-N 0 0 349.394 2.356 40 0 EEABRN Cn1c2ccc(F)cc2nc1NCc1cn(Cc2cccnc2)nn1 ZINC000097379545 323323061 /nfs/dbraw/zinc/32/30/61/323323061.db2.gz LPGSGTLGYFYDNL-UHFFFAOYSA-N 0 0 337.362 2.359 40 0 EEABRN O=C(C[C@@H]1COCCN1Cc1nc(C2CC2)no1)c1cccs1 ZINC000154453284 323331394 /nfs/dbraw/zinc/33/13/94/323331394.db2.gz CWJMAMZCISDVDC-GFCCVEGCSA-N 0 0 333.413 2.482 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000000379292 462557087 /nfs/dbraw/zinc/55/70/87/462557087.db2.gz JGPHSOFCXPMPSP-UHFFFAOYSA-N 0 0 330.837 2.119 40 0 EEABRN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000809701 462573048 /nfs/dbraw/zinc/57/30/48/462573048.db2.gz VRTIVWSHWPEXJK-OAHLLOKOSA-N 0 0 334.372 2.283 40 0 EEABRN COc1ccccc1CNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000001361821 462579868 /nfs/dbraw/zinc/57/98/68/462579868.db2.gz VUPCGYHFUORDKE-ZDUSSCGKSA-N 0 0 340.379 2.126 40 0 EEABRN COC(=O)[C@](O)(CC(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000002767869 462602330 /nfs/dbraw/zinc/60/23/30/462602330.db2.gz WMAQAWCGWPDFTQ-LLVKDONJSA-N 0 0 343.660 2.274 40 0 EEABRN O=C(Nc1c[nH]ccc1=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000045827809 462621747 /nfs/dbraw/zinc/62/17/47/462621747.db2.gz RZJMYHFZJATGPE-JTQLQIEISA-N 0 0 331.759 2.020 40 0 EEABRN CCCCc1noc(C2CCN(C(=O)CCc3cnn(C)c3)CC2)n1 ZINC000046087149 462646470 /nfs/dbraw/zinc/64/64/70/462646470.db2.gz IOYYMZJAWPURIV-UHFFFAOYSA-N 0 0 345.447 2.485 40 0 EEABRN CC1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000005439207 462659900 /nfs/dbraw/zinc/65/99/00/462659900.db2.gz LSPMAXRNSJAAKW-UHFFFAOYSA-N 0 0 336.457 2.489 40 0 EEABRN CCCCn1ncc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1C ZINC000089273354 462661122 /nfs/dbraw/zinc/66/11/22/462661122.db2.gz MBAFVKAJRSBFLK-MRXNPFEDSA-N 0 0 349.479 2.320 40 0 EEABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2)c1 ZINC000005511373 462661997 /nfs/dbraw/zinc/66/19/97/462661997.db2.gz DIRKNEYBLBYFHL-UHFFFAOYSA-N 0 0 327.336 2.441 40 0 EEABRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3snnc3c2)C1 ZINC000006274488 462680509 /nfs/dbraw/zinc/68/05/09/462680509.db2.gz RSNFOYQYCTWZLG-ZDUSSCGKSA-N 0 0 346.456 2.412 40 0 EEABRN CC(C)CNC(=O)CSc1nnc(CCc2ccccc2)n1C ZINC000006326345 462683196 /nfs/dbraw/zinc/68/31/96/462683196.db2.gz NTFDCBLZNPYQOT-UHFFFAOYSA-N 0 0 332.473 2.465 40 0 EEABRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006635553 462693485 /nfs/dbraw/zinc/69/34/85/462693485.db2.gz PHMALOGPQVCWBC-CYBMUJFWSA-N 0 0 342.436 2.143 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCC)cc1 ZINC000006945380 462714516 /nfs/dbraw/zinc/71/45/16/462714516.db2.gz QMFOFZQUZLOGMZ-CYBMUJFWSA-N 0 0 342.461 2.059 40 0 EEABRN COc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 ZINC000047227675 462757156 /nfs/dbraw/zinc/75/71/56/462757156.db2.gz CGXMKWDKGNEBJZ-UHFFFAOYSA-N 0 0 340.423 2.457 40 0 EEABRN CCSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974341 462810387 /nfs/dbraw/zinc/81/03/87/462810387.db2.gz JBPCMDHLTYEESP-UHFFFAOYSA-N 0 0 337.376 2.253 40 0 EEABRN O=C1Nc2ccc(Br)cc2[C@@]12NC(=O)c1ccccc1O2 ZINC000010325970 462817493 /nfs/dbraw/zinc/81/74/93/462817493.db2.gz AVLWAUHGPIMLGI-HNNXBMFYSA-N 0 0 345.152 2.376 40 0 EEABRN Cc1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1C ZINC000013672801 462898245 /nfs/dbraw/zinc/89/82/45/462898245.db2.gz AQWJNRAAKPFEQP-CYBMUJFWSA-N 0 0 338.473 2.328 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000013672837 462900086 /nfs/dbraw/zinc/90/00/86/462900086.db2.gz PPALZVKRGDIERM-HUUCEWRRSA-N 0 0 338.473 2.408 40 0 EEABRN CC[C@@H](C(=O)NC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716001 462902245 /nfs/dbraw/zinc/90/22/45/462902245.db2.gz UNLIYZDQYIYYGY-HNNXBMFYSA-N 0 0 326.462 2.373 40 0 EEABRN CCn1c(COc2ccccc2Cl)nnc1SCC(N)=O ZINC000013841925 462904510 /nfs/dbraw/zinc/90/45/10/462904510.db2.gz ZPXCQDDLFPKSIR-UHFFFAOYSA-N 0 0 326.809 2.108 40 0 EEABRN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1 ZINC000015279206 462945879 /nfs/dbraw/zinc/94/58/79/462945879.db2.gz BSXSTKZUMSWLAV-UHFFFAOYSA-N 0 0 333.365 2.098 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000015563644 462955560 /nfs/dbraw/zinc/95/55/60/462955560.db2.gz LMNVWQDAWKERTO-AWEZNQCLSA-N 0 0 346.452 2.346 40 0 EEABRN Cc1cc(O)c(C(=O)Nc2ccccc2)c(=O)n1C[C@H]1CCCO1 ZINC000016790265 462989350 /nfs/dbraw/zinc/98/93/50/462989350.db2.gz PFXLJLPZMGUZOJ-CQSZACIVSA-N 0 0 328.368 2.294 40 0 EEABRN COc1ccc(S(=O)(=O)NCCc2cnccn2)cc1C(C)(C)C ZINC000019083736 463014273 /nfs/dbraw/zinc/01/42/73/463014273.db2.gz OGFOCZHUPCUNSQ-UHFFFAOYSA-N 0 0 349.456 2.304 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 ZINC000019495872 463017366 /nfs/dbraw/zinc/01/73/66/463017366.db2.gz HZHAWUQIVXELRR-ZFWWWQNUSA-N 0 0 342.439 2.481 40 0 EEABRN O=C(CCn1cccn1)N1CCO[C@@H](c2cc3ccccc3cn2)C1 ZINC000019399718 463018312 /nfs/dbraw/zinc/01/83/12/463018312.db2.gz IXOVRRFRGWALEO-GOSISDBHSA-N 0 0 336.395 2.422 40 0 EEABRN Nc1ncnc2nc([C@H]3CCN(C(=O)Cc4ccccc4)C3)ccc12 ZINC000019704883 463020699 /nfs/dbraw/zinc/02/06/99/463020699.db2.gz XVWQJXJLSRIFHO-AWEZNQCLSA-N 0 0 333.395 2.166 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2OC)c1 ZINC000024355022 463084232 /nfs/dbraw/zinc/08/42/32/463084232.db2.gz VSHVASVROWZEHL-UHFFFAOYSA-N 0 0 349.408 2.303 40 0 EEABRN O=C(OC1CCN(c2ccncn2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000095463450 463089689 /nfs/dbraw/zinc/08/96/89/463089689.db2.gz WLGAJWQPNFKLRR-UHFFFAOYSA-N 0 0 349.394 2.488 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000024812747 463098584 /nfs/dbraw/zinc/09/85/84/463098584.db2.gz JVRONQNPVUTJKT-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)Nc1cnccc1C ZINC000134949884 463099960 /nfs/dbraw/zinc/09/99/60/463099960.db2.gz JTQGJBAHBPFVKO-LBPRGKRZSA-N 0 0 343.431 2.466 40 0 EEABRN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000025903333 463144524 /nfs/dbraw/zinc/14/45/24/463144524.db2.gz YRIROFAITVPQLW-YPMHNXCESA-N 0 0 344.864 2.189 40 0 EEABRN O=C(N1CCCC1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041835 463146069 /nfs/dbraw/zinc/14/60/69/463146069.db2.gz XNWKTTUTGDTHHE-GVDBMIGSSA-N 0 0 331.416 2.046 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CCO[C@H]2[C@H](OCC(C)C)CC[C@@H]21 ZINC000096041485 463146763 /nfs/dbraw/zinc/14/67/63/463146763.db2.gz MZHSGSFJXXLUIW-USXIJHARSA-N 0 0 335.448 2.256 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)CCc4ccccc4)C[C@H]3O2)[nH]1 ZINC000096046221 463149795 /nfs/dbraw/zinc/14/97/95/463149795.db2.gz QLOCVVLWSFABFE-GVDBMIGSSA-N 0 0 340.427 2.424 40 0 EEABRN COC[C@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(CC3CC3)c21 ZINC000096045613 463150593 /nfs/dbraw/zinc/15/05/93/463150593.db2.gz WWJZDHXUTWIBND-UKRRQHHQSA-N 0 0 330.432 2.117 40 0 EEABRN Cn1cc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cn1 ZINC000096051901 463155136 /nfs/dbraw/zinc/15/51/36/463155136.db2.gz OLBBENVHCODUDB-PKOBYXMFSA-N 0 0 342.443 2.265 40 0 EEABRN C[C@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062091 463161744 /nfs/dbraw/zinc/16/17/44/463161744.db2.gz AUBWJUACGFKXSO-ZDUSSCGKSA-N 0 0 326.379 2.239 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2CN(c3ccccn3)CC[C@@H]2C1 ZINC000096082405 463170663 /nfs/dbraw/zinc/17/06/63/463170663.db2.gz BKUVWAONNDMBQI-GDBMZVCRSA-N 0 0 327.384 2.042 40 0 EEABRN O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 ZINC000096100410 463173069 /nfs/dbraw/zinc/17/30/69/463173069.db2.gz YKLBBARGUXNONR-OWCLPIDISA-N 0 0 347.390 2.116 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2 ZINC000096105801 463174362 /nfs/dbraw/zinc/17/43/62/463174362.db2.gz JXJXDGBHCNJXNB-HNNXBMFYSA-N 0 0 339.457 2.201 40 0 EEABRN Cc1ncoc1C(=O)N1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096107020 463175070 /nfs/dbraw/zinc/17/50/70/463175070.db2.gz JAPVPFYXQJJYAS-AWEZNQCLSA-N 0 0 343.383 2.221 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096106937 463175355 /nfs/dbraw/zinc/17/53/55/463175355.db2.gz VQRCTAINADTZNT-KRWDZBQOSA-N 0 0 345.443 2.438 40 0 EEABRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1c1ncc(F)cn1 ZINC000096109828 463178859 /nfs/dbraw/zinc/17/88/59/463178859.db2.gz LJLDQRORMHFODL-GFCCVEGCSA-N 0 0 340.362 2.367 40 0 EEABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cn1 ZINC000096112188 463179429 /nfs/dbraw/zinc/17/94/29/463179429.db2.gz LBZIOTAODHRTAO-CJNGLKHVSA-N 0 0 329.379 2.036 40 0 biogenic,in-vitro EEABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C(C)C)C[C@H]3F)nc2c1 ZINC000096112382 463179451 /nfs/dbraw/zinc/17/94/51/463179451.db2.gz HNISLMDYBKKJQI-DOMZBBRYSA-N 0 0 335.379 2.297 40 0 biogenic,in-vitro EEABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C4CCC4)C[C@H]3F)nc2c1 ZINC000096112373 463180285 /nfs/dbraw/zinc/18/02/85/463180285.db2.gz JIEJGFUEBLVIGR-CJNGLKHVSA-N 0 0 347.390 2.441 40 0 biogenic,in-vitro EEABRN Cc1cc(CNC(=O)c2cccc(Cl)c2)nc(N2CCOCC2)n1 ZINC000096121285 463182266 /nfs/dbraw/zinc/18/22/66/463182266.db2.gz RRSUXAAJIQKXHH-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)s1 ZINC000096181790 463194259 /nfs/dbraw/zinc/19/42/59/463194259.db2.gz RUZVEOFHLQJOEG-KGLIPLIRSA-N 0 0 349.387 2.128 40 0 EEABRN O=C([O-])[C@@]12C[N@H+](CC3CC3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096185193 463195625 /nfs/dbraw/zinc/19/56/25/463195625.db2.gz QVSLQYIHXXILAB-YOEHRIQHSA-N 0 0 335.473 2.152 40 0 EEABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccn2)c1 ZINC000027934343 463208960 /nfs/dbraw/zinc/20/89/60/463208960.db2.gz FSYFADQOPOBYLX-UHFFFAOYSA-N 0 0 340.788 2.000 40 0 EEABRN Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4cnoc4)CC[C@@H]23)n1 ZINC000096207812 463210382 /nfs/dbraw/zinc/21/03/82/463210382.db2.gz SHQIWCGIADBCGA-MGPQQGTHSA-N 0 0 333.413 2.159 40 0 EEABRN Cc1ccc(N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)nn1 ZINC000096217649 463215254 /nfs/dbraw/zinc/21/52/54/463215254.db2.gz WZYVEKCZFBDAJL-DYVFJYSZSA-N 0 0 330.363 2.136 40 0 EEABRN CC(C)NC(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096224425 463219486 /nfs/dbraw/zinc/21/94/86/463219486.db2.gz SNYDSPYEXMFYLW-GOSISDBHSA-N 0 0 330.432 2.014 40 0 EEABRN Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238714 463224794 /nfs/dbraw/zinc/22/47/94/463224794.db2.gz DERGBQCMFYAGJU-GOSISDBHSA-N 0 0 328.391 2.188 40 0 EEABRN O=C(COC[C@H]1C[C@@H]2OCCN(c3ccccc3)[C@H]2C1)N1CCCC1 ZINC000096250627 463226648 /nfs/dbraw/zinc/22/66/48/463226648.db2.gz BFHVJPWXFNTTLQ-NEWSRXKRSA-N 0 0 344.455 2.309 40 0 EEABRN Cc1nnsc1C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000096367197 463235984 /nfs/dbraw/zinc/23/59/84/463235984.db2.gz LLFNVWSOMPTROZ-MRXNPFEDSA-N 0 0 329.381 2.097 40 0 EEABRN COCCCC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408166 463241361 /nfs/dbraw/zinc/24/13/61/463241361.db2.gz AHMMIHZFOQXTTE-LBPRGKRZSA-N 0 0 328.359 2.410 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N[C@H]1c2ccccc2C[C@@H]1C ZINC000096408678 463241702 /nfs/dbraw/zinc/24/17/02/463241702.db2.gz RNKVSEUHGOLACA-MEDUHNTESA-N 0 0 337.383 2.345 40 0 EEABRN O=C(Cc1csc(-c2ccoc2)n1)NCCCn1ccccc1=O ZINC000096414340 463246829 /nfs/dbraw/zinc/24/68/29/463246829.db2.gz GHLCSJLVVUGBLU-UHFFFAOYSA-N 0 0 343.408 2.314 40 0 EEABRN CC[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1cnn(CC)c1 ZINC000096415629 463247849 /nfs/dbraw/zinc/24/78/49/463247849.db2.gz NOCGGYHIHPIHSP-INIZCTEOSA-N 0 0 342.447 2.177 40 0 EEABRN C[C@H]1CS(=O)(=O)CCN1C(=O)NCCCCCc1ccccc1 ZINC000096417716 463249200 /nfs/dbraw/zinc/24/92/00/463249200.db2.gz ZPEVKYFDGMDDMW-HNNXBMFYSA-N 0 0 338.473 2.228 40 0 EEABRN COc1ccc(Br)cc1CCC(=O)N1CCOCC1 ZINC000096416859 463249691 /nfs/dbraw/zinc/24/96/91/463249691.db2.gz DYAHICDJZSFVHI-UHFFFAOYSA-N 0 0 328.206 2.249 40 0 EEABRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CC=CCC1 ZINC000096418311 463250735 /nfs/dbraw/zinc/25/07/35/463250735.db2.gz VTJYOAMYEVQPAN-GFCCVEGCSA-N 0 0 329.368 2.450 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000096423722 463253707 /nfs/dbraw/zinc/25/37/07/463253707.db2.gz WXJDANJWVHAQRA-YUELXQCFSA-N 0 0 338.398 2.295 40 0 EEABRN CC(C)N(CC(F)(F)F)C(=O)CNc1ccc2oc(=O)n(C)c2c1 ZINC000096427497 463257263 /nfs/dbraw/zinc/25/72/63/463257263.db2.gz RQWPVHBNAKOVLC-UHFFFAOYSA-N 0 0 345.321 2.343 40 0 EEABRN COc1ccccc1S(=O)(=O)N(C)Cc1nc2ccccc2n1C ZINC000096428269 463257931 /nfs/dbraw/zinc/25/79/31/463257931.db2.gz AXMYLWPHNWOCFM-UHFFFAOYSA-N 0 0 345.424 2.403 40 0 EEABRN O=S(=O)(Cc1ccon1)N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000096427921 463258074 /nfs/dbraw/zinc/25/80/74/463258074.db2.gz AQDUWFGUSWILKF-CQSZACIVSA-N 0 0 346.412 2.191 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000096430621 463259901 /nfs/dbraw/zinc/25/99/01/463259901.db2.gz WLHYADQVKKJQOC-SECBINFHSA-N 0 0 329.187 2.169 40 0 EEABRN C[C@@H](CCc1ccccc1F)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000096431228 463259925 /nfs/dbraw/zinc/25/99/25/463259925.db2.gz LXTSPIQSGOAJLV-UONOGXRCSA-N 0 0 341.448 2.288 40 0 EEABRN COc1cccc(-c2noc([C@@H](C)NC(=O)[C@@H](C)n3cccn3)n2)c1 ZINC000096432747 463260989 /nfs/dbraw/zinc/26/09/89/463260989.db2.gz VILVEKAVZBILNG-VXGBXAGGSA-N 0 0 341.371 2.380 40 0 EEABRN CN1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)c2ccc(F)cc21 ZINC000096432411 463261382 /nfs/dbraw/zinc/26/13/82/463261382.db2.gz VAGZCGZMCQZMKG-UHFFFAOYSA-N 0 0 341.386 2.489 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)Nc3cccnc3)CC2)n1 ZINC000096434120 463262578 /nfs/dbraw/zinc/26/25/78/463262578.db2.gz XOVSWHCNVLZDKP-UHFFFAOYSA-N 0 0 332.433 2.240 40 0 EEABRN Cc1cccc2nc(CSc3nnc([C@@H]4CCCCO4)n3N)cn21 ZINC000096436687 463264899 /nfs/dbraw/zinc/26/48/99/463264899.db2.gz XTRGWHRLIZMYPY-ZDUSSCGKSA-N 0 0 344.444 2.482 40 0 EEABRN O=C(c1ccncc1F)N1CCN(c2nncc3ccccc32)CC1 ZINC000096443710 463268781 /nfs/dbraw/zinc/26/87/81/463268781.db2.gz KXRCIJSRBUHRLN-UHFFFAOYSA-N 0 0 337.358 2.126 40 0 EEABRN C[C@@H](NS(=O)(=O)C1CCOCC1)c1cccc(-n2cccn2)c1 ZINC000096444302 463269714 /nfs/dbraw/zinc/26/97/14/463269714.db2.gz PDIZDEUNBQBVEH-CYBMUJFWSA-N 0 0 335.429 2.032 40 0 EEABRN Cc1c(N[C@H]2CCCN(C(C)C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000096449370 463272047 /nfs/dbraw/zinc/27/20/47/463272047.db2.gz QAINOBZZAVJJTH-INIZCTEOSA-N 0 0 342.443 2.296 40 0 EEABRN O=[S@@](CCN1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000096452013 463273140 /nfs/dbraw/zinc/27/31/40/463273140.db2.gz OMRQDQLZRWQWCJ-XMMPIXPASA-N 0 0 344.480 2.318 40 0 EEABRN CCCOc1ccc(Cl)cc1NCc1cc(=O)n(C)c(=O)n1C ZINC000096453378 463274486 /nfs/dbraw/zinc/27/44/86/463274486.db2.gz UZBDRXGTKTVCMO-UHFFFAOYSA-N 0 0 337.807 2.138 40 0 EEABRN Cc1cc(NCC(=O)N(C)Cc2cccs2)c(C(N)=O)cc1F ZINC000096453628 463274591 /nfs/dbraw/zinc/27/45/91/463274591.db2.gz PKGSUUJNYOAIKS-UHFFFAOYSA-N 0 0 335.404 2.365 40 0 EEABRN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000096456484 463275231 /nfs/dbraw/zinc/27/52/31/463275231.db2.gz FUKBEPNTLYDHMA-GXSJLCMTSA-N 0 0 348.790 2.046 40 0 EEABRN CN(C)c1cccc([C@H]2CCCN2c2nc3c(cnn3C)c(=O)[nH]2)c1 ZINC000096456219 463275473 /nfs/dbraw/zinc/27/54/73/463275473.db2.gz UZTXBGUDDVRANV-OAHLLOKOSA-N 0 0 338.415 2.064 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000096461462 463276810 /nfs/dbraw/zinc/27/68/10/463276810.db2.gz LJOHDXBPBYMBAF-DYVFJYSZSA-N 0 0 342.395 2.306 40 0 EEABRN Clc1cnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469773 463278166 /nfs/dbraw/zinc/27/81/66/463278166.db2.gz XKSHHNVKVJFNCU-HOTGVXAUSA-N 0 0 330.819 2.220 40 0 EEABRN CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc2nccnc2c1 ZINC000096483765 463282644 /nfs/dbraw/zinc/28/26/44/463282644.db2.gz UPLMKHTZEZZPIO-UHFFFAOYSA-N 0 0 342.443 2.060 40 0 EEABRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCOC1 ZINC000096483721 463282828 /nfs/dbraw/zinc/28/28/28/463282828.db2.gz RQSQQQQXRDXPKH-GXFFZTMASA-N 0 0 327.222 2.468 40 0 EEABRN C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1CC(F)(F)F ZINC000096485908 463283621 /nfs/dbraw/zinc/28/36/21/463283621.db2.gz FVQWCCVWQAAVJC-MNOVXSKESA-N 0 0 325.400 2.160 40 0 EEABRN CN(C(=O)c1ccco1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096492672 463288073 /nfs/dbraw/zinc/28/80/73/463288073.db2.gz FDDOGRSFDKVWKA-LBPRGKRZSA-N 0 0 337.173 2.341 40 0 EEABRN Cc1cc(C(=O)NC[C@]2(O)CCSC2)nn1-c1cc(C)cc(C)c1 ZINC000096495108 463288743 /nfs/dbraw/zinc/28/87/43/463288743.db2.gz FTGLDYQVSBVODC-GOSISDBHSA-N 0 0 345.468 2.395 40 0 EEABRN CC(C)N1CC[C@H](NC(=O)N(C)CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499875 463290523 /nfs/dbraw/zinc/29/05/23/463290523.db2.gz SKHMCXAYNBGJHE-HOTGVXAUSA-N 0 0 341.402 2.122 40 0 EEABRN Cc1ccc(-c2c(I)cnn2CCO)cc1 ZINC000096527410 463294022 /nfs/dbraw/zinc/29/40/22/463294022.db2.gz IGCAMHKYHWLZGX-UHFFFAOYSA-N 0 0 328.153 2.455 40 0 EEABRN CC[C@](Br)([C@@H](O)c1ccc(F)cc1)S(C)(=O)=O ZINC000096521532 463294371 /nfs/dbraw/zinc/29/43/71/463294371.db2.gz VUAVNUCHXGQAMH-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN CCN(CC)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000138908768 463314684 /nfs/dbraw/zinc/31/46/84/463314684.db2.gz AQJRNGNTYRXNLF-ZIAGYGMSSA-N 0 0 339.486 2.186 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000097095075 463321866 /nfs/dbraw/zinc/32/18/66/463321866.db2.gz HIHVRZFOUPSOHE-DOTOQJQBSA-N 0 0 334.460 2.437 40 0 EEABRN Cn1cc(-c2csc(NC(=O)[C@@H]3CCc4c[nH]nc4C3)n2)cn1 ZINC000080473722 463322298 /nfs/dbraw/zinc/32/22/98/463322298.db2.gz HLHLOHQNGKJFEQ-SECBINFHSA-N 0 0 328.401 2.010 40 0 EEABRN Cc1ccnc2[nH]c(CN(C)[C@H](C(N)=O)c3cccc(F)c3)nc21 ZINC000097103402 463325119 /nfs/dbraw/zinc/32/51/19/463325119.db2.gz FJSIBYFWTBHCAT-HNNXBMFYSA-N 0 0 327.363 2.064 40 0 EEABRN COC1(CNC(=O)[C@H](O)c2ccc(Br)cc2)CCC1 ZINC000097236508 463352098 /nfs/dbraw/zinc/35/20/98/463352098.db2.gz MOSHWCFSACQBBW-GFCCVEGCSA-N 0 0 328.206 2.168 40 0 EEABRN CN(C)c1cc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)ccn1 ZINC000097238311 463352586 /nfs/dbraw/zinc/35/25/86/463352586.db2.gz GWOXVOXXGRZDOI-SFHVURJKSA-N 0 0 342.374 2.254 40 0 EEABRN CN(C)c1cc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)ccn1 ZINC000097238312 463354413 /nfs/dbraw/zinc/35/44/13/463354413.db2.gz GWOXVOXXGRZDOI-GOSISDBHSA-N 0 0 342.374 2.254 40 0 EEABRN COC(=O)[C@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1F ZINC000097372501 463355271 /nfs/dbraw/zinc/35/52/71/463355271.db2.gz MBSIYRBJMPGVFV-BJOHPYRUSA-N 0 0 333.363 2.300 40 0 EEABRN Cc1cnc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)o1 ZINC000080954328 463373801 /nfs/dbraw/zinc/37/38/01/463373801.db2.gz HYLKSBZPXSUWAC-QGZVFWFLSA-N 0 0 327.384 2.353 40 0 EEABRN CN1c2ccccc2S[C@](C)(C(=O)NCc2ccccn2)C1=O ZINC000040774910 463464565 /nfs/dbraw/zinc/46/45/65/463464565.db2.gz IFQCWWHLAAXLTF-QGZVFWFLSA-N 0 0 327.409 2.225 40 0 EEABRN NC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000057327110 463479902 /nfs/dbraw/zinc/47/99/02/463479902.db2.gz AYOWFXHTWALABV-NSHDSACASA-N 0 0 339.326 2.472 40 0 EEABRN COC(=O)c1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000072034166 463480894 /nfs/dbraw/zinc/48/08/94/463480894.db2.gz JFPPVUSQGOPFJL-UHFFFAOYSA-N 0 0 336.347 2.427 40 0 EEABRN O=C(Cn1ccnn1)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000162211400 463493067 /nfs/dbraw/zinc/49/30/67/463493067.db2.gz KACWIDMFTRCMNF-UHFFFAOYSA-N 0 0 328.319 2.436 40 0 EEABRN CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C(F)F)cc1 ZINC000072341003 463509282 /nfs/dbraw/zinc/50/92/82/463509282.db2.gz AHCKFNRMCBVURH-ZDUSSCGKSA-N 0 0 332.310 2.164 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCCc1cccc(C)c1)CC2 ZINC000162671044 463529267 /nfs/dbraw/zinc/52/92/67/463529267.db2.gz YRMODROWOSQCGE-MSOLQXFVSA-N 0 0 346.471 2.499 40 0 EEABRN C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)N1CCNC1=O ZINC000058152488 463543910 /nfs/dbraw/zinc/54/39/10/463543910.db2.gz QCCIPKNQBVBTCA-ZETCQYMHSA-N 0 0 331.155 2.091 40 0 EEABRN O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3)[C@@H]2C1 ZINC000107249603 463562759 /nfs/dbraw/zinc/56/27/59/463562759.db2.gz YZZSQHBZRVXGHG-RTBURBONSA-N 0 0 342.464 2.333 40 0 EEABRN CCC/C=c1\sc2n(c1=O)[C@H](CCC)C(C(=O)OCC)=C(C)N=2 ZINC000107884349 463586233 /nfs/dbraw/zinc/58/62/33/463586233.db2.gz LBBLUGZQXOWJRK-YGYTWAPGSA-N 0 0 336.457 2.302 40 0 EEABRN COc1ccccc1CNC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000058416986 463596392 /nfs/dbraw/zinc/59/63/92/463596392.db2.gz UTTVFODYUCDTJY-UHFFFAOYSA-N 0 0 341.411 2.433 40 0 EEABRN O=C(Cc1cccs1)NCc1cccc(CN2CCOCC2)c1 ZINC000058458960 463601021 /nfs/dbraw/zinc/60/10/21/463601021.db2.gz NTZINHUXNGFAJN-UHFFFAOYSA-N 0 0 330.453 2.439 40 0 EEABRN CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2OC)C1 ZINC000073635747 463636465 /nfs/dbraw/zinc/63/64/65/463636465.db2.gz WSAIKXRRLSNXEK-SECBINFHSA-N 0 0 342.189 2.374 40 0 EEABRN O=C1CCCN1C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000084937832 463638481 /nfs/dbraw/zinc/63/84/81/463638481.db2.gz YYCBQTDEHZQTMT-UHFFFAOYSA-N 0 0 348.424 2.208 40 0 EEABRN O=C(NCCOc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000059488434 463643311 /nfs/dbraw/zinc/64/33/11/463643311.db2.gz HGOCHRBNNAHAST-UHFFFAOYSA-N 0 0 332.787 2.151 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccncc2)C1 ZINC000255983645 463755562 /nfs/dbraw/zinc/75/55/62/463755562.db2.gz KOVNJSQFKBLESW-UONOGXRCSA-N 0 0 335.404 2.196 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)Cc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000257230910 463757646 /nfs/dbraw/zinc/75/76/46/463757646.db2.gz GEMIDJHWMJYCFO-HNNXBMFYSA-N 0 0 347.802 2.287 40 0 EEABRN O=C(Cn1ccnc1)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257281851 463759591 /nfs/dbraw/zinc/75/95/91/463759591.db2.gz ORGBLTMVTQHFIB-LZWOXQAQSA-N 0 0 329.375 2.338 40 0 EEABRN CN(C)c1nc([C@H]2CCN(C(=O)c3ccccc3)C2)cn2nccc12 ZINC000257319199 463776915 /nfs/dbraw/zinc/77/69/15/463776915.db2.gz VRGDPZAFXKOKIZ-HNNXBMFYSA-N 0 0 335.411 2.425 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257334267 463783243 /nfs/dbraw/zinc/78/32/43/463783243.db2.gz YFEYMBASJKQNHL-CYBMUJFWSA-N 0 0 326.400 2.327 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260903565 463793840 /nfs/dbraw/zinc/79/38/40/463793840.db2.gz PMBUAVQXCAPMPU-GJZGRUSLSA-N 0 0 338.473 2.248 40 0 EEABRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000194162135 463804705 /nfs/dbraw/zinc/80/47/05/463804705.db2.gz VLCQWQZBESPZPZ-MEBBXXQBSA-N 0 0 335.379 2.261 40 0 EEABRN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(c2cncc3ccccc32)CC1 ZINC000194294127 463829767 /nfs/dbraw/zinc/82/97/67/463829767.db2.gz KMYBSYWIRDFRDN-SUMDDJOVSA-N 0 0 337.423 2.451 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c(=O)c1 ZINC000194840464 463941312 /nfs/dbraw/zinc/94/13/12/463941312.db2.gz FJFQHCWPXLEXKV-HIFRSBDPSA-N 0 0 332.425 2.207 40 0 EEABRN CSC1(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCC1 ZINC000194906889 463955324 /nfs/dbraw/zinc/95/53/24/463955324.db2.gz YHRBDKLKYZNFKE-CYBMUJFWSA-N 0 0 335.477 2.030 40 0 EEABRN CC1(C)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1OCc1ccccc1 ZINC000186541889 464020145 /nfs/dbraw/zinc/02/01/45/464020145.db2.gz WUTJZUVNRPFTGU-HZPDHXFCSA-N 0 0 341.411 2.227 40 0 EEABRN O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1[O-] ZINC000179000642 464033700 /nfs/dbraw/zinc/03/37/00/464033700.db2.gz CNFVTPXSRYVVHU-UHFFFAOYSA-N 0 0 329.375 2.321 40 0 EEABRN c1nc2nc(NCc3ccccn3)cc(NCc3ccccn3)n2n1 ZINC000195329677 464041081 /nfs/dbraw/zinc/04/10/81/464041081.db2.gz UFTNMLYIGFOUBM-UHFFFAOYSA-N 0 0 332.371 2.139 40 0 EEABRN O=C(CNC(=O)C1CCOCC1)N(Cc1ccccc1)CC1CCC1 ZINC000195530109 464071536 /nfs/dbraw/zinc/07/15/36/464071536.db2.gz DODOOFAEQWOKKT-UHFFFAOYSA-N 0 0 344.455 2.358 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000195530028 464072393 /nfs/dbraw/zinc/07/23/93/464072393.db2.gz SFCNNTDLIGFPBH-SOUVJXGZSA-N 0 0 339.457 2.101 40 0 EEABRN Cc1ccc(C)c([C@H]([NH2+]CCO)c2cccc(S(C)(=O)=O)c2)c1 ZINC000195553425 464076188 /nfs/dbraw/zinc/07/61/88/464076188.db2.gz JSZISWOMDXGVPY-GOSISDBHSA-N 0 0 333.453 2.378 40 0 EEABRN C[C@H](OC(=O)c1cnc2c(c1)ncn2C)c1ccc(-n2cncn2)cc1 ZINC000195576994 464079909 /nfs/dbraw/zinc/07/99/09/464079909.db2.gz UTQAUIULGKFUQM-LBPRGKRZSA-N 0 0 348.366 2.467 40 0 EEABRN NC(=O)CCn1ccc(NCc2c(F)cccc2OC(F)(F)F)n1 ZINC000284091170 464087365 /nfs/dbraw/zinc/08/73/65/464087365.db2.gz VONGFYQNIAHOEW-UHFFFAOYSA-N 0 0 346.284 2.408 40 0 EEABRN Cc1ccc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000219859502 464110875 /nfs/dbraw/zinc/11/08/75/464110875.db2.gz FFLNOAZRMZYQIR-UHFFFAOYSA-N 0 0 345.487 2.050 40 0 EEABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222977476 464135466 /nfs/dbraw/zinc/13/54/66/464135466.db2.gz LWKKIGKORCXKFD-YOEHRIQHSA-N 0 0 348.443 2.118 40 0 EEABRN Cc1ccc(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 ZINC000223313973 464141140 /nfs/dbraw/zinc/14/11/40/464141140.db2.gz ZDCZQVWTFVIYBH-UHFFFAOYSA-N 0 0 332.381 2.216 40 0 EEABRN CCCCNc1cc(N2CCO[C@H](c3cnn(CC)c3)C2)nc(N)n1 ZINC000225473573 464163930 /nfs/dbraw/zinc/16/39/30/464163930.db2.gz AFQYHRARNBQGPR-AWEZNQCLSA-N 0 0 345.451 2.065 40 0 EEABRN CCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000225496655 464166775 /nfs/dbraw/zinc/16/67/75/464166775.db2.gz ZGCNKDUONIMFHG-UHFFFAOYSA-N 0 0 332.425 2.338 40 0 EEABRN O=C1NCCN(CCOCC(F)F)[C@@H]1c1c(F)cccc1Cl ZINC000225548688 464170734 /nfs/dbraw/zinc/17/07/34/464170734.db2.gz AZVLKUPOVJUIKJ-CYBMUJFWSA-N 0 0 336.741 2.234 40 0 EEABRN CCS(=O)(=O)c1ccccc1NCc1cc(C)nc(N(C)C)n1 ZINC000225592322 464173197 /nfs/dbraw/zinc/17/31/97/464173197.db2.gz ODIOSMZJVSRQMD-UHFFFAOYSA-N 0 0 334.445 2.257 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccn[nH]1 ZINC000225604312 464175090 /nfs/dbraw/zinc/17/50/90/464175090.db2.gz OKYDZVMUWPEXFJ-LLVKDONJSA-N 0 0 339.182 2.252 40 0 EEABRN CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)C(=O)OC ZINC000225608574 464175483 /nfs/dbraw/zinc/17/54/83/464175483.db2.gz WKPLIVOZHFFCTP-SECBINFHSA-N 0 0 341.820 2.483 40 0 EEABRN CCn1ncnc1CN(C)[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000225616128 464176182 /nfs/dbraw/zinc/17/61/82/464176182.db2.gz AGOSAFMBJCBXCR-SJLPKXTDSA-N 0 0 343.475 2.019 40 0 EEABRN CC[C@H]1Oc2cc([C@@H](C)NCc3nccc(N)n3)ccc2NC1=O ZINC000180021642 464225502 /nfs/dbraw/zinc/22/55/02/464225502.db2.gz QPFLIRWWGASYRR-ZWNOBZJWSA-N 0 0 327.388 2.019 40 0 EEABRN Cc1cc(CS(=O)(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)no1 ZINC000270234804 464229067 /nfs/dbraw/zinc/22/90/67/464229067.db2.gz IYTUYWOSOCYLCN-CYBMUJFWSA-N 0 0 344.433 2.009 40 0 EEABRN CC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)Nc1nccs1 ZINC000240225389 464445186 /nfs/dbraw/zinc/44/51/86/464445186.db2.gz DHOCUXHDXFFHBZ-FVCCEPFGSA-N 0 0 339.461 2.426 40 0 EEABRN Nc1ncnc(N2CCCN(C(=O)c3ccsc3)CC2)c1Cl ZINC000240321577 464445761 /nfs/dbraw/zinc/44/57/61/464445761.db2.gz FAMHDFAVHBOBCC-UHFFFAOYSA-N 0 0 337.836 2.126 40 0 EEABRN CC(C)c1noc(OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000240757089 464448259 /nfs/dbraw/zinc/44/82/59/464448259.db2.gz HWFJXTGIMJGGSV-AWEZNQCLSA-N 0 0 349.362 2.311 40 0 EEABRN CC[C@@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)c1c(C)noc1C ZINC000189685047 464538299 /nfs/dbraw/zinc/53/82/99/464538299.db2.gz RKZNRIXBQNVCSG-BXKDBHETSA-N 0 0 333.396 2.124 40 0 EEABRN COC[C@H](C)n1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000189921329 464564034 /nfs/dbraw/zinc/56/40/34/464564034.db2.gz LZOQDEBNOHKKHO-STQMWFEESA-N 0 0 332.408 2.225 40 0 EEABRN CN(CCCNC(=O)C1CCCC1)S(=O)(=O)c1cccs1 ZINC000189965025 464573849 /nfs/dbraw/zinc/57/38/49/464573849.db2.gz SFCGTLLJXFSJCY-UHFFFAOYSA-N 0 0 330.475 2.065 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@H](OCc2ccncc2)CCO3)s1 ZINC000248002358 464720760 /nfs/dbraw/zinc/72/07/60/464720760.db2.gz GAIKEAJRYNWERS-CQSZACIVSA-N 0 0 332.429 2.196 40 0 EEABRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1(C)C ZINC000248079221 464728485 /nfs/dbraw/zinc/72/84/85/464728485.db2.gz UWYCILPTQKPFIO-HRCADAONSA-N 0 0 336.476 2.297 40 0 EEABRN COc1ccccc1CN1Cc2cncn2[C@@H](CN2CCCC2=O)C1 ZINC000248143791 464734219 /nfs/dbraw/zinc/73/42/19/464734219.db2.gz RDWLORFQWWHRNH-QGZVFWFLSA-N 0 0 340.427 2.071 40 0 EEABRN CC(=O)N1CC[C@H](CN(C)[C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000249260895 464855001 /nfs/dbraw/zinc/85/50/01/464855001.db2.gz HYIPMQVWSZQCKB-UKRRQHHQSA-N 0 0 334.468 2.040 40 0 EEABRN CC(C)c1cnc(NC(=O)NCCNC(=O)c2cccnc2)s1 ZINC000192398621 464920300 /nfs/dbraw/zinc/92/03/00/464920300.db2.gz AOSJHVSTQVFCFW-UHFFFAOYSA-N 0 0 333.417 2.213 40 0 EEABRN Cc1cc(C)cc(OCCNC(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000252492348 464967537 /nfs/dbraw/zinc/96/75/37/464967537.db2.gz MJPSGLXWINAVAV-INIZCTEOSA-N 0 0 345.443 2.183 40 0 EEABRN O=C([C@@H]1CCCOC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000252496580 464969658 /nfs/dbraw/zinc/96/96/58/464969658.db2.gz PMBQADZEVCTKFS-OAHLLOKOSA-N 0 0 326.400 2.185 40 0 EEABRN C[C@H](C(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499664 464970521 /nfs/dbraw/zinc/97/05/21/464970521.db2.gz SDSLEZAUDWMNPN-YGRLFVJLSA-N 0 0 349.374 2.282 40 0 EEABRN COc1ccc(CN(C)C(=O)[C@@H]2CCCC23OCCO3)c(OC)c1 ZINC000252502806 464972483 /nfs/dbraw/zinc/97/24/83/464972483.db2.gz UTFWXFLEEMQFKR-HNNXBMFYSA-N 0 0 335.400 2.205 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)C1 ZINC000252509715 464975059 /nfs/dbraw/zinc/97/50/59/464975059.db2.gz YTWBSQQKDBWBEN-TUAOUCFPSA-N 0 0 338.429 2.073 40 0 EEABRN CC[C@@H](C(=O)NCc1ccc(C(C)=O)c(C)n1)N1CCO[C@H](CC)C1 ZINC000252509335 464975608 /nfs/dbraw/zinc/97/56/08/464975608.db2.gz YLMHAPCOWZWDSA-AEFFLSMTSA-N 0 0 347.459 2.098 40 0 EEABRN COC(=O)[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccc(F)cc1 ZINC000192752667 464989993 /nfs/dbraw/zinc/98/99/93/464989993.db2.gz RQQKPIUQZNYKOU-ZDUSSCGKSA-N 0 0 331.347 2.113 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCC[C@H]1CCCCO1 ZINC000253370109 464994273 /nfs/dbraw/zinc/99/42/73/464994273.db2.gz MHEBYHLYXMXHKZ-KXMBVRIMSA-N 0 0 330.494 2.325 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H](C)[C@H]2CO)c1 ZINC000253369834 464995155 /nfs/dbraw/zinc/99/51/55/464995155.db2.gz IPMFSBGUBGMPGA-NVXWUHKLSA-N 0 0 325.474 2.252 40 0 EEABRN C[C@@H](NC(=O)C1CCN(CC(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000253413429 465003063 /nfs/dbraw/zinc/00/30/63/465003063.db2.gz ZNPPFZKGHCSLDS-BDJLRTHQSA-N 0 0 344.377 2.341 40 0 EEABRN CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccccc3O)C2)no1 ZINC000253425281 465009955 /nfs/dbraw/zinc/00/99/55/465009955.db2.gz RWDIKCVVGWFEFJ-CYBMUJFWSA-N 0 0 344.415 2.245 40 0 EEABRN c1cnc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)CC2)nc1 ZINC000306140728 466493475 /nfs/dbraw/zinc/49/34/75/466493475.db2.gz VCHOCVNRGSRLGJ-IBGZPJMESA-N 0 0 339.443 2.133 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)OCC)c1 ZINC000408585819 466681035 /nfs/dbraw/zinc/68/10/35/466681035.db2.gz JTZOZPOELMINPT-UHFFFAOYSA-N 0 0 330.406 2.342 40 0 EEABRN Cn1nc(-c2ccccc2)cc1C(=O)N1CC(OCC(F)(F)F)C1 ZINC000390830829 467413256 /nfs/dbraw/zinc/41/32/56/467413256.db2.gz NSPALKUSZPXJCC-UHFFFAOYSA-N 0 0 339.317 2.490 40 0 EEABRN CCO[C@@H]1CSC2(CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000575404682 468141476 /nfs/dbraw/zinc/14/14/76/468141476.db2.gz UGEPBGZBZQMOJB-ZDUSSCGKSA-N 0 0 327.471 2.280 40 0 EEABRN COc1cccc(CCC(=O)NCc2nc(C3CCOCC3)no2)c1 ZINC000575606699 468146604 /nfs/dbraw/zinc/14/66/04/468146604.db2.gz LGGBPRGBRYGARP-UHFFFAOYSA-N 0 0 345.399 2.221 40 0 EEABRN Cc1cc2c(N3CCN(c4ccc(C5CC5)nn4)CC3)nccn2n1 ZINC000575609265 468147594 /nfs/dbraw/zinc/14/75/94/468147594.db2.gz TXSRFNVKHJIIRC-UHFFFAOYSA-N 0 0 335.415 2.032 40 0 EEABRN Cc1ccccc1CCC(=O)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093412 468963174 /nfs/dbraw/zinc/96/31/74/468963174.db2.gz VEWLQNTZERCBQJ-QGZVFWFLSA-N 0 0 336.382 2.302 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C ZINC000585096667 468964764 /nfs/dbraw/zinc/96/47/64/468964764.db2.gz ZLAIQWIWIKMTQC-ZDUSSCGKSA-N 0 0 344.415 2.355 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@H]2C ZINC000585097395 468965125 /nfs/dbraw/zinc/96/51/25/468965125.db2.gz KUONAGZYXYOENW-LBPRGKRZSA-N 0 0 332.379 2.100 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000585101037 468968283 /nfs/dbraw/zinc/96/82/83/468968283.db2.gz YIERNZHQARMJHE-RJYAGPCLSA-N 0 0 345.418 2.171 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000585103216 468970518 /nfs/dbraw/zinc/97/05/18/468970518.db2.gz SGMWDBJVBKMXIS-PXNSSMCTSA-N 0 0 344.455 2.011 40 0 EEABRN O=C(CC1CC1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111180 468975463 /nfs/dbraw/zinc/97/54/63/468975463.db2.gz HXDCSYSIQHOMNJ-QGZVFWFLSA-N 0 0 325.412 2.462 40 0 EEABRN Cc1noc([C@@H]2CCC3(CCN(C(=O)c4nnsc4C)CC3)O2)n1 ZINC000585113414 468976699 /nfs/dbraw/zinc/97/66/99/468976699.db2.gz CEDYWLSJPIUKGR-NSHDSACASA-N 0 0 349.416 2.064 40 0 EEABRN CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C)cs1 ZINC000585124200 468983424 /nfs/dbraw/zinc/98/34/24/468983424.db2.gz YCYZOSUSQORMFK-DGCLKSJQSA-N 0 0 341.458 2.081 40 0 EEABRN COC(=O)c1ncc(NC(=O)N(C)C[C@H]2CCCOC2)cc1Cl ZINC000585140514 468988669 /nfs/dbraw/zinc/98/86/69/468988669.db2.gz GMGVVFRITTTXDP-SNVBAGLBSA-N 0 0 341.795 2.412 40 0 EEABRN CCc1cc(NC(=O)NCc2noc(-c3ccccc3)n2)n(C)n1 ZINC000585141300 468989647 /nfs/dbraw/zinc/98/96/47/468989647.db2.gz SDKSKSKABAGAMS-UHFFFAOYSA-N 0 0 326.360 2.354 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000585141537 468990064 /nfs/dbraw/zinc/99/00/64/468990064.db2.gz CAKZMMRHAINSQG-JKSUJKDBSA-N 0 0 349.456 2.181 40 0 EEABRN Cc1ccc(C)n1-c1c(C(=O)NOCc2cccc(C)n2)cnn1C ZINC000585141380 468990175 /nfs/dbraw/zinc/99/01/75/468990175.db2.gz TYLWHFIAHWGUIL-UHFFFAOYSA-N 0 0 339.399 2.393 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCCn3cccn3)C2)c1 ZINC000585274038 468999135 /nfs/dbraw/zinc/99/91/35/468999135.db2.gz YYHNTXNNDONOFC-LJQANCHMSA-N 0 0 343.427 2.014 40 0 EEABRN CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000585277251 469002075 /nfs/dbraw/zinc/00/20/75/469002075.db2.gz LHGVPZBOVKJXAP-IBGZPJMESA-N 0 0 348.443 2.234 40 0 EEABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585278441 469003500 /nfs/dbraw/zinc/00/35/00/469003500.db2.gz SNAWMLZWFOETEX-GOSISDBHSA-N 0 0 329.400 2.120 40 0 EEABRN CO[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)[C@H]1CCC(N)=O ZINC000585279095 469005142 /nfs/dbraw/zinc/00/51/42/469005142.db2.gz SUHBKHSFYGFFLS-HOTGVXAUSA-N 0 0 336.407 2.030 40 0 EEABRN COCCC(=O)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585286469 469010108 /nfs/dbraw/zinc/01/01/08/469010108.db2.gz YLILWQLWSCPGTL-DJSGYFEHSA-N 0 0 327.808 2.011 40 0 EEABRN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000649978851 470759871 /nfs/dbraw/zinc/75/98/71/470759871.db2.gz IEMYFUMPKDYUDL-CQSZACIVSA-N 0 0 334.330 2.234 40 0 EEABRN COCC1(C2CCC2)CN(C(=O)NCc2cnn3ccccc23)C1 ZINC000664877471 471887856 /nfs/dbraw/zinc/88/78/56/471887856.db2.gz JIJPIFOFFQGYFN-UHFFFAOYSA-N 0 0 328.416 2.292 40 0 EEABRN Cc1ccc(Br)cc1CNC(=O)N1CC[C@@](C)(O)C1 ZINC000187597991 534254247 /nfs/dbraw/zinc/25/42/47/534254247.db2.gz MLQOMMOKPXLIIY-CQSZACIVSA-N 0 0 327.222 2.424 40 0 EEABRN CC(C)(C)c1nc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)no1 ZINC000095417256 519099631 /nfs/dbraw/zinc/09/96/31/519099631.db2.gz VUFTTYQCNXREEN-AWEZNQCLSA-N 0 0 344.415 2.168 40 0 EEABRN CC(C)(C)C(=O)N1CCC(Cc2cncc(N3CCOC3=O)n2)CC1 ZINC000257336389 534432375 /nfs/dbraw/zinc/43/23/75/534432375.db2.gz YOEVFNVETPDEHU-UHFFFAOYSA-N 0 0 346.431 2.260 40 0 EEABRN CCCc1nnc(SCC(=O)N(CC)CC)n1C[C@H]1CCCO1 ZINC000001355856 521569589 /nfs/dbraw/zinc/56/95/89/521569589.db2.gz KZYCHOCSMCMLMF-CYBMUJFWSA-N 0 0 340.493 2.370 40 0 EEABRN Cc1cccc2nc(C(=O)N3CCC[C@@H]4[C@H]3CCCC(=O)N4C)cn21 ZINC000257228997 524973527 /nfs/dbraw/zinc/97/35/27/524973527.db2.gz FWDXGKZTFLQDMU-HZPDHXFCSA-N 0 0 340.427 2.258 40 0 EEABRN CC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000191459263 526723185 /nfs/dbraw/zinc/72/31/85/526723185.db2.gz KMPLFOSTSPLIBT-LBPRGKRZSA-N 0 0 344.242 2.215 40 0 EEABRN NC(=O)c1ccc(-c2nnn(CCCCC3CCOCC3)n2)cc1 ZINC000225570332 527036572 /nfs/dbraw/zinc/03/65/72/527036572.db2.gz IWIYEDDRTNAZBG-UHFFFAOYSA-N 0 0 329.404 2.036 40 0 EEABRN CC1(C)CN(C(=O)NCCCn2ccnn2)CC[C@@H]1C(F)(F)F ZINC000189901562 529083688 /nfs/dbraw/zinc/08/36/88/529083688.db2.gz HOULOLCSYONAIB-NSHDSACASA-N 0 0 333.358 2.288 40 0 EEABRN CC[C@@H](C(=O)N1CCC(NC(=O)C2(O)CCC2)CC1)c1ccccc1 ZINC000184519947 529274803 /nfs/dbraw/zinc/27/48/03/529274803.db2.gz TVNQKCDMRVVBEE-QGZVFWFLSA-N 0 0 344.455 2.202 40 0 EEABRN CC(C)=CC(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000239579095 535342013 /nfs/dbraw/zinc/34/20/13/535342013.db2.gz DENOLWUUVKJKMT-UHFFFAOYSA-N 0 0 341.411 2.412 40 0 EEABRN CCc1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)no1 ZINC000257264873 536113379 /nfs/dbraw/zinc/11/33/79/536113379.db2.gz LWICVZYCFUZGHG-SJLPKXTDSA-N 0 0 348.374 2.421 40 0 EEABRN COc1ccc(Br)c(C(=O)N2CCc3ncncc3C2)c1 ZINC000211123578 536624123 /nfs/dbraw/zinc/62/41/23/536624123.db2.gz GNZIKBXOROAYER-UHFFFAOYSA-N 0 0 348.200 2.446 40 0 EEABRN COCc1nsc(N(C)CC(=O)Nc2cccc(Cl)c2)n1 ZINC000225599077 536832217 /nfs/dbraw/zinc/83/22/17/536832217.db2.gz GQPQQDDOZAOQLB-UHFFFAOYSA-N 0 0 326.809 2.413 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3cccnc3)CCN2C(C)=O)cc1 ZINC000257288927 536944649 /nfs/dbraw/zinc/94/46/49/536944649.db2.gz PWGWHBQTZLAGBF-GOSISDBHSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1ccc(O)c(NC(=O)C2(n3cc(Br)cn3)CC2)n1 ZINC000935706727 1208204034 /nfs/dbraw/zinc/20/40/34/1208204034.db2.gz RZAPLYUSJYARHH-UHFFFAOYSA-N 0 0 337.177 2.182 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)c1 ZINC000907522255 784690458 /nfs/dbraw/zinc/69/04/58/784690458.db2.gz AVJOIDQWYXUBSA-KRWDZBQOSA-N 0 0 345.424 2.049 40 0 EEABRN CC(C)(C)n1ncc2c1ncnc2N1CCC[C@H](n2ccnn2)CC1 ZINC000822289342 798650918 /nfs/dbraw/zinc/65/09/18/798650918.db2.gz PBEJPAFBJPGBFU-ZDUSSCGKSA-N 0 0 340.435 2.404 40 0 EEABRN OCc1ccnc(N2CCC[C@H]2c2cncc(Br)c2)n1 ZINC001548451760 1110431631 /nfs/dbraw/zinc/43/16/31/1110431631.db2.gz BXPSBAUHEKUJDH-ZDUSSCGKSA-N 0 0 335.205 2.468 40 0 EEABRN O=c1n(Cc2ccccc2F)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC001547201261 1124226654 /nfs/dbraw/zinc/22/66/54/1124226654.db2.gz UAYYCGLZOUMIJT-UHFFFAOYSA-N 0 0 342.305 2.360 40 0 EEABRN CCOc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cc1 ZINC000054272820 214227962 /nfs/dbraw/zinc/22/79/62/214227962.db2.gz ICOJFQMTINMDTJ-UHFFFAOYSA-N 0 0 340.445 2.276 40 0 EEABRN CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(NC(=O)OCC)c1C ZINC000058157957 214485748 /nfs/dbraw/zinc/48/57/48/214485748.db2.gz MOUBGTMRHKXWJR-LLVKDONJSA-N 0 0 336.392 2.210 40 0 EEABRN CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 ZINC000003903747 210089069 /nfs/dbraw/zinc/08/90/69/210089069.db2.gz GWAMOFMDAYLAKA-PASDCYSWSA-N 0 0 333.428 2.300 40 0 EEABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2OC)cn1 ZINC000066915261 215094032 /nfs/dbraw/zinc/09/40/32/215094032.db2.gz YDXDAYJBWCXJDK-HNNXBMFYSA-N 0 0 349.456 2.307 40 0 EEABRN C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)n1ccnc1 ZINC000068353409 215302465 /nfs/dbraw/zinc/30/24/65/215302465.db2.gz TVZDRUCNDXLFGG-BXUZGUMPSA-N 0 0 348.403 2.123 40 0 EEABRN Cc1ccc(Cn2cccc/c2=N\C(=O)Cn2ccccc2=O)cc1 ZINC000104082834 219346262 /nfs/dbraw/zinc/34/62/62/219346262.db2.gz PPBQEHLYCJVLPY-DYTRJAOYSA-N 0 0 333.391 2.134 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)Sc2ccccc2NC1=O ZINC000040774293 213384400 /nfs/dbraw/zinc/38/44/00/213384400.db2.gz UJSDXTRKIWMCEI-QGZVFWFLSA-N 0 0 344.440 2.156 40 0 EEABRN Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 ZINC000040386779 213295857 /nfs/dbraw/zinc/29/58/57/213295857.db2.gz HIEPPLDXOOHXSI-SNVBAGLBSA-N 0 0 333.779 2.145 40 0 EEABRN CCc1nn2c(ncc3c2ccn(N(C)C)c3=O)c1-c1ccccc1 ZINC000040387913 213295916 /nfs/dbraw/zinc/29/59/16/213295916.db2.gz SLJBBLQPKLDYNW-UHFFFAOYSA-N 0 0 333.395 2.471 40 0 EEABRN C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000040140937 213272342 /nfs/dbraw/zinc/27/23/42/213272342.db2.gz UBRXYSBNXURXIW-XIKOKIGWSA-N 0 0 341.363 2.475 40 0 EEABRN C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000040140939 213272008 /nfs/dbraw/zinc/27/20/08/213272008.db2.gz UBRXYSBNXURXIW-KPZWWZAWSA-N 0 0 341.363 2.475 40 0 EEABRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1 ZINC000000806181 209687427 /nfs/dbraw/zinc/68/74/27/209687427.db2.gz OXESAUALZYBJKE-UHFFFAOYSA-N 0 0 334.397 2.331 40 0 EEABRN Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1 ZINC000038511283 213212699 /nfs/dbraw/zinc/21/26/99/213212699.db2.gz DWOLMRIEVMMXJL-ZDUSSCGKSA-N 0 0 338.411 2.209 40 0 EEABRN O=c1c2c(ncn1Cc1nn(-c3ccccc3)c3c1CCC3)CCC2 ZINC000184065307 235296693 /nfs/dbraw/zinc/29/66/93/235296693.db2.gz ZAIADFXFCOEYTL-UHFFFAOYSA-N 0 0 332.407 2.455 40 0 EEABRN CC(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 ZINC000032132762 212791771 /nfs/dbraw/zinc/79/17/71/212791771.db2.gz BDWXGEIHUXSMQS-SXGWCWSVSA-N 0 0 338.363 2.209 40 0 EEABRN C[C@@H](C[S@@](C)=O)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000189903986 237381991 /nfs/dbraw/zinc/38/19/91/237381991.db2.gz GXEZJBMZYVOOTM-MLMJSJRWSA-N 0 0 330.400 2.406 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1F ZINC000072241532 216080271 /nfs/dbraw/zinc/08/02/71/216080271.db2.gz NPDONOZYORSMCQ-HOTGVXAUSA-N 0 0 348.399 2.102 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)n1 ZINC000072241608 216080378 /nfs/dbraw/zinc/08/03/78/216080378.db2.gz HPKNTKRNRKRINP-IAGOWNOFSA-N 0 0 343.358 2.066 40 0 EEABRN O=C(NCCCn1cnc2ccccc21)[C@H]1COc2ccccc2O1 ZINC000072242629 216082581 /nfs/dbraw/zinc/08/25/81/216082581.db2.gz ICRPDGBMXHXTJH-GOSISDBHSA-N 0 0 337.379 2.383 40 0 EEABRN Cc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)n1 ZINC000072242605 216081195 /nfs/dbraw/zinc/08/11/95/216081195.db2.gz HYCLDZJPZJUVHA-MRXNPFEDSA-N 0 0 348.410 2.237 40 0 EEABRN CCOc1cc(C(=O)NCCCn2cccn2)nn1-c1ccccc1 ZINC000072264685 216086095 /nfs/dbraw/zinc/08/60/95/216086095.db2.gz FEOPVYFHMUNFBO-UHFFFAOYSA-N 0 0 339.399 2.288 40 0 EEABRN COc1ccc(-c2ccc(=O)n(CC3CCN(C(C)=O)CC3)n2)cc1 ZINC000072334804 216156021 /nfs/dbraw/zinc/15/60/21/216156021.db2.gz WENXWXHGDSRWTB-UHFFFAOYSA-N 0 0 341.411 2.177 40 0 EEABRN Cn1cc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072354619 216163560 /nfs/dbraw/zinc/16/35/60/216163560.db2.gz KHQQTNITSKQAFV-MRXNPFEDSA-N 0 0 348.410 2.437 40 0 EEABRN COc1ccc(-c2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)cc1 ZINC000072367815 216175060 /nfs/dbraw/zinc/17/50/60/216175060.db2.gz UHKQJHACMVXNJN-OAHLLOKOSA-N 0 0 325.412 2.422 40 0 EEABRN COc1cc(CCC(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)on1 ZINC000072369712 216178056 /nfs/dbraw/zinc/17/80/56/216178056.db2.gz ZXQFUHQPMJTPEW-ZDUSSCGKSA-N 0 0 330.388 2.039 40 0 EEABRN CC(C)S(=O)(=O)N1CCC[C@@H]1c1nccnc1Nc1ccccn1 ZINC000072384839 216185501 /nfs/dbraw/zinc/18/55/01/216185501.db2.gz BTEHLHRNZLYADF-CYBMUJFWSA-N 0 0 347.444 2.490 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@@H]2CC[N@H+](CCC(=O)[O-])C2)n1 ZINC000072384687 216185189 /nfs/dbraw/zinc/18/51/89/216185189.db2.gz UXICRSHULBNACW-CYBMUJFWSA-N 0 0 327.388 2.188 40 0 EEABRN NC(=O)c1ccc([C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388127 216188083 /nfs/dbraw/zinc/18/80/83/216188083.db2.gz JBYLAWFNDLAZTR-SFHVURJKSA-N 0 0 336.395 2.235 40 0 EEABRN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccs1 ZINC000000061398 209394990 /nfs/dbraw/zinc/39/49/90/209394990.db2.gz DBLKROFGNLXBPQ-LBPRGKRZSA-N 0 0 333.365 2.267 40 0 EEABRN Cc1nc(NC(=O)CCn2ccccc2=O)ccc1Br ZINC000072512083 216266799 /nfs/dbraw/zinc/26/67/99/216266799.db2.gz GXPAUNSIKMZELR-UHFFFAOYSA-N 0 0 336.189 2.343 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000131257567 223217819 /nfs/dbraw/zinc/21/78/19/223217819.db2.gz ITZJDQRNJDLNOX-HNNXBMFYSA-N 0 0 327.432 2.139 40 0 EEABRN CC1CCN(C(=O)[C@@H]2CCCN(C(=O)CC3(O)CCCC3)C2)CC1 ZINC000073126474 216352938 /nfs/dbraw/zinc/35/29/38/216352938.db2.gz SBTVJBGQVAAUBI-MRXNPFEDSA-N 0 0 336.476 2.179 40 0 EEABRN CCc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000074581919 216500034 /nfs/dbraw/zinc/50/00/34/216500034.db2.gz LCKOHFCIIUKZGF-JSGCOSHPSA-N 0 0 330.413 2.259 40 0 EEABRN Cc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000022230484 212283650 /nfs/dbraw/zinc/28/36/50/212283650.db2.gz HTNNFLDGOXQZDA-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1csc(C)n1 ZINC000195197754 240871041 /nfs/dbraw/zinc/87/10/41/240871041.db2.gz MAWSLNCAFQKOPD-UHFFFAOYSA-N 0 0 349.441 2.099 40 0 EEABRN O=C(CN1CCOC1=O)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219129697 241367515 /nfs/dbraw/zinc/36/75/15/241367515.db2.gz UFXBUFPUMXRPPQ-CQSZACIVSA-N 0 0 338.404 2.285 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)c1 ZINC000225930560 242077303 /nfs/dbraw/zinc/07/73/03/242077303.db2.gz NHJISQAXMSBSCF-UHFFFAOYSA-N 0 0 338.473 2.327 40 0 EEABRN O=C(Cn1ccc2ccc(Cl)cc21)N1CCO[C@H](c2ncon2)C1 ZINC000253430083 243979356 /nfs/dbraw/zinc/97/93/56/243979356.db2.gz PTGYITZIYHHHEB-AWEZNQCLSA-N 0 0 346.774 2.278 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2CNC3=O)no1 ZINC000253479869 244002329 /nfs/dbraw/zinc/00/23/29/244002329.db2.gz SVBNUFOIVTXBJD-UHFFFAOYSA-N 0 0 339.395 2.078 40 0 EEABRN Cc1ccsc1CN1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000253599113 244032275 /nfs/dbraw/zinc/03/22/75/244032275.db2.gz LBDSEYYAYAJBPH-OAHLLOKOSA-N 0 0 346.456 2.364 40 0 EEABRN Cc1cc(C)n(CC(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)n1 ZINC000257203553 244128443 /nfs/dbraw/zinc/12/84/43/244128443.db2.gz AQQCZSYSIYAQBB-SFHVURJKSA-N 0 0 343.431 2.022 40 0 EEABRN CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cnc(N)nc3)n2)C1 ZINC000257218110 244174869 /nfs/dbraw/zinc/17/48/69/244174869.db2.gz DBXQVKFHNMTPQE-CQSZACIVSA-N 0 0 341.415 2.152 40 0 EEABRN C[C@]12CCCCN(C(=O)c3n[nH]c4c3CCCC4)[C@H]1CCCC(=O)N2 ZINC000257207840 244140927 /nfs/dbraw/zinc/14/09/27/244140927.db2.gz BJOJCGFWYMMXTO-KXBFYZLASA-N 0 0 344.459 2.342 40 0 EEABRN Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257209816 244145747 /nfs/dbraw/zinc/14/57/47/244145747.db2.gz BRZKELHCSRLYRK-INIZCTEOSA-N 0 0 334.383 2.343 40 0 EEABRN Cc1nccnc1CC[C@@H]1COCCN1C(=O)CC1(O)CCCCC1 ZINC000257224771 244198261 /nfs/dbraw/zinc/19/82/61/244198261.db2.gz FDHKWSQBJYQDMN-MRXNPFEDSA-N 0 0 347.459 2.030 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)Cc2sc(=S)[nH]c2C)c1 ZINC000077124555 216843917 /nfs/dbraw/zinc/84/39/17/216843917.db2.gz CTPGPCJMTWRUEQ-UHFFFAOYSA-N 0 0 349.481 2.001 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)n1 ZINC000257232194 244215288 /nfs/dbraw/zinc/21/52/88/244215288.db2.gz GJUGIBHWRPTOQQ-SFHVURJKSA-N 0 0 340.427 2.339 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257231651 244215746 /nfs/dbraw/zinc/21/57/46/244215746.db2.gz GHQSDKFNSKJLDW-UHFFFAOYSA-N 0 0 339.399 2.283 40 0 EEABRN Cc1ccnc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219614 244178366 /nfs/dbraw/zinc/17/83/66/244178366.db2.gz DHKYYWYPPUMNCL-KRWDZBQOSA-N 0 0 327.384 2.130 40 0 EEABRN NC(=O)[C@]1(CCCc2cnccn2)CCN1Cc1ccc(F)cc1 ZINC000257235454 244226332 /nfs/dbraw/zinc/22/63/32/244226332.db2.gz GXXLAWDSUCLYST-SFHVURJKSA-N 0 0 328.391 2.068 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257241092 244245248 /nfs/dbraw/zinc/24/52/48/244245248.db2.gz HWOHGUOSIIMDPK-GFCCVEGCSA-N 0 0 331.347 2.106 40 0 EEABRN CC[C@@H](C)NC(=O)c1cc(C)nc(C2(C)CCN(C(C)=O)CC2)n1 ZINC000257247660 244260433 /nfs/dbraw/zinc/26/04/33/244260433.db2.gz IZZFDAXDJPSWSD-GFCCVEGCSA-N 0 0 332.448 2.213 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)cs1 ZINC000257252885 244271942 /nfs/dbraw/zinc/27/19/42/244271942.db2.gz JWNFQEVXANHQFN-CQSZACIVSA-N 0 0 332.429 2.001 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccn1 ZINC000257254318 244278233 /nfs/dbraw/zinc/27/82/33/244278233.db2.gz KCODLJPMDGUWON-HNNXBMFYSA-N 0 0 344.415 2.429 40 0 EEABRN O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257257203 244283205 /nfs/dbraw/zinc/28/32/05/244283205.db2.gz KONPVFDVDMYUCJ-AWEZNQCLSA-N 0 0 347.365 2.015 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000257258323 244290489 /nfs/dbraw/zinc/29/04/89/244290489.db2.gz KTIFHKSBPIIJQW-ZDUSSCGKSA-N 0 0 335.404 2.411 40 0 EEABRN O=C(c1ccc2c(c1)CCC2)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257258744 244291365 /nfs/dbraw/zinc/29/13/65/244291365.db2.gz KVIAXJNBNMKZRL-OAHLLOKOSA-N 0 0 337.423 2.297 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cc(C)cs2)n1 ZINC000257266008 244360657 /nfs/dbraw/zinc/36/06/57/244360657.db2.gz MBFMLHGUPBNXEM-LBPRGKRZSA-N 0 0 332.429 2.410 40 0 EEABRN Cc1cc(CC[C@H]2CN(C(=O)Cc3ccccc3F)CCO2)ncn1 ZINC000257261173 244346771 /nfs/dbraw/zinc/34/67/71/244346771.db2.gz LGAZPRZMZZFNTP-KRWDZBQOSA-N 0 0 343.402 2.327 40 0 EEABRN COCC(=O)N1CCC2(CCO[C@H]2Cc2ccc(OC)cc2)CC1 ZINC000257271668 244379176 /nfs/dbraw/zinc/37/91/76/244379176.db2.gz MZHAVKSULLHZBB-KRWDZBQOSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)no1 ZINC000257331642 244551137 /nfs/dbraw/zinc/55/11/37/244551137.db2.gz XTRGBCJSBHFTHK-ZDUSSCGKSA-N 0 0 327.344 2.099 40 0 EEABRN Cn1nccc1CCC(=O)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257324935 244530816 /nfs/dbraw/zinc/53/08/16/244530816.db2.gz WQUVFOMFOTZPGL-AWEZNQCLSA-N 0 0 338.415 2.030 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)on1 ZINC000019522745 212036995 /nfs/dbraw/zinc/03/69/95/212036995.db2.gz NMYKTLRLPPLGDR-ZDUSSCGKSA-N 0 0 330.388 2.168 40 0 EEABRN O=C(C1CCCC1)N1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019374812 212024609 /nfs/dbraw/zinc/02/46/09/212024609.db2.gz QXMJHPFUDUPIJX-UHFFFAOYSA-N 0 0 328.412 2.360 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)cc1F ZINC000077939836 217003974 /nfs/dbraw/zinc/00/39/74/217003974.db2.gz RGROYKTVZAUOIO-ZANVPECISA-N 0 0 328.771 2.085 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402481 212026043 /nfs/dbraw/zinc/02/60/43/212026043.db2.gz VPCPGPWKLZTZAV-INIZCTEOSA-N 0 0 347.378 2.204 40 0 EEABRN O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000013320900 304159334 /nfs/dbraw/zinc/15/93/34/304159334.db2.gz KRHNZEPQXTXLJB-HDEZJCGLSA-N 0 0 334.460 2.210 40 0 EEABRN Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000078395030 217047690 /nfs/dbraw/zinc/04/76/90/217047690.db2.gz FYTZUWDGIWPPAA-KRWDZBQOSA-N 0 0 349.390 2.476 40 0 EEABRN O=C(c1csc(CCc2ccccc2)n1)N1CCCS1(=O)=O ZINC000078657779 217097055 /nfs/dbraw/zinc/09/70/55/217097055.db2.gz UIJKDECTXTYKBW-UHFFFAOYSA-N 0 0 336.438 2.104 40 0 EEABRN Cc1ncc(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)s1 ZINC000078663642 217097953 /nfs/dbraw/zinc/09/79/53/217097953.db2.gz FQWBMMJOBATKJJ-CYBMUJFWSA-N 0 0 334.449 2.186 40 0 EEABRN CCNC(=O)c1cc(Cl)ccc1NC(=O)CCCn1cncn1 ZINC000079049850 217181718 /nfs/dbraw/zinc/18/17/18/217181718.db2.gz FXFDHVVMQMQHPC-UHFFFAOYSA-N 0 0 335.795 2.100 40 0 EEABRN O=C(CCc1cccnc1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000079048725 217181827 /nfs/dbraw/zinc/18/18/27/217181827.db2.gz JSINHMSRCIBYHU-SFHVURJKSA-N 0 0 349.394 2.234 40 0 EEABRN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNC(=O)CC1 ZINC000079310102 217206794 /nfs/dbraw/zinc/20/67/94/217206794.db2.gz CIYDPXVZTNSVND-UHFFFAOYSA-N 0 0 342.370 2.367 40 0 EEABRN CCOCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354414 217214319 /nfs/dbraw/zinc/21/43/19/217214319.db2.gz YPKHBYUNEPXSAM-ZWKOTPCHSA-N 0 0 332.444 2.093 40 0 EEABRN CCCn1nc(C(=O)N[C@H](c2ncccc2C)C(C)C)ccc1=O ZINC000079358174 217215403 /nfs/dbraw/zinc/21/54/03/217215403.db2.gz RHBNNCGOFZFUKA-INIZCTEOSA-N 0 0 328.416 2.484 40 0 EEABRN CC[N@@H+](CC(=O)[O-])C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391561 217218655 /nfs/dbraw/zinc/21/86/55/217218655.db2.gz VVWREGMJUZCNCI-INIZCTEOSA-N 0 0 334.416 2.442 40 0 EEABRN Cc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000015935442 211870880 /nfs/dbraw/zinc/87/08/80/211870880.db2.gz XWKNRQYSXVHGOZ-GFCCVEGCSA-N 0 0 331.401 2.482 40 0 EEABRN C[C@H](NC(=O)N1CCNC(=O)[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000080742553 217329819 /nfs/dbraw/zinc/32/98/19/217329819.db2.gz HFAPLVLRQVLHAO-UONOGXRCSA-N 0 0 338.411 2.340 40 0 EEABRN COc1cccc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)c1 ZINC000012337197 211350738 /nfs/dbraw/zinc/35/07/38/211350738.db2.gz WWNVQFXVHIDUNG-UHFFFAOYSA-N 0 0 327.384 2.164 40 0 EEABRN CC(C)[C@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200446 211318438 /nfs/dbraw/zinc/31/84/38/211318438.db2.gz QWHDZZMZKAILCW-JQWIXIFHSA-N 0 0 337.445 2.280 40 0 EEABRN CCOC(=O)c1n[nH]cc1CN1CCC(O)(c2ccccc2C)CC1 ZINC000012116818 211296688 /nfs/dbraw/zinc/29/66/88/211296688.db2.gz YVWLEFRNSPJKOR-UHFFFAOYSA-N 0 0 343.427 2.378 40 0 EEABRN Cc1nc(C)n([C@@H](C)CNC(=O)Cn2ccc3ccc(F)cc32)n1 ZINC000012148355 211307867 /nfs/dbraw/zinc/30/78/67/211307867.db2.gz FDGUNDCZDIVEEE-NSHDSACASA-N 0 0 329.379 2.366 40 0 EEABRN O=C(c1ccccn1)N1CC[C@@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000091741968 218056837 /nfs/dbraw/zinc/05/68/37/218056837.db2.gz YECGIFDAZYCPOA-LLVKDONJSA-N 0 0 334.326 2.405 40 0 EEABRN O=C(c1ccno1)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC000096159941 284730706 /nfs/dbraw/zinc/73/07/06/284730706.db2.gz RERTWUSQTLXPPV-KBXCAEBGSA-N 0 0 343.383 2.160 40 0 EEABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)C1 ZINC000010541345 211179804 /nfs/dbraw/zinc/17/98/04/211179804.db2.gz TZAPKWJJVYDVPJ-GFCCVEGCSA-N 0 0 344.864 2.365 40 0 EEABRN CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010365607 211169156 /nfs/dbraw/zinc/16/91/56/211169156.db2.gz LBDRDCGEMPXHLR-UHFFFAOYSA-N 0 0 336.388 2.152 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2nccn2CC(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000095400961 218335782 /nfs/dbraw/zinc/33/57/82/218335782.db2.gz JOHQNPYPGGMGAZ-JLLWLGSASA-N 0 0 346.353 2.058 40 0 EEABRN COc1cccc(CNC(=O)NCCc2nc3c(s2)CCCC3)n1 ZINC000095452019 218396570 /nfs/dbraw/zinc/39/65/70/218396570.db2.gz ZXYAPLYKSBWPOF-UHFFFAOYSA-N 0 0 346.456 2.467 40 0 EEABRN Cc1nnc(N2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)s1 ZINC000096040937 218522990 /nfs/dbraw/zinc/52/29/90/218522990.db2.gz XWLZKAQLLQPPOW-ILXRZTDVSA-N 0 0 339.461 2.026 40 0 EEABRN CN(C)C(=O)[C@H]1CCC2(CCN(C(=O)Nc3cccc(F)c3)CC2)O1 ZINC000096061149 218554482 /nfs/dbraw/zinc/55/44/82/218554482.db2.gz CTZJLNXYUGGWRB-OAHLLOKOSA-N 0 0 349.406 2.459 40 0 EEABRN O=C(C1CC=CC1)N1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC000096069662 218567483 /nfs/dbraw/zinc/56/74/83/218567483.db2.gz RSOFSLXHHGSMCK-INIZCTEOSA-N 0 0 325.412 2.013 40 0 EEABRN O=C(NC1CCCC1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099540 218592699 /nfs/dbraw/zinc/59/26/99/218592699.db2.gz YKMXKYHAIXKIQX-UHFFFAOYSA-N 0 0 340.445 2.311 40 0 EEABRN COc1ncc(NC(=O)Cc2ccc(F)cc2)c(N2CCCC2)n1 ZINC000096121389 218612785 /nfs/dbraw/zinc/61/27/85/218612785.db2.gz BOWXYVBMNHLLJZ-UHFFFAOYSA-N 0 0 330.363 2.406 40 0 EEABRN Cc1ncoc1C(=O)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110394 218605948 /nfs/dbraw/zinc/60/59/48/218605948.db2.gz XZOXRBFXNGKIJM-QAPCUYQASA-N 0 0 343.383 2.078 40 0 EEABRN Fc1cnc(N2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186133 218651353 /nfs/dbraw/zinc/65/13/53/218651353.db2.gz OOFVLMMCLORDDU-IKGGRYGDSA-N 0 0 344.390 2.354 40 0 EEABRN CCOC[C@H]1c2c(cnn2C)CCN1S(=O)(=O)c1cccc(C)c1 ZINC000096197742 218667620 /nfs/dbraw/zinc/66/76/20/218667620.db2.gz SARFRZIMKMMTFT-INIZCTEOSA-N 0 0 349.456 2.053 40 0 EEABRN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096199666 218671437 /nfs/dbraw/zinc/67/14/37/218671437.db2.gz LPBXBSYFGPWIBY-DLBZAZTESA-N 0 0 342.439 2.173 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@H](OC)[C@@H]2Cc2cccnc2)cc1 ZINC000096200482 218671815 /nfs/dbraw/zinc/67/18/15/218671815.db2.gz XMUHKTAYYHKCLU-OALUTQOASA-N 0 0 340.423 2.491 40 0 EEABRN O=C(CCn1ccccc1=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407374 218758054 /nfs/dbraw/zinc/75/80/54/218758054.db2.gz QSPMPYQUWXGDMZ-MRXNPFEDSA-N 0 0 343.402 2.163 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)Cc1nnc(C)o1)c1ccco1 ZINC000178665131 532978437 /nfs/dbraw/zinc/97/84/37/532978437.db2.gz CMSQIOXBEDPTKJ-QGZVFWFLSA-N 0 0 327.340 2.428 40 0 EEABRN O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1OCC1CC1 ZINC000096420275 218784789 /nfs/dbraw/zinc/78/47/89/218784789.db2.gz IBZGDQNXVSRKQM-UHFFFAOYSA-N 0 0 345.378 2.474 40 0 EEABRN O=C(N[C@@H](c1nccs1)C1CC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425546 218794811 /nfs/dbraw/zinc/79/48/11/218794811.db2.gz HNDULZQBACAHNF-UONOGXRCSA-N 0 0 333.457 2.359 40 0 EEABRN CO[C@@H](CNC(=O)CCn1ccccc1=O)c1cccc(Cl)c1 ZINC000096431914 218806916 /nfs/dbraw/zinc/80/69/16/218806916.db2.gz MMVSVGABWJFFRS-HNNXBMFYSA-N 0 0 334.803 2.396 40 0 EEABRN COc1cccc(-c2noc([C@H](C)NC(=O)[C@@H](C)n3cccn3)n2)c1 ZINC000096432746 218808376 /nfs/dbraw/zinc/80/83/76/218808376.db2.gz VILVEKAVZBILNG-NWDGAFQWSA-N 0 0 341.371 2.380 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1nc2c(s1)COCC2 ZINC000096434982 218812491 /nfs/dbraw/zinc/81/24/91/218812491.db2.gz SKAKCVWZLJTXNP-SECBINFHSA-N 0 0 349.460 2.319 40 0 EEABRN CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000096465853 218845443 /nfs/dbraw/zinc/84/54/43/218845443.db2.gz AYVOOQWNPJXPSQ-LLVKDONJSA-N 0 0 328.844 2.123 40 0 EEABRN CCn1cc(CN(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000096485222 218860982 /nfs/dbraw/zinc/86/09/82/218860982.db2.gz DRZKVZFOSGWCDM-UHFFFAOYSA-N 0 0 326.400 2.067 40 0 EEABRN COc1ccc(C(=O)N2CCCN(c3ncc(C)c(C)n3)CC2)cc1 ZINC000096486666 218863513 /nfs/dbraw/zinc/86/35/13/218863513.db2.gz ZTMWBDLNJGEKPR-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN CC[C@H](CSC)NC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000096490583 218868217 /nfs/dbraw/zinc/86/82/17/218868217.db2.gz KVYJKIUWEUCWIM-NEPJUHHUSA-N 0 0 326.441 2.240 40 0 EEABRN CCc1nn(C)cc1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000096494062 218872039 /nfs/dbraw/zinc/87/20/39/218872039.db2.gz JFROCIAHZSAXIF-KRWDZBQOSA-N 0 0 342.443 2.136 40 0 EEABRN O=C(NCCC1Cc2ccccc2C1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000096500362 218875372 /nfs/dbraw/zinc/87/53/72/218875372.db2.gz QTPDEJYFTBJLJR-OAHLLOKOSA-N 0 0 341.455 2.102 40 0 EEABRN Cc1cc(Br)c(NC(=O)N2CCNC(=O)C2)cc1Cl ZINC000097103424 218955905 /nfs/dbraw/zinc/95/59/05/218955905.db2.gz CDRCXHHFHPWEMC-UHFFFAOYSA-N 0 0 346.612 2.375 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)CC(=O)N2 ZINC000004944302 210334535 /nfs/dbraw/zinc/33/45/35/210334535.db2.gz PJDRZNGBVZVVSM-SNVBAGLBSA-N 0 0 331.397 2.365 40 0 EEABRN COCCCn1nnnc1SCC(=O)Nc1cccc(C)c1C ZINC000004883423 210312153 /nfs/dbraw/zinc/31/21/53/210312153.db2.gz RHIVZNZODMUQPD-UHFFFAOYSA-N 0 0 335.433 2.057 40 0 EEABRN C[C@](O)(CNC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCCC1 ZINC000276749431 256463819 /nfs/dbraw/zinc/46/38/19/256463819.db2.gz MGKUQEPOQIXYNI-AWEZNQCLSA-N 0 0 333.354 2.349 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2COCc1ccncc1)C1(F)CCC1 ZINC000306144265 257926039 /nfs/dbraw/zinc/92/60/39/257926039.db2.gz ZASKJUGZXRGFRR-HNNXBMFYSA-N 0 0 334.391 2.108 40 0 EEABRN COC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000152868913 533286589 /nfs/dbraw/zinc/28/65/89/533286589.db2.gz GPKZTRMRMNQXSU-UHFFFAOYSA-N 0 0 331.412 2.356 40 0 EEABRN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ncccn2)CC1 ZINC000044894927 132416357 /nfs/dbraw/zinc/41/63/57/132416357.db2.gz UBNCDHQNEVMUPX-UHFFFAOYSA-N 0 0 325.368 2.347 40 0 EEABRN Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccc(C)s1)C3 ZINC000208038189 292026307 /nfs/dbraw/zinc/02/63/07/292026307.db2.gz ADXDZCUPMZADBU-UHFFFAOYSA-N 0 0 348.453 2.155 40 0 EEABRN CCOCC[C@H]1CCOC12CN(S(=O)(=O)c1ccccc1C)C2 ZINC000248030224 286132467 /nfs/dbraw/zinc/13/24/67/286132467.db2.gz QAOMREQZVYXDIL-HNNXBMFYSA-N 0 0 339.457 2.201 40 0 EEABRN CS(=O)(=O)C1(C(=O)N2CCc3ccc(Cl)cc3C2)CCC1 ZINC000408322953 286585084 /nfs/dbraw/zinc/58/50/84/286585084.db2.gz WTHPSQRRPLUVSE-UHFFFAOYSA-N 0 0 327.833 2.192 40 0 EEABRN CC(=O)NC[C@@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000176456174 159858384 /nfs/dbraw/zinc/85/83/84/159858384.db2.gz WRPCXRMCHNIKNA-ZDUSSCGKSA-N 0 0 339.386 2.065 40 0 EEABRN O=C([C@H]1[C@H]2[C@@H]1CC[C@@]21CC(=O)c2ccccc2O1)N1CCC[C@H](O)C1 ZINC000072334250 304474001 /nfs/dbraw/zinc/47/40/01/304474001.db2.gz DSNPBMKSPWLAQN-MGMQSQGASA-N 0 0 341.407 2.030 40 0 EEABRN COc1ccccc1O[C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000286574910 274885889 /nfs/dbraw/zinc/88/58/89/274885889.db2.gz QQISPTBFJAYJMO-ZDUSSCGKSA-N 0 0 339.399 2.420 40 0 EEABRN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000079079019 279040349 /nfs/dbraw/zinc/04/03/49/279040349.db2.gz VNWIWCNZWLGMAA-LLVKDONJSA-N 0 0 338.477 2.385 40 0 EEABRN CCc1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)no1 ZINC000257220847 281376993 /nfs/dbraw/zinc/37/69/93/281376993.db2.gz DMLCYRDTJATAEL-MRXNPFEDSA-N 0 0 329.400 2.375 40 0 EEABRN CN(C(=O)CN(C1CCCCC1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000226040963 288801053 /nfs/dbraw/zinc/80/10/53/288801053.db2.gz ZTDCFHXMYITQAT-UHFFFAOYSA-N 0 0 342.436 2.383 40 0 EEABRN O=C(NCC(F)(F)c1ccccc1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332858488 312062927 /nfs/dbraw/zinc/06/29/27/312062927.db2.gz AXLNRTAMTIBVBC-KBPBESRZSA-N 0 0 337.370 2.231 40 0 EEABRN O=C(c1ccc2c(c1)OCCCO2)N1CCNC[C@H]1c1ccncc1 ZINC000333268714 312121725 /nfs/dbraw/zinc/12/17/25/312121725.db2.gz KAZYKCSEIIKEQJ-INIZCTEOSA-N 0 0 339.395 2.030 40 0 EEABRN CC[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000097102924 323321433 /nfs/dbraw/zinc/32/14/33/323321433.db2.gz JUHZHBJPYRDIEH-ZDUSSCGKSA-N 0 0 336.461 2.248 40 0 EEABRN O=C1NC[C@@H]2CN(Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230931 323321510 /nfs/dbraw/zinc/32/15/10/323321510.db2.gz KGQMXMRINFBZRG-CYBMUJFWSA-N 0 0 334.851 2.150 40 0 EEABRN CNC(=O)CNC(=O)Nc1ncccc1O[C@H](C)c1ccccc1 ZINC000163193924 323334430 /nfs/dbraw/zinc/33/44/30/323334430.db2.gz CIXHWEWIWSGKNZ-GFCCVEGCSA-N 0 0 328.372 2.089 40 0 EEABRN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000060292847 462541254 /nfs/dbraw/zinc/54/12/54/462541254.db2.gz IPWYCUIUXDGDRW-QGZVFWFLSA-N 0 0 344.411 2.153 40 0 EEABRN Nc1cc(=O)[nH]c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000016400748 462977515 /nfs/dbraw/zinc/97/75/15/462977515.db2.gz MNRMWRVAFPKSAL-UHFFFAOYSA-N 0 0 340.202 2.090 40 0 EEABRN CN(C)c1ncccc1O[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000252489121 464964533 /nfs/dbraw/zinc/96/45/33/464964533.db2.gz JFYVULMACNBTJP-CQSZACIVSA-N 0 0 325.416 2.473 40 0 EEABRN Cc1nccn1C[C@H](C)CNC(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000252489027 464965344 /nfs/dbraw/zinc/96/53/44/464965344.db2.gz JDURPQTYQJTIMP-QAPCUYQASA-N 0 0 344.459 2.477 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)c1C ZINC000000260629 462551023 /nfs/dbraw/zinc/55/10/23/462551023.db2.gz GGLUUUIYIJSZJJ-GDBMZVCRSA-N 0 0 334.416 2.470 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)c1C ZINC000000260631 462551672 /nfs/dbraw/zinc/55/16/72/462551672.db2.gz GGLUUUIYIJSZJJ-ZBFHGGJFSA-N 0 0 334.416 2.470 40 0 EEABRN COC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000000420497 462561482 /nfs/dbraw/zinc/56/14/82/462561482.db2.gz BEOYIBSKCXZEEM-UHFFFAOYSA-N 0 0 327.793 2.313 40 0 EEABRN Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)c1 ZINC000000488848 462566791 /nfs/dbraw/zinc/56/67/91/462566791.db2.gz VHQBMZYVJDGAKZ-LJCCNALRSA-N 0 0 341.407 2.481 40 0 EEABRN Fc1ccccc1Cn1nnc2c1ncnc2NCc1ccccn1 ZINC000001349120 462579373 /nfs/dbraw/zinc/57/93/73/462579373.db2.gz GPTNPWVIQSLYEJ-UHFFFAOYSA-N 0 0 335.346 2.416 40 0 EEABRN C[C@@]12CC[C@H](O)[C@](C)(CO)[C@H]1CC[C@@H]1C[C@H]3C[C@]12CC[C@@]3(O)CO ZINC000002007600 462589251 /nfs/dbraw/zinc/58/92/51/462589251.db2.gz NOFOAYPPHIUXJR-RNAQZQGESA-N 0 0 338.488 2.086 40 0 EEABRN CCCNC(=O)N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002713500 462600602 /nfs/dbraw/zinc/60/06/02/462600602.db2.gz QIFDQAGTBGXUCW-CYBMUJFWSA-N 0 0 345.852 2.160 40 0 EEABRN Cc1nn(CCC(=O)Nc2cnn(C)c2C)cc1Br ZINC000002805174 462604571 /nfs/dbraw/zinc/60/45/71/462604571.db2.gz JTUZEZFWGWWXMQ-UHFFFAOYSA-N 0 0 326.198 2.025 40 0 EEABRN CCCCN([C@H]1CCS(=O)(=O)C1)P(=O)(OCC)OCC ZINC000003156165 462611331 /nfs/dbraw/zinc/61/13/31/462611331.db2.gz LWWSTJPETUNSPT-LBPRGKRZSA-N 0 0 327.383 2.457 40 0 EEABRN COC(=O)c1ccccc1NC(=O)CNC(=O)c1cccc(C)c1 ZINC000006207021 462679150 /nfs/dbraw/zinc/67/91/50/462679150.db2.gz KJASURVXHDIBDJ-UHFFFAOYSA-N 0 0 326.352 2.150 40 0 EEABRN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cs1 ZINC000006680962 462697059 /nfs/dbraw/zinc/69/70/59/462697059.db2.gz PHSIARDZWBEAJB-NSHDSACASA-N 0 0 330.475 2.307 40 0 EEABRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000006948593 462713889 /nfs/dbraw/zinc/71/38/89/462713889.db2.gz CNWHCZWZNYPJIZ-LCYFTJDESA-N 0 0 334.397 2.297 40 0 EEABRN CCN1C(=O)S[C@@H](Cc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000006952368 462714284 /nfs/dbraw/zinc/71/42/84/462714284.db2.gz JZIXAXZLFDGDHN-LBPRGKRZSA-N 0 0 325.386 2.339 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000065011098 462732784 /nfs/dbraw/zinc/73/27/84/462732784.db2.gz SWJFXOAIEJWEJU-GHMZBOCLSA-N 0 0 330.354 2.252 40 0 EEABRN COCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000008476867 462785219 /nfs/dbraw/zinc/78/52/19/462785219.db2.gz MIEPEWQHQJSEGX-UHFFFAOYSA-N 0 0 340.358 2.450 40 0 EEABRN Cc1ncc(-c2ccncc2)c(CCNC(=O)c2cscn2)n1 ZINC000013228104 462888402 /nfs/dbraw/zinc/88/84/02/462888402.db2.gz JEVOGFABROJVIE-UHFFFAOYSA-N 0 0 325.397 2.276 40 0 EEABRN CCC[C@@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC ZINC000013582968 462897082 /nfs/dbraw/zinc/89/70/82/462897082.db2.gz ONLWIWSBXATVSE-LLVKDONJSA-N 0 0 328.434 2.009 40 0 EEABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)s1 ZINC000014406081 462927763 /nfs/dbraw/zinc/92/77/63/462927763.db2.gz HVQVPIHQNOSFJN-UHFFFAOYSA-N 0 0 327.369 2.284 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076988925 462932476 /nfs/dbraw/zinc/93/24/76/462932476.db2.gz YWSCAOYVKHWNFC-BBRMVZONSA-N 0 0 338.473 2.082 40 0 EEABRN CCCCNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016638817 462985857 /nfs/dbraw/zinc/98/58/57/462985857.db2.gz CCVLVIDOXLXMLS-UHFFFAOYSA-N 0 0 326.462 2.149 40 0 EEABRN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016959527 462992821 /nfs/dbraw/zinc/99/28/21/462992821.db2.gz GPULZYKBPROPRT-NSHDSACASA-N 0 0 336.335 2.068 40 0 EEABRN CC(C)[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017055036 462993854 /nfs/dbraw/zinc/99/38/54/462993854.db2.gz ODWOCOIVEJNIBB-NSHDSACASA-N 0 0 332.853 2.121 40 0 EEABRN CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000077735328 463034075 /nfs/dbraw/zinc/03/40/75/463034075.db2.gz DLYDUETYYDHTJN-QWRGUYRKSA-N 0 0 329.404 2.269 40 0 EEABRN Cc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)[nH]n1 ZINC000067936376 463069569 /nfs/dbraw/zinc/06/95/69/463069569.db2.gz ZIEYRWZYQRSZDE-VIFPVBQESA-N 0 0 344.198 2.195 40 0 EEABRN COc1ccccc1N1CCN(C(=O)c2ccc([N-][N+]#N)nc2)CC1 ZINC000095479211 463093153 /nfs/dbraw/zinc/09/31/53/463093153.db2.gz IISKWAHHPKCWCP-UHFFFAOYSA-O 0 0 339.379 2.233 40 0 EEABRN COc1ncc(Cl)c(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000134901931 463094880 /nfs/dbraw/zinc/09/48/80/463094880.db2.gz QWFYDUYSMSUQMM-GFCCVEGCSA-N 0 0 336.779 2.017 40 0 EEABRN CCc1ccc(C(=O)Nc2ccc3n[nH]nc3c2)cc1S(C)(=O)=O ZINC000157507036 463137575 /nfs/dbraw/zinc/13/75/75/463137575.db2.gz PVQFWKRSKFEGTF-UHFFFAOYSA-N 0 0 344.396 2.176 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096041714 463146075 /nfs/dbraw/zinc/14/60/75/463146075.db2.gz SQCHPZNHAHTBMU-ZMSDIMECSA-N 0 0 331.441 2.487 40 0 EEABRN Cc1cc(C(=O)NC[C@@H]2OCCc3cn(CC4CC4)nc32)c(C)[nH]1 ZINC000096044395 463148630 /nfs/dbraw/zinc/14/86/30/463148630.db2.gz PTKATZXLQVFVBN-INIZCTEOSA-N 0 0 328.416 2.282 40 0 EEABRN COC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(CC3CC3)c21 ZINC000096045612 463150813 /nfs/dbraw/zinc/15/08/13/463150813.db2.gz WWJZDHXUTWIBND-HIFRSBDPSA-N 0 0 330.432 2.117 40 0 EEABRN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3nccs3)C2)CC1=O ZINC000096050944 463154540 /nfs/dbraw/zinc/15/45/40/463154540.db2.gz DRQZXHKNQBAPME-KRWDZBQOSA-N 0 0 346.456 2.373 40 0 EEABRN CN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096069597 463165888 /nfs/dbraw/zinc/16/58/88/463165888.db2.gz XONWPYHGWKCYBN-OAHLLOKOSA-N 0 0 338.411 2.030 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@@]2(C1)COCCN(c1ccccc1)C2 ZINC000096076751 463168623 /nfs/dbraw/zinc/16/86/23/463168623.db2.gz WNPCJGGDQHDNQB-LJQANCHMSA-N 0 0 340.427 2.169 40 0 EEABRN COC[C@@H]1COCCC12CCN(C(=O)C1CCSCC1)CC2 ZINC000096106348 463174058 /nfs/dbraw/zinc/17/40/58/463174058.db2.gz YIFUXOWDNJVAGF-OAHLLOKOSA-N 0 0 327.490 2.421 40 0 EEABRN COCCC(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106496 463175313 /nfs/dbraw/zinc/17/53/13/463175313.db2.gz VJYJLWVTUPABJQ-MRXNPFEDSA-N 0 0 325.449 2.095 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107324 463175536 /nfs/dbraw/zinc/17/55/36/463175536.db2.gz JUQCHIKBSPPVDG-AEFFLSMTSA-N 0 0 343.383 2.050 40 0 EEABRN CC[C@H](C(=O)NCc1nccc(N2CCOCC2)n1)c1ccccc1 ZINC000096120886 463182316 /nfs/dbraw/zinc/18/23/16/463182316.db2.gz XZOGBLUAXFBYMR-INIZCTEOSA-N 0 0 340.427 2.123 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000079042352 463182752 /nfs/dbraw/zinc/18/27/52/463182752.db2.gz RPZKLBQRFCSSMJ-VXGBXAGGSA-N 0 0 347.864 2.389 40 0 EEABRN CC(C)n1cnc2c1C[C@H](C(=O)N1CCCC1)C(=O)N2CC1CC1 ZINC000096147083 463186385 /nfs/dbraw/zinc/18/63/85/463186385.db2.gz REZJLNJWXIUFDK-CQSZACIVSA-N 0 0 330.432 2.002 40 0 EEABRN Cc1nc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)cs1 ZINC000096159021 463190191 /nfs/dbraw/zinc/19/01/91/463190191.db2.gz GVDXITPKSWRCES-UHFFFAOYSA-N 0 0 345.472 2.113 40 0 EEABRN COc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)nnn1Cc1ccccc1 ZINC000096183469 463195249 /nfs/dbraw/zinc/19/52/49/463195249.db2.gz IJBRNKOAPDONSW-KBPBESRZSA-N 0 0 328.416 2.453 40 0 EEABRN Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccoc2)cs1 ZINC000096184034 463195319 /nfs/dbraw/zinc/19/53/19/463195319.db2.gz GNZSWLSDTLCLDX-KGLIPLIRSA-N 0 0 331.397 2.060 40 0 EEABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccs2)O1 ZINC000096186643 463198759 /nfs/dbraw/zinc/19/87/59/463198759.db2.gz LKYLTHVPSDABAR-AGIUHOORSA-N 0 0 331.459 2.095 40 0 EEABRN C[C@@]1(C(=O)Nc2cccc(C(N)=O)c2)CC(c2cccc(F)c2)=NO1 ZINC000096192951 463202084 /nfs/dbraw/zinc/20/20/84/463202084.db2.gz KUOHNQUQSUJYNY-SFHVURJKSA-N 0 0 341.342 2.446 40 0 EEABRN Cn1cccc1C(=O)N1CCN(Cc2ccncc2)c2ncccc2C1 ZINC000096198973 463204745 /nfs/dbraw/zinc/20/47/45/463204745.db2.gz PFQULHLKPJEKGL-UHFFFAOYSA-N 0 0 347.422 2.478 40 0 EEABRN Cc1ccc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)s1 ZINC000096201171 463205556 /nfs/dbraw/zinc/20/55/56/463205556.db2.gz ABYYLJXVNQYTLA-UHFFFAOYSA-N 0 0 330.457 2.295 40 0 EEABRN Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096202272 463207550 /nfs/dbraw/zinc/20/75/50/463207550.db2.gz BFNMLAXDCUVTTM-LJQANCHMSA-N 0 0 341.411 2.352 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1cnn(C)c1 ZINC000027919484 463209374 /nfs/dbraw/zinc/20/93/74/463209374.db2.gz OVWZTEODJNSGKJ-VIFPVBQESA-N 0 0 344.234 2.222 40 0 EEABRN Cc1cc(CN2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)no1 ZINC000096217166 463215387 /nfs/dbraw/zinc/21/53/87/463215387.db2.gz DCDQMWFZTHZOQF-SJLPKXTDSA-N 0 0 343.431 2.399 40 0 EEABRN Cc1nnc(N2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)s1 ZINC000096219208 463216269 /nfs/dbraw/zinc/21/62/69/463216269.db2.gz RTYBOWMTVWINDL-CZUORRHYSA-N 0 0 331.445 2.482 40 0 EEABRN O=C(CC1CC1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096228174 463222513 /nfs/dbraw/zinc/22/25/13/463222513.db2.gz XEDFAOHZSUYHPW-UHFFFAOYSA-N 0 0 327.428 2.365 40 0 EEABRN Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238713 463222999 /nfs/dbraw/zinc/22/29/99/463222999.db2.gz DERGBQCMFYAGJU-SFHVURJKSA-N 0 0 328.391 2.188 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)COCCN(c1cccnc1)C2 ZINC000096239980 463224847 /nfs/dbraw/zinc/22/48/47/463224847.db2.gz HHWWJVJOBAPAHH-UHFFFAOYSA-N 0 0 341.411 2.434 40 0 EEABRN O=C([O-])C[NH+]1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC000096244756 463225993 /nfs/dbraw/zinc/22/59/93/463225993.db2.gz NPZIDXBOXHXYCT-QGZVFWFLSA-N 0 0 328.412 2.147 40 0 EEABRN c1ccc(CN2CCCn3nnc(COc4ccccn4)c3C2)nc1 ZINC000096258996 463230192 /nfs/dbraw/zinc/23/01/92/463230192.db2.gz XHCPIPIMANTXBD-UHFFFAOYSA-N 0 0 336.399 2.053 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N[C@@H]1c2ccccc2C[C@@H]1C ZINC000096408680 463241170 /nfs/dbraw/zinc/24/11/70/463241170.db2.gz RNKVSEUHGOLACA-ZBEGNZNMSA-N 0 0 337.383 2.345 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)CCc3cnn(C)c3)C2)c1 ZINC000096409260 463242299 /nfs/dbraw/zinc/24/22/99/463242299.db2.gz MQHIATBMNXKGQK-MRXNPFEDSA-N 0 0 342.443 2.147 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000096410693 463244030 /nfs/dbraw/zinc/24/40/30/463244030.db2.gz QHXPDGGSTXNEJU-QGZVFWFLSA-N 0 0 344.463 2.301 40 0 EEABRN COC[C@@H](NC(=O)Cn1cccn1)c1cccc(C(F)(F)F)c1 ZINC000096411034 463244272 /nfs/dbraw/zinc/24/42/72/463244272.db2.gz DJRHVHXCSPASEF-CYBMUJFWSA-N 0 0 327.306 2.406 40 0 EEABRN Cc1nc(CNC(=O)c2cc(N3CCNC3=O)ccc2F)cs1 ZINC000096414303 463247250 /nfs/dbraw/zinc/24/72/50/463247250.db2.gz FOJWHXYDDYSLKH-UHFFFAOYSA-N 0 0 334.376 2.050 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415208 463248256 /nfs/dbraw/zinc/24/82/56/463248256.db2.gz NPOCXXAQKXTJAK-VHSXEESVSA-N 0 0 349.378 2.142 40 0 EEABRN O=C(N[C@@H]1COc2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096420510 463251944 /nfs/dbraw/zinc/25/19/44/463251944.db2.gz KYEQXUYJPOPEEE-IEBWSBKVSA-N 0 0 338.407 2.137 40 0 EEABRN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000096424156 463255113 /nfs/dbraw/zinc/25/51/13/463255113.db2.gz APYOBTXCNZGZHP-UONOGXRCSA-N 0 0 334.464 2.300 40 0 EEABRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1nccn1C ZINC000096426404 463255575 /nfs/dbraw/zinc/25/55/75/463255575.db2.gz UKRBPRZGLIERMU-SNVBAGLBSA-N 0 0 338.205 2.266 40 0 EEABRN COC(=O)N1CC[C@@H](NC(=O)c2cccc(Br)c2)C1 ZINC000096426646 463256200 /nfs/dbraw/zinc/25/62/00/463256200.db2.gz VKWQUUNGHIVYPK-LLVKDONJSA-N 0 0 327.178 2.020 40 0 EEABRN Cc1cc(=O)c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000096427113 463257107 /nfs/dbraw/zinc/25/71/07/463257107.db2.gz ZZXITNNEEYEAOQ-UHFFFAOYSA-N 0 0 343.402 2.171 40 0 EEABRN Cc1noc(-c2cccnc2N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000096427326 463257221 /nfs/dbraw/zinc/25/72/21/463257221.db2.gz XZVMZKYTNBBZQH-CQSZACIVSA-N 0 0 341.415 2.183 40 0 EEABRN O=S(=O)(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@@H]1CCOC1 ZINC000096428238 463258224 /nfs/dbraw/zinc/25/82/24/463258224.db2.gz OFJJGLZAJQHEMA-CHWSQXEVSA-N 0 0 344.864 2.017 40 0 EEABRN Cc1ccc(O[C@@H](C)CNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 ZINC000096431396 463261495 /nfs/dbraw/zinc/26/14/95/463261495.db2.gz QOXYMRWKPDTGIL-KBPBESRZSA-N 0 0 330.384 2.290 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000096434021 463261825 /nfs/dbraw/zinc/26/18/25/463261825.db2.gz SCRRUDGOPJDSSW-LLVKDONJSA-N 0 0 330.436 2.251 40 0 EEABRN Cc1ccc([C@@](C)(O)CNC(=O)NC[C@@H]2Cc3ccccc3O2)o1 ZINC000096437780 463266113 /nfs/dbraw/zinc/26/61/13/463266113.db2.gz JYTYBOPVXMBOCH-KSSFIOAISA-N 0 0 330.384 2.098 40 0 EEABRN CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000096437531 463266174 /nfs/dbraw/zinc/26/61/74/463266174.db2.gz KZGZYUROMDDDKA-JKSUJKDBSA-N 0 0 345.472 2.410 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@H](C)OC[C@@H]2c2ccccc2)n(C)n1 ZINC000096441769 463266620 /nfs/dbraw/zinc/26/66/20/463266620.db2.gz HOSBSWGVURECIY-GOEBONIOSA-N 0 0 328.416 2.129 40 0 EEABRN CC(C)Oc1ccc2ccccc2c1CN1CCO[C@@H](C(N)=O)C1 ZINC000096443302 463268149 /nfs/dbraw/zinc/26/81/49/463268149.db2.gz DNJZJRHYVNXIID-GOSISDBHSA-N 0 0 328.412 2.313 40 0 EEABRN CCOc1c(F)cccc1C(=O)Nc1cccnc1-n1cncn1 ZINC000096443113 463268502 /nfs/dbraw/zinc/26/85/02/463268502.db2.gz PCIITJQSMSOHHX-UHFFFAOYSA-N 0 0 327.319 2.452 40 0 EEABRN C[C@H](CNC(=O)[C@@H]1CCOC1)Oc1ccccc1Br ZINC000096451779 463273135 /nfs/dbraw/zinc/27/31/35/463273135.db2.gz GJWNIQKTNHXOIR-GHMZBOCLSA-N 0 0 328.206 2.369 40 0 EEABRN CSCc1cc(F)ccc1CNC(=O)CNC(=O)C(C)(C)C ZINC000096461624 463276197 /nfs/dbraw/zinc/27/61/97/463276197.db2.gz HUDRHDSZSQFXPW-UHFFFAOYSA-N 0 0 326.437 2.467 40 0 EEABRN Fc1ccc2nc(CSc3nnnn3C[C@@H]3CCCO3)oc2c1 ZINC000096465908 463277908 /nfs/dbraw/zinc/27/79/08/463277908.db2.gz XXXQTTINMDBTSL-JTQLQIEISA-N 0 0 335.364 2.425 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2c(F)cccc2Br)no1 ZINC000096470303 463278599 /nfs/dbraw/zinc/27/85/99/463278599.db2.gz FEYQNIUVJVZXCH-UHFFFAOYSA-N 0 0 349.181 2.363 40 0 EEABRN O=C(c1ccnn1C1CCCC1)N1CCCN(c2ncccn2)CC1 ZINC000096476747 463280374 /nfs/dbraw/zinc/28/03/74/463280374.db2.gz GWRTXKXJSORTFH-UHFFFAOYSA-N 0 0 340.431 2.141 40 0 EEABRN COc1cccc(C[C@H](NC(=O)N2CCC[C@@H](CO)C2)C2CC2)c1 ZINC000096485178 463283979 /nfs/dbraw/zinc/28/39/79/463283979.db2.gz SFHWCNJCBABXJZ-QAPCUYQASA-N 0 0 332.444 2.430 40 0 EEABRN Cc1noc(C)c1CCCNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000096491913 463286203 /nfs/dbraw/zinc/28/62/03/463286203.db2.gz VEHSXQXANBNEKA-UHFFFAOYSA-N 0 0 349.353 2.323 40 0 EEABRN O=C(c1cnsn1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096490115 463286586 /nfs/dbraw/zinc/28/65/86/463286586.db2.gz DNLZQQSTGHPVLS-UHFFFAOYSA-N 0 0 339.424 2.176 40 0 EEABRN O=S(=O)(c1ccccn1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096492601 463288137 /nfs/dbraw/zinc/28/81/37/463288137.db2.gz MWKKOKUAQHZUDR-HNNXBMFYSA-N 0 0 336.388 2.107 40 0 EEABRN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000096501313 463291077 /nfs/dbraw/zinc/29/10/77/463291077.db2.gz DREYVDDVTWCADZ-KGLIPLIRSA-N 0 0 328.416 2.406 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(OC)cc1 ZINC000096521443 463293610 /nfs/dbraw/zinc/29/36/10/463293610.db2.gz KWEHXMKISHWCMS-RYUDHWBXSA-N 0 0 337.235 2.274 40 0 EEABRN CC[C@@](Br)([C@H](O)c1ccccc1F)S(C)(=O)=O ZINC000096521534 463293815 /nfs/dbraw/zinc/29/38/15/463293815.db2.gz YWRCFEAOWPJHQX-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccc(F)cc1 ZINC000096521388 463294195 /nfs/dbraw/zinc/29/41/95/463294195.db2.gz IWVXLMBJQJPGNM-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096783016 463299139 /nfs/dbraw/zinc/29/91/39/463299139.db2.gz RAEDLXAFCFCRFX-JKSUJKDBSA-N 0 0 332.400 2.083 40 0 EEABRN C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000097099107 463324088 /nfs/dbraw/zinc/32/40/88/463324088.db2.gz NSJYNFXJFYQTFU-MYODQAERSA-N 0 0 332.429 2.374 40 0 EEABRN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000097104772 463325267 /nfs/dbraw/zinc/32/52/67/463325267.db2.gz HFAVDNNXOQZUSA-QGZVFWFLSA-N 0 0 338.473 2.219 40 0 EEABRN CC(=O)NC[C@H](C)OC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000097231558 463351677 /nfs/dbraw/zinc/35/16/77/463351677.db2.gz SXYQAZPBMRXRPH-AWEZNQCLSA-N 0 0 329.400 2.479 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372996 463354977 /nfs/dbraw/zinc/35/49/77/463354977.db2.gz RKWHIWUDZWMJOQ-CJNGLKHVSA-N 0 0 335.448 2.230 40 0 EEABRN CCn1cc(C(=O)NCC(C)(C)CO)c(=O)c2cc(Cl)ccc21 ZINC000097376071 463356562 /nfs/dbraw/zinc/35/65/62/463356562.db2.gz YZLDNQRRKWUBFT-UHFFFAOYSA-N 0 0 336.819 2.423 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)nn1C ZINC000071195780 463411335 /nfs/dbraw/zinc/41/13/35/463411335.db2.gz NACJUUHZEPHXSS-INIZCTEOSA-N 0 0 348.410 2.388 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C1 ZINC000071553420 463417568 /nfs/dbraw/zinc/41/75/68/463417568.db2.gz JOYNBELPJFEDIL-TUAOUCFPSA-N 0 0 338.429 2.073 40 0 EEABRN CCn1ncc(CNC(=O)[C@@]2(C)Sc3ccccc3NC2=O)c1C ZINC000041644977 463501373 /nfs/dbraw/zinc/50/13/73/463501373.db2.gz GWTVLTVWALKMTM-QGZVFWFLSA-N 0 0 344.440 2.331 40 0 EEABRN O=C(NC1CC1)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339005 463509767 /nfs/dbraw/zinc/50/97/67/463509767.db2.gz OHBLMBMJYSAOJP-JFVXACQESA-N 0 0 326.396 2.220 40 0 EEABRN CCS(=O)(=O)N1CC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000072383737 463509796 /nfs/dbraw/zinc/50/97/96/463509796.db2.gz AWXSQRYQFWIIGR-AWEZNQCLSA-N 0 0 347.444 2.329 40 0 EEABRN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000057952618 463532489 /nfs/dbraw/zinc/53/24/89/463532489.db2.gz MPFNXQCUJHCJIM-INIZCTEOSA-N 0 0 347.415 2.327 40 0 EEABRN CCc1cnc(N2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000107226195 463563074 /nfs/dbraw/zinc/56/30/74/463563074.db2.gz WBANSYWKJZPWQV-KDOFPFPSSA-N 0 0 343.406 2.423 40 0 EEABRN Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108533052 463609660 /nfs/dbraw/zinc/60/96/60/463609660.db2.gz IDZFLUCOZYJSLO-PXNSSMCTSA-N 0 0 343.471 2.241 40 0 EEABRN CCn1c(=O)[nH]c2cc(C(=O)Nc3cc(F)cc(F)c3)ccc2c1=O ZINC000059332195 463642133 /nfs/dbraw/zinc/64/21/33/463642133.db2.gz FJGRHKJWXQKIHX-UHFFFAOYSA-N 0 0 345.305 2.240 40 0 EEABRN COCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000044891383 463698509 /nfs/dbraw/zinc/69/85/09/463698509.db2.gz XNVDMHJAYKQASD-UHFFFAOYSA-N 0 0 325.368 2.290 40 0 EEABRN CCOc1ccc(CN(C)c2nn3c(nc(C)cc3=O)s2)cc1 ZINC000044897096 463700300 /nfs/dbraw/zinc/70/03/00/463700300.db2.gz MITVOBNPSMUBGD-UHFFFAOYSA-N 0 0 330.413 2.495 40 0 EEABRN Cc1cccc([C@H](O)CN(Cc2nnn(C)n2)Cc2ccccc2)c1 ZINC000193447110 463715107 /nfs/dbraw/zinc/71/51/07/463715107.db2.gz MUFKUQUKYSLIKN-GOSISDBHSA-N 0 0 337.427 2.254 40 0 EEABRN Cc1noc([C@@H]2COCCN2Cc2nc(-c3ccccc3)no2)n1 ZINC000185082212 463750054 /nfs/dbraw/zinc/75/00/54/463750054.db2.gz FSZLXXSITCTOPW-ZDUSSCGKSA-N 0 0 327.344 2.002 40 0 EEABRN Cc1c(CCC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)cnn1C ZINC000257278445 463757328 /nfs/dbraw/zinc/75/73/28/463757328.db2.gz OCHVSJHOVMIJNJ-KRWDZBQOSA-N 0 0 341.459 2.486 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(Cc3c(C)nc4sccn34)CCO2)n1 ZINC000257281004 463759909 /nfs/dbraw/zinc/75/99/09/463759909.db2.gz ONHBYIDJFJDMKR-AWEZNQCLSA-N 0 0 331.445 2.320 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@H]2c2cc(N(C)C)nc(C)n2)cn1 ZINC000257283196 463761859 /nfs/dbraw/zinc/76/18/59/463761859.db2.gz OXEBGGBWGWVCQI-HNNXBMFYSA-N 0 0 341.415 2.232 40 0 EEABRN O=C(Cc1ccsc1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257288787 463763190 /nfs/dbraw/zinc/76/31/90/463763190.db2.gz PVRNLCJNWNDSHQ-BFYDXBDKSA-N 0 0 332.425 2.163 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257291374 463765091 /nfs/dbraw/zinc/76/50/91/463765091.db2.gz QGRGOHDLCDCMDU-OAHLLOKOSA-N 0 0 343.412 2.040 40 0 EEABRN Cn1nccc1-c1cncc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257293224 463766394 /nfs/dbraw/zinc/76/63/94/463766394.db2.gz QOPYFIOPOQIUDC-CYBMUJFWSA-N 0 0 327.432 2.314 40 0 EEABRN CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cncnc2C)n1 ZINC000257294651 463766427 /nfs/dbraw/zinc/76/64/27/463766427.db2.gz QVBHOBIMVPYCFZ-QGZVFWFLSA-N 0 0 326.404 2.077 40 0 EEABRN C[C@]1(c2ncc(CNS(=O)(=O)c3ccccc3)cn2)CCCCO1 ZINC000257292865 463766482 /nfs/dbraw/zinc/76/64/82/463766482.db2.gz QNGHWUKRGUAVJH-QGZVFWFLSA-N 0 0 347.440 2.371 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)on1 ZINC000257302448 463768965 /nfs/dbraw/zinc/76/89/65/463768965.db2.gz SCZGERUTLPEVAD-LBPRGKRZSA-N 0 0 330.388 2.389 40 0 EEABRN CO[C@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C[C@@]12CCCO2 ZINC000257299873 463769086 /nfs/dbraw/zinc/76/90/86/463769086.db2.gz RSAJZAVHOYXDLD-HKUYNNGSSA-N 0 0 343.427 2.141 40 0 EEABRN Cc1nc(CC(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cs1 ZINC000257311769 463773083 /nfs/dbraw/zinc/77/30/83/463773083.db2.gz UKXMJNSCGMHJCP-JFIYKMOQSA-N 0 0 346.452 2.423 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CCN1C ZINC000257318533 463776048 /nfs/dbraw/zinc/77/60/48/463776048.db2.gz VOHSCYYJLBKWIE-HNNXBMFYSA-N 0 0 348.834 2.060 40 0 EEABRN Cc1cccc(N2CCC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC000257332153 463781029 /nfs/dbraw/zinc/78/10/29/463781029.db2.gz XVYIWACJWHIHCN-AWEZNQCLSA-N 0 0 326.400 2.198 40 0 EEABRN CCn1nc(C(=O)N2CCC[C@@H]2c2cncc(CN(C)C)n2)cc1C ZINC000257330675 463781060 /nfs/dbraw/zinc/78/10/60/463781060.db2.gz XPKXQINYFZLSPW-QGZVFWFLSA-N 0 0 342.447 2.040 40 0 EEABRN CC(=O)N1CCN(C(=O)CCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257332895 463781627 /nfs/dbraw/zinc/78/16/27/463781627.db2.gz XZFZTBAZVRBYCD-LJQANCHMSA-N 0 0 337.423 2.446 40 0 EEABRN CCc1cc(C(=O)N2CCN(C)[C@H](c3ccc(OC)cc3)C2)no1 ZINC000257336137 463782420 /nfs/dbraw/zinc/78/24/20/463782420.db2.gz YNJBFBCSPRMOQZ-KRWDZBQOSA-N 0 0 329.400 2.375 40 0 EEABRN COc1cccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260897686 463793276 /nfs/dbraw/zinc/79/32/76/463793276.db2.gz JZYIVJBTPMXLFT-OLZOCXBDSA-N 0 0 342.461 2.010 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CCCO1 ZINC000171305282 463842909 /nfs/dbraw/zinc/84/29/09/463842909.db2.gz XQUFDDPUEGSJHA-NVXWUHKLSA-N 0 0 345.443 2.171 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1nnnn1C1CC1 ZINC000195083840 463987322 /nfs/dbraw/zinc/98/73/22/463987322.db2.gz DEIXJMHZMCMKLW-QCZZGDTMSA-N 0 0 330.367 2.063 40 0 EEABRN CC1(C)[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1OCc1ccccc1 ZINC000186541873 464020443 /nfs/dbraw/zinc/02/04/43/464020443.db2.gz WUTJZUVNRPFTGU-HOTGVXAUSA-N 0 0 341.411 2.227 40 0 EEABRN C[C@@H](C1CC1)N(C(=O)NCc1ccnc(N2CCOCC2)c1)C1CC1 ZINC000195531967 464072887 /nfs/dbraw/zinc/07/28/87/464072887.db2.gz QIEZIDGALPQIIR-AWEZNQCLSA-N 0 0 344.459 2.391 40 0 EEABRN COCCc1noc(CN(C)C(=O)c2cc3ccccc3cc2N)n1 ZINC000195542439 464073702 /nfs/dbraw/zinc/07/37/02/464073702.db2.gz GLOVMPPAHQWPTC-UHFFFAOYSA-N 0 0 340.383 2.266 40 0 EEABRN CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000195545450 464074587 /nfs/dbraw/zinc/07/45/87/464074587.db2.gz ULAHCMOCNLTYAH-NIUAMNACSA-N 0 0 346.537 2.409 40 0 EEABRN C[C@H](CC(F)(F)F)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000195551689 464076216 /nfs/dbraw/zinc/07/62/16/464076216.db2.gz NVAGKHQDGJOAEE-UTUOFQBUSA-N 0 0 348.369 2.272 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)N1CCc3ccccc31)oc(=O)n2C ZINC000223340268 464140320 /nfs/dbraw/zinc/14/03/20/464140320.db2.gz JHCVCUSKVHAKBD-UHFFFAOYSA-N 0 0 344.392 2.191 40 0 EEABRN COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 ZINC000223336490 464141256 /nfs/dbraw/zinc/14/12/56/464141256.db2.gz OEMMVMMHAIXPKC-UHFFFAOYSA-N 0 0 348.380 2.249 40 0 EEABRN C[C@@H](CNC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000223613817 464145576 /nfs/dbraw/zinc/14/55/76/464145576.db2.gz DQDJVQQXIFUSBO-HNNXBMFYSA-N 0 0 346.452 2.373 40 0 EEABRN CCOC(=O)c1ccc(SC[C@H]2CCCS(=O)(=O)C2)nc1 ZINC000225441450 464159562 /nfs/dbraw/zinc/15/95/62/464159562.db2.gz NMETUYZDFVNLGO-LLVKDONJSA-N 0 0 329.443 2.175 40 0 EEABRN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)c1ccno1)C2 ZINC000225488947 464165463 /nfs/dbraw/zinc/16/54/63/464165463.db2.gz KWNWUYWKMYKPRX-ZDUSSCGKSA-N 0 0 327.340 2.354 40 0 biogenic,in-vitro EEABRN Cc1cc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)c(C)o1 ZINC000225503961 464166325 /nfs/dbraw/zinc/16/63/25/464166325.db2.gz LCBCJMMSTGGOTA-CQSZACIVSA-N 0 0 344.415 2.436 40 0 EEABRN CCc1ccc([C@H](NC(=O)C(=O)Nc2ccn(C)n2)C(C)(C)C)o1 ZINC000225494420 464166476 /nfs/dbraw/zinc/16/64/76/464166476.db2.gz JMDAVXRVWJHNMD-AWEZNQCLSA-N 0 0 332.404 2.418 40 0 EEABRN Cc1cc(C(=O)NCCN2Cc3cc(F)ccc3OCC2=O)c(C)o1 ZINC000238840015 464439431 /nfs/dbraw/zinc/43/94/31/464439431.db2.gz HQHXZHYWYKSHLN-UHFFFAOYSA-N 0 0 346.358 2.187 40 0 EEABRN CCCOc1ccc(CNC(=O)c2c(C)c(C)nn(C)c2=O)c(C)c1 ZINC000189439918 464504890 /nfs/dbraw/zinc/50/48/90/464504890.db2.gz HSEOZDOWGIYHHE-UHFFFAOYSA-N 0 0 343.427 2.424 40 0 EEABRN Cc1cc(C)c(N2CC[C@H](NC(=O)C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000189914698 464562302 /nfs/dbraw/zinc/56/23/02/464562302.db2.gz ITDZDXSMJHRODA-CVEARBPZSA-N 0 0 330.428 2.402 40 0 EEABRN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS1 ZINC000175603384 464583896 /nfs/dbraw/zinc/58/38/96/464583896.db2.gz RNMZICLKYTVIFR-HIFRSBDPSA-N 0 0 348.468 2.351 40 0 EEABRN CSC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000190567120 464677657 /nfs/dbraw/zinc/67/76/57/464677657.db2.gz IDVDQHWMYHXWII-UHFFFAOYSA-N 0 0 346.496 2.480 40 0 EEABRN O=C(c1ccsc1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000247870069 464710371 /nfs/dbraw/zinc/71/03/71/464710371.db2.gz QHEJQKBLCRRCNL-AWEZNQCLSA-N 0 0 330.409 2.453 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247855459 464710961 /nfs/dbraw/zinc/71/09/61/464710961.db2.gz KKABVBMIYBEWSU-INIZCTEOSA-N 0 0 348.468 2.225 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@H](CCOc1ncccn1)CCO2 ZINC000247880160 464712392 /nfs/dbraw/zinc/71/23/92/464712392.db2.gz VNKPNLKSQZBCJL-CQSZACIVSA-N 0 0 343.383 2.160 40 0 EEABRN c1cncc(CN2CC3(C2)OCC[C@H]3COCc2ccncc2)c1 ZINC000247909330 464714037 /nfs/dbraw/zinc/71/40/37/464714037.db2.gz XYLJWVNGFZAAQL-SFHVURJKSA-N 0 0 325.412 2.284 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)s1 ZINC000247993483 464720903 /nfs/dbraw/zinc/72/09/03/464720903.db2.gz BWNOYMMKBWXIIZ-OAHLLOKOSA-N 0 0 346.456 2.444 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000248000772 464721771 /nfs/dbraw/zinc/72/17/71/464721771.db2.gz FPHZIUSWKWOVEW-ZDUSSCGKSA-N 0 0 345.424 2.466 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccccc1)CN(C(=O)CC1CC1)C2 ZINC000248052401 464726904 /nfs/dbraw/zinc/72/69/04/464726904.db2.gz NSVQCGCVUYINPE-INIZCTEOSA-N 0 0 340.427 2.258 40 0 EEABRN Cc1c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cnn1C ZINC000176807529 464856483 /nfs/dbraw/zinc/85/64/83/464856483.db2.gz BSTALWPEFKXMSA-HNNXBMFYSA-N 0 0 340.427 2.011 40 0 EEABRN CC[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)N1CCO[C@H](CC)C1 ZINC000252493723 464967549 /nfs/dbraw/zinc/96/75/49/464967549.db2.gz NFLMZBXGTURPAT-BZUAXINKSA-N 0 0 334.464 2.353 40 0 EEABRN CCS(=O)(=O)N1CCC(c2nc(Cc3ccccc3C)no2)CC1 ZINC000252493435 464968065 /nfs/dbraw/zinc/96/80/65/464968065.db2.gz NBVUNRPGCZDZAU-UHFFFAOYSA-N 0 0 349.456 2.498 40 0 EEABRN C[C@H](C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccccn1 ZINC000252497812 464969870 /nfs/dbraw/zinc/96/98/70/464969870.db2.gz QRFCXRFBERTXDQ-GUYCJALGSA-N 0 0 349.394 2.404 40 0 EEABRN CCOc1ccccc1CNc1nc(C)c(S(N)(=O)=O)s1 ZINC000253392848 464997781 /nfs/dbraw/zinc/99/77/81/464997781.db2.gz ILQCDJGPJGDRAS-UHFFFAOYSA-N 0 0 327.431 2.110 40 0 EEABRN O=S(=O)(CCO)c1ccc(NCc2c(F)cccc2F)cc1 ZINC000184595302 465003855 /nfs/dbraw/zinc/00/38/55/465003855.db2.gz QXHYZLSTUDNBQW-UHFFFAOYSA-N 0 0 327.352 2.343 40 0 EEABRN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000253427686 465011680 /nfs/dbraw/zinc/01/16/80/465011680.db2.gz DFFKEEYMTNORPS-CQSZACIVSA-N 0 0 329.787 2.380 40 0 EEABRN O=C(NCc1ncccc1O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000253428643 465012424 /nfs/dbraw/zinc/01/24/24/465012424.db2.gz KCGIJKJFNSSLGE-SFHVURJKSA-N 0 0 339.395 2.157 40 0 EEABRN CN1CCC[C@@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144335 466494408 /nfs/dbraw/zinc/49/44/08/466494408.db2.gz ZCTXFINXTJXGMX-QGZVFWFLSA-N 0 0 349.438 2.469 40 0 EEABRN CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(c2ccc(F)cc2)C1 ZINC000408563929 466681027 /nfs/dbraw/zinc/68/10/27/466681027.db2.gz SGUDJTTYJYIWMW-AEFFLSMTSA-N 0 0 328.343 2.313 40 0 EEABRN CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408588082 466681879 /nfs/dbraw/zinc/68/18/79/466681879.db2.gz BZZKJCIHPOADMP-CYBMUJFWSA-N 0 0 342.461 2.059 40 0 EEABRN CCc1ccc(N(CC(=O)NC)S(=O)(=O)c2ccccc2)cc1 ZINC000409026626 466684557 /nfs/dbraw/zinc/68/45/57/466684557.db2.gz UYECOYIPCLSELX-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN CCO[C@H]1CCOC2(CN(S(=O)(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000575402859 468140615 /nfs/dbraw/zinc/14/06/15/468140615.db2.gz DKLOORODTRQKCP-HNNXBMFYSA-N 0 0 339.457 2.262 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000575404358 468141417 /nfs/dbraw/zinc/14/14/17/468141417.db2.gz RXAAHWFDFOHWIK-HTAVTVPLSA-N 0 0 340.395 2.434 40 0 EEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)[C@H]4CCOC4)C3)C2)n1 ZINC000575405063 468141641 /nfs/dbraw/zinc/14/16/41/468141641.db2.gz RFNSESZKFZJVDO-GOEBONIOSA-N 0 0 348.468 2.030 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)c1 ZINC000575406050 468142760 /nfs/dbraw/zinc/14/27/60/468142760.db2.gz WZBXXCQLIFPVEO-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COc2ccccn2)no1 ZINC000585094715 468963244 /nfs/dbraw/zinc/96/32/44/468963244.db2.gz ITCGJOSMILEXMV-HNNXBMFYSA-N 0 0 339.399 2.117 40 0 EEABRN CCOCC[C@@H]1Cn2cccc2CN(S(=O)(=O)c2cccnc2)C1 ZINC000585095050 468964164 /nfs/dbraw/zinc/96/41/64/468964164.db2.gz BMCUFMCUTWUZOY-OAHLLOKOSA-N 0 0 349.456 2.130 40 0 EEABRN Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)[C@H]1CCCO1)C2 ZINC000585101921 468970663 /nfs/dbraw/zinc/97/06/63/468970663.db2.gz LNACGJCLUWLICF-SJLPKXTDSA-N 0 0 333.432 2.037 40 0 EEABRN CN1C[C@@]2(CC1=O)COCCN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104519 468972135 /nfs/dbraw/zinc/97/21/35/468972135.db2.gz ORHGQFLEXZRRBN-MRXNPFEDSA-N 0 0 342.361 2.386 40 0 EEABRN O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1ccsc1)CC2 ZINC000585110966 468975109 /nfs/dbraw/zinc/97/51/09/468975109.db2.gz JEBJDPMPHOFIDB-UHFFFAOYSA-N 0 0 343.452 2.388 40 0 EEABRN O=C(c1csnn1)N1CCc2ncc(-c3ccccc3)n2CC1 ZINC000585111249 468975268 /nfs/dbraw/zinc/97/52/68/468975268.db2.gz LCBIXQSRLCTEBX-UHFFFAOYSA-N 0 0 325.397 2.100 40 0 EEABRN CO[C@]1(COc2ccccc2)CCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000585275415 468998639 /nfs/dbraw/zinc/99/86/39/468998639.db2.gz AKUQYESKULELAM-LJQANCHMSA-N 0 0 342.395 2.406 40 0 EEABRN CN(C)c1ncc(CN2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585275778 469000789 /nfs/dbraw/zinc/00/07/89/469000789.db2.gz HDIQQHYZYBVQKU-SJLPKXTDSA-N 0 0 344.434 2.107 40 0 EEABRN CNC(=O)CC[C@@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000585277229 469002230 /nfs/dbraw/zinc/00/22/30/469002230.db2.gz HDBIWJMSZYJLHU-INIZCTEOSA-N 0 0 328.815 2.332 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cccc3cccnc32)C1 ZINC000585277763 469003239 /nfs/dbraw/zinc/00/32/39/469003239.db2.gz LCISDNKTMLXTOM-IBGZPJMESA-N 0 0 341.411 2.122 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)[C@H]1Cc1ccccc1F ZINC000585277923 469003732 /nfs/dbraw/zinc/00/37/32/469003732.db2.gz QYXZZIWERALLIN-HOTGVXAUSA-N 0 0 345.374 2.184 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)c(=O)[nH]1 ZINC000585280020 469005898 /nfs/dbraw/zinc/00/58/98/469005898.db2.gz WHWIDXSRFYVUFS-PBHICJAKSA-N 0 0 344.386 2.300 40 0 EEABRN Cc1cc2ccccc2n1CC(=O)NC1(c2ncon2)CCOCC1 ZINC000184048888 534122479 /nfs/dbraw/zinc/12/24/79/534122479.db2.gz IRSYWKJRGLWZKW-UHFFFAOYSA-N 0 0 340.383 2.155 40 0 EEABRN Cc1cnc(CCNC(=O)NCCOc2ncccc2Cl)s1 ZINC000096473467 534548531 /nfs/dbraw/zinc/54/85/31/534548531.db2.gz ZVDICZALBYBIQX-UHFFFAOYSA-N 0 0 340.836 2.421 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000153895738 534789597 /nfs/dbraw/zinc/78/95/97/534789597.db2.gz CZUAAGZOSYMSTQ-FJIDUMEYSA-N 0 0 344.455 2.237 40 0 EEABRN O=C(Nc1ccc(CNC(=O)C2(O)CCCC2)cc1)c1cccnc1 ZINC000133178111 527168509 /nfs/dbraw/zinc/16/85/09/527168509.db2.gz IVXODTUBJADZOZ-UHFFFAOYSA-N 0 0 339.395 2.255 40 0 EEABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCC2)cc1OC ZINC000253408359 536544239 /nfs/dbraw/zinc/54/42/39/536544239.db2.gz XNUBGPNMUFNFAR-JTQLQIEISA-N 0 0 332.356 2.258 40 0 biogenic,in-vitro EEABRN CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000242821246 564120356 /nfs/dbraw/zinc/12/03/56/564120356.db2.gz FKZNIFZLKVVYLC-ZDUSSCGKSA-N 0 0 348.443 2.471 40 0 EEABRN O=C(NCc1cccnc1)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972378 1352373848 /nfs/dbraw/zinc/37/38/48/1352373848.db2.gz ZZTQTBXSTMBSJS-UHFFFAOYSA-N 0 0 326.331 2.384 40 0 EEABRN COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C)cc1)C[C@H]2O ZINC000069593796 1354148133 /nfs/dbraw/zinc/14/81/33/1354148133.db2.gz YVVOTUKACXVKMJ-GOSISDBHSA-N 0 0 347.436 2.284 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)COc2cccc(C)c2)cc1 ZINC000095117161 1357763697 /nfs/dbraw/zinc/76/36/97/1357763697.db2.gz KKHIINNEGOKERZ-MRXNPFEDSA-N 0 0 349.452 2.364 40 0 EEABRN O=C(NCc1ccc(=O)[nH]n1)c1cc(Br)cnc1C1CC1 ZINC000820948182 786527776 /nfs/dbraw/zinc/52/77/76/786527776.db2.gz OWAZSOWPUSLFII-UHFFFAOYSA-N 0 0 349.188 2.147 40 0 EEABRN O=C1CC2(CN(Cc3cnc4ccccn34)C2)ON1Cc1ccccc1 ZINC001549168448 1121136238 /nfs/dbraw/zinc/13/62/38/1121136238.db2.gz WPBPWWFXAPOAMS-UHFFFAOYSA-N 0 0 348.406 2.253 40 0 EEABRN Cc1nc([C@H]2CCN(C(=O)Nc3cc(C4CCC4)nn3C)C2)no1 ZINC001548453630 1124295979 /nfs/dbraw/zinc/29/59/79/1124295979.db2.gz JTIGTULVLLKRDA-LBPRGKRZSA-N 0 0 330.392 2.400 40 0 EEABRN CC(C)c1cc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)n[nH]1 ZINC000051034826 214074755 /nfs/dbraw/zinc/07/47/55/214074755.db2.gz BVHJORCLQIHAQB-UHFFFAOYSA-N 0 0 344.400 2.336 40 0 EEABRN O=S(=O)(c1ccc(F)cc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004703367 210252733 /nfs/dbraw/zinc/25/27/33/210252733.db2.gz CWGZRJOVTJJOJA-JJRVBVJISA-N 0 0 338.448 2.321 40 0 EEABRN Cc1cnc(C(=O)Nc2ccc(Sc3nncn3C)cc2)cn1 ZINC000054730852 214253099 /nfs/dbraw/zinc/25/30/99/214253099.db2.gz JRNAMAFMDXPSDQ-UHFFFAOYSA-N 0 0 326.385 2.317 40 0 EEABRN COCCn1c(C)c(C)nc1SCc1nnnn1-c1ccccc1 ZINC000055250922 214295622 /nfs/dbraw/zinc/29/56/22/214295622.db2.gz IQSMVYALDTVVBK-UHFFFAOYSA-N 0 0 344.444 2.414 40 0 EEABRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cn[nH]n4)CC3)c2c1 ZINC000055681649 214337652 /nfs/dbraw/zinc/33/76/52/214337652.db2.gz GYOATLCNNAXALR-UHFFFAOYSA-N 0 0 325.372 2.314 40 0 EEABRN CC[C@@H]1Oc2cc([C@@H](C)NCc3nccc(N)n3)ccc2NC1=O ZINC000180021655 529474645 /nfs/dbraw/zinc/47/46/45/529474645.db2.gz QPFLIRWWGASYRR-MFKMUULPSA-N 0 0 327.388 2.019 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(C)n2nccc2n1 ZINC000257303426 282201548 /nfs/dbraw/zinc/20/15/48/282201548.db2.gz SHFNCNBOMRKMIM-INIZCTEOSA-N 0 0 338.415 2.296 40 0 EEABRN Cc1nccn1CC1(O)CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000012143475 282203532 /nfs/dbraw/zinc/20/35/32/282203532.db2.gz TTXWBKSCLBKCPR-UHFFFAOYSA-N 0 0 339.439 2.277 40 0 EEABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccccc2)no1 ZINC000100458237 219099720 /nfs/dbraw/zinc/09/97/20/219099720.db2.gz XRVSTZBEEWMAQO-OKILXGFUSA-N 0 0 325.368 2.454 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2c(F)cccc2F)ccc1C ZINC000408607023 529932567 /nfs/dbraw/zinc/93/25/67/529932567.db2.gz PSURSLNHZCQUNK-UHFFFAOYSA-N 0 0 340.351 2.434 40 0 EEABRN CN(C(=O)c1cccnc1Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000044889012 213657836 /nfs/dbraw/zinc/65/78/36/213657836.db2.gz ZIWGNAIKVSZGNR-CYBMUJFWSA-N 0 0 346.408 2.133 40 0 EEABRN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 ZINC000003191421 209975420 /nfs/dbraw/zinc/97/54/20/209975420.db2.gz HEOBEJHCMPOTCR-AWEZNQCLSA-N 0 0 347.367 2.077 40 0 EEABRN CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000067896277 215243228 /nfs/dbraw/zinc/24/32/28/215243228.db2.gz MXOMBXGBUHAFSK-CRAIPNDOSA-N 0 0 348.443 2.342 40 0 biogenic,in-vitro EEABRN Cn1cnc(C(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC000252494950 282767483 /nfs/dbraw/zinc/76/74/83/282767483.db2.gz OIWVNGPLXVKQCJ-UHFFFAOYSA-N 0 0 336.189 2.217 40 0 EEABRN CCc1noc([C@H](C)N2CCN(c3ccc(C(C)=O)cn3)CC2)n1 ZINC000181051559 234072308 /nfs/dbraw/zinc/07/23/08/234072308.db2.gz SGEHYWDINDQPQC-LBPRGKRZSA-N 0 0 329.404 2.113 40 0 EEABRN O=C(NCc1nnc2n1CCCCC2)c1cncn1-c1ccccc1 ZINC000040475426 213311531 /nfs/dbraw/zinc/31/15/31/213311531.db2.gz JVNWHITZTHFEKU-UHFFFAOYSA-N 0 0 336.399 2.120 40 0 EEABRN Cc1oc(-c2ccccc2)nc1C(=O)NCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000040047523 213253908 /nfs/dbraw/zinc/25/39/08/213253908.db2.gz ZRXVDOYCFIHLOY-OKILXGFUSA-N 0 0 343.427 2.489 40 0 EEABRN C[C@@H]1Cc2cc(-c3cc(CC(=O)N4CCOCC4)no3)ccc2O1 ZINC000038498373 213212016 /nfs/dbraw/zinc/21/20/16/213212016.db2.gz PPCZHINJELDVCM-GFCCVEGCSA-N 0 0 328.368 2.066 40 0 EEABRN CCCOCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000097237902 283402213 /nfs/dbraw/zinc/40/22/13/283402213.db2.gz JVGPRFJWJMBKKW-AWEZNQCLSA-N 0 0 344.333 2.132 40 0 EEABRN CCOC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C2CC2)C1 ZINC000031903439 212756332 /nfs/dbraw/zinc/75/63/32/212756332.db2.gz AGRUDOMTJKXXHM-GFCCVEGCSA-N 0 0 327.384 2.078 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2c(C)nn(C)c2C)o1 ZINC000072241029 216079976 /nfs/dbraw/zinc/07/99/76/216079976.db2.gz NYJTUQONSBFDOR-CQSZACIVSA-N 0 0 330.388 2.068 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCCc2c1cnn2C ZINC000072242491 216081694 /nfs/dbraw/zinc/08/16/94/216081694.db2.gz HEZGXJYPNRUGEL-CYBMUJFWSA-N 0 0 335.429 2.093 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000072237892 216076982 /nfs/dbraw/zinc/07/69/82/216076982.db2.gz JOCMBGKHTNFDKH-ZWKOTPCHSA-N 0 0 342.370 2.040 40 0 EEABRN Cc1cc(Oc2ccccc2)nc(C2CCN(CC(N)=O)CC2)n1 ZINC000072361871 216169060 /nfs/dbraw/zinc/16/90/60/216169060.db2.gz JOEOLDNRHVBBFI-UHFFFAOYSA-N 0 0 326.400 2.242 40 0 EEABRN CCC(=O)N1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363585 216170151 /nfs/dbraw/zinc/17/01/51/216170151.db2.gz XWJOGOCKLJIAIN-ZDUSSCGKSA-N 0 0 326.404 2.435 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 ZINC000072360544 216167914 /nfs/dbraw/zinc/16/79/14/216167914.db2.gz LWECFYYRYGIUDA-OAHLLOKOSA-N 0 0 344.459 2.340 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072368767 216176498 /nfs/dbraw/zinc/17/64/98/216176498.db2.gz WJBRLQLJNAFRCD-CQSZACIVSA-N 0 0 342.424 2.211 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@H]2CC[N@H+](CCC(=O)[O-])C2)n1 ZINC000072384688 216185218 /nfs/dbraw/zinc/18/52/18/216185218.db2.gz UXICRSHULBNACW-ZDUSSCGKSA-N 0 0 327.388 2.188 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C(F)(F)F)nn2C)n1 ZINC000072390329 216191681 /nfs/dbraw/zinc/19/16/81/216191681.db2.gz GMIDCDKGFSGTDX-VIFPVBQESA-N 0 0 329.326 2.071 40 0 EEABRN CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCOCC2)C1 ZINC000072395278 216192690 /nfs/dbraw/zinc/19/26/90/216192690.db2.gz URTKZRPLZCOFNE-HNNXBMFYSA-N 0 0 342.443 2.121 40 0 EEABRN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc2c(c1)OCO2 ZINC000000062287 209395881 /nfs/dbraw/zinc/39/58/81/209395881.db2.gz QACOTSOPWUJKGH-LFYBBSHMSA-N 0 0 337.287 2.489 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCCCCc1ccccc1 ZINC000408707631 238296315 /nfs/dbraw/zinc/29/63/15/238296315.db2.gz POYKWFXIKAVXPP-UHFFFAOYSA-N 0 0 340.423 2.451 40 0 EEABRN O=C(NCCCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000408708771 238297190 /nfs/dbraw/zinc/29/71/90/238297190.db2.gz MJADRXIFOZVKIE-UHFFFAOYSA-N 0 0 340.379 2.493 40 0 EEABRN COc1ccc(Cl)cc1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000072675365 216291365 /nfs/dbraw/zinc/29/13/65/216291365.db2.gz QLFCMJJFTDURLR-GFCCVEGCSA-N 0 0 347.802 2.200 40 0 EEABRN CC(C)c1cc(N(C)Cc2csc(CS(C)(=O)=O)n2)n[nH]1 ZINC000072686742 216293526 /nfs/dbraw/zinc/29/35/26/216293526.db2.gz UYQDQZBEGFCORD-UHFFFAOYSA-N 0 0 328.463 2.171 40 0 EEABRN Fc1ccc(-c2nnc(CN3CCN(Cc4ccon4)CC3)o2)cc1 ZINC000072723059 216300091 /nfs/dbraw/zinc/30/00/91/216300091.db2.gz WNPATMNRHIBWTH-UHFFFAOYSA-N 0 0 343.362 2.182 40 0 EEABRN C[C@H](CC(=O)N1CCCC[C@@H]1CNC(N)=O)Cc1cccc(F)c1 ZINC000073260845 216370822 /nfs/dbraw/zinc/37/08/22/216370822.db2.gz DNKBZCXPDMQKQY-XJKSGUPXSA-N 0 0 335.423 2.444 40 0 EEABRN CS(=O)(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000074118186 216455466 /nfs/dbraw/zinc/45/54/66/216455466.db2.gz NAILHLVJHXWOCE-UHFFFAOYSA-N 0 0 325.365 2.015 40 0 EEABRN O=C1COC[C@H](c2nc(-c3ccncc3)no2)N1Cc1ccccc1 ZINC000193200222 240055609 /nfs/dbraw/zinc/05/56/09/240055609.db2.gz JLIXLXOUAZYOJL-OAHLLOKOSA-N 0 0 336.351 2.232 40 0 EEABRN COc1ccc(CNC(=O)c2cnc3ccccc3c2O)cc1OC ZINC000022234080 212283704 /nfs/dbraw/zinc/28/37/04/212283704.db2.gz QVESSNYBBQEGIU-UHFFFAOYSA-N 0 0 338.363 2.475 40 0 EEABRN O=C(NCCCn1cnnc1[C@@H](O)c1ccccc1)C1CCCC1 ZINC000195176052 240860119 /nfs/dbraw/zinc/86/01/19/240860119.db2.gz ZZMLMFQRMXJXLP-INIZCTEOSA-N 0 0 328.416 2.056 40 0 EEABRN C[C@H](C(=O)NC1CC1)N1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578531 241024772 /nfs/dbraw/zinc/02/47/72/241024772.db2.gz ZEMHSSLLOUBLLF-CYBMUJFWSA-N 0 0 342.418 2.163 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NCc3ccccc3)cc2sc1=O ZINC000075433469 216618369 /nfs/dbraw/zinc/61/83/69/216618369.db2.gz YHVYEGXUYRNKDR-UHFFFAOYSA-N 0 0 334.422 2.079 40 0 EEABRN COC[C@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218606953 241333842 /nfs/dbraw/zinc/33/38/42/241333842.db2.gz QMDVDWUIDPCAPX-BZSNNMDCSA-N 0 0 349.427 2.418 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218604334 241334680 /nfs/dbraw/zinc/33/46/80/241334680.db2.gz BGVRUTQGUXDWCA-IPYPFGDCSA-N 0 0 345.461 2.035 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)N[C@@H]1CCCC12CCOCC2 ZINC000225694104 241989948 /nfs/dbraw/zinc/98/99/48/241989948.db2.gz RBSVPMJSHMJYKQ-HZPDHXFCSA-N 0 0 340.464 2.078 40 0 EEABRN CCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC(C)CC1 ZINC000225719834 242002671 /nfs/dbraw/zinc/00/26/71/242002671.db2.gz UKUCEELRZQSXPC-UHFFFAOYSA-N 0 0 334.416 2.475 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc(F)cc1 ZINC000225881468 242069167 /nfs/dbraw/zinc/06/91/67/242069167.db2.gz LJQOFUJYOUVUSM-UHFFFAOYSA-N 0 0 343.405 2.239 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@]1(C)CC(c2cccs2)=NO1 ZINC000226749538 242113661 /nfs/dbraw/zinc/11/36/61/242113661.db2.gz UPQJMSDOXPDAON-INIZCTEOSA-N 0 0 332.429 2.343 40 0 EEABRN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000242273722 243014233 /nfs/dbraw/zinc/01/42/33/243014233.db2.gz YFKUKHFPQDIMGD-SWLSCSKDSA-N 0 0 330.436 2.172 40 0 EEABRN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O ZINC000245237724 243101173 /nfs/dbraw/zinc/10/11/73/243101173.db2.gz SUJKIRIBNZEYFA-QCUYGVNKSA-N 0 0 346.427 2.173 40 0 EEABRN COC(=O)CSc1nc2nc(C)c(-c3cccs3)c(N)n2n1 ZINC000020676224 212162658 /nfs/dbraw/zinc/16/26/58/212162658.db2.gz PKZYPAHDNDZVIW-UHFFFAOYSA-N 0 0 335.414 2.009 40 0 EEABRN C[C@@H](NC(=O)N1CCO[C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000076486415 216776972 /nfs/dbraw/zinc/77/69/72/216776972.db2.gz MFQNYGAXRUNZDA-GHMZBOCLSA-N 0 0 334.351 2.367 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(c4ncc(F)cn4)C3)C2)c1 ZINC000247889151 243475438 /nfs/dbraw/zinc/47/54/38/243475438.db2.gz FEFHGVMZUXOESF-INIZCTEOSA-N 0 0 344.390 2.274 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000253421319 243958644 /nfs/dbraw/zinc/95/86/44/243958644.db2.gz HTRTUXCJSVHYMJ-XNJJOIOASA-N 0 0 346.406 2.446 40 0 EEABRN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000076958074 216828667 /nfs/dbraw/zinc/82/86/67/216828667.db2.gz JFCRZFPTHSFODI-SJORKVTESA-N 0 0 344.455 2.312 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)n1 ZINC000257199588 244114220 /nfs/dbraw/zinc/11/42/20/244114220.db2.gz AAARUCHBSREANT-CYBMUJFWSA-N 0 0 329.404 2.240 40 0 EEABRN CCCn1nccc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257206899 244137591 /nfs/dbraw/zinc/13/75/91/244137591.db2.gz BFJLKSNHHYLAGI-AWEZNQCLSA-N 0 0 348.472 2.494 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC(c3cnccn3)CC2)n1 ZINC000257223418 244192488 /nfs/dbraw/zinc/19/24/88/244192488.db2.gz DXGYBVNXEILAJC-UHFFFAOYSA-N 0 0 329.404 2.322 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)nc(C)n1 ZINC000257224682 244196100 /nfs/dbraw/zinc/19/61/00/244196100.db2.gz FCWCLAANZBFZQP-QGZVFWFLSA-N 0 0 341.367 2.036 40 0 EEABRN Cc1ccccc1OCC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257231408 244213932 /nfs/dbraw/zinc/21/39/32/244213932.db2.gz GGONCCHGJHAMNR-LPHOPBHVSA-N 0 0 330.428 2.424 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)on1 ZINC000257243475 244250921 /nfs/dbraw/zinc/25/09/21/244250921.db2.gz IHEMMVJNZIDQJW-ZDUSSCGKSA-N 0 0 341.371 2.353 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cc(C)on1 ZINC000257240946 244240491 /nfs/dbraw/zinc/24/04/91/244240491.db2.gz HVVGRUFGHNZMJP-KRWDZBQOSA-N 0 0 329.400 2.397 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2ccccc2F)n1 ZINC000257242977 244246568 /nfs/dbraw/zinc/24/65/68/244246568.db2.gz IFAWKRNWHPKBHD-INIZCTEOSA-N 0 0 342.374 2.229 40 0 EEABRN COCC(=O)N1CC[C@@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 ZINC000257248797 244263208 /nfs/dbraw/zinc/26/32/08/244263208.db2.gz JFFNXPZKMREADJ-CQSZACIVSA-N 0 0 341.415 2.194 40 0 EEABRN Cc1nccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 ZINC000257249048 244266448 /nfs/dbraw/zinc/26/64/48/244266448.db2.gz JGLLXWXNVVWEGH-ZDUSSCGKSA-N 0 0 335.404 2.492 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccnc(C)n2)nc1 ZINC000257250373 244268665 /nfs/dbraw/zinc/26/86/65/244268665.db2.gz JMGVTXQQOCVYFJ-GOSISDBHSA-N 0 0 325.416 2.153 40 0 EEABRN Cc1nccc([C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257251352 244270942 /nfs/dbraw/zinc/27/09/42/244270942.db2.gz JQJXVLWUPIZQNB-MRXNPFEDSA-N 0 0 348.410 2.386 40 0 EEABRN COc1ccc(C2(C(=O)N3CCO[C@H](c4nc(C)c[nH]4)C3)CC2)cc1 ZINC000257253613 244276537 /nfs/dbraw/zinc/27/65/37/244276537.db2.gz JZPKTEMOTHCJIJ-INIZCTEOSA-N 0 0 341.411 2.358 40 0 EEABRN Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1cccs1 ZINC000257260161 244293605 /nfs/dbraw/zinc/29/36/05/244293605.db2.gz LBOCJRYSGDUVLU-CQSZACIVSA-N 0 0 331.441 2.249 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cc(C)cs2)n1 ZINC000257266007 244362110 /nfs/dbraw/zinc/36/21/10/244362110.db2.gz MBFMLHGUPBNXEM-GFCCVEGCSA-N 0 0 332.429 2.410 40 0 EEABRN Cn1cnc(CNC(=O)C2(Cc3ccccc3F)CCOCC2)c1 ZINC000257266323 244362136 /nfs/dbraw/zinc/36/21/36/244362136.db2.gz MCMZTRMFRBSNFP-UHFFFAOYSA-N 0 0 331.391 2.215 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000257267742 244365735 /nfs/dbraw/zinc/36/57/35/244365735.db2.gz MIOVUKKHAVZBQU-HNNXBMFYSA-N 0 0 329.400 2.341 40 0 EEABRN CC(=O)NCc1cnc(CC2CCN(c3cccc(C)n3)CC2)cn1 ZINC000257272408 244384243 /nfs/dbraw/zinc/38/42/43/244384243.db2.gz NCHHDGMNXPTOOQ-UHFFFAOYSA-N 0 0 339.443 2.275 40 0 EEABRN Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257275641 244390755 /nfs/dbraw/zinc/39/07/55/244390755.db2.gz NQFIILGVLHQGOB-HNNXBMFYSA-N 0 0 328.416 2.323 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)c4ncoc4C)CC3)ccn2n1 ZINC000257275267 244391922 /nfs/dbraw/zinc/39/19/22/244391922.db2.gz NOQDIUFFVRSKKR-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN CC(=O)N1CCC(C)(c2nc(C)cc(C(=O)NCC(C)(C)C)n2)CC1 ZINC000257288068 244427481 /nfs/dbraw/zinc/42/74/81/244427481.db2.gz PSQXUEUUGLRHOK-UHFFFAOYSA-N 0 0 346.475 2.461 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257313823 244498833 /nfs/dbraw/zinc/49/88/33/244498833.db2.gz UUGDAYDTORZSHW-OAHLLOKOSA-N 0 0 327.432 2.382 40 0 EEABRN CC(=O)N1CCc2nnc([C@H]3CCCN3Cc3ccccc3)n2CC1 ZINC000019710743 212057113 /nfs/dbraw/zinc/05/71/13/212057113.db2.gz RZNVJJVUWULSCL-QGZVFWFLSA-N 0 0 339.443 2.020 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019579810 212047589 /nfs/dbraw/zinc/04/75/89/212047589.db2.gz DUHRAZZGZOKXDB-GFCCVEGCSA-N 0 0 338.367 2.158 40 0 EEABRN COc1cccc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1 ZINC000019565467 212043733 /nfs/dbraw/zinc/04/37/33/212043733.db2.gz MTNQZADIIKHAIJ-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000078056872 217016530 /nfs/dbraw/zinc/01/65/30/217016530.db2.gz XXFDVMLQORJJCB-HNNXBMFYSA-N 0 0 342.395 2.213 40 0 EEABRN CN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289555 212011565 /nfs/dbraw/zinc/01/15/65/212011565.db2.gz XNASMUZLMPPNEP-UHFFFAOYSA-N 0 0 325.397 2.314 40 0 EEABRN Cc1nc(C2CCN(C(=O)CCn3cncn3)CC2)c2sccn12 ZINC000019240810 212008556 /nfs/dbraw/zinc/00/85/56/212008556.db2.gz FUJFSYSDCSDVQL-UHFFFAOYSA-N 0 0 344.444 2.092 40 0 EEABRN Cc1ccc(CN(CCCN2CCOCC2)Cc2cnc(C)n2C)o1 ZINC000019216453 212005018 /nfs/dbraw/zinc/00/50/18/212005018.db2.gz OQKANTHSMGFHIH-UHFFFAOYSA-N 0 0 346.475 2.354 40 0 EEABRN CN(C)C(=O)N1CCC(C(=O)O[C@@H]2CCc3ccccc3C2)CC1 ZINC000078446341 217054228 /nfs/dbraw/zinc/05/42/28/217054228.db2.gz NYUKWMDGVXANGX-QGZVFWFLSA-N 0 0 330.428 2.481 40 0 EEABRN O=C(CN1CCC(=O)NC1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000078611307 217086508 /nfs/dbraw/zinc/08/65/08/217086508.db2.gz ZZUAZUPPRTZIOC-QGZVFWFLSA-N 0 0 347.390 2.115 40 0 EEABRN O=C(Nc1ccc(I)cn1)c1ccccn1 ZINC000086997045 284311756 /nfs/dbraw/zinc/31/17/56/284311756.db2.gz SQHPXTKOUNRRIB-UHFFFAOYSA-N 0 0 325.109 2.334 40 0 EEABRN Cc1nn(C)c(C)c1Cc1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000078774380 217118458 /nfs/dbraw/zinc/11/84/58/217118458.db2.gz SUBMMLSOWJVTLF-UHFFFAOYSA-N 0 0 337.387 2.337 40 0 EEABRN CS(=O)(=O)Cc1noc(COc2ccccc2C(F)(F)F)n1 ZINC000078954900 217157575 /nfs/dbraw/zinc/15/75/75/217157575.db2.gz YOFXPVLFYQPWEO-UHFFFAOYSA-N 0 0 336.291 2.212 40 0 EEABRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cc1cnn(C)c1 ZINC000078996853 217169966 /nfs/dbraw/zinc/16/99/66/217169966.db2.gz WIFPRPYOTSMQDX-UHFFFAOYSA-N 0 0 348.834 2.493 40 0 EEABRN C[C@@H](c1ccccc1F)N1CCN(C(=O)CCCn2cncn2)CC1 ZINC000079049911 217181578 /nfs/dbraw/zinc/18/15/78/217181578.db2.gz SFHIHMHBQUFKBQ-HNNXBMFYSA-N 0 0 345.422 2.103 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000079306169 217205448 /nfs/dbraw/zinc/20/54/48/217205448.db2.gz IXJFYVXHTLJRQL-GFCCVEGCSA-N 0 0 328.351 2.418 40 0 EEABRN Cc1ccc(NC(=O)CN2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000079311767 217207001 /nfs/dbraw/zinc/20/70/01/217207001.db2.gz ASABZSCMABCWKI-UHFFFAOYSA-N 0 0 347.356 2.452 40 0 EEABRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CCS(C)(=O)=O ZINC000080168027 217285147 /nfs/dbraw/zinc/28/51/47/217285147.db2.gz OZMNUKWMQHUZGV-NHYWBVRUSA-N 0 0 342.436 2.135 40 0 EEABRN Cc1cc(C)n([C@@H](C)C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)n1 ZINC000080875927 217336308 /nfs/dbraw/zinc/33/63/08/217336308.db2.gz VECJFYKKVPLNDI-YVEFUNNKSA-N 0 0 337.370 2.363 40 0 EEABRN C[C@H](NC(=O)CCS(C)(=O)=O)c1ccc(-c2cccnc2)cc1 ZINC000081000988 217349399 /nfs/dbraw/zinc/34/93/99/217349399.db2.gz VJHNGQMHWXHNPE-ZDUSSCGKSA-N 0 0 332.425 2.361 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@H](c3[nH]nc4nccnc43)C2)s1 ZINC000012365092 211357304 /nfs/dbraw/zinc/35/73/04/211357304.db2.gz HXFIEFRDRHWXLQ-JTQLQIEISA-N 0 0 343.412 2.443 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC000012114338 211293238 /nfs/dbraw/zinc/29/32/38/211293238.db2.gz PUAZCZNNPPHSDQ-NCNPBXTDSA-N 0 0 329.375 2.214 40 0 EEABRN O=C(c1cccnc1)N1Cc2ccccc2OC[C@H]1Cn1ccnc1 ZINC000012128211 284717256 /nfs/dbraw/zinc/71/72/56/284717256.db2.gz JVYZFYGURHMJGI-QGZVFWFLSA-N 0 0 334.379 2.382 40 0 EEABRN O=C(N[C@@H]1CCc2cc(F)ccc21)N1CCN(C(=O)C2CCC2)CC1 ZINC000095349275 218283795 /nfs/dbraw/zinc/28/37/95/218283795.db2.gz YUCDOKZTQNQRKR-QGZVFWFLSA-N 0 0 345.418 2.467 40 0 EEABRN O=C(c1sc2sccc2c1Cl)N1CCS(=O)(=O)CC1 ZINC000095350985 218284700 /nfs/dbraw/zinc/28/47/00/218284700.db2.gz ORBGIDRTPVRHEU-UHFFFAOYSA-N 0 0 335.859 2.487 40 0 EEABRN Cc1cccc(=O)n1CCCCNC(=O)NC[C@@H](O)c1cccs1 ZINC000095399484 218332426 /nfs/dbraw/zinc/33/24/26/218332426.db2.gz ULMFKQILJDCUKY-CQSZACIVSA-N 0 0 349.456 2.031 40 0 EEABRN C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000095448677 218392697 /nfs/dbraw/zinc/39/26/97/218392697.db2.gz AJBHWWRHWLCQJB-MQIPJXDCSA-N 0 0 339.386 2.268 40 0 EEABRN Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000095453458 218397713 /nfs/dbraw/zinc/39/77/13/218397713.db2.gz OVWZXJPJFQQUAK-LLVKDONJSA-N 0 0 349.435 2.060 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)COc1ccc(F)cc1)C2 ZINC000096039232 218520787 /nfs/dbraw/zinc/52/07/87/218520787.db2.gz BZXPKJDGOMFBCO-WMZOPIPTSA-N 0 0 337.391 2.249 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040332 218522278 /nfs/dbraw/zinc/52/22/78/218522278.db2.gz OEQNHKAZYBVJAN-SJORKVTESA-N 0 0 343.489 2.166 40 0 EEABRN O=C(c1ccccn1)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042519 218527715 /nfs/dbraw/zinc/52/77/15/218527715.db2.gz AJHCYSNPOROZOV-KURKYZTESA-N 0 0 339.395 2.065 40 0 EEABRN C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccsc1 ZINC000096109711 218604839 /nfs/dbraw/zinc/60/48/39/218604839.db2.gz NPUCNXCKNYZJLI-ZDUSSCGKSA-N 0 0 348.472 2.126 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)c1 ZINC000096219608 218694372 /nfs/dbraw/zinc/69/43/72/218694372.db2.gz MOOFZKIDPOTUJG-JZXOWHBKSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1cccc(C(=O)NCCN(CCO)C(=O)c2cccc(C)c2)c1 ZINC000006302283 210614936 /nfs/dbraw/zinc/61/49/36/210614936.db2.gz AGUJJYXBXPUCSF-UHFFFAOYSA-N 0 0 340.423 2.168 40 0 EEABRN CC(C)CN(CC(N)=O)C(=O)/C=C/c1csc(Br)c1 ZINC000096407482 218758778 /nfs/dbraw/zinc/75/87/78/218758778.db2.gz LBMOVOKEUTWCOA-ONEGZZNKSA-N 0 0 345.262 2.494 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cc1csc(C(C)(C)C)n1 ZINC000096412816 218769217 /nfs/dbraw/zinc/76/92/17/218769217.db2.gz UEZPBVWOHGKADF-MNOVXSKESA-N 0 0 344.502 2.017 40 0 EEABRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000096414593 218771864 /nfs/dbraw/zinc/77/18/64/218771864.db2.gz ZMFSFWUXYNFCOP-AWEZNQCLSA-N 0 0 328.343 2.249 40 0 EEABRN CO[C@H](CNC(=O)c1c(C)c(C)nn(C)c1=O)c1ccc(Cl)cc1 ZINC000096425483 218794631 /nfs/dbraw/zinc/79/46/31/218794631.db2.gz VUKPUTYFWLPJSV-CQSZACIVSA-N 0 0 349.818 2.168 40 0 EEABRN CC(C)(C(=O)NCc1cccc(OCC(N)=O)c1)c1ccccc1F ZINC000096431568 218806107 /nfs/dbraw/zinc/80/61/07/218806107.db2.gz MVEQMGYVEMEVPU-UHFFFAOYSA-N 0 0 344.386 2.284 40 0 EEABRN CC[C@@H](C(=O)Nc1cc(C)c(Br)cn1)N1CCCC1=O ZINC000096494799 218872480 /nfs/dbraw/zinc/87/24/80/218872480.db2.gz QVADTZRAOBAQKB-NSHDSACASA-N 0 0 340.221 2.492 40 0 EEABRN COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3CO)co2)cc1 ZINC000097238670 219004023 /nfs/dbraw/zinc/00/40/23/219004023.db2.gz KICSUTJKFDKESR-MRXNPFEDSA-N 0 0 330.384 2.475 40 0 EEABRN CC(C)c1nnc(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000004907664 210318953 /nfs/dbraw/zinc/31/89/53/210318953.db2.gz LUNQAGAXFZLOEF-UHFFFAOYSA-N 0 0 348.384 2.010 40 0 EEABRN COC[C@@H](O)CN(C)C(=O)c1cccc(Br)c1Cl ZINC000097236261 219001650 /nfs/dbraw/zinc/00/16/50/219001650.db2.gz DIIUOXZHMPURHZ-QMMMGPOBSA-N 0 0 336.613 2.182 40 0 EEABRN CC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000097372662 219016969 /nfs/dbraw/zinc/01/69/69/219016969.db2.gz BYDUICJNLMKVQU-VIFPVBQESA-N 0 0 346.280 2.378 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(C)cc1 ZINC000257225434 285155028 /nfs/dbraw/zinc/15/50/28/285155028.db2.gz FGENSAXMJICICN-AEFFLSMTSA-N 0 0 332.444 2.399 40 0 EEABRN CNc1c(Br)cncc1S(=O)(=O)N1CCCCCC1 ZINC000072210889 257690128 /nfs/dbraw/zinc/69/01/28/257690128.db2.gz JUWBXFHEGUWRRX-UHFFFAOYSA-N 0 0 348.266 2.451 40 0 EEABRN CCOC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000409122261 257878399 /nfs/dbraw/zinc/87/83/99/257878399.db2.gz ZTWJCMZVFIBPQE-UHFFFAOYSA-N 0 0 341.429 2.193 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479817 285488779 /nfs/dbraw/zinc/48/87/79/285488779.db2.gz UFGPOZKDTVXAJO-BZSNNMDCSA-N 0 0 331.437 2.279 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccncc2)cc1 ZINC000257333984 286363402 /nfs/dbraw/zinc/36/34/02/286363402.db2.gz YEAHKMGQQAYCHS-IBGZPJMESA-N 0 0 325.412 2.496 40 0 EEABRN Cn1cc(N2CCC[C@@H](N3CCO[C@@H](c4cccs4)C3)C2=O)cn1 ZINC000247356979 160322052 /nfs/dbraw/zinc/32/20/52/160322052.db2.gz KCUYFKCBCYFJIG-HUUCEWRRSA-N 0 0 346.456 2.051 40 0 EEABRN COCc1nsc(NC(=O)c2nnn(CC3CCCC3)c2C)n1 ZINC000279680106 269299750 /nfs/dbraw/zinc/29/97/50/269299750.db2.gz HKGIPGFCLDOUPG-UHFFFAOYSA-N 0 0 336.421 2.027 40 0 EEABRN COc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1Cl ZINC000131172159 273975702 /nfs/dbraw/zinc/97/57/02/273975702.db2.gz KKYIPICGKRXYKQ-UHFFFAOYSA-N 0 0 332.791 2.101 40 0 EEABRN O=C1c2cc(I)ccc2N[C@H](O)c2cccn21 ZINC000005495721 280330455 /nfs/dbraw/zinc/33/04/55/280330455.db2.gz BZDITGWRRIVNGU-LLVKDONJSA-N 0 0 340.120 2.198 40 0 EEABRN Cc1cc(C)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226016250 280465447 /nfs/dbraw/zinc/46/54/47/280465447.db2.gz GVOFRPFCCUIIJU-UHFFFAOYSA-N 0 0 330.413 2.351 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)o1 ZINC000012225406 280763512 /nfs/dbraw/zinc/76/35/12/280763512.db2.gz KEQVKTFUULECTR-UHFFFAOYSA-N 0 0 340.379 2.385 40 0 EEABRN Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000096489326 294492545 /nfs/dbraw/zinc/49/25/45/294492545.db2.gz GLJPMVJKBBPTEP-CABCVRRESA-N 0 0 329.379 2.488 40 0 EEABRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)o1 ZINC000225580120 301725776 /nfs/dbraw/zinc/72/57/76/301725776.db2.gz HGFAHIQPQPZXPI-KGLIPLIRSA-N 0 0 342.461 2.312 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1F ZINC000333974340 312222534 /nfs/dbraw/zinc/22/25/34/312222534.db2.gz NXUUXERVKSTBLC-YPMHNXCESA-N 0 0 328.409 2.024 40 0 EEABRN C[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000547699142 318313789 /nfs/dbraw/zinc/31/37/89/318313789.db2.gz PODGFBUJJKNGLI-KRWDZBQOSA-N 0 0 330.428 2.114 40 0 EEABRN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)[C@H](C)C2)cc1 ZINC000097376521 323322528 /nfs/dbraw/zinc/32/25/28/323322528.db2.gz QXHSCNAIGPUPJX-UONOGXRCSA-N 0 0 338.473 2.032 40 0 EEABRN C[C@@H](CNC(=O)N1CCC=C(Br)C1)CC1(C)OCCO1 ZINC000252489181 464964467 /nfs/dbraw/zinc/96/44/67/464964467.db2.gz JIZJWPQSMRWWJH-LLVKDONJSA-N 0 0 347.253 2.470 40 0 EEABRN Cc1ccc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)nc1 ZINC000252487932 464965650 /nfs/dbraw/zinc/96/56/50/464965650.db2.gz IFAMZQYCQHRKBE-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN CCc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)OC(C)C)[C@@H]3C1=O ZINC000000538959 462568624 /nfs/dbraw/zinc/56/86/24/462568624.db2.gz IWWGFDIYSYVAMQ-LJCCNALRSA-N 0 0 341.407 2.487 40 0 EEABRN CC(=O)/N=c1/sccn1C[C@@H](O)c1ccc(Br)cc1 ZINC000061880700 462602946 /nfs/dbraw/zinc/60/29/46/462602946.db2.gz UBZNXVFNNOPCSO-ODHUPUGDSA-N 0 0 341.230 2.493 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)c1 ZINC000074584789 462615581 /nfs/dbraw/zinc/61/55/81/462615581.db2.gz OJCDYWVUDBPZMV-UHFFFAOYSA-N 0 0 346.408 2.459 40 0 EEABRN Cc1ccc2nnc(C(=O)NCCc3nc4ccccc4n3C)nc2c1 ZINC000046088604 462646487 /nfs/dbraw/zinc/64/64/87/462646487.db2.gz MPRXYQSMNUDLMZ-UHFFFAOYSA-N 0 0 346.394 2.192 40 0 EEABRN COC(=O)c1ccc([C@@H](C)N2CCN(Cc3ccncc3)CC2)o1 ZINC000089267642 462660975 /nfs/dbraw/zinc/66/09/75/462660975.db2.gz XOPYIKRKJUVNRX-CQSZACIVSA-N 0 0 329.400 2.340 40 0 EEABRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)CC1 ZINC000006308103 462681731 /nfs/dbraw/zinc/68/17/31/462681731.db2.gz XMGOIPBPAVDKOV-UVTDQMKNSA-N 0 0 345.424 2.376 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000006324770 462682201 /nfs/dbraw/zinc/68/22/01/462682201.db2.gz ZMYYYNITNUYCPX-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)CC1 ZINC000006308181 462682319 /nfs/dbraw/zinc/68/23/19/462682319.db2.gz CLDPEXDPYKWVPC-GXDHUFHOSA-N 0 0 345.424 2.376 40 0 EEABRN CN(C)S(=O)(=O)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000075156588 462688163 /nfs/dbraw/zinc/68/81/63/462688163.db2.gz PLEXZMYBMGOBDZ-UHFFFAOYSA-N 0 0 346.880 2.375 40 0 EEABRN Cc1ccc(N2C[C@H](C(=O)NCc3cnn4ccccc34)CC2=O)cc1 ZINC000075162796 462689652 /nfs/dbraw/zinc/68/96/52/462689652.db2.gz ZKQMAGRNEGBTCW-OAHLLOKOSA-N 0 0 348.406 2.312 40 0 EEABRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000006648391 462694490 /nfs/dbraw/zinc/69/44/90/462694490.db2.gz QLBDVTXQCRLXFG-LCYFTJDESA-N 0 0 334.397 2.345 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000006933913 462712703 /nfs/dbraw/zinc/71/27/03/462712703.db2.gz PAYKRTLQEDFXFH-HIFRSBDPSA-N 0 0 326.462 2.213 40 0 EEABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000007070310 462720784 /nfs/dbraw/zinc/72/07/84/462720784.db2.gz YBCGIHVTHBEBEY-CHWSQXEVSA-N 0 0 342.461 2.057 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)Cc2cccs2)s1 ZINC000007345326 462731305 /nfs/dbraw/zinc/73/13/05/462731305.db2.gz GZDVAWWMSJOLOO-UHFFFAOYSA-N 0 0 329.428 2.046 40 0 EEABRN O=C(Cc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000075560526 462731426 /nfs/dbraw/zinc/73/14/26/462731426.db2.gz PRKOCURFNKRKSU-UHFFFAOYSA-N 0 0 334.379 2.236 40 0 EEABRN CC(=O)N1CCc2cc(C(=O)NC[C@H](C)CC3(C)OCCO3)ccc21 ZINC000089895216 462736933 /nfs/dbraw/zinc/73/69/33/462736933.db2.gz KSRCUUBYTDAJLI-CYBMUJFWSA-N 0 0 346.427 2.115 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000007940232 462758196 /nfs/dbraw/zinc/75/81/96/462758196.db2.gz QEXPEGDIKGPBSZ-JTQLQIEISA-N 0 0 340.351 2.270 40 0 EEABRN CCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000008478405 462785620 /nfs/dbraw/zinc/78/56/20/462785620.db2.gz PPYAEZAHVVPDLB-UHFFFAOYSA-N 0 0 332.853 2.412 40 0 EEABRN COc1ccc(CCNS(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000008496659 462785846 /nfs/dbraw/zinc/78/58/46/462785846.db2.gz WLWPQQQXQSZIRE-UHFFFAOYSA-N 0 0 339.388 2.364 40 0 EEABRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCCC1 ZINC000008512577 462786634 /nfs/dbraw/zinc/78/66/34/462786634.db2.gz HYMQXXMIKRJKPA-UHFFFAOYSA-N 0 0 342.848 2.361 40 0 EEABRN O=C(COc1ccc(Cl)cc1)N1CCOC2(CCOCC2)C1 ZINC000090608831 462802574 /nfs/dbraw/zinc/80/25/74/462802574.db2.gz VQWHXVLPRJZQRZ-UHFFFAOYSA-N 0 0 325.792 2.127 40 0 EEABRN CCn1nnnc1-c1cccc(NC(=O)NCCc2ccccn2)c1 ZINC000076326949 462841302 /nfs/dbraw/zinc/84/13/02/462841302.db2.gz OXBLRXXRPSBISF-UHFFFAOYSA-N 0 0 337.387 2.119 40 0 EEABRN C[C@H]1CCCCN1C(=O)CN1c2ccccc2C2=NCCN2C1=O ZINC000012182977 462847347 /nfs/dbraw/zinc/84/73/47/462847347.db2.gz RQDKZCUYIUSPAK-ZDUSSCGKSA-N 0 0 326.400 2.090 40 0 EEABRN Cn1nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)c2cccnc21 ZINC000013265369 462888829 /nfs/dbraw/zinc/88/88/29/462888829.db2.gz DGILCVBOGIYGNN-CQSZACIVSA-N 0 0 328.416 2.101 40 0 EEABRN C[C@@H]1CC(=O)c2cnc(NC(=O)c3ccc4c(c3)OCO4)nc2C1 ZINC000013635959 462898824 /nfs/dbraw/zinc/89/88/24/462898824.db2.gz ZILFFNHSBVHDAH-VIFPVBQESA-N 0 0 325.324 2.223 40 0 EEABRN CCCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714688 462901048 /nfs/dbraw/zinc/90/10/48/462901048.db2.gz FTLWOENYCBTRNU-ZDUSSCGKSA-N 0 0 332.853 2.411 40 0 EEABRN CC[C@H](C(=O)NC(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711837 462901345 /nfs/dbraw/zinc/90/13/45/462901345.db2.gz HHOSILQPQDLWBQ-CYBMUJFWSA-N 0 0 332.853 2.409 40 0 EEABRN Cc1noc(C)c1CNS(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000076828957 462914139 /nfs/dbraw/zinc/91/41/39/462914139.db2.gz PGWPJKFMDOUPCF-UHFFFAOYSA-N 0 0 343.836 2.411 40 0 EEABRN COc1c(Cl)cc(/C=C2\NC(=O)NC2=O)cc1Br ZINC000015012866 462937914 /nfs/dbraw/zinc/93/79/14/462937914.db2.gz VCWXSEGMYVVTNS-YWEYNIOJSA-N 0 0 331.553 2.291 40 0 EEABRN COC(=O)c1nc2c(n(C)/c1=N\C(=O)Nc1ccccc1)CCCC2 ZINC000017105897 462996257 /nfs/dbraw/zinc/99/62/57/462996257.db2.gz MCZQJKGOUILNEO-PGMHBOJBSA-N 0 0 340.383 2.218 40 0 EEABRN CC(C)CN1C[C@@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O ZINC000019447080 463017287 /nfs/dbraw/zinc/01/72/87/463017287.db2.gz GDIMQIPKBRCBDZ-FUHWJXTLSA-N 0 0 344.455 2.263 40 0 EEABRN CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000052052349 463059299 /nfs/dbraw/zinc/05/92/99/463059299.db2.gz UCWFTCWQYKTUTA-UHFFFAOYSA-N 0 0 338.454 2.009 40 0 EEABRN Cc1ccc(NC2CCN(C(=O)[C@H](C)N3CCN(C)CC3)CC2)cc1 ZINC000095395274 463074705 /nfs/dbraw/zinc/07/47/05/463074705.db2.gz USFBWQMFGFEJPY-KRWDZBQOSA-N 0 0 344.503 2.034 40 0 EEABRN Cc1ncsc1C(=O)OCCn1cc(Br)ccc1=O ZINC000095463484 463089147 /nfs/dbraw/zinc/08/91/47/463089147.db2.gz LISQZUWBGALIGT-UHFFFAOYSA-N 0 0 343.202 2.233 40 0 EEABRN O[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1 ZINC000095869937 463108530 /nfs/dbraw/zinc/10/85/30/463108530.db2.gz MXNWLHBKIGOLJO-USYVTKNRSA-N 0 0 342.391 2.273 40 0 EEABRN Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000096025711 463142306 /nfs/dbraw/zinc/14/23/06/463142306.db2.gz DXDCIRZNUDERBE-UHFFFAOYSA-N 0 0 337.420 2.186 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096039106 463143918 /nfs/dbraw/zinc/14/39/18/463143918.db2.gz ZTKSOVXGYCGTCI-CVEARBPZSA-N 0 0 343.420 2.032 40 0 EEABRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 ZINC000096041896 463146662 /nfs/dbraw/zinc/14/66/62/463146662.db2.gz KCJUVYIWXQDBIG-GVDBMIGSSA-N 0 0 329.375 2.427 40 0 EEABRN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cc2)C[C@H](C)O1 ZINC000078773374 463147640 /nfs/dbraw/zinc/14/76/40/463147640.db2.gz JQLGFJMJVMKPJK-KBPBESRZSA-N 0 0 347.440 2.496 40 0 EEABRN Cc1cc(CNC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)no1 ZINC000078876647 463158134 /nfs/dbraw/zinc/15/81/34/463158134.db2.gz ITBSMKKBHDEWKR-UHFFFAOYSA-N 0 0 340.376 2.234 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC000096055459 463158442 /nfs/dbraw/zinc/15/84/42/463158442.db2.gz TWVLVQMUUMNMNL-NUEKZKHPSA-N 0 0 328.368 2.373 40 0 EEABRN O=c1ccc2c(n1Cc1cccnc1)CC[C@H](Nc1ncccn1)C2 ZINC000096067701 463165018 /nfs/dbraw/zinc/16/50/18/463165018.db2.gz YLMAADOTSFWBFR-INIZCTEOSA-N 0 0 333.395 2.051 40 0 EEABRN c1snnc1CN1CCCC2(CCN(c3cnccn3)CC2)C1 ZINC000096071891 463165496 /nfs/dbraw/zinc/16/54/96/463165496.db2.gz VVZJXPNXCRTHLY-UHFFFAOYSA-N 0 0 330.461 2.211 40 0 EEABRN O=C(c1cccnc1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 ZINC000096100370 463173356 /nfs/dbraw/zinc/17/33/56/463173356.db2.gz IOLKWCDJUDAKDL-UFYCRDLUSA-N 0 0 349.434 2.324 40 0 EEABRN Cc1nnsc1C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000096103720 463173829 /nfs/dbraw/zinc/17/38/29/463173829.db2.gz XPBQCKZBLSRCGA-UHFFFAOYSA-N 0 0 345.350 2.369 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096105769 463173904 /nfs/dbraw/zinc/17/39/04/463173904.db2.gz WHZKJUOMMBYDDT-QGZVFWFLSA-N 0 0 333.428 2.282 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107621 463175052 /nfs/dbraw/zinc/17/50/52/463175052.db2.gz TXMPIOHLOADDQR-HKUYNNGSSA-N 0 0 342.395 2.194 40 0 EEABRN Cc1cc(CN2C[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)no1 ZINC000096108081 463176077 /nfs/dbraw/zinc/17/60/77/463176077.db2.gz PKSGCTGSAMKGGU-GDBMZVCRSA-N 0 0 347.440 2.018 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)nc1 ZINC000096181735 463194228 /nfs/dbraw/zinc/19/42/28/463194228.db2.gz QCRBNBYNYWMDER-SJORKVTESA-N 0 0 343.358 2.066 40 0 EEABRN Cc1c(NC(=O)CSc2ccccc2)c(C(=O)N(C)C)nn1C ZINC000096182442 463194253 /nfs/dbraw/zinc/19/42/53/463194253.db2.gz CHPITXHVPRBRDS-UHFFFAOYSA-N 0 0 332.429 2.161 40 0 EEABRN O=C(C1CC=CC1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096187216 463199151 /nfs/dbraw/zinc/19/91/51/463199151.db2.gz XVMHDPRXIHZSQU-PMPSAXMXSA-N 0 0 332.375 2.324 40 0 EEABRN Cc1cccc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187101 463199450 /nfs/dbraw/zinc/19/94/50/463199450.db2.gz OQTWLRPAGKMMAZ-SQNIBIBYSA-N 0 0 339.395 2.236 40 0 EEABRN CCOC[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cn(C)nc21 ZINC000096198001 463202908 /nfs/dbraw/zinc/20/29/08/463202908.db2.gz UJTBURADXOOTLP-HNNXBMFYSA-N 0 0 349.456 2.053 40 0 EEABRN COCCO[C@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1cccnc1 ZINC000096200516 463205730 /nfs/dbraw/zinc/20/57/30/463205730.db2.gz CHTMUJKGDBHSFT-HOTGVXAUSA-N 0 0 347.440 2.027 40 0 EEABRN CO[C@@H]1CCN(C(=O)COc2cccc(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000096218826 463216607 /nfs/dbraw/zinc/21/66/07/463216607.db2.gz OBWCMYNBOSSNQU-LZWOXQAQSA-N 0 0 325.792 2.124 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 ZINC000096229749 463223226 /nfs/dbraw/zinc/22/32/26/463223226.db2.gz QVSQXNPTDFQZQX-KRWDZBQOSA-N 0 0 336.457 2.161 40 0 EEABRN O=C(CC1CC1)N1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244125 463225677 /nfs/dbraw/zinc/22/56/77/463225677.db2.gz ZIVHQFNJLGWMBG-IBGZPJMESA-N 0 0 342.443 2.099 40 0 EEABRN CCC(=O)N1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244226 463225817 /nfs/dbraw/zinc/22/58/17/463225817.db2.gz SJVFCQMVSMIMFR-GOSISDBHSA-N 0 0 342.399 2.092 40 0 EEABRN Cn1ccnc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096250079 463227290 /nfs/dbraw/zinc/22/72/90/463227290.db2.gz PPKNSRQIXOFBHT-JKIFEVAISA-N 0 0 348.472 2.073 40 0 EEABRN COCc1ccccc1CNC(=O)NCC[S@@](=O)c1ccccc1 ZINC000096408749 463241335 /nfs/dbraw/zinc/24/13/35/463241335.db2.gz OEOKUVBZJQLSEO-DEOSSOPVSA-N 0 0 346.452 2.440 40 0 EEABRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCC[C@@H](O)C(F)(F)F ZINC000096413318 463245888 /nfs/dbraw/zinc/24/58/88/463245888.db2.gz YCPKUMZKRIZYPP-NWDGAFQWSA-N 0 0 332.322 2.349 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000096414499 463247491 /nfs/dbraw/zinc/24/74/91/463247491.db2.gz XAXSKSWPFLVIID-QZTJIDSGSA-N 0 0 344.455 2.153 40 0 EEABRN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(Cl)c1F ZINC000096420346 463251882 /nfs/dbraw/zinc/25/18/82/463251882.db2.gz SBVHWSOMOYNABZ-SKDRFNHKSA-N 0 0 328.771 2.085 40 0 EEABRN CCC[C@@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1 ZINC000096421417 463252643 /nfs/dbraw/zinc/25/26/43/463252643.db2.gz VZBNWTSDBSCWIK-SJLPKXTDSA-N 0 0 330.432 2.468 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1C ZINC000096423715 463253651 /nfs/dbraw/zinc/25/36/51/463253651.db2.gz UMKLANTUUFAQQN-STQMWFEESA-N 0 0 334.370 2.184 40 0 EEABRN CCc1cc(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)n(C)n1 ZINC000096425184 463254641 /nfs/dbraw/zinc/25/46/41/463254641.db2.gz TZPSPHRWWLCDQJ-WFASDCNBSA-N 0 0 335.452 2.141 40 0 EEABRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccnn1C ZINC000096426207 463256157 /nfs/dbraw/zinc/25/61/57/463256157.db2.gz PGEOGXVHNHQJJO-SNVBAGLBSA-N 0 0 338.205 2.266 40 0 EEABRN CCn1cc(NC(=O)CN2CCOc3ccc(Cl)cc32)ccc1=O ZINC000096427066 463257162 /nfs/dbraw/zinc/25/71/62/463257162.db2.gz KXJNQVMZCVABSR-UHFFFAOYSA-N 0 0 347.802 2.359 40 0 EEABRN Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCO[C@H](C)C2)s1 ZINC000096428035 463258110 /nfs/dbraw/zinc/25/81/10/463258110.db2.gz ATVDOMIELISVRR-DGCLKSJQSA-N 0 0 330.475 2.159 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096428326 463258287 /nfs/dbraw/zinc/25/82/87/463258287.db2.gz RCMDCQOLFPZENI-MLGOLLRUSA-N 0 0 336.388 2.371 40 0 EEABRN Cn1ncc(N2CC[C@H](COCc3ccccc3)C2)c(Cl)c1=O ZINC000096429787 463259188 /nfs/dbraw/zinc/25/91/88/463259188.db2.gz SVHBDNOYZVZSJV-AWEZNQCLSA-N 0 0 333.819 2.477 40 0 EEABRN OC[C@@H](Cc1c[nH]c2ccccc12)Nc1cncc(-n2cccn2)n1 ZINC000096429842 463259313 /nfs/dbraw/zinc/25/93/13/463259313.db2.gz XUUMSPBXROATOK-CQSZACIVSA-N 0 0 334.383 2.159 40 0 EEABRN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ncn(Cc3cccnc3)n1)C2 ZINC000096430801 463259885 /nfs/dbraw/zinc/25/98/85/463259885.db2.gz JTKGFBZTAWWFFH-KRWDZBQOSA-N 0 0 349.394 2.280 40 0 EEABRN C[C@H](C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000096432217 463261021 /nfs/dbraw/zinc/26/10/21/463261021.db2.gz HUUOYOYCVHJFDM-JQWIXIFHSA-N 0 0 339.442 2.046 40 0 EEABRN COCC[C@@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437042 463264369 /nfs/dbraw/zinc/26/43/69/463264369.db2.gz UNABEPSGZUYYMQ-PELKAZGASA-N 0 0 333.201 2.129 40 0 EEABRN C[C@](O)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccco1 ZINC000096439542 463266222 /nfs/dbraw/zinc/26/62/22/463266222.db2.gz LLCXMMGZVNTEOJ-SFHVURJKSA-N 0 0 340.383 2.172 40 0 EEABRN CC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000096443891 463269682 /nfs/dbraw/zinc/26/96/82/463269682.db2.gz DRWFUURDQIRNRI-SSDOTTSWSA-N 0 0 348.350 2.337 40 0 EEABRN Cc1c(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)cnn1C ZINC000096443779 463269723 /nfs/dbraw/zinc/26/97/23/463269723.db2.gz WRHBWHJAKADGSU-UHFFFAOYSA-N 0 0 330.319 2.198 40 0 EEABRN C[S@@](=O)C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccccc1 ZINC000096445396 463269777 /nfs/dbraw/zinc/26/97/77/463269777.db2.gz QEFCSNYMFSORPO-LNPFQXMTSA-N 0 0 329.421 2.399 40 0 EEABRN CC(C)c1nncn1CCNC(=O)C[C@@H]1OCCc2ccccc21 ZINC000096444415 463269845 /nfs/dbraw/zinc/26/98/45/463269845.db2.gz RAVFJJBVIOCBDG-INIZCTEOSA-N 0 0 328.416 2.222 40 0 EEABRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096446223 463270621 /nfs/dbraw/zinc/27/06/21/463270621.db2.gz BQUUMYKCVOZSAH-MCFWBGNESA-N 0 0 347.440 2.348 40 0 EEABRN CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447288 463270780 /nfs/dbraw/zinc/27/07/80/463270780.db2.gz RXKQYEORXRKCGB-ZDUSSCGKSA-N 0 0 326.400 2.245 40 0 EEABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC000096449566 463271878 /nfs/dbraw/zinc/27/18/78/463271878.db2.gz KDWYOKOONGRTKB-GFCCVEGCSA-N 0 0 337.445 2.229 40 0 EEABRN O=C(NCCCNC(=O)C1CCC1)NCC1(c2ccccc2F)CC1 ZINC000096452364 463272972 /nfs/dbraw/zinc/27/29/72/463272972.db2.gz ZXZYJLCQGPFSAJ-UHFFFAOYSA-N 0 0 347.434 2.463 40 0 EEABRN Cc1cscc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000096454246 463274011 /nfs/dbraw/zinc/27/40/11/463274011.db2.gz BLHYXABBYNBJPP-UHFFFAOYSA-N 0 0 329.425 2.486 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000096477120 463280605 /nfs/dbraw/zinc/28/06/05/463280605.db2.gz QFMLBKBVLLZQFB-DGCLKSJQSA-N 0 0 341.337 2.139 40 0 EEABRN Cc1nc(S(=O)(=O)Cc2nnc(C)n2C)n(C2CCCC2)c1C ZINC000096490350 463286287 /nfs/dbraw/zinc/28/62/87/463286287.db2.gz ATIYGFYEGFKYOA-UHFFFAOYSA-N 0 0 337.449 2.026 40 0 EEABRN CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)o2)c1 ZINC000096494141 463287944 /nfs/dbraw/zinc/28/79/44/463287944.db2.gz BRNCMBNYFHNXRM-QGZVFWFLSA-N 0 0 342.395 2.396 40 0 EEABRN C[C@H]1CN(C(=O)CNC(=O)c2c(F)cccc2Cl)C(C)(C)CO1 ZINC000097095705 463321915 /nfs/dbraw/zinc/32/19/15/463321915.db2.gz UTAQWJYSKSFWSU-JTQLQIEISA-N 0 0 342.798 2.235 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC[C@@H]1Cc3ccccc31)CC2 ZINC000097100640 463323919 /nfs/dbraw/zinc/32/39/19/463323919.db2.gz IIGCCPYLOJSSBO-CGTJXYLNSA-N 0 0 344.455 2.288 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc2c1OCCCO2 ZINC000056044404 463371545 /nfs/dbraw/zinc/37/15/45/463371545.db2.gz JQFMIGMANWFRHY-AWEZNQCLSA-N 0 0 348.424 2.204 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000070641333 463377758 /nfs/dbraw/zinc/37/77/58/463377758.db2.gz YIUXLZZKCHXQRH-GOSISDBHSA-N 0 0 342.439 2.421 40 0 EEABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000033851549 463425911 /nfs/dbraw/zinc/42/59/11/463425911.db2.gz SHGZDIRIPQVRJT-ZDUSSCGKSA-N 0 0 326.462 2.373 40 0 EEABRN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000036628039 463437056 /nfs/dbraw/zinc/43/70/56/463437056.db2.gz BYHXPILZCGRAFE-UHFFFAOYSA-N 0 0 330.837 2.263 40 0 EEABRN CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(C)C ZINC000038187154 463446154 /nfs/dbraw/zinc/44/61/54/463446154.db2.gz GUWLELXMOIVPJJ-CYBMUJFWSA-N 0 0 330.388 2.296 40 0 EEABRN CC[C@@H](CO)NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000057129403 463454561 /nfs/dbraw/zinc/45/45/61/463454561.db2.gz SPCCJGLKEFVUPT-JTQLQIEISA-N 0 0 333.201 2.201 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)N2CCSCC2)[C@@H]1c1ccccc1F ZINC000057355238 463480349 /nfs/dbraw/zinc/48/03/49/463480349.db2.gz WOBCHFPMJINFNQ-BBRMVZONSA-N 0 0 336.432 2.311 40 0 EEABRN CC(=O)N1CCN(c2ccc(CNC(=O)OC(C)(C)C)c(C)n2)CC1 ZINC000072224773 463484720 /nfs/dbraw/zinc/48/47/20/463484720.db2.gz WJHXWXUTQRUYPU-UHFFFAOYSA-N 0 0 348.447 2.083 40 0 EEABRN COCCNC(=O)[C@@H]1C[C@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000107274892 463564163 /nfs/dbraw/zinc/56/41/63/463564163.db2.gz NIJZCFHMUDVGGV-AZUAARDMSA-N 0 0 346.471 2.342 40 0 EEABRN CCCCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000107602167 463575972 /nfs/dbraw/zinc/57/59/72/463575972.db2.gz JLMIJFYFCFZQJG-UHFFFAOYSA-N 0 0 326.462 2.224 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OC(F)F)c1 ZINC000058407247 463594580 /nfs/dbraw/zinc/59/45/80/463594580.db2.gz BJDXHENUGXCODF-NSHDSACASA-N 0 0 328.340 2.254 40 0 EEABRN COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(OC)c1 ZINC000109029800 463631336 /nfs/dbraw/zinc/63/13/36/463631336.db2.gz CJWCFCJZCQSCLW-RRQGHBQHSA-N 0 0 346.427 2.440 40 0 EEABRN Cc1ccc(OCC(=O)NCC2CCN(c3ncccn3)CC2)cc1 ZINC000043977060 463663686 /nfs/dbraw/zinc/66/36/86/463663686.db2.gz UWBNECITEUPKLC-UHFFFAOYSA-N 0 0 340.427 2.197 40 0 EEABRN NC(=O)c1nccnc1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000073892511 463667214 /nfs/dbraw/zinc/66/72/14/463667214.db2.gz DXGYWTJRQOAJLZ-UHFFFAOYSA-N 0 0 344.440 2.269 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000112326734 463699016 /nfs/dbraw/zinc/69/90/16/463699016.db2.gz WXBWNTNTOGPLQU-KJOBWXMXSA-N 0 0 347.465 2.121 40 0 EEABRN O=C(CCN1CCSC1=O)NCCc1cccc2cccnc21 ZINC000044895908 463699760 /nfs/dbraw/zinc/69/97/60/463699760.db2.gz IDIZKVOADFJJCN-UHFFFAOYSA-N 0 0 329.425 2.452 40 0 EEABRN CCOC(=O)C1=C(n2cnnn2)[C@@H](c2ccccc2)C(=S)S1 ZINC000257173072 463756367 /nfs/dbraw/zinc/75/63/67/463756367.db2.gz CAYOBZPEPAUXGX-SNVBAGLBSA-N 0 0 332.410 2.263 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)CC1 ZINC000257276776 463757906 /nfs/dbraw/zinc/75/79/06/463757906.db2.gz NVAWWXHPOJTWSM-OBJOEFQTSA-N 0 0 329.404 2.249 40 0 EEABRN CO[C@H]1CCCOC12CC[NH+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000257281936 463759555 /nfs/dbraw/zinc/75/95/55/463759555.db2.gz OROIAPVRLPVWRU-KRWDZBQOSA-N 0 0 349.427 2.310 40 0 EEABRN O=C(CCCn1ccnc1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257283643 463761504 /nfs/dbraw/zinc/76/15/04/463761504.db2.gz OZESUINGVXILAO-HNNXBMFYSA-N 0 0 329.404 2.011 40 0 EEABRN COc1cccc([C@@H]2Cn3c(C)cnc3CN2C(=O)c2ccnnc2)c1 ZINC000257282956 463761594 /nfs/dbraw/zinc/76/15/94/463761594.db2.gz OWATZLSGXSLYQJ-KRWDZBQOSA-N 0 0 349.394 2.387 40 0 EEABRN Cc1ccsc1C(=O)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291266 463765086 /nfs/dbraw/zinc/76/50/86/463765086.db2.gz QGHPLAXZPGLUIF-ZDUSSCGKSA-N 0 0 333.413 2.026 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)s1 ZINC000257295208 463766443 /nfs/dbraw/zinc/76/64/43/463766443.db2.gz QXKZIDSGKOFOLU-AWEZNQCLSA-N 0 0 331.441 2.107 40 0 EEABRN COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)c1ccnnc1 ZINC000257302898 463769105 /nfs/dbraw/zinc/76/91/05/463769105.db2.gz SEWPSRGFDIBSRM-MRXNPFEDSA-N 0 0 349.394 2.387 40 0 EEABRN Cc1nc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)cc(=O)[nH]1 ZINC000257303335 463770519 /nfs/dbraw/zinc/77/05/19/463770519.db2.gz SGUFDNLEPJRJOP-LBPRGKRZSA-N 0 0 340.305 2.482 40 0 EEABRN c1cnc(Nc2cncc([C@H]3CCCN(c4cnccn4)C3)n2)cn1 ZINC000257313267 463773372 /nfs/dbraw/zinc/77/33/72/463773372.db2.gz URPIPEFDEPTXFX-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257316374 463775614 /nfs/dbraw/zinc/77/56/14/463775614.db2.gz VFIHRUXMLUWRLY-GFCCVEGCSA-N 0 0 328.368 2.213 40 0 EEABRN Cn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257327591 463780257 /nfs/dbraw/zinc/78/02/57/463780257.db2.gz XBYMPGMCNWPRAN-OAHLLOKOSA-N 0 0 339.395 2.498 40 0 EEABRN CCc1nccn1CCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 ZINC000257336956 463784772 /nfs/dbraw/zinc/78/47/72/463784772.db2.gz YQTZNOXUDRPYLD-KRWDZBQOSA-N 0 0 326.444 2.351 40 0 EEABRN CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(C(F)F)n1 ZINC000257344127 463787317 /nfs/dbraw/zinc/78/73/17/463787317.db2.gz ZVWGFYGCLBUORS-ZIAGYGMSSA-N 0 0 340.374 2.284 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H](c3ccnc(NC)c3)C2)n1 ZINC000257343771 463787594 /nfs/dbraw/zinc/78/75/94/463787594.db2.gz ZUIQGTTVDMVSHQ-CQSZACIVSA-N 0 0 343.431 2.408 40 0 EEABRN Cc1ncoc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257343574 463788089 /nfs/dbraw/zinc/78/80/89/463788089.db2.gz ZTNJGXMLDIAWAM-GJZGRUSLSA-N 0 0 334.347 2.167 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000260828200 463792283 /nfs/dbraw/zinc/79/22/83/463792283.db2.gz MTPRDBLQDQWAKD-HNNXBMFYSA-N 0 0 338.473 2.229 40 0 EEABRN O=C(Nc1ccncn1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000194178217 463809790 /nfs/dbraw/zinc/80/97/90/463809790.db2.gz MYYUVECUMNXZEM-UHFFFAOYSA-N 0 0 331.807 2.480 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)Nc2ccnc3ccnn32)[C@H]1c1ccccc1 ZINC000171996522 463964071 /nfs/dbraw/zinc/96/40/71/463964071.db2.gz FLRCPXWVOQWMEC-RDTXWAMCSA-N 0 0 349.394 2.278 40 0 EEABRN COc1cccc(CN(C)S(=O)(=O)c2cc(C)ccc2OC)n1 ZINC000195465674 464057434 /nfs/dbraw/zinc/05/74/34/464057434.db2.gz ZZFGNIUCRUYPNX-UHFFFAOYSA-N 0 0 336.413 2.228 40 0 EEABRN CC(C)c1ccccc1S(=O)(=O)NCc1cccc(C(N)=O)c1 ZINC000195576848 464079747 /nfs/dbraw/zinc/07/97/47/464079747.db2.gz DWOCKYDACIYOQU-UHFFFAOYSA-N 0 0 332.425 2.387 40 0 EEABRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 ZINC000218409623 464109057 /nfs/dbraw/zinc/10/90/57/464109057.db2.gz XEEJTCFSMZNRGX-ZWKOTPCHSA-N 0 0 346.448 2.160 40 0 EEABRN COC(=O)C1CCN(C(=O)CSCc2ccccc2F)CC1 ZINC000222708181 464132785 /nfs/dbraw/zinc/13/27/85/464132785.db2.gz RXPKYLKBWNBJBF-UHFFFAOYSA-N 0 0 325.405 2.471 40 0 EEABRN CC(C)C(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)C(C)C ZINC000223582503 464143974 /nfs/dbraw/zinc/14/39/74/464143974.db2.gz FYSGJCDTEGPWDW-UHFFFAOYSA-N 0 0 340.489 2.245 40 0 EEABRN C[C@H](CCc1ccccc1)NC(=O)c1cc(N2CCOCC2)on1 ZINC000224081487 464148795 /nfs/dbraw/zinc/14/87/95/464148795.db2.gz RXVDLJAHRLLEPC-CQSZACIVSA-N 0 0 329.400 2.262 40 0 EEABRN COc1ccccc1O[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225270404 464155307 /nfs/dbraw/zinc/15/53/07/464155307.db2.gz LBMIWGRSLBRLGV-KGLIPLIRSA-N 0 0 343.379 2.419 40 0 EEABRN COc1cccc(O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000225266377 464156106 /nfs/dbraw/zinc/15/61/06/464156106.db2.gz PAKFPHCWEMPWLD-CJNGLKHVSA-N 0 0 343.379 2.419 40 0 EEABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccccc1 ZINC000225410998 464158732 /nfs/dbraw/zinc/15/87/32/464158732.db2.gz FGSDNBKTRXVOAB-MRXNPFEDSA-N 0 0 332.425 2.476 40 0 EEABRN O=C(Cc1ccc(F)cc1F)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225473963 464164196 /nfs/dbraw/zinc/16/41/96/464164196.db2.gz KTRUWCYHQHHJSK-AWEZNQCLSA-N 0 0 333.338 2.367 40 0 EEABRN COC(=O)[C@H]1CCCN1c1ccc2nnc(-c3ccccc3F)n2n1 ZINC000225491924 464166751 /nfs/dbraw/zinc/16/67/51/464166751.db2.gz RVOUPZXPLKIHRY-CYBMUJFWSA-N 0 0 341.346 2.072 40 0 EEABRN O=C([C@H]1CCCc2cccnc21)N1CCO[C@@H](COCC2CC2)C1 ZINC000225523656 464169678 /nfs/dbraw/zinc/16/96/78/464169678.db2.gz YNQMTIADUZGAJN-SJORKVTESA-N 0 0 330.428 2.156 40 0 EEABRN O=C(NCc1ccc([C@@H](O)c2ccco2)s1)NC1CCOCC1 ZINC000225556801 464170721 /nfs/dbraw/zinc/17/07/21/464170721.db2.gz XBQFROKLCYTUBJ-HNNXBMFYSA-N 0 0 336.413 2.401 40 0 EEABRN O=S(=O)([C@@H]1CCN(c2ccnc3c(F)cccc23)C1)N1CCCC1 ZINC000225590837 464173622 /nfs/dbraw/zinc/17/36/22/464173622.db2.gz LCHRWTGSZCUBBR-CYBMUJFWSA-N 0 0 349.431 2.378 40 0 EEABRN CC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225601420 464175309 /nfs/dbraw/zinc/17/53/09/464175309.db2.gz BNYMPOXMBDZHHI-SFHVURJKSA-N 0 0 334.416 2.441 40 0 EEABRN COC1(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)CCCC1 ZINC000225625890 464176344 /nfs/dbraw/zinc/17/63/44/464176344.db2.gz KRATYRNAFGQGPR-UHFFFAOYSA-N 0 0 348.443 2.295 40 0 EEABRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)CN1CCCC1=O ZINC000280768500 464251242 /nfs/dbraw/zinc/25/12/42/464251242.db2.gz RHAQJASJIGACAY-UHFFFAOYSA-N 0 0 345.182 2.341 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180561518 464336690 /nfs/dbraw/zinc/33/66/90/464336690.db2.gz XATGDSROAYWJLA-UHFFFAOYSA-N 0 0 328.294 2.468 40 0 EEABRN O=C(CNc1ccccc1)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000237828519 464385582 /nfs/dbraw/zinc/38/55/82/464385582.db2.gz HNELBEYISDIRGF-UHFFFAOYSA-N 0 0 343.349 2.016 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175504364 464564111 /nfs/dbraw/zinc/56/41/11/464564111.db2.gz QMYSWFKCXRXXML-UHFFFAOYSA-N 0 0 325.217 2.213 40 0 EEABRN O=C(NCCc1ccc(F)c(F)c1)N1CCCN(CC(F)F)CC1 ZINC000190365562 464629464 /nfs/dbraw/zinc/62/94/64/464629464.db2.gz BMDAUWXIXAOBAY-UHFFFAOYSA-N 0 0 347.356 2.490 40 0 EEABRN Fc1ccc(CN2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cc1 ZINC000247518835 464689052 /nfs/dbraw/zinc/68/90/52/464689052.db2.gz KTWLCLQODIDAHZ-INIZCTEOSA-N 0 0 329.375 2.428 40 0 EEABRN COCC[C@H]1CCOC12CN(C(=O)CC1Cc3ccccc3C1)C2 ZINC000247819481 464707786 /nfs/dbraw/zinc/70/77/86/464707786.db2.gz CMOKGGLJRGDRIN-SFHVURJKSA-N 0 0 329.440 2.446 40 0 EEABRN COc1cc(N2CCc3c(COCC4CC4)cncc3C2)ncn1 ZINC000247878523 464712056 /nfs/dbraw/zinc/71/20/56/464712056.db2.gz IDUSMRSJLMYIJH-UHFFFAOYSA-N 0 0 326.400 2.370 40 0 EEABRN O=C(C[C@@H]1CN(Cc2ccco2)Cc2ccnn21)NCc1ccco1 ZINC000247890083 464714071 /nfs/dbraw/zinc/71/40/71/464714071.db2.gz YKEQBPVPRZDOJD-OAHLLOKOSA-N 0 0 340.383 2.333 40 0 EEABRN CC(C)C(=O)N1Cc2nnn(C)c2[C@H](COCc2ccccc2)C1 ZINC000248018107 464723463 /nfs/dbraw/zinc/72/34/63/464723463.db2.gz DQISMAWIHOHMIX-HNNXBMFYSA-N 0 0 328.416 2.114 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccccc1)CN(C(=O)CC1CC1)C2 ZINC000248052406 464727322 /nfs/dbraw/zinc/72/73/22/464727322.db2.gz NSVQCGCVUYINPE-MRXNPFEDSA-N 0 0 340.427 2.258 40 0 EEABRN CCn1cc([C@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)cn1 ZINC000190831852 464727799 /nfs/dbraw/zinc/72/77/99/464727799.db2.gz LCSAEQAIUJMSKJ-QGZVFWFLSA-N 0 0 338.415 2.057 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@H](CCOc2ccccn2)CCO3)cn1 ZINC000248130458 464731955 /nfs/dbraw/zinc/73/19/55/464731955.db2.gz MYFXKCPSFNXKGH-MRXNPFEDSA-N 0 0 342.443 2.265 40 0 EEABRN Cn1ccnc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248138975 464733786 /nfs/dbraw/zinc/73/37/86/464733786.db2.gz PPKNSRQIXOFBHT-CKEIUWERSA-N 0 0 348.472 2.073 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000248762299 464798677 /nfs/dbraw/zinc/79/86/77/464798677.db2.gz QWXVIXLOIVNCJR-GUTXKFCHSA-N 0 0 330.432 2.027 40 0 EEABRN Cc1cc(C)nc(SCC(=O)N2CCO[C@@H](c3ccco3)C2)n1 ZINC000176727609 464834697 /nfs/dbraw/zinc/83/46/97/464834697.db2.gz VEZZPUHKXDNVQY-CQSZACIVSA-N 0 0 333.413 2.379 40 0 EEABRN Cc1ccc(NC(=O)C2CCN(CC(F)F)CC2)cc1C(N)=O ZINC000252480127 464960180 /nfs/dbraw/zinc/96/01/80/464960180.db2.gz BWGPIZAPFXVRRO-UHFFFAOYSA-N 0 0 325.359 2.010 40 0 EEABRN Cc1nc(C(=O)NC(C)(C)c2cccc(Cl)c2)nn1-c1nc[nH]n1 ZINC000252482916 464961949 /nfs/dbraw/zinc/96/19/49/464961949.db2.gz DQESNRPWAILCRE-UHFFFAOYSA-N 0 0 345.794 2.012 40 0 EEABRN C[C@@H](C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccccn1 ZINC000252497810 464969408 /nfs/dbraw/zinc/96/94/08/464969408.db2.gz QRFCXRFBERTXDQ-CXAGYDPISA-N 0 0 349.394 2.404 40 0 EEABRN C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@H]1CO)N(C)CC(F)(F)F ZINC000252550604 464982918 /nfs/dbraw/zinc/98/29/18/464982918.db2.gz SVFWLCDOJOZWEK-OSAQELSMSA-N 0 0 344.377 2.281 40 0 EEABRN COc1ccc(C2=NO[C@H](CNc3cc(C)nc4ncnn43)C2)cc1 ZINC000253398375 465002088 /nfs/dbraw/zinc/00/20/88/465002088.db2.gz SVKDRVOKMIFGIN-AWEZNQCLSA-N 0 0 338.371 2.046 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000253419807 465008005 /nfs/dbraw/zinc/00/80/05/465008005.db2.gz JAQLUWHKMDGQLF-INIZCTEOSA-N 0 0 342.447 2.318 40 0 EEABRN C[C@H](C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330780959 465802017 /nfs/dbraw/zinc/80/20/17/465802017.db2.gz FKJBTWACKOKINF-GHMZBOCLSA-N 0 0 347.839 2.446 40 0 EEABRN CCN(Cc1c[nH]c2ccccc12)C(=O)C1CCS(=O)(=O)CC1 ZINC000331987815 466335425 /nfs/dbraw/zinc/33/54/25/466335425.db2.gz DIWOZVSCNAQSBB-UHFFFAOYSA-N 0 0 334.441 2.341 40 0 EEABRN Cn1cc(-c2cnc3n2C[C@@]2(CCN(C(=O)C(C)(C)C)C2)C3)cn1 ZINC000306126930 466489718 /nfs/dbraw/zinc/48/97/18/466489718.db2.gz FJIMWSOSNJTMRM-SFHVURJKSA-N 0 0 327.432 2.105 40 0 EEABRN O=C(C1CC1)N1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1cccs1 ZINC000306142232 466493061 /nfs/dbraw/zinc/49/30/61/466493061.db2.gz WUEJNNSYTZTEEN-JKSUJKDBSA-N 0 0 341.436 2.368 40 0 EEABRN CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@](O)(c2ccc(F)cc2)C1 ZINC000408563932 466681417 /nfs/dbraw/zinc/68/14/17/466681417.db2.gz SGUDJTTYJYIWMW-SJLPKXTDSA-N 0 0 328.343 2.313 40 0 EEABRN Cc1ccc(I)cc1NC(=O)NCCCCO ZINC000390833142 467414029 /nfs/dbraw/zinc/41/40/29/467414029.db2.gz CSZXBMXNXNBULH-UHFFFAOYSA-N 0 0 348.184 2.494 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)C4(F)CC4)C3)C2)n1 ZINC000575402599 468140659 /nfs/dbraw/zinc/14/06/59/468140659.db2.gz CHYHANNNOLICKR-OAHLLOKOSA-N 0 0 334.391 2.169 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 ZINC000575405439 468141899 /nfs/dbraw/zinc/14/18/99/468141899.db2.gz HZLHNIQXRDYIGQ-VHDGCEQUSA-N 0 0 329.375 2.468 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)CC[C@H](CN1CCCCC1=O)CO2 ZINC000575406610 468142651 /nfs/dbraw/zinc/14/26/51/468142651.db2.gz PXYYWRSWAFMSLI-OAHLLOKOSA-N 0 0 346.427 2.222 40 0 EEABRN Cc1nc2ccc(NC(=S)N[C@H]3CCS(=O)(=O)C3)cc2s1 ZINC000575422620 468143721 /nfs/dbraw/zinc/14/37/21/468143721.db2.gz NSMJSIIDOJHTRM-JTQLQIEISA-N 0 0 341.483 2.078 40 0 EEABRN COc1ccccc1OCC(=O)N1CCC(c2ccn(C)n2)CC1 ZINC000575607336 468146654 /nfs/dbraw/zinc/14/66/54/468146654.db2.gz NHGMRNVRPLMDFT-UHFFFAOYSA-N 0 0 329.400 2.214 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@H]2C ZINC000585097424 468965925 /nfs/dbraw/zinc/96/59/25/468965925.db2.gz LNNTXXXVGVGBIC-AWEZNQCLSA-N 0 0 328.416 2.269 40 0 EEABRN Cc1ccccc1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 ZINC000585098077 468966877 /nfs/dbraw/zinc/96/68/77/468966877.db2.gz TVTHJHHMYBGQLV-SFHVURJKSA-N 0 0 338.455 2.492 40 0 EEABRN CC(C)OC(=O)NC[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1 ZINC000585101132 468969121 /nfs/dbraw/zinc/96/91/21/468969121.db2.gz HEGQEZLJRHCAAF-HNNXBMFYSA-N 0 0 348.447 2.377 40 0 EEABRN CC(C)OC(=O)NC[C@H]1CCC2(CCN(c3ccncn3)CC2)CO1 ZINC000585101077 468969358 /nfs/dbraw/zinc/96/93/58/468969358.db2.gz BPWFCSSFEIEMIV-OAHLLOKOSA-N 0 0 348.447 2.377 40 0 EEABRN Cc1csc([C@H]2C[C@H]3CN(C(=O)CCc4cncnc4)C[C@H]3O2)n1 ZINC000585110181 468973986 /nfs/dbraw/zinc/97/39/86/468973986.db2.gz SOUPABIPICILLF-RRFJBIMHSA-N 0 0 344.440 2.163 40 0 EEABRN CNc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)n1 ZINC000585276213 469000425 /nfs/dbraw/zinc/00/04/25/469000425.db2.gz LEOBQMOUQWFJFA-IRXDYDNUSA-N 0 0 343.402 2.471 40 0 EEABRN Cc1cccc(CC(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)n1 ZINC000585277466 469001888 /nfs/dbraw/zinc/00/18/88/469001888.db2.gz VDGVMPBVSKKRBY-IBGZPJMESA-N 0 0 344.386 2.114 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCN(C(=O)CC3(O)CCCCC3)C2)c1 ZINC000585277009 469001982 /nfs/dbraw/zinc/00/19/82/469001982.db2.gz RICAYVWRVJCZIM-FQEVSTJZSA-N 0 0 347.455 2.423 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585278258 469003536 /nfs/dbraw/zinc/00/35/36/469003536.db2.gz ANOJFCMONHWPDI-AEFFLSMTSA-N 0 0 345.418 2.324 40 0 EEABRN Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585284472 469007159 /nfs/dbraw/zinc/00/71/59/469007159.db2.gz IUZCXYIEWKWOHG-HFBAOOFYSA-N 0 0 349.818 2.320 40 0 EEABRN O=C(CCn1cccc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285107 469008233 /nfs/dbraw/zinc/00/82/33/469008233.db2.gz MNVNXNWDMBAJEX-LSBZLQRGSA-N 0 0 346.402 2.352 40 0 EEABRN C=CC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000585292721 469012032 /nfs/dbraw/zinc/01/20/32/469012032.db2.gz RTLWHZGSJLIMIZ-CQSZACIVSA-N 0 0 338.415 2.437 40 0 EEABRN CC(C)(C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000242976523 485536166 /nfs/dbraw/zinc/53/61/66/485536166.db2.gz HQBZGEGJCLFOCY-UHFFFAOYSA-N 0 0 336.816 2.160 40 0 EEABRN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@@H]1COc2ccccc2O1 ZINC000390827163 485668424 /nfs/dbraw/zinc/66/84/24/485668424.db2.gz FHEHGYKZOALOLH-YOEHRIQHSA-N 0 0 343.383 2.231 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000135495800 533749273 /nfs/dbraw/zinc/74/92/73/533749273.db2.gz TUZJEMULLWGUGI-NVXWUHKLSA-N 0 0 332.444 2.191 40 0 EEABRN CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3Cl)[C@@H]2C1 ZINC000257227018 534322374 /nfs/dbraw/zinc/32/23/74/534322374.db2.gz FNGWPQPYVIUNCT-GUTXKFCHSA-N 0 0 336.819 2.092 40 0 EEABRN O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000181125835 534655705 /nfs/dbraw/zinc/65/57/05/534655705.db2.gz NGPZRMVERJQOIT-CABCVRRESA-N 0 0 348.447 2.375 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000153426826 534790006 /nfs/dbraw/zinc/79/00/06/534790006.db2.gz FJRNYRCTIBMRKY-MSOLQXFVSA-N 0 0 339.439 2.168 40 0 EEABRN CC(=O)c1ccc(N2CCN(Cc3cccc(F)c3)C(=O)C2)nc1 ZINC000181197864 527289432 /nfs/dbraw/zinc/28/94/32/527289432.db2.gz NFAUGQJXEPOXTM-UHFFFAOYSA-N 0 0 327.359 2.272 40 0 EEABRN CC(C)COc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 ZINC000408707825 528155751 /nfs/dbraw/zinc/15/57/51/528155751.db2.gz FMSSMTLWAJZODB-UHFFFAOYSA-N 0 0 327.384 2.371 40 0 EEABRN CCCCNC(=O)c1ccc(OCC)c(S(=O)(=O)NC(C)C)c1 ZINC000408700578 528551745 /nfs/dbraw/zinc/55/17/45/528551745.db2.gz IENILGNWVYOGLI-UHFFFAOYSA-N 0 0 342.461 2.302 40 0 EEABRN CCOC(=O)C1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000181851779 528637669 /nfs/dbraw/zinc/63/76/69/528637669.db2.gz HBQNFPIJYZWWAV-CYBMUJFWSA-N 0 0 326.437 2.317 40 0 EEABRN CCN(C(=O)N[C@@H](C)Cc1ccsc1)[C@H](C)CS(C)(=O)=O ZINC000079036224 529007399 /nfs/dbraw/zinc/00/73/99/529007399.db2.gz FSGZSPPEYSLSIT-NWDGAFQWSA-N 0 0 332.491 2.144 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)ccn1 ZINC000257268751 536144767 /nfs/dbraw/zinc/14/47/67/536144767.db2.gz MMZZAUFFAVZLLS-OAHLLOKOSA-N 0 0 346.456 2.111 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000257208575 536421524 /nfs/dbraw/zinc/42/15/24/536421524.db2.gz BMSMFNSLOCDJTL-CQSZACIVSA-N 0 0 340.431 2.102 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cccnc3)CC2)cn1 ZINC000257273312 536421559 /nfs/dbraw/zinc/42/15/59/536421559.db2.gz NGBSERGVCIXEIK-AWEZNQCLSA-N 0 0 325.416 2.398 40 0 EEABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225671902 536481314 /nfs/dbraw/zinc/48/13/14/536481314.db2.gz GVNZUSNPRXDMCI-UHFFFAOYSA-N 0 0 348.449 2.421 40 0 EEABRN COc1ccc(C[C@@H]2COCCN(C(=O)C3CCOCC3)C2)cc1 ZINC000257230281 536511704 /nfs/dbraw/zinc/51/17/04/536511704.db2.gz GBOOKAPRRJGKQA-INIZCTEOSA-N 0 0 333.428 2.139 40 0 EEABRN OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nncs2)CC1 ZINC000929626431 1297097933 /nfs/dbraw/zinc/09/79/33/1297097933.db2.gz MKWUVLPQLFVISC-AWEZNQCLSA-N 0 0 338.864 2.043 40 0 EEABRN O=C(NC(=S)NNC(=S)Nc1ccccc1)c1ccccc1 ZINC000006392734 1351793775 /nfs/dbraw/zinc/79/37/75/1351793775.db2.gz XTHKBEGILKDCIY-UHFFFAOYSA-N 0 0 330.438 2.193 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 ZINC000071761108 1354192676 /nfs/dbraw/zinc/19/26/76/1354192676.db2.gz PLESDISSNCNIME-UHFFFAOYSA-N 0 0 343.380 2.421 40 0 EEABRN CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(F)cc2)COS1(=O)=O ZINC000309800958 1409808509 /nfs/dbraw/zinc/80/85/09/1409808509.db2.gz JXWSOQFURILZQQ-LBPRGKRZSA-N 0 0 331.365 2.249 40 0 EEABRN COc1ncccc1CN1CC[C@H]2O[C@H](c3nnc(C)o3)CC[C@H]21 ZINC000097953582 219065225 /nfs/dbraw/zinc/06/52/25/219065225.db2.gz FTGYJYZSWBHEEA-KFWWJZLASA-N 0 0 330.388 2.276 40 0 EEABRN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCO2)on1 ZINC000019122619 539329747 /nfs/dbraw/zinc/32/97/47/539329747.db2.gz SFQZVZUTHXKYRT-AWEZNQCLSA-N 0 0 329.404 2.043 40 0 EEABRN CN(CCOCC1CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093924197 529922257 /nfs/dbraw/zinc/92/22/57/529922257.db2.gz YQXIZRFESUKRJA-UHFFFAOYSA-N 0 0 343.836 2.263 40 0 EEABRN COc1cccc(NC(=O)Cn2cnc(-c3noc(C4CC4)n3)c2)c1 ZINC000065250235 214853848 /nfs/dbraw/zinc/85/38/48/214853848.db2.gz SFJQWRQSEJNAAX-UHFFFAOYSA-N 0 0 339.355 2.458 40 0 EEABRN O=S1(=O)C[C@H](Nc2cc(Cl)c(Cl)cc2Cl)[C@H](O)C1 ZINC000004158582 210133508 /nfs/dbraw/zinc/13/35/08/210133508.db2.gz JJOFITCCYBUALK-VHSXEESVSA-N 0 0 330.620 2.217 40 0 EEABRN COc1c(OC[C@H](O)C(C)(C)O)ccc2c1N=C1OC=C[C@@H]1[C@@H]2OC ZINC000103910581 219328264 /nfs/dbraw/zinc/32/82/64/219328264.db2.gz RMDGFVXKNRIXEW-OSAQELSMSA-N 0 0 349.383 2.097 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000038666486 213219181 /nfs/dbraw/zinc/21/91/81/213219181.db2.gz RMPJXMXRLUDWEA-SNVBAGLBSA-N 0 0 327.431 2.327 40 0 EEABRN COc1cc(NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)ncn1 ZINC000184025386 235288252 /nfs/dbraw/zinc/28/82/52/235288252.db2.gz VTUUDBQKVPFRCV-GFCCVEGCSA-N 0 0 347.444 2.457 40 0 EEABRN COc1cc(C)c(S(=O)(=O)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000069885826 215618682 /nfs/dbraw/zinc/61/86/82/215618682.db2.gz CATMHCGKZXAXLE-NSHDSACASA-N 0 0 343.445 2.089 40 0 EEABRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000187070948 236109574 /nfs/dbraw/zinc/10/95/74/236109574.db2.gz WQEXICNFDAZYTP-NHYWBVRUSA-N 0 0 347.802 2.036 40 0 EEABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000035291155 213017973 /nfs/dbraw/zinc/01/79/73/213017973.db2.gz STRJDISFPCJPSD-UHFFFAOYSA-N 0 0 336.395 2.272 40 0 EEABRN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCc2cc(Cl)ccc2C1 ZINC000189851308 237314791 /nfs/dbraw/zinc/31/47/91/237314791.db2.gz PYCBLKKWXXGBTK-LBPRGKRZSA-N 0 0 347.846 2.419 40 0 EEABRN Cc1cccc(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)c1 ZINC000072238936 216077721 /nfs/dbraw/zinc/07/77/21/216077721.db2.gz BHOZROPFHVHEDD-UHFFFAOYSA-N 0 0 328.397 2.054 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1cccs1 ZINC000072238146 216077755 /nfs/dbraw/zinc/07/77/55/216077755.db2.gz POXUHOBISIALCF-CZUORRHYSA-N 0 0 329.425 2.369 40 0 EEABRN COc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000072237914 216076050 /nfs/dbraw/zinc/07/60/50/216076050.db2.gz VGFYNYFMRUCJJJ-ROUUACIJSA-N 0 0 340.379 2.232 40 0 EEABRN Cc1ccccc1CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237901 216076404 /nfs/dbraw/zinc/07/64/04/216076404.db2.gz SDNGXJZXGUZKGB-MOPGFXCFSA-N 0 0 338.407 2.210 40 0 EEABRN O=S(=O)(c1cnn(-c2ccccn2)c1)N1CCc2ccccc2C1 ZINC000072239011 216077421 /nfs/dbraw/zinc/07/74/21/216077421.db2.gz MVNVEFKIPXKPPD-UHFFFAOYSA-N 0 0 340.408 2.014 40 0 EEABRN COc1cc(CO)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000036815422 213120414 /nfs/dbraw/zinc/12/04/14/213120414.db2.gz UTCPJHLEZYYXEI-UHFFFAOYSA-N 0 0 346.221 2.244 40 0 EEABRN Cc1c(CNS(=O)(=O)c2cccc(COC(C)C)c2)cnn1C ZINC000072264791 216086415 /nfs/dbraw/zinc/08/64/15/216086415.db2.gz TUZFJMSWMYXTOY-UHFFFAOYSA-N 0 0 337.445 2.132 40 0 EEABRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)CC1 ZINC000072335498 216157667 /nfs/dbraw/zinc/15/76/67/216157667.db2.gz JSQMPPYVYGNCSD-UHFFFAOYSA-N 0 0 339.443 2.372 40 0 EEABRN COc1ccc(C(=O)N2CCC(O)(c3cccnc3F)CC2)cc1 ZINC000072340008 216158431 /nfs/dbraw/zinc/15/84/31/216158431.db2.gz DFWPSCYLIZXMND-UHFFFAOYSA-N 0 0 330.359 2.353 40 0 EEABRN CCNC(=O)NCCN1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000072352954 216162330 /nfs/dbraw/zinc/16/23/30/216162330.db2.gz VBKJSKQKBAHVAV-UHFFFAOYSA-N 0 0 347.394 2.235 40 0 EEABRN NC(=O)CN1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361819 216169176 /nfs/dbraw/zinc/16/91/76/216169176.db2.gz ILMNLMFRXXXLQR-LBPRGKRZSA-N 0 0 330.363 2.073 40 0 EEABRN NC(=O)CN1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361818 216168654 /nfs/dbraw/zinc/16/86/54/216168654.db2.gz ILMNLMFRXXXLQR-GFCCVEGCSA-N 0 0 330.363 2.073 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000072375996 216178784 /nfs/dbraw/zinc/17/87/84/216178784.db2.gz LDVXIVJEGQTYLM-LBPRGKRZSA-N 0 0 347.444 2.338 40 0 EEABRN Cc1nc2c(s1)[C@H](N(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000072631422 216285955 /nfs/dbraw/zinc/28/59/55/216285955.db2.gz XNMDNPYSVSBZSS-TYNCELHUSA-N 0 0 337.489 2.397 40 0 EEABRN Cc1ccc2c(CN3CCN(Cc4ccon4)CC3)cc(=O)oc2c1 ZINC000072723115 216299920 /nfs/dbraw/zinc/29/99/20/216299920.db2.gz IMSIPYDXIMZUOR-UHFFFAOYSA-N 0 0 339.395 2.407 40 0 EEABRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)Cc1ccon1 ZINC000072720672 216300040 /nfs/dbraw/zinc/30/00/40/216300040.db2.gz YTVWRHFISXEJCR-UHFFFAOYSA-N 0 0 341.336 2.112 40 0 EEABRN Cn1cccc1[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000075155128 216586408 /nfs/dbraw/zinc/58/64/08/216586408.db2.gz HDWVKTCNWPVQLL-CYBMUJFWSA-N 0 0 348.346 2.056 40 0 EEABRN CCN(CC)CC[NH2+][C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000022466372 212300038 /nfs/dbraw/zinc/30/00/38/212300038.db2.gz VFCICZRCXXDCFD-CQSZACIVSA-N 0 0 341.839 2.053 40 0 EEABRN Cn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2cc(F)ccc21 ZINC000022236367 212283455 /nfs/dbraw/zinc/28/34/55/212283455.db2.gz AFJKKPBVEZDKBO-UHFFFAOYSA-N 0 0 339.326 2.029 40 0 EEABRN Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000195574220 241020128 /nfs/dbraw/zinc/02/01/28/241020128.db2.gz DPUCRYONHWLMKA-OAHLLOKOSA-N 0 0 326.400 2.130 40 0 EEABRN C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOCC(F)F)C1=O ZINC000195576599 241022382 /nfs/dbraw/zinc/02/23/82/241022382.db2.gz CYHAXGZVLYHWHH-CQSZACIVSA-N 0 0 334.269 2.014 40 0 EEABRN Nc1c(NCc2ccccc2-n2ccnc2)ncnc1-n1cccn1 ZINC000195575638 241023192 /nfs/dbraw/zinc/02/31/92/241023192.db2.gz GHPXXPOIVTVVFC-UHFFFAOYSA-N 0 0 332.371 2.042 40 0 EEABRN O=C1C(Br)=C(Br)CN1Cc1cccnc1 ZINC000217580561 241261527 /nfs/dbraw/zinc/26/15/27/241261527.db2.gz CNGAPEMPEAHVBL-UHFFFAOYSA-N 0 0 331.995 2.425 40 0 EEABRN CCC(=O)N1CCCN(Cc2nc(CCc3ccccc3)no2)CC1 ZINC000075643762 216649216 /nfs/dbraw/zinc/64/92/16/216649216.db2.gz HEZJOUHJZPATFH-UHFFFAOYSA-N 0 0 342.443 2.299 40 0 EEABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C ZINC000223573094 241667054 /nfs/dbraw/zinc/66/70/54/241667054.db2.gz ATTVRGIWZCHJQW-HOTGVXAUSA-N 0 0 330.457 2.002 40 0 EEABRN CCN(CC)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223747393 241687909 /nfs/dbraw/zinc/68/79/09/241687909.db2.gz MQZRHBSMPXVBHY-UHFFFAOYSA-N 0 0 342.461 2.110 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@@H]2C)n1 ZINC000225878128 242068071 /nfs/dbraw/zinc/06/80/71/242068071.db2.gz IZIGCZRHQCMQPB-LBPRGKRZSA-N 0 0 334.493 2.372 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)c1 ZINC000225928756 242076669 /nfs/dbraw/zinc/07/66/69/242076669.db2.gz VZFCTMNXVGVDGW-UHFFFAOYSA-N 0 0 326.462 2.086 40 0 EEABRN CCOc1cc(C(=O)Nc2ccc3c(c2)c(OCC)nn3C)nn1C ZINC000227166704 242127615 /nfs/dbraw/zinc/12/76/15/242127615.db2.gz JLOKBRFOAQMAHB-UHFFFAOYSA-N 0 0 343.387 2.357 40 0 EEABRN COc1cc(CNC(=O)[C@@](C)(O)CCc2ccccc2)ccc1O ZINC000242263403 243015593 /nfs/dbraw/zinc/01/55/93/243015593.db2.gz XYXAUTQBRQFPTG-IBGZPJMESA-N 0 0 329.396 2.401 40 0 EEABRN COCCCN1CN=C(Nc2nc(C)c3cc(C)c(C)cc3n2)NC1 ZINC000020634289 212158478 /nfs/dbraw/zinc/15/84/78/212158478.db2.gz RGYIDAOAHOIXPY-UHFFFAOYSA-N 0 0 342.447 2.180 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@H]2CCOCC1CCOCC1 ZINC000247957507 243491418 /nfs/dbraw/zinc/49/14/18/243491418.db2.gz VZHQQBZDUYYWAC-GOSISDBHSA-N 0 0 349.471 2.403 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000247853473 243465383 /nfs/dbraw/zinc/46/53/83/243465383.db2.gz JOVUDDWTRQSXMG-CQSZACIVSA-N 0 0 327.409 2.256 40 0 EEABRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cscn1 ZINC000252490996 243799057 /nfs/dbraw/zinc/79/90/57/243799057.db2.gz LHRKACHQGDYDLB-AWEZNQCLSA-N 0 0 331.397 2.313 40 0 EEABRN Cc1ccsc1CN1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 ZINC000253598675 244030831 /nfs/dbraw/zinc/03/08/31/244030831.db2.gz FVWOMCXGOOGIOB-OAHLLOKOSA-N 0 0 330.457 2.432 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)NC[C@H]2CC=CCC2)ccc1F ZINC000076829064 216818980 /nfs/dbraw/zinc/81/89/80/216818980.db2.gz ZMSAUBJRZIBDBS-LBPRGKRZSA-N 0 0 326.393 2.419 40 0 EEABRN O=c1cc(C[C@@H]2COCCN(Cc3cc(F)ccc3F)C2)nc[nH]1 ZINC000257204459 244129439 /nfs/dbraw/zinc/12/94/39/244129439.db2.gz AURWMFHNYDPQTO-LBPRGKRZSA-N 0 0 335.354 2.152 40 0 EEABRN Cc1cc(C2CCN(C(=O)[C@H]3CCCOC3)CC2)nc2ccnn21 ZINC000257205975 244132044 /nfs/dbraw/zinc/13/20/44/244132044.db2.gz BBIVELHNPDMQRI-HNNXBMFYSA-N 0 0 328.416 2.170 40 0 EEABRN c1nc(CN2CCC[C@H](c3nccnc3Nc3cnccn3)C2)c[nH]1 ZINC000257200581 244118025 /nfs/dbraw/zinc/11/80/25/244118025.db2.gz ADWIPJFQDXIMTO-ZDUSSCGKSA-N 0 0 336.403 2.113 40 0 EEABRN CNc1nccnc1[C@H]1CN(CCCOc2ccccc2F)CCO1 ZINC000257200793 244118582 /nfs/dbraw/zinc/11/85/82/244118582.db2.gz AEXNZUSQBKGEDO-MRXNPFEDSA-N 0 0 346.406 2.500 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076951681 216827343 /nfs/dbraw/zinc/82/73/43/216827343.db2.gz ZSZZLKGGTYAELQ-BCDSMTJPSA-N 0 0 330.494 2.133 40 0 EEABRN CNc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)cn2nccc12 ZINC000257209829 244147912 /nfs/dbraw/zinc/14/79/12/244147912.db2.gz BSAYVXNPOYZJRZ-AWEZNQCLSA-N 0 0 336.399 2.186 40 0 EEABRN O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)C1CCC(F)(F)CC1 ZINC000257212685 244156443 /nfs/dbraw/zinc/15/64/43/244156443.db2.gz CENJURFKHHKJRH-MGPQQGTHSA-N 0 0 327.375 2.279 40 0 EEABRN CCn1nccc1-c1cc([C@H]2CCCCN2C(=O)COC)nc(C)n1 ZINC000257215960 244165901 /nfs/dbraw/zinc/16/59/01/244165901.db2.gz CSKZROGESNUEOF-MRXNPFEDSA-N 0 0 343.431 2.368 40 0 EEABRN Cn1ccc(C(=O)N2CCC[C@@H](c3ccc4sc(N)nc4n3)C2)n1 ZINC000257225442 244199124 /nfs/dbraw/zinc/19/91/24/244199124.db2.gz FGFCMAUZFXQWOV-SNVBAGLBSA-N 0 0 342.428 2.027 40 0 EEABRN CN(C)c1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 ZINC000257241822 244244052 /nfs/dbraw/zinc/24/40/52/244244052.db2.gz HZTNYEPPSDJQTR-KRWDZBQOSA-N 0 0 343.402 2.429 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccccn1 ZINC000257267322 244364275 /nfs/dbraw/zinc/36/42/75/244364275.db2.gz MGUDFNZWYHCNBZ-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Cc2nccnc2N)C1 ZINC000257260789 244348516 /nfs/dbraw/zinc/34/85/16/244348516.db2.gz LEISEPKXFIHSBL-CQSZACIVSA-N 0 0 343.431 2.078 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257264469 244356797 /nfs/dbraw/zinc/35/67/97/244356797.db2.gz LUNDAWGOGHYHMB-INIZCTEOSA-N 0 0 326.400 2.021 40 0 EEABRN Cc1nc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)co1 ZINC000257272548 244384280 /nfs/dbraw/zinc/38/42/80/244384280.db2.gz NCVUAKDEOMHNHE-SECBINFHSA-N 0 0 329.385 2.200 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 ZINC000257273926 244384949 /nfs/dbraw/zinc/38/49/49/244384949.db2.gz NIUHPOGSBWJZOD-ZDUSSCGKSA-N 0 0 337.379 2.465 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000257273799 244385099 /nfs/dbraw/zinc/38/50/99/244385099.db2.gz NIGCDNAEOBJSMW-CYBMUJFWSA-N 0 0 332.429 2.113 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000257273800 244386813 /nfs/dbraw/zinc/38/68/13/244386813.db2.gz NIGCDNAEOBJSMW-ZDUSSCGKSA-N 0 0 332.429 2.113 40 0 EEABRN O=C(c1cc2c(s1)CCC2)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257274964 244389612 /nfs/dbraw/zinc/38/96/12/244389612.db2.gz NNKQUUGYYFLEKD-KBPBESRZSA-N 0 0 331.441 2.272 40 0 EEABRN Cc1cccc(C[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC000257271975 244380022 /nfs/dbraw/zinc/38/00/22/244380022.db2.gz NANXIUXPUPWOGF-OAHLLOKOSA-N 0 0 325.412 2.184 40 0 EEABRN Cc1ccc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)s1 ZINC000257315578 244504714 /nfs/dbraw/zinc/50/47/14/244504714.db2.gz VCAGEEHJOGVVRN-QGZVFWFLSA-N 0 0 349.431 2.352 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cs1 ZINC000257330891 244549866 /nfs/dbraw/zinc/54/98/66/244549866.db2.gz XQLKRURNMBPQFE-HNNXBMFYSA-N 0 0 346.456 2.055 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257332549 244553701 /nfs/dbraw/zinc/55/37/01/244553701.db2.gz XXUMMTUKIQWSJS-RHSMWYFYSA-N 0 0 332.425 2.496 40 0 EEABRN CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C1CC1 ZINC000019520550 212037198 /nfs/dbraw/zinc/03/71/98/212037198.db2.gz BEXFLGUIZNNLJO-ZDUSSCGKSA-N 0 0 347.365 2.493 40 0 EEABRN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc2c1CCCC2 ZINC000077938152 217002666 /nfs/dbraw/zinc/00/26/66/217002666.db2.gz CQZVUBUJJGUQKM-PBHICJAKSA-N 0 0 330.428 2.171 40 0 EEABRN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077939525 217003873 /nfs/dbraw/zinc/00/38/73/217003873.db2.gz GBIHROAXDSVTJD-ZWNOBZJWSA-N 0 0 344.333 2.311 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000077929944 217000917 /nfs/dbraw/zinc/00/09/17/217000917.db2.gz UXCSMVIQSLSAJY-INIZCTEOSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1ccnc2ncnn21 ZINC000019293716 212013347 /nfs/dbraw/zinc/01/33/47/212013347.db2.gz MRPYJOHTCPHYRT-AWEZNQCLSA-N 0 0 325.347 2.170 40 0 EEABRN COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1 ZINC000019118110 212001059 /nfs/dbraw/zinc/00/10/59/212001059.db2.gz UXLNNCYCOANSGO-OAHLLOKOSA-N 0 0 343.383 2.242 40 0 EEABRN CC(=O)N1CCc2cc(NC(=O)c3cc4c([nH]c3=O)CCC4)ccc21 ZINC000019019226 211996917 /nfs/dbraw/zinc/99/69/17/211996917.db2.gz GQAWPWJCBGUYPF-UHFFFAOYSA-N 0 0 337.379 2.025 40 0 EEABRN CO[C@@H]1CCC[C@@H](OC(=O)CSc2nnnn2C2CCCC2)C1 ZINC000078442319 217053923 /nfs/dbraw/zinc/05/39/23/217053923.db2.gz LYGUPQWJHWDZRD-CHWSQXEVSA-N 0 0 340.449 2.381 40 0 EEABRN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC)C2)c(C)c1 ZINC000078498491 217063634 /nfs/dbraw/zinc/06/36/34/217063634.db2.gz VHZUCNYVBVOIMF-ZDUSSCGKSA-N 0 0 334.372 2.199 40 0 EEABRN CN(C)C(=O)COc1ccc(NC(=O)CCc2ccncc2)c(F)c1 ZINC000078505341 217064415 /nfs/dbraw/zinc/06/44/15/217064415.db2.gz CEGFIQWFJNISRU-UHFFFAOYSA-N 0 0 345.374 2.259 40 0 EEABRN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(C)cc1F ZINC000078517173 217067534 /nfs/dbraw/zinc/06/75/34/217067534.db2.gz ADHDBZWDQLKPDC-UHFFFAOYSA-N 0 0 325.409 2.005 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000078556380 217076580 /nfs/dbraw/zinc/07/65/80/217076580.db2.gz SFCNNTDLIGFPBH-RBSFLKMASA-N 0 0 339.457 2.101 40 0 EEABRN COc1ccsc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000078556969 217076952 /nfs/dbraw/zinc/07/69/52/217076952.db2.gz DINPWDARGVZQCC-TXEJJXNPSA-N 0 0 326.462 2.374 40 0 EEABRN CC(C)(C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000078986915 217165234 /nfs/dbraw/zinc/16/52/34/217165234.db2.gz RBDAXBKSDSMKEQ-LBPRGKRZSA-N 0 0 346.324 2.383 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000078988743 217166860 /nfs/dbraw/zinc/16/68/60/217166860.db2.gz ZQDSNOPUYZASBD-WCQYABFASA-N 0 0 329.404 2.116 40 0 EEABRN CN(C(=O)Cc1cccc(O)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000079028585 217177980 /nfs/dbraw/zinc/17/79/80/217177980.db2.gz LTUAWUFJNJBSAW-KRWDZBQOSA-N 0 0 342.370 2.338 40 0 EEABRN COc1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)nn1C ZINC000078999306 217170880 /nfs/dbraw/zinc/17/08/80/217170880.db2.gz FGQGKGFTOKAEPU-UHFFFAOYSA-N 0 0 348.834 2.353 40 0 EEABRN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1COCCO1 ZINC000079000909 217171509 /nfs/dbraw/zinc/17/15/09/217171509.db2.gz ZVIGPDDGSPCSSH-SFHVURJKSA-N 0 0 326.396 2.334 40 0 EEABRN Cc1ccccc1-c1nc(=O)[nH]cc1-c1nnnn1-c1ccccc1 ZINC000016363051 211897287 /nfs/dbraw/zinc/89/72/87/211897287.db2.gz MUPCYTPPABBXNL-UHFFFAOYSA-N 0 0 330.351 2.388 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000079116866 217197236 /nfs/dbraw/zinc/19/72/36/217197236.db2.gz FCLCMCHSKBMEJY-CQSZACIVSA-N 0 0 342.361 2.386 40 0 EEABRN O=C(NC[C@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000079309450 217205643 /nfs/dbraw/zinc/20/56/43/217205643.db2.gz UCASJYIWQOKFAI-GFCCVEGCSA-N 0 0 326.190 2.317 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)CC2CCCCC2)n1 ZINC000079334767 217209458 /nfs/dbraw/zinc/20/94/58/217209458.db2.gz QARZAMCAAGAONM-INIZCTEOSA-N 0 0 348.491 2.481 40 0 EEABRN O=C(CCNC(=O)Cc1c[nH]c2ccc(F)cc12)Nc1ccncc1 ZINC000079361704 217216258 /nfs/dbraw/zinc/21/62/58/217216258.db2.gz LNTNOFKROMMENO-UHFFFAOYSA-N 0 0 340.358 2.390 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC000096041649 296276195 /nfs/dbraw/zinc/27/61/95/296276195.db2.gz LWQQYYLMYJEYRS-GVDBMIGSSA-N 0 0 335.400 2.095 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000012337891 211350813 /nfs/dbraw/zinc/35/08/13/211350813.db2.gz ARBXJAWJVCBWIP-AWEZNQCLSA-N 0 0 327.384 2.058 40 0 EEABRN Cc1nonc1CC(=O)N1CCC(c2cc3ncccc3cn2)CC1 ZINC000012224168 211325426 /nfs/dbraw/zinc/32/54/26/211325426.db2.gz QSXVNKHWRWVEGF-UHFFFAOYSA-N 0 0 337.383 2.270 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1cc(F)ccc1F)CC2 ZINC000012183053 211312347 /nfs/dbraw/zinc/31/23/47/211312347.db2.gz SIAFVZBTVUPSOD-UHFFFAOYSA-N 0 0 346.381 2.207 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1cccnc1 ZINC000012223113 211324203 /nfs/dbraw/zinc/32/42/03/211324203.db2.gz IGBFWFGWYNUUGR-ZBFHGGJFSA-N 0 0 333.395 2.264 40 0 EEABRN O=C(Nc1c[nH]c2c(Cl)cccc2c1=O)N1CCn2cnnc2C1 ZINC000012144692 211304742 /nfs/dbraw/zinc/30/47/42/211304742.db2.gz XAAYKLLXEYZEAD-UHFFFAOYSA-N 0 0 344.762 2.233 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)N4CCC(C)CC4)nc(C)n23)o1 ZINC000012115494 211293667 /nfs/dbraw/zinc/29/36/67/211293667.db2.gz VNEAIXWCDWOZSJ-UHFFFAOYSA-N 0 0 342.399 2.118 40 0 EEABRN Cc1nn(CC(=O)N2CCCCCC2)c(=O)c2cc3ccsc3n21 ZINC000012114224 211293498 /nfs/dbraw/zinc/29/34/98/211293498.db2.gz XJPUIYUKUQZXNQ-UHFFFAOYSA-N 0 0 344.440 2.422 40 0 EEABRN Cc1cc2c(s1)c1cnn(CC(=O)N3CCCCC3)c(=O)c1n2C ZINC000012113484 211293227 /nfs/dbraw/zinc/29/32/27/211293227.db2.gz ADBCUXOIIKSGSB-UHFFFAOYSA-N 0 0 344.440 2.271 40 0 EEABRN O=C(CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)NCC1CC1 ZINC000012144519 211305238 /nfs/dbraw/zinc/30/52/38/211305238.db2.gz NPNQUXGBYFZYDT-RTHVDDQRSA-N 0 0 332.419 2.166 40 0 EEABRN CCOC(=O)Nc1c(C(=O)OCC)cnn1-c1nc(C)cc(C)n1 ZINC000010382199 211169319 /nfs/dbraw/zinc/16/93/19/211169319.db2.gz YMOJTFZMIMBQOW-UHFFFAOYSA-N 0 0 333.348 2.024 40 0 EEABRN O=C(CCC1CC1)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000095397576 218330305 /nfs/dbraw/zinc/33/03/05/218330305.db2.gz HTMOZPUJTACQKN-UHFFFAOYSA-N 0 0 330.428 2.317 40 0 EEABRN C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(Cn2ccccc2=O)c1 ZINC000095400307 218334932 /nfs/dbraw/zinc/33/49/32/218334932.db2.gz WVZSROJNBRCNAF-HUUCEWRRSA-N 0 0 343.427 2.425 40 0 EEABRN C[C@H](CS(C)(=O)=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000095406005 218341915 /nfs/dbraw/zinc/34/19/15/218341915.db2.gz QIEYWMUYTFVJQE-CYBMUJFWSA-N 0 0 341.448 2.288 40 0 EEABRN O=C(NCc1ncccc1F)N1CCO[C@H](Cc2ccccc2)C1 ZINC000095463900 218404110 /nfs/dbraw/zinc/40/41/10/218404110.db2.gz VXGRDDFIJQTJEZ-OAHLLOKOSA-N 0 0 329.375 2.374 40 0 EEABRN Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)c1 ZINC000096072584 218570798 /nfs/dbraw/zinc/57/07/98/218570798.db2.gz FOIMUPTXZUGUEJ-QAPCUYQASA-N 0 0 326.400 2.204 40 0 EEABRN Cc1cc(NC(=O)c2nnn(Cc3ccccc3)c2Cl)n(C)n1 ZINC000096183425 218646009 /nfs/dbraw/zinc/64/60/09/218646009.db2.gz QJOXJYUVPLRKKH-UHFFFAOYSA-N 0 0 330.779 2.274 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096206955 218681531 /nfs/dbraw/zinc/68/15/31/218681531.db2.gz RDOYZJLYVKAGFV-QAPCUYQASA-N 0 0 343.383 2.221 40 0 EEABRN Cc1cc(C(=O)N2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c(C)o1 ZINC000096219268 218694596 /nfs/dbraw/zinc/69/45/96/218694596.db2.gz QODZXOLASWTYBR-HNAYVOBHSA-N 0 0 346.427 2.283 40 0 EEABRN O=C(c1ccncc1F)N1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255255 218725028 /nfs/dbraw/zinc/72/50/28/218725028.db2.gz DKXPGRPPFRAQRU-UHFFFAOYSA-N 0 0 349.369 2.314 40 0 EEABRN CCc1ncnc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000096255037 218725107 /nfs/dbraw/zinc/72/51/07/218725107.db2.gz NFCUCPFNBVOGGX-UHFFFAOYSA-N 0 0 328.391 2.489 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@H](c1ccccc1)N1CCCCC1=O ZINC000096411705 218766664 /nfs/dbraw/zinc/76/66/64/218766664.db2.gz OIHWBYQSQPKECZ-SFHVURJKSA-N 0 0 349.394 2.422 40 0 EEABRN C[C@@H](NC(=O)/C=C/c1cccc(O)c1)C(=O)N1CCc2ccccc21 ZINC000133156471 533016598 /nfs/dbraw/zinc/01/65/98/533016598.db2.gz UWEGLPABDIZQLK-ATWMFIQVSA-N 0 0 336.391 2.499 40 0 EEABRN COc1ccccc1[C@H](NC(=O)Cc1nnc(C)o1)c1ccco1 ZINC000178665127 533018007 /nfs/dbraw/zinc/01/80/07/533018007.db2.gz CMSQIOXBEDPTKJ-KRWDZBQOSA-N 0 0 327.340 2.428 40 0 EEABRN COCCN1CC[C@]2(CCCN(C(=O)c3ccoc3C)CC2)C1=O ZINC000108527337 285060537 /nfs/dbraw/zinc/06/05/37/285060537.db2.gz BSTKFEBEIQOOJQ-GOSISDBHSA-N 0 0 334.416 2.079 40 0 EEABRN C[C@H](C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000096432215 218807949 /nfs/dbraw/zinc/80/79/49/218807949.db2.gz HUUOYOYCVHJFDM-CMPLNLGQSA-N 0 0 339.442 2.046 40 0 EEABRN CCn1cc(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)cn1 ZINC000096432733 218808453 /nfs/dbraw/zinc/80/84/53/218808453.db2.gz HNWLFLZRHZPWQE-LLVKDONJSA-N 0 0 341.371 2.453 40 0 EEABRN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F ZINC000096485241 218861362 /nfs/dbraw/zinc/86/13/62/218861362.db2.gz XRIJCHNSILFUAP-ZDUSSCGKSA-N 0 0 342.321 2.457 40 0 EEABRN CCSc1nnc(CNC(=O)Nc2cccc(C(C)=O)c2)n1C ZINC000005001687 210357731 /nfs/dbraw/zinc/35/77/31/210357731.db2.gz LNSJEBKGAIWEDN-UHFFFAOYSA-N 0 0 333.417 2.451 40 0 EEABRN COCCNC(=O)[C@H](OC(=O)c1cc2oc(C)cc2n1C)C(C)C ZINC000004967215 210342469 /nfs/dbraw/zinc/34/24/69/210342469.db2.gz AHSZXWLPXVIOCB-OAHLLOKOSA-N 0 0 336.388 2.024 40 0 EEABRN CN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1nccn1C ZINC000097236117 219002171 /nfs/dbraw/zinc/00/21/71/219002171.db2.gz WKWVMYGDKGIOEI-UHFFFAOYSA-N 0 0 342.428 2.156 40 0 EEABRN C[C@@H](NC(=O)N1CCC[C@H](OCCO)C1)c1cccc(F)c1F ZINC000186501621 533123926 /nfs/dbraw/zinc/12/39/26/533123926.db2.gz AXSSGWYRBGJDLG-NEPJUHHUSA-N 0 0 328.359 2.209 40 0 EEABRN CCn1cnnc1[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000271201565 256219022 /nfs/dbraw/zinc/21/90/22/256219022.db2.gz QJDBGOGTHSZLRP-SNVBAGLBSA-N 0 0 326.326 2.491 40 0 EEABRN Cc1ccc2[nH]c([C@H]3CCCN(S(=O)(=O)[C@@H]4CCOC4)C3)nc2c1 ZINC000273071068 256262712 /nfs/dbraw/zinc/26/27/12/256262712.db2.gz FQLBMCPHPADAKH-UONOGXRCSA-N 0 0 349.456 2.169 40 0 EEABRN COc1cccc(CC(=O)N[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000131233233 533447042 /nfs/dbraw/zinc/44/70/42/533447042.db2.gz RGPRCHMLSQCJNG-INIZCTEOSA-N 0 0 325.412 2.418 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000408706653 533480550 /nfs/dbraw/zinc/48/05/50/533480550.db2.gz BTOLAAVLWOPTAF-OAHLLOKOSA-N 0 0 340.423 2.274 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000187011568 533645379 /nfs/dbraw/zinc/64/53/79/533645379.db2.gz XASFRJLMXDOEHE-LBPRGKRZSA-N 0 0 344.502 2.460 40 0 EEABRN CCOC[C@H]1C[C@@]2(CO1)COCCN2C(=O)c1ccc(CC)cc1 ZINC000096078565 286181228 /nfs/dbraw/zinc/18/12/28/286181228.db2.gz ONTUHYJQAKRRHK-MJGOQNOKSA-N 0 0 333.428 2.286 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC000246566694 296863174 /nfs/dbraw/zinc/86/31/74/296863174.db2.gz LKYKWHNAFHHYNR-SZXPJGKVSA-N 0 0 330.428 2.232 40 0 EEABRN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000159146814 225156353 /nfs/dbraw/zinc/15/63/53/225156353.db2.gz YAAZTFHTLBPYEV-RISCZKNCSA-N 0 0 349.406 2.348 40 0 EEABRN Cn1ccnc1CN1CCOC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000285733446 274783118 /nfs/dbraw/zinc/78/31/18/274783118.db2.gz VIINJLWLFFNUKH-LLVKDONJSA-N 0 0 331.401 2.105 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291923507 275354116 /nfs/dbraw/zinc/35/41/16/275354116.db2.gz NNNZBTPSHLBMEO-UWVGGRQHSA-N 0 0 348.262 2.402 40 0 EEABRN CC(C)(C)C1=NN(CCC(N)=O)C(=O)c2cc3ccccc3n2C1 ZINC000012113634 275811243 /nfs/dbraw/zinc/81/12/43/275811243.db2.gz GUCWXOAAFKWYLK-UHFFFAOYSA-N 0 0 326.400 2.375 40 0 EEABRN COCCCN1Cc2cc3cc(OC)ccc3nc2O[C@H](C)C1=O ZINC000072346419 277498088 /nfs/dbraw/zinc/49/80/88/277498088.db2.gz CHIXHSUZMFPDPH-GFCCVEGCSA-N 0 0 330.384 2.389 40 0 EEABRN COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2ccncn2)cc1 ZINC000257322485 277929418 /nfs/dbraw/zinc/92/94/18/277929418.db2.gz WGDRVLFDKWTDDS-INIZCTEOSA-N 0 0 335.367 2.079 40 0 EEABRN CC(=O)[C@@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000013136999 278232464 /nfs/dbraw/zinc/23/24/64/278232464.db2.gz YGAIATAVOPJRDO-FOGDFJRCSA-N 0 0 336.697 2.150 40 0 EEABRN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000190933832 279023837 /nfs/dbraw/zinc/02/38/37/279023837.db2.gz SQOOLNWELOWOKU-ZIAGYGMSSA-N 0 0 343.431 2.099 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1Cn1c(=O)c3ccccc3nc1C2 ZINC000012086280 280214628 /nfs/dbraw/zinc/21/46/28/280214628.db2.gz CSCQZLAGHQJHLO-KGLIPLIRSA-N 0 0 346.390 2.021 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000096243386 288786634 /nfs/dbraw/zinc/78/66/34/288786634.db2.gz RLFDEXZOTZRVPR-RHSMWYFYSA-N 0 0 326.440 2.466 40 0 EEABRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CCC(C)C)C1 ZINC000096244488 293289834 /nfs/dbraw/zinc/28/98/34/293289834.db2.gz HXCIZJBIJNMTOI-LJQANCHMSA-N 0 0 346.475 2.288 40 0 EEABRN Cn1nnc2c1C[C@@H](C(=O)N1C[C@H]3CCC(=O)c4cccc1c43)CC2 ZINC000329780201 311701209 /nfs/dbraw/zinc/70/12/09/311701209.db2.gz RSCVZTYWNXGINL-NWDGAFQWSA-N 0 0 336.395 2.027 40 0 EEABRN Cn1nnc(COc2ccc3c(c2)OC2(CCCCC2)CC3=O)n1 ZINC000329816481 311703466 /nfs/dbraw/zinc/70/34/66/311703466.db2.gz FLFXNTBFTOCVJL-UHFFFAOYSA-N 0 0 328.372 2.457 40 0 EEABRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000332317714 311988564 /nfs/dbraw/zinc/98/85/64/311988564.db2.gz KQXDOWJYQJXXBY-IINYFYTJSA-N 0 0 347.806 2.172 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@H](O)[C@H]3C)cn2)n1 ZINC000332413371 312003728 /nfs/dbraw/zinc/00/37/28/312003728.db2.gz SMVJHOIFEMUNHW-HIFRSBDPSA-N 0 0 329.404 2.261 40 0 EEABRN Nc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1 ZINC000097375997 323322391 /nfs/dbraw/zinc/32/23/91/323322391.db2.gz RNKVVBVIKVFYTR-UHFFFAOYSA-N 0 0 340.832 2.417 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000191104178 323472417 /nfs/dbraw/zinc/47/24/17/323472417.db2.gz WMUTYQHOWYQFJY-RYUDHWBXSA-N 0 0 339.427 2.408 40 0 EEABRN CC[C@H](C(=O)[O-])[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000191427709 323473407 /nfs/dbraw/zinc/47/34/07/323473407.db2.gz UFXGGXXIZGJCOD-CQSZACIVSA-N 0 0 326.824 2.200 40 0 EEABRN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(=O)OC)cc1F ZINC000390833322 323545215 /nfs/dbraw/zinc/54/52/15/323545215.db2.gz GBAGBKGVXQYUMX-AWEZNQCLSA-N 0 0 337.347 2.170 40 0 EEABRN CC[C@H](C(=O)N1CCC(NC(=O)C2(O)CCC2)CC1)c1ccccc1 ZINC000184519925 464989231 /nfs/dbraw/zinc/98/92/31/464989231.db2.gz TVNQKCDMRVVBEE-KRWDZBQOSA-N 0 0 344.455 2.202 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccs1 ZINC000085467709 462549375 /nfs/dbraw/zinc/54/93/75/462549375.db2.gz UAZZWMHSBRXISU-CQSZACIVSA-N 0 0 347.415 2.254 40 0 EEABRN CCn1nc(C)cc1C(=O)Nc1nc2ccc(Br)cn2n1 ZINC000085746683 462558184 /nfs/dbraw/zinc/55/81/84/462558184.db2.gz HSNKPIIGZMZCPD-UHFFFAOYSA-N 0 0 349.192 2.269 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 ZINC000000413176 462559448 /nfs/dbraw/zinc/55/94/48/462559448.db2.gz IJNPLJLRFNZUPF-UHFFFAOYSA-N 0 0 348.428 2.068 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000000414087 462560080 /nfs/dbraw/zinc/56/00/80/462560080.db2.gz GJVHPHBKLYFZHR-CHWSQXEVSA-N 0 0 342.436 2.141 40 0 EEABRN CCOC(=O)c1ccc(S(=O)(=O)N(CC)c2ccncc2)cc1 ZINC000152646060 462562706 /nfs/dbraw/zinc/56/27/06/462562706.db2.gz FUBIYOYSWOIKBM-UHFFFAOYSA-N 0 0 334.397 2.474 40 0 EEABRN CCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000000558577 462570509 /nfs/dbraw/zinc/57/05/09/462570509.db2.gz GTZQBSXXEXVLMP-UHFFFAOYSA-N 0 0 325.459 2.339 40 0 EEABRN CC(=O)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000000569657 462571745 /nfs/dbraw/zinc/57/17/45/462571745.db2.gz SSCXCUSHRZIWJN-UHFFFAOYSA-N 0 0 339.376 2.320 40 0 EEABRN Cc1cc(C)c(OCC(=O)OCCNC(=O)c2ccncc2)c(C)c1 ZINC000002679824 462599350 /nfs/dbraw/zinc/59/93/50/462599350.db2.gz QVQFUMHKXYOMAP-UHFFFAOYSA-N 0 0 342.395 2.359 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)o1 ZINC000088272032 462621717 /nfs/dbraw/zinc/62/17/17/462621717.db2.gz DFGZXOISIWOFLB-LBPRGKRZSA-N 0 0 335.310 2.105 40 0 EEABRN CCOC(=O)c1cc(N2C[C@@H](C(=O)OCC)CC2=O)ccc1Cl ZINC000045953290 462634020 /nfs/dbraw/zinc/63/40/20/462634020.db2.gz MOWYXDWFZPXMLL-JTQLQIEISA-N 0 0 339.775 2.433 40 0 EEABRN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000088777614 462646435 /nfs/dbraw/zinc/64/64/35/462646435.db2.gz IILLRYSLCAHELN-SNVBAGLBSA-N 0 0 327.356 2.256 40 0 EEABRN CC(=O)OC[C@H]1O[C@@H](CC(=O)c2ccccc2)C=C[C@@H]1OC(C)=O ZINC000005518325 462661890 /nfs/dbraw/zinc/66/18/90/462661890.db2.gz FAAMMBOGNPMVTL-BPQIPLTHSA-N 0 0 332.352 2.078 40 0 EEABRN Cc1ccc(NC(=O)N2CC[C@@]3(CCOC3)C2)cc1S(C)(=O)=O ZINC000089306757 462663974 /nfs/dbraw/zinc/66/39/74/462663974.db2.gz SWLZEQOAVDFXKK-MRXNPFEDSA-N 0 0 338.429 2.043 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1Cl ZINC000005969231 462674153 /nfs/dbraw/zinc/67/41/53/462674153.db2.gz KIWRRIWHSZAOKL-QLFBSQMISA-N 0 0 335.835 2.376 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)cs1 ZINC000006681661 462697331 /nfs/dbraw/zinc/69/73/31/462697331.db2.gz OPKAFHOBWCAWER-UHFFFAOYSA-N 0 0 330.475 2.499 40 0 EEABRN O=C(CSc1ncccc1Br)N[C@H]1CCSC1=O ZINC000089690190 462708868 /nfs/dbraw/zinc/70/88/68/462708868.db2.gz PAKYMLRTDSKROO-QMMMGPOBSA-N 0 0 347.259 2.085 40 0 EEABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000007070305 462720521 /nfs/dbraw/zinc/72/05/21/462720521.db2.gz YBCGIHVTHBEBEY-OLZOCXBDSA-N 0 0 342.461 2.057 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N3CCOC[C@H]3C3CC3)nc12 ZINC000089903861 462738668 /nfs/dbraw/zinc/73/86/68/462738668.db2.gz CQLVURPAADGTIR-INIZCTEOSA-N 0 0 328.416 2.006 40 0 EEABRN Cc1ccc(N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000008040583 462763456 /nfs/dbraw/zinc/76/34/56/462763456.db2.gz KMUCZBCWVDDHPV-UHFFFAOYSA-N 0 0 326.462 2.456 40 0 EEABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000008116175 462766834 /nfs/dbraw/zinc/76/68/34/462766834.db2.gz AVIYWWNPZSNVSD-GXDHUFHOSA-N 0 0 346.408 2.354 40 0 EEABRN CCSc1ncccc1C(=O)N[C@H](CCSC)C(=O)OC ZINC000008195690 462773206 /nfs/dbraw/zinc/77/32/06/462773206.db2.gz XDXPMSKLJTXFIO-LLVKDONJSA-N 0 0 328.459 2.218 40 0 EEABRN COC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000010333533 462817722 /nfs/dbraw/zinc/81/77/22/462817722.db2.gz DZVHQPDNCAGTKH-UHFFFAOYSA-N 0 0 348.380 2.097 40 0 EEABRN CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076499707 462869459 /nfs/dbraw/zinc/86/94/59/462869459.db2.gz LFMJOCJJUBPRGV-GJZGRUSLSA-N 0 0 327.421 2.182 40 0 EEABRN CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000013581313 462896051 /nfs/dbraw/zinc/89/60/51/462896051.db2.gz DOPSFORQIMVVGL-LBPRGKRZSA-N 0 0 342.461 2.254 40 0 EEABRN CC[C@H](C(=O)N[C@@H](C)CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712931 462901148 /nfs/dbraw/zinc/90/11/48/462901148.db2.gz ZVCLCCSFVRGILZ-DZGCQCFKSA-N 0 0 326.462 2.454 40 0 EEABRN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000013717317 462902625 /nfs/dbraw/zinc/90/26/25/462902625.db2.gz YJTMRWZQQDCHKG-ZENOOKHLSA-N 0 0 326.396 2.368 40 0 EEABRN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)C(C)C ZINC000014608444 462929852 /nfs/dbraw/zinc/92/98/52/462929852.db2.gz PMMBPEGBHBIOJZ-UHFFFAOYSA-N 0 0 331.376 2.050 40 0 EEABRN Cn1cc([C@@]2(C)CN(c3nnc(C(F)(F)F)s3)CCO2)cn1 ZINC000155766423 462940217 /nfs/dbraw/zinc/94/02/17/462940217.db2.gz PYJCUODAUNUEAY-LLVKDONJSA-N 0 0 333.339 2.042 40 0 EEABRN COc1ccc(CN2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 ZINC000077266545 462961107 /nfs/dbraw/zinc/96/11/07/462961107.db2.gz FWZBJHQIKQDXGU-QGZVFWFLSA-N 0 0 338.411 2.217 40 0 biogenic,in-vitro EEABRN CN(C)c1ncc(C(=O)NCCCN2CCCc3ccccc32)cn1 ZINC000019585447 463019066 /nfs/dbraw/zinc/01/90/66/463019066.db2.gz QKRSINNSIQQARY-UHFFFAOYSA-N 0 0 339.443 2.115 40 0 EEABRN Cc1ccc(C(=O)N2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000020765879 463030747 /nfs/dbraw/zinc/03/07/47/463030747.db2.gz YAAQCUPNLUEBTF-UHFFFAOYSA-N 0 0 330.409 2.235 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)s1 ZINC000134848934 463087793 /nfs/dbraw/zinc/08/77/93/463087793.db2.gz BRUWAYXIEBPWLE-QWRGUYRKSA-N 0 0 332.853 2.125 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000024977609 463103324 /nfs/dbraw/zinc/10/33/24/463103324.db2.gz IAPIJDDOJZZZMN-UHFFFAOYSA-N 0 0 330.793 2.302 40 0 EEABRN CCOc1cc([C@@H](N)c2n[nH]c(-c3ccncc3)n2)ccc1OC ZINC000095534357 463107471 /nfs/dbraw/zinc/10/74/71/463107471.db2.gz HZBOCWAWNKSXTC-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN Cc1ccc(N2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)nn1 ZINC000096040688 463145605 /nfs/dbraw/zinc/14/56/05/463145605.db2.gz FUPVRGRKHLQRSF-DAYGRLMNSA-N 0 0 325.416 2.276 40 0 EEABRN O=C(c1cscn1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041792 463146407 /nfs/dbraw/zinc/14/64/07/463146407.db2.gz YXQADYAYACMCEK-ARFHVFGLSA-N 0 0 345.424 2.127 40 0 EEABRN CCOC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2c1cnn2C ZINC000096044617 463149051 /nfs/dbraw/zinc/14/90/51/463149051.db2.gz KCRQQGKHYIQUDX-CQSZACIVSA-N 0 0 349.456 2.053 40 0 EEABRN Cc1nnc(N2CCC[C@]3(CN(Cc4ccsc4)CCO3)C2)o1 ZINC000096049191 463153711 /nfs/dbraw/zinc/15/37/11/463153711.db2.gz DQTWMSYNJGGWIE-INIZCTEOSA-N 0 0 334.445 2.311 40 0 EEABRN CCn1cc2c(n1)CN(Cc1cnn(C)c1)C[C@H]2COCC1CC1 ZINC000096060423 463159269 /nfs/dbraw/zinc/15/92/69/463159269.db2.gz WIUAJLOMIQFNHS-INIZCTEOSA-N 0 0 329.448 2.163 40 0 EEABRN CC(C)NC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccccc3)=NO2)C1 ZINC000096074410 463167823 /nfs/dbraw/zinc/16/78/23/463167823.db2.gz NXRYPVWDLKBIHF-SFHVURJKSA-N 0 0 344.415 2.354 40 0 EEABRN O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)[C@@H]2C1 ZINC000096080547 463169475 /nfs/dbraw/zinc/16/94/75/463169475.db2.gz FGSKFNJEBBUUNV-PKOBYXMFSA-N 0 0 337.423 2.063 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)on1 ZINC000096109991 463178512 /nfs/dbraw/zinc/17/85/12/463178512.db2.gz HSIMSNNVZLOMLP-LBPRGKRZSA-N 0 0 332.360 2.201 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NC2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000096181712 463194298 /nfs/dbraw/zinc/19/42/98/463194298.db2.gz VWDAETNZTAAJTD-IRXDYDNUSA-N 0 0 334.391 2.173 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC000096192815 463201365 /nfs/dbraw/zinc/20/13/65/463201365.db2.gz IIWDXNOPUXDFJS-LXIYXOSZSA-N 0 0 332.400 2.214 40 0 EEABRN CCCC(=O)N[C@H]1CCc2c(ccc(=O)n2Cc2csc(C)n2)C1 ZINC000096196605 463202143 /nfs/dbraw/zinc/20/21/43/463202143.db2.gz KRWCWNWVWOVZBG-AWEZNQCLSA-N 0 0 345.468 2.435 40 0 EEABRN O=C(c1cscn1)N1CCn2cc(CNc3ccccn3)nc2C1 ZINC000096197510 463202593 /nfs/dbraw/zinc/20/25/93/463202593.db2.gz HUUUUCUVHTTWFY-UHFFFAOYSA-N 0 0 340.412 2.003 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(C(=O)COc1ccccc1)C2 ZINC000096198067 463202762 /nfs/dbraw/zinc/20/27/62/463202762.db2.gz LOTWOSRXGRUJPT-HNNXBMFYSA-N 0 0 329.400 2.054 40 0 EEABRN CCn1ncc2c1[C@@H](COC)N(C(=O)COc1ccccc1)CC2 ZINC000096197813 463203683 /nfs/dbraw/zinc/20/36/83/463203683.db2.gz XSAKIUPLCDEVDF-MRXNPFEDSA-N 0 0 329.400 2.054 40 0 EEABRN COCCO[C@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccncc1 ZINC000096200760 463205577 /nfs/dbraw/zinc/20/55/77/463205577.db2.gz BJGJUCJFDDOCFU-IRXDYDNUSA-N 0 0 330.384 2.163 40 0 EEABRN Cc1csc(CN2CC[C@]3(C2)C[C@@H](Nc2ncccn2)CCO3)n1 ZINC000096206407 463207919 /nfs/dbraw/zinc/20/79/19/463207919.db2.gz BFBSAZWKQTUDCK-WMLDXEAASA-N 0 0 345.472 2.477 40 0 EEABRN O=C(c1ccc(F)c(F)c1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096205863 463208018 /nfs/dbraw/zinc/20/80/18/463208018.db2.gz FFDXUKJPPCFKOK-RDTXWAMCSA-N 0 0 337.366 2.480 40 0 EEABRN Cc1nnc([C@]23COC[C@H]2CN(C(=O)c2cc4ccccc4o2)C3)o1 ZINC000096206788 463208982 /nfs/dbraw/zinc/20/89/82/463208982.db2.gz JOJGWSHEXJMOJD-FZKQIMNGSA-N 0 0 339.351 2.164 40 0 EEABRN CCOCC(=O)N1CCC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC000096207342 463210523 /nfs/dbraw/zinc/21/05/23/463210523.db2.gz IZQIKPULVWJHAH-MJGOQNOKSA-N 0 0 348.443 2.093 40 0 EEABRN O=C(c1ccccc1F)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096208773 463212522 /nfs/dbraw/zinc/21/25/22/463212522.db2.gz HUAZSTBBXGRELB-KUHUBIRLSA-N 0 0 342.370 2.388 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)c2cccc3c2OCCO3)cs1 ZINC000096217589 463215620 /nfs/dbraw/zinc/21/56/20/463215620.db2.gz GJCSSUNIKFUJEM-CQSZACIVSA-N 0 0 346.408 2.436 40 0 EEABRN CC(C)NC(=O)C[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096221938 463218580 /nfs/dbraw/zinc/21/85/80/463218580.db2.gz BRJQUSXHQRFTAI-CQSZACIVSA-N 0 0 337.489 2.429 40 0 EEABRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227073 463222317 /nfs/dbraw/zinc/22/23/17/463222317.db2.gz RBAGRHCUMNZGRN-APWZRJJASA-N 0 0 342.443 2.062 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238801 463224235 /nfs/dbraw/zinc/22/42/35/463224235.db2.gz JBZVTCURTMWZLZ-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255480 463228409 /nfs/dbraw/zinc/22/84/09/463228409.db2.gz KRQOPUQNAHPHSB-UHFFFAOYSA-N 0 0 340.402 2.360 40 0 EEABRN Cc1nc(CN2CCCn3nnc(COCC4CC4)c3C2)cs1 ZINC000096258982 463230234 /nfs/dbraw/zinc/23/02/34/463230234.db2.gz KYTJNHDNUAMGQA-UHFFFAOYSA-N 0 0 333.461 2.376 40 0 EEABRN COCCn1cnc(-c2nc(C(=O)N3CCCC3)c3ccccn32)c1 ZINC000096266871 463231302 /nfs/dbraw/zinc/23/13/02/463231302.db2.gz MTWCENWGTWPQKN-UHFFFAOYSA-N 0 0 339.399 2.080 40 0 EEABRN O=C(CCC(F)(F)F)N[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000079639054 463236702 /nfs/dbraw/zinc/23/67/02/463236702.db2.gz YQFVCHIFXBPYJG-AWEZNQCLSA-N 0 0 344.333 2.045 40 0 EEABRN O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000096408069 463241593 /nfs/dbraw/zinc/24/15/93/463241593.db2.gz PKWIURQUUSQOGX-OAHLLOKOSA-N 0 0 338.411 2.003 40 0 EEABRN C[C@@H](NC(=O)NCC[S@@](C)=O)c1ccc(Br)cc1 ZINC000096408732 463241915 /nfs/dbraw/zinc/24/19/15/463241915.db2.gz AWXURSNKFUHPJW-LZVRBXCZSA-N 0 0 333.251 2.188 40 0 EEABRN CC(C)(C)[S@@](=O)CCNC(=O)NCCc1ccc(F)cc1F ZINC000096408910 463242525 /nfs/dbraw/zinc/24/25/25/463242525.db2.gz CHCDQZFBMSPIBO-JOCHJYFZSA-N 0 0 332.416 2.354 40 0 EEABRN CN(Cc1cnccn1)C(=O)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000096410607 463243461 /nfs/dbraw/zinc/24/34/61/463243461.db2.gz BYFADMHXCLETCD-UHFFFAOYSA-N 0 0 349.394 2.351 40 0 EEABRN Cc1nccn1CCCNC(=O)CCN1C(=O)CCc2ccccc21 ZINC000096414309 463247258 /nfs/dbraw/zinc/24/72/58/463247258.db2.gz MCKBWCRCYSHWRJ-UHFFFAOYSA-N 0 0 340.427 2.067 40 0 EEABRN COc1cccc(NC2CCN(C(=O)Cn3cc(C)cn3)CC2)c1 ZINC000096418486 463250617 /nfs/dbraw/zinc/25/06/17/463250617.db2.gz IDKPIZJMLGMHPD-UHFFFAOYSA-N 0 0 328.416 2.303 40 0 EEABRN CC(C)(CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000096420589 463251971 /nfs/dbraw/zinc/25/19/71/463251971.db2.gz LUMVMVSVDSZICR-UHFFFAOYSA-N 0 0 349.456 2.234 40 0 EEABRN COc1ccc(-c2nc(CNC(=O)CCCn3ccnc3)no2)cc1 ZINC000096421703 463252732 /nfs/dbraw/zinc/25/27/32/463252732.db2.gz XGOBCIIUCZCYGB-UHFFFAOYSA-N 0 0 341.371 2.038 40 0 EEABRN CC(=O)Nc1ccc(Br)cc1NCC(=O)NCC1CC1 ZINC000096427488 463256628 /nfs/dbraw/zinc/25/66/28/463256628.db2.gz YZSHOMZGCQPMRV-UHFFFAOYSA-N 0 0 340.221 2.346 40 0 EEABRN CCc1nnc(CNc2cccc(C(=O)N3CCSCC3)c2)o1 ZINC000096427556 463256881 /nfs/dbraw/zinc/25/68/81/463256881.db2.gz CSSCQTKNUWMJJA-UHFFFAOYSA-N 0 0 332.429 2.433 40 0 EEABRN Cc1nccc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)n1 ZINC000096429264 463259403 /nfs/dbraw/zinc/25/94/03/463259403.db2.gz PSJPPFINKFXOLE-UHFFFAOYSA-N 0 0 334.445 2.474 40 0 EEABRN C[C@@H](C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000096432216 463261240 /nfs/dbraw/zinc/26/12/40/463261240.db2.gz HUUOYOYCVHJFDM-ZYHUDNBSSA-N 0 0 339.442 2.046 40 0 EEABRN CCc1cnc(CCNC(=O)c2cc(-n3cccn3)ccn2)s1 ZINC000096431789 463261457 /nfs/dbraw/zinc/26/14/57/463261457.db2.gz IOBGFMFNKRHFKW-UHFFFAOYSA-N 0 0 327.413 2.259 40 0 EEABRN CSCc1cc(C(=O)N(C)CCN2CCOCC2)ccc1F ZINC000096445262 463269921 /nfs/dbraw/zinc/26/99/21/463269921.db2.gz SOWJSCWTVOUKES-UHFFFAOYSA-N 0 0 326.437 2.093 40 0 EEABRN CN(Cc1cccs1)C(=O)CNc1ccc(-n2cncn2)cc1 ZINC000096453327 463273935 /nfs/dbraw/zinc/27/39/35/463273935.db2.gz UGINKXZUVYXRQC-UHFFFAOYSA-N 0 0 327.413 2.399 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000096473388 463278789 /nfs/dbraw/zinc/27/87/89/463278789.db2.gz UZGXWVOABFDCDO-RYUDHWBXSA-N 0 0 333.392 2.221 40 0 EEABRN CC[C@@](O)(CNC(=O)CCOC)c1ccc(Br)cc1 ZINC000096473729 463279273 /nfs/dbraw/zinc/27/92/73/463279273.db2.gz DNMJJCPLMYIPKI-CQSZACIVSA-N 0 0 330.222 2.199 40 0 EEABRN COc1cccc(CCNC(=O)Cn2nccc2-c2ccncc2)c1 ZINC000096475717 463280341 /nfs/dbraw/zinc/28/03/41/463280341.db2.gz MOKINWFXWGZORB-UHFFFAOYSA-N 0 0 336.395 2.313 40 0 EEABRN Cc1cc(NCc2ccc([S@](C)=O)cc2)ccc1-n1cnnn1 ZINC000096482781 463281208 /nfs/dbraw/zinc/28/12/08/463281208.db2.gz MCGUJZIIJNEUNE-HSZRJFAPSA-N 0 0 327.413 2.320 40 0 EEABRN CCc1nnc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)n1C ZINC000096491260 463286153 /nfs/dbraw/zinc/28/61/53/463286153.db2.gz SPZIVDCORHUPDB-GFCCVEGCSA-N 0 0 329.404 2.185 40 0 EEABRN O=C(CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOCC1 ZINC000096491123 463286759 /nfs/dbraw/zinc/28/67/59/463286759.db2.gz BOXWRLJYKWZBOS-ZDUSSCGKSA-N 0 0 334.313 2.268 40 0 EEABRN CNC(=O)[C@@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccccc1 ZINC000096494599 463289426 /nfs/dbraw/zinc/28/94/26/463289426.db2.gz MOXKOZDFHHGPPB-SFHVURJKSA-N 0 0 348.406 2.154 40 0 EEABRN COc1ccc(C)cc1C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000096500468 463290415 /nfs/dbraw/zinc/29/04/15/463290415.db2.gz KSTQVQYWTIZYMN-OAQYLSRUSA-N 0 0 325.459 2.370 40 0 EEABRN O=C(NCC(F)(F)F)N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000096502666 463292538 /nfs/dbraw/zinc/29/25/38/463292538.db2.gz LGQRFFHALLWBSW-UHFFFAOYSA-N 0 0 336.745 2.125 40 0 EEABRN CC[C@@H](NS(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000055413754 463319417 /nfs/dbraw/zinc/31/94/17/463319417.db2.gz CBSGCFDRLBDQRZ-YYUOFMGYSA-N 0 0 342.505 2.148 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@](C)(CO)C2)c1 ZINC000097094639 463321889 /nfs/dbraw/zinc/32/18/89/463321889.db2.gz ZCAAYVYZEZNVNV-KRWDZBQOSA-N 0 0 325.474 2.253 40 0 EEABRN Cc1ccc(N2CCC(C(=O)N[C@@H](CO)c3ccccc3)CC2)nc1 ZINC000097232996 463351688 /nfs/dbraw/zinc/35/16/88/463351688.db2.gz DHEGCLQHWYAVDB-SFHVURJKSA-N 0 0 339.439 2.456 40 0 EEABRN CCC[C@H]1C[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000097236689 463352360 /nfs/dbraw/zinc/35/23/60/463352360.db2.gz SAGMDTGXELHOHJ-IRXDYDNUSA-N 0 0 349.475 2.177 40 0 EEABRN COc1cc(CCNC(=O)NC2Cc3ccccc3C2)ccc1O ZINC000097377493 463356345 /nfs/dbraw/zinc/35/63/45/463356345.db2.gz JJXKWJMMWHPOCZ-UHFFFAOYSA-N 0 0 326.396 2.410 40 0 EEABRN Cc1nc(N(C)C)sc1CN1CCN(Cc2ccncc2)CC1 ZINC000097376919 463357150 /nfs/dbraw/zinc/35/71/50/463357150.db2.gz VEXSAQQVVXKAII-UHFFFAOYSA-N 0 0 331.489 2.230 40 0 EEABRN CCCCCOC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000031924576 463359569 /nfs/dbraw/zinc/35/95/69/463359569.db2.gz BFAINSRQVZRALQ-UHFFFAOYSA-N 0 0 334.416 2.304 40 0 EEABRN CC(C)(C)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000071486501 463416373 /nfs/dbraw/zinc/41/63/73/463416373.db2.gz QLWBLNOSKRHYGR-UHFFFAOYSA-N 0 0 344.411 2.485 40 0 EEABRN CCOC(=O)Cc1nc(CNc2cccc(Br)c2)n[nH]1 ZINC000040175866 463453825 /nfs/dbraw/zinc/45/38/25/463453825.db2.gz LNTQOTSESBEGQQ-UHFFFAOYSA-N 0 0 339.193 2.285 40 0 EEABRN CC(C)Cc1noc([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000041122650 463468117 /nfs/dbraw/zinc/46/81/17/463468117.db2.gz RZQMKLYMLYDSHA-HNNXBMFYSA-N 0 0 345.447 2.340 40 0 EEABRN C[C@H](NC(=O)c1cc(NC(=O)c2ccco2)n(C)n1)c1ccncc1 ZINC000057279290 463474645 /nfs/dbraw/zinc/47/46/45/463474645.db2.gz BCFBDSJKVLDVOZ-NSHDSACASA-N 0 0 339.355 2.151 40 0 EEABRN Cc1cc2ncn(C[C@@H](O)CSc3cccc[n+]3[O-])c2cc1C ZINC000071948360 463476782 /nfs/dbraw/zinc/47/67/82/463476782.db2.gz RVIUNPPRFCBHCD-CQSZACIVSA-N 0 0 329.425 2.440 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000081701878 463480637 /nfs/dbraw/zinc/48/06/37/463480637.db2.gz GJBOKPLDPOCCBM-ZWKOTPCHSA-N 0 0 337.354 2.400 40 0 EEABRN NS(=O)(=O)c1cncc(Br)c1OCc1ccccc1 ZINC000072210831 463483071 /nfs/dbraw/zinc/48/30/71/463483071.db2.gz KJOUQEGPASLUAI-UHFFFAOYSA-N 0 0 343.202 2.071 40 0 EEABRN CCCOc1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)cc1OC ZINC000057841426 463524163 /nfs/dbraw/zinc/52/41/63/463524163.db2.gz HPAONAOXSCGIIF-UHFFFAOYSA-N 0 0 343.387 2.066 40 0 EEABRN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000058420833 463595973 /nfs/dbraw/zinc/59/59/73/463595973.db2.gz UZTQNFPMGNJGGL-UHFFFAOYSA-N 0 0 336.347 2.411 40 0 EEABRN O=C(c1cccs1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108531159 463609948 /nfs/dbraw/zinc/60/99/48/463609948.db2.gz BIDLCZMQSHNGNO-HOTGVXAUSA-N 0 0 343.452 2.259 40 0 EEABRN O=C(COc1ccccc1F)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257278965 463758658 /nfs/dbraw/zinc/75/86/58/463758658.db2.gz OEKPWRHFERPMFP-CYBMUJFWSA-N 0 0 345.374 2.205 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2cccs2)n1 ZINC000257283262 463761769 /nfs/dbraw/zinc/76/17/69/463761769.db2.gz OXMLMAMEGJUONB-INIZCTEOSA-N 0 0 344.440 2.080 40 0 EEABRN CC(=O)N1CCC2(CO[C@@H]([C@@]3(C)CC[C@H](O)C(C)(C)O3)C2)CC1 ZINC000257287742 463762487 /nfs/dbraw/zinc/76/24/87/463762487.db2.gz PRHUYPUZDCLOLC-ZMSDIMECSA-N 0 0 325.449 2.113 40 0 EEABRN Cc1ocnc1C(=O)N1C[C@@H]2[C@H](N(C)c3cnc(C)cn3)CC[C@@H]2C1 ZINC000257294113 463766398 /nfs/dbraw/zinc/76/63/98/463766398.db2.gz QSNGEGUJJKXAIK-QLFBSQMISA-N 0 0 341.415 2.068 40 0 EEABRN Cn1cncc1-c1cncc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257327428 463779140 /nfs/dbraw/zinc/77/91/40/463779140.db2.gz XBHRAGLQWZMZDH-ZDUSSCGKSA-N 0 0 327.432 2.314 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(Cc3ccccn3)CCO2)ccn1 ZINC000257328448 463779189 /nfs/dbraw/zinc/77/91/89/463779189.db2.gz XFRCWQWJZZJAGF-GOSISDBHSA-N 0 0 326.444 2.376 40 0 EEABRN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C(=O)c3nccn3C)C[C@H]12 ZINC000257326064 463779816 /nfs/dbraw/zinc/77/98/16/463779816.db2.gz WVQMBOCLGWXPQN-IJEWVQPXSA-N 0 0 326.400 2.053 40 0 EEABRN CCOc1ccc(CN2CCOC[C@@H]2c2nc(C)c[nH]2)cc1CO ZINC000257332056 463781477 /nfs/dbraw/zinc/78/14/77/463781477.db2.gz XVNRBMBFQIWCIK-MRXNPFEDSA-N 0 0 331.416 2.183 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257335503 463783220 /nfs/dbraw/zinc/78/32/20/463783220.db2.gz YKLBNOBRYSFQDE-AWEZNQCLSA-N 0 0 325.368 2.186 40 0 EEABRN Cc1nccc(CN2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)n1 ZINC000257340306 463786168 /nfs/dbraw/zinc/78/61/68/463786168.db2.gz ZFKVLFQVFJNHNY-SFHVURJKSA-N 0 0 341.459 2.080 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ccnn2C(C)C)n1 ZINC000257339744 463786259 /nfs/dbraw/zinc/78/62/59/463786259.db2.gz ZDADADVUKUTWNX-QGZVFWFLSA-N 0 0 342.447 2.227 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000260910063 463793308 /nfs/dbraw/zinc/79/33/08/463793308.db2.gz WLTCMLGKDOJCEK-RYUDHWBXSA-N 0 0 330.425 2.141 40 0 EEABRN Cc1cnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000194322528 463835695 /nfs/dbraw/zinc/83/56/95/463835695.db2.gz OCZSSYBZPJJTMO-GXTWGEPZSA-N 0 0 340.265 2.309 40 0 EEABRN Cc1ccc(N(C)S(=O)(=O)c2cn[nH]c2)cc1Br ZINC000186022212 463923921 /nfs/dbraw/zinc/92/39/21/463923921.db2.gz XEJSGXFPNNPLKO-UHFFFAOYSA-N 0 0 330.207 2.306 40 0 EEABRN CC1(C)[C@H](NC(=O)c2cc[nH]c(=O)c2)C[C@H]1OCc1ccccc1 ZINC000186535829 464019684 /nfs/dbraw/zinc/01/96/84/464019684.db2.gz UYUVIZWILSOICN-HZPDHXFCSA-N 0 0 326.396 2.489 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000195429477 464053940 /nfs/dbraw/zinc/05/39/40/464053940.db2.gz UORZMIJRIZTLEM-HOCLYGCPSA-N 0 0 349.452 2.274 40 0 EEABRN CN(C(=O)C(=O)Nc1ccnn1C)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195574282 464080393 /nfs/dbraw/zinc/08/03/93/464080393.db2.gz HQPLJJDGXKXIIT-HZPDHXFCSA-N 0 0 340.427 2.228 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)NC[C@H](C)c1c(C)noc1C)CC2 ZINC000269797527 464098463 /nfs/dbraw/zinc/09/84/63/464098463.db2.gz CBVADWIOVBJYSN-SMDDNHRTSA-N 0 0 349.431 2.380 40 0 EEABRN Cc1cccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)c1 ZINC000223618407 464145392 /nfs/dbraw/zinc/14/53/92/464145392.db2.gz MPCOTMNACYOJLS-UHFFFAOYSA-N 0 0 338.473 2.458 40 0 EEABRN CCCSc1nnc([N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000224169921 464148110 /nfs/dbraw/zinc/14/81/10/464148110.db2.gz WUVUJMADBBJCQV-UHFFFAOYSA-N 0 0 334.448 2.446 40 0 EEABRN COC[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000224873132 464152838 /nfs/dbraw/zinc/15/28/38/464152838.db2.gz DPZJKHDUFGREBP-LBPRGKRZSA-N 0 0 348.399 2.443 40 0 EEABRN COc1cccc(-c2cnc(CCC(=O)N3CCN(C)CC3)o2)c1 ZINC000224848848 464152933 /nfs/dbraw/zinc/15/29/33/464152933.db2.gz WXAQZCWJYRHPHL-UHFFFAOYSA-N 0 0 329.400 2.057 40 0 EEABRN Cn1ccnc1CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000225394616 464156936 /nfs/dbraw/zinc/15/69/36/464156936.db2.gz FNUVWIJJSPYDCI-UHFFFAOYSA-N 0 0 339.237 2.093 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225456465 464161570 /nfs/dbraw/zinc/16/15/70/464161570.db2.gz UVQKCHILBSLHRT-LBPRGKRZSA-N 0 0 328.372 2.027 40 0 EEABRN Nc1ncnc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481368 464164127 /nfs/dbraw/zinc/16/41/27/464164127.db2.gz PAVRCBPOJCGOJL-ZDUSSCGKSA-N 0 0 345.834 2.358 40 0 EEABRN CNc1nc(C)cc(C(=O)Nc2ccccc2O[C@H]2CCOC2)n1 ZINC000225562378 464172417 /nfs/dbraw/zinc/17/24/17/464172417.db2.gz CXTKYGPWVFFGQF-LBPRGKRZSA-N 0 0 328.372 2.247 40 0 EEABRN CCCc1occc1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000225583290 464173355 /nfs/dbraw/zinc/17/33/55/464173355.db2.gz PYSINFAFZJCLBC-UHFFFAOYSA-N 0 0 343.431 2.051 40 0 EEABRN Cc1cc2n(CCNC(=O)c3cncc(Br)c3)ccn2n1 ZINC000225578535 464174154 /nfs/dbraw/zinc/17/41/54/464174154.db2.gz JRSULRYYXYLDRK-UHFFFAOYSA-N 0 0 348.204 2.032 40 0 EEABRN Cn1ccc(N2CCC[C@H](SCCC(=O)OC(C)(C)C)C2=O)n1 ZINC000225641418 464178299 /nfs/dbraw/zinc/17/82/99/464178299.db2.gz YDYFAETZAOHSTB-LBPRGKRZSA-N 0 0 339.461 2.381 40 0 EEABRN COc1cccc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c1 ZINC000225688466 464180323 /nfs/dbraw/zinc/18/03/23/464180323.db2.gz NQMIUYOOLFOMSB-NSHDSACASA-N 0 0 341.454 2.331 40 0 EEABRN CO[C@@H](CNC(=O)c1cccn(C)c1=O)c1ccc(Cl)s1 ZINC000225700669 464181043 /nfs/dbraw/zinc/18/10/43/464181043.db2.gz CDBMBKPBMWDNNA-JTQLQIEISA-N 0 0 326.805 2.218 40 0 EEABRN C[C@@H]1CN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)C[C@@H](C)O1 ZINC000226145085 464183367 /nfs/dbraw/zinc/18/33/67/464183367.db2.gz CRFWIFAULXOPPC-PSTGCABASA-N 0 0 334.441 2.150 40 0 EEABRN Fc1ccc([C@H](NC[C@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376373 464266716 /nfs/dbraw/zinc/26/67/16/464266716.db2.gz ANDUSRWMLULYOX-HOTGVXAUSA-N 0 0 347.390 2.150 40 0 EEABRN CCOc1ccc(NC(=O)N2CCC(Cn3cncn3)CC2)cn1 ZINC000189106576 464434941 /nfs/dbraw/zinc/43/49/41/464434941.db2.gz IVJDARBUMWUJJK-UHFFFAOYSA-N 0 0 330.392 2.016 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238933494 464440046 /nfs/dbraw/zinc/44/00/46/464440046.db2.gz VHCMTSGVESYYMH-JTQLQIEISA-N 0 0 341.289 2.483 40 0 EEABRN O=C(CSc1ccc(F)cc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 ZINC000245093469 464466696 /nfs/dbraw/zinc/46/66/96/464466696.db2.gz ROUWVEAAEVDDLJ-SNPRPXQTSA-N 0 0 325.405 2.371 40 0 EEABRN C[C@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245264938 464470142 /nfs/dbraw/zinc/47/01/42/464470142.db2.gz DWPQTVCOPMWOHI-YCPHGPKFSA-N 0 0 348.443 2.331 40 0 EEABRN Cc1nc2ccc(NC(=O)N3CCN(c4cnn(C)c4)CC3)cc2o1 ZINC000175690680 464602394 /nfs/dbraw/zinc/60/23/94/464602394.db2.gz PFJIFKIFJPJOIW-UHFFFAOYSA-N 0 0 340.387 2.224 40 0 EEABRN O=C(C[C@H]1CN(CC2CC2)Cc2ccnn21)NCc1cccs1 ZINC000247807532 464708308 /nfs/dbraw/zinc/70/83/08/464708308.db2.gz CFJKJTWYFOKRSW-HNNXBMFYSA-N 0 0 330.457 2.418 40 0 EEABRN O=C(c1ccnnc1)N1CC2(C1)C[C@@H](OCC1CCCC1)CS2 ZINC000247859541 464710877 /nfs/dbraw/zinc/71/08/77/464710877.db2.gz MBGMYPQHNOZVBT-OAHLLOKOSA-N 0 0 333.457 2.384 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000247893849 464714056 /nfs/dbraw/zinc/71/40/56/464714056.db2.gz ZKOGBUWGQPWKAJ-MRXNPFEDSA-N 0 0 348.468 2.111 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247944168 464716049 /nfs/dbraw/zinc/71/60/49/464716049.db2.gz QJTYZHYWVJXTRY-HNNXBMFYSA-N 0 0 348.468 2.225 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](Oc2cccnc2)CS3)n(C)n1 ZINC000248039770 464726137 /nfs/dbraw/zinc/72/61/37/464726137.db2.gz NYYQMINFRRJBEH-MRXNPFEDSA-N 0 0 330.457 2.262 40 0 EEABRN C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccco2)[C@@H](C(=O)[O-])C1 ZINC000248094962 464728776 /nfs/dbraw/zinc/72/87/76/464728776.db2.gz YZGFGAYFSBTBRX-JKSUJKDBSA-N 0 0 342.395 2.469 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@@H]3COCc2cccnc2)cn1 ZINC000249691935 464904083 /nfs/dbraw/zinc/90/40/83/464904083.db2.gz LZOUVTWHOMVVLP-GOSISDBHSA-N 0 0 342.443 2.106 40 0 EEABRN O=C(NCCOCCO)Nc1cc2c(cc1Br)CCC2 ZINC000192479127 464933986 /nfs/dbraw/zinc/93/39/86/464933986.db2.gz CQDPJTNFASYYGK-UHFFFAOYSA-N 0 0 343.221 2.068 40 0 EEABRN Cn1cc(C(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)cn1 ZINC000252483390 464962479 /nfs/dbraw/zinc/96/24/79/464962479.db2.gz FAJVCQKCOKGFHB-LBPRGKRZSA-N 0 0 334.445 2.388 40 0 EEABRN COc1cnc2ccccc2c1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000252502849 464972460 /nfs/dbraw/zinc/97/24/60/464972460.db2.gz UVKOKTXKBUGHBH-OAHLLOKOSA-N 0 0 340.301 2.383 40 0 EEABRN CC[C@H](C)[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)C(F)(F)F ZINC000252503488 464972533 /nfs/dbraw/zinc/97/25/33/464972533.db2.gz VDLBTFYWYGSPFE-JOYOIKCWSA-N 0 0 335.370 2.274 40 0 EEABRN C[C@@H](NC(=O)C1(c2ccc(Br)c(Cl)c2)CC1)C(N)=O ZINC000252507869 464974056 /nfs/dbraw/zinc/97/40/56/464974056.db2.gz WVNKJNZUEONDCP-SSDOTTSWSA-N 0 0 345.624 2.124 40 0 EEABRN CN(Cc1ccccc1N1CCCC1)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000282872979 464983838 /nfs/dbraw/zinc/98/38/38/464983838.db2.gz DTAOEQNHGNUCQJ-INIZCTEOSA-N 0 0 346.475 2.328 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@H]1C[C@H](C)O)c1cc(F)c(F)c(F)c1 ZINC000252586401 464984284 /nfs/dbraw/zinc/98/42/84/464984284.db2.gz PRNNPQPSJKJTHY-HOSYDEDBSA-N 0 0 346.349 2.346 40 0 EEABRN CCN(C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192795006 464999349 /nfs/dbraw/zinc/99/93/49/464999349.db2.gz XUUCSMHPJFPHRR-TZMCWYRMSA-N 0 0 346.349 2.046 40 0 EEABRN CCC[C@@]12CCCN1C(=O)N(C1CCN(C(=O)OCC)CC1)C2=O ZINC000253427608 465011170 /nfs/dbraw/zinc/01/11/70/465011170.db2.gz AEDOEJGUFYLING-KRWDZBQOSA-N 0 0 337.420 2.204 40 0 EEABRN Cn1nccc1C1CCN(C(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000329872358 465459412 /nfs/dbraw/zinc/45/94/12/465459412.db2.gz DCPNWQZSWUZLDC-MRXNPFEDSA-N 0 0 326.400 2.145 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(N2CCSCC2)ncn1 ZINC000302904725 466210640 /nfs/dbraw/zinc/21/06/40/466210640.db2.gz SCEOIXXAVMKSHO-LBPRGKRZSA-N 0 0 346.504 2.423 40 0 EEABRN Cc1cc(CN2Cc3ccnn3[C@H](COc3ncccc3F)C2)no1 ZINC000306123843 466486921 /nfs/dbraw/zinc/48/69/21/466486921.db2.gz AYJCYAXLBIOWBB-HNNXBMFYSA-N 0 0 343.362 2.350 40 0 EEABRN O=C(NCC1CC1)c1nc2c(s1)C[C@@H](NC(=O)C1CCCC1)CC2 ZINC000306126955 466489377 /nfs/dbraw/zinc/48/93/77/466489377.db2.gz FJZLCPGJFWXRNK-ZDUSSCGKSA-N 0 0 347.484 2.447 40 0 EEABRN c1cc2n(n1)C[C@H](CNc1ncccn1)CN(Cc1ccccc1)C2 ZINC000306141276 466494242 /nfs/dbraw/zinc/49/42/42/466494242.db2.gz VQLAOVWTTUNMRJ-QGZVFWFLSA-N 0 0 334.427 2.417 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccccn3)CC2)cn1 ZINC000306139129 466494486 /nfs/dbraw/zinc/49/44/86/466494486.db2.gz SQASBJKEUVVWQH-NVXWUHKLSA-N 0 0 337.427 2.311 40 0 EEABRN O=C(Nc1ccccc1)c1cnc2n1C[C@H](Nc1ncccn1)CC2 ZINC000306144710 466496401 /nfs/dbraw/zinc/49/64/01/466496401.db2.gz ZMRMBERMLTWDMW-CQSZACIVSA-N 0 0 334.383 2.352 40 0 EEABRN CCc1cccc2c(C=C3SC(=O)NC3=O)cn(CC(N)=O)c21 ZINC000409122956 466685400 /nfs/dbraw/zinc/68/54/00/466685400.db2.gz DACOOLQVHNNZHE-SDQBBNPISA-N 0 0 329.381 2.013 40 0 EEABRN O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)NC1CC1 ZINC000409133890 466685778 /nfs/dbraw/zinc/68/57/78/466685778.db2.gz QWVYHHAAZZLVKO-UHFFFAOYSA-N 0 0 330.369 2.234 40 0 EEABRN C[C@H](Nc1ccc2c(c1)OCC(=O)N2C)C(=O)NCc1ccccc1 ZINC000390833873 467413916 /nfs/dbraw/zinc/41/39/16/467413916.db2.gz OHHJMTCVZLMILQ-ZDUSSCGKSA-N 0 0 339.395 2.159 40 0 EEABRN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)CNC(N)=O ZINC000390833960 467413972 /nfs/dbraw/zinc/41/39/72/467413972.db2.gz PJPYWQFAWWCPSS-AUUYWEPGSA-N 0 0 337.423 2.260 40 0 EEABRN Cc1cncc(OCC[C@H]2CCOC3(CN(C(=O)C(C)C)C3)C2)n1 ZINC000575404911 468141886 /nfs/dbraw/zinc/14/18/86/468141886.db2.gz QFLYTQISBYFBEP-HNNXBMFYSA-N 0 0 333.432 2.218 40 0 EEABRN Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575604869 468145803 /nfs/dbraw/zinc/14/58/03/468145803.db2.gz GUQDFEMTQUDRAF-GFCCVEGCSA-N 0 0 335.795 2.154 40 0 EEABRN CCN1CC[C@@]2(CN(Cc3c(C)noc3C)CC(F)(F)C2)C1=O ZINC000585093128 468963140 /nfs/dbraw/zinc/96/31/40/468963140.db2.gz DEFJKTLUHFQHIY-OAHLLOKOSA-N 0 0 327.375 2.371 40 0 EEABRN CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 ZINC000585096078 468964370 /nfs/dbraw/zinc/96/43/70/468964370.db2.gz ZINZHFQZYKGXTC-AWEZNQCLSA-N 0 0 346.456 2.335 40 0 EEABRN CCOCC(=O)N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 ZINC000585102358 468970088 /nfs/dbraw/zinc/97/00/88/468970088.db2.gz YCDXBNYODZGBJA-LJQANCHMSA-N 0 0 340.427 2.238 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112376 468974843 /nfs/dbraw/zinc/97/48/43/468974843.db2.gz OYXGSIZQJLYKEW-QGZVFWFLSA-N 0 0 327.432 2.020 40 0 EEABRN Cc1nc(C(=O)NCC[C@H]2CN(C(C)C)Cc3ccnn32)cs1 ZINC000585112698 468976684 /nfs/dbraw/zinc/97/66/84/468976684.db2.gz VMRVWLQQDYVYNM-ZDUSSCGKSA-N 0 0 333.461 2.233 40 0 EEABRN CC(=O)N1CC[C@@H](CNS(=O)(=O)c2csc3ccccc32)C1 ZINC000585141498 468990511 /nfs/dbraw/zinc/99/05/11/468990511.db2.gz AGNJAGINVKWWLE-LBPRGKRZSA-N 0 0 338.454 2.048 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2cnsn2)CC1 ZINC000585148679 468993444 /nfs/dbraw/zinc/99/34/44/468993444.db2.gz AJNUEWBXHQIYPK-UHFFFAOYSA-N 0 0 338.820 2.163 40 0 EEABRN CO[C@]1(COc2ccccc2)COCCN(C(=O)c2ccncc2)C1 ZINC000585269491 468997072 /nfs/dbraw/zinc/99/70/72/468997072.db2.gz WXPXYKXLWHLCMN-IBGZPJMESA-N 0 0 342.395 2.018 40 0 EEABRN CCCn1ccnc1CN1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585269404 468997967 /nfs/dbraw/zinc/99/79/67/468997967.db2.gz SCTKQNDBZIFQEG-GOSISDBHSA-N 0 0 333.407 2.448 40 0 EEABRN CO[C@]1(COc2cccc(F)c2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585275667 468999343 /nfs/dbraw/zinc/99/93/43/468999343.db2.gz DAMSQRCQYBXZIO-GOSISDBHSA-N 0 0 347.390 2.259 40 0 EEABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585279540 469006365 /nfs/dbraw/zinc/00/63/65/469006365.db2.gz ZOSJQLIEARYIQE-LJQANCHMSA-N 0 0 343.427 2.196 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cn[nH]c3)[C@H]2O)c1 ZINC000585286550 469009241 /nfs/dbraw/zinc/00/92/41/469009241.db2.gz KTSZQMZVUWONML-KBRIMQKVSA-N 0 0 329.400 2.057 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cocn2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585288012 469009713 /nfs/dbraw/zinc/00/97/13/469009713.db2.gz MKQUBNUNLLXSML-YXJHDRRASA-N 0 0 328.368 2.088 40 0 EEABRN CC[C@H](C)NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000243216228 485536159 /nfs/dbraw/zinc/53/61/59/485536159.db2.gz KHZHZOZUDDTNKS-ZDUSSCGKSA-N 0 0 348.443 2.471 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000390827241 485668374 /nfs/dbraw/zinc/66/83/74/485668374.db2.gz VJHZFQXDOKGBBG-CYBMUJFWSA-N 0 0 340.383 2.014 40 0 EEABRN CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000223878252 490700211 /nfs/dbraw/zinc/70/02/11/490700211.db2.gz BUMLIORFWPXAMF-LBPRGKRZSA-N 0 0 344.502 2.334 40 0 EEABRN CCC1(CC)CN(S(=O)(=O)CCc2cccs2)CC[S@@]1=O ZINC000195409169 500650845 /nfs/dbraw/zinc/65/08/45/500650845.db2.gz BNHYKMWJQFHSSP-HXUWFJFHSA-N 0 0 349.543 2.244 40 0 EEABRN Cc1cc(N2CC[C@H](SCCC(=O)OC(C)(C)C)C2=O)n(C)n1 ZINC000225641930 500658580 /nfs/dbraw/zinc/65/85/80/500658580.db2.gz USBYWLCBYVFGIR-LBPRGKRZSA-N 0 0 339.461 2.299 40 0 EEABRN CN(Cc1nc(-c2ccoc2)no1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248157048 523549937 /nfs/dbraw/zinc/54/99/37/523549937.db2.gz ZKJNXXNTAZNUCU-QWHCGFSZSA-N 0 0 339.417 2.117 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@@H](O)c1ccccc1 ZINC000245053451 527066963 /nfs/dbraw/zinc/06/69/63/527066963.db2.gz OVFRKIULQHPLDQ-JYJNAYRXSA-N 0 0 327.384 2.016 40 0 EEABRN CC(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000131066421 528492187 /nfs/dbraw/zinc/49/21/87/528492187.db2.gz LGLVVJGCOUSVKS-CQSZACIVSA-N 0 0 343.431 2.306 40 0 EEABRN CC[C@H]([NH3+])CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2[O-])n1 ZINC000149762239 1178654320 /nfs/dbraw/zinc/65/43/20/1178654320.db2.gz SCJXQZZYGYLKJG-AWEZNQCLSA-N 0 0 338.415 2.399 40 0 EEABRN COc1nn(C)cc1NC(=O)N1CC[C@H](Cc2nc(C)cs2)C1 ZINC000931052049 1206603192 /nfs/dbraw/zinc/60/31/92/1206603192.db2.gz XTLAIGPMXNNBDL-LLVKDONJSA-N 0 0 335.433 2.290 40 0 EEABRN CN1CCc2c(sc3[nH]c(=O)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000026961149 1352372387 /nfs/dbraw/zinc/37/23/87/1352372387.db2.gz WHGZCLIQVNSTQZ-UHFFFAOYSA-N 0 0 347.827 2.382 40 0 EEABRN OCc1ccnc(N2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC001548451748 1110432124 /nfs/dbraw/zinc/43/21/24/1110432124.db2.gz BXPSBAUHEKUJDH-CYBMUJFWSA-N 0 0 335.205 2.468 40 0 EEABRN O=C(c1c(F)cccc1Cl)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549166149 1121135376 /nfs/dbraw/zinc/13/53/76/1121135376.db2.gz ARNOJWSYPCOTEG-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)COc2ccccc2)c1 ZINC000056122969 214360333 /nfs/dbraw/zinc/36/03/33/214360333.db2.gz LSEFOYHIWXLQCZ-CYBMUJFWSA-N 0 0 349.408 2.219 40 0 EEABRN C/C(=C\C(=O)NCc1nnc(C)n1C)c1ccccc1OC(F)F ZINC000098019009 219070083 /nfs/dbraw/zinc/07/00/83/219070083.db2.gz ABLRJDNOGGIZIQ-CSKARUKUSA-N 0 0 336.342 2.445 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000081612342 282258596 /nfs/dbraw/zinc/25/85/96/282258596.db2.gz XZCUBNNGJOWHEK-ZDUSSCGKSA-N 0 0 326.444 2.447 40 0 EEABRN COC(=O)C1=C(N)C(=C(O)c2cc(Cl)ccc2Cl)NC1=S ZINC000100983675 219112792 /nfs/dbraw/zinc/11/27/92/219112792.db2.gz IEVZVCGRZSTWFY-SNVBAGLBSA-N 0 0 345.207 2.482 40 0 EEABRN COc1ccc(Nc2nnc(/C=C/c3cccs3)c(=O)n2N)cc1 ZINC000004277178 210160079 /nfs/dbraw/zinc/16/00/79/210160079.db2.gz PLQIRNZFLQBFHD-CMDGGOBGSA-N 0 0 341.396 2.336 40 0 EEABRN CCCCNC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004132595 210127925 /nfs/dbraw/zinc/12/79/25/210127925.db2.gz KQDLASSNWHESEG-UHFFFAOYSA-N 0 0 347.484 2.305 40 0 EEABRN COc1nc(C)cc(C)c1CNC(=O)NCCc1nc(C(C)C)no1 ZINC000069108396 215359882 /nfs/dbraw/zinc/35/98/82/215359882.db2.gz CYZWQJLWTOXRLB-UHFFFAOYSA-N 0 0 347.419 2.255 40 0 EEABRN C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccncc1 ZINC000040464814 213308796 /nfs/dbraw/zinc/30/87/96/213308796.db2.gz PZSYDBKZOYYWHD-ZDUSSCGKSA-N 0 0 327.384 2.404 40 0 EEABRN Cc1ccccc1CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000128033070 222909309 /nfs/dbraw/zinc/90/93/09/222909309.db2.gz WANVVNVUDYLQHD-UHFFFAOYSA-N 0 0 346.452 2.073 40 0 EEABRN O=C(c1cccs1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038528154 213213734 /nfs/dbraw/zinc/21/37/34/213213734.db2.gz KOOAUKSVBAJEAV-UHFFFAOYSA-N 0 0 343.456 2.101 40 0 EEABRN NC(=O)CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072363338 283288088 /nfs/dbraw/zinc/28/80/88/283288088.db2.gz ZHDQLFKVEKMRMC-UHFFFAOYSA-N 0 0 327.403 2.476 40 0 EEABRN Cc1ccc(-c2nnn(CC(=O)Nc3ccc(N(C)C)cc3)n2)cc1 ZINC000000419562 209582505 /nfs/dbraw/zinc/58/25/05/209582505.db2.gz WPWBYPUCDHLTFU-UHFFFAOYSA-N 0 0 336.399 2.353 40 0 EEABRN O=C(CN1CCCNC1=O)Nc1ncccc1OCC1CCCCC1 ZINC000072056784 216000021 /nfs/dbraw/zinc/00/00/21/216000021.db2.gz QGGDITTWZMJAPA-UHFFFAOYSA-N 0 0 346.431 2.395 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)c2cc(C)nc(N3CCCC3)n2)n1 ZINC000072241118 216079221 /nfs/dbraw/zinc/07/92/21/216079221.db2.gz DPBSBYSHEZMVCN-UHFFFAOYSA-N 0 0 342.447 2.019 40 0 EEABRN CCOC(=O)CNc1c(C)c(C)nc2cc(C3CCOCC3)nn21 ZINC000072336866 216157160 /nfs/dbraw/zinc/15/71/60/216157160.db2.gz URPVXYSRRPJPIX-UHFFFAOYSA-N 0 0 332.404 2.215 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(N)=O ZINC000072346284 216159553 /nfs/dbraw/zinc/15/95/53/216159553.db2.gz JOTHEZYBJGNNDX-CQSZACIVSA-N 0 0 328.347 2.000 40 0 EEABRN NC(=O)CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072367804 216174199 /nfs/dbraw/zinc/17/41/99/216174199.db2.gz HVCVSRDNUZWJEM-UHFFFAOYSA-N 0 0 327.403 2.476 40 0 EEABRN COc1ccc([C@@H]2CN(c3cc(C)ncn3)CCN2C(C)=O)cc1 ZINC000072369020 216176178 /nfs/dbraw/zinc/17/61/78/216176178.db2.gz KKQKEZJNRHOTSN-KRWDZBQOSA-N 0 0 326.400 2.203 40 0 EEABRN C[NH+](C)[C@@H](CNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000072401251 216194102 /nfs/dbraw/zinc/19/41/02/216194102.db2.gz JUFLYIZPSNNLCS-IHRRRGAJSA-N 0 0 338.835 2.416 40 0 EEABRN Cc1nc(C[C@H]2CCCN(C(=O)c3nc4cccnc4s3)C2)no1 ZINC000193930621 240367461 /nfs/dbraw/zinc/36/74/61/240367461.db2.gz ZDFCPSSAKHZHHT-LLVKDONJSA-N 0 0 343.412 2.478 40 0 EEABRN Cc1cc(C(=O)N2CCN(C[C@H](O)c3cc(C)ccc3C)CC2)on1 ZINC000072578123 216277371 /nfs/dbraw/zinc/27/73/71/216277371.db2.gz BJSWAJVCRIYEOF-KRWDZBQOSA-N 0 0 343.427 2.091 40 0 EEABRN CN1C(=O)N(CC(=O)OC[C@@H]2CC=CCC2)C(=O)C12CCCCC2 ZINC000072622694 216283961 /nfs/dbraw/zinc/28/39/61/216283961.db2.gz SZEBTPNLDVYDKX-CQSZACIVSA-N 0 0 334.416 2.483 40 0 EEABRN Cc1ccc(NC(=O)CN2CCNC(=O)[C@H]2c2cccs2)c(C)c1 ZINC000072799624 216308051 /nfs/dbraw/zinc/30/80/51/216308051.db2.gz JYMHLSLTUKMJEJ-QGZVFWFLSA-N 0 0 343.452 2.477 40 0 EEABRN Cc1nc(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)oc1C ZINC000073026429 216341216 /nfs/dbraw/zinc/34/12/16/216341216.db2.gz NMQSFXOMQVFSLP-CQSZACIVSA-N 0 0 348.447 2.272 40 0 EEABRN Cc1nccn1C[C@H](C)CNC(=O)N1CCN(c2cccs2)CC1 ZINC000131928771 223284652 /nfs/dbraw/zinc/28/46/52/223284652.db2.gz CHIQUGKASDZJAS-CQSZACIVSA-N 0 0 347.488 2.421 40 0 EEABRN CC(C)=CC(=O)N1CCC2(CC(=O)N(Cc3cccnc3)C2)CC1 ZINC000108533342 219902153 /nfs/dbraw/zinc/90/21/53/219902153.db2.gz DQDLVDOSJDHGSG-UHFFFAOYSA-N 0 0 327.428 2.389 40 0 EEABRN Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c(Cl)c1 ZINC000192298135 239637300 /nfs/dbraw/zinc/63/73/00/239637300.db2.gz HUHKCTDTNTZACK-UHFFFAOYSA-N 0 0 344.845 2.287 40 0 EEABRN CCn1cc(C(=O)NCCCn2ccnc2)c(=O)c2cc(C)ccc21 ZINC000022234744 212283908 /nfs/dbraw/zinc/28/39/08/212283908.db2.gz PRCLHXLTHAFYFI-UHFFFAOYSA-N 0 0 338.411 2.346 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000195274757 240905001 /nfs/dbraw/zinc/90/50/01/240905001.db2.gz GTNBVXDFWHIOLA-UHFFFAOYSA-N 0 0 349.456 2.305 40 0 EEABRN O=C(Nc1ccn(-c2ccccc2)n1)c1n[nH]c(=O)c2ccccc21 ZINC000225500592 241901137 /nfs/dbraw/zinc/90/11/37/241901137.db2.gz VNINAQAOGHQXNL-UHFFFAOYSA-N 0 0 331.335 2.361 40 0 EEABRN Cc1ccc(CN(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1 ZINC000225819790 242052428 /nfs/dbraw/zinc/05/24/28/242052428.db2.gz BPCHMSZAOHEFQP-UHFFFAOYSA-N 0 0 346.452 2.073 40 0 EEABRN Cc1cccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000225850399 242062526 /nfs/dbraw/zinc/06/25/26/242062526.db2.gz ISOQOUFTCWHRJG-KRWDZBQOSA-N 0 0 346.452 2.244 40 0 EEABRN COCCN1CN(C(=O)N[C@@H](C)c2oc3ccccc3c2C)CC1=O ZINC000225760267 242023715 /nfs/dbraw/zinc/02/37/15/242023715.db2.gz HCRKSTKIRDVJQA-ZDUSSCGKSA-N 0 0 345.399 2.260 40 0 EEABRN O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccsc1 ZINC000225771352 242028458 /nfs/dbraw/zinc/02/84/58/242028458.db2.gz MWCFBBGMFBJIMW-UHFFFAOYSA-N 0 0 334.372 2.038 40 0 EEABRN O=C(Cn1cc(COc2ccccc2F)nn1)N1CCCCCC1 ZINC000227167844 242126709 /nfs/dbraw/zinc/12/67/09/242126709.db2.gz BNDNNLXMEJMHQP-UHFFFAOYSA-N 0 0 332.379 2.399 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)n1cncn1 ZINC000245344002 243103497 /nfs/dbraw/zinc/10/34/97/243103497.db2.gz WXGFITRGAXDAAH-IIMNLJJBSA-N 0 0 338.770 2.278 40 0 EEABRN CCOc1cccc2c(C)nc(NC3=NCN(C(C)C)CN3)nc12 ZINC000020634394 212158708 /nfs/dbraw/zinc/15/87/08/212158708.db2.gz WJSXHCPFEDNBIE-UHFFFAOYSA-N 0 0 328.420 2.333 40 0 EEABRN CCN(CCC(F)(F)F)C(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000076587575 216794620 /nfs/dbraw/zinc/79/46/20/216794620.db2.gz OHLYRCGTMDMBSA-UHFFFAOYSA-N 0 0 338.351 2.057 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2ncccn2)CCO3)c(C)o1 ZINC000247847198 243464812 /nfs/dbraw/zinc/46/48/12/243464812.db2.gz SOPWLCXZLSHENM-CQSZACIVSA-N 0 0 343.383 2.139 40 0 EEABRN Cc1cccc(CO[C@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000247859662 243467549 /nfs/dbraw/zinc/46/75/49/243467549.db2.gz FGGGLKQXYRUJMH-INIZCTEOSA-N 0 0 326.400 2.135 40 0 EEABRN COc1cc(N2CC3(C2)C[C@@H](Oc2ccccn2)CS3)ncn1 ZINC000247883737 243471235 /nfs/dbraw/zinc/47/12/35/243471235.db2.gz KCBHPSXPOMNWDG-GFCCVEGCSA-N 0 0 330.413 2.024 40 0 EEABRN CC(C)n1cnc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 ZINC000253431037 243984859 /nfs/dbraw/zinc/98/48/59/243984859.db2.gz NKMGMDGKQDTXCW-UHFFFAOYSA-N 0 0 341.415 2.415 40 0 EEABRN C[C@@H]1c2nc(CC(=O)Nc3cccnc3)cn2CCN1CC1CC1 ZINC000253590933 244028291 /nfs/dbraw/zinc/02/82/91/244028291.db2.gz HSMLVKKTJMDXIM-CYBMUJFWSA-N 0 0 325.416 2.246 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](OCc2ccccn2)CS3)on1 ZINC000253600221 244032702 /nfs/dbraw/zinc/03/27/02/244032702.db2.gz KLEUSAMJHBYDAI-AWEZNQCLSA-N 0 0 345.424 2.295 40 0 EEABRN CC(=O)N1CCC[C@@H]1C(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257204667 244129778 /nfs/dbraw/zinc/12/97/78/244129778.db2.gz AVUQWBZDUDRCDS-CQSZACIVSA-N 0 0 335.473 2.343 40 0 EEABRN CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3cscn3)CC2)cn1 ZINC000257199962 244116254 /nfs/dbraw/zinc/11/62/54/244116254.db2.gz ABLUMECNKYQDFL-ZDUSSCGKSA-N 0 0 345.472 2.484 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)n1 ZINC000257208949 244143721 /nfs/dbraw/zinc/14/37/21/244143721.db2.gz BOFCMDXGONIYGG-SNVBAGLBSA-N 0 0 327.310 2.297 40 0 EEABRN CCn1nccc1-c1cccc(C2CCN(C(=O)COC)CC2)n1 ZINC000257212774 244156677 /nfs/dbraw/zinc/15/66/77/244156677.db2.gz CEXTXAMLMRWEQP-UHFFFAOYSA-N 0 0 328.416 2.317 40 0 EEABRN Cc1cc(CN2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)no1 ZINC000257215579 244166871 /nfs/dbraw/zinc/16/68/71/244166871.db2.gz CQSRTERQHWHVHZ-KRWDZBQOSA-N 0 0 330.432 2.278 40 0 EEABRN Cc1nccc([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 ZINC000257226334 244200885 /nfs/dbraw/zinc/20/08/85/244200885.db2.gz FKGHVJJIIAHXDF-KRWDZBQOSA-N 0 0 339.443 2.018 40 0 EEABRN O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1ccc2c(c1)OCO2 ZINC000257227238 244205048 /nfs/dbraw/zinc/20/50/48/244205048.db2.gz FOGUSUDMZGJQGS-HNNXBMFYSA-N 0 0 341.367 2.377 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(Cc3ccc(C)nc3)CCN2C)c1 ZINC000257232183 244215756 /nfs/dbraw/zinc/21/57/56/244215756.db2.gz GJTCSSGMCFLQCZ-IBGZPJMESA-N 0 0 338.455 2.238 40 0 EEABRN Cc1ncc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c(C)n1 ZINC000257243667 244250240 /nfs/dbraw/zinc/25/02/40/244250240.db2.gz IHZYFKWXLORPNA-IEBWSBKVSA-N 0 0 341.411 2.138 40 0 EEABRN O=c1cc(C[C@@H]2COCCN(Cc3ccc(F)cc3F)C2)nc[nH]1 ZINC000257243171 244251409 /nfs/dbraw/zinc/25/14/09/244251409.db2.gz IFTAEJSUVRHCSG-LBPRGKRZSA-N 0 0 335.354 2.152 40 0 EEABRN Cc1nccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257245239 244255617 /nfs/dbraw/zinc/25/56/17/244255617.db2.gz IOQPWKMNINJJAT-SFHVURJKSA-N 0 0 327.384 2.130 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cnn(C)c1C ZINC000257232747 244220225 /nfs/dbraw/zinc/22/02/25/244220225.db2.gz GMFIIOCDHDBXIZ-GOSISDBHSA-N 0 0 342.443 2.143 40 0 EEABRN Cc1nccnc1CC[C@H]1COCCN1Cc1ccnn1C(C)C ZINC000257238692 244234876 /nfs/dbraw/zinc/23/48/76/244234876.db2.gz HMBWTOMRSBYYKC-KRWDZBQOSA-N 0 0 329.448 2.396 40 0 EEABRN Cc1cc(CC2CCN(S(=O)(=O)c3cccnc3)CC2)ccn1 ZINC000257250477 244268928 /nfs/dbraw/zinc/26/89/28/244268928.db2.gz JMQWHXXVESXZBG-UHFFFAOYSA-N 0 0 331.441 2.428 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)nc(C)n1 ZINC000257256153 244282718 /nfs/dbraw/zinc/28/27/18/244282718.db2.gz KKGZUKHZKWSAPQ-MRXNPFEDSA-N 0 0 342.447 2.165 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257265678 244360155 /nfs/dbraw/zinc/36/01/55/244360155.db2.gz LZVBYDOFVCZEDY-CQSZACIVSA-N 0 0 338.411 2.312 40 0 EEABRN Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)c2sccn12 ZINC000257271616 244378455 /nfs/dbraw/zinc/37/84/55/244378455.db2.gz MZBHVQWRDOFABY-NSHDSACASA-N 0 0 328.463 2.038 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000257272181 244378857 /nfs/dbraw/zinc/37/88/57/244378857.db2.gz NBIVCCOUKGLERD-INIZCTEOSA-N 0 0 338.411 2.221 40 0 EEABRN CS(=O)(=O)N1CCC2(CO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257274445 244388448 /nfs/dbraw/zinc/38/84/48/244388448.db2.gz NLBYIILGOOPFSA-HNNXBMFYSA-N 0 0 327.421 2.199 40 0 EEABRN Cc1cc(CC[C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 ZINC000257279565 244404410 /nfs/dbraw/zinc/40/44/10/244404410.db2.gz OHFXBMMXPMEEOD-KRWDZBQOSA-N 0 0 325.412 2.326 40 0 EEABRN O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(F)cc1 ZINC000019932191 212086183 /nfs/dbraw/zinc/08/61/83/212086183.db2.gz KSDUJHYTLWOETF-UHFFFAOYSA-N 0 0 331.372 2.490 40 0 EEABRN COc1ccc(C(=O)N2CCOCC2)nc1Nc1ccc(F)cc1 ZINC000019872906 212077060 /nfs/dbraw/zinc/07/70/60/212077060.db2.gz UOXKBSSWAHXUBV-UHFFFAOYSA-N 0 0 331.347 2.445 40 0 EEABRN O=C(NC1CCCC1)[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000019747740 212061578 /nfs/dbraw/zinc/06/15/78/212061578.db2.gz FJPTVBZPDNKBID-LBPRGKRZSA-N 0 0 344.440 2.212 40 0 EEABRN NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)C1CCCC1 ZINC000019697283 212055283 /nfs/dbraw/zinc/05/52/83/212055283.db2.gz JCLUBJHFBJMELB-UHFFFAOYSA-N 0 0 338.411 2.091 40 0 EEABRN COc1cccc(CN2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c1 ZINC000019565484 212044098 /nfs/dbraw/zinc/04/40/98/212044098.db2.gz JZQPYZZVJFWRDK-UHFFFAOYSA-N 0 0 349.394 2.206 40 0 EEABRN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@H](C)Cc1ccccn1 ZINC000019577612 212045855 /nfs/dbraw/zinc/04/58/55/212045855.db2.gz IEVZYQNIHARBJG-SECBINFHSA-N 0 0 344.387 2.200 40 0 EEABRN CCN1C[C@H](C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1=O ZINC000019526918 212038031 /nfs/dbraw/zinc/03/80/31/212038031.db2.gz MQJTZLQGGOXSIC-CABCVRRESA-N 0 0 346.427 2.236 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2N1C(=O)CCc1nc(C(C)C)no1 ZINC000078499907 217063326 /nfs/dbraw/zinc/06/33/26/217063326.db2.gz DRKFSJBMNQWZHU-CQSZACIVSA-N 0 0 343.383 2.257 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC000078604104 217084927 /nfs/dbraw/zinc/08/49/27/217084927.db2.gz ZZRSJZJRFDDFAA-GOSISDBHSA-N 0 0 341.459 2.148 40 0 EEABRN COc1cccc(Cc2nnc(NC(=O)NC[C@H]3CCOC3)s2)c1 ZINC000078657507 217096360 /nfs/dbraw/zinc/09/63/60/217096360.db2.gz LRFVIYKNWGQOKL-GFCCVEGCSA-N 0 0 348.428 2.296 40 0 EEABRN CN(Cc1ccccn1)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000078657310 217096717 /nfs/dbraw/zinc/09/67/17/217096717.db2.gz JKCHYHRTUQPPNN-UHFFFAOYSA-N 0 0 335.766 2.263 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000078985876 217165136 /nfs/dbraw/zinc/16/51/36/217165136.db2.gz YUGODOKBCDYIBO-MFKMUULPSA-N 0 0 349.412 2.277 40 0 EEABRN C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000078986159 217165361 /nfs/dbraw/zinc/16/53/61/217165361.db2.gz HEQXWSGGZKQSNF-RKDXNWHRSA-N 0 0 342.804 2.255 40 0 EEABRN O=C(CSc1nccn1Cc1ccccn1)NCc1ccccn1 ZINC000079038016 217179861 /nfs/dbraw/zinc/17/98/61/217179861.db2.gz XFKPAPQZLKNBSK-UHFFFAOYSA-N 0 0 339.424 2.130 40 0 EEABRN Cc1ccc(CC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cn1 ZINC000079048776 217181644 /nfs/dbraw/zinc/18/16/44/217181644.db2.gz GJWWIPRVEUHKNK-SFHVURJKSA-N 0 0 349.394 2.152 40 0 EEABRN CSc1ccc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)o1 ZINC000078999212 217171171 /nfs/dbraw/zinc/17/11/71/217171171.db2.gz UWOIKIQTGYGXAX-UHFFFAOYSA-N 0 0 345.424 2.431 40 0 EEABRN CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccccn3)cc2C[C@H]1C ZINC000079248588 217203237 /nfs/dbraw/zinc/20/32/37/217203237.db2.gz GYQUOWQDKALMHY-GFCCVEGCSA-N 0 0 345.424 2.204 40 0 EEABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCc2cscn2)CC1=O ZINC000079352510 217212655 /nfs/dbraw/zinc/21/26/55/217212655.db2.gz YAAKQOYDXYDIND-UKRRQHHQSA-N 0 0 343.452 2.412 40 0 EEABRN O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cscn1 ZINC000080426924 217303397 /nfs/dbraw/zinc/30/33/97/217303397.db2.gz VWXKTIAWHCDLES-AWEZNQCLSA-N 0 0 330.409 2.391 40 0 EEABRN CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000081173401 217368572 /nfs/dbraw/zinc/36/85/72/217368572.db2.gz DXDREUAUTPGOTF-HUUCEWRRSA-N 0 0 348.447 2.168 40 0 EEABRN COC(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc3ccccc3c12 ZINC000003288709 284460937 /nfs/dbraw/zinc/46/09/37/284460937.db2.gz MCJIGHRKCJOCSS-CPUCHLNUSA-N 0 0 328.393 2.256 40 0 EEABRN C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000083995188 217568360 /nfs/dbraw/zinc/56/83/60/217568360.db2.gz LFAYONGVEAWDIZ-RRMDADRESA-N 0 0 337.466 2.370 40 0 EEABRN COc1cc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2cc1OC ZINC000012481167 211391631 /nfs/dbraw/zinc/39/16/31/211391631.db2.gz SSDCMUSWOYUMDC-UHFFFAOYSA-N 0 0 338.363 2.475 40 0 EEABRN O=C(c1cccs1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 ZINC000012407376 211370917 /nfs/dbraw/zinc/37/09/17/211370917.db2.gz DHLOGYOKUCUQIQ-CYBMUJFWSA-N 0 0 340.412 2.101 40 0 EEABRN O=C(Cc1ccccc1O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000089921013 217883475 /nfs/dbraw/zinc/88/34/75/217883475.db2.gz SIAYTRVGEDPLRV-MRXNPFEDSA-N 0 0 338.407 2.100 40 0 EEABRN COCCC(=O)N[C@H](Cc1ccccc1)c1nn(C)c2ncccc12 ZINC000012236067 211327242 /nfs/dbraw/zinc/32/72/42/211327242.db2.gz SUULIYULRZASPQ-MRXNPFEDSA-N 0 0 338.411 2.405 40 0 EEABRN Cc1occc1-c1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(=O)o1 ZINC000012143009 211304526 /nfs/dbraw/zinc/30/45/26/211304526.db2.gz BVAOBBXRSDGYQN-NSHDSACASA-N 0 0 339.351 2.383 40 0 EEABRN Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)NC(C)C)C2)on1 ZINC000012118398 211297977 /nfs/dbraw/zinc/29/79/77/211297977.db2.gz GBTPSSMPJWGLDT-AWEZNQCLSA-N 0 0 343.431 2.144 40 0 EEABRN C[C@@H](NC(=O)Cc1cccc(F)c1)c1nnc(-c2ccncc2)[nH]1 ZINC000012114855 211293973 /nfs/dbraw/zinc/29/39/73/211293973.db2.gz JOYNJSBXYOWTBX-LLVKDONJSA-N 0 0 325.347 2.426 40 0 EEABRN O=C(NCc1nc(-c2ccccc2)no1)c1cc(-c2ccccn2)n[nH]1 ZINC000012147387 211307638 /nfs/dbraw/zinc/30/76/38/211307638.db2.gz UFSQZRZASYOAJK-UHFFFAOYSA-N 0 0 346.350 2.452 40 0 EEABRN O=C(C1CCCCC1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 ZINC000012085251 211288490 /nfs/dbraw/zinc/28/84/90/211288490.db2.gz JGMGXIWWZXCVBV-MRXNPFEDSA-N 0 0 340.431 2.306 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)Cn1cccn1 ZINC000091622510 218033422 /nfs/dbraw/zinc/03/34/22/218033422.db2.gz HHYGSIYDHQDUFG-SWLSCSKDSA-N 0 0 330.436 2.406 40 0 EEABRN CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000095436997 218380158 /nfs/dbraw/zinc/38/01/58/218380158.db2.gz ULAHCMOCNLTYAH-UMPGKWJCSA-N 0 0 346.537 2.409 40 0 EEABRN CN(C)c1ncc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000095434556 218377672 /nfs/dbraw/zinc/37/76/72/218377672.db2.gz BKGHAMRJIIEGBB-UHFFFAOYSA-N 0 0 346.410 2.065 40 0 EEABRN Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)/C=C/c2cccs2)C3)o1 ZINC000096038825 218519487 /nfs/dbraw/zinc/51/94/87/218519487.db2.gz WSELIHURCIAVPK-XUOJHOASSA-N 0 0 345.424 2.412 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)o1 ZINC000096042281 218526563 /nfs/dbraw/zinc/52/65/63/218526563.db2.gz IEFBJKJHISYMEH-GRDNDAEWSA-N 0 0 328.368 2.434 40 0 EEABRN COc1ccc(O[C@H]2COCCN(C(=O)c3cccnc3)C2)cc1 ZINC000096113216 218609368 /nfs/dbraw/zinc/60/93/68/218609368.db2.gz ZKPSLDRFCQKBPA-QGZVFWFLSA-N 0 0 328.368 2.010 40 0 biogenic,in-vitro EEABRN COc1c(Br)c(C(=O)N(C)Cc2ccco2)nn1C ZINC000096181024 218642598 /nfs/dbraw/zinc/64/25/98/218642598.db2.gz WYVFBBHXAFVFCV-UHFFFAOYSA-N 0 0 328.166 2.056 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096217542 218691244 /nfs/dbraw/zinc/69/12/44/218691244.db2.gz GDGHXOPQXYLNHU-KDOFPFPSSA-N 0 0 344.436 2.449 40 0 EEABRN COCCN1CCCc2sc(C(=O)Nc3ccc(C)nc3)nc21 ZINC000096264606 218732232 /nfs/dbraw/zinc/73/22/32/218732232.db2.gz COMJHEDQFXHWMU-UHFFFAOYSA-N 0 0 332.429 2.498 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000096409652 218762775 /nfs/dbraw/zinc/76/27/75/218762775.db2.gz FVQOEQXXCBCXEL-CQSZACIVSA-N 0 0 340.489 2.330 40 0 EEABRN CC(C)C(=O)NCCNS(=O)(=O)c1ccccc1C(C)(C)C ZINC000096427630 218799781 /nfs/dbraw/zinc/79/97/81/218799781.db2.gz FKAPICNUEGVEBQ-UHFFFAOYSA-N 0 0 326.462 2.035 40 0 EEABRN Cc1nc(C(=O)NCCc2ccc(OC(C)C)cc2)c(=O)[nH]c1C ZINC000096486444 218863047 /nfs/dbraw/zinc/86/30/47/218863047.db2.gz BYHSBSZFOLBPOA-UHFFFAOYSA-N 0 0 329.400 2.146 40 0 EEABRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCS(=O)(=O)N(C)C)o1 ZINC000096487397 218864294 /nfs/dbraw/zinc/86/42/94/218864294.db2.gz FFOVJCFPMKTQHX-TZMCWYRMSA-N 0 0 342.461 2.169 40 0 EEABRN COC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000096500251 218875548 /nfs/dbraw/zinc/87/55/48/218875548.db2.gz ADSFPKAIRFXYDG-LSDHHAIUSA-N 0 0 348.418 2.372 40 0 EEABRN O=C(NCC[C@@H]1CCCCO1)NCc1ccc(-n2cncn2)cc1 ZINC000096500183 218875583 /nfs/dbraw/zinc/87/55/83/218875583.db2.gz JOBYTCZXCZUTGL-INIZCTEOSA-N 0 0 329.404 2.026 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000005235118 210419991 /nfs/dbraw/zinc/41/99/91/210419991.db2.gz LRWAGSLVMZSJPT-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN COCCN1CCN(Cc2cccc(-c3cccnc3)c2)CC1=O ZINC000097235578 219001670 /nfs/dbraw/zinc/00/16/70/219001670.db2.gz NNBJWLUGPRGMLU-UHFFFAOYSA-N 0 0 325.412 2.039 40 0 EEABRN CCCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000004878540 210309334 /nfs/dbraw/zinc/30/93/34/210309334.db2.gz DETFDTGDDFIZHL-UHFFFAOYSA-N 0 0 334.401 2.227 40 0 EEABRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000097373873 219017629 /nfs/dbraw/zinc/01/76/29/219017629.db2.gz ZXGOIMOARDHRGC-SKWUIDRYSA-N 0 0 336.391 2.317 40 0 EEABRN O=c1c2cc3c(cc2nnn1Cc1ccc(Cl)cc1)OCCO3 ZINC000032647327 285209509 /nfs/dbraw/zinc/20/95/09/285209509.db2.gz SQAJDKSKSNHCLX-UHFFFAOYSA-N 0 0 329.743 2.264 40 0 EEABRN Cc1nc(-c2ccccn2)nc(N2CCC[C@H](S(C)(=O)=O)C2)c1C ZINC000274068382 256350553 /nfs/dbraw/zinc/35/05/53/256350553.db2.gz OVMKNKCAHSFELT-AWEZNQCLSA-N 0 0 346.456 2.169 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)NC[C@H]1CCOc2ccccc21 ZINC000155186363 224374200 /nfs/dbraw/zinc/37/42/00/224374200.db2.gz LXRDTQRNYWEPIS-CYBMUJFWSA-N 0 0 327.384 2.382 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252516966 257659338 /nfs/dbraw/zinc/65/93/38/257659338.db2.gz YMEGOAVOQZMSHP-KSZLIROESA-N 0 0 331.437 2.279 40 0 EEABRN CCOCCn1cnc2c(cnn2Cc2ccc(Cl)cc2)c1=O ZINC000330032527 258002686 /nfs/dbraw/zinc/00/26/86/258002686.db2.gz OXTXSQZMHBBJIR-UHFFFAOYSA-N 0 0 332.791 2.331 40 0 EEABRN O=C1CCCN1CCc1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000078774510 132817135 /nfs/dbraw/zinc/81/71/35/132817135.db2.gz AQYWIWPSKIBLBA-UHFFFAOYSA-N 0 0 341.415 2.287 40 0 EEABRN O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@]23C=C[C@]12CC=CC3 ZINC000045070554 296533639 /nfs/dbraw/zinc/53/36/39/296533639.db2.gz ZFBAPIILPYWLOP-NFQUHZNNSA-N 0 0 331.375 2.359 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)C[C@H](C)O1 ZINC000040774669 296887429 /nfs/dbraw/zinc/88/74/29/296887429.db2.gz CRFWIFAULXOPPC-JKDFXYPNSA-N 0 0 334.441 2.150 40 0 EEABRN Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@H]2C)n1 ZINC000096062063 274789117 /nfs/dbraw/zinc/78/91/17/274789117.db2.gz JPEYQXLATOAPEV-CQSZACIVSA-N 0 0 336.399 2.048 40 0 EEABRN O=C(c1cscn1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000247873033 275015941 /nfs/dbraw/zinc/01/59/41/275015941.db2.gz RPLGUOAWFSWCCG-HNNXBMFYSA-N 0 0 340.408 2.443 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1C ZINC000257254785 279248467 /nfs/dbraw/zinc/24/84/67/279248467.db2.gz KEQUFWZIIQPEAJ-AEFFLSMTSA-N 0 0 330.428 2.153 40 0 EEABRN Cc1cc(-c2cc3nc(C)c(C)c(N4CCC[C@H](O)C4)n3n2)no1 ZINC000013225841 280284319 /nfs/dbraw/zinc/28/43/19/280284319.db2.gz FPLKPYVVQBMYAZ-ZDUSSCGKSA-N 0 0 327.388 2.271 40 0 EEABRN CCn1ccc2nc3nc(C)nn3c(-c3ccccc3OC)c2c1=O ZINC000040398423 288712233 /nfs/dbraw/zinc/71/22/33/288712233.db2.gz KULCQABBYXMERA-UHFFFAOYSA-N 0 0 335.367 2.443 40 0 EEABRN C[C@H](C(=O)NC1(c2ccc(Br)cc2)CC1)n1cncn1 ZINC000079039457 289342939 /nfs/dbraw/zinc/34/29/39/289342939.db2.gz SQUOXVMWUWTWTL-SNVBAGLBSA-N 0 0 335.205 2.407 40 0 EEABRN CC(=O)c1cc(C(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)n(C)c1 ZINC000293711522 293276229 /nfs/dbraw/zinc/27/62/29/293276229.db2.gz OJXLPSMKEBDZNS-STQMWFEESA-N 0 0 347.459 2.335 40 0 EEABRN CC(C)n1cnc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000293838984 293307584 /nfs/dbraw/zinc/30/75/84/293307584.db2.gz CEBNROKMMBLMQO-QGZVFWFLSA-N 0 0 340.427 2.037 40 0 EEABRN Cc1nn2c([nH]c(=O)/c(=C\c3ccc(C)cc3)c2=O)c1-c1ccccc1 ZINC000022607126 293804710 /nfs/dbraw/zinc/80/47/10/293804710.db2.gz DMBKAULPRXQHHN-SFQUDFHCSA-N 0 0 343.386 2.214 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000249442897 294298194 /nfs/dbraw/zinc/29/81/94/294298194.db2.gz FPQPNORIBKFNDE-UGFHNGPFSA-N 0 0 346.880 2.040 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000155502220 302250458 /nfs/dbraw/zinc/25/04/58/302250458.db2.gz MDRKHBVGNVDPRA-KBPBESRZSA-N 0 0 345.399 2.407 40 0 EEABRN CNC(=O)[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C(=O)OC ZINC000565786131 319214566 /nfs/dbraw/zinc/21/45/66/319214566.db2.gz KCABMIGMFDWHOQ-WPRPVWTQSA-N 0 0 345.321 2.214 40 0 EEABRN CCN(C)c1ccc(CNc2ncccc2N2CCOCC2)cn1 ZINC000573660522 319953998 /nfs/dbraw/zinc/95/39/98/319953998.db2.gz UVQTYWFMZFGNDX-UHFFFAOYSA-N 0 0 327.432 2.381 40 0 EEABRN CCc1cnc(CCNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)s1 ZINC000097234507 323321226 /nfs/dbraw/zinc/32/12/26/323321226.db2.gz UJXJTFJPYXOMBB-JSGCOSHPSA-N 0 0 325.478 2.441 40 0 EEABRN Cc1oc(C(=O)N([C@H](C)C(C)C)C2CC2)cc1S(=O)(=O)N(C)C ZINC000084753677 463628388 /nfs/dbraw/zinc/62/83/88/463628388.db2.gz MBKMKOVMWGALTI-LLVKDONJSA-N 0 0 342.461 2.487 40 0 EEABRN CC(C)c1nnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)s1 ZINC000000138429 462543682 /nfs/dbraw/zinc/54/36/82/462543682.db2.gz IEGIMNJJUTVYAS-VIFPVBQESA-N 0 0 344.396 2.285 40 0 EEABRN CC(C)c1nnc(CN2CCN(CCOc3ccccc3)CC2)o1 ZINC000060372799 462544580 /nfs/dbraw/zinc/54/45/80/462544580.db2.gz TVFLOZOZYNUWEU-UHFFFAOYSA-N 0 0 330.432 2.390 40 0 EEABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC[C@@H]1CCCO1 ZINC000000415880 462559952 /nfs/dbraw/zinc/55/99/52/462559952.db2.gz OZLNWDCQBUMJQQ-LBPRGKRZSA-N 0 0 337.376 2.263 40 0 EEABRN CCc1nc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)no1 ZINC000086202840 462568291 /nfs/dbraw/zinc/56/82/91/462568291.db2.gz INDRKTQWFLRUNI-STQMWFEESA-N 0 0 344.415 2.494 40 0 EEABRN CC1=C[C@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2ccncc2)N1 ZINC000000527765 462569323 /nfs/dbraw/zinc/56/93/23/462569323.db2.gz MJVLINKZRPHKBM-JTQLQIEISA-N 0 0 339.220 2.121 40 0 EEABRN CC(=O)N1CCN(c2ccc3[nH]c(-c4ccc(N)cc4)nc3c2)CC1 ZINC000045221703 462569791 /nfs/dbraw/zinc/56/97/91/462569791.db2.gz MYZCUHLJJNRUOP-UHFFFAOYSA-N 0 0 335.411 2.481 40 0 EEABRN Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1-n1cnnn1 ZINC000001341964 462579033 /nfs/dbraw/zinc/57/90/33/462579033.db2.gz ZNLUWYKWAIBADY-UHFFFAOYSA-N 0 0 347.444 2.140 40 0 EEABRN Cc1c(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cnn1C ZINC000002789673 462603123 /nfs/dbraw/zinc/60/31/23/462603123.db2.gz NBRJCLIVUULWNL-UHFFFAOYSA-N 0 0 341.261 2.225 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)Cc3cccs3)nn2)cc1 ZINC000087422974 462607254 /nfs/dbraw/zinc/60/72/54/462607254.db2.gz SBAINDGMIUFZAM-UHFFFAOYSA-N 0 0 328.397 2.196 40 0 EEABRN COC(=O)c1sccc1CN(C)[C@H](C(N)=O)c1cccc(F)c1 ZINC000088504546 462633744 /nfs/dbraw/zinc/63/37/44/462633744.db2.gz KNVSSKFYKWBNFL-ZDUSSCGKSA-N 0 0 336.388 2.332 40 0 EEABRN O=C(Cc1ccon1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000074806343 462636387 /nfs/dbraw/zinc/63/63/87/462636387.db2.gz FCESYPBLNDOXKL-UHFFFAOYSA-N 0 0 331.397 2.298 40 0 EEABRN O=C(NN1CC(=O)N(C2CCCC2)C1=O)c1cccc2ncccc21 ZINC000004935022 462641003 /nfs/dbraw/zinc/64/10/03/462641003.db2.gz RSBZLJDXKZQUQV-UHFFFAOYSA-N 0 0 338.367 2.086 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(N)=O ZINC000005008444 462643576 /nfs/dbraw/zinc/64/35/76/462643576.db2.gz YMOJNHWTIPOPPF-UHFFFAOYSA-N 0 0 330.409 2.235 40 0 EEABRN CC[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1ccccc1OC(F)F ZINC000153548564 462662785 /nfs/dbraw/zinc/66/27/85/462662785.db2.gz YDJXXOWYOYCSKT-GFCCVEGCSA-N 0 0 341.358 2.223 40 0 EEABRN CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2C)n1N ZINC000005605409 462664189 /nfs/dbraw/zinc/66/41/89/462664189.db2.gz NAXVEMDQZGYNDV-UHFFFAOYSA-N 0 0 325.825 2.247 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000006175215 462678015 /nfs/dbraw/zinc/67/80/15/462678015.db2.gz MWGPOBVJXYQXOS-AWEZNQCLSA-N 0 0 336.457 2.360 40 0 EEABRN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 ZINC000006680692 462696862 /nfs/dbraw/zinc/69/68/62/462696862.db2.gz CRVXPFVQFDAULF-UHFFFAOYSA-N 0 0 330.475 2.307 40 0 EEABRN O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Br)cc1 ZINC000006813568 462706390 /nfs/dbraw/zinc/70/63/90/462706390.db2.gz KSYNZSNRZWNVOD-UHFFFAOYSA-N 0 0 340.202 2.263 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)CC)cc1 ZINC000006880261 462709954 /nfs/dbraw/zinc/70/99/54/462709954.db2.gz LVGHMGLTTNEWFQ-CYBMUJFWSA-N 0 0 326.462 2.222 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000006946307 462713881 /nfs/dbraw/zinc/71/38/81/462713881.db2.gz RRGVUWMIRARPPD-ZDUSSCGKSA-N 0 0 342.461 2.074 40 0 EEABRN CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000006976971 462714712 /nfs/dbraw/zinc/71/47/12/462714712.db2.gz LVDKPSZWGPFAQH-UHFFFAOYSA-N 0 0 325.397 2.167 40 0 EEABRN O=C(Cc1ccccc1O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000089921012 462742036 /nfs/dbraw/zinc/74/20/36/462742036.db2.gz SIAYTRVGEDPLRV-INIZCTEOSA-N 0 0 338.407 2.100 40 0 EEABRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000047324087 462769824 /nfs/dbraw/zinc/76/98/24/462769824.db2.gz GGACKUVZINFWJR-NSHDSACASA-N 0 0 345.852 2.133 40 0 EEABRN COC1CCC(C(=O)N[C@@H](C)Cn2c3ccccc3oc2=O)CC1 ZINC000012142028 462845638 /nfs/dbraw/zinc/84/56/38/462845638.db2.gz YGZOLJUYUSMTAN-HSBZDZAISA-N 0 0 332.400 2.304 40 0 EEABRN O=C(Cc1ccccc1F)NCCn1nc(-c2ccco2)ccc1=O ZINC000012158044 462845667 /nfs/dbraw/zinc/84/56/67/462845667.db2.gz SDPKVVMGMOJGHY-UHFFFAOYSA-N 0 0 341.342 2.001 40 0 EEABRN CC(=O)c1cccc(NC(=O)NCc2nc(-c3cccnc3)n[nH]2)c1 ZINC000013565303 462895365 /nfs/dbraw/zinc/89/53/65/462895365.db2.gz MTVMIWFNTZROTB-UHFFFAOYSA-N 0 0 336.355 2.391 40 0 EEABRN C[C@H]1CC(=O)c2cnc(NC(=O)c3ccc4c(c3)OCO4)nc2C1 ZINC000013635962 462898524 /nfs/dbraw/zinc/89/85/24/462898524.db2.gz ZILFFNHSBVHDAH-SECBINFHSA-N 0 0 325.324 2.223 40 0 EEABRN CC[C@H](O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 ZINC000156162177 462987353 /nfs/dbraw/zinc/98/73/53/462987353.db2.gz RBDKCELQNOZOHU-VIFPVBQESA-N 0 0 334.323 2.424 40 0 EEABRN CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000016899965 462991528 /nfs/dbraw/zinc/99/15/28/462991528.db2.gz PZIXREQIQIGCQB-NSHDSACASA-N 0 0 327.789 2.268 40 0 EEABRN CCn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(C)=O)CC1 ZINC000019747047 463020799 /nfs/dbraw/zinc/02/07/99/463020799.db2.gz KRLJNHVFKWQMDJ-MRXNPFEDSA-N 0 0 332.448 2.156 40 0 EEABRN COc1ccccc1N1CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC000019937096 463022462 /nfs/dbraw/zinc/02/24/62/463022462.db2.gz ZWJFHUNTNWBSKK-UHFFFAOYSA-N 0 0 326.400 2.064 40 0 EEABRN CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000052411897 463077286 /nfs/dbraw/zinc/07/72/86/463077286.db2.gz ZLTSJZRAPFGJFA-ZDUSSCGKSA-N 0 0 334.441 2.375 40 0 EEABRN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000134814428 463084039 /nfs/dbraw/zinc/08/40/39/463084039.db2.gz DHMKUFLKFZTDTF-AWEZNQCLSA-N 0 0 342.399 2.197 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)COc1ccc(F)cc1)C2 ZINC000096039233 463143697 /nfs/dbraw/zinc/14/36/97/463143697.db2.gz BZXPKJDGOMFBCO-FUHWJXTLSA-N 0 0 337.391 2.249 40 0 EEABRN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000025903339 463144225 /nfs/dbraw/zinc/14/42/25/463144225.db2.gz YRIROFAITVPQLW-AAEUAGOBSA-N 0 0 344.864 2.189 40 0 EEABRN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cccs4)C[C@@H]32)n1 ZINC000096043454 463149334 /nfs/dbraw/zinc/14/93/34/463149334.db2.gz VPOKXOZTDOIDCS-JHJVBQTASA-N 0 0 333.413 2.474 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccsc4)C[C@H]3O2)[nH]1 ZINC000096046220 463150772 /nfs/dbraw/zinc/15/07/72/463150772.db2.gz PFUHSGODIQMIJV-BFHYXJOUSA-N 0 0 332.429 2.096 40 0 EEABRN COC[C@H]1CN(Cc2cccc(C)n2)Cc2nnn(CC3CC3)c21 ZINC000096045567 463150780 /nfs/dbraw/zinc/15/07/80/463150780.db2.gz NOVFUQCEPOOHBA-OAHLLOKOSA-N 0 0 327.432 2.137 40 0 EEABRN Fc1cccc(N2CCC[C@]3(C2)CN(c2ncccn2)CCO3)c1 ZINC000096049090 463153670 /nfs/dbraw/zinc/15/36/70/463153670.db2.gz MCFDDPWKBRKXIW-SFHVURJKSA-N 0 0 328.391 2.492 40 0 EEABRN O=C(N[C@H]1CN(Cc2ccsc2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC000096056359 463157907 /nfs/dbraw/zinc/15/79/07/463157907.db2.gz SKRBSGTYBRZGQA-ULQDDVLXSA-N 0 0 343.452 2.305 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC000096055462 463158061 /nfs/dbraw/zinc/15/80/61/463158061.db2.gz JXSQPIOJQZDNON-DJIMGWMZSA-N 0 0 339.395 2.175 40 0 EEABRN CN(Cc1ccco1)[C@@H]1CN(C(=O)c2ccc[nH]2)[C@@H]2CCCO[C@H]12 ZINC000096064577 463163564 /nfs/dbraw/zinc/16/35/64/463163564.db2.gz KWXDSESMIKTOHX-ZACQAIPSSA-N 0 0 329.400 2.112 40 0 EEABRN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(F)cc2)cn1 ZINC000096063981 463163708 /nfs/dbraw/zinc/16/37/08/463163708.db2.gz XRVQEWSFIZNLIG-DLBZAZTESA-N 0 0 328.391 2.048 40 0 EEABRN Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N4CCCCO4)O[C@@H]3C2)o1 ZINC000096066156 463164750 /nfs/dbraw/zinc/16/47/50/463164750.db2.gz VMGBPHHFCYVQNT-USXIJHARSA-N 0 0 334.416 2.121 40 0 EEABRN Cc1nc(CN2CCC[C@@]3(C2)CN(c2ncccn2)CCO3)cs1 ZINC000096074919 463168557 /nfs/dbraw/zinc/16/85/57/463168557.db2.gz NSUKLVMOCFAWRC-QGZVFWFLSA-N 0 0 345.472 2.113 40 0 EEABRN Cc1cccc(COC[C@@H]2CC3(CO2)CCN(C(=O)N(C)C)CC3)n1 ZINC000096110795 463180053 /nfs/dbraw/zinc/18/00/53/463180053.db2.gz JYPXHHRXKWSHOC-KRWDZBQOSA-N 0 0 347.459 2.459 40 0 EEABRN O=C(c1ccccn1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096187986 463199938 /nfs/dbraw/zinc/19/99/38/463199938.db2.gz MXORLEWJVOHBGN-HNNXBMFYSA-N 0 0 349.394 2.024 40 0 EEABRN CCn1ccc(NC(=O)[C@]2(C)CC(c3ccccc3OC)=NO2)n1 ZINC000096193052 463202035 /nfs/dbraw/zinc/20/20/35/463202035.db2.gz OBJRYHHAFWTZBN-KRWDZBQOSA-N 0 0 328.372 2.433 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 ZINC000096199928 463206250 /nfs/dbraw/zinc/20/62/50/463206250.db2.gz IVPOBSAHVFCSGK-MRXNPFEDSA-N 0 0 339.395 2.262 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC000096202993 463208510 /nfs/dbraw/zinc/20/85/10/463208510.db2.gz NOBIGWJHVASMAD-UHFFFAOYSA-N 0 0 339.370 2.490 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096209690 463213963 /nfs/dbraw/zinc/21/39/63/463213963.db2.gz JJUATWXSSWEAIQ-SJCJKPOMSA-N 0 0 347.346 2.051 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000096219126 463216921 /nfs/dbraw/zinc/21/69/21/463216921.db2.gz WZPFTCBPGYXEIY-RDTXWAMCSA-N 0 0 327.384 2.469 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000096222866 463218910 /nfs/dbraw/zinc/21/89/10/463218910.db2.gz OQAOSXNQENLYQM-VQIMIIECSA-N 0 0 340.427 2.296 40 0 EEABRN CN(Cc1ccccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC000096223498 463219654 /nfs/dbraw/zinc/21/96/54/463219654.db2.gz RSJSNVHSDVMUCB-PKOBYXMFSA-N 0 0 329.444 2.074 40 0 EEABRN O=C(c1ccc[nH]1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238809 463224784 /nfs/dbraw/zinc/22/47/84/463224784.db2.gz PBERZODPOUNEPF-SFHVURJKSA-N 0 0 327.359 2.423 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 ZINC000096246214 463226499 /nfs/dbraw/zinc/22/64/99/463226499.db2.gz YNJRWGWELLBKHH-LSDHHAIUSA-N 0 0 328.441 2.066 40 0 EEABRN Cc1ccc(CN2CCO[C@H]3CN(C(=O)c4cncc(C)c4)C[C@H]32)o1 ZINC000096248799 463226778 /nfs/dbraw/zinc/22/67/78/463226778.db2.gz YTYCGHFFGIBWNF-MSOLQXFVSA-N 0 0 341.411 2.017 40 0 EEABRN c1cncc(CN2CCCn3nnc(CN4CCCCC4)c3C2)c1 ZINC000096259608 463229673 /nfs/dbraw/zinc/22/96/73/463229673.db2.gz YXVGWYUYPDJXNX-UHFFFAOYSA-N 0 0 326.448 2.065 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000028687398 463231100 /nfs/dbraw/zinc/23/11/00/463231100.db2.gz LNFAAIKUBDIWQJ-UHFFFAOYSA-N 0 0 346.408 2.388 40 0 EEABRN FC(F)(F)c1cccc(CN2CCN(CCn3cncn3)CC2)c1 ZINC000096403568 463238037 /nfs/dbraw/zinc/23/80/37/463238037.db2.gz VYXJCXQDOOOKFN-UHFFFAOYSA-N 0 0 339.365 2.115 40 0 EEABRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCNC(=O)C1CC1 ZINC000096403483 463238308 /nfs/dbraw/zinc/23/83/08/463238308.db2.gz OXPBLXKWRQGYFQ-SNVBAGLBSA-N 0 0 344.333 2.115 40 0 EEABRN NC(=O)[C@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000096404731 463239576 /nfs/dbraw/zinc/23/95/76/463239576.db2.gz JPENEENUSKIHMJ-UWJYBYFXSA-N 0 0 327.211 2.431 40 0 EEABRN CC(C)(C)c1ccc([C@H](O)CNC(=O)CCN2CCCC2=O)cc1 ZINC000096407872 463241288 /nfs/dbraw/zinc/24/12/88/463241288.db2.gz BJVBIPFPARVABR-MRXNPFEDSA-N 0 0 332.444 2.146 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)[C@H]3Cc4ccccc4O3)CC2)n1 ZINC000096408205 463241513 /nfs/dbraw/zinc/24/15/13/463241513.db2.gz INFUVDOIHHIGTJ-GOSISDBHSA-N 0 0 337.423 2.479 40 0 EEABRN C[C@@H](c1ccc(NC(=O)NCc2cnn(C)c2)cc1)N1CCOCC1 ZINC000096410655 463243357 /nfs/dbraw/zinc/24/33/57/463243357.db2.gz PKMOJMDNHSNYLB-AWEZNQCLSA-N 0 0 343.431 2.135 40 0 EEABRN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nn1 ZINC000096411007 463243429 /nfs/dbraw/zinc/24/34/29/463243429.db2.gz PPWGNXIIGLIODN-CYBMUJFWSA-N 0 0 330.432 2.361 40 0 EEABRN C[C@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(F)cc1 ZINC000096413460 463246187 /nfs/dbraw/zinc/24/61/87/463246187.db2.gz CBYAJXIVOOLJJE-BUBHHJDNSA-N 0 0 348.399 2.379 40 0 EEABRN CC(C)(CCS(C)(=O)=O)CNC(=O)NCc1ccc(F)cc1 ZINC000096415147 463248308 /nfs/dbraw/zinc/24/83/08/463248308.db2.gz DXYSTIKNGCGVDG-UHFFFAOYSA-N 0 0 330.425 2.086 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000096417721 463249064 /nfs/dbraw/zinc/24/90/64/463249064.db2.gz ZHRILZYOYFFBHJ-LBPRGKRZSA-N 0 0 333.823 2.351 40 0 EEABRN O=C(CCc1ccccn1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096418513 463250358 /nfs/dbraw/zinc/25/03/58/463250358.db2.gz WYWKFYBICQLCKT-UHFFFAOYSA-N 0 0 347.422 2.306 40 0 EEABRN Cc1ccc(CCNC(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 ZINC000096420258 463252113 /nfs/dbraw/zinc/25/21/13/463252113.db2.gz PVMPCCDGVXDKAS-UHFFFAOYSA-N 0 0 326.400 2.456 40 0 EEABRN Cc1ccccc1C(C)(C)CNC(=O)NC[C@@](C)(O)c1cnn(C)c1 ZINC000096421498 463253193 /nfs/dbraw/zinc/25/31/93/463253193.db2.gz ZXSHJJVAGFBHAO-LJQANCHMSA-N 0 0 344.459 2.213 40 0 EEABRN Cc1ccc(Br)cc1C(=O)NCC(=O)NCC(C)C ZINC000096425088 463254858 /nfs/dbraw/zinc/25/48/58/463254858.db2.gz QYHNFCFZJIBQKS-UHFFFAOYSA-N 0 0 327.222 2.260 40 0 EEABRN CCc1noc(CN(C)C(=O)Cc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000096426376 463255602 /nfs/dbraw/zinc/25/56/02/463255602.db2.gz VETMWTXXRJNICS-UHFFFAOYSA-N 0 0 343.362 2.158 40 0 EEABRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000096426820 463255772 /nfs/dbraw/zinc/25/57/72/463255772.db2.gz DGVLKIKIGYUTTB-SNVBAGLBSA-N 0 0 349.378 2.406 40 0 EEABRN CS(=O)(=O)c1ccccc1N1CCN(Cc2cccc(O)c2)CC1 ZINC000096429370 463259025 /nfs/dbraw/zinc/25/90/25/463259025.db2.gz UMEQNTMOXAEROZ-UHFFFAOYSA-N 0 0 346.452 2.118 40 0 EEABRN CC(C)[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCS1 ZINC000096428759 463259093 /nfs/dbraw/zinc/25/90/93/463259093.db2.gz DXKNEFFBLCUGQJ-LBPRGKRZSA-N 0 0 325.459 2.325 40 0 EEABRN O=C1NC2(CCCC2)C(=O)N1CCn1c(=O)sc2c1CCCCC2 ZINC000096428916 463259357 /nfs/dbraw/zinc/25/93/57/463259357.db2.gz GXPHGPMGMXDBLX-UHFFFAOYSA-N 0 0 349.456 2.043 40 0 EEABRN CCO[C@@H]1C[C@H](Nc2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096429822 463259552 /nfs/dbraw/zinc/25/95/52/463259552.db2.gz YOLQTXXGWQFJFI-UONOGXRCSA-N 0 0 331.420 2.420 40 0 EEABRN COc1c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(C)nn1C ZINC000096432897 463261006 /nfs/dbraw/zinc/26/10/06/463261006.db2.gz NGIQELDOULZSSA-CVEARBPZSA-N 0 0 343.427 2.465 40 0 EEABRN O=C(c1cccc2cc[nH]c21)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000096436114 463264001 /nfs/dbraw/zinc/26/40/01/463264001.db2.gz DOUDPRWMYAJUDU-UHFFFAOYSA-N 0 0 349.390 2.472 40 0 EEABRN CCc1cc(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)n[nH]1 ZINC000096436232 463264015 /nfs/dbraw/zinc/26/40/15/463264015.db2.gz AVGCTTIMJXVLES-MRXNPFEDSA-N 0 0 332.379 2.123 40 0 EEABRN Cc1ccc(-n2ccnc2)c(C(=O)NCCOC[C@@H]2CCCO2)c1 ZINC000096436557 463264684 /nfs/dbraw/zinc/26/46/84/463264684.db2.gz PNDGAWYRYIXUHR-HNNXBMFYSA-N 0 0 329.400 2.106 40 0 EEABRN CC[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC000096439251 463265618 /nfs/dbraw/zinc/26/56/18/463265618.db2.gz VTJVDLDVLSYLLM-NWDGAFQWSA-N 0 0 339.427 2.408 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)NCCCc2nc(C)no2)C12CCCC2 ZINC000096439743 463265626 /nfs/dbraw/zinc/26/56/26/463265626.db2.gz RITBUXKUTAAZJE-KGLIPLIRSA-N 0 0 336.436 2.348 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccn(C(C)C)n1 ZINC000096440721 463267190 /nfs/dbraw/zinc/26/71/90/463267190.db2.gz YEEBKZHSRAWLAU-GFCCVEGCSA-N 0 0 332.452 2.245 40 0 EEABRN C[C@@H]1COC[C@H](C)N1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443466 463268365 /nfs/dbraw/zinc/26/83/65/463268365.db2.gz VWHAIBXPNKBKCV-BETUJISGSA-N 0 0 333.457 2.064 40 0 EEABRN CCc1cnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000096443485 463268647 /nfs/dbraw/zinc/26/86/47/463268647.db2.gz PEQUBEKLAPXBGL-HNNXBMFYSA-N 0 0 330.457 2.054 40 0 EEABRN CC[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)Oc1ccccc1Cl ZINC000096451820 463273100 /nfs/dbraw/zinc/27/31/00/463273100.db2.gz JWSLDBZMPGYDHH-QWHCGFSZSA-N 0 0 338.835 2.482 40 0 EEABRN Cc1cc(N2CCC(NC(=O)NCc3ccco3)CC2)nc(C)n1 ZINC000096454984 463275580 /nfs/dbraw/zinc/27/55/80/463275580.db2.gz XUUPOKPDRVJBHC-UHFFFAOYSA-N 0 0 329.404 2.155 40 0 EEABRN CCc1noc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)n1 ZINC000096476742 463279784 /nfs/dbraw/zinc/27/97/84/463279784.db2.gz OEVJASBGRUNXQG-UHFFFAOYSA-N 0 0 341.371 2.303 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCOC1 ZINC000096496077 463289522 /nfs/dbraw/zinc/28/95/22/463289522.db2.gz KOMKIDIZLLXZPT-SKDRFNHKSA-N 0 0 333.354 2.461 40 0 EEABRN COC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000096500254 463290287 /nfs/dbraw/zinc/29/02/87/463290287.db2.gz ADSFPKAIRFXYDG-CABCVRRESA-N 0 0 348.418 2.372 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1cccc(F)c1 ZINC000096521400 463294151 /nfs/dbraw/zinc/29/41/51/463294151.db2.gz ZCVWERPWQZECQY-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000097095124 463321327 /nfs/dbraw/zinc/32/13/27/463321327.db2.gz CSLNQFXSACQXKA-DOMZBBRYSA-N 0 0 349.406 2.031 40 0 EEABRN C[S@@](=O)c1ccc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000097378529 463357545 /nfs/dbraw/zinc/35/75/45/463357545.db2.gz YCKYJVCWXATKKR-UBMNLSNXSA-N 0 0 336.457 2.181 40 0 EEABRN COc1cccc(OCCNC(=O)[C@@H](c2ccccc2)N(C)C)c1 ZINC000144796720 463377839 /nfs/dbraw/zinc/37/78/39/463377839.db2.gz HPBYBFWKONHGPU-GOSISDBHSA-N 0 0 328.412 2.493 40 0 EEABRN C[C@H]1CN(C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)O1 ZINC000033316606 463420742 /nfs/dbraw/zinc/42/07/42/463420742.db2.gz LFWNIUOTZOBTQS-OBJOEFQTSA-N 0 0 344.249 2.298 40 0 EEABRN CCOC(=O)Cc1nc(COc2ccc(Br)cc2)n[nH]1 ZINC000040175852 463454373 /nfs/dbraw/zinc/45/43/73/463454373.db2.gz IMSAAVCUFXFXCH-UHFFFAOYSA-N 0 0 340.177 2.252 40 0 EEABRN CC(C)(NS(C)(=O)=O)c1nc(-c2ccc(F)cc2Cl)no1 ZINC000081534028 463454993 /nfs/dbraw/zinc/45/49/93/463454993.db2.gz SXRVGVDLIHKYRY-UHFFFAOYSA-N 0 0 333.772 2.313 40 0 EEABRN NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1 ZINC000041127342 463468470 /nfs/dbraw/zinc/46/84/70/463468470.db2.gz UHSYCYIYBOJRGG-UHFFFAOYSA-N 0 0 334.397 2.220 40 0 EEABRN Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000041122236 463468771 /nfs/dbraw/zinc/46/87/71/463468771.db2.gz CQVSFCDOGRHWOJ-LLVKDONJSA-N 0 0 325.365 2.085 40 0 EEABRN NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000057327106 463479286 /nfs/dbraw/zinc/47/92/86/463479286.db2.gz AYOWFXHTWALABV-LLVKDONJSA-N 0 0 339.326 2.472 40 0 EEABRN CC(C)(C)OC(=O)Cn1nc(Br)nc1Br ZINC000071978816 463479645 /nfs/dbraw/zinc/47/96/45/463479645.db2.gz XDWRDIMNXOSKFA-UHFFFAOYSA-N 0 0 341.003 2.145 40 0 EEABRN COC[C@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)C1 ZINC000081759125 463488333 /nfs/dbraw/zinc/48/83/33/463488333.db2.gz QQZIPVINYASIEC-AWEZNQCLSA-N 0 0 344.386 2.475 40 0 EEABRN CCn1cc(NC(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 ZINC000041549535 463493647 /nfs/dbraw/zinc/49/36/47/463493647.db2.gz HTAWEHBGNKNDIR-OAHLLOKOSA-N 0 0 334.763 2.285 40 0 EEABRN Cc1cccnc1CN1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395024 463509919 /nfs/dbraw/zinc/50/99/19/463509919.db2.gz KAQPAYFHTKJOKS-XLIONFOSSA-N 0 0 335.407 2.207 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000058048403 463537487 /nfs/dbraw/zinc/53/74/87/463537487.db2.gz LYOQSZBFEISYCI-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000106823312 463540899 /nfs/dbraw/zinc/54/08/99/463540899.db2.gz GJQQPLWLHACTJV-MRXNPFEDSA-N 0 0 337.423 2.161 40 0 EEABRN CS(=O)(=O)c1ccc(NCCC2CCCC2)c(S(C)(=O)=O)c1 ZINC000058166098 463546762 /nfs/dbraw/zinc/54/67/62/463546762.db2.gz LQASEPMJOHKILF-UHFFFAOYSA-N 0 0 345.486 2.486 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000163026849 463557338 /nfs/dbraw/zinc/55/73/38/463557338.db2.gz WTFASLRYCMXKKK-HNNXBMFYSA-N 0 0 339.443 2.133 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCc2cccnc2)c(Br)c1 ZINC000042646409 463583131 /nfs/dbraw/zinc/58/31/31/463583131.db2.gz XIZISYUSKOAPBF-UHFFFAOYSA-N 0 0 348.200 2.407 40 0 EEABRN Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108533056 463610162 /nfs/dbraw/zinc/61/01/62/463610162.db2.gz IDZFLUCOZYJSLO-XLIONFOSSA-N 0 0 343.471 2.241 40 0 EEABRN COc1cccc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 ZINC000044246702 463671612 /nfs/dbraw/zinc/67/16/12/463671612.db2.gz OXWMNWHZNJSODQ-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN COc1ccc(-n2cnnc2SCC(=O)Nc2nccs2)cc1 ZINC000044865965 463696527 /nfs/dbraw/zinc/69/65/27/463696527.db2.gz NUPHNYYIACFWTH-UHFFFAOYSA-N 0 0 347.425 2.463 40 0 EEABRN CN1CC(=O)N(CCCC(=O)Nc2nc(C(C)(C)C)cs2)C1=O ZINC000044869370 463696827 /nfs/dbraw/zinc/69/68/27/463696827.db2.gz VWTDEDCNOANARU-UHFFFAOYSA-N 0 0 338.433 2.053 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000044890069 463698522 /nfs/dbraw/zinc/69/85/22/463698522.db2.gz PYBCYSCGULTJEG-CYBMUJFWSA-N 0 0 342.399 2.180 40 0 EEABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCOCC2)c1 ZINC000044901188 463700329 /nfs/dbraw/zinc/70/03/29/463700329.db2.gz OKKWFJPFWYBDII-KRWDZBQOSA-N 0 0 334.460 2.218 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N(C)c1cnn(C)c1 ZINC000185021121 463737092 /nfs/dbraw/zinc/73/70/92/463737092.db2.gz UOCMBEXNXYECPS-UHFFFAOYSA-N 0 0 344.234 2.316 40 0 EEABRN C[C@H](C(=O)NCc1ccncc1)n1cc(COc2ccccc2)nn1 ZINC000257173035 463756096 /nfs/dbraw/zinc/75/60/96/463756096.db2.gz AYEHISYGIBOKAE-CQSZACIVSA-N 0 0 337.383 2.130 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)ccn1 ZINC000257290863 463764579 /nfs/dbraw/zinc/76/45/79/463764579.db2.gz QEQHLLIORYINOI-MRXNPFEDSA-N 0 0 336.399 2.396 40 0 EEABRN Cc1c(CCC(=O)NCc2cnc([C@H]3CCCCO3)nc2)cnn1C ZINC000257290773 463765001 /nfs/dbraw/zinc/76/50/01/463765001.db2.gz QEHBBWMTQWOMSR-MRXNPFEDSA-N 0 0 343.431 2.009 40 0 EEABRN CCn1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 ZINC000257300876 463769376 /nfs/dbraw/zinc/76/93/76/463769376.db2.gz RWAIMVXFZPDTQE-HKUYNNGSSA-N 0 0 328.412 2.417 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 ZINC000257311662 463773272 /nfs/dbraw/zinc/77/32/72/463773272.db2.gz UKNLJMLTAMBTDJ-OAHLLOKOSA-N 0 0 337.427 2.484 40 0 EEABRN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257316383 463774972 /nfs/dbraw/zinc/77/49/72/463774972.db2.gz VFJOPGNVJPQZPF-OAHLLOKOSA-N 0 0 329.400 2.328 40 0 EEABRN CCc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O ZINC000260904039 463792821 /nfs/dbraw/zinc/79/28/21/463792821.db2.gz ZYGIFLWNJGPMBD-CYBMUJFWSA-N 0 0 326.462 2.176 40 0 EEABRN Cc1csc(CNc2ccc(C(=O)NCCO)c(Cl)c2)n1 ZINC000194348025 463842704 /nfs/dbraw/zinc/84/27/04/463842704.db2.gz OCRGPHXBQIQWIR-UHFFFAOYSA-N 0 0 325.821 2.439 40 0 EEABRN O=c1cc(CO)occ1OCc1ccn(-c2ccc(F)cc2F)n1 ZINC000194653031 463902912 /nfs/dbraw/zinc/90/29/12/463902912.db2.gz LTLOJOYXKGCDER-UHFFFAOYSA-N 0 0 334.278 2.175 40 0 EEABRN CN(C)c1noc(CSc2nncn2CCc2cccs2)n1 ZINC000194684983 463909043 /nfs/dbraw/zinc/90/90/43/463909043.db2.gz KQHFBZKUNGRPPK-UHFFFAOYSA-N 0 0 336.446 2.324 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000195296944 464034237 /nfs/dbraw/zinc/03/42/37/464034237.db2.gz OLHBIFSDAOLGQC-DFBGVHRSSA-N 0 0 325.430 2.095 40 0 EEABRN CC(=O)N1CCc2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)c21 ZINC000195540369 464072944 /nfs/dbraw/zinc/07/29/44/464072944.db2.gz ZWXOCUNDQUYIQS-SUMWQHHRSA-N 0 0 344.459 2.400 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000195572574 464078852 /nfs/dbraw/zinc/07/88/52/464078852.db2.gz JKVXOSOORWDXDM-VXGBXAGGSA-N 0 0 345.447 2.432 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O ZINC000205675034 464097754 /nfs/dbraw/zinc/09/77/54/464097754.db2.gz IURNHYIHMCXLOI-XYOKQWHBSA-N 0 0 349.364 2.073 40 0 EEABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223257315 464139709 /nfs/dbraw/zinc/13/97/09/464139709.db2.gz QGILDIMMPLKIDM-IBGZPJMESA-N 0 0 340.423 2.401 40 0 EEABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000223302403 464140787 /nfs/dbraw/zinc/14/07/87/464140787.db2.gz OCFGHUKWRCFDAP-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000223302332 464141183 /nfs/dbraw/zinc/14/11/83/464141183.db2.gz JNJCWWHHDJJKRH-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224220224 464149591 /nfs/dbraw/zinc/14/95/91/464149591.db2.gz LRUHDZWLSCOCLZ-UHFFFAOYSA-N 0 0 348.424 2.188 40 0 EEABRN CCCCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224897335 464152381 /nfs/dbraw/zinc/15/23/81/464152381.db2.gz VJPUBGAUNMQELM-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN CCOC(=O)c1cnc(NC(=S)NCCc2ccccc2)nc1C ZINC000225196653 464154215 /nfs/dbraw/zinc/15/42/15/464154215.db2.gz OSBYQLMEEYPOJH-UHFFFAOYSA-N 0 0 344.440 2.491 40 0 EEABRN CN(C)c1cncc(O[C@H]2CCN(C(=O)Nc3cccs3)C2)n1 ZINC000225406706 464157686 /nfs/dbraw/zinc/15/76/86/464157686.db2.gz LNOQERPLNWVFNY-NSHDSACASA-N 0 0 333.417 2.289 40 0 EEABRN O=S(=O)(c1ccc(F)s1)N1CCN(c2ccccc2)CC1 ZINC000225389025 464157782 /nfs/dbraw/zinc/15/77/82/464157782.db2.gz XSVLRJXSZRFHRP-UHFFFAOYSA-N 0 0 326.418 2.398 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1 ZINC000225430760 464159579 /nfs/dbraw/zinc/15/95/79/464159579.db2.gz FGYOSYLUQNVBCQ-OAHLLOKOSA-N 0 0 330.363 2.287 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CCc2cccn2C)C[C@@H]1C ZINC000225585592 464173885 /nfs/dbraw/zinc/17/38/85/464173885.db2.gz NHRIUZOCQBOARB-SQWLQELKSA-N 0 0 335.448 2.187 40 0 EEABRN C[C@@](O)(CNC(=O)NCc1nccn1C(F)F)C1CCCCC1 ZINC000188289454 464245420 /nfs/dbraw/zinc/24/54/20/464245420.db2.gz VTRVDEARKRAEMR-OAHLLOKOSA-N 0 0 330.379 2.409 40 0 EEABRN CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(Br)o1 ZINC000238828074 464438380 /nfs/dbraw/zinc/43/83/80/464438380.db2.gz FFTDKKXFZWIMTK-SECBINFHSA-N 0 0 327.182 2.088 40 0 EEABRN Cc1cccc(O[C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000238878053 464440572 /nfs/dbraw/zinc/44/05/72/464440572.db2.gz OODRQNHEMDKQND-AWEZNQCLSA-N 0 0 340.379 2.455 40 0 EEABRN CC(C)[C@@H](Cn1nccn1)NC(=O)c1cccc(Br)c1 ZINC000240178553 464445537 /nfs/dbraw/zinc/44/55/37/464445537.db2.gz YZYMYJCRLCBAJU-CYBMUJFWSA-N 0 0 337.221 2.495 40 0 EEABRN O=C(c1ncn(-c2ccccc2)n1)N1CCCCC[C@@H]1c1ncon1 ZINC000189630066 464533865 /nfs/dbraw/zinc/53/38/65/464533865.db2.gz AVRCERXJUZBMJQ-CQSZACIVSA-N 0 0 338.371 2.408 40 0 EEABRN NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000247702579 464702888 /nfs/dbraw/zinc/70/28/88/464702888.db2.gz AVVSNAYJBVXNLV-TUAOUCFPSA-N 0 0 342.317 2.165 40 0 EEABRN C[C@H](NC(=O)c1ccco1)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000273131803 464705682 /nfs/dbraw/zinc/70/56/82/464705682.db2.gz ZZQQLJLUCDQQLU-STQMWFEESA-N 0 0 328.368 2.208 40 0 EEABRN COc1ncccc1CN1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000247814576 464707502 /nfs/dbraw/zinc/70/75/02/464707502.db2.gz ALBNDEMBYHUAGI-INIZCTEOSA-N 0 0 341.411 2.155 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NC1CCCC1)CN(Cc1nccs1)C2 ZINC000248003343 464723006 /nfs/dbraw/zinc/72/30/06/464723006.db2.gz BHTXOOVYYUQYBG-CYBMUJFWSA-N 0 0 345.472 2.035 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)n(C)n1 ZINC000248061859 464726593 /nfs/dbraw/zinc/72/65/93/464726593.db2.gz VAAOTVORSIZFGA-SFHVURJKSA-N 0 0 342.443 2.074 40 0 EEABRN C[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000248822981 464805829 /nfs/dbraw/zinc/80/58/29/464805829.db2.gz CCQRXFNJYCDKLR-GJZGRUSLSA-N 0 0 327.428 2.209 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N[C@H]3[C@@H]4CCCC[C@@H]43)cc2oc1=O ZINC000249692359 464904619 /nfs/dbraw/zinc/90/46/19/464904619.db2.gz MJQQMLGHBMEAPK-JYAVWHMHSA-N 0 0 336.413 2.081 40 0 EEABRN Cc1nc(CN2CCCN(c3ncnc4onc(C)c43)CC2)cs1 ZINC000192451430 464928496 /nfs/dbraw/zinc/92/84/96/464928496.db2.gz JCHFOJKAPFBKTE-UHFFFAOYSA-N 0 0 344.444 2.403 40 0 EEABRN C[S@](=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000252477298 464959352 /nfs/dbraw/zinc/95/93/52/464959352.db2.gz LQNVSHDHIPSDRL-DXMSMQRWSA-N 0 0 342.420 2.035 40 0 EEABRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cscn1 ZINC000252490997 464966344 /nfs/dbraw/zinc/96/63/44/464966344.db2.gz LHRKACHQGDYDLB-CQSZACIVSA-N 0 0 331.397 2.313 40 0 EEABRN COCC1(NC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CCC1 ZINC000252495236 464967890 /nfs/dbraw/zinc/96/78/90/464967890.db2.gz OOCYRYAHTGTECH-UHFFFAOYSA-N 0 0 332.404 2.215 40 0 EEABRN C[C@H](C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccccn1 ZINC000252497813 464969918 /nfs/dbraw/zinc/96/99/18/464969918.db2.gz QRFCXRFBERTXDQ-SUMWQHHRSA-N 0 0 349.394 2.404 40 0 EEABRN CN(C)c1cccc(CCC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000253392583 464998010 /nfs/dbraw/zinc/99/80/10/464998010.db2.gz AMEFAJSJKCGELJ-LPHOPBHVSA-N 0 0 332.444 2.140 40 0 EEABRN O=C(c1ccc2[nH]c(=O)[nH]c2n1)N(Cc1ccco1)Cc1ccco1 ZINC000253406333 465003262 /nfs/dbraw/zinc/00/32/62/465003262.db2.gz YCBXCSSFAGZCLX-UHFFFAOYSA-N 0 0 338.323 2.280 40 0 EEABRN CCc1cnc(CCNC(=O)N2CCC[C@H]2c2noc(C)n2)s1 ZINC000253418045 465006024 /nfs/dbraw/zinc/00/60/24/465006024.db2.gz WTRQHBHKCZYQPM-LBPRGKRZSA-N 0 0 335.433 2.486 40 0 EEABRN Cc1cc(C)n2c(CN3CCN(Cc4ccncc4)CC3)cnc2n1 ZINC000184715442 465021010 /nfs/dbraw/zinc/02/10/10/465021010.db2.gz JCAKZUJRUFIFFR-UHFFFAOYSA-N 0 0 336.443 2.059 40 0 EEABRN Cc1c(S(=O)(=O)N2CCC(c3ccc(C)nc3)CC2)cnn1C ZINC000330162790 465554068 /nfs/dbraw/zinc/55/40/68/465554068.db2.gz ALVJWJMBSYXLAB-UHFFFAOYSA-N 0 0 334.445 2.000 40 0 EEABRN Cc1cc(CN2Cc3ccnn3[C@@H](COc3ncccc3F)C2)no1 ZINC000306123844 466486783 /nfs/dbraw/zinc/48/67/83/466486783.db2.gz AYJCYAXLBIOWBB-OAHLLOKOSA-N 0 0 343.362 2.350 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000306126265 466488897 /nfs/dbraw/zinc/48/88/97/466488897.db2.gz DRBSVTRIRWSVBJ-PCKAHOCUSA-N 0 0 348.418 2.354 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3CCN(c4ccccn4)[C@H]3CC2)cn1 ZINC000306139130 466494716 /nfs/dbraw/zinc/49/47/16/466494716.db2.gz SQASBJKEUVVWQH-RDJZCZTQSA-N 0 0 337.427 2.311 40 0 EEABRN COc1nnc(NC(=O)N2CCC(OC3CCCCC3)CC2)s1 ZINC000332315505 466503253 /nfs/dbraw/zinc/50/32/53/466503253.db2.gz PEPABOJOSAHAIE-UHFFFAOYSA-N 0 0 340.449 2.892 40 0 EEABRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000408733220 466682701 /nfs/dbraw/zinc/68/27/01/466682701.db2.gz GKEQSTZZVHEXKT-LPWQTFTOSA-N 0 0 335.359 2.035 40 0 EEABRN O=C(Cn1cc(C=C2SC(=O)NC2=O)c2ccccc21)NC1CC1 ZINC000409127751 466685503 /nfs/dbraw/zinc/68/55/03/466685503.db2.gz RFDAVFDBFXQRRA-AUWJEWJLSA-N 0 0 341.392 2.244 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000409409866 466688051 /nfs/dbraw/zinc/68/80/51/466688051.db2.gz JRIASJZUSUIUHW-CQSZACIVSA-N 0 0 326.462 2.312 40 0 EEABRN C[C@H](C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)n1cncn1 ZINC000390835387 467414995 /nfs/dbraw/zinc/41/49/95/467414995.db2.gz MGNBXEIOHGBHCY-NOZJJQNGSA-N 0 0 343.214 2.386 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C3CC3)C2)o1 ZINC000408175454 467522371 /nfs/dbraw/zinc/52/23/71/467522371.db2.gz STWGAYHZCDIHEP-LBPRGKRZSA-N 0 0 336.417 2.083 40 0 EEABRN Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408342189 467546392 /nfs/dbraw/zinc/54/63/92/467546392.db2.gz JQXORIIXOVUUMG-RAZYDLHHSA-N 0 0 331.441 2.162 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000575402631 468140620 /nfs/dbraw/zinc/14/06/20/468140620.db2.gz DFFDSTUKYFKJGR-YMAMQOFZSA-N 0 0 336.432 2.433 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@H]4C)C3)C2)cs1 ZINC000575403730 468141717 /nfs/dbraw/zinc/14/17/17/468141717.db2.gz JINVJGWKJNTDLO-KCPJHIHWSA-N 0 0 336.457 2.384 40 0 EEABRN CC(C)CCC(=O)N1CC2(C1)CC[C@H](CN1CCCCC1=O)CO2 ZINC000575404274 468141828 /nfs/dbraw/zinc/14/18/28/468141828.db2.gz ARWKPAWOUHDJCP-MRXNPFEDSA-N 0 0 336.476 2.443 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@H]4C)C3)C2)c1 ZINC000575406414 468142666 /nfs/dbraw/zinc/14/26/66/468142666.db2.gz OUNLWTVBHCURHL-OIISXLGYSA-N 0 0 330.428 2.323 40 0 EEABRN COc1ncccc1C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575605651 468146132 /nfs/dbraw/zinc/14/61/32/468146132.db2.gz RNKKUIQYVUZXJZ-GFCCVEGCSA-N 0 0 348.790 2.217 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000575607484 468146622 /nfs/dbraw/zinc/14/66/22/468146622.db2.gz NKIXECMRDGXDAY-QGZVFWFLSA-N 0 0 344.436 2.392 40 0 EEABRN COc1ccccc1C1(C(=O)N[C@H](Cn2ccnn2)C(C)C)CC1 ZINC000575609337 468147557 /nfs/dbraw/zinc/14/75/57/468147557.db2.gz WDSDACOAOXZISE-OAHLLOKOSA-N 0 0 328.416 2.159 40 0 EEABRN CN1CC[C@]2(CN(C(=O)c3ccccc3F)CC(F)(F)C2)C1=O ZINC000585093399 468963729 /nfs/dbraw/zinc/96/37/29/468963729.db2.gz UTCUQVDGAUKNFV-HNNXBMFYSA-N 0 0 326.318 2.155 40 0 EEABRN CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 ZINC000585096009 468964766 /nfs/dbraw/zinc/96/47/66/468964766.db2.gz XWXNBTFUHWDDOC-HNNXBMFYSA-N 0 0 344.415 2.256 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1ccnc3ccccc31)[C@@H]2C ZINC000585097396 468965696 /nfs/dbraw/zinc/96/56/96/468965696.db2.gz KWVIFKFCLPQJMR-GFCCVEGCSA-N 0 0 337.383 2.190 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)C1CCC1 ZINC000585112670 468975086 /nfs/dbraw/zinc/97/50/86/468975086.db2.gz VDNAUWYQQVRKKW-HNNXBMFYSA-N 0 0 328.416 2.339 40 0 EEABRN CC(C)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N)n3)C2)cc1 ZINC000585141153 468990746 /nfs/dbraw/zinc/99/07/46/468990746.db2.gz QOXDFGKFISAVEB-AWEZNQCLSA-N 0 0 326.400 2.518 40 0 EEABRN CNC(=O)CC[C@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000585277235 469001551 /nfs/dbraw/zinc/00/15/51/469001551.db2.gz HDBIWJMSZYJLHU-MRXNPFEDSA-N 0 0 328.815 2.332 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1Cc1ccccc1F ZINC000585277207 469001798 /nfs/dbraw/zinc/00/17/98/469001798.db2.gz NEQAEDRZKDWJSK-IRXDYDNUSA-N 0 0 329.375 2.478 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000585279157 469004212 /nfs/dbraw/zinc/00/42/12/469004212.db2.gz UXXNMJPGWPEHFT-GOSISDBHSA-N 0 0 348.418 2.130 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000585279270 469004592 /nfs/dbraw/zinc/00/45/92/469004592.db2.gz VUEWFERFWMOCLC-INIZCTEOSA-N 0 0 342.798 2.366 40 0 EEABRN CO[C@H]1CN(C(=O)Cc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279894 469005958 /nfs/dbraw/zinc/00/59/58/469005958.db2.gz SZLMZFPKIUJJIK-WBVHZDCISA-N 0 0 329.400 2.027 40 0 EEABRN CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)NCc1ccccc1Cl ZINC000585280331 469008187 /nfs/dbraw/zinc/00/81/87/469008187.db2.gz FOICESDSBINVIZ-GDBMZVCRSA-N 0 0 338.835 2.230 40 0 EEABRN CC[C@@H](C)n1nc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1C ZINC000679188211 485609711 /nfs/dbraw/zinc/60/97/11/485609711.db2.gz WBTLOSFQOBJKOL-DYVFJYSZSA-N 0 0 340.427 2.476 40 0 EEABRN CCOc1ncccc1C(=O)N1CC[C@@H](Oc2nc(C)cc(C)n2)C1 ZINC000390827347 485667637 /nfs/dbraw/zinc/66/76/37/485667637.db2.gz GIJZWZOEFAMOQY-CQSZACIVSA-N 0 0 342.399 2.181 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@@H](Oc2nc(C)cc(C)n2)C1 ZINC000390827150 485667791 /nfs/dbraw/zinc/66/77/91/485667791.db2.gz FEPLBJZUNONDLI-MRXNPFEDSA-N 0 0 341.411 2.324 40 0 EEABRN Cc1noc(C)c1CC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000171393680 534335208 /nfs/dbraw/zinc/33/52/08/534335208.db2.gz QIFZYUOLLPZSNA-HNNXBMFYSA-N 0 0 342.317 2.400 40 0 EEABRN O=C(Nc1ccnn1C[C@H]1CCOC1)NC1Cc2ccccc2C1 ZINC000159355391 534428458 /nfs/dbraw/zinc/42/84/58/534428458.db2.gz GQQFOFCWFWONAC-CYBMUJFWSA-N 0 0 326.400 2.209 40 0 EEABRN O=C(c1ccc(Br)o1)N1CCC(n2ccnn2)CC1 ZINC000155597981 534693957 /nfs/dbraw/zinc/69/39/57/534693957.db2.gz TVQQHVGUPIZNHX-UHFFFAOYSA-N 0 0 325.166 2.111 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096474861 524517411 /nfs/dbraw/zinc/51/74/11/524517411.db2.gz VDTJDFPEBJLXRD-MNOVXSKESA-N 0 0 348.415 2.191 40 0 EEABRN O=C1[C@H](Sc2nc[nH]n2)CCN1c1cccc(Br)c1 ZINC000191919052 534846288 /nfs/dbraw/zinc/84/62/88/534846288.db2.gz VVKFBTYQZIZNMW-SNVBAGLBSA-N 0 0 339.218 2.465 40 0 EEABRN CC(=O)NC[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000179718892 526783161 /nfs/dbraw/zinc/78/31/61/526783161.db2.gz SMYAHSCVIAHBSI-CYBMUJFWSA-N 0 0 334.313 2.181 40 0 EEABRN O=S1(=O)CCN(Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc21 ZINC000390835537 527307661 /nfs/dbraw/zinc/30/76/61/527307661.db2.gz PZDXRDCMLAPWNN-UHFFFAOYSA-N 0 0 343.408 2.459 40 0 EEABRN CCN1C[C@H](C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1=O ZINC000131876235 527955463 /nfs/dbraw/zinc/95/54/63/527955463.db2.gz LHCZZFSPRDHVME-BXKDBHETSA-N 0 0 345.226 2.011 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cccnc1C)CC2 ZINC000191561292 528387312 /nfs/dbraw/zinc/38/73/12/528387312.db2.gz SAIPSLNAWXGXAM-UHFFFAOYSA-N 0 0 331.441 2.251 40 0 EEABRN CC(C)(C(=O)N1CCO[C@@H](c2cnccn2)C1)c1ccc(F)cc1 ZINC000257215019 535026144 /nfs/dbraw/zinc/02/61/44/535026144.db2.gz COIKMOFUSVLFFI-MRXNPFEDSA-N 0 0 329.375 2.493 40 0 EEABRN CCC(CC)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225833890 535075184 /nfs/dbraw/zinc/07/51/84/535075184.db2.gz MKLWHIWQTIEOMX-LBPRGKRZSA-N 0 0 342.461 2.155 40 0 EEABRN CN(C)c1cccc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 ZINC000257235652 536151619 /nfs/dbraw/zinc/15/16/19/536151619.db2.gz GYUBNPXHIMDVFV-MRXNPFEDSA-N 0 0 347.459 2.133 40 0 EEABRN CN(C)c1cccc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257206674 536151811 /nfs/dbraw/zinc/15/18/11/536151811.db2.gz BELYXXVVEQBFMB-QGZVFWFLSA-N 0 0 340.427 2.075 40 0 EEABRN CCc1ccc2c(c1)CCN2C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000895603235 684657243 /nfs/dbraw/zinc/65/72/43/684657243.db2.gz VFSLCDPCYPXIFJ-HNNXBMFYSA-N 0 0 341.415 2.491 40 0 EEABRN COc1ccccc1CNC(=O)c1nn(C)c(C)c1Br ZINC000028225283 1352373996 /nfs/dbraw/zinc/37/39/96/1352373996.db2.gz AGFUAHQMVXOGRA-UHFFFAOYSA-N 0 0 338.205 2.430 40 0 EEABRN CCn1ncc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1=O ZINC000028629636 1352374610 /nfs/dbraw/zinc/37/46/10/1352374610.db2.gz STDBWTCXQMVXJE-UHFFFAOYSA-N 0 0 332.835 2.239 40 0 EEABRN CCOC1CC(N(C)S(=O)(=O)c2cn(C)nc2C2CCCC2)C1 ZINC000907188555 784461881 /nfs/dbraw/zinc/46/18/81/784461881.db2.gz RHLTXWADVVHMGQ-UHFFFAOYSA-N 0 0 341.477 2.266 40 0 EEABRN O=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1noc2c1COCC2 ZINC001548453270 1124294949 /nfs/dbraw/zinc/29/49/49/1124294949.db2.gz ZKHVKOZGINOTKT-KRWDZBQOSA-N 0 0 347.459 2.408 40 0 EEABRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccn1 ZINC000054721071 214252435 /nfs/dbraw/zinc/25/24/35/214252435.db2.gz BJRQJTJYFLXLCC-UHFFFAOYSA-N 0 0 339.804 2.330 40 0 EEABRN CCc1ccccc1S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000186974152 529606031 /nfs/dbraw/zinc/60/60/31/529606031.db2.gz NTPJCPZCPMWZRL-ZDUSSCGKSA-N 0 0 338.454 2.468 40 0 EEABRN COc1ccc([C@H]2Oc3cc(C=O)ccc3O[C@@H]2CO)cc1OC ZINC000136355547 290709805 /nfs/dbraw/zinc/70/98/05/290709805.db2.gz AQIYNEAMIVICCP-QZTJIDSGSA-N 0 0 330.336 2.390 40 0 biogenic,in-vitro EEABRN CN(C(=O)c1cccc(N)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000178560484 232258853 /nfs/dbraw/zinc/25/88/53/232258853.db2.gz QRWKXQQLTWHBFD-MRXNPFEDSA-N 0 0 327.359 2.285 40 0 EEABRN Cc1noc(C)c1CS(=O)(=O)CC(=O)N[C@H](C)CCC(C)C ZINC000046106893 213782212 /nfs/dbraw/zinc/78/22/12/213782212.db2.gz BIVLIEGAADCGIO-LLVKDONJSA-N 0 0 330.450 2.147 40 0 EEABRN COC[C@]1(C)NC(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000066083695 215007604 /nfs/dbraw/zinc/00/76/04/215007604.db2.gz JVWSQRKFSHYVDN-ZDUSSCGKSA-N 0 0 345.168 2.045 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc[nH]n2)cc1C ZINC000068113389 215279944 /nfs/dbraw/zinc/27/99/44/215279944.db2.gz SFNYKKLEULEQJI-CQSZACIVSA-N 0 0 330.413 2.180 40 0 EEABRN CCc1noc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000041122393 213419378 /nfs/dbraw/zinc/41/93/78/213419378.db2.gz OVLAZOJRKQYLEH-GFCCVEGCSA-N 0 0 329.356 2.381 40 0 EEABRN O=C(CNC(=O)c1ccsc1)Nc1ccc(Cn2cccn2)cc1 ZINC000069211798 215369837 /nfs/dbraw/zinc/36/98/37/215369837.db2.gz HUSKJJFFWPQDDU-UHFFFAOYSA-N 0 0 340.408 2.361 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2oc1=O ZINC000040640362 213362556 /nfs/dbraw/zinc/36/25/56/213362556.db2.gz PGVSJTRDYMIYFC-UHFFFAOYSA-N 0 0 344.392 2.366 40 0 EEABRN O=C(OCCOc1ccc(F)cc1)c1cccnc1-n1cncn1 ZINC000039555478 213240824 /nfs/dbraw/zinc/24/08/24/213240824.db2.gz CCICGJQMQQTMCA-UHFFFAOYSA-N 0 0 328.303 2.037 40 0 EEABRN O=C(CN1CCOc2ccc(Cl)cc21)NCc1nnc(C2CC2)o1 ZINC000186905856 236059983 /nfs/dbraw/zinc/05/99/83/236059983.db2.gz IOCFBNHYXMGMFC-UHFFFAOYSA-N 0 0 348.790 2.116 40 0 EEABRN Cc1cc2c(ncnc2N2CCN(C(=O)C[C@H]3CCCO3)CC2)s1 ZINC000187109401 236120031 /nfs/dbraw/zinc/12/00/31/236120031.db2.gz TVEXASGGNKDXKW-CYBMUJFWSA-N 0 0 346.456 2.217 40 0 EEABRN O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187379771 236195695 /nfs/dbraw/zinc/19/56/95/236195695.db2.gz ABHYOYNAXAHRGT-KURKYZTESA-N 0 0 340.427 2.298 40 0 EEABRN O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NC1CCCCC1 ZINC000036056737 213059768 /nfs/dbraw/zinc/05/97/68/213059768.db2.gz SQMNGVQENZUVEY-UHFFFAOYSA-N 0 0 347.434 2.032 40 0 EEABRN Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1nc(C)cc(=O)[nH]1 ZINC000035598404 213041243 /nfs/dbraw/zinc/04/12/43/213041243.db2.gz LIMXUUQKCLKMHD-UHFFFAOYSA-N 0 0 341.346 2.054 40 0 EEABRN O=C(CN1c2ccccc2C(=O)C1=O)Nc1cccc2cccnc21 ZINC000035289645 213018170 /nfs/dbraw/zinc/01/81/70/213018170.db2.gz GHJCTXWGDNJMTB-UHFFFAOYSA-N 0 0 331.331 2.403 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241323 216079866 /nfs/dbraw/zinc/07/98/66/216079866.db2.gz MDDQNKUFCILQHO-HOTGVXAUSA-N 0 0 348.786 2.148 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000072384892 216185197 /nfs/dbraw/zinc/18/51/97/216185197.db2.gz BXVMIHZVARDMKN-LLVKDONJSA-N 0 0 327.310 2.379 40 0 EEABRN CN1CCN(Cc2csc(CS(C)(=O)=O)n2)c2ccccc21 ZINC000072631274 216284989 /nfs/dbraw/zinc/28/49/89/216284989.db2.gz VIDZXONPOYVSJM-UHFFFAOYSA-N 0 0 337.470 2.144 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108525555 219897381 /nfs/dbraw/zinc/89/73/81/219897381.db2.gz JWSMTZZVRQZMHW-NVXWUHKLSA-N 0 0 348.487 2.300 40 0 EEABRN Cn1cc(C(=O)OCCN2CCCC2=O)c(-c2ccc(F)cc2F)n1 ZINC000073162344 216358267 /nfs/dbraw/zinc/35/82/67/216358267.db2.gz HLQMUOWQFJGBIF-UHFFFAOYSA-N 0 0 349.337 2.145 40 0 EEABRN COC(=O)Cn1ncc(NC(=O)c2cccc(F)c2Cl)c1C ZINC000193880487 240345808 /nfs/dbraw/zinc/34/58/08/240345808.db2.gz NHSJLGIWJFSSDS-UHFFFAOYSA-N 0 0 325.727 2.409 40 0 EEABRN C[C@@H](O)[C@@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000195560201 241009626 /nfs/dbraw/zinc/00/96/26/241009626.db2.gz DNILYKQOQWIWQQ-DGCLKSJQSA-N 0 0 341.249 2.404 40 0 EEABRN CCc1cccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1 ZINC000211096642 241078240 /nfs/dbraw/zinc/07/82/40/241078240.db2.gz UWXBXDWMRQCDAA-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN O=C(c1c[nH]c(=O)[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219325387 241379528 /nfs/dbraw/zinc/37/95/28/241379528.db2.gz BDYGBAJQACPNBX-ZDUSSCGKSA-N 0 0 339.367 2.302 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218618910 241333919 /nfs/dbraw/zinc/33/39/19/241333919.db2.gz RYJHHJVKVKUJRY-BZSNNMDCSA-N 0 0 349.427 2.499 40 0 EEABRN COc1cccc(OCCNC(=O)COc2ccccc2OC)c1 ZINC000223382424 241642769 /nfs/dbraw/zinc/64/27/69/241642769.db2.gz KCDVZPPPWPEWKS-UHFFFAOYSA-N 0 0 331.368 2.278 40 0 EEABRN O=S(=O)(N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000225713041 241999015 /nfs/dbraw/zinc/99/90/15/241999015.db2.gz GQFZZNXKVQUQSF-NSHDSACASA-N 0 0 332.219 2.355 40 0 EEABRN CC(C)c1nc2n(n1)C[C@H](Nc1nnc(-c3ccon3)s1)CC2 ZINC000225819838 242052301 /nfs/dbraw/zinc/05/23/01/242052301.db2.gz XXNNRDWRXOZEGO-SECBINFHSA-N 0 0 331.405 2.335 40 0 EEABRN CON(C)C(=O)COc1nn(-c2ccccc2)cc1Br ZINC000227151288 242123729 /nfs/dbraw/zinc/12/37/29/242123729.db2.gz KQUGNVKXRLEDFF-UHFFFAOYSA-N 0 0 340.177 2.033 40 0 EEABRN O=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1nccs1 ZINC000227160611 242125125 /nfs/dbraw/zinc/12/51/25/242125125.db2.gz UROCBQWOPLBRGM-UHFFFAOYSA-N 0 0 333.348 2.091 40 0 EEABRN CCOCc1ccc(CNC(=O)CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230082253 242225998 /nfs/dbraw/zinc/22/59/98/242225998.db2.gz YPKHBYUNEPXSAM-MSOLQXFVSA-N 0 0 332.444 2.093 40 0 EEABRN CSC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000076301858 216743629 /nfs/dbraw/zinc/74/36/29/216743629.db2.gz GTYAGLLQPPXVEQ-LLVKDONJSA-N 0 0 342.486 2.016 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000252510137 243841427 /nfs/dbraw/zinc/84/14/27/243841427.db2.gz ZCDQGQVBNXHDBR-JQWIXIFHSA-N 0 0 336.379 2.058 40 0 EEABRN Cc1cc(C2CCN(C(=O)[C@@H]3CCCOC3)CC2)nc2ccnn21 ZINC000257205976 244134232 /nfs/dbraw/zinc/13/42/32/244134232.db2.gz BBIVELHNPDMQRI-OAHLLOKOSA-N 0 0 328.416 2.170 40 0 EEABRN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1c1ccnc(=O)[nH]1 ZINC000257218834 244176370 /nfs/dbraw/zinc/17/63/70/244176370.db2.gz DEOGCGGVPCAVSL-CQSZACIVSA-N 0 0 329.404 2.499 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)ccn1 ZINC000257235498 244227174 /nfs/dbraw/zinc/22/71/74/244227174.db2.gz GYCVYYMKKDTHHA-SFHVURJKSA-N 0 0 349.394 2.184 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000257234894 244227233 /nfs/dbraw/zinc/22/72/33/244227233.db2.gz GVMCEJDXMGUXMA-LBPRGKRZSA-N 0 0 336.399 2.030 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccsc3)CCN2C)c1 ZINC000257246265 244257549 /nfs/dbraw/zinc/25/75/49/244257549.db2.gz ITIUGXMTHCICPI-MRXNPFEDSA-N 0 0 343.452 2.237 40 0 EEABRN COc1ccc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 ZINC000257259318 244291508 /nfs/dbraw/zinc/29/15/08/244291508.db2.gz KXUJVYTXZABJMI-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc(C)n1 ZINC000257260922 244348435 /nfs/dbraw/zinc/34/84/35/244348435.db2.gz LFBRMKFIOMMTKE-KRWDZBQOSA-N 0 0 329.375 2.375 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000257265185 244358706 /nfs/dbraw/zinc/35/87/06/244358706.db2.gz LXQORDJNGKZOFW-CQSZACIVSA-N 0 0 327.388 2.315 40 0 EEABRN Cc1cc(CC[C@@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)ncn1 ZINC000257274564 244387772 /nfs/dbraw/zinc/38/77/72/244387772.db2.gz NLOVVNANRWRDNV-OAHLLOKOSA-N 0 0 344.415 2.370 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257274279 244388436 /nfs/dbraw/zinc/38/84/36/244388436.db2.gz NKIKKOFTKOVHGY-KRWDZBQOSA-N 0 0 344.415 2.231 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3F)no2)[C@H]1O ZINC000257276030 244391754 /nfs/dbraw/zinc/39/17/54/244391754.db2.gz NSCCIGJNJUIEEW-IIAWOOMASA-N 0 0 334.347 2.091 40 0 EEABRN Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000257275090 244391909 /nfs/dbraw/zinc/39/19/09/244391909.db2.gz NNWHHRPWMMPERX-INIZCTEOSA-N 0 0 334.383 2.343 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cc(F)ccc2C)CC[C@]12CCCO2 ZINC000257277097 244394755 /nfs/dbraw/zinc/39/47/55/244394755.db2.gz NWJMCZZZILQDCB-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN O=C(CO)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 ZINC000257280412 244403017 /nfs/dbraw/zinc/40/30/17/244403017.db2.gz OKSUXCWMJQEYOD-UHFFFAOYSA-N 0 0 340.427 2.384 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)cc1 ZINC000257296148 244450206 /nfs/dbraw/zinc/45/02/06/244450206.db2.gz RBLLDHWKLJOXHO-CQSZACIVSA-N 0 0 327.384 2.140 40 0 EEABRN CNC(=O)c1cc(C[C@@H]2CCCN(c3ccc(F)cn3)C2)nc(C)n1 ZINC000257331451 244549093 /nfs/dbraw/zinc/54/90/93/244549093.db2.gz XSWUMOMWCBAFAQ-ZDUSSCGKSA-N 0 0 343.406 2.138 40 0 EEABRN CC(=O)N1CCCC[C@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 ZINC000019765701 212063595 /nfs/dbraw/zinc/06/35/95/212063595.db2.gz WAJLICHBGDOJBF-INIZCTEOSA-N 0 0 330.432 2.485 40 0 EEABRN Cc1nc(C)c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)s1 ZINC000019746136 212060234 /nfs/dbraw/zinc/06/02/34/212060234.db2.gz LRHRYFQPHOWUCB-UHFFFAOYSA-N 0 0 347.444 2.268 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)no1 ZINC000019522640 212036713 /nfs/dbraw/zinc/03/67/13/212036713.db2.gz HOGLUNYYQNIYBN-AWEZNQCLSA-N 0 0 330.388 2.168 40 0 EEABRN CC(C)[C@@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445603 212028440 /nfs/dbraw/zinc/02/84/40/212028440.db2.gz VTRPFXUUUCLQBM-QGZVFWFLSA-N 0 0 349.394 2.354 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019462832 212030676 /nfs/dbraw/zinc/03/06/76/212030676.db2.gz SQYVHMREEFBMJU-KOLCDFICSA-N 0 0 335.358 2.424 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc2c1CCCC2 ZINC000077938155 217002323 /nfs/dbraw/zinc/00/23/23/217002323.db2.gz CQZVUBUJJGUQKM-WMLDXEAASA-N 0 0 330.428 2.171 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000077920787 216998355 /nfs/dbraw/zinc/99/83/55/216998355.db2.gz CIFYVUHGIDLSAP-MRXNPFEDSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(C1CCC1)N1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000077964073 217006413 /nfs/dbraw/zinc/00/64/13/217006413.db2.gz FYYUJUZJMVDPNZ-UHFFFAOYSA-N 0 0 325.412 2.176 40 0 EEABRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290723 212011466 /nfs/dbraw/zinc/01/14/66/212011466.db2.gz IONPCDBFNBHIMR-INIZCTEOSA-N 0 0 344.415 2.213 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000078261172 217035693 /nfs/dbraw/zinc/03/56/93/217035693.db2.gz RRYAEYDITKYDFW-INIZCTEOSA-N 0 0 346.452 2.128 40 0 EEABRN Cn1cccc1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000078337406 217041851 /nfs/dbraw/zinc/04/18/51/217041851.db2.gz LLMDMUPOFOBOEO-QGZVFWFLSA-N 0 0 335.448 2.285 40 0 EEABRN CN1CC(=O)N(CCCc2nc(Cc3ccc(Cl)cc3)no2)C1=O ZINC000078774980 217118727 /nfs/dbraw/zinc/11/87/27/217118727.db2.gz NJBQANDPRXGSSH-UHFFFAOYSA-N 0 0 348.790 2.140 40 0 EEABRN COc1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 ZINC000016807057 211936703 /nfs/dbraw/zinc/93/67/03/211936703.db2.gz RBVLSWLNYSQMAC-UHFFFAOYSA-N 0 0 343.412 2.483 40 0 EEABRN CCc1noc(CN(C)C(=O)[C@H]2CCCCN2Cc2cccnc2)n1 ZINC000078928820 217150084 /nfs/dbraw/zinc/15/00/84/217150084.db2.gz CUSVPHMEMFFOGI-OAHLLOKOSA-N 0 0 343.431 2.040 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000078988736 217166526 /nfs/dbraw/zinc/16/65/26/217166526.db2.gz ZQDSNOPUYZASBD-DGCLKSJQSA-N 0 0 329.404 2.116 40 0 EEABRN O=C(CCCNC(=O)c1ccnc(F)c1)N1CCc2ccccc2C1 ZINC000078987589 217166823 /nfs/dbraw/zinc/16/68/23/217166823.db2.gz LKSGLLLCZKNSEX-UHFFFAOYSA-N 0 0 341.386 2.316 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@@H]1c1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000079098531 217193384 /nfs/dbraw/zinc/19/33/84/217193384.db2.gz CIPODANPHBTBBI-FVQBIDKESA-N 0 0 338.473 2.397 40 0 EEABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2cscn2)CC1=O ZINC000079352518 217212778 /nfs/dbraw/zinc/21/27/78/217212778.db2.gz YAAKQOYDXYDIND-HIFRSBDPSA-N 0 0 343.452 2.412 40 0 EEABRN O=C(C=C1CCCCC1)N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000079355523 217213693 /nfs/dbraw/zinc/21/36/93/217213693.db2.gz UMZQWVGTPMQXHR-UHFFFAOYSA-N 0 0 327.428 2.185 40 0 EEABRN CCOC(=O)C1(NC(=O)Cc2c(C)noc2C)Cc2ccccc2C1 ZINC000079333613 217209465 /nfs/dbraw/zinc/20/94/65/217209465.db2.gz NWZYJLANPNBUKP-UHFFFAOYSA-N 0 0 342.395 2.051 40 0 EEABRN Cc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)c2n1CCCC2 ZINC000081124188 217364106 /nfs/dbraw/zinc/36/41/06/217364106.db2.gz LVZSWIRTUZDOLR-UHFFFAOYSA-N 0 0 341.415 2.012 40 0 EEABRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 ZINC000081245998 217374947 /nfs/dbraw/zinc/37/49/47/217374947.db2.gz DYJLLDZJNNZSIV-HNNXBMFYSA-N 0 0 338.333 2.188 40 0 EEABRN COC1CCC(N(C)C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000265147534 247246624 /nfs/dbraw/zinc/24/66/24/247246624.db2.gz AJWAPIQRXGTOOS-UHFFFAOYSA-N 0 0 340.370 2.111 40 0 EEABRN C[C@@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000013888553 296243903 /nfs/dbraw/zinc/24/39/03/296243903.db2.gz ZVQLILUCRUIFNH-MEDUHNTESA-N 0 0 331.326 2.038 40 0 in-vitro EEABRN Cc1occc1-c1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(=O)o1 ZINC000012143008 211304350 /nfs/dbraw/zinc/30/43/50/211304350.db2.gz BVAOBBXRSDGYQN-LLVKDONJSA-N 0 0 339.351 2.383 40 0 EEABRN C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000012113272 211292792 /nfs/dbraw/zinc/29/27/92/211292792.db2.gz NWIWAYJMUBBTTL-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN CCc1nn(CC(=O)NC2CCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115412 211293796 /nfs/dbraw/zinc/29/37/96/211293796.db2.gz SJIRHTHMNCBWHF-UHFFFAOYSA-N 0 0 344.440 2.250 40 0 EEABRN CC1CCC(NC(=O)CN2CCC(O)(c3cccnc3)CC2)CC1 ZINC000012113238 211292496 /nfs/dbraw/zinc/29/24/96/211292496.db2.gz PHLAEKSSHZYJIL-UHFFFAOYSA-N 0 0 331.460 2.060 40 0 EEABRN COc1cc(Br)c(CN2CCC[C@@H]2CO)c(OC)c1 ZINC000092470769 218143418 /nfs/dbraw/zinc/14/34/18/218143418.db2.gz KOGSHKIMXHYSOC-SNVBAGLBSA-N 0 0 330.222 2.423 40 0 EEABRN CCC[C@H](C)NC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 ZINC000010010046 211140971 /nfs/dbraw/zinc/14/09/71/211140971.db2.gz MSLQWXFDQXJAPD-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN CN(Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093938642 218258032 /nfs/dbraw/zinc/25/80/32/218258032.db2.gz OWFMYPKVHDJTAE-GFCCVEGCSA-N 0 0 336.226 2.207 40 0 EEABRN CC(C)COc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 ZINC000009237922 211057594 /nfs/dbraw/zinc/05/75/94/211057594.db2.gz VJUCSFMTUDVKIF-UHFFFAOYSA-N 0 0 344.415 2.063 40 0 EEABRN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)C1=COCCC1 ZINC000095393960 218326111 /nfs/dbraw/zinc/32/61/11/218326111.db2.gz LGFUTMFEUVQZBB-ZDUSSCGKSA-N 0 0 345.317 2.256 40 0 EEABRN C[C@@H](O)CCN(C)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000095433827 218376632 /nfs/dbraw/zinc/37/66/32/218376632.db2.gz WBGRPUOXVGMWJL-MRVPVSSYSA-N 0 0 334.850 2.341 40 0 EEABRN Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(C(=O)Cc3ccsc3)C2)n1 ZINC000096038925 218519955 /nfs/dbraw/zinc/51/99/55/218519955.db2.gz MSMACHDQDWXCFT-MGPQQGTHSA-N 0 0 333.413 2.156 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096039261 218520858 /nfs/dbraw/zinc/52/08/58/218520858.db2.gz CTRDGXSAMMAXDX-LPHOPBHVSA-N 0 0 343.427 2.231 40 0 EEABRN O=C(c1cccnc1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042470 218526720 /nfs/dbraw/zinc/52/67/20/218526720.db2.gz HEQAFLQYRHZJPH-KURKYZTESA-N 0 0 339.395 2.065 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061205 218554989 /nfs/dbraw/zinc/55/49/89/218554989.db2.gz YFARVKZUGKDMFE-HNNXBMFYSA-N 0 0 346.427 2.268 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1 ZINC000096107356 218600329 /nfs/dbraw/zinc/60/03/29/218600329.db2.gz QYRVCZOATWLUTC-PBHICJAKSA-N 0 0 330.363 2.218 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096220067 218695741 /nfs/dbraw/zinc/69/57/41/218695741.db2.gz GYJRNLOVAQZMNH-APWZRJJASA-N 0 0 339.395 2.238 40 0 EEABRN C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000096402376 218750028 /nfs/dbraw/zinc/75/00/28/218750028.db2.gz FIYSTXVILLSJMQ-CRAIPNDOSA-N 0 0 343.427 2.132 40 0 EEABRN CCn1nc(C)cc1C(=O)NC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000096409681 218763141 /nfs/dbraw/zinc/76/31/41/218763141.db2.gz MNQBDSLXFCRENE-CQSZACIVSA-N 0 0 339.342 2.276 40 0 EEABRN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)NC[C@H]1CCOC1 ZINC000096419890 218784051 /nfs/dbraw/zinc/78/40/51/218784051.db2.gz LSLPXVATBPZVKW-SKDRFNHKSA-N 0 0 333.215 2.363 40 0 EEABRN Cc1cccnc1CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000096426433 218797046 /nfs/dbraw/zinc/79/70/46/218797046.db2.gz GXRMBIBTACJIIS-SFHVURJKSA-N 0 0 343.402 2.219 40 0 EEABRN NC(=O)COc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000096431567 218806079 /nfs/dbraw/zinc/80/60/79/218806079.db2.gz PPUPGPWIOOZECF-GOSISDBHSA-N 0 0 338.407 2.287 40 0 EEABRN CN(CCOC(=O)[C@@H]1CC(=O)Nc2ccccc21)CC(F)(F)F ZINC000096442310 218823572 /nfs/dbraw/zinc/82/35/72/218823572.db2.gz WRQLTBIOKHUURE-LLVKDONJSA-N 0 0 330.306 2.150 40 0 EEABRN Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000096446650 218829956 /nfs/dbraw/zinc/82/99/56/218829956.db2.gz MSRJVMYXENPEJW-ZDUSSCGKSA-N 0 0 337.420 2.121 40 0 EEABRN O=C1c2ccccc2C(=O)N1C/C=C\CN1C(=O)c2ccccc2C1=O ZINC000005069149 210382771 /nfs/dbraw/zinc/38/27/71/210382771.db2.gz QPWMZOCQKSFBNO-WAYWQWQTSA-N 0 0 346.342 2.135 40 0 EEABRN O=C(Cc1ccccc1)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1 ZINC000005047568 210374847 /nfs/dbraw/zinc/37/48/47/210374847.db2.gz OUOAOWBTQPVFOF-KRWDZBQOSA-N 0 0 337.375 2.490 40 0 EEABRN OC1(c2ccccc2F)CCN(Cc2nnnn2C2CCCC2)CC1 ZINC000004967701 210343640 /nfs/dbraw/zinc/34/36/40/210343640.db2.gz BTLMAWTVKZRLNH-UHFFFAOYSA-N 0 0 345.422 2.411 40 0 EEABRN Cc1nc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)cs1 ZINC000153477097 224111039 /nfs/dbraw/zinc/11/10/39/224111039.db2.gz DAQQBHKERQVTMG-INIZCTEOSA-N 0 0 344.436 2.494 40 0 EEABRN C[C@H](c1ccsc1)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000097379131 219019697 /nfs/dbraw/zinc/01/96/97/219019697.db2.gz HXAAMEJZPQBLPB-CYBMUJFWSA-N 0 0 337.489 2.116 40 0 EEABRN O=c1nc2[nH]cccc2c2oc3c4ccc[nH]c4nc(=O)c3sc12 ZINC000005589340 285201088 /nfs/dbraw/zinc/20/10/88/285201088.db2.gz QIZWQZYNRHSGLQ-UHFFFAOYSA-N 0 0 336.332 2.417 40 0 EEABRN COC(=O)[C@H]1Oc2ccc(Br)cc2-c2nc(N)ncc21 ZINC000072207117 257690668 /nfs/dbraw/zinc/69/06/68/257690668.db2.gz KUYGHLFWTOSOCW-NSHDSACASA-N 0 0 336.145 2.095 40 0 EEABRN COC(=O)c1cc(OC(=O)c2ccc(Br)cc2)n(C)n1 ZINC000408551081 257897087 /nfs/dbraw/zinc/89/70/87/257897087.db2.gz AVPSKRJQYPWHPS-UHFFFAOYSA-N 0 0 339.145 2.188 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408553903 257897146 /nfs/dbraw/zinc/89/71/46/257897146.db2.gz RJHLHRSNLMKKNC-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN C[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCC1)[C@@H](C)c1ccccc1 ZINC000280980525 257987142 /nfs/dbraw/zinc/98/71/42/257987142.db2.gz UITMQZVESMYADY-ZIAGYGMSSA-N 0 0 338.473 2.445 40 0 EEABRN CC(C)[C@H](C)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000048561030 132429429 /nfs/dbraw/zinc/42/94/29/132429429.db2.gz XCNVFGGAOUNNBN-NSHDSACASA-N 0 0 338.839 2.442 40 0 EEABRN CC(C)(C)C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 ZINC000085472242 132820813 /nfs/dbraw/zinc/82/08/13/132820813.db2.gz NLGYYBFAQBLIHB-UHFFFAOYSA-N 0 0 340.431 2.310 40 0 EEABRN Cn1nc(N2CCC(C(=O)Nc3ccccc3Cl)CC2)ccc1=O ZINC000085470919 132821083 /nfs/dbraw/zinc/82/10/83/132821083.db2.gz BOPLBJLBYABELC-UHFFFAOYSA-N 0 0 346.818 2.289 40 0 EEABRN Cc1ccc(CN(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000224787475 292098159 /nfs/dbraw/zinc/09/81/59/292098159.db2.gz FTYRAYPVQKYNFU-OAHLLOKOSA-N 0 0 338.473 2.015 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478506 286181157 /nfs/dbraw/zinc/18/11/57/286181157.db2.gz XHUMFLLNFWAUSZ-YCPHGPKFSA-N 0 0 341.498 2.205 40 0 EEABRN COc1ccc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 ZINC000257259317 286276139 /nfs/dbraw/zinc/27/61/39/286276139.db2.gz KXUJVYTXZABJMI-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 ZINC000218362807 292279725 /nfs/dbraw/zinc/27/97/25/292279725.db2.gz BXRWTUGXDKJDCD-ZWKOTPCHSA-N 0 0 346.448 2.214 40 0 EEABRN CCO[C@H]1C[C@H](N(C)c2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096419511 286520885 /nfs/dbraw/zinc/52/08/85/286520885.db2.gz HUHLZKUYCCKSLW-GJZGRUSLSA-N 0 0 345.447 2.445 40 0 EEABRN COCCN(CC(F)F)S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000084937483 292466737 /nfs/dbraw/zinc/46/67/37/292466737.db2.gz LNNDGBRHXZTMIZ-UHFFFAOYSA-N 0 0 344.383 2.445 40 0 EEABRN CN(C)C(=O)CCNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000096408648 276751615 /nfs/dbraw/zinc/75/16/15/276751615.db2.gz JMNXVHHSCAGAJT-UHFFFAOYSA-N 0 0 339.321 2.448 40 0 EEABRN CC(C)(C)OC(=O)NC1CC[NH+]([C@@H](C(=O)[O-])c2ccncc2)CC1 ZINC000095864959 277197246 /nfs/dbraw/zinc/19/72/46/277197246.db2.gz MCGQYLXWGZHYTJ-CQSZACIVSA-N 0 0 335.404 2.196 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC000096261765 280215022 /nfs/dbraw/zinc/21/50/22/280215022.db2.gz RJWGFUBQEFXWDH-UHFFFAOYSA-N 0 0 325.343 2.347 40 0 EEABRN O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000078979439 280223649 /nfs/dbraw/zinc/22/36/49/280223649.db2.gz WWJTYQODIPAGBR-HNNXBMFYSA-N 0 0 340.362 2.497 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000113966934 280735038 /nfs/dbraw/zinc/73/50/38/280735038.db2.gz AXKBLUHJIUSKPQ-AWEZNQCLSA-N 0 0 326.462 2.456 40 0 EEABRN C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000079098579 289215248 /nfs/dbraw/zinc/21/52/48/289215248.db2.gz PMTKKUUILWQUAS-QGZVFWFLSA-N 0 0 338.473 2.184 40 0 EEABRN CC(=O)c1cc(C(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)n(C)c1 ZINC000293711518 293276134 /nfs/dbraw/zinc/27/61/34/293276134.db2.gz OJXLPSMKEBDZNS-CHWSQXEVSA-N 0 0 347.459 2.335 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257264016 293647005 /nfs/dbraw/zinc/64/70/05/293647005.db2.gz LSLXSHJFQAIPKZ-MRXNPFEDSA-N 0 0 338.415 2.296 40 0 EEABRN CC1(C)c2ccc(C(=O)N3CCc4cc[nH]c(=O)c4C3)cc2NC1=O ZINC000295312644 293679915 /nfs/dbraw/zinc/67/99/15/293679915.db2.gz KVENJLXGIMHLOM-UHFFFAOYSA-N 0 0 337.379 2.215 40 0 EEABRN Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257229991 301090140 /nfs/dbraw/zinc/09/01/40/301090140.db2.gz GAGIJPBWRGJXPB-CYBMUJFWSA-N 0 0 327.344 2.099 40 0 EEABRN CC[C@H](C)n1nc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000331561132 311871775 /nfs/dbraw/zinc/87/17/75/311871775.db2.gz FWRXYDHMHCGXPR-DZGCQCFKSA-N 0 0 342.447 2.351 40 0 EEABRN C[C@@H](NC(=O)N1CCCN2c3ccccc3C[C@@H]2C1)c1ccn(C)n1 ZINC000333691931 312183541 /nfs/dbraw/zinc/18/35/41/312183541.db2.gz CBCUEQKSEZCJSG-GDBMZVCRSA-N 0 0 339.443 2.328 40 0 EEABRN C[C@@H](NC(=O)N1CCCN2c3ccccc3C[C@H]2C1)c1ccn(C)n1 ZINC000333691937 312183653 /nfs/dbraw/zinc/18/36/53/312183653.db2.gz CBCUEQKSEZCJSG-ZBFHGGJFSA-N 0 0 339.443 2.328 40 0 EEABRN Cc1nc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000097237829 323321043 /nfs/dbraw/zinc/32/10/43/323321043.db2.gz DPULGYYIVSUQGC-OAHLLOKOSA-N 0 0 343.518 2.278 40 0 EEABRN CCOC(=O)c1cccc(NC(=S)NC(=O)c2ccncc2)c1 ZINC000000377291 462557545 /nfs/dbraw/zinc/55/75/45/462557545.db2.gz SXTLHNOYBXFSCZ-UHFFFAOYSA-N 0 0 329.381 2.385 40 0 EEABRN Cc1nc2ccc(NCc3cc(Cl)c4c(c3)OCCCO4)nn2n1 ZINC000329328481 465301630 /nfs/dbraw/zinc/30/16/30/465301630.db2.gz UXPJKEONEXVJIT-UHFFFAOYSA-N 0 0 345.790 2.860 40 0 EEABRN O=C1N(c2ccccn2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12 ZINC000085436155 462548025 /nfs/dbraw/zinc/54/80/25/462548025.db2.gz KBIFOXOPMIWGCK-MRXNPFEDSA-N 0 0 326.375 2.347 40 0 biogenic,in-vitro EEABRN Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)n1 ZINC000000414703 462560495 /nfs/dbraw/zinc/56/04/95/462560495.db2.gz ARTOKIZSRBPKEN-UHFFFAOYSA-N 0 0 344.375 2.236 40 0 EEABRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCCS(C)(=O)=O ZINC000088200763 462614358 /nfs/dbraw/zinc/61/43/58/462614358.db2.gz INXFQJJITHLDOD-HNNXBMFYSA-N 0 0 338.473 2.068 40 0 EEABRN Cc1ccc(C)c(N(Cc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 ZINC000113965883 462618591 /nfs/dbraw/zinc/61/85/91/462618591.db2.gz XACIIRXKOBKWKN-UHFFFAOYSA-N 0 0 332.425 2.369 40 0 EEABRN O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000045827807 462621736 /nfs/dbraw/zinc/62/17/36/462621736.db2.gz RZJMYHFZJATGPE-SNVBAGLBSA-N 0 0 331.759 2.020 40 0 EEABRN CCOC(=O)c1sc(S(C)(=O)=O)c2c1CC(C)(C)CC2=O ZINC000004286313 462630819 /nfs/dbraw/zinc/63/08/19/462630819.db2.gz VWTILAZGQNBROA-UHFFFAOYSA-N 0 0 330.427 2.483 40 0 EEABRN COC(=O)c1ccc([C@H](C)N2CCN(Cc3ccncc3)CC2)o1 ZINC000089267641 462661002 /nfs/dbraw/zinc/66/10/02/462661002.db2.gz XOPYIKRKJUVNRX-AWEZNQCLSA-N 0 0 329.400 2.340 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)s1 ZINC000046240792 462663273 /nfs/dbraw/zinc/66/32/73/462663273.db2.gz KYSLXUJSIIMYOX-LLVKDONJSA-N 0 0 349.456 2.407 40 0 EEABRN O=C(NC[C@H]1CCCO1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000006222718 462679493 /nfs/dbraw/zinc/67/94/93/462679493.db2.gz SFTOYZBTLGDSPH-WISAJEAXSA-N 0 0 340.379 2.346 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000006441128 462686543 /nfs/dbraw/zinc/68/65/43/462686543.db2.gz OVQLCTSKGDGVMV-UHFFFAOYSA-N 0 0 328.368 2.324 40 0 EEABRN Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000006451640 462686618 /nfs/dbraw/zinc/68/66/18/462686618.db2.gz TULPZRLTPSRUCK-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CCC(=O)NC(=S)Nc1ncc(I)cc1C ZINC000006515772 462687997 /nfs/dbraw/zinc/68/79/97/462687997.db2.gz RYIQFHUEVKYQJO-UHFFFAOYSA-N 0 0 349.197 2.218 40 0 EEABRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166322 462690719 /nfs/dbraw/zinc/69/07/19/462690719.db2.gz OVDHBSNVULTPIC-SJKOYZFVSA-N 0 0 340.383 2.244 40 0 EEABRN CCCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000006879556 462710630 /nfs/dbraw/zinc/71/06/30/462710630.db2.gz PGRBNQAOYDSDEQ-UHFFFAOYSA-N 0 0 326.462 2.080 40 0 EEABRN Cc1[nH]nc2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000047402797 462777220 /nfs/dbraw/zinc/77/72/20/462777220.db2.gz NJFORCZNCOFXEL-UHFFFAOYSA-N 0 0 339.374 2.368 40 0 EEABRN COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(C)c2)SC1=S ZINC000008336386 462780033 /nfs/dbraw/zinc/78/00/33/462780033.db2.gz UBWIWCDBSPLVIL-GHXNOFRVSA-N 0 0 337.422 2.378 40 0 EEABRN O=C(NCCO)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000008476526 462784612 /nfs/dbraw/zinc/78/46/12/462784612.db2.gz XTKSASUMUIMQIJ-UHFFFAOYSA-N 0 0 342.786 2.310 40 0 EEABRN CCCN1C(=O)CCc2cc(NC(=O)NCCn3ccnc3)ccc21 ZINC000091195681 462851575 /nfs/dbraw/zinc/85/15/75/462851575.db2.gz VWRLRNUSXVVZOH-UHFFFAOYSA-N 0 0 341.415 2.394 40 0 EEABRN Nc1cc(=O)[nH]c2nnc(SCC(=O)c3ccc(Cl)cc3)n21 ZINC000013513839 462894706 /nfs/dbraw/zinc/89/47/06/462894706.db2.gz XTDMMTWYOIZZBH-UHFFFAOYSA-N 0 0 335.776 2.041 40 0 EEABRN CC(C)Oc1ccc(C(=O)NCCCNC(=O)c2ccncc2)cc1 ZINC000013566102 462895538 /nfs/dbraw/zinc/89/55/38/462895538.db2.gz OBRLFVQJSHILTL-UHFFFAOYSA-N 0 0 341.411 2.419 40 0 EEABRN CCC(CC)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000013571130 462895965 /nfs/dbraw/zinc/89/59/65/462895965.db2.gz UMCOTBZRECDMHZ-UHFFFAOYSA-N 0 0 342.443 2.004 40 0 EEABRN CC(C)Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000014607202 462930535 /nfs/dbraw/zinc/93/05/35/462930535.db2.gz QQPFTAFODBZRDA-LBPRGKRZSA-N 0 0 331.351 2.138 40 0 EEABRN Cn1cnnc1SCCNC(=O)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000049027560 462949412 /nfs/dbraw/zinc/94/94/12/462949412.db2.gz WFSXFLCCWRRVDQ-UHFFFAOYSA-N 0 0 345.403 2.471 40 0 EEABRN CC(C)(C(=O)NCc1noc(-c2ccc(Cl)cc2)n1)n1cncn1 ZINC000019080939 463013887 /nfs/dbraw/zinc/01/38/87/463013887.db2.gz NEWRPMXQZUMVFV-UHFFFAOYSA-N 0 0 346.778 2.033 40 0 EEABRN Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)CCN(Cc1ccccc1)C2 ZINC000019286201 463015383 /nfs/dbraw/zinc/01/53/83/463015383.db2.gz GLEKHPVDUVMVNE-QGZVFWFLSA-N 0 0 338.455 2.304 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096039053 463143719 /nfs/dbraw/zinc/14/37/19/463143719.db2.gz MOXNTJFTORSHSJ-HZPDHXFCSA-N 0 0 343.420 2.032 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040334 463144857 /nfs/dbraw/zinc/14/48/57/463144857.db2.gz OEQNHKAZYBVJAN-IRXDYDNUSA-N 0 0 343.489 2.166 40 0 EEABRN COc1cccc(C(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)c1 ZINC000096042392 463147933 /nfs/dbraw/zinc/14/79/33/463147933.db2.gz WGEGRLFFARRMLH-KURKYZTESA-N 0 0 331.412 2.494 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 ZINC000096042434 463148072 /nfs/dbraw/zinc/14/80/72/463148072.db2.gz VCJLUVUKPFMHKP-KURKYZTESA-N 0 0 339.395 2.236 40 0 EEABRN O=C(c1ccco1)N1C[C@@H](OCc2ccccn2)[C@@H]2OCCC[C@@H]21 ZINC000096058155 463159753 /nfs/dbraw/zinc/15/97/53/463159753.db2.gz SWZRMOHKDFYXFW-USXIJHARSA-N 0 0 328.368 2.263 40 0 EEABRN c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)ccn1 ZINC000096058001 463160062 /nfs/dbraw/zinc/16/00/62/463160062.db2.gz KYKDFZJIXBZUIP-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN Cc1nnc(N2C[C@@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)s1 ZINC000096065916 463164484 /nfs/dbraw/zinc/16/44/84/463164484.db2.gz XWLZKAQLLQPPOW-KFWWJZLASA-N 0 0 339.461 2.026 40 0 EEABRN COCC(=O)N1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 ZINC000096075431 463168863 /nfs/dbraw/zinc/16/88/63/463168863.db2.gz LQONOEQEUCSOHI-UHFFFAOYSA-N 0 0 330.428 2.125 40 0 EEABRN Cn1nc(CNS(=O)(=O)Cc2ccccc2F)c2c1CCCC2 ZINC000096099192 463172706 /nfs/dbraw/zinc/17/27/06/463172706.db2.gz NWHVWLXFUXULGU-UHFFFAOYSA-N 0 0 337.420 2.058 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000078991438 463176241 /nfs/dbraw/zinc/17/62/41/463176241.db2.gz KPJMPVNWSZCBOQ-LXTVHRRPSA-N 0 0 328.478 2.174 40 0 EEABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]3F)nc2c1 ZINC000096112320 463179800 /nfs/dbraw/zinc/17/98/00/463179800.db2.gz UPQTUWIJCLCUEA-DOMZBBRYSA-N 0 0 329.379 2.334 40 0 biogenic,in-vitro EEABRN Cc1cccc(N2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)n1 ZINC000096158198 463189065 /nfs/dbraw/zinc/18/90/65/463189065.db2.gz MLXVKCSDDBKFHM-IBGZPJMESA-N 0 0 337.427 2.313 40 0 EEABRN Cc1ccc(CN2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096185950 463197468 /nfs/dbraw/zinc/19/74/68/463197468.db2.gz PLZFBXGAGHEVIA-BPUTZDHNSA-N 0 0 347.440 2.206 40 0 EEABRN O=C(c1cccnc1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187130 463198776 /nfs/dbraw/zinc/19/87/76/463198776.db2.gz HEQAFLQYRHZJPH-SQNIBIBYSA-N 0 0 339.395 2.065 40 0 EEABRN CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccsc1)C2 ZINC000096189379 463201886 /nfs/dbraw/zinc/20/18/86/463201886.db2.gz SWWVGIKHQRSGKO-UHFFFAOYSA-N 0 0 345.468 2.306 40 0 EEABRN CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096199661 463204115 /nfs/dbraw/zinc/20/41/15/463204115.db2.gz RDMJJDSCCLGPKR-IAGOWNOFSA-N 0 0 342.439 2.030 40 0 EEABRN O=C(c1ccccn1)N1CCC2(C=C[C@H](N3CCOCC3)CC2)CC1 ZINC000096240278 463224201 /nfs/dbraw/zinc/22/42/01/463224201.db2.gz URGNTJJIKKLWSZ-KRWDZBQOSA-N 0 0 341.455 2.355 40 0 EEABRN CC(C)(C)CC(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2 ZINC000096240009 463224627 /nfs/dbraw/zinc/22/46/27/463224627.db2.gz CRDMHBVOUQVPIF-UHFFFAOYSA-N 0 0 346.475 2.358 40 0 EEABRN O=C([O-])C[NH+]1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC000096244757 463225595 /nfs/dbraw/zinc/22/55/95/463225595.db2.gz NPZIDXBOXHXYCT-KRWDZBQOSA-N 0 0 328.412 2.147 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccoc1)c1ccco1 ZINC000096250300 463227028 /nfs/dbraw/zinc/22/70/28/463227028.db2.gz LVNNOTDGGPRCMR-YQQAZPJKSA-N 0 0 330.384 2.282 40 0 EEABRN c1csc(CN2CCCn3nnc(CNc4ncccn4)c3C2)c1 ZINC000096259498 463230454 /nfs/dbraw/zinc/23/04/54/463230454.db2.gz LMWZKYXPLLCWLI-UHFFFAOYSA-N 0 0 341.444 2.148 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccccc1Cl ZINC000096406871 463240422 /nfs/dbraw/zinc/24/04/22/463240422.db2.gz VRDAZQTXVBOOSO-AWEZNQCLSA-N 0 0 344.864 2.477 40 0 EEABRN C[C@H](NC(=O)NCC[S@@](C)=O)c1ccc(Br)cc1 ZINC000096408731 463241331 /nfs/dbraw/zinc/24/13/31/463241331.db2.gz AWXURSNKFUHPJW-YYSFKGJASA-N 0 0 333.251 2.188 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)c1 ZINC000096409277 463242400 /nfs/dbraw/zinc/24/24/00/463242400.db2.gz ZHFCWYRVBKUVHF-AWEZNQCLSA-N 0 0 341.411 2.091 40 0 EEABRN COC(=O)[C@H](NC(=O)c1cncc(Br)c1)C(C)(C)C ZINC000096411575 463243384 /nfs/dbraw/zinc/24/33/84/463243384.db2.gz GDBBWKPRNNYSME-JTQLQIEISA-N 0 0 329.194 2.162 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C(N)=O)C1 ZINC000096414419 463247214 /nfs/dbraw/zinc/24/72/14/463247214.db2.gz BGWNZTFRJLPUNY-PWSUYJOCSA-N 0 0 328.334 2.218 40 0 EEABRN CCN1C[C@@H](COC(=O)c2cccc(Br)c2)CC1=O ZINC000096416237 463248036 /nfs/dbraw/zinc/24/80/36/463248036.db2.gz LUCJOQYPPROFFL-JTQLQIEISA-N 0 0 326.190 2.474 40 0 EEABRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H]1CCN(C)C1=O ZINC000096416007 463248291 /nfs/dbraw/zinc/24/82/91/463248291.db2.gz NXUAURPSBLZVHC-AWEZNQCLSA-N 0 0 341.415 2.483 40 0 EEABRN Cc1cc2ncn(C[C@H](O)COc3cc(C)c(C)nn3)c2cc1C ZINC000096415102 463248543 /nfs/dbraw/zinc/24/85/43/463248543.db2.gz GROKCNREEMZNHA-HNNXBMFYSA-N 0 0 326.400 2.500 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000096419355 463250852 /nfs/dbraw/zinc/25/08/52/463250852.db2.gz URCXHSFFIJVNJB-KGLIPLIRSA-N 0 0 332.425 2.320 40 0 EEABRN O=C(CN1CCCNC1=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096420963 463251769 /nfs/dbraw/zinc/25/17/69/463251769.db2.gz QTANOEJMBUVMQP-GFCCVEGCSA-N 0 0 349.740 2.475 40 0 EEABRN C[C@H](CCc1cccn1C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425748 463255208 /nfs/dbraw/zinc/25/52/08/463255208.db2.gz SETKHLHOFOHGRQ-ZBFHGGJFSA-N 0 0 331.460 2.111 40 0 EEABRN O=S(=O)(C1CCOCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000096428454 463257865 /nfs/dbraw/zinc/25/78/65/463257865.db2.gz NKCCFIQUSVEVCE-UHFFFAOYSA-N 0 0 342.436 2.211 40 0 EEABRN CN1C(=O)COc2ccc(NCc3nc(-c4ccco4)no3)cc21 ZINC000096433682 463261944 /nfs/dbraw/zinc/26/19/44/463261944.db2.gz KWZUOOAWIHMUEK-UHFFFAOYSA-N 0 0 326.312 2.297 40 0 EEABRN Cc1ccc(N2CC[C@@H](SCc3nnnn3C3CC3)C2=O)cc1 ZINC000096433414 463262224 /nfs/dbraw/zinc/26/22/24/463262224.db2.gz MXXMLNUBTSHGNN-CQSZACIVSA-N 0 0 329.429 2.355 40 0 EEABRN CSC[C@H]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000096437308 463265128 /nfs/dbraw/zinc/26/51/28/463265128.db2.gz SKZDAXRZLTVAOR-ZWKOTPCHSA-N 0 0 348.512 2.489 40 0 EEABRN CC(C)(CCS(C)(=O)=O)CNC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000096440712 463267328 /nfs/dbraw/zinc/26/73/28/463267328.db2.gz DGKBQSKQJQQNRT-ZIAGYGMSSA-N 0 0 330.494 2.421 40 0 EEABRN C[S@@](=O)CCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000096440347 463267506 /nfs/dbraw/zinc/26/75/06/463267506.db2.gz DKYDBZDNDJEURH-ZSEKCTLFSA-N 0 0 326.487 2.189 40 0 EEABRN CCn1nc(C)cc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096442629 463268530 /nfs/dbraw/zinc/26/85/30/463268530.db2.gz ZKBPNAQOSRXSDP-INIZCTEOSA-N 0 0 341.411 2.417 40 0 EEABRN CC(C)(C)c1cnc(CNC(=O)Nc2cccnc2-n2cncn2)o1 ZINC000096445949 463271348 /nfs/dbraw/zinc/27/13/48/463271348.db2.gz KKRJMKTYJPRJRF-UHFFFAOYSA-N 0 0 341.375 2.270 40 0 EEABRN Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000096449770 463271891 /nfs/dbraw/zinc/27/18/91/463271891.db2.gz JKNMJQHVQUTMBY-YEBMWUKDSA-N 0 0 344.436 2.489 40 0 EEABRN C[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000096461708 463276470 /nfs/dbraw/zinc/27/64/70/463276470.db2.gz LFFBUTOFNCQXLC-LLVKDONJSA-N 0 0 344.502 2.366 40 0 EEABRN Cc1nc(S(=O)(=O)N2CCSC3(CCCCC3)C2)cn1C ZINC000096456761 463276796 /nfs/dbraw/zinc/27/67/96/463276796.db2.gz IQFYEVLYRDKFPA-UHFFFAOYSA-N 0 0 329.491 2.169 40 0 EEABRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000096465830 463277867 /nfs/dbraw/zinc/27/78/67/463277867.db2.gz HNKMKUGCERLSTF-WOPDTQHZSA-N 0 0 335.370 2.370 40 0 EEABRN Cc1ccc(Cn2cccc(NC(=O)N3CCC[C@@H]3CO)c2=O)cc1 ZINC000096484143 463282716 /nfs/dbraw/zinc/28/27/16/463282716.db2.gz OIXJHVBTFLZODQ-MRXNPFEDSA-N 0 0 341.411 2.194 40 0 EEABRN CCOC(=O)c1cnc2c(cnn2C)c1N(C)Cc1c(C)noc1C ZINC000096502652 463292837 /nfs/dbraw/zinc/29/28/37/463292837.db2.gz JDPPJOSDCIHXFH-UHFFFAOYSA-N 0 0 343.387 2.386 40 0 EEABRN C[C@H]1COCCN1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000096502298 463293319 /nfs/dbraw/zinc/29/33/19/463293319.db2.gz JUCBBZRKIGGERY-LBPRGKRZSA-N 0 0 348.378 2.239 40 0 EEABRN Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000080283178 463305304 /nfs/dbraw/zinc/30/53/04/463305304.db2.gz RFRNFLOTOHBSCZ-SECBINFHSA-N 0 0 330.475 2.272 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097095034 463321654 /nfs/dbraw/zinc/32/16/54/463321654.db2.gz BIMONDGRLNDIBV-JQWIXIFHSA-N 0 0 330.787 2.160 40 0 EEABRN Cc1c(N[C@H](C)C(=O)N2CCNC2=O)cnn1-c1cccc(Cl)c1 ZINC000097102913 463323774 /nfs/dbraw/zinc/32/37/74/463323774.db2.gz AUEHLVOHPBRKCT-SNVBAGLBSA-N 0 0 347.806 2.186 40 0 EEABRN Cc1ccc(CCNS(=O)(=O)C2=Cc3ccccc3OC2)cn1 ZINC000097105682 463326018 /nfs/dbraw/zinc/32/60/18/463326018.db2.gz LUOCLFPSYXEWEK-UHFFFAOYSA-N 0 0 330.409 2.285 40 0 EEABRN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000097213527 463348669 /nfs/dbraw/zinc/34/86/69/463348669.db2.gz KGHBMTCYKFNWJG-CNOYCBBQSA-N 0 0 344.377 2.338 40 0 EEABRN C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)N1CCOC[C@@H]1C ZINC000097236990 463352014 /nfs/dbraw/zinc/35/20/14/463352014.db2.gz VIAOUGNOWVTHMG-STQMWFEESA-N 0 0 340.851 2.204 40 0 EEABRN Cc1ccc([C@@H](NC(=O)CS(=O)(=O)N(C)C)c2ccccc2)cc1 ZINC000097372320 463355810 /nfs/dbraw/zinc/35/58/10/463355810.db2.gz WTJCRSYTKHYAKF-SFHVURJKSA-N 0 0 346.452 2.092 40 0 EEABRN Cn1nccc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000071195778 463411167 /nfs/dbraw/zinc/41/11/67/463411167.db2.gz UNMFUZRTRFELSG-HNNXBMFYSA-N 0 0 334.383 2.080 40 0 EEABRN CCc1noc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n1 ZINC000041123613 463468683 /nfs/dbraw/zinc/46/86/83/463468683.db2.gz YQPCLZJHIHKQHY-DOMZBBRYSA-N 0 0 343.383 2.178 40 0 EEABRN COc1cccc(-c2noc(CCC(=O)NCc3ccncc3)n2)c1 ZINC000041185273 463472012 /nfs/dbraw/zinc/47/20/12/463472012.db2.gz MFMJVYSJOMYPGW-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN O=C(NC(=S)NCc1ccccc1)c1ccc2nsnc2c1 ZINC000057316076 463477286 /nfs/dbraw/zinc/47/72/86/463477286.db2.gz BVZJEXZCNYMBLA-UHFFFAOYSA-N 0 0 328.422 2.496 40 0 EEABRN Cc1cc(NCCc2cc(F)cc3c2OCOC3)n2ncnc2n1 ZINC000071953529 463478322 /nfs/dbraw/zinc/47/83/22/463478322.db2.gz AVDWNTNOERAUJU-UHFFFAOYSA-N 0 0 329.335 2.093 40 0 EEABRN O=C(NC[C@]1(O)CCSC1)c1cc(Br)ccc1F ZINC000082967873 463523982 /nfs/dbraw/zinc/52/39/82/463523982.db2.gz FOZLJHHGCNGBSV-GFCCVEGCSA-N 0 0 334.210 2.186 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712422 463579804 /nfs/dbraw/zinc/57/98/04/463579804.db2.gz FBPVUXWWSUCAPS-MJGOQNOKSA-N 0 0 340.427 2.464 40 0 EEABRN CC(C)(C)c1noc(CN(c2ccccc2F)S(C)(=O)=O)n1 ZINC000151750182 463584935 /nfs/dbraw/zinc/58/49/35/463584935.db2.gz VADTZJRFHSKPPH-UHFFFAOYSA-N 0 0 327.381 2.472 40 0 EEABRN CCC/C=c1\sc2n(c1=O)[C@@H](CCC)C(C(=O)OCC)=C(C)N=2 ZINC000107884342 463586004 /nfs/dbraw/zinc/58/60/04/463586004.db2.gz LBBLUGZQXOWJRK-IXJPEXDMSA-N 0 0 336.457 2.302 40 0 EEABRN O=C1C[C@@H](c2noc(-c3ccc[nH]c3=O)n2)CN1c1cccc(F)c1 ZINC000044419906 463678003 /nfs/dbraw/zinc/67/80/03/463678003.db2.gz BSPKDVLGVCBSRS-SNVBAGLBSA-N 0 0 340.314 2.085 40 0 EEABRN C[C@@H]1CC=CC[C@H]1COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000044836133 463694843 /nfs/dbraw/zinc/69/48/43/463694843.db2.gz WPDNCNFXMSWMPC-KEYYUXOJSA-N 0 0 341.411 2.252 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257202109 463756482 /nfs/dbraw/zinc/75/64/82/463756482.db2.gz AKMGCHOQUVZYHT-ZDUSSCGKSA-N 0 0 341.371 2.407 40 0 EEABRN CCc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)no1 ZINC000257220846 463756540 /nfs/dbraw/zinc/75/65/40/463756540.db2.gz DMLCYRDTJATAEL-INIZCTEOSA-N 0 0 329.400 2.375 40 0 EEABRN CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1Cl ZINC000257231781 463758307 /nfs/dbraw/zinc/75/83/07/463758307.db2.gz GIFDZCXOKSPLAT-CJNGLKHVSA-N 0 0 338.835 2.402 40 0 EEABRN Cc1csc(-c2ccc(C[C@@H]3CCN(S(C)(=O)=O)C3)cn2)n1 ZINC000257281721 463759817 /nfs/dbraw/zinc/75/98/17/463759817.db2.gz OQQJLQRCMHRIIF-ZDUSSCGKSA-N 0 0 337.470 2.338 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)no1 ZINC000257295849 463766643 /nfs/dbraw/zinc/76/66/43/463766643.db2.gz RADUYKPQIWPYAA-AWEZNQCLSA-N 0 0 341.371 2.353 40 0 EEABRN O=C(CCOc1ccccc1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257299611 463768787 /nfs/dbraw/zinc/76/87/87/463768787.db2.gz RQUAPOIVSFHTJS-HNNXBMFYSA-N 0 0 341.411 2.456 40 0 EEABRN O=C(Cc1ccc2c(c1)CCC2)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257301160 463769017 /nfs/dbraw/zinc/76/90/17/463769017.db2.gz RXFJIVWMVJSXBF-OALUTQOASA-N 0 0 339.439 2.139 40 0 EEABRN CN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccncc2)cn1 ZINC000257303279 463770036 /nfs/dbraw/zinc/77/00/36/463770036.db2.gz SGNGRIJQJKSQOA-UHFFFAOYSA-N 0 0 349.438 2.301 40 0 EEABRN O=C(CC1CCOCC1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257305193 463770580 /nfs/dbraw/zinc/77/05/80/463770580.db2.gz SOVACKWKISRXTE-HNNXBMFYSA-N 0 0 344.415 2.305 40 0 EEABRN COCC[N@@H+]1CC[C@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1 ZINC000257306399 463770632 /nfs/dbraw/zinc/77/06/32/463770632.db2.gz SUECTLOVPHCLPT-CQSZACIVSA-N 0 0 341.411 2.353 40 0 EEABRN Cc1ccccc1CN1CCO[C@H](c2nccc(CN(C)C)n2)C1 ZINC000257310335 463771737 /nfs/dbraw/zinc/77/17/37/463771737.db2.gz UEQUEIOKYZOSCU-SFHVURJKSA-N 0 0 326.444 2.420 40 0 EEABRN O=C(CC1CCCCC1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257308683 463771837 /nfs/dbraw/zinc/77/18/37/463771837.db2.gz TXRXUBHHQYJINL-MRXNPFEDSA-N 0 0 333.432 2.313 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257329921 463780934 /nfs/dbraw/zinc/78/09/34/463780934.db2.gz XMAGSLWOFMBRJC-GFCCVEGCSA-N 0 0 332.404 2.185 40 0 EEABRN O=S(=O)(NCc1cnc([C@H]2CCCCO2)nc1)c1cccs1 ZINC000257338276 463784866 /nfs/dbraw/zinc/78/48/66/463784866.db2.gz YWSHYGBRWGLBBG-GFCCVEGCSA-N 0 0 339.442 2.258 40 0 EEABRN CC[C@H](C)CS(=O)(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000172092303 463987452 /nfs/dbraw/zinc/98/74/52/463987452.db2.gz BCAXQLRCTGRDEW-ZDUSSCGKSA-N 0 0 344.502 2.272 40 0 EEABRN Cc1occc1-c1nnc(S(=O)(=O)Cc2ccc(C)nc2C)n1C ZINC000195108670 463993055 /nfs/dbraw/zinc/99/30/55/463993055.db2.gz XVFCZEMXADQQPP-UHFFFAOYSA-N 0 0 346.412 2.369 40 0 EEABRN O=C(c1cnn2c1CCCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000179085111 464052383 /nfs/dbraw/zinc/05/23/83/464052383.db2.gz GOMWFGUKLPETIN-INIZCTEOSA-N 0 0 340.427 2.436 40 0 EEABRN CC(C)(C)[C@H]1CN(CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356071 464092161 /nfs/dbraw/zinc/09/21/61/464092161.db2.gz QSMDSILTCKRYBY-MRXNPFEDSA-N 0 0 325.474 2.348 40 0 EEABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCCO ZINC000222833870 464135033 /nfs/dbraw/zinc/13/50/33/464135033.db2.gz XHOZMQAJVDXEKZ-ZDUSSCGKSA-N 0 0 340.851 2.212 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223637430 464145121 /nfs/dbraw/zinc/14/51/21/464145121.db2.gz WSYHMUHOJBIUEZ-WDEREUQCSA-N 0 0 348.415 2.424 40 0 EEABRN O=C(Nc1cnc(-n2cccn2)nc1)c1ccc(Br)o1 ZINC000224243881 464149549 /nfs/dbraw/zinc/14/95/49/464149549.db2.gz WLAKSDGPACYLMA-UHFFFAOYSA-N 0 0 334.133 2.270 40 0 EEABRN Cc1ccc(O[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)nn1 ZINC000225464012 464162780 /nfs/dbraw/zinc/16/27/80/464162780.db2.gz LJCHXSASLIZJBP-GFCCVEGCSA-N 0 0 348.790 2.223 40 0 EEABRN CC(C)c1nnc(CNC(=O)c2cc(Cl)cc(F)c2N)n1C ZINC000225563379 464172646 /nfs/dbraw/zinc/17/26/46/464172646.db2.gz DLLHSYCXUFXNMF-UHFFFAOYSA-N 0 0 325.775 2.243 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000225672637 464179723 /nfs/dbraw/zinc/17/97/23/464179723.db2.gz WNTSKMLYILVOBP-ZANVPECISA-N 0 0 348.262 2.391 40 0 EEABRN COc1ccccc1OC[C@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000225695526 464181102 /nfs/dbraw/zinc/18/11/02/464181102.db2.gz JQZFXACVYGVBRG-JTQLQIEISA-N 0 0 340.401 2.046 40 0 EEABRN CN(C(=O)c1ccccc1OC(F)(F)F)C1(C(N)=O)CCCC1 ZINC000188038487 464186487 /nfs/dbraw/zinc/18/64/87/464186487.db2.gz UKEZCACZIUSJPF-UHFFFAOYSA-N 0 0 330.306 2.455 40 0 EEABRN CC[C@H]1CCCN(C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000180650010 464359013 /nfs/dbraw/zinc/35/90/13/464359013.db2.gz FPNFAKSAKSZTJK-GJZGRUSLSA-N 0 0 326.437 2.130 40 0 EEABRN O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188973602 464407161 /nfs/dbraw/zinc/40/71/61/464407161.db2.gz UWXVMKQZPURMBT-GXTWGEPZSA-N 0 0 345.340 2.054 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000238862706 464438886 /nfs/dbraw/zinc/43/88/86/464438886.db2.gz LAQGGMDRBIQGJG-VXGBXAGGSA-N 0 0 348.428 2.476 40 0 EEABRN Cn1nccc1CCNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000189126044 464438945 /nfs/dbraw/zinc/43/89/45/464438945.db2.gz NCCLLVGYENSMLO-UHFFFAOYSA-N 0 0 349.390 2.329 40 0 EEABRN CNC(=O)CN1CCC[C@@H]1c1ccccc1I ZINC000239352166 464442094 /nfs/dbraw/zinc/44/20/94/464442094.db2.gz ABHNNXAXHSDQMA-GFCCVEGCSA-N 0 0 344.196 2.174 40 0 EEABRN CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)C(=O)Nc1nccs1 ZINC000240225395 464445751 /nfs/dbraw/zinc/44/57/51/464445751.db2.gz DHOCUXHDXFFHBZ-ZDEQEGDKSA-N 0 0 339.461 2.426 40 0 EEABRN CCN(C(=O)c1ncncc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000175215414 464506626 /nfs/dbraw/zinc/50/66/26/464506626.db2.gz WIGZPEFZTPOREM-CQSZACIVSA-N 0 0 344.802 2.398 40 0 EEABRN CC[C@@]1(C)CN(C(=O)Nc2cnn(Cc3ccccn3)c2)CCO1 ZINC000190011149 464584839 /nfs/dbraw/zinc/58/48/39/464584839.db2.gz URDGDXWCKOXSGP-KRWDZBQOSA-N 0 0 329.404 2.359 40 0 EEABRN CCC(C)(C)CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000190414596 464638781 /nfs/dbraw/zinc/63/87/81/464638781.db2.gz ZLNSXZNKCUGSLJ-UHFFFAOYSA-N 0 0 332.404 2.296 40 0 EEABRN NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000247702578 464702878 /nfs/dbraw/zinc/70/28/78/464702878.db2.gz AVVSNAYJBVXNLV-SRVKXCTJSA-N 0 0 342.317 2.165 40 0 EEABRN O=C(NC1CC1)[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758655 464705476 /nfs/dbraw/zinc/70/54/76/464705476.db2.gz YWZISFZYAIHIQQ-GOSISDBHSA-N 0 0 335.411 2.200 40 0 EEABRN c1cnc(N2CC3(C2)C[C@H](CCOCc2ccncc2)CCO3)nc1 ZINC000247878538 464711971 /nfs/dbraw/zinc/71/19/71/464711971.db2.gz PBAJBNTYPDMCGH-MRXNPFEDSA-N 0 0 340.427 2.464 40 0 EEABRN COc1ccc(CC(=O)N2CC3(C2)C[C@H](OCC2CC2)CCO3)cc1 ZINC000247930708 464715007 /nfs/dbraw/zinc/71/50/07/464715007.db2.gz RXUNNESXJDBJOH-GOSISDBHSA-N 0 0 345.439 2.424 40 0 EEABRN Cc1nc(COC[C@H]2CCOC23CN(c2ccc(C)nn2)C3)cs1 ZINC000247941025 464715682 /nfs/dbraw/zinc/71/56/82/464715682.db2.gz UWISBTZXYKIORZ-CQSZACIVSA-N 0 0 346.456 2.362 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@H](C)[C@@H]1CO)c1nc(-c2ccccc2)no1 ZINC000190780175 464719457 /nfs/dbraw/zinc/71/94/57/464719457.db2.gz HLWVFAFCCMPKOG-GUTXKFCHSA-N 0 0 344.415 2.252 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@H](OCc2cccnc2)CS3)cn1 ZINC000248138993 464734176 /nfs/dbraw/zinc/73/41/76/464734176.db2.gz PQBWBFXLIVMOEL-INIZCTEOSA-N 0 0 330.457 2.092 40 0 EEABRN COCc1noc(CN2CC[NH+](C[C@H]3C(C)=CCC[C@H]3C)CC2)n1 ZINC000191133717 464781906 /nfs/dbraw/zinc/78/19/06/464781906.db2.gz KOMBCTYHOQQWLO-CVEARBPZSA-N 0 0 334.464 2.326 40 0 EEABRN O=C(c1cccc(Cl)c1)N1CCCN(Cc2ncccn2)CC1 ZINC000191960699 464836364 /nfs/dbraw/zinc/83/63/64/464836364.db2.gz ARTMBBUGQOUAFX-UHFFFAOYSA-N 0 0 330.819 2.478 40 0 EEABRN C[C@H](NC(=O)C1(c2ccc(Br)c(Cl)c2)CC1)C(N)=O ZINC000252507870 464973757 /nfs/dbraw/zinc/97/37/57/464973757.db2.gz WVNKJNZUEONDCP-ZETCQYMHSA-N 0 0 345.624 2.124 40 0 EEABRN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1[C@@H]1CCCC[C@H]1O ZINC000252548610 464983393 /nfs/dbraw/zinc/98/33/93/464983393.db2.gz QGWSBBPVQZQHIV-JMSVASOKSA-N 0 0 342.317 2.300 40 0 EEABRN CC1CCN(C(=O)c2ccc(N3C[C@H](C(N)=O)CC[C@H]3C)nc2)CC1 ZINC000252584981 464983636 /nfs/dbraw/zinc/98/36/36/464983636.db2.gz FGETUKXSVHCRCK-GDBMZVCRSA-N 0 0 344.459 2.044 40 0 EEABRN CCS(=O)(=O)c1ccccc1NC[C@@H](C)N1CCOC[C@H]1C ZINC000252587522 464984135 /nfs/dbraw/zinc/98/41/35/464984135.db2.gz YXGBXWQJNYMMHI-ZIAGYGMSSA-N 0 0 326.462 2.001 40 0 EEABRN CCOC(=O)COc1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000253397209 465000587 /nfs/dbraw/zinc/00/05/87/465000587.db2.gz GOVRGQSQZSUDHO-UHFFFAOYSA-N 0 0 348.399 2.415 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCOC[C@H]2c2ccccc2)cn1 ZINC000253398262 465002064 /nfs/dbraw/zinc/00/20/64/465002064.db2.gz DZPKFBDOOSYPHF-HNNXBMFYSA-N 0 0 327.388 2.148 40 0 EEABRN CS(=O)(=O)C1(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CCC1 ZINC000253419387 465007793 /nfs/dbraw/zinc/00/77/93/465007793.db2.gz MAZWSXDJBNGXDO-CYBMUJFWSA-N 0 0 341.404 2.123 40 0 EEABRN COc1cccc(C)c1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000253429048 465012793 /nfs/dbraw/zinc/01/27/93/465012793.db2.gz RUOOORDSBAIDAG-UHFFFAOYSA-N 0 0 340.445 2.435 40 0 EEABRN O=C1[C@@H](Sc2nnc(C3CC3)n2C2CC2)CCN1C1CCOCC1 ZINC000253429279 465012822 /nfs/dbraw/zinc/01/28/22/465012822.db2.gz QHDXBLLDWBLMNI-AWEZNQCLSA-N 0 0 348.472 2.362 40 0 EEABRN CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306123407 466486117 /nfs/dbraw/zinc/48/61/17/466486117.db2.gz AMDQBYRJSJVXSH-QGZVFWFLSA-N 0 0 327.409 2.294 40 0 EEABRN CC(C)C(=O)N1CCC2(CC1)Nc1cccnc1N(CC1CC1)C2=O ZINC000306126792 466489113 /nfs/dbraw/zinc/48/91/13/466489113.db2.gz FFKCJFGWNZFKGQ-UHFFFAOYSA-N 0 0 342.443 2.267 40 0 EEABRN c1cc2n(n1)C[C@H](CCNc1ncccn1)CN(Cc1cccnc1)C2 ZINC000306131712 466491180 /nfs/dbraw/zinc/49/11/80/466491180.db2.gz KNPJVJFNHAHVDO-QGZVFWFLSA-N 0 0 349.442 2.202 40 0 EEABRN CC(=O)N1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144252 466493929 /nfs/dbraw/zinc/49/39/29/466493929.db2.gz ZALBXTSAGYPMLR-IAGOWNOFSA-N 0 0 327.359 2.055 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1nc(C(=O)NCC(C)C)c2ccccn21 ZINC000306141328 466494443 /nfs/dbraw/zinc/49/44/43/466494443.db2.gz VSADRJNPDIKSDT-OAHLLOKOSA-N 0 0 328.416 2.404 40 0 EEABRN Cc1ccc(NC(=O)NCc2cccnc2C)cc1S(C)(=O)=O ZINC000529036084 467798277 /nfs/dbraw/zinc/79/82/77/467798277.db2.gz NFHACHPTYFMJLG-UHFFFAOYSA-N 0 0 333.413 2.424 40 0 EEABRN Cc1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422780 468143945 /nfs/dbraw/zinc/14/39/45/468143945.db2.gz WLZKROGEWHPAKK-MOPGFXCFSA-N 0 0 345.464 2.155 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@H](Oc2ccncn2)C1 ZINC000575604828 468146102 /nfs/dbraw/zinc/14/61/02/468146102.db2.gz BUZKOPQPXUFLJP-VIFPVBQESA-N 0 0 338.161 2.126 40 0 EEABRN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc[nH]c1=O ZINC000575606828 468146774 /nfs/dbraw/zinc/14/67/74/468146774.db2.gz MIRJVYYSRWAJAS-UHFFFAOYSA-N 0 0 338.314 2.393 40 0 EEABRN CC(C)[C@@H](Cn1ccnn1)NC(=O)c1ccccc1Br ZINC000575607616 468146866 /nfs/dbraw/zinc/14/68/66/468146866.db2.gz JATYKSOOTXPNTL-CYBMUJFWSA-N 0 0 337.221 2.495 40 0 EEABRN O=C(c1ccncc1F)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000575609052 468147509 /nfs/dbraw/zinc/14/75/09/468147509.db2.gz XZACXDJAYRHHIZ-INIZCTEOSA-N 0 0 348.399 2.223 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)NCCn1nc(C2CC2)ccc1=O ZINC000575609316 468147704 /nfs/dbraw/zinc/14/77/04/468147704.db2.gz VTEHDELQHRQXMR-UHFFFAOYSA-N 0 0 349.793 2.272 40 0 EEABRN COc1ncccc1C(=O)NCc1nc(C2CCSCC2)no1 ZINC000575609236 468147816 /nfs/dbraw/zinc/14/78/16/468147816.db2.gz ZSNIHQRVWGIUIN-UHFFFAOYSA-N 0 0 334.401 2.014 40 0 EEABRN CCOCC(=O)N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 ZINC000585102357 468970487 /nfs/dbraw/zinc/97/04/87/468970487.db2.gz YCDXBNYODZGBJA-IBGZPJMESA-N 0 0 340.427 2.238 40 0 EEABRN Cc1nc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cs1 ZINC000585110627 468973609 /nfs/dbraw/zinc/97/36/09/468973609.db2.gz ODTHKLGQYZGJAC-CQSZACIVSA-N 0 0 343.452 2.311 40 0 EEABRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000585123445 468981747 /nfs/dbraw/zinc/98/17/47/468981747.db2.gz KBOMNGXJHNYTAF-HOTGVXAUSA-N 0 0 344.436 2.256 40 0 EEABRN Cc1cc(=NC(=O)N=c2cc(-c3cccnc3)[nH][nH]2)[nH]n1C(C)C ZINC000585141333 468990696 /nfs/dbraw/zinc/99/06/96/468990696.db2.gz SVQNSVFTBXTQMN-UHFFFAOYSA-N 0 0 325.376 2.045 40 0 EEABRN O=C(N1CCN(c2cnsn2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000585148811 468992882 /nfs/dbraw/zinc/99/28/82/468992882.db2.gz JTNKOFLHCQVPJS-UHFFFAOYSA-N 0 0 332.404 2.058 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(Cc3ccc(F)cn3)C2)c1 ZINC000585268981 468997355 /nfs/dbraw/zinc/99/73/55/468997355.db2.gz GLABWJQWIJCXMY-LJQANCHMSA-N 0 0 346.402 2.171 40 0 EEABRN CO[C@H]1CCCN(C(=O)Cc2nonc2C)[C@H]1Cc1ccccc1 ZINC000585269562 468997833 /nfs/dbraw/zinc/99/78/33/468997833.db2.gz YYKZQZRFVGERBN-IRXDYDNUSA-N 0 0 329.400 2.169 40 0 EEABRN O=C(Cc1ccccc1F)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585273375 468998540 /nfs/dbraw/zinc/99/85/40/468998540.db2.gz TVFADPUYTGIIFB-HXUWFJFHSA-N 0 0 343.398 2.201 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000585277103 469001869 /nfs/dbraw/zinc/00/18/69/469001869.db2.gz LHIQDSILFBGWTP-IBGZPJMESA-N 0 0 342.395 2.487 40 0 EEABRN Cc1cc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)ccn1 ZINC000585278384 469003668 /nfs/dbraw/zinc/00/36/68/469003668.db2.gz RXVAHFFCWDIBPK-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN O=C(Cn1ccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585279292 469004571 /nfs/dbraw/zinc/00/45/71/469004571.db2.gz YZWXVWJXIBXWON-HOTGVXAUSA-N 0 0 333.819 2.131 40 0 EEABRN CO[C@H]1CN(C(=O)c2cccnn2)CC[C@@H]1Cc1ccccc1F ZINC000585278988 469005193 /nfs/dbraw/zinc/00/51/93/469005193.db2.gz JXBOSSJXJOBJCI-PBHICJAKSA-N 0 0 329.375 2.336 40 0 EEABRN CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)c2cccn2C)C1 ZINC000585279170 469005346 /nfs/dbraw/zinc/00/53/46/469005346.db2.gz WNSPNSYHFWIMJV-SFHVURJKSA-N 0 0 332.375 2.474 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)n1 ZINC000585279850 469005885 /nfs/dbraw/zinc/00/58/85/469005885.db2.gz QOAKNBWCGUSLJX-AEFFLSMTSA-N 0 0 345.418 2.091 40 0 EEABRN Cc1noc(C)c1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257326004 490708146 /nfs/dbraw/zinc/70/81/46/490708146.db2.gz WVJAMCPTRHHLEL-KRWDZBQOSA-N 0 0 330.388 2.427 40 0 EEABRN C[C@@H]1CN(C(=O)C[S@@](=O)Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000191207760 534307485 /nfs/dbraw/zinc/30/74/85/534307485.db2.gz IJWNQZMVHSEPEG-ZSMADZGOSA-N 0 0 329.849 2.225 40 0 EEABRN Cn1cc(N2CCC[C@@H](NC(=O)CCc3cc(F)ccc3F)C2)cn1 ZINC000154196077 534738788 /nfs/dbraw/zinc/73/87/88/534738788.db2.gz DFIZKFZWBAKOQD-OAHLLOKOSA-N 0 0 348.397 2.416 40 0 EEABRN Cc1ccc(C(=O)NCCOc2ccccc2)cc1NS(C)(=O)=O ZINC000025985303 526168851 /nfs/dbraw/zinc/16/88/51/526168851.db2.gz SBGHGGPFTPTUDH-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CC(C)(C)SCC(=O)NCCNC(=O)c1c(F)cccc1F ZINC000079033387 526602807 /nfs/dbraw/zinc/60/28/07/526602807.db2.gz FYEDRKZSMWIGQK-UHFFFAOYSA-N 0 0 330.400 2.343 40 0 EEABRN CC(=O)N1CCN(CCOCC(F)(F)C(F)(F)F)C(C)(C)C1 ZINC000189865047 526628126 /nfs/dbraw/zinc/62/81/26/526628126.db2.gz DRHWRVRYUMXBNK-UHFFFAOYSA-N 0 0 332.313 2.143 40 0 EEABRN CCOc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)NC(C)C ZINC000408701217 528395881 /nfs/dbraw/zinc/39/58/81/528395881.db2.gz ULRJQCQUJBYLOZ-UHFFFAOYSA-N 0 0 342.461 2.300 40 0 EEABRN CCO[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000139908552 529089482 /nfs/dbraw/zinc/08/94/82/529089482.db2.gz PQRKFZRIKXBLBO-QGZVFWFLSA-N 0 0 342.395 2.342 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956744 529171125 /nfs/dbraw/zinc/17/11/25/529171125.db2.gz NBRICVVWTMAVBU-UWVGGRQHSA-N 0 0 334.388 2.034 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000257223766 535829132 /nfs/dbraw/zinc/82/91/32/535829132.db2.gz DYTHNNUUFCBJDK-LBPRGKRZSA-N 0 0 340.474 2.236 40 0 EEABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCN1CCOCC1 ZINC000223023210 536045837 /nfs/dbraw/zinc/04/58/37/536045837.db2.gz RVYBOBADSMTZBE-INIZCTEOSA-N 0 0 340.851 2.254 40 0 EEABRN CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@]12CCCO2 ZINC000257338431 536754639 /nfs/dbraw/zinc/75/46/39/536754639.db2.gz YXJTVMCHCNRWJY-GJZGRUSLSA-N 0 0 345.848 2.299 40 0 EEABRN COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000225926860 536755271 /nfs/dbraw/zinc/75/52/71/536755271.db2.gz CCKCTEMRNKETME-UHFFFAOYSA-N 0 0 344.411 2.053 40 0 EEABRN COc1cccc([C@H]2Cn3c(C)cnc3CN2C(=O)c2cc[nH]n2)c1 ZINC000257237395 536912968 /nfs/dbraw/zinc/91/29/68/536912968.db2.gz HGGPDDWYUGKLPS-MRXNPFEDSA-N 0 0 337.383 2.321 40 0 EEABRN CCCN1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)OCO3)CC1 ZINC000028227987 1351803597 /nfs/dbraw/zinc/80/35/97/1351803597.db2.gz KPUVBPVBPBBDFX-HNNXBMFYSA-N 0 0 334.416 2.127 40 0 EEABRN CCOC(=O)[C@@H]1CCCCN1c1nn2cnnc2c2ccccc21 ZINC000027985514 1352373882 /nfs/dbraw/zinc/37/38/82/1352373882.db2.gz FDDRZMKNGRRGFX-AWEZNQCLSA-N 0 0 325.372 2.200 40 0 EEABRN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2cnn(C(C)(C)C)c2)cn1 ZINC001548451802 1124294179 /nfs/dbraw/zinc/29/41/79/1124294179.db2.gz DFCKUGNLDMIAJF-LSDHHAIUSA-N 0 0 346.435 2.493 40 0 EEABRN Brc1cnc(NCc2nncn2-c2ccccc2)nc1 ZINC000067350429 215136107 /nfs/dbraw/zinc/13/61/07/215136107.db2.gz YZPHYOCFGRBLMN-UHFFFAOYSA-N 0 0 331.177 2.432 40 0 EEABRN CCc1noc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000041122402 213419826 /nfs/dbraw/zinc/41/98/26/213419826.db2.gz FZHIMKCFCPGUQH-ZDUSSCGKSA-N 0 0 343.383 2.423 40 0 EEABRN Cc1nn2c(ncc3c2ccn(CCCO)c3=O)c1-c1ccccc1 ZINC000040387987 213295883 /nfs/dbraw/zinc/29/58/83/213295883.db2.gz GKUBNJLZZHRHED-UHFFFAOYSA-N 0 0 334.379 2.402 40 0 EEABRN CCOC(=O)Cc1nc(COc2cccc(N(CC)CC)c2)n[nH]1 ZINC000040175848 213279055 /nfs/dbraw/zinc/27/90/55/213279055.db2.gz VZCFBTHNYNFHHF-UHFFFAOYSA-N 0 0 332.404 2.336 40 0 EEABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1ccncc1 ZINC000039963344 213247543 /nfs/dbraw/zinc/24/75/43/213247543.db2.gz JWIHMQOAICPUEQ-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN CCOC(=O)CN1C(=O)SC(=CNc2ccccc2OC)C1=O ZINC000036636258 213106286 /nfs/dbraw/zinc/10/62/86/213106286.db2.gz NQDRBNDCBKZJKB-WQLSENKSSA-N 0 0 336.369 2.207 40 0 EEABRN CN(C)C(=O)[C@H]1CSCN1C(=O)C1(Cc2ccccc2F)CC1 ZINC000187913758 236338357 /nfs/dbraw/zinc/33/83/57/236338357.db2.gz CKUWJCBACWXWBU-CQSZACIVSA-N 0 0 336.432 2.138 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1ccnc1C(=O)c1cccnc1 ZINC000188905559 236697034 /nfs/dbraw/zinc/69/70/34/236697034.db2.gz IFAOOLVBKLJSNI-ZIAGYGMSSA-N 0 0 326.400 2.299 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1 ZINC000072068189 216002418 /nfs/dbraw/zinc/00/24/18/216002418.db2.gz MZPOTXXAESDFRJ-UHFFFAOYSA-N 0 0 328.368 2.084 40 0 EEABRN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)cc1 ZINC000072324288 216151123 /nfs/dbraw/zinc/15/11/23/216151123.db2.gz JBYDOJMQGUNCFW-AWEZNQCLSA-N 0 0 327.384 2.462 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)Cc1cccc(F)c1 ZINC000072325037 216151201 /nfs/dbraw/zinc/15/12/01/216151201.db2.gz GFBGEWPQEQUBNH-ZDUSSCGKSA-N 0 0 343.402 2.009 40 0 EEABRN CNC(=O)c1cc(C2CCN(C(=O)C3CCCCC3)CC2)ncn1 ZINC000072357451 216165040 /nfs/dbraw/zinc/16/50/40/216165040.db2.gz NHZTVQNDMCXJNP-UHFFFAOYSA-N 0 0 330.432 2.123 40 0 EEABRN Cc1ccccc1Oc1nccnc1[C@H]1CCCN(CC(N)=O)C1 ZINC000072361826 216169335 /nfs/dbraw/zinc/16/93/35/216169335.db2.gz DAWNFOHJBXGSGQ-AWEZNQCLSA-N 0 0 326.400 2.242 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@H](Cc2cccc3cccnc32)C1 ZINC000072368769 216176505 /nfs/dbraw/zinc/17/65/05/216176505.db2.gz CROQNJHXJSKMAV-CYBMUJFWSA-N 0 0 342.424 2.211 40 0 EEABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379004 216180614 /nfs/dbraw/zinc/18/06/14/216180614.db2.gz ZPPNKPJXHWUXFE-AWEZNQCLSA-N 0 0 336.399 2.319 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 ZINC000072382719 216183227 /nfs/dbraw/zinc/18/32/27/216183227.db2.gz OLNMWGCMVUNLNH-AWEZNQCLSA-N 0 0 342.403 2.019 40 0 EEABRN CNC(=O)CCc1cccc([C@H]2CCCN2c2cc(C)ncn2)n1 ZINC000072382854 216184119 /nfs/dbraw/zinc/18/41/19/216184119.db2.gz MOTCIRNUFPXWRO-MRXNPFEDSA-N 0 0 325.416 2.200 40 0 EEABRN COCC(=O)N1CC[C@H]1c1cc(NCc2ccccc2)nc(C)n1 ZINC000072387449 216186844 /nfs/dbraw/zinc/18/68/44/216186844.db2.gz PWRGSCAEADSQQV-INIZCTEOSA-N 0 0 326.400 2.317 40 0 EEABRN Cn1cc(N2CCN(C(=O)NCc3ccc(C4CC4)cc3)CC2)cn1 ZINC000191588883 239198538 /nfs/dbraw/zinc/19/85/38/239198538.db2.gz PYRDWWMEHPRVGP-UHFFFAOYSA-N 0 0 339.443 2.329 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCc2ccc(OC)cc2)c1 ZINC000024258451 212416134 /nfs/dbraw/zinc/41/61/34/212416134.db2.gz SKAVKUCFKNFTOW-UHFFFAOYSA-N 0 0 349.408 2.003 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2F)c1 ZINC000024355880 212419036 /nfs/dbraw/zinc/41/90/36/212419036.db2.gz GMYPILZRMUHBSQ-UHFFFAOYSA-N 0 0 337.372 2.433 40 0 EEABRN O=C(CCn1nnc2ccccc21)N1CCC2(CC1)CC=CCOC2 ZINC000257215309 283805821 /nfs/dbraw/zinc/80/58/21/283805821.db2.gz CPOAVARLRLDIEU-UHFFFAOYSA-N 0 0 340.427 2.407 40 0 EEABRN CCn1cc(Br)cc1C(=O)NCc1nnc(C2CC2)o1 ZINC000193998430 240395216 /nfs/dbraw/zinc/39/52/16/240395216.db2.gz JGYTZXFUEUWKQK-UHFFFAOYSA-N 0 0 339.193 2.461 40 0 EEABRN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578159 241024030 /nfs/dbraw/zinc/02/40/30/241024030.db2.gz CGMMKLAHEZUIEM-IAGOWNOFSA-N 0 0 343.427 2.104 40 0 EEABRN COc1cccc(C(=O)NCc2ccnc(N3CCCC3)n2)c1OC ZINC000207979445 241062552 /nfs/dbraw/zinc/06/25/52/241062552.db2.gz XCFFSJAWFXCIIF-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc3[nH]c(=NN)sc3c2)CC1 ZINC000216775367 241211166 /nfs/dbraw/zinc/21/11/66/241211166.db2.gz BPTJAYPUSUFYMQ-UHFFFAOYSA-N 0 0 326.447 2.003 40 0 EEABRN Cc1nc(S(=O)(=O)N2CCS[C@H](c3ccco3)CC2)cn1C ZINC000219458568 241388076 /nfs/dbraw/zinc/38/80/76/241388076.db2.gz DLSODYDTUZFCTE-ZDUSSCGKSA-N 0 0 341.458 2.190 40 0 EEABRN C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCOCC1 ZINC000227152255 242122739 /nfs/dbraw/zinc/12/27/39/242122739.db2.gz UVMSEWPKIPSUBM-LBPRGKRZSA-N 0 0 335.791 2.152 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)N2c3ccccc3CCCC2=O)n(C)n1 ZINC000227169099 242127925 /nfs/dbraw/zinc/12/79/25/242127925.db2.gz UUZUHGIQKOQYRK-CYBMUJFWSA-N 0 0 326.400 2.425 40 0 EEABRN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)O1 ZINC000249100416 243661492 /nfs/dbraw/zinc/66/14/92/243661492.db2.gz NMTAUGKBRACVCE-OKZBNKHCSA-N 0 0 344.455 2.423 40 0 EEABRN CC(C)c1noc([C@@H]2C[C@H](NC(=O)COc3ccccc3)CN2C)n1 ZINC000020464291 212134378 /nfs/dbraw/zinc/13/43/78/212134378.db2.gz UXDJXBGZQXHXPG-ZFWWWQNUSA-N 0 0 344.415 2.133 40 0 biogenic,in-vitro EEABRN CCn1nc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cc1C ZINC000257203217 244123539 /nfs/dbraw/zinc/12/35/39/244123539.db2.gz APCPFRBHZWPOBD-SFHVURJKSA-N 0 0 340.427 2.257 40 0 EEABRN O=c1cc(CC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)nc[nH]1 ZINC000257214422 244164933 /nfs/dbraw/zinc/16/49/33/244164933.db2.gz CLXXUFMNANCAEY-KRWDZBQOSA-N 0 0 338.411 2.497 40 0 EEABRN Nc1nccnc1[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1 ZINC000257222549 244187901 /nfs/dbraw/zinc/18/79/01/244187901.db2.gz DTSJFTWJAOIZJB-JTQLQIEISA-N 0 0 325.294 2.051 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257221141 244183614 /nfs/dbraw/zinc/18/36/14/244183614.db2.gz DNQSGYDPFFBJCI-OAHLLOKOSA-N 0 0 347.382 2.139 40 0 EEABRN COc1ccccc1[C@@H]1CN(c2cc(C)ncn2)CCN1C(C)=O ZINC000257243219 244250359 /nfs/dbraw/zinc/25/03/59/244250359.db2.gz IFXYZDHFWJZJET-INIZCTEOSA-N 0 0 326.400 2.203 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)c1 ZINC000257244498 244253420 /nfs/dbraw/zinc/25/34/20/244253420.db2.gz ILPIMMLGVUGYIX-AWEZNQCLSA-N 0 0 327.384 2.140 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c(C)nc4ccccn43)C2)n1 ZINC000257234534 244224369 /nfs/dbraw/zinc/22/43/69/244224369.db2.gz GTYYKLVRLDISQM-OAHLLOKOSA-N 0 0 337.427 2.243 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCC3)CCN2C)c1 ZINC000257235052 244226455 /nfs/dbraw/zinc/22/64/55/244226455.db2.gz GWFCTUXICZIDNE-QGZVFWFLSA-N 0 0 329.444 2.052 40 0 EEABRN O=c1cc(C[C@H]2COCCN(Cc3cc(F)cc(F)c3)C2)nc[nH]1 ZINC000257239256 244238716 /nfs/dbraw/zinc/23/87/16/244238716.db2.gz HOPACWAIMFXABP-CYBMUJFWSA-N 0 0 335.354 2.152 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257265418 244360874 /nfs/dbraw/zinc/36/08/74/244360874.db2.gz LYOSEDUYYHRGLS-GOSISDBHSA-N 0 0 347.378 2.147 40 0 EEABRN Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257271738 244378695 /nfs/dbraw/zinc/37/86/95/244378695.db2.gz MZPSVWOEJXIXDA-INIZCTEOSA-N 0 0 334.383 2.343 40 0 EEABRN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H](c2cnccn2)C1 ZINC000257261393 244349462 /nfs/dbraw/zinc/34/94/62/244349462.db2.gz LHCUDSCEZNCKAP-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@H](CCc3ccncn3)C2)s1 ZINC000257285879 244419762 /nfs/dbraw/zinc/41/97/62/244419762.db2.gz PJHHPCZWYFBOOF-OAHLLOKOSA-N 0 0 331.441 2.249 40 0 EEABRN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H](c2ccncc2)C1 ZINC000257278347 244396521 /nfs/dbraw/zinc/39/65/21/244396521.db2.gz OBWUHICLYXBCJD-QGZVFWFLSA-N 0 0 336.395 2.491 40 0 EEABRN O=S(=O)(c1ccccc1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257312252 244495935 /nfs/dbraw/zinc/49/59/35/244495935.db2.gz UNAOOQUWLXARDP-UHFFFAOYSA-N 0 0 342.424 2.298 40 0 EEABRN CCn1nc(C)c([C@@H](C)NC(=O)c2cc(-c3cnn(C)c3)on2)c1C ZINC000019523765 212038452 /nfs/dbraw/zinc/03/84/52/212038452.db2.gz LRZXZSGTDCMMGU-SNVBAGLBSA-N 0 0 342.403 2.399 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000019496226 212032301 /nfs/dbraw/zinc/03/23/01/212032301.db2.gz SZEMGIWSOSRGQL-AAEUAGOBSA-N 0 0 346.456 2.249 40 0 EEABRN Cn1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000019290719 212011577 /nfs/dbraw/zinc/01/15/77/212011577.db2.gz UVVRNPGAZXSQDZ-UHFFFAOYSA-N 0 0 332.379 2.041 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)no3)C2)on1 ZINC000019119667 212000702 /nfs/dbraw/zinc/00/07/02/212000702.db2.gz NKVDULYUACNXPF-LLVKDONJSA-N 0 0 325.328 2.058 40 0 EEABRN CCN(Cc1ccoc1)C(=O)NCCn1c(=O)oc2ccccc21 ZINC000078605121 217085913 /nfs/dbraw/zinc/08/59/13/217085913.db2.gz JTTCWYFEIDPGJZ-UHFFFAOYSA-N 0 0 329.356 2.419 40 0 EEABRN O=C(NC[C@H]1CCOC1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000078657472 217096412 /nfs/dbraw/zinc/09/64/12/217096412.db2.gz RQVRNQCSFCIVIN-LLVKDONJSA-N 0 0 336.392 2.426 40 0 EEABRN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C(C)C)CC2)CC1 ZINC000078726470 217108654 /nfs/dbraw/zinc/10/86/54/217108654.db2.gz AFOVKZZDYXWFNW-OAHLLOKOSA-N 0 0 344.521 2.333 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016959526 211943458 /nfs/dbraw/zinc/94/34/58/211943458.db2.gz GPULZYKBPROPRT-LLVKDONJSA-N 0 0 336.335 2.068 40 0 EEABRN C[C@H](CSc1ccccc1)C(=O)NCCc1nnc2n1CCC2 ZINC000078883155 217138628 /nfs/dbraw/zinc/13/86/28/217138628.db2.gz FHFRHCANJWJOCN-CYBMUJFWSA-N 0 0 330.457 2.311 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2cccc(COC3CCOCC3)c2)CCO1 ZINC000078926352 217150050 /nfs/dbraw/zinc/15/00/50/217150050.db2.gz FWWJXQIZNZNKJR-OAHLLOKOSA-N 0 0 348.443 2.313 40 0 EEABRN CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000079029088 217177788 /nfs/dbraw/zinc/17/77/88/217177788.db2.gz AFUSVMVZEYEADS-LLVKDONJSA-N 0 0 333.215 2.455 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000079036312 217178989 /nfs/dbraw/zinc/17/89/89/217178989.db2.gz VWNBNAMOAQMKGS-NILFDRSVSA-N 0 0 342.436 2.146 40 0 EEABRN C[C@@H](Oc1ccccc1Br)C(=O)NCCC[S@@](C)=O ZINC000079001733 217172699 /nfs/dbraw/zinc/17/26/99/217172699.db2.gz FGDGPQOOBPASHT-DGIBIBHMSA-N 0 0 348.262 2.101 40 0 EEABRN CCCn1nc(C(=O)N[C@@H](c2ncccc2C)C(C)C)ccc1=O ZINC000079358172 217215004 /nfs/dbraw/zinc/21/50/04/217215004.db2.gz RHBNNCGOFZFUKA-MRXNPFEDSA-N 0 0 328.416 2.484 40 0 EEABRN Cc1cccnc1[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000079358110 217215221 /nfs/dbraw/zinc/21/52/21/217215221.db2.gz JAANVDCDZBCOCZ-INIZCTEOSA-N 0 0 336.399 2.493 40 0 EEABRN CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391580 217218434 /nfs/dbraw/zinc/21/84/34/217218434.db2.gz PDKRDLHQXMIYOJ-MRXNPFEDSA-N 0 0 334.416 2.440 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000079939985 217265691 /nfs/dbraw/zinc/26/56/91/217265691.db2.gz YQCUOLRQGVKFAP-CYBMUJFWSA-N 0 0 348.838 2.030 40 0 EEABRN O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCc3ccccc3)cc2o1 ZINC000080633158 217320702 /nfs/dbraw/zinc/32/07/02/217320702.db2.gz DAMHSESNDJPMQY-UHFFFAOYSA-N 0 0 338.772 2.253 40 0 EEABRN Cn1nc(C(=O)N2CC[C@H](CSc3ccccc3)C2)ccc1=O ZINC000081289123 217379762 /nfs/dbraw/zinc/37/97/62/217379762.db2.gz JZECVVFIHIJYFN-ZDUSSCGKSA-N 0 0 329.425 2.035 40 0 EEABRN Cn1c2ccc(NCc3ccc([S@](C)=O)cc3)cc2n(C)c1=O ZINC000085324554 217659461 /nfs/dbraw/zinc/65/94/61/217659461.db2.gz KEZPIKSHOPGHOK-HSZRJFAPSA-N 0 0 329.425 2.227 40 0 EEABRN Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@H]2C[C@H]2C)on1 ZINC000012337712 211350943 /nfs/dbraw/zinc/35/09/43/211350943.db2.gz MVQZDNWJYLDAOV-PWSUYJOCSA-N 0 0 329.404 2.120 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000012145069 211304457 /nfs/dbraw/zinc/30/44/57/211304457.db2.gz IYQIFXARJMFBRN-LBPRGKRZSA-N 0 0 348.362 2.356 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000012116841 211295481 /nfs/dbraw/zinc/29/54/81/211295481.db2.gz NOCAUZOBZDWKNP-QGHHPUGFSA-N 0 0 342.374 2.482 40 0 EEABRN O=C(NCCc1ccccc1)[C@H]1C=CCN1C(=O)c1cccs1 ZINC000012115040 211293803 /nfs/dbraw/zinc/29/38/03/211293803.db2.gz PZGDBCGHRKUPET-OAHLLOKOSA-N 0 0 326.421 2.488 40 0 EEABRN O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1cccc(F)c1 ZINC000012113228 211293540 /nfs/dbraw/zinc/29/35/40/211293540.db2.gz SFJXTLVKVGQXJG-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN Cc1cnc(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)cn1 ZINC000012146139 211306212 /nfs/dbraw/zinc/30/62/12/211306212.db2.gz QRNXHHZWLNUWPN-UHFFFAOYSA-N 0 0 340.412 2.017 40 0 EEABRN Cc1cc(C(=O)OC[C@H]2CNC(=O)C2)c(C)cc1Br ZINC000091889493 218083033 /nfs/dbraw/zinc/08/30/33/218083033.db2.gz LEQUBKBUROXVNS-SNVBAGLBSA-N 0 0 326.190 2.359 40 0 EEABRN O=C(c1ccno1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225485608 284730840 /nfs/dbraw/zinc/73/08/40/284730840.db2.gz WVQYZAULPXNOPI-LBPRGKRZSA-N 0 0 331.303 2.185 40 0 biogenic,in-vitro EEABRN Cc1nn(C)c(C)c1OCC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000095412108 218349170 /nfs/dbraw/zinc/34/91/70/218349170.db2.gz DUUKUAAUASWPQH-CYBMUJFWSA-N 0 0 331.416 2.308 40 0 EEABRN CCCCn1nnnc1CNc1ccccc1N1CCC(CO)CC1 ZINC000095416352 218354959 /nfs/dbraw/zinc/35/49/59/218354959.db2.gz ZSYAODNBXJQSPF-UHFFFAOYSA-N 0 0 344.463 2.294 40 0 EEABRN COc1cc(CNn2cn[nH]c2=S)cc(Br)c1OC ZINC000008469843 210954483 /nfs/dbraw/zinc/95/44/83/210954483.db2.gz LEEDIIUBMCNQAV-UHFFFAOYSA-N 0 0 345.222 2.464 40 0 EEABRN O=C(CCn1nccc1-c1ccncc1)NC(=O)NCc1ccccc1 ZINC000095438828 218382334 /nfs/dbraw/zinc/38/23/34/218382334.db2.gz DYVXENLYQUVFIR-UHFFFAOYSA-N 0 0 349.394 2.361 40 0 EEABRN O=C(CCN1C(=O)CC2(CCCC2)C1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000095479326 218410497 /nfs/dbraw/zinc/41/04/97/218410497.db2.gz YFEONNGHNCKWDH-QLFBSQMISA-N 0 0 330.428 2.024 40 0 EEABRN Cc1cnc(N2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096082907 218582167 /nfs/dbraw/zinc/58/21/67/218582167.db2.gz XLCPYRRWIYUMNT-BZSNNMDCSA-N 0 0 340.427 2.381 40 0 EEABRN CCc1cnc(N2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000096219159 218694906 /nfs/dbraw/zinc/69/49/06/218694906.db2.gz WBANSYWKJZPWQV-KSSFIOAISA-N 0 0 343.406 2.423 40 0 EEABRN COc1cccc(N2C[C@]3(CCN(C(=O)CC4CC4)C3)CC2=O)c1 ZINC000096238940 218711582 /nfs/dbraw/zinc/71/15/82/218711582.db2.gz AUDPKHINQQECEO-LJQANCHMSA-N 0 0 328.412 2.451 40 0 EEABRN CC(C)Nc1nc2c(c(NC3CC3)n1)CN(c1ncc(F)cn1)CC2 ZINC000096254166 218723147 /nfs/dbraw/zinc/72/31/47/218723147.db2.gz FRHGDQJFSHHAES-UHFFFAOYSA-N 0 0 343.410 2.363 40 0 EEABRN CN(CC(=O)Nc1ccncc1)CC(=O)Nc1cccc(Cl)c1 ZINC000096403656 218752019 /nfs/dbraw/zinc/75/20/19/218752019.db2.gz BDMXHVIPLJTFNN-UHFFFAOYSA-N 0 0 332.791 2.244 40 0 EEABRN NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000096404734 218754607 /nfs/dbraw/zinc/75/46/07/218754607.db2.gz JPENEENUSKIHMJ-XXILOJSOSA-N 0 0 327.211 2.431 40 0 EEABRN Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000096413480 218770276 /nfs/dbraw/zinc/77/02/76/218770276.db2.gz NXFGXZXDZYKKGR-CYBMUJFWSA-N 0 0 332.791 2.376 40 0 EEABRN CS(=O)(=O)NCCCNC(=O)C1(c2cccs2)CCCCC1 ZINC000096414261 218771370 /nfs/dbraw/zinc/77/13/70/218771370.db2.gz LCHSIRXNOLZSDY-UHFFFAOYSA-N 0 0 344.502 2.006 40 0 EEABRN CN1C[C@@H](NC(=O)NCc2ccc(F)cc2C(F)(F)F)CCC1=O ZINC000096415228 218774418 /nfs/dbraw/zinc/77/44/18/218774418.db2.gz OGFUBUKSDJXDEL-NSHDSACASA-N 0 0 347.312 2.265 40 0 EEABRN COC[C@@H](C)C(=O)Nc1ncc(F)cc1I ZINC000096494829 218873008 /nfs/dbraw/zinc/87/30/08/218873008.db2.gz DZAWCIHDXADJJC-ZCFIWIBFSA-N 0 0 338.120 2.046 40 0 EEABRN CSc1nnc(CNC(=O)Cc2c(F)cccc2Cl)n1C ZINC000005001722 210357645 /nfs/dbraw/zinc/35/76/45/210357645.db2.gz RYPPNCALMDGDPM-UHFFFAOYSA-N 0 0 328.800 2.188 40 0 EEABRN C[C@@H](Cn1ccnc1)NC(=O)COc1ccccc1Br ZINC000097230236 219000586 /nfs/dbraw/zinc/00/05/86/219000586.db2.gz FXQNVIYPPOEHOO-NSHDSACASA-N 0 0 338.205 2.229 40 0 EEABRN Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1C1CC1 ZINC000004861168 210304748 /nfs/dbraw/zinc/30/47/48/210304748.db2.gz BIJBTZAJOZUDCQ-UHFFFAOYSA-N 0 0 328.441 2.370 40 0 EEABRN CCNC(=O)c1cc(I)c(OC)c(OCC)c1 ZINC000409375589 257872165 /nfs/dbraw/zinc/87/21/65/257872165.db2.gz MTRFADSIJLNJSJ-UHFFFAOYSA-N 0 0 349.168 2.448 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cc(C)on2)cc1 ZINC000257224098 286363485 /nfs/dbraw/zinc/36/34/85/286363485.db2.gz FAHMVYUIIYRHLR-SFHVURJKSA-N 0 0 329.400 2.397 40 0 EEABRN CO[C@@]1(C)C[C@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C ZINC000074941331 159071752 /nfs/dbraw/zinc/07/17/52/159071752.db2.gz ZDBGXQULBOENSC-GUYCJALGSA-N 0 0 336.436 2.471 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)[nH]n1 ZINC000161863485 225706111 /nfs/dbraw/zinc/70/61/11/225706111.db2.gz CGAASGSBJLOWSV-GFCCVEGCSA-N 0 0 343.431 2.481 40 0 EEABRN C[C@@H]1OCCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)[C@H]1C ZINC000190053741 262497228 /nfs/dbraw/zinc/49/72/28/262497228.db2.gz VXJUVVJTOMGMOM-YUMQZZPRSA-N 0 0 332.734 2.193 40 0 EEABRN CN1C(=O)C[C@@H](Nc2nccn3cnnc23)[C@@H]1c1ccc(Cl)cc1 ZINC000241644447 277013196 /nfs/dbraw/zinc/01/31/96/277013196.db2.gz PQUVLWVLDUIJRU-OCCSQVGLSA-N 0 0 342.790 2.162 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1Sc2ccccc2CN(C=C=O)C1=O ZINC000064219578 277204760 /nfs/dbraw/zinc/20/47/60/277204760.db2.gz DTUQEWBBYPLBJE-ZDUSSCGKSA-N 0 0 334.397 2.317 40 0 EEABRN CC(C)Cc1cc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc(=O)[nH]1 ZINC000096495186 279240146 /nfs/dbraw/zinc/24/01/46/279240146.db2.gz OFVUSMZYRGWHFL-INIZCTEOSA-N 0 0 342.443 2.457 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 ZINC000057355926 279693910 /nfs/dbraw/zinc/69/39/10/279693910.db2.gz AKCYXIDWGBKPCA-AEFFLSMTSA-N 0 0 332.444 2.447 40 0 EEABRN O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@H]1CSC(=O)N1 ZINC000096444657 279918359 /nfs/dbraw/zinc/91/83/59/279918359.db2.gz UCYGNJWRZYEWIC-GHMZBOCLSA-N 0 0 341.230 2.378 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238716 280215436 /nfs/dbraw/zinc/21/54/36/280215436.db2.gz MBTHTFQSGPVAKO-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN COc1ccc([C@H]2[C@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072242115 295252665 /nfs/dbraw/zinc/25/26/65/295252665.db2.gz OCUZXJSNAONLLV-WBVHZDCISA-N 0 0 348.468 2.180 40 0 EEABRN C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)[C@H](c2ccccc2)CO1 ZINC000096433338 300184434 /nfs/dbraw/zinc/18/44/34/300184434.db2.gz QDGVFKIVSFSSAI-FZMZJTMJSA-N 0 0 330.409 2.449 40 0 EEABRN C[C@H]1[C@H]2[C@@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@H]2N(C)C(=O)N1C ZINC000105364217 300710774 /nfs/dbraw/zinc/71/07/74/300710774.db2.gz UNJZVKFTIFAQTA-KSCVSBSBSA-N 0 0 342.443 2.394 40 0 EEABRN O=C(Cn1cccn1)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257325091 303661644 /nfs/dbraw/zinc/66/16/44/303661644.db2.gz WRKUILOYUPZOBI-INIZCTEOSA-N 0 0 338.411 2.082 40 0 EEABRN NC(=O)CC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000330961734 311803668 /nfs/dbraw/zinc/80/36/68/311803668.db2.gz PUISFFRHOLGRPN-NSHDSACASA-N 0 0 327.178 2.274 40 0 EEABRN CCc1cnc(CNC(=O)N2CC[S@](=O)C(C)(C)CC2)s1 ZINC000333589641 312170277 /nfs/dbraw/zinc/17/02/77/312170277.db2.gz LATSFXICNHKLPW-NRFANRHFSA-N 0 0 329.491 2.148 40 0 EEABRN C[C@H](NC(=O)N1CCCN2c3ccccc3C[C@@H]2C1)c1ccn(C)n1 ZINC000333691933 312183773 /nfs/dbraw/zinc/18/37/73/312183773.db2.gz CBCUEQKSEZCJSG-GOEBONIOSA-N 0 0 339.443 2.328 40 0 EEABRN Cc1cc(F)ccc1C1CCN(C(=O)NC[C@@H]2CNC(=O)C2)CC1 ZINC000334128502 312243717 /nfs/dbraw/zinc/24/37/17/312243717.db2.gz RKFUZCOERCZNFI-ZDUSSCGKSA-N 0 0 333.407 2.159 40 0 EEABRN O=C1Nc2ccccc2C[C@H]1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000528541748 317413626 /nfs/dbraw/zinc/41/36/26/317413626.db2.gz JEMXSHZYCJMLGN-USXIJHARSA-N 0 0 342.420 2.025 40 0 EEABRN NC(=O)N1CCC[C@@H]1COC(=O)c1ccc(Br)s1 ZINC000096442180 463267975 /nfs/dbraw/zinc/26/79/75/463267975.db2.gz OWYRQPBLMPMJCF-SSDOTTSWSA-N 0 0 333.207 2.211 40 0 EEABRN CC1(C)CC[C@@H](CN2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)O1 ZINC000328902657 465162394 /nfs/dbraw/zinc/16/23/94/465162394.db2.gz GWMDMDDRPXFJCR-RYUDHWBXSA-N 0 0 348.369 2.171 40 0 EEABRN COc1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)o1 ZINC000000204992 462547691 /nfs/dbraw/zinc/54/76/91/462547691.db2.gz BRTLFBDQFIOCKY-UHFFFAOYSA-N 0 0 330.384 2.255 40 0 EEABRN OC[C@@H]1CO[C@@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297649 462553519 /nfs/dbraw/zinc/55/35/19/462553519.db2.gz VJZJGRMLFMJRGG-BXUZGUMPSA-N 0 0 329.183 2.451 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)n1 ZINC000000557526 462570515 /nfs/dbraw/zinc/57/05/15/462570515.db2.gz LHPWQIJUJZVASQ-UHFFFAOYSA-N 0 0 345.215 2.127 40 0 EEABRN CCOc1ccc(S(=O)(=O)c2ccc(C)cc2)c2c1no[n+]2[O-] ZINC000001757967 462586065 /nfs/dbraw/zinc/58/60/65/462586065.db2.gz OQVJQJYCPGFYGC-UHFFFAOYSA-N 0 0 334.353 2.001 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1sc(C)nc1C ZINC000087125525 462590783 /nfs/dbraw/zinc/59/07/83/462590783.db2.gz QGOGZLGHINKQAW-LLVKDONJSA-N 0 0 334.449 2.248 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000074852629 462643167 /nfs/dbraw/zinc/64/31/67/462643167.db2.gz QNAVHIMZCFRMDE-GDBMZVCRSA-N 0 0 339.480 2.139 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 ZINC000074851068 462643279 /nfs/dbraw/zinc/64/32/79/462643279.db2.gz QUDWNYCJEZNZQV-OAHLLOKOSA-N 0 0 346.475 2.069 40 0 EEABRN C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000005278844 462653662 /nfs/dbraw/zinc/65/36/62/462653662.db2.gz DWPQTVCOPMWOHI-IIAWOOMASA-N 0 0 348.443 2.331 40 0 EEABRN CC(=O)OC[C@@H]1O[C@@H](CC(=O)c2ccccc2)C=C[C@@H]1OC(C)=O ZINC000005518328 462662161 /nfs/dbraw/zinc/66/21/61/462662161.db2.gz FAAMMBOGNPMVTL-NJAFHUGGSA-N 0 0 332.352 2.078 40 0 EEABRN O=C(Cc1cc[nH]n1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000089369480 462671492 /nfs/dbraw/zinc/67/14/92/462671492.db2.gz VOWYHKBRKYIGJE-CQSZACIVSA-N 0 0 337.326 2.154 40 0 EEABRN CCNS(=O)(=O)c1ccc(CCC(=O)NCCC(C)C)cc1 ZINC000006205797 462679685 /nfs/dbraw/zinc/67/96/85/462679685.db2.gz GOAGQZQTNYMQQH-UHFFFAOYSA-N 0 0 326.462 2.080 40 0 EEABRN CC[C@@H](C)NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007070275 462720258 /nfs/dbraw/zinc/72/02/58/462720258.db2.gz SHTBFZYKDVXBPX-MRVPVSSYSA-N 0 0 339.244 2.186 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000006450698 462686707 /nfs/dbraw/zinc/68/67/07/462686707.db2.gz VGHWTURTWOCOBI-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CSC[C@@](C)(O)CNS(=O)(=O)c1cccc2ccccc21 ZINC000075157304 462688273 /nfs/dbraw/zinc/68/82/73/462688273.db2.gz JCWOEFMQONINGC-HNNXBMFYSA-N 0 0 325.455 2.232 40 0 EEABRN CCCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006597364 462691742 /nfs/dbraw/zinc/69/17/42/462691742.db2.gz KIZWELDZFZWOPF-UHFFFAOYSA-N 0 0 349.836 2.360 40 0 EEABRN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)n1 ZINC000006607683 462692223 /nfs/dbraw/zinc/69/22/23/462692223.db2.gz ARHPPHILNXIZPJ-UHFFFAOYSA-N 0 0 326.381 2.357 40 0 EEABRN CCCCNC(=O)CCc1ccc(S(=O)(=O)NCCC)cc1 ZINC000006648167 462695177 /nfs/dbraw/zinc/69/51/77/462695177.db2.gz GQMHFTTZCAQBQV-UHFFFAOYSA-N 0 0 326.462 2.224 40 0 EEABRN CCc1nn(CC(=O)N2CCCC[C@H]2C)c(=O)c2cc3occc3n21 ZINC000006807330 462707101 /nfs/dbraw/zinc/70/71/01/462707101.db2.gz KIDKBFWFDOMJJF-GFCCVEGCSA-N 0 0 342.399 2.206 40 0 EEABRN COc1c(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c(C)nn1C ZINC000075347939 462708180 /nfs/dbraw/zinc/70/81/80/462708180.db2.gz IQWJFPDZNCADDW-LBPRGKRZSA-N 0 0 339.399 2.414 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(C)(C)C ZINC000047080917 462742210 /nfs/dbraw/zinc/74/22/10/462742210.db2.gz PGSFTHYUMRBRJO-LBPRGKRZSA-N 0 0 334.441 2.421 40 0 EEABRN COc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C=O)cc2)CC1=O ZINC000007929004 462758440 /nfs/dbraw/zinc/75/84/40/462758440.db2.gz BQDRHIMAZZYPNY-AWEZNQCLSA-N 0 0 339.347 2.466 40 0 EEABRN CCCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000008499206 462785637 /nfs/dbraw/zinc/78/56/37/462785637.db2.gz LUCBBQBIZMTQJX-UHFFFAOYSA-N 0 0 326.462 2.458 40 0 EEABRN CCCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000008495158 462786112 /nfs/dbraw/zinc/78/61/12/462786112.db2.gz SHNXOAYGDIAVSS-UHFFFAOYSA-N 0 0 326.462 2.458 40 0 EEABRN CCOc1cc2c(cc1NC(=O)NCCn1ccnc1)O[C@H](C)C2 ZINC000076095893 462807771 /nfs/dbraw/zinc/80/77/71/462807771.db2.gz UPJHIEGOZUTGDA-GFCCVEGCSA-N 0 0 330.388 2.427 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010324766 462817219 /nfs/dbraw/zinc/81/72/19/462817219.db2.gz ZSVDISLBYPMRLB-GFCCVEGCSA-N 0 0 330.409 2.186 40 0 EEABRN O=S1(=O)CC[C@@H](NC[C@H](O)c2ccco2)c2cc(Cl)ccc21 ZINC000155018075 462836489 /nfs/dbraw/zinc/83/64/89/462836489.db2.gz ISWJWOSSBHGOHK-OLZOCXBDSA-N 0 0 341.816 2.475 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000076377991 462850830 /nfs/dbraw/zinc/85/08/30/462850830.db2.gz IQXZBFVKSAUXCJ-VHSXEESVSA-N 0 0 335.347 2.190 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000076377335 462850898 /nfs/dbraw/zinc/85/08/98/462850898.db2.gz KXFADWRZCUKWDC-KGLIPLIRSA-N 0 0 329.849 2.355 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000155705582 462930814 /nfs/dbraw/zinc/93/08/14/462930814.db2.gz NYYFWROMEMPDCC-CQSZACIVSA-N 0 0 346.456 2.492 40 0 EEABRN Cn1cc(CCSCc2nc(N)nc(Nc3ccccc3)n2)cn1 ZINC000077411475 462982592 /nfs/dbraw/zinc/98/25/92/462982592.db2.gz YYWPGRRJTSXFGD-UHFFFAOYSA-N 0 0 341.444 2.407 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)no1 ZINC000077613538 463011515 /nfs/dbraw/zinc/01/15/15/463011515.db2.gz KXPVSXVWMJYSHV-SECBINFHSA-N 0 0 345.182 2.460 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 ZINC000019495873 463017348 /nfs/dbraw/zinc/01/73/48/463017348.db2.gz HZHAWUQIVXELRR-UKRRQHHQSA-N 0 0 342.439 2.481 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1coc2ccccc12 ZINC000077665688 463019324 /nfs/dbraw/zinc/01/93/24/463019324.db2.gz UXPGXHVNAZWBBB-VXGBXAGGSA-N 0 0 336.413 2.150 40 0 EEABRN COc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(N)c1 ZINC000020154088 463025666 /nfs/dbraw/zinc/02/56/66/463025666.db2.gz XSRPFBNYDBBZJQ-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000077914146 463071362 /nfs/dbraw/zinc/07/13/62/463071362.db2.gz JRMHOJZFURRIDK-HNNXBMFYSA-N 0 0 344.386 2.355 40 0 EEABRN O=C(CNc1cccc(F)c1I)NC1CC1 ZINC000134924435 463098107 /nfs/dbraw/zinc/09/81/07/463098107.db2.gz VTVUSRYPGTXACV-UHFFFAOYSA-N 0 0 334.132 2.121 40 0 EEABRN Cc1ccccc1C1(CNC(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000135070081 463115009 /nfs/dbraw/zinc/11/50/09/463115009.db2.gz MOZPUCJKEGPKEX-HZPDHXFCSA-N 0 0 332.444 2.208 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(F)cc1)C2 ZINC000096039231 463143566 /nfs/dbraw/zinc/14/35/66/463143566.db2.gz BZXPKJDGOMFBCO-SJLPKXTDSA-N 0 0 337.391 2.249 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc(F)c(OC)c1)C2 ZINC000096039241 463144157 /nfs/dbraw/zinc/14/41/57/463144157.db2.gz RUWVCQJOMROWDJ-FUHWJXTLSA-N 0 0 337.391 2.492 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)c1 ZINC000096041840 463146165 /nfs/dbraw/zinc/14/61/65/463146165.db2.gz URMMBTNJGUGBPM-RCCFBDPRSA-N 0 0 331.416 2.315 40 0 EEABRN Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 ZINC000096042304 463147783 /nfs/dbraw/zinc/14/77/83/463147783.db2.gz KCJUVYIWXQDBIG-YESZJQIVSA-N 0 0 329.375 2.427 40 0 EEABRN O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)C1CC=CC1 ZINC000096044440 463149077 /nfs/dbraw/zinc/14/90/77/463149077.db2.gz SXSWNXUZWKGCKI-KRWDZBQOSA-N 0 0 345.443 2.006 40 0 EEABRN O=C(c1ccncc1)N1CC[C@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096043651 463149128 /nfs/dbraw/zinc/14/91/28/463149128.db2.gz GGXGAXLUYIIQFL-RRFJBIMHSA-N 0 0 340.383 2.334 40 0 EEABRN CCOC[C@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045621 463150492 /nfs/dbraw/zinc/15/04/92/463150492.db2.gz FUAJGAZULINYOZ-MRXNPFEDSA-N 0 0 327.432 2.219 40 0 EEABRN O=C(c1cccs1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC000096049169 463153027 /nfs/dbraw/zinc/15/30/27/463153027.db2.gz PYBDWCILJJWHDJ-KRWDZBQOSA-N 0 0 344.440 2.050 40 0 EEABRN COc1ccc(CN2CCn3c(Cn4cncn4)cnc3[C@H]2C)cc1 ZINC000096062092 463161948 /nfs/dbraw/zinc/16/19/48/463161948.db2.gz SGOBZPWZSWRWFM-CQSZACIVSA-N 0 0 338.415 2.108 40 0 EEABRN O=C(c1ccco1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096075441 463168899 /nfs/dbraw/zinc/16/88/99/463168899.db2.gz ZKBBDXDDIMCQAG-UHFFFAOYSA-N 0 0 339.395 2.472 40 0 EEABRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(N)=O ZINC000026744235 463170310 /nfs/dbraw/zinc/17/03/10/463170310.db2.gz HVSZATBYNPTPHS-LBPRGKRZSA-N 0 0 330.409 2.234 40 0 EEABRN CO[C@@]1(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CCSC1 ZINC000096097645 463172259 /nfs/dbraw/zinc/17/22/59/463172259.db2.gz MYWXMIPERFNQMC-QGZVFWFLSA-N 0 0 349.431 2.478 40 0 EEABRN Cn1nc(CNS(=O)(=O)c2ccc(Cl)s2)cc1C1CC1 ZINC000096099358 463173382 /nfs/dbraw/zinc/17/33/82/463173382.db2.gz CQBXNTWRCJVGBQ-UHFFFAOYSA-N 0 0 331.850 2.491 40 0 EEABRN O=C(NC1CCCCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104308 463174376 /nfs/dbraw/zinc/17/43/76/463174376.db2.gz FNAIHUKNNMSWNH-UHFFFAOYSA-N 0 0 340.420 2.326 40 0 EEABRN C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccs1 ZINC000096109708 463178525 /nfs/dbraw/zinc/17/85/25/463178525.db2.gz JKGPFRNZIXNBJD-CYBMUJFWSA-N 0 0 348.472 2.126 40 0 EEABRN Cc1cccc(OC2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000096119568 463181496 /nfs/dbraw/zinc/18/14/96/463181496.db2.gz SBCBNYSHNUFHLY-UHFFFAOYSA-N 0 0 333.413 2.017 40 0 EEABRN CC1(C)Cc2cccc(OCC(=O)N3CCc4ncncc4C3)c2O1 ZINC000096122750 463181855 /nfs/dbraw/zinc/18/18/55/463181855.db2.gz ROYCMJMWFLUUMI-UHFFFAOYSA-N 0 0 339.395 2.154 40 0 EEABRN COCc1nc(N2CCCC2)ncc1C(=O)NCc1ccccc1 ZINC000096182605 463194263 /nfs/dbraw/zinc/19/42/63/463194263.db2.gz BQRPUTOZSJJLTO-UHFFFAOYSA-N 0 0 326.400 2.153 40 0 EEABRN COc1c(C(=O)NCc2ccccc2F)nnn1Cc1ccccc1 ZINC000096183451 463196151 /nfs/dbraw/zinc/19/61/51/463196151.db2.gz ZHBOKFPZPHJFJE-UHFFFAOYSA-N 0 0 340.358 2.404 40 0 EEABRN COCCN1CCN(C(=O)c2cccc(OC)c2)Cc2cccnc21 ZINC000096198866 463204447 /nfs/dbraw/zinc/20/44/47/463204447.db2.gz CFFCHWFXTCUSFA-UHFFFAOYSA-N 0 0 341.411 2.199 40 0 EEABRN Cc1ccc2c(n1)N(CC1CC1)CCN(C(=O)C1CCOCC1)C2 ZINC000096199089 463204548 /nfs/dbraw/zinc/20/45/48/463204548.db2.gz COJIIQDQALWWQA-UHFFFAOYSA-N 0 0 329.444 2.375 40 0 EEABRN O=C(c1ccc[nH]1)N1CCN(Cc2ccncc2)c2ncccc2C1 ZINC000096198977 463204628 /nfs/dbraw/zinc/20/46/28/463204628.db2.gz PBYFOCLEBHULHQ-UHFFFAOYSA-N 0 0 333.395 2.467 40 0 EEABRN C[C@H]1c2ncc(COCC3CCOCC3)n2CCN1c1ncccn1 ZINC000096206359 463208199 /nfs/dbraw/zinc/20/81/99/463208199.db2.gz VMJVSHWKXNOYRP-AWEZNQCLSA-N 0 0 343.431 2.198 40 0 EEABRN Cc1nc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)cs1 ZINC000096207107 463210527 /nfs/dbraw/zinc/21/05/27/463210527.db2.gz XJJUYZBOUQOTHX-CQSZACIVSA-N 0 0 346.456 2.347 40 0 EEABRN Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)cn1 ZINC000096209058 463212109 /nfs/dbraw/zinc/21/21/09/463212109.db2.gz VDVBJHXPBPESEQ-APWZRJJASA-N 0 0 340.427 2.274 40 0 EEABRN Cn1ccnc1CN1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 ZINC000096250838 463227479 /nfs/dbraw/zinc/22/74/79/463227479.db2.gz LCWPVGHTFOAFQZ-CGTJXYLNSA-N 0 0 342.443 2.011 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)c3cn4cccnc4n3)c2c1 ZINC000096405930 463239366 /nfs/dbraw/zinc/23/93/66/463239366.db2.gz CJWJMHHFTVIFKZ-UHFFFAOYSA-N 0 0 335.367 2.192 40 0 EEABRN O=S1(=O)CC[C@@H](N(Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000096406593 463240353 /nfs/dbraw/zinc/24/03/53/463240353.db2.gz RDXMTOSXNFFUCC-RTBURBONSA-N 0 0 349.496 2.343 40 0 EEABRN CCOCCC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408174 463241459 /nfs/dbraw/zinc/24/14/59/463241459.db2.gz OMHNISFIFPHLKC-LBPRGKRZSA-N 0 0 328.359 2.410 40 0 EEABRN CCc1ccc(NC(=O)C[C@H](C)n2cccc2)cc1S(N)(=O)=O ZINC000096408398 463241573 /nfs/dbraw/zinc/24/15/73/463241573.db2.gz CKFPZJGYIFJZAL-LBPRGKRZSA-N 0 0 335.429 2.288 40 0 EEABRN COC(=O)[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(F)cc1 ZINC000096410442 463243802 /nfs/dbraw/zinc/24/38/02/463243802.db2.gz GOFYXMVCTYHDSO-KRWDZBQOSA-N 0 0 340.358 2.410 40 0 EEABRN CS[C@@H](CO)[C@@H](C)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000096417307 463249399 /nfs/dbraw/zinc/24/93/99/463249399.db2.gz AWDYGEMHVKRDDP-RISCZKNCSA-N 0 0 329.429 2.316 40 0 EEABRN CN([C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000096419790 463251860 /nfs/dbraw/zinc/25/18/60/463251860.db2.gz BMEBZXCXDSPNMY-UHTWSYAYSA-N 0 0 330.837 2.169 40 0 EEABRN CCn1cc(NC(=O)C(=O)NC[C@H](C)c2cccc(C)c2)ccc1=O ZINC000096422121 463252713 /nfs/dbraw/zinc/25/27/13/463252713.db2.gz VVDQFDGEIKPHPQ-AWEZNQCLSA-N 0 0 341.411 2.035 40 0 EEABRN CN(C)C(=O)c1cccc(CCNC(=O)c2cccc3c[nH]nc32)c1 ZINC000096423850 463253526 /nfs/dbraw/zinc/25/35/26/463253526.db2.gz SNCFTPLYIWHUPC-UHFFFAOYSA-N 0 0 336.395 2.237 40 0 EEABRN COCCN(Cc1ccccn1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000096426276 463256215 /nfs/dbraw/zinc/25/62/15/463256215.db2.gz UENGSYQPPGHZBX-MRXNPFEDSA-N 0 0 330.359 2.199 40 0 EEABRN C[C@@H](CCc1ccccc1F)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000096431226 463259879 /nfs/dbraw/zinc/25/98/79/463259879.db2.gz LXTSPIQSGOAJLV-KBPBESRZSA-N 0 0 341.448 2.288 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000029598428 463264268 /nfs/dbraw/zinc/26/42/68/463264268.db2.gz JUQNBZLKNJMTCX-UHFFFAOYSA-N 0 0 346.427 2.178 40 0 EEABRN CCc1nsc(N2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)n1 ZINC000096437629 463265993 /nfs/dbraw/zinc/26/59/93/463265993.db2.gz BSVCNHCJXDYBCN-LBPRGKRZSA-N 0 0 346.460 2.088 40 0 EEABRN NC(=O)N1CCC[C@@H]1COC(=O)c1ccc(F)cc1Br ZINC000096442226 463268050 /nfs/dbraw/zinc/26/80/50/463268050.db2.gz DIUBJXYMCQMKTB-SECBINFHSA-N 0 0 345.168 2.288 40 0 EEABRN Cc1cc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)no1 ZINC000096454569 463273991 /nfs/dbraw/zinc/27/39/91/463273991.db2.gz XZXWMNDNQZNLJX-CQSZACIVSA-N 0 0 341.289 2.132 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000096468430 463277707 /nfs/dbraw/zinc/27/77/07/463277707.db2.gz IJBJXCXIQYMUSX-MRXNPFEDSA-N 0 0 343.431 2.297 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000096468427 463278039 /nfs/dbraw/zinc/27/80/39/463278039.db2.gz IJBJXCXIQYMUSX-INIZCTEOSA-N 0 0 343.431 2.297 40 0 EEABRN CCNC(=O)CNC(=O)N[C@H](CC)c1ccccc1Br ZINC000096475180 463279747 /nfs/dbraw/zinc/27/97/47/463279747.db2.gz OCFIMYDGSDHVMI-GFCCVEGCSA-N 0 0 342.237 2.336 40 0 EEABRN O=C(Cn1c2ccccc2nc1-c1cscn1)NCC1(CO)CC1 ZINC000096475630 463280001 /nfs/dbraw/zinc/28/00/01/463280001.db2.gz SMBNIHHUFTWNJK-UHFFFAOYSA-N 0 0 342.424 2.049 40 0 EEABRN Cn1cc(Nc2cccc(C(=O)Nc3ccnc4ccnn43)c2)cn1 ZINC000096481458 463281531 /nfs/dbraw/zinc/28/15/31/463281531.db2.gz OQSMVQXEWYDWTO-UHFFFAOYSA-N 0 0 333.355 2.459 40 0 EEABRN CC1=C(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCCO1 ZINC000096484859 463283792 /nfs/dbraw/zinc/28/37/92/463283792.db2.gz CAVAZQAPYKXTGL-SFHVURJKSA-N 0 0 344.455 2.131 40 0 EEABRN COCCn1cc(NC(=O)c2cnn(C3CCCC3)c2C)ccc1=O ZINC000096486436 463283930 /nfs/dbraw/zinc/28/39/30/463283930.db2.gz ZLUPOKWBBLDGMO-UHFFFAOYSA-N 0 0 344.415 2.367 40 0 EEABRN CN(Cc1ccccc1OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000096489412 463285006 /nfs/dbraw/zinc/28/50/06/463285006.db2.gz DXXRUSOOBBSAAG-QGZVFWFLSA-N 0 0 346.452 2.280 40 0 EEABRN CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H](O)C1 ZINC000096501795 463291021 /nfs/dbraw/zinc/29/10/21/463291021.db2.gz RXVDENCWLKDGNF-SNVBAGLBSA-N 0 0 329.194 2.446 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000030289082 463293009 /nfs/dbraw/zinc/29/30/09/463293009.db2.gz FZLCNYHRKLJXOG-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccccc1F ZINC000096521398 463293844 /nfs/dbraw/zinc/29/38/44/463293844.db2.gz PDQMPWQQERIYDC-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN O=C(NCc1cccnc1)C1CCN(C(=O)C2=CCCCC2)CC1 ZINC000097103821 463325672 /nfs/dbraw/zinc/32/56/72/463325672.db2.gz RZFFVPAOEIVJDA-UHFFFAOYSA-N 0 0 327.428 2.437 40 0 EEABRN CCc1cc(C(=O)O[C@H](C)c2ccc(-n3cncn3)cc2)cc(=O)[nH]1 ZINC000097374863 463356818 /nfs/dbraw/zinc/35/68/18/463356818.db2.gz BDYQIDJKQLOLJR-GFCCVEGCSA-N 0 0 338.367 2.436 40 0 EEABRN COCc1cccc(S(=O)(=O)NCCCn2nc(C)cc2C)c1 ZINC000071195363 463411284 /nfs/dbraw/zinc/41/12/84/463411284.db2.gz KJCZSBWNKZMFFB-UHFFFAOYSA-N 0 0 337.445 2.015 40 0 EEABRN Cc1cc(NC(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)n(C)n1 ZINC000057279873 463474226 /nfs/dbraw/zinc/47/42/26/463474226.db2.gz RJMMDLAAPHROLQ-MRXNPFEDSA-N 0 0 330.413 2.194 40 0 EEABRN Cc1nc(C(=O)NC2CCC(O)CC2)nn1-c1ccccc1Cl ZINC000058243412 463558310 /nfs/dbraw/zinc/55/83/10/463558310.db2.gz ZFCKYCUSPPAZDY-UHFFFAOYSA-N 0 0 334.807 2.262 40 0 EEABRN CC(C)(O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC000083751292 463559918 /nfs/dbraw/zinc/55/99/18/463559918.db2.gz PIIBFGUTRYVJTH-AWEZNQCLSA-N 0 0 336.823 2.196 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccs3)C2=O)o1 ZINC000107712331 463580235 /nfs/dbraw/zinc/58/02/35/463580235.db2.gz PVFYGSJASMRIHD-XFFZJAGNSA-N 0 0 332.337 2.221 40 0 EEABRN CCc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000058611780 463613191 /nfs/dbraw/zinc/61/31/91/463613191.db2.gz MRBFKXKNMPARFT-UHFFFAOYSA-N 0 0 339.438 2.453 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)o1 ZINC000084582428 463613732 /nfs/dbraw/zinc/61/37/32/463613732.db2.gz MANZAODVNDJXRQ-SNVBAGLBSA-N 0 0 340.401 2.231 40 0 EEABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(C(=O)OC)CC1 ZINC000044845266 463695554 /nfs/dbraw/zinc/69/55/54/463695554.db2.gz WKARACPVSRLMIX-INIZCTEOSA-N 0 0 335.400 2.264 40 0 EEABRN CCOCc1c2ccccc2oc1C(=O)N1CCN(C(C)=O)CC1 ZINC000044866247 463696494 /nfs/dbraw/zinc/69/64/94/463696494.db2.gz GEJNYMHTTKXBRO-UHFFFAOYSA-N 0 0 330.384 2.274 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)n1 ZINC000257228338 463756416 /nfs/dbraw/zinc/75/64/16/463756416.db2.gz FTLHFRUTAQFBIF-HNNXBMFYSA-N 0 0 325.368 2.094 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)ccn1 ZINC000257285081 463761750 /nfs/dbraw/zinc/76/17/50/463761750.db2.gz PFONIAHFFVNXPK-CYBMUJFWSA-N 0 0 333.823 2.379 40 0 EEABRN Cc1ccc(CC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)s1 ZINC000257286829 463763325 /nfs/dbraw/zinc/76/33/25/463763325.db2.gz PNGADEWSWWVYQU-SFHVURJKSA-N 0 0 345.468 2.142 40 0 EEABRN COc1cccc(F)c1CN1CCOC[C@H]1c1cc(=O)[nH]c(C)n1 ZINC000257290042 463764925 /nfs/dbraw/zinc/76/49/25/463764925.db2.gz QBHTVBKLJGPINM-HNNXBMFYSA-N 0 0 333.363 2.212 40 0 EEABRN Cc1cc(NC(=O)N(CCO)CC(F)F)nn1-c1cccc(F)c1 ZINC000194002454 463770503 /nfs/dbraw/zinc/77/05/03/463770503.db2.gz GNKXSKKWFIOWMY-UHFFFAOYSA-N 0 0 342.321 2.411 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000257313533 463774018 /nfs/dbraw/zinc/77/40/18/463774018.db2.gz UTAMLFBXVZILNF-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN CC(C)n1nccc1-c1cnc([C@H]2CCCN2S(C)(=O)=O)cn1 ZINC000257334334 463782339 /nfs/dbraw/zinc/78/23/39/463782339.db2.gz YFLLOXOHOIXODU-CQSZACIVSA-N 0 0 335.433 2.018 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257334350 463782729 /nfs/dbraw/zinc/78/27/29/463782729.db2.gz YFNHOYRUKLYBQX-HOCLYGCPSA-N 0 0 327.783 2.164 40 0 EEABRN O=C(c1cc2ccccc2[nH]1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257334044 463783098 /nfs/dbraw/zinc/78/30/98/463783098.db2.gz YEHFZQGLCJOLMF-MRXNPFEDSA-N 0 0 336.395 2.432 40 0 EEABRN Cc1cncc([C@@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 ZINC000257341284 463785894 /nfs/dbraw/zinc/78/58/94/463785894.db2.gz ZJRCTBFVTSVWRZ-QGZVFWFLSA-N 0 0 339.443 2.018 40 0 EEABRN Cc1nn(C)cc1CN1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341296 463785931 /nfs/dbraw/zinc/78/59/31/463785931.db2.gz ZJTIGTJWOYCEKG-SFHVURJKSA-N 0 0 338.415 2.087 40 0 EEABRN CCn1cc(C(=O)N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cn1 ZINC000257344637 463787694 /nfs/dbraw/zinc/78/76/94/463787694.db2.gz ZYCVUGGQNOGKJR-XOKHGSTOSA-N 0 0 326.400 2.228 40 0 EEABRN CCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cccc(N)c1 ZINC000261749785 463848808 /nfs/dbraw/zinc/84/88/08/463848808.db2.gz UOYXCLSEMLHBTA-INIZCTEOSA-N 0 0 326.396 2.500 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438243 464053680 /nfs/dbraw/zinc/05/36/80/464053680.db2.gz FPQPNORIBKFNDE-KCPJHIHWSA-N 0 0 346.880 2.040 40 0 EEABRN C[C@@H]1C[C@H]1[C@@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1 ZINC000195530927 464071716 /nfs/dbraw/zinc/07/17/16/464071716.db2.gz JMNMONKAZWAHBC-BCQZVRRWSA-N 0 0 326.849 2.372 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCc3ccc(F)cc32)CC1 ZINC000179387479 464125311 /nfs/dbraw/zinc/12/53/11/464125311.db2.gz GGIDTVIAOGRRPB-ZDUSSCGKSA-N 0 0 348.418 2.378 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000225448600 464161298 /nfs/dbraw/zinc/16/12/98/464161298.db2.gz QRNHDIKPLURFRS-GFCCVEGCSA-N 0 0 344.864 2.363 40 0 EEABRN COc1ccc(C(=O)N2CCc3ccccc32)cc1N1CCNC1=O ZINC000172926125 464164364 /nfs/dbraw/zinc/16/43/64/464164364.db2.gz RJKLNSLLQUHFAH-UHFFFAOYSA-N 0 0 337.379 2.428 40 0 EEABRN S=C(Nc1nc(N2CCCC2)cc(N2CCCC2)n1)NC1CC1 ZINC000226002770 464182532 /nfs/dbraw/zinc/18/25/32/464182532.db2.gz ZTJWJYZQHNMDGF-UHFFFAOYSA-N 0 0 332.477 2.126 40 0 EEABRN C[C@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H]1C ZINC000179862531 464201118 /nfs/dbraw/zinc/20/11/18/464201118.db2.gz DYPGDWXFAOHLIK-STQMWFEESA-N 0 0 339.461 2.388 40 0 EEABRN O=C(c1cnsn1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000241121821 464448932 /nfs/dbraw/zinc/44/89/32/464448932.db2.gz JEDCKPSEMZQQJP-GFCCVEGCSA-N 0 0 341.339 2.353 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000240934420 464449551 /nfs/dbraw/zinc/44/95/51/464449551.db2.gz JBYYWDCRYVMLLO-LLVKDONJSA-N 0 0 347.337 2.219 40 0 EEABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O ZINC000243866837 464459145 /nfs/dbraw/zinc/45/91/45/464459145.db2.gz RKNKZSTWMUPGKO-OLZOCXBDSA-N 0 0 336.819 2.297 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000245339333 464470716 /nfs/dbraw/zinc/47/07/16/464470716.db2.gz SCJWDNBHMDHMTN-KXNHARMFSA-N 0 0 327.783 2.191 40 0 EEABRN Cc1cc2c(ncnc2N2CCN(C[C@@H](O)C(F)(F)F)CC2)s1 ZINC000189512258 464521979 /nfs/dbraw/zinc/52/19/79/464521979.db2.gz VKSNWXHKLDYEPF-LLVKDONJSA-N 0 0 346.378 2.045 40 0 EEABRN Cc1nncn1CCNC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000182476423 464664747 /nfs/dbraw/zinc/66/47/47/464664747.db2.gz ZZVRBDRVKBWWRR-UHFFFAOYSA-N 0 0 345.403 2.203 40 0 EEABRN O=C(NCc1cccs1)[C@H]1CN(CC2CCC2)Cc2ccnn21 ZINC000247467901 464682630 /nfs/dbraw/zinc/68/26/30/464682630.db2.gz DFRSSSBJBNYMBN-MRXNPFEDSA-N 0 0 330.457 2.418 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccnc1)c1ccco1 ZINC000247505959 464688391 /nfs/dbraw/zinc/68/83/91/464688391.db2.gz RNANTIGPSUUVHE-JZXOWHBKSA-N 0 0 341.411 2.084 40 0 EEABRN O=C1C[C@H](NCc2ccc(Br)o2)CN1CC(F)(F)F ZINC000191150531 464786116 /nfs/dbraw/zinc/78/61/16/464786116.db2.gz BAIXRWANMMOHOV-ZETCQYMHSA-N 0 0 341.127 2.295 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000248799262 464802093 /nfs/dbraw/zinc/80/20/93/464802093.db2.gz ZQJALDHZPZNJLH-QWHCGFSZSA-N 0 0 328.420 2.358 40 0 EEABRN O=C(Cc1ccc(-n2cnnn2)cc1)N(c1ccccc1)[C@H]1CCOC1 ZINC000192079543 464861260 /nfs/dbraw/zinc/86/12/60/464861260.db2.gz KPDATAXWEFSHOU-SFHVURJKSA-N 0 0 349.394 2.027 40 0 EEABRN Cc1occc1C(=O)NC1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000192259601 464896082 /nfs/dbraw/zinc/89/60/82/464896082.db2.gz MDOHKTKSOVWVBV-UHFFFAOYSA-N 0 0 349.337 2.296 40 0 EEABRN COc1ccc(CN(CC2CCC2)S(=O)(=O)N(C)C)c(OC)c1 ZINC000282802013 464955457 /nfs/dbraw/zinc/95/54/57/464955457.db2.gz RPCBOYJYEQDUHW-UHFFFAOYSA-N 0 0 342.461 2.112 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2nnc(C)o2)[C@@H](C)C1 ZINC000252485406 464963544 /nfs/dbraw/zinc/96/35/44/464963544.db2.gz GUDQRBFUJZUNFE-AWEZNQCLSA-N 0 0 330.432 2.483 40 0 EEABRN Cc1cc(=O)n2nc(CSCC(=O)Nc3ccccc3)sc2n1 ZINC000252492094 464968562 /nfs/dbraw/zinc/96/85/62/464968562.db2.gz MCLCDUOQNBCPHV-UHFFFAOYSA-N 0 0 346.437 2.331 40 0 EEABRN C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(N(C)C)c2ccccc2n1 ZINC000253408049 465002804 /nfs/dbraw/zinc/00/28/04/465002804.db2.gz TZLHBPJVDMVUSR-SFDCACGMSA-N 0 0 333.457 2.140 40 0 EEABRN COc1ccnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000253416437 465004178 /nfs/dbraw/zinc/00/41/78/465004178.db2.gz CRIYXJNIIAZOIW-LLVKDONJSA-N 0 0 347.806 2.389 40 0 EEABRN Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000253431391 465014331 /nfs/dbraw/zinc/01/43/31/465014331.db2.gz VMWSBXGXMXZOGO-ZDUSSCGKSA-N 0 0 345.424 2.329 40 0 EEABRN O=C(c1cccs1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000306127721 466489060 /nfs/dbraw/zinc/48/90/60/466489060.db2.gz GFOAEUICKCSXRM-KGLIPLIRSA-N 0 0 327.409 2.159 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](COc3ncccn3)C2)o1 ZINC000306125495 466490176 /nfs/dbraw/zinc/49/01/76/466490176.db2.gz CSNLFDHGBXVXJC-OAHLLOKOSA-N 0 0 325.372 2.210 40 0 EEABRN Cc1cc2c(nc3s/c(=C\c4ccc(O)cc4O)c(=O)n23)c(C)c1 ZINC000408721382 466682175 /nfs/dbraw/zinc/68/21/75/466682175.db2.gz QHXVKWBCASYHBR-CHHVJCJISA-N 0 0 338.388 2.485 40 0 EEABRN CO[C@H]1CSC2(CN(S(=O)(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000575402612 468140747 /nfs/dbraw/zinc/14/07/47/468140747.db2.gz CTUUADBBKAUSMV-CYBMUJFWSA-N 0 0 327.471 2.198 40 0 EEABRN CC(C)CCC(=O)N1CC2(C1)CC[C@@H](CN1CCCCC1=O)CO2 ZINC000575404266 468141859 /nfs/dbraw/zinc/14/18/59/468141859.db2.gz ARWKPAWOUHDJCP-INIZCTEOSA-N 0 0 336.476 2.443 40 0 EEABRN O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1ccccc1 ZINC000575403665 468142015 /nfs/dbraw/zinc/14/20/15/468142015.db2.gz JWQZUOXHDNYBJE-HNNXBMFYSA-N 0 0 342.439 2.224 40 0 EEABRN Cc1cncc(C(=O)N2Cc3ccnn3[C@H](COc3ccccn3)C2)c1 ZINC000575405801 468142690 /nfs/dbraw/zinc/14/26/90/468142690.db2.gz UKCSPASWXGZRIK-KRWDZBQOSA-N 0 0 349.394 2.258 40 0 EEABRN O=C(Nc1cc(C2CC2)[nH]n1)c1cnn(-c2ccncc2)c1C(F)F ZINC000572144085 468892400 /nfs/dbraw/zinc/89/24/00/468892400.db2.gz AKHPNLLIITVXMI-UHFFFAOYSA-N 0 0 344.325 3.058 40 0 EEABRN O=C(CN1CCCC1=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000585090790 468962356 /nfs/dbraw/zinc/96/23/56/468962356.db2.gz IXKGTQJGBWLQOD-UHFFFAOYSA-N 0 0 342.317 2.313 40 0 EEABRN O=C(Nc1n[nH]c2cc(F)ccc21)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000585108318 468972072 /nfs/dbraw/zinc/97/20/72/468972072.db2.gz HLHVMFHJIMQXHU-HIFRSBDPSA-N 0 0 344.390 2.822 40 0 EEABRN Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2C1 ZINC000585109303 468973720 /nfs/dbraw/zinc/97/37/20/468973720.db2.gz IEOZXXTUDXPFFB-DUVNUKRYSA-N 0 0 346.402 2.032 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)C1CCC1 ZINC000585112671 468974992 /nfs/dbraw/zinc/97/49/92/468974992.db2.gz VDNAUWYQQVRKKW-OAHLLOKOSA-N 0 0 328.416 2.339 40 0 EEABRN CC(C)N1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112998 468976533 /nfs/dbraw/zinc/97/65/33/468976533.db2.gz ZRIFPFHINBGBTE-MRXNPFEDSA-N 0 0 348.472 2.017 40 0 EEABRN O=C(Nc1cccc(Cc2nn[nH]n2)c1)N[C@@H](C1CC1)C(F)(F)F ZINC000585141337 468989617 /nfs/dbraw/zinc/98/96/17/468989617.db2.gz SWXMNHLVUYSRAB-LBPRGKRZSA-N 0 0 340.309 2.253 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cncnc2)C1 ZINC000585275335 468998766 /nfs/dbraw/zinc/99/87/66/468998766.db2.gz APWLSDPOYKMGTE-SFHVURJKSA-N 0 0 345.374 2.316 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585275355 468999254 /nfs/dbraw/zinc/99/92/54/468999254.db2.gz AVPXEICWFCGPJV-LJQANCHMSA-N 0 0 343.427 2.196 40 0 EEABRN CNC(=O)CN1CCC[C@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585272863 468999356 /nfs/dbraw/zinc/99/93/56/468999356.db2.gz SBIGEGFDQZQEHJ-AWEZNQCLSA-N 0 0 344.440 2.278 40 0 EEABRN CCc1n[nH]cc1C(=O)N1CC[C@](COc2ccc(F)cc2)(OC)C1 ZINC000585276318 469001051 /nfs/dbraw/zinc/00/10/51/469001051.db2.gz IBXRXQMTBBLOSC-SFHVURJKSA-N 0 0 347.390 2.421 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1O ZINC000585278813 469004810 /nfs/dbraw/zinc/00/48/10/469004810.db2.gz GZSUMCGYXLXEKY-WBVHZDCISA-N 0 0 326.396 2.161 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccccc1 ZINC000193412671 534561688 /nfs/dbraw/zinc/56/16/88/534561688.db2.gz DKKGQXIXBZDMMJ-UHFFFAOYSA-N 0 0 331.759 2.033 40 0 EEABRN CCc1ccccc1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000077582475 521834160 /nfs/dbraw/zinc/83/41/60/521834160.db2.gz DPYSWXZIDSUXCV-CYBMUJFWSA-N 0 0 343.349 2.211 40 0 EEABRN O=C1[C@@H](Sc2nc[nH]n2)CCN1c1cccc(Br)c1 ZINC000191919042 534834569 /nfs/dbraw/zinc/83/45/69/534834569.db2.gz VVKFBTYQZIZNMW-JTQLQIEISA-N 0 0 339.218 2.465 40 0 EEABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1-c1ccccc1)[C@@]1(CO)C=C[C@@H]2O1 ZINC000169293327 534838218 /nfs/dbraw/zinc/83/82/18/534838218.db2.gz DLLDGCMBIXQKEZ-NTLWEQJWSA-N 0 0 347.370 2.159 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)NCCOc1ncccc1Cl ZINC000096473429 534847259 /nfs/dbraw/zinc/84/72/59/534847259.db2.gz VLCDJFSGIZTRNN-JTQLQIEISA-N 0 0 337.811 2.216 40 0 EEABRN O=C(c1ccco1)N1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096072402 526832694 /nfs/dbraw/zinc/83/26/94/526832694.db2.gz AYFUJWGZCJWFDP-CRAIPNDOSA-N 0 0 328.368 2.265 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941213 529366318 /nfs/dbraw/zinc/36/63/18/529366318.db2.gz QOWSKHBOJBRDGK-GHMZBOCLSA-N 0 0 332.853 2.409 40 0 EEABRN CCCCc1nc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c[nH]1 ZINC000257222426 535103195 /nfs/dbraw/zinc/10/31/95/535103195.db2.gz DTGFEZDAQDXMOP-INIZCTEOSA-N 0 0 345.447 2.082 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1 ZINC000225899770 536892465 /nfs/dbraw/zinc/89/24/65/536892465.db2.gz WBUNJLCUEPGROI-SNVBAGLBSA-N 0 0 343.884 2.299 40 0 EEABRN COc1ccccc1CNC(=O)NCC1CCC2(CC1)OCCO2 ZINC000241946749 537044541 /nfs/dbraw/zinc/04/45/41/537044541.db2.gz UNPHWCIWMINGLW-UHFFFAOYSA-N 0 0 334.416 2.428 40 0 EEABRN COc1ccccc1OCc1cn(CC(=O)N2CCC(C)CC2)nn1 ZINC000227160498 537098828 /nfs/dbraw/zinc/09/88/28/537098828.db2.gz JOEPVSMKNMQUIF-UHFFFAOYSA-N 0 0 344.415 2.124 40 0 EEABRN COc1cc(C(=O)NC[C@](C)(O)c2ccsc2)cc(OC)c1O ZINC000269941755 538133701 /nfs/dbraw/zinc/13/37/01/538133701.db2.gz NKFXYNFHPQHBRU-INIZCTEOSA-N 0 0 337.397 2.108 40 0 EEABRN O=c1[nH]c(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)nc2n[nH]cc21 ZINC000895674102 684677378 /nfs/dbraw/zinc/67/73/78/684677378.db2.gz MSYISOSYFLGGEX-SECBINFHSA-N 0 0 342.428 2.388 40 0 EEABRN CS(=O)(=O)c1ccc(-c2ccccc2C[C@@H]([NH3+])CC(=O)[O-])cc1 ZINC001772714822 1179347829 /nfs/dbraw/zinc/34/78/29/1179347829.db2.gz YNFVBQUDUXUBEW-CQSZACIVSA-N 0 0 333.409 2.102 40 0 EEABRN O=C(OCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)c1ccccc1 ZINC000096474900 1357958426 /nfs/dbraw/zinc/95/84/26/1357958426.db2.gz UPXVKWYASZHNSR-ZIAGYGMSSA-N 0 0 333.771 2.361 40 0 EEABRN O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@H]1C(=O)O[C@H]3C2)c1ccc(Cl)cc1 ZINC000408653178 1369816731 /nfs/dbraw/zinc/81/67/31/1369816731.db2.gz FEVYYBGTEMLXQW-HQCMNVCHSA-N 0 0 334.755 2.264 40 0 EEABRN Cn1nccc1S(=O)(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000907530385 784695639 /nfs/dbraw/zinc/69/56/39/784695639.db2.gz VDJOROYSLQCBSY-KRWDZBQOSA-N 0 0 345.424 2.049 40 0 EEABRN O=C(c1ccccc1F)N1CC2(C1)CC(=O)N(Cc1ccccc1)O2 ZINC001549166477 1121135592 /nfs/dbraw/zinc/13/55/92/1121135592.db2.gz FIFWGKAPMIYTEW-UHFFFAOYSA-N 0 0 340.354 2.384 40 0 EEABRN CN1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccccc2)CC1 ZINC000020121083 212104620 /nfs/dbraw/zinc/10/46/20/212104620.db2.gz FFNIMQCKAVUSKV-LJQANCHMSA-N 0 0 348.454 2.058 40 0 EEABRN O=C(N[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC000097953480 219064070 /nfs/dbraw/zinc/06/40/70/219064070.db2.gz CNFSYYQSFKZUMI-KSZLIROESA-N 0 0 341.411 2.084 40 0 EEABRN CC[C@@H](C)N1c2ccccc2[C@](O)([C@H]2COC(C)(C)CC2=O)C1=O ZINC000100743789 219104942 /nfs/dbraw/zinc/10/49/42/219104942.db2.gz JAIOBOFIGKVRCE-UHYGZKCKSA-N 0 0 331.412 2.404 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cccc(OC)c2)n1 ZINC000257328482 290838565 /nfs/dbraw/zinc/83/85/65/290838565.db2.gz XFUJUXWEWBZYFE-OAHLLOKOSA-N 0 0 342.399 2.049 40 0 EEABRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C[C@H](C)O1 ZINC000067316986 215132679 /nfs/dbraw/zinc/13/26/79/215132679.db2.gz ZYFSPXWPIJRJBR-AOOOYVTPSA-N 0 0 348.371 2.324 40 0 EEABRN Cn1cc(CNc2ccc3c(c2)C2(CCOCC2)C(=O)N3C)cn1 ZINC000096244761 282645821 /nfs/dbraw/zinc/64/58/21/282645821.db2.gz GEXVUSJBCSRMJM-UHFFFAOYSA-N 0 0 326.400 2.057 40 0 EEABRN Cn1nc(C(=O)NCc2cccc(F)c2)cc1NC(=O)c1ccco1 ZINC000040745822 213381468 /nfs/dbraw/zinc/38/14/68/213381468.db2.gz SJABQGZHVBNFMK-UHFFFAOYSA-N 0 0 342.330 2.335 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000040515616 213331849 /nfs/dbraw/zinc/33/18/49/213331849.db2.gz ZGTJHCJLXJXENE-CYBMUJFWSA-N 0 0 345.399 2.282 40 0 EEABRN Cn1ccnc1[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)C1CC1 ZINC000685939071 539988853 /nfs/dbraw/zinc/98/88/53/539988853.db2.gz KXHKRWPTQMXVMO-DLBZAZTESA-N 0 0 340.427 2.312 40 0 EEABRN Cc1cc(NC(=O)CN(C)C(=O)CCOc2ccc(C)cc2C)no1 ZINC000040069128 213256528 /nfs/dbraw/zinc/25/65/28/213256528.db2.gz GQAYTPLDQDYCSA-UHFFFAOYSA-N 0 0 345.399 2.466 40 0 EEABRN Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)s1 ZINC000038492551 213211384 /nfs/dbraw/zinc/21/13/84/213211384.db2.gz GAWOIXSVABNDRR-UHFFFAOYSA-N 0 0 345.424 2.244 40 0 EEABRN Cn1cc(CN2CCN(Cc3cccnc3)CC2)c(C(C)(C)C)n1 ZINC000183669603 235191722 /nfs/dbraw/zinc/19/17/22/235191722.db2.gz GJPCVXVUWWYXQR-UHFFFAOYSA-N 0 0 327.476 2.430 40 0 EEABRN Cc1nn(C)cc1CN(C)C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000036611003 213100448 /nfs/dbraw/zinc/10/04/48/213100448.db2.gz FJLUSEMLWWZPEC-UHFFFAOYSA-N 0 0 347.806 2.492 40 0 EEABRN CN(C)c1ccc(-c2nnn(CC(=O)OC3CCCCC3)n2)cc1 ZINC000000416978 209580737 /nfs/dbraw/zinc/58/07/37/209580737.db2.gz LPGGKHFYENMWJX-UHFFFAOYSA-N 0 0 329.404 2.282 40 0 EEABRN CCc1noc(CN(C)C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000096446780 237055593 /nfs/dbraw/zinc/05/55/93/237055593.db2.gz BHDKEUCGMZOBNE-HNNXBMFYSA-N 0 0 346.406 2.394 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)c1cccs1 ZINC000096473446 237061810 /nfs/dbraw/zinc/06/18/10/237061810.db2.gz AKEQIOTYWJYWHN-NWDGAFQWSA-N 0 0 349.460 2.424 40 0 EEABRN COc1cccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccco2)c1 ZINC000072239584 216078790 /nfs/dbraw/zinc/07/87/90/216078790.db2.gz UBVSNEQKGPVSEE-MRXNPFEDSA-N 0 0 328.368 2.096 40 0 EEABRN CC(=O)N1CCC[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)C1 ZINC000072247222 216082467 /nfs/dbraw/zinc/08/24/67/216082467.db2.gz QSJYSIWUZRYIJE-KRWDZBQOSA-N 0 0 340.427 2.323 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)[C@H]1C ZINC000190035528 238183551 /nfs/dbraw/zinc/18/35/51/238183551.db2.gz UWMRCBZLDMXZDA-DTWKUNHWSA-N 0 0 348.296 2.419 40 0 EEABRN C[C@@H]1COc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000072531797 216269252 /nfs/dbraw/zinc/26/92/52/216269252.db2.gz LAILFXQTAMQHHU-CYBMUJFWSA-N 0 0 335.363 2.211 40 0 EEABRN CC(C)c1nncn1CCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000073146832 216356363 /nfs/dbraw/zinc/35/63/63/216356363.db2.gz LKZPXEABIGSSDL-CQSZACIVSA-N 0 0 328.416 2.474 40 0 EEABRN CN(C)c1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c42)CCCC3=O)cc1 ZINC000020673613 541321076 /nfs/dbraw/zinc/32/10/76/541321076.db2.gz SMTFPZLANPRBIL-UHFFFAOYSA-N 0 0 349.394 2.152 40 0 EEABRN O=C(NCc1ccc(F)cc1)NC[C@]1(O)CCOc2ccccc21 ZINC000075158189 216589695 /nfs/dbraw/zinc/58/96/95/216589695.db2.gz PWMWTADLDAIPQE-GOSISDBHSA-N 0 0 330.359 2.295 40 0 EEABRN CC(C)(CO)NC(=O)Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000075170397 216594702 /nfs/dbraw/zinc/59/47/02/216594702.db2.gz UVBHCADXEXWJNL-HNNXBMFYSA-N 0 0 330.428 2.411 40 0 EEABRN CCn1cc(C(=O)NCCOC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236662 212283750 /nfs/dbraw/zinc/28/37/50/212283750.db2.gz UBCKIHBCWHFXFO-UHFFFAOYSA-N 0 0 342.317 2.416 40 0 EEABRN CCc1ccccc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O ZINC000022241464 212285265 /nfs/dbraw/zinc/28/52/65/212285265.db2.gz RQJXGTSSYZVUCD-WBVHZDCISA-N 0 0 330.428 2.118 40 0 EEABRN NC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235360 212284187 /nfs/dbraw/zinc/28/41/87/212284187.db2.gz LKHOLOBEZGSIKR-UHFFFAOYSA-N 0 0 347.374 2.299 40 0 EEABRN CCC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 ZINC000195579689 241027286 /nfs/dbraw/zinc/02/72/86/241027286.db2.gz FHAAJWGMTGDJFE-OAHLLOKOSA-N 0 0 335.835 2.419 40 0 EEABRN COc1ccc(S[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000216294910 241180903 /nfs/dbraw/zinc/18/09/03/241180903.db2.gz ATCRWVGFUNUOST-NEPJUHHUSA-N 0 0 325.430 2.480 40 0 EEABRN CN(C)c1ccc(O[C@H]2CCN(C(=O)Nc3cccs3)C2)nn1 ZINC000225449306 241869723 /nfs/dbraw/zinc/86/97/23/241869723.db2.gz DUYNBXGYSBBIBR-NSHDSACASA-N 0 0 333.417 2.289 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)NC[C@](C)(O)c1cnn(C)c1 ZINC000225403206 241845377 /nfs/dbraw/zinc/84/53/77/241845377.db2.gz KAXHHVUWKWJCKR-INIZCTEOSA-N 0 0 336.823 2.143 40 0 EEABRN CCC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947474 242078719 /nfs/dbraw/zinc/07/87/19/242078719.db2.gz WAXNSNMVENAWNK-BXUZGUMPSA-N 0 0 330.425 2.111 40 0 EEABRN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2ccc(F)cn2)C1 ZINC000252510717 243843841 /nfs/dbraw/zinc/84/38/41/243843841.db2.gz ZOYQSCICDPZEAN-CQSZACIVSA-N 0 0 327.425 2.052 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000253615429 244040090 /nfs/dbraw/zinc/04/00/90/244040090.db2.gz HWOKTIMHNOZHFN-MRXNPFEDSA-N 0 0 337.485 2.482 40 0 EEABRN CN(C(=O)Cc1cccs1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257203919 244127962 /nfs/dbraw/zinc/12/79/62/244127962.db2.gz ASFAKMKOPAHBET-BFYDXBDKSA-N 0 0 332.425 2.115 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257216846 244171332 /nfs/dbraw/zinc/17/13/32/244171332.db2.gz CWIRJVPWYYIWLY-UHFFFAOYSA-N 0 0 341.415 2.117 40 0 EEABRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(=O)[nH]n1 ZINC000096431539 284127186 /nfs/dbraw/zinc/12/71/86/284127186.db2.gz LEVXOWNNZUAJGW-SECBINFHSA-N 0 0 326.139 2.353 40 0 EEABRN COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)c1cccnn1 ZINC000257231800 244216628 /nfs/dbraw/zinc/21/66/28/244216628.db2.gz GIGPKQBYNPYGJZ-MRXNPFEDSA-N 0 0 349.394 2.387 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCN2C)cc1 ZINC000257226735 244202680 /nfs/dbraw/zinc/20/26/80/244202680.db2.gz FLXLZITVBYCUNX-SFHVURJKSA-N 0 0 343.427 2.358 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1cc(-c2cc(C)[nH]n2)nc(C)n1 ZINC000257244220 244253257 /nfs/dbraw/zinc/25/32/57/244253257.db2.gz IKKLHHQDXANOFN-MRXNPFEDSA-N 0 0 329.404 2.184 40 0 EEABRN CC(C)n1cc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 ZINC000257244524 244254092 /nfs/dbraw/zinc/25/40/92/244254092.db2.gz ILSZYXQQMBVNOI-ZDUSSCGKSA-N 0 0 349.460 2.060 40 0 EEABRN COCc1c(C)onc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257235959 244230659 /nfs/dbraw/zinc/23/06/59/244230659.db2.gz HAGFIMFIWVGDQL-AWEZNQCLSA-N 0 0 346.387 2.091 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)n1 ZINC000257236176 244230678 /nfs/dbraw/zinc/23/06/78/244230678.db2.gz HBBXNZAAKPITRX-CYBMUJFWSA-N 0 0 331.420 2.184 40 0 EEABRN CCCn1ccc(C(=O)N2CCNC[C@H]2c2ccccc2OC)n1 ZINC000257283713 284131644 /nfs/dbraw/zinc/13/16/44/284131644.db2.gz OZMVZQFQZAFLDA-INIZCTEOSA-N 0 0 328.416 2.088 40 0 EEABRN CNc1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000257241677 244244809 /nfs/dbraw/zinc/24/48/09/244244809.db2.gz HZBJDULZNLSVKM-GFCCVEGCSA-N 0 0 327.413 2.462 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cc(C)cs2)n1 ZINC000257257992 244288666 /nfs/dbraw/zinc/28/86/66/244288666.db2.gz KRYAZSOPCUVOMU-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257270325 244374557 /nfs/dbraw/zinc/37/45/57/244374557.db2.gz MTTGGTDEEVJNCZ-IBGZPJMESA-N 0 0 338.411 2.005 40 0 EEABRN CCC(=O)N1CCC[C@@H]1c1ccc2c(N)c(C(=O)NC)sc2n1 ZINC000257271177 244377715 /nfs/dbraw/zinc/37/77/15/244377715.db2.gz MXDPSGVVRODSLF-LLVKDONJSA-N 0 0 332.429 2.312 40 0 EEABRN NC(=O)c1cc(C[C@@H]2CCCN(C(=O)CC3CCCC3)CC2)ncn1 ZINC000257261040 244347531 /nfs/dbraw/zinc/34/75/31/244347531.db2.gz LFMGFAFSIRCPRK-OAHLLOKOSA-N 0 0 344.459 2.327 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)n1 ZINC000257261605 244350350 /nfs/dbraw/zinc/35/03/50/244350350.db2.gz LIBABGLEBBBEAW-QGZVFWFLSA-N 0 0 342.443 2.431 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)ccn1 ZINC000257263604 244355335 /nfs/dbraw/zinc/35/53/35/244355335.db2.gz LQSCEODUDNSQDP-CQSZACIVSA-N 0 0 336.399 2.414 40 0 EEABRN O=C(c1nccc2ccccc21)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257282913 244413195 /nfs/dbraw/zinc/41/31/95/244413195.db2.gz OVWCZXAQYHCNIX-QGZVFWFLSA-N 0 0 348.406 2.499 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868857 212077066 /nfs/dbraw/zinc/07/70/66/212077066.db2.gz HRLCNZFJVOYUFX-STQMWFEESA-N 0 0 344.502 2.454 40 0 EEABRN Cc1noc(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257326664 244534413 /nfs/dbraw/zinc/53/44/13/244534413.db2.gz WYDBDGFQLBYVMN-ZHALLVOQSA-N 0 0 344.411 2.263 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ccn1 ZINC000257327157 244538321 /nfs/dbraw/zinc/53/83/21/244538321.db2.gz XAFLMZICPVAAER-QGZVFWFLSA-N 0 0 326.352 2.332 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CO[C@H](Cc3ccccn3)C2)CC1 ZINC000257343431 244577959 /nfs/dbraw/zinc/57/79/59/244577959.db2.gz ZTAJAJYEYHFXTC-GOSISDBHSA-N 0 0 344.455 2.448 40 0 EEABRN O=C(COc1ccccc1F)N1CC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000019747820 212061234 /nfs/dbraw/zinc/06/12/34/212061234.db2.gz DDCJGHSYQAZZSQ-CYBMUJFWSA-N 0 0 343.358 2.087 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703610 212055806 /nfs/dbraw/zinc/05/58/06/212055806.db2.gz RBVFGPGAADNBRF-MRXNPFEDSA-N 0 0 347.390 2.480 40 0 EEABRN Cc1cc(C)n(C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)n1 ZINC000019656710 212053449 /nfs/dbraw/zinc/05/34/49/212053449.db2.gz VOEFZIWSUMIQQI-UHFFFAOYSA-N 0 0 340.493 2.114 40 0 EEABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCc2cccnc2)n1 ZINC000019457532 212029703 /nfs/dbraw/zinc/02/97/03/212029703.db2.gz VPNSNKGBJJFWIB-NSHDSACASA-N 0 0 344.806 2.431 40 0 EEABRN O=C(C1CCCCC1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 ZINC000019341571 212018771 /nfs/dbraw/zinc/01/87/71/212018771.db2.gz JGMGXIWWZXCVBV-INIZCTEOSA-N 0 0 340.431 2.306 40 0 EEABRN O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1c2c(sc1-n1cnnn1)CCC2 ZINC000049551883 214019178 /nfs/dbraw/zinc/01/91/78/214019178.db2.gz JTAVROOVMXUZJO-GRYCIOLGSA-N 0 0 341.440 2.155 40 0 EEABRN O=C(Nc1ccc(Cl)cc1F)c1cc(N2CCOCC2)ncn1 ZINC000244970290 284301235 /nfs/dbraw/zinc/30/12/35/284301235.db2.gz HRMUAUVRZNRBQD-UHFFFAOYSA-N 0 0 336.754 2.358 40 0 EEABRN O=C1CNC(=O)N1CCSCc1cc(F)ccc1Br ZINC000078552269 217073966 /nfs/dbraw/zinc/07/39/66/217073966.db2.gz SWDDJAYBKWWIAQ-UHFFFAOYSA-N 0 0 347.209 2.373 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@H]2CCCCN2Cc2ccncc2)c1 ZINC000078611427 217086590 /nfs/dbraw/zinc/08/65/90/217086590.db2.gz VVFIAFSTBGNXRM-GOSISDBHSA-N 0 0 341.459 2.148 40 0 EEABRN Cc1ccc(-n2ncc(N3CC(O)C3)c(Cl)c2=O)cc1Cl ZINC000078774351 217118531 /nfs/dbraw/zinc/11/85/31/217118531.db2.gz YTLPJFFKXBBIHS-UHFFFAOYSA-N 0 0 326.183 2.029 40 0 EEABRN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000078916759 217147386 /nfs/dbraw/zinc/14/73/86/217147386.db2.gz NXCORPJKEPMQED-OAHLLOKOSA-N 0 0 340.379 2.382 40 0 EEABRN CCC(CC)[C@@H](O)CNC(=O)NCc1cc(F)cc2c1OCOC2 ZINC000078925520 217149503 /nfs/dbraw/zinc/14/95/03/217149503.db2.gz DFAFINOGANYEQL-HNNXBMFYSA-N 0 0 340.395 2.289 40 0 EEABRN CC(C)c1ccccc1OCCNC(=O)N1CCC(CC(N)=O)CC1 ZINC000078926317 217150551 /nfs/dbraw/zinc/15/05/51/217150551.db2.gz WLQFZPODUCJCRH-UHFFFAOYSA-N 0 0 347.459 2.486 40 0 EEABRN CC1CCN(C(=O)c2ccc(N(C)Cc3cnn(C)c3)nc2)CC1 ZINC000079029376 217178159 /nfs/dbraw/zinc/17/81/59/217178159.db2.gz VBINHRFOKRVLAT-UHFFFAOYSA-N 0 0 327.432 2.324 40 0 EEABRN COCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000079043756 217180785 /nfs/dbraw/zinc/18/07/85/217180785.db2.gz JWRCLKVMDBPPPZ-ZDUSSCGKSA-N 0 0 348.424 2.139 40 0 EEABRN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cn1 ZINC000079002189 217172683 /nfs/dbraw/zinc/17/26/83/217172683.db2.gz SGDRXYHJMKYOOD-CQSZACIVSA-N 0 0 344.390 2.313 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000079098286 217192592 /nfs/dbraw/zinc/19/25/92/217192592.db2.gz MRNJZGUTPOWWSF-RYUDHWBXSA-N 0 0 330.425 2.351 40 0 EEABRN CC(C)c1cc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)on1 ZINC000079349383 217212735 /nfs/dbraw/zinc/21/27/35/217212735.db2.gz ZOBNSGKHMUHPBN-CYBMUJFWSA-N 0 0 342.399 2.403 40 0 EEABRN CC(C)C[C@H](NC(=O)c1cc(F)ccc1F)C(=O)Nc1cc[nH]n1 ZINC000080322726 217298089 /nfs/dbraw/zinc/29/80/89/217298089.db2.gz SQTJKRBTWOKKOA-ZDUSSCGKSA-N 0 0 336.342 2.471 40 0 EEABRN C[S@@](=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1 ZINC000080534147 217313210 /nfs/dbraw/zinc/31/32/10/217313210.db2.gz IQNJSSAJFVMBEZ-QHCPKHFHSA-N 0 0 326.381 2.257 40 0 EEABRN O=S(=O)(N[C@H]1CCCC[C@@H]1n1cccn1)c1c[nH]c2ncccc12 ZINC000081187136 217369613 /nfs/dbraw/zinc/36/96/13/217369613.db2.gz HCUSBQXRFRZYKQ-KBPBESRZSA-N 0 0 345.428 2.222 40 0 EEABRN Cn1c(CO)cnc1S[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089690635 217828680 /nfs/dbraw/zinc/82/86/80/217828680.db2.gz ONKXESXFNXIVSZ-HNNXBMFYSA-N 0 0 331.441 2.196 40 0 EEABRN COc1ccccc1C(=O)N1CCC(C(=O)c2ccnn2C)CC1 ZINC000012337203 211350977 /nfs/dbraw/zinc/35/09/77/211350977.db2.gz POSINVYKEAXHTQ-UHFFFAOYSA-N 0 0 327.384 2.164 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)NC(=O)COc1ncnc2ccccc21 ZINC000012198251 211318739 /nfs/dbraw/zinc/31/87/39/211318739.db2.gz SBHFYJFTZXRGBV-JTQLQIEISA-N 0 0 325.372 2.226 40 0 EEABRN O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccnc1 ZINC000012114707 211294310 /nfs/dbraw/zinc/29/43/10/211294310.db2.gz LFRWGTMXPFXTED-UHFFFAOYSA-N 0 0 327.775 2.493 40 0 EEABRN Cc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2C[C@H]1CCCO1 ZINC000009936541 211135186 /nfs/dbraw/zinc/13/51/86/211135186.db2.gz BODKXUQJEPFALK-CYBMUJFWSA-N 0 0 337.379 2.239 40 0 EEABRN c1nncn1N1Cn2c3ccccc3nc2N(Cc2ccccc2)C1 ZINC000008993555 211029350 /nfs/dbraw/zinc/02/93/50/211029350.db2.gz QZCZYJHLBPPZCB-UHFFFAOYSA-N 0 0 331.383 2.201 40 0 EEABRN O=C([C@H](O)c1ccccc1)N1CCN(c2ccncc2Cl)CC1 ZINC000095438381 218381682 /nfs/dbraw/zinc/38/16/82/218381682.db2.gz YJVXAJHLFZRKGZ-MRXNPFEDSA-N 0 0 331.803 2.117 40 0 EEABRN CCOc1ccc([C@H](N)c2nc(-c3cnccn3)n[nH]2)cc1OCC ZINC000095534538 218434862 /nfs/dbraw/zinc/43/48/62/218434862.db2.gz NJWMFSAEKKPNJL-HNNXBMFYSA-N 0 0 340.387 2.107 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@H]3OCC[C@@]3(COCC3CC3)C2)c1 ZINC000096110354 218605482 /nfs/dbraw/zinc/60/54/82/218605482.db2.gz MDOYANSSPFZLRX-MJGOQNOKSA-N 0 0 330.428 2.438 40 0 EEABRN COCc1cncc2c1CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096189286 218659021 /nfs/dbraw/zinc/65/90/21/218659021.db2.gz VHCQCJGNKUFAFB-UHFFFAOYSA-N 0 0 332.425 2.283 40 0 EEABRN COc1ccc(C(=O)N2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187068 218654538 /nfs/dbraw/zinc/65/45/38/218654538.db2.gz DVCNDWWVGSYJNY-SQNIBIBYSA-N 0 0 331.412 2.494 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CC[C@H]2OC)cc1 ZINC000096206362 218680301 /nfs/dbraw/zinc/68/03/01/218680301.db2.gz BOYKAFHPKPMDED-MAUKXSAKSA-N 0 0 343.427 2.149 40 0 EEABRN O=C(Nc1ccccc1C(F)(F)F)OCCN1CCNC1=S ZINC000006513843 210644717 /nfs/dbraw/zinc/64/47/17/210644717.db2.gz MSJMBWJMHJOIJM-UHFFFAOYSA-N 0 0 333.335 2.444 40 0 EEABRN CCOc1ccsc1C(=O)N1C[C@H]2OC[C@H](c3nnc(C)o3)[C@H]2C1 ZINC000096216795 218691251 /nfs/dbraw/zinc/69/12/51/218691251.db2.gz OQZKMCDYILNLGG-NTZNESFSSA-N 0 0 349.412 2.093 40 0 EEABRN CN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096229708 218706256 /nfs/dbraw/zinc/70/62/56/218706256.db2.gz ADLAZHLSXKYFAT-SFHVURJKSA-N 0 0 330.384 2.032 40 0 EEABRN COCCN1CCCc2sc(C(=O)Nc3ccc(C)cn3)nc21 ZINC000096264605 218732587 /nfs/dbraw/zinc/73/25/87/218732587.db2.gz UGMQUCSIJIAVBE-UHFFFAOYSA-N 0 0 332.429 2.498 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)Cc2ccccc2Cl)C1 ZINC000096379934 218746110 /nfs/dbraw/zinc/74/61/10/218746110.db2.gz ZDVHAUQMURDUSY-UHFFFAOYSA-N 0 0 329.849 2.164 40 0 EEABRN COCCn1ccc(NC(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000096403550 218751648 /nfs/dbraw/zinc/75/16/48/218751648.db2.gz PTGUWNIANOOZDG-UHFFFAOYSA-N 0 0 343.431 2.413 40 0 EEABRN C[C@@H](CNC(=O)Cc1ccc(-n2cccn2)cc1)CC1(C)OCCO1 ZINC000096418609 218782173 /nfs/dbraw/zinc/78/21/73/218782173.db2.gz RLTKTUQJJQJGIW-OAHLLOKOSA-N 0 0 343.427 2.320 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096420762 218785908 /nfs/dbraw/zinc/78/59/08/218785908.db2.gz AVVSNAYJBVXNLV-QJPTWQEYSA-N 0 0 342.317 2.165 40 0 EEABRN NC(=O)CSCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096420956 218786017 /nfs/dbraw/zinc/78/60/17/218786017.db2.gz PFJUXSWMIPMJTK-NSHDSACASA-N 0 0 340.754 2.278 40 0 EEABRN Cc1nc(C2(NC(=O)Nc3nnc4ccccn43)CCCC2)no1 ZINC000096427040 218798361 /nfs/dbraw/zinc/79/83/61/218798361.db2.gz DOLOSKVKZQRATM-UHFFFAOYSA-N 0 0 327.348 2.012 40 0 EEABRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)C1CCS(=O)(=O)CC1 ZINC000096451368 218835374 /nfs/dbraw/zinc/83/53/74/218835374.db2.gz ZNJAMESWLLTHTG-BQYQJAHWSA-N 0 0 346.452 2.227 40 0 EEABRN C[C@@H](C1CC1)N(C(=O)CN1C(=O)c2ccc(F)cc2C1=O)C1CC1 ZINC000096452648 218835562 /nfs/dbraw/zinc/83/55/62/218835562.db2.gz SWPRFTSPWGJQPZ-JTQLQIEISA-N 0 0 330.359 2.211 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000096455122 218838934 /nfs/dbraw/zinc/83/89/34/218838934.db2.gz HHNABHVCVXDCNN-ISTRZQFTSA-N 0 0 336.480 2.328 40 0 EEABRN Cc1ccsc1CNC(=O)CS(=O)(=O)Cc1cnc(C)s1 ZINC000096475929 218852132 /nfs/dbraw/zinc/85/21/32/218852132.db2.gz INSHKIZLVMIFJP-UHFFFAOYSA-N 0 0 344.483 2.053 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)Nc2csc(N3CCCCC3)n2)c1C ZINC000096496585 218873598 /nfs/dbraw/zinc/87/35/98/218873598.db2.gz WDEZAGWZABJELS-UHFFFAOYSA-N 0 0 347.444 2.096 40 0 EEABRN CCOC(=O)CCN(Cc1ccccc1)[C@@H](COC)C(=O)OCC ZINC000005028381 210366470 /nfs/dbraw/zinc/36/64/70/210366470.db2.gz KWYHYTRGVRWJPI-INIZCTEOSA-N 0 0 337.416 2.020 40 0 EEABRN CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000004944499 210336193 /nfs/dbraw/zinc/33/61/93/210336193.db2.gz BEWWSXMDYYHMQY-NSHDSACASA-N 0 0 331.397 2.072 40 0 EEABRN CCCCn1nnnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000004882966 210312095 /nfs/dbraw/zinc/31/20/95/210312095.db2.gz YVDWDZLDDCXJDV-UHFFFAOYSA-N 0 0 333.417 2.407 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3ccccc3Cl)c(=O)c2cc1OC ZINC000408712750 533177954 /nfs/dbraw/zinc/17/79/54/533177954.db2.gz NGJHPQISOJTTCC-UHFFFAOYSA-N 0 0 346.774 2.342 40 0 EEABRN CC1(C)CCC[C@@H]1NC(=O)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000095408899 257834777 /nfs/dbraw/zinc/83/47/77/257834777.db2.gz OQBWNXQTOWXPPC-IRXDYDNUSA-N 0 0 346.475 2.333 40 0 EEABRN C[C@@H]1CC=CC[C@H]1COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000219665527 258001474 /nfs/dbraw/zinc/00/14/74/258001474.db2.gz WPDNCNFXMSWMPC-JKIFEVAISA-N 0 0 341.411 2.252 40 0 EEABRN COc1ncc(NC(=O)[C@H]2CCCc3ccccc32)cc1C(N)=O ZINC000268516669 286564869 /nfs/dbraw/zinc/56/48/69/286564869.db2.gz LOQMGYZTIJCXJK-AWEZNQCLSA-N 0 0 325.368 2.248 40 0 EEABRN CO[C@@]1(C)C[C@@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C ZINC000074941330 159071942 /nfs/dbraw/zinc/07/19/42/159071942.db2.gz ZDBGXQULBOENSC-DYVFJYSZSA-N 0 0 336.436 2.471 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1ccc(F)cc1)S(C)(=O)=O ZINC000096521530 287381020 /nfs/dbraw/zinc/38/10/20/287381020.db2.gz VUAVNUCHXGQAMH-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN CN1C[C@@H](NC(=O)NCC2(c3ccc(Cl)cc3)CC2)CCC1=O ZINC000096415410 262497706 /nfs/dbraw/zinc/49/77/06/262497706.db2.gz ACLXISXQHYJTRP-AWEZNQCLSA-N 0 0 335.835 2.292 40 0 EEABRN C[C@@H]1CCCN(c2cc(C(=O)Nc3nnc4n3CCCC4)ccn2)C1 ZINC000291961906 275358331 /nfs/dbraw/zinc/35/83/31/275358331.db2.gz RLFYQPVVNLZHSN-CYBMUJFWSA-N 0 0 340.431 2.498 40 0 EEABRN CCc1nnc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000192156892 276701529 /nfs/dbraw/zinc/70/15/29/276701529.db2.gz XRZNUUCRABDSJF-BLLLJJGKSA-N 0 0 334.807 2.347 40 0 EEABRN COc1cc([C@H]2Cc3nc(N)nc(C)c3C(=O)C2)cc(OC)c1OC ZINC000015424354 277839168 /nfs/dbraw/zinc/83/91/68/277839168.db2.gz QHYZFKMWVNFYBP-JTQLQIEISA-N 0 0 343.383 2.306 40 0 EEABRN C[C@H](CN1CCOCC1)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000077497509 278194190 /nfs/dbraw/zinc/19/41/90/278194190.db2.gz WKNIXKOLYSFDPO-GFCCVEGCSA-N 0 0 340.855 2.248 40 0 EEABRN O=C(c1ccoc1)N1CCc2c(CNc3nncs3)cncc2C1 ZINC000096067461 280222499 /nfs/dbraw/zinc/22/24/99/280222499.db2.gz FHSXRPMBFGULMR-UHFFFAOYSA-N 0 0 341.396 2.337 40 0 EEABRN Cc1cc(N2C[C@@H](C)O[C@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000019117256 280583380 /nfs/dbraw/zinc/58/33/80/280583380.db2.gz LJBKZGWKXWLGOQ-CHWSQXEVSA-N 0 0 326.404 2.052 40 0 EEABRN Cc1cccc(Nc2cccc(C3CCN(CC(N)=O)CC3)n2)n1 ZINC000257276784 281248892 /nfs/dbraw/zinc/24/88/92/281248892.db2.gz NVBZZPDIHVQMRY-UHFFFAOYSA-N 0 0 325.416 2.193 40 0 EEABRN CCO[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000283137429 292905415 /nfs/dbraw/zinc/90/54/15/292905415.db2.gz ZZXUKIDZPGYVNF-QJPTWQEYSA-N 0 0 349.412 2.123 40 0 EEABRN NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc3ccccn3c2)n[nH]1 ZINC000225556397 295173526 /nfs/dbraw/zinc/17/35/26/295173526.db2.gz QYIQBYFPYCCXMZ-INIZCTEOSA-N 0 0 337.383 2.129 40 0 EEABRN CCN(Cc1cn(C)nn1)C(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000331377781 311844224 /nfs/dbraw/zinc/84/42/24/311844224.db2.gz FIKDOOZRRFQLAT-AWEZNQCLSA-N 0 0 342.447 2.109 40 0 EEABRN O=C(NCc1ccc(F)cn1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000332056016 311942426 /nfs/dbraw/zinc/94/24/26/311942426.db2.gz YXQTUWGGXKFGSP-UHFFFAOYSA-N 0 0 348.422 2.155 40 0 EEABRN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000333023526 312080088 /nfs/dbraw/zinc/08/00/88/312080088.db2.gz FVWOLHVCKXVLTE-XHSDSOJGSA-N 0 0 345.443 2.146 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)c2ccn(C)n2)c2cc(Cl)ccc2O1 ZINC000333479409 312153700 /nfs/dbraw/zinc/15/37/00/312153700.db2.gz SJEDJKWNJAAITC-SECBINFHSA-N 0 0 327.793 2.050 40 0 EEABRN COc1cccc(Cl)c1CC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000097379138 323322997 /nfs/dbraw/zinc/32/29/97/323322997.db2.gz GMYBZVZMHMTMOW-UHFFFAOYSA-N 0 0 348.834 2.406 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000155970659 323333116 /nfs/dbraw/zinc/33/31/16/323333116.db2.gz YEAVBFQBUGBPBI-SGTLLEGYSA-N 0 0 336.432 2.011 40 0 EEABRN O=C(Nc1ccc(N2CCCCC2)c2ncccc12)[C@H]1CCC(=O)N1 ZINC000390834049 323545725 /nfs/dbraw/zinc/54/57/25/323545725.db2.gz QXRXTCSBBBYPNI-OAHLLOKOSA-N 0 0 338.411 2.442 40 0 EEABRN CC[C@](Br)([C@@H](O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096521666 463293518 /nfs/dbraw/zinc/29/35/18/463293518.db2.gz ISWCIHQDNREOHT-NWDGAFQWSA-N 0 0 336.251 2.238 40 0 EEABRN CN(C)C(=O)CCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000252488672 464964894 /nfs/dbraw/zinc/96/48/94/464964894.db2.gz IWOSOAITXSAIBI-UHFFFAOYSA-N 0 0 327.310 2.227 40 0 EEABRN CCn1cc(CN2CCCN(C(=O)[C@H](C)c3ccccn3)CC2)cn1 ZINC000328771466 465124013 /nfs/dbraw/zinc/12/40/13/465124013.db2.gz JHLIGFXRIHYTIR-MRXNPFEDSA-N 0 0 341.459 2.136 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1C ZINC000000260695 462551525 /nfs/dbraw/zinc/55/15/25/462551525.db2.gz ZRTTTZSYDGNYMN-CVEARBPZSA-N 0 0 334.416 2.470 40 0 EEABRN NC(=O)CSCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000074169226 462564537 /nfs/dbraw/zinc/56/45/37/462564537.db2.gz YHOXHQWZSAPJCJ-UHFFFAOYSA-N 0 0 349.481 2.221 40 0 EEABRN CC[C@@H](CO)NC(=O)Cc1ccc(NCc2csc(C)n2)cc1 ZINC000086209877 462567926 /nfs/dbraw/zinc/56/79/26/462567926.db2.gz KFVHQURKRCNBCK-AWEZNQCLSA-N 0 0 333.457 2.493 40 0 EEABRN O=C(Nc1ccc(NC(=O)c2cnccn2)cn1)c1cccs1 ZINC000001353425 462580340 /nfs/dbraw/zinc/58/03/40/462580340.db2.gz KIVKVZGVTMIBTF-UHFFFAOYSA-N 0 0 325.353 2.438 40 0 EEABRN CCc1ccc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)o1 ZINC000087424637 462606897 /nfs/dbraw/zinc/60/68/97/462606897.db2.gz BLCJBSIYHMIZKU-UHFFFAOYSA-N 0 0 326.356 2.361 40 0 EEABRN CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000113878132 462614050 /nfs/dbraw/zinc/61/40/50/462614050.db2.gz UWSVDJKFXMLKRK-UHFFFAOYSA-N 0 0 349.408 2.454 40 0 EEABRN O=C(c1ccco1)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(O)=C12 ZINC000003849008 462624737 /nfs/dbraw/zinc/62/47/37/462624737.db2.gz ZSSRQXHPMMZSJB-SMDDNHRTSA-N 0 0 344.710 2.060 40 0 EEABRN CCn1cc(-n2cc3[nH]c(N4CCC(C)CC4)ncc-3c2=O)cn1 ZINC000046088005 462646081 /nfs/dbraw/zinc/64/60/81/462646081.db2.gz GOJKVTXESRZRCG-UHFFFAOYSA-N 0 0 326.404 2.090 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1C ZINC000074935891 462657355 /nfs/dbraw/zinc/65/73/55/462657355.db2.gz MUFAFHYBXPJHDY-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 ZINC000005427537 462659553 /nfs/dbraw/zinc/65/95/53/462659553.db2.gz KJOFCVTZYTVPDW-LBPRGKRZSA-N 0 0 344.864 2.265 40 0 EEABRN CC(=O)OC[C@H]1O[C@@H](CC(=O)c2ccccc2)C=C[C@H]1OC(C)=O ZINC000005518320 462662035 /nfs/dbraw/zinc/66/20/35/462662035.db2.gz FAAMMBOGNPMVTL-KBAYOESNSA-N 0 0 332.352 2.078 40 0 EEABRN CSc1nc(=O)c2[n+]([n-]1)[C@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000005586996 462663691 /nfs/dbraw/zinc/66/36/91/462663691.db2.gz KSVIGIKCDQIGKY-OAHLLOKOSA-O 0 0 339.400 2.124 40 0 EEABRN NC(=O)CCN(Cc1ccccc1)C(=S)NCc1ccccc1 ZINC000005947013 462672953 /nfs/dbraw/zinc/67/29/53/462672953.db2.gz IKVHZGAURBYRPV-UHFFFAOYSA-N 0 0 327.453 2.439 40 0 EEABRN COc1ccccc1OCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000006261008 462680955 /nfs/dbraw/zinc/68/09/55/462680955.db2.gz GBQBSEXPQHGNGF-ZDUSSCGKSA-N 0 0 329.352 2.030 40 0 EEABRN COc1ccc2[nH]c3nc(SCC(=O)NC(C)C)nnc3c2c1 ZINC000006358298 462683900 /nfs/dbraw/zinc/68/39/00/462683900.db2.gz DRODETJDMHROBX-UHFFFAOYSA-N 0 0 331.401 2.131 40 0 EEABRN CC[C@H](C(=O)Nc1cc(N2CCOCC2)ncn1)c1ccccc1 ZINC000075166237 462691069 /nfs/dbraw/zinc/69/10/69/462691069.db2.gz ATFBRRZXMSFXHL-HNNXBMFYSA-N 0 0 326.400 2.446 40 0 EEABRN Cn1c2[nH]c(C(c3ccccc3)c3ccccc3)nc2c(=O)n(C)c1=O ZINC000008581206 462789880 /nfs/dbraw/zinc/78/98/80/462789880.db2.gz MPFPMPNQMRVICV-UHFFFAOYSA-N 0 0 346.390 2.141 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000090473806 462793923 /nfs/dbraw/zinc/79/39/23/462793923.db2.gz UZWBLZHLSZZZAF-UHFFFAOYSA-N 0 0 349.456 2.301 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 ZINC000010129968 462813186 /nfs/dbraw/zinc/81/31/86/462813186.db2.gz AITCRDKKPZYITR-OHFALNGGSA-N 0 0 346.427 2.316 40 0 EEABRN Cc1cc(C)nc(N2CCC(CNC(=O)c3ccccn3)CC2)n1 ZINC000012145491 462845562 /nfs/dbraw/zinc/84/55/62/462845562.db2.gz CLEMFPOBWVYGKX-UHFFFAOYSA-N 0 0 325.416 2.135 40 0 EEABRN Cn1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2-n2cccc23)n1 ZINC000012233267 462848540 /nfs/dbraw/zinc/84/85/40/462848540.db2.gz SHTQLTJIAFDWLE-UHFFFAOYSA-N 0 0 348.410 2.163 40 0 EEABRN COc1cc2nc(NC(=O)Cn3ccccc3=O)sc2cc1OC ZINC000048234658 462877614 /nfs/dbraw/zinc/87/76/14/462877614.db2.gz ZFEWVEKXUFMQDL-UHFFFAOYSA-N 0 0 345.380 2.114 40 0 EEABRN O=C(c1ccncc1)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000013266707 462889427 /nfs/dbraw/zinc/88/94/27/462889427.db2.gz PVEWWRFMJZFBCV-UHFFFAOYSA-N 0 0 336.395 2.099 40 0 EEABRN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000013512696 462894055 /nfs/dbraw/zinc/89/40/55/462894055.db2.gz ZFQSDPPADTWKDI-JAZZVVOUSA-N 0 0 344.451 2.443 40 0 EEABRN CC[C@@H](C(=O)NCCC(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013711532 462900955 /nfs/dbraw/zinc/90/09/55/462900955.db2.gz VKODLJZMMHYYID-HNNXBMFYSA-N 0 0 326.462 2.394 40 0 EEABRN O=C(OCc1ccnc(-n2ccnc2)c1)c1ncn(-c2ccccc2)n1 ZINC000091866823 462911987 /nfs/dbraw/zinc/91/19/87/462911987.db2.gz NWCXDPXPODDHJI-UHFFFAOYSA-N 0 0 346.350 2.205 40 0 EEABRN O=C(CSc1nccc(N2CCOCC2)n1)OCc1ccccc1 ZINC000016480264 462981107 /nfs/dbraw/zinc/98/11/07/462981107.db2.gz AIBLHONSKMWACZ-UHFFFAOYSA-N 0 0 345.424 2.149 40 0 EEABRN O=C(CN1c2cc(Cl)ccc2C2=NCCCN2C1=O)N1CCCC1 ZINC000019345947 463017676 /nfs/dbraw/zinc/01/76/76/463017676.db2.gz WHYDGPZBVHCWEJ-UHFFFAOYSA-N 0 0 346.818 2.355 40 0 EEABRN O=C(c1cccs1)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 ZINC000019403553 463018295 /nfs/dbraw/zinc/01/82/95/463018295.db2.gz MGUCYXLODZXFRE-GFCCVEGCSA-N 0 0 340.412 2.101 40 0 EEABRN Cn1ccc(NC(=O)C(=O)N[C@H](c2cccnc2)C2CCCCC2)n1 ZINC000077748408 463036808 /nfs/dbraw/zinc/03/68/08/463036808.db2.gz UKDCENFKAPAFHA-INIZCTEOSA-N 0 0 341.415 2.191 40 0 EEABRN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(N)c1Br ZINC000095094713 463067214 /nfs/dbraw/zinc/06/72/14/463067214.db2.gz MKQRYXXPXDKUFU-UHFFFAOYSA-N 0 0 340.177 2.402 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1 ZINC000052410401 463077162 /nfs/dbraw/zinc/07/71/62/463077162.db2.gz ATVYYGFTSOMHIQ-CYBMUJFWSA-N 0 0 332.425 2.129 40 0 EEABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000052410964 463077201 /nfs/dbraw/zinc/07/72/01/463077201.db2.gz LBNCODZPPPXOMJ-ZDUSSCGKSA-N 0 0 331.416 2.022 40 0 EEABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000052410692 463078020 /nfs/dbraw/zinc/07/80/20/463078020.db2.gz VPJXNRDLPPEBRK-UHFFFAOYSA-N 0 0 325.434 2.249 40 0 EEABRN CC(=O)N1CCC(NC(=O)N(Cc2cccc(O)c2)CC2CC2)CC1 ZINC000157282345 463116260 /nfs/dbraw/zinc/11/62/60/463116260.db2.gz DWKVQDPYTVIPQU-UHFFFAOYSA-N 0 0 345.443 2.325 40 0 EEABRN COCc1ccc(CC(=O)N2CC[C@H]3OCCC[C@]3(COC)C2)cc1 ZINC000096039278 463143867 /nfs/dbraw/zinc/14/38/67/463143867.db2.gz WXWZAPNWCMEEHG-UYAOXDASSA-N 0 0 347.455 2.420 40 0 EEABRN O=C(c1cscn1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042171 463146487 /nfs/dbraw/zinc/14/64/87/463146487.db2.gz HEJGSGXVXQUUTN-HRCADAONSA-N 0 0 345.424 2.127 40 0 EEABRN c1cc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)ccn1 ZINC000096041645 463146740 /nfs/dbraw/zinc/14/67/40/463146740.db2.gz FCKGMAJFEBFKAS-IPMKNSEASA-N 0 0 332.444 2.257 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 ZINC000096043273 463147196 /nfs/dbraw/zinc/14/71/96/463147196.db2.gz HVTXQHKSJOXDFA-CFVMTHIKSA-N 0 0 344.440 2.156 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)c(C)[nH]1 ZINC000096044394 463149103 /nfs/dbraw/zinc/14/91/03/463149103.db2.gz PTKATZXLQVFVBN-MRXNPFEDSA-N 0 0 328.416 2.282 40 0 EEABRN Fc1ccc(CN2CCO[C@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074834 463167403 /nfs/dbraw/zinc/16/74/03/463167403.db2.gz FAFFUSQRIUEEEE-LJQANCHMSA-N 0 0 342.418 2.487 40 0 EEABRN COc1ccc(CCNC(=O)NCc2cc(C3CC3)n(C)n2)cc1 ZINC000096099382 463172673 /nfs/dbraw/zinc/17/26/73/463172673.db2.gz GYCWHRSORITBEW-UHFFFAOYSA-N 0 0 328.416 2.348 40 0 EEABRN O=C(Cc1ccco1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107382 463174986 /nfs/dbraw/zinc/17/49/86/463174986.db2.gz NHVAYXYVVRVAGJ-APWZRJJASA-N 0 0 342.395 2.446 40 0 EEABRN CCO[C@@H]1CO[C@]2(C1)CCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096107449 463176114 /nfs/dbraw/zinc/17/61/14/463176114.db2.gz SKYTZWUCUMBFBY-HOCLYGCPSA-N 0 0 325.430 2.035 40 0 EEABRN O=C(c1ccc(F)cc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108833 463176523 /nfs/dbraw/zinc/17/65/23/463176523.db2.gz LAUSYQCTGYBGBE-BEFAXECRSA-N 0 0 342.370 2.388 40 0 EEABRN C[C@H]1c2ncc(COc3cccnc3)n2CCN1C1CCOCC1 ZINC000096111101 463179216 /nfs/dbraw/zinc/17/92/16/463179216.db2.gz UYHULRHAMLEDOG-AWEZNQCLSA-N 0 0 328.416 2.413 40 0 EEABRN Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2ccccc2)n1 ZINC000096120826 463181889 /nfs/dbraw/zinc/18/18/89/463181889.db2.gz KFSFMRYPQQCMHG-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN Cc1ccc(C)c(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 ZINC000096121291 463182346 /nfs/dbraw/zinc/18/23/46/463182346.db2.gz STPCENPKCYEMPJ-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN O=C([C@@H]1CCCO1)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCc1cccnc1 ZINC000096183030 463194219 /nfs/dbraw/zinc/19/42/19/463194219.db2.gz ZWBRGXBFKZQMJD-XDNAFOTISA-N 0 0 330.428 2.404 40 0 EEABRN CN(Cc1ccco1)[C@@H]1CN(C(=O)c2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185981 463197487 /nfs/dbraw/zinc/19/74/87/463197487.db2.gz OPMDQBBNCLPXBH-KURKYZTESA-N 0 0 341.411 2.179 40 0 EEABRN O=C(CC1CCCC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096188604 463200194 /nfs/dbraw/zinc/20/01/94/463200194.db2.gz MLBPKNMFSPKOLL-MRXNPFEDSA-N 0 0 327.432 2.319 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)CC1 ZINC000096192738 463202048 /nfs/dbraw/zinc/20/20/48/463202048.db2.gz GOZOKPMZRJQWFU-LJQANCHMSA-N 0 0 344.411 2.371 40 0 EEABRN Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)c2ccco2)C3)n1 ZINC000096209030 463212185 /nfs/dbraw/zinc/21/21/85/463212185.db2.gz BKCGXXDPBHPDDT-BEFAXECRSA-N 0 0 342.395 2.288 40 0 EEABRN Cc1cc(CN2CCOC[C@@H]2c2nccc(NC3CCC3)n2)no1 ZINC000096220441 463217316 /nfs/dbraw/zinc/21/73/16/463217316.db2.gz PLTAGOINONBPCU-OAHLLOKOSA-N 0 0 329.404 2.311 40 0 EEABRN O=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096227717 463221963 /nfs/dbraw/zinc/22/19/63/463221963.db2.gz DNQNYSXWFBTTOD-RHSMWYFYSA-N 0 0 333.457 2.292 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238802 463224258 /nfs/dbraw/zinc/22/42/58/463224258.db2.gz JBZVTCURTMWZLZ-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN CC(C)NC(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000096241237 463225317 /nfs/dbraw/zinc/22/53/17/463225317.db2.gz PYNUEJNMZOBHFG-YOEHRIQHSA-N 0 0 337.395 2.274 40 0 EEABRN O=C(c1ccncc1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260030 463229552 /nfs/dbraw/zinc/22/95/52/463229552.db2.gz VEEKIMCSPXKQIF-UHFFFAOYSA-N 0 0 336.351 2.242 40 0 EEABRN c1csc(COCc2n[nH]c3c2CN(Cc2ccncc2)C3)n1 ZINC000096260233 463230425 /nfs/dbraw/zinc/23/04/25/463230425.db2.gz UYDARKZRURDDOY-UHFFFAOYSA-N 0 0 327.413 2.494 40 0 EEABRN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCOC(C)C ZINC000096405539 463239320 /nfs/dbraw/zinc/23/93/20/463239320.db2.gz OBJVBRBDDYRUCX-HNNXBMFYSA-N 0 0 343.493 2.395 40 0 EEABRN Cc1cc(CNC(=O)NCCCC(=O)N2CCc3ccccc32)on1 ZINC000096405582 463239644 /nfs/dbraw/zinc/23/96/44/463239644.db2.gz QZWJHHZLVBSICT-UHFFFAOYSA-N 0 0 342.399 2.152 40 0 EEABRN O=C(CCCNC(=O)C1CC1)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407595 463240291 /nfs/dbraw/zinc/24/02/91/463240291.db2.gz BHMDEBJMMKSLIH-MRXNPFEDSA-N 0 0 347.434 2.217 40 0 EEABRN COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(Br)cn1C ZINC000096408077 463241438 /nfs/dbraw/zinc/24/14/38/463241438.db2.gz NREGXNILJMRYLJ-UHFFFAOYSA-N 0 0 340.177 2.463 40 0 EEABRN Cc1ccnc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000096412865 463244863 /nfs/dbraw/zinc/24/48/63/463244863.db2.gz GELCANUUEBWKNG-UHFFFAOYSA-N 0 0 346.456 2.298 40 0 EEABRN CS[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000096416544 463248330 /nfs/dbraw/zinc/24/83/30/463248330.db2.gz RNBMDBIDJIRGKX-LSDHHAIUSA-N 0 0 334.489 2.483 40 0 EEABRN C[C@H](CCc1ccc(F)c(F)c1)NC(=O)CNC(=O)c1ccccn1 ZINC000096417014 463249598 /nfs/dbraw/zinc/24/95/98/463249598.db2.gz QCCJFYJYRQSMEE-GFCCVEGCSA-N 0 0 347.365 2.227 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cnn(C(C)(C)C)c1)CC2 ZINC000096420934 463252063 /nfs/dbraw/zinc/25/20/63/463252063.db2.gz SSHLBERAIYKZJR-HUUCEWRRSA-N 0 0 335.448 2.030 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000096422350 463253022 /nfs/dbraw/zinc/25/30/22/463253022.db2.gz CNEQEYQXOSSCPY-OSMZGAPFSA-N 0 0 340.395 2.058 40 0 EEABRN CCc1cc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)[nH]n1 ZINC000096426487 463256023 /nfs/dbraw/zinc/25/60/23/463256023.db2.gz UNPZHVUZMKYJSZ-UHFFFAOYSA-N 0 0 340.427 2.141 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)S1 ZINC000096426976 463256148 /nfs/dbraw/zinc/25/61/48/463256148.db2.gz OIKCNCQKCRKZAG-ZDUSSCGKSA-N 0 0 342.468 2.346 40 0 EEABRN CC(C)(CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C(N)=O ZINC000096429193 463258738 /nfs/dbraw/zinc/25/87/38/463258738.db2.gz MBKGKLMZLNACNB-UHFFFAOYSA-N 0 0 339.321 2.481 40 0 EEABRN O=C(Nc1ccn(Cc2ccccn2)n1)N1CCO[C@H]2CCC[C@@H]21 ZINC000096435044 463261893 /nfs/dbraw/zinc/26/18/93/463261893.db2.gz BZJRQFFNVBJZMP-GJZGRUSLSA-N 0 0 327.388 2.112 40 0 EEABRN CCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)n(C)n1 ZINC000096434936 463262202 /nfs/dbraw/zinc/26/22/02/463262202.db2.gz PVTGCSIGDHPWRX-OAHLLOKOSA-N 0 0 341.415 2.218 40 0 EEABRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc3ccccc3n1)CC2 ZINC000096443374 463268262 /nfs/dbraw/zinc/26/82/62/463268262.db2.gz WESKLCIRUZCTPO-UHFFFAOYSA-N 0 0 339.420 2.445 40 0 EEABRN NC(=O)N1CCC[C@@H]1COC(=O)c1cccc(Br)c1 ZINC000096442218 463268742 /nfs/dbraw/zinc/26/87/42/463268742.db2.gz XYKLCVSSTZNLGV-LLVKDONJSA-N 0 0 327.178 2.149 40 0 EEABRN Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2c2ncccn2)c1 ZINC000096446775 463271256 /nfs/dbraw/zinc/27/12/56/463271256.db2.gz FMXDJDXJYJQWHC-RDJZCZTQSA-N 0 0 340.427 2.338 40 0 EEABRN C[C@@](O)(CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccsc1 ZINC000096450356 463271894 /nfs/dbraw/zinc/27/18/94/463271894.db2.gz VCAYDVUETNTTSI-SWLSCSKDSA-N 0 0 337.470 2.197 40 0 EEABRN CC(C)c1noc(-c2ccnc(N3CCC[C@H]3C(=O)N(C)C)c2)n1 ZINC000096453288 463274028 /nfs/dbraw/zinc/27/40/28/463274028.db2.gz QXMAAYJOWXBRSD-ZDUSSCGKSA-N 0 0 329.404 2.312 40 0 EEABRN NC(=O)[C@H](c1ccccc1)N1CCN(c2ccncc2Cl)CC1 ZINC000096453993 463274623 /nfs/dbraw/zinc/27/46/23/463274623.db2.gz WYUMPQLTDXVFJU-INIZCTEOSA-N 0 0 330.819 2.084 40 0 EEABRN CCc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3ccccn32)s1 ZINC000096459132 463277028 /nfs/dbraw/zinc/27/70/28/463277028.db2.gz UHYWEWVCOPWSHC-JTQLQIEISA-N 0 0 336.442 2.393 40 0 EEABRN CC(=O)c1c(F)cccc1NCC(C)(C)N1CCS(=O)CC1 ZINC000096483212 463282355 /nfs/dbraw/zinc/28/23/55/463282355.db2.gz OBKNFKXJKAHCNS-UHFFFAOYSA-N 0 0 326.437 2.283 40 0 EEABRN C[C@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)N1CCSCC1 ZINC000096486917 463285327 /nfs/dbraw/zinc/28/53/27/463285327.db2.gz ZEBJMBBADHDHQP-GDBMZVCRSA-N 0 0 338.473 2.225 40 0 EEABRN CCOc1ccccc1N1CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000096494519 463289285 /nfs/dbraw/zinc/28/92/85/463289285.db2.gz GLTQEHYFIFTTGT-UHFFFAOYSA-N 0 0 340.427 2.304 40 0 EEABRN O=C(CN1CCOC[C@@H]1C1CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000096495656 463289358 /nfs/dbraw/zinc/28/93/58/463289358.db2.gz FOCMDIPJXUNQDR-QGZVFWFLSA-N 0 0 344.459 2.121 40 0 EEABRN Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)nc2ccccc12 ZINC000097097868 463323063 /nfs/dbraw/zinc/32/30/63/463323063.db2.gz YYHAPKLOLFGDOO-UHFFFAOYSA-N 0 0 348.406 2.375 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC2)n1 ZINC000097100761 463323813 /nfs/dbraw/zinc/32/38/13/463323813.db2.gz AXUZLLBSPMRQRD-INIZCTEOSA-N 0 0 348.491 2.455 40 0 EEABRN COc1cc(C)c(S(=O)(=O)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000069885828 463344738 /nfs/dbraw/zinc/34/47/38/463344738.db2.gz CATMHCGKZXAXLE-LLVKDONJSA-N 0 0 343.445 2.089 40 0 EEABRN COc1cccc([C@@H](O)CNC(=O)CCn2cnc3ccccc32)c1 ZINC000097228173 463351024 /nfs/dbraw/zinc/35/10/24/463351024.db2.gz ZDCAMOUDMTZAGO-SFHVURJKSA-N 0 0 339.395 2.285 40 0 EEABRN C[C@H](Nc1ccc2[nH]nnc2c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097231536 463351056 /nfs/dbraw/zinc/35/10/56/463351056.db2.gz DQBOATSASPXMGG-NSHDSACASA-N 0 0 345.428 2.381 40 0 EEABRN CCC[C@H]1C[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000097236686 463352305 /nfs/dbraw/zinc/35/23/05/463352305.db2.gz SAGMDTGXELHOHJ-SJORKVTESA-N 0 0 349.475 2.177 40 0 EEABRN CCc1cc(C)nc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 ZINC000097379579 463357754 /nfs/dbraw/zinc/35/77/54/463357754.db2.gz FULQVEUYUJIAQR-UHFFFAOYSA-N 0 0 339.443 2.275 40 0 EEABRN CC1(C)CN(S(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 ZINC000104765775 463421268 /nfs/dbraw/zinc/42/12/68/463421268.db2.gz BUAMVJHCSYUBFH-UHFFFAOYSA-N 0 0 345.468 2.367 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 ZINC000057320745 463478696 /nfs/dbraw/zinc/47/86/96/463478696.db2.gz CPTLAGYMGLPDRH-ZFWWWQNUSA-N 0 0 336.407 2.137 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000072237894 463485723 /nfs/dbraw/zinc/48/57/23/463485723.db2.gz JOCMBGKHTNFDKH-ROUUACIJSA-N 0 0 342.370 2.040 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c(C)o1 ZINC000081756672 463488260 /nfs/dbraw/zinc/48/82/60/463488260.db2.gz BUCNCNQUNVOURM-HWPZZCPQSA-N 0 0 348.424 2.159 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000072395367 463508939 /nfs/dbraw/zinc/50/89/39/463508939.db2.gz WIXFAUDAHMIAAV-VWYCJHECSA-N 0 0 335.358 2.424 40 0 EEABRN COCCCN1Cc2cc3cc(OC)ccc3nc2O[C@@H](C)C1=O ZINC000072346420 463509293 /nfs/dbraw/zinc/50/92/93/463509293.db2.gz CHIXHSUZMFPDPH-LBPRGKRZSA-N 0 0 330.384 2.389 40 0 EEABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000057773480 463516642 /nfs/dbraw/zinc/51/66/42/463516642.db2.gz KBZVSUYRRXZSNJ-KBPBESRZSA-N 0 0 329.425 2.130 40 0 EEABRN CC(C)(C)c1nc(CN(c2ccccc2F)S(C)(=O)=O)no1 ZINC000151776060 463589470 /nfs/dbraw/zinc/58/94/70/463589470.db2.gz LNACCYLEBBAPDT-UHFFFAOYSA-N 0 0 327.381 2.472 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccccc1F ZINC000151781413 463589999 /nfs/dbraw/zinc/58/99/99/463589999.db2.gz ISDYWDFGVVYXEZ-UHFFFAOYSA-N 0 0 342.436 2.288 40 0 EEABRN O=C(c1ccncc1F)N1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC000108530847 463610069 /nfs/dbraw/zinc/61/00/69/463610069.db2.gz LWJYVLKLIDCWER-UHFFFAOYSA-N 0 0 331.391 2.085 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108536250 463610949 /nfs/dbraw/zinc/61/09/49/463610949.db2.gz BVIADTKSGVAPIM-OAHLLOKOSA-N 0 0 342.399 2.336 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@H]2CCCC[C@@H]21 ZINC000084591007 463614290 /nfs/dbraw/zinc/61/42/90/463614290.db2.gz GCKDYWPAGIVIBC-OCCSQVGLSA-N 0 0 340.445 2.243 40 0 EEABRN O=C(C[C@@H]1OC(=O)c2ccccc21)NCCc1ccc2c(c1)OCO2 ZINC000044869997 463697241 /nfs/dbraw/zinc/69/72/41/463697241.db2.gz OUKMJUIRQAZKAE-INIZCTEOSA-N 0 0 339.347 2.376 40 0 EEABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCN1CCOCC1 ZINC000044884903 463697466 /nfs/dbraw/zinc/69/74/66/463697466.db2.gz JPBJNDVYKYLGOS-SFHVURJKSA-N 0 0 342.439 2.446 40 0 EEABRN COc1cccc(CNC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 ZINC000044872895 463697752 /nfs/dbraw/zinc/69/77/52/463697752.db2.gz UBVPOMRHBOXDQP-UHFFFAOYSA-N 0 0 344.411 2.021 40 0 EEABRN Cc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)c(C)c1 ZINC000044906838 463700844 /nfs/dbraw/zinc/70/08/44/463700844.db2.gz DCIMADMWYBKOHG-UHFFFAOYSA-N 0 0 337.383 2.088 40 0 EEABRN C[C@@H]1C(=O)N(C[C@H](O)c2ccc(F)c(Br)c2)C(=O)[C@H]1C ZINC000185018515 463736953 /nfs/dbraw/zinc/73/69/53/463736953.db2.gz TVOPWIZXMDDQNF-UBJUHAIHSA-N 0 0 344.180 2.263 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cscn2)cc1 ZINC000257277062 463758850 /nfs/dbraw/zinc/75/88/50/463758850.db2.gz NWHODTASOCUCSR-INIZCTEOSA-N 0 0 345.424 2.197 40 0 EEABRN Cc1csc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)c1 ZINC000257284526 463761222 /nfs/dbraw/zinc/76/12/22/463761222.db2.gz PDASATMLICTRQD-QGZVFWFLSA-N 0 0 331.441 2.213 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCO[C@@H](c4nc(C)c[nH]4)C3)c2c1 ZINC000257285209 463761733 /nfs/dbraw/zinc/76/17/33/463761733.db2.gz PGCMORDHVAVECK-MRXNPFEDSA-N 0 0 340.383 2.422 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 ZINC000257283377 463762153 /nfs/dbraw/zinc/76/21/53/463762153.db2.gz OYAJUXHKCKNSMV-CYBMUJFWSA-N 0 0 340.383 2.183 40 0 EEABRN CCn1cc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290607 463764151 /nfs/dbraw/zinc/76/41/51/463764151.db2.gz QDOJNNKDJRUECO-QGZVFWFLSA-N 0 0 329.448 2.246 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(Cc3ncccc3C)CCN2C)c1 ZINC000257292939 463765651 /nfs/dbraw/zinc/76/56/51/463765651.db2.gz QNNNMOPHTBXVNO-LJQANCHMSA-N 0 0 338.455 2.238 40 0 EEABRN CC(=O)Nc1ncc(-c2cncc([C@H]3CCCN(C(C)=O)C3)n2)s1 ZINC000257299281 463768397 /nfs/dbraw/zinc/76/83/97/463768397.db2.gz RPKHCZGSFMXDFZ-LBPRGKRZSA-N 0 0 345.428 2.284 40 0 EEABRN Cn1ccnc1CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257326712 463779885 /nfs/dbraw/zinc/77/98/85/463779885.db2.gz WYHMALCHILUNTK-HKUYNNGSSA-N 0 0 327.428 2.370 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)ccn1 ZINC000257331425 463780636 /nfs/dbraw/zinc/78/06/36/463780636.db2.gz XSULMJBRVBTIHI-HNNXBMFYSA-N 0 0 339.399 2.454 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)ccn1 ZINC000257331426 463781194 /nfs/dbraw/zinc/78/11/94/463781194.db2.gz XSULMJBRVBTIHI-OAHLLOKOSA-N 0 0 339.399 2.454 40 0 EEABRN COCCCNC(=O)c1ncccc1-c1cccc(CNC(C)=O)c1 ZINC000257332184 463781618 /nfs/dbraw/zinc/78/16/18/463781618.db2.gz XWDBQJMMVOQRPX-UHFFFAOYSA-N 0 0 341.411 2.151 40 0 EEABRN COCc1ccc(C(=O)NCc2ccnc([C@H]3CCCO3)n2)cc1 ZINC000257338831 463784178 /nfs/dbraw/zinc/78/41/78/463784178.db2.gz YZCQMINMIHHSKK-MRXNPFEDSA-N 0 0 327.384 2.405 40 0 EEABRN COCc1ccc(C(=O)NCc2ccnc([C@@H]3CCCO3)n2)cc1 ZINC000257338830 463784583 /nfs/dbraw/zinc/78/45/83/463784583.db2.gz YZCQMINMIHHSKK-INIZCTEOSA-N 0 0 327.384 2.405 40 0 EEABRN Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257342663 463787837 /nfs/dbraw/zinc/78/78/37/463787837.db2.gz ZPQBNLVJGJACAM-CYBMUJFWSA-N 0 0 326.400 2.327 40 0 EEABRN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278737878 463979268 /nfs/dbraw/zinc/97/92/68/463979268.db2.gz INRLEUKRQURNQJ-NSHDSACASA-N 0 0 347.820 2.065 40 0 EEABRN COc1ccccc1OCCn1cnnc1[C@H](O)c1ccccc1 ZINC000195172609 464010241 /nfs/dbraw/zinc/01/02/41/464010241.db2.gz FHAZOIPRDODLMH-QGZVFWFLSA-N 0 0 325.368 2.447 40 0 EEABRN CCc1cc(=O)n(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cn1 ZINC000195558242 464076111 /nfs/dbraw/zinc/07/61/11/464076111.db2.gz JOLYVOBZDVWVGH-UHFFFAOYSA-N 0 0 333.754 2.227 40 0 EEABRN C[C@H]1c2ccccc2CCN1C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000172570944 464108642 /nfs/dbraw/zinc/10/86/42/464108642.db2.gz QKQRKRPFLKSKKF-ZDUSSCGKSA-N 0 0 344.436 2.235 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCc3ccc(F)cc32)CC1 ZINC000179387468 464124947 /nfs/dbraw/zinc/12/49/47/464124947.db2.gz GGIDTVIAOGRRPB-CYBMUJFWSA-N 0 0 348.418 2.378 40 0 EEABRN Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)o1 ZINC000223242634 464139023 /nfs/dbraw/zinc/13/90/23/464139023.db2.gz CWIKVILDNUZHPJ-HNNXBMFYSA-N 0 0 332.425 2.499 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000223213021 464139527 /nfs/dbraw/zinc/13/95/27/464139527.db2.gz ALQWAKCSEHOHEA-UHFFFAOYSA-N 0 0 342.395 2.170 40 0 EEABRN Cn1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)n1 ZINC000223373312 464141840 /nfs/dbraw/zinc/14/18/40/464141840.db2.gz CPQOKUZROWGGFQ-OAHLLOKOSA-N 0 0 337.383 2.031 40 0 EEABRN CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000224070630 464148549 /nfs/dbraw/zinc/14/85/49/464148549.db2.gz GQVMUROPWPICQG-UHFFFAOYSA-N 0 0 344.502 2.335 40 0 EEABRN Cc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(C)c1 ZINC000224176085 464148780 /nfs/dbraw/zinc/14/87/80/464148780.db2.gz ZGVQEBTYCQONNO-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN CCOCCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000224067487 464148853 /nfs/dbraw/zinc/14/88/53/464148853.db2.gz ABFRPJNHNCJKMY-UHFFFAOYSA-N 0 0 327.446 2.279 40 0 EEABRN CN1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000224252533 464149717 /nfs/dbraw/zinc/14/97/17/464149717.db2.gz YETKULLLUTYXPE-UHFFFAOYSA-N 0 0 331.807 2.134 40 0 EEABRN COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000224824187 464153169 /nfs/dbraw/zinc/15/31/69/464153169.db2.gz CYHSEELVPHJOEX-UHFFFAOYSA-N 0 0 335.381 2.292 40 0 EEABRN Cc1ccc2c(CCNC(=O)N3CCC[C@@H](CO)C3)cn(C)c2c1 ZINC000187809674 464164248 /nfs/dbraw/zinc/16/42/48/464164248.db2.gz OITLWZLFIVAUEH-OAHLLOKOSA-N 0 0 329.444 2.443 40 0 EEABRN O=C(c1ccoc1Br)N1CCO[C@H](COCC2CC2)C1 ZINC000225549616 464170288 /nfs/dbraw/zinc/17/02/88/464170288.db2.gz SFFMLECZWSFQJF-NSHDSACASA-N 0 0 344.205 2.310 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H](OCCO)C1 ZINC000230476813 464204765 /nfs/dbraw/zinc/20/47/65/464204765.db2.gz MFGDVJJKEXDNAA-HRCADAONSA-N 0 0 338.835 2.379 40 0 EEABRN O=C(c1cccc2n[nH]nc21)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000188772195 464365946 /nfs/dbraw/zinc/36/59/46/464365946.db2.gz UKDGQMHTWFMICP-CYBMUJFWSA-N 0 0 326.331 2.391 40 0 EEABRN C[C@H](CNC(=O)N(C)CC1(O)CCOCC1)c1ccc(F)cc1F ZINC000189048237 464423412 /nfs/dbraw/zinc/42/34/12/464423412.db2.gz XATSXAVWEHMGBC-GFCCVEGCSA-N 0 0 342.386 2.251 40 0 EEABRN O=C(COc1ccccc1)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000238819668 464437762 /nfs/dbraw/zinc/43/77/62/464437762.db2.gz CIDYCKJWOVORKJ-UHFFFAOYSA-N 0 0 340.427 2.451 40 0 EEABRN CC(C)[C@H](Cn1nccn1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000238861825 464438580 /nfs/dbraw/zinc/43/85/80/464438580.db2.gz KVNWFTBATLZCBR-KRWDZBQOSA-N 0 0 342.443 2.167 40 0 EEABRN COCc1nsc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000241586416 464453746 /nfs/dbraw/zinc/45/37/46/464453746.db2.gz OVVBLGAMLTVATO-LBPRGKRZSA-N 0 0 336.392 2.037 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242687323 464458556 /nfs/dbraw/zinc/45/85/56/464458556.db2.gz UFGPOZKDTVXAJO-KSZLIROESA-N 0 0 331.437 2.279 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000245187573 464466910 /nfs/dbraw/zinc/46/69/10/464466910.db2.gz ZPBTUSCCBPZOMC-HNNXBMFYSA-N 0 0 326.400 2.316 40 0 EEABRN CC(C)c1nc(CSc2nnnn2-c2ccc3c(c2)OCO3)no1 ZINC000265338060 464523665 /nfs/dbraw/zinc/52/36/65/464523665.db2.gz YMKRJZKGRNKIQT-UHFFFAOYSA-N 0 0 346.372 2.190 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000246197172 464557667 /nfs/dbraw/zinc/55/76/67/464557667.db2.gz KODLRUIHHICYKS-WSMBLCCSSA-N 0 0 336.480 2.040 40 0 EEABRN CCc1nn(C)cc1NC(=O)NC1CCN(c2nccs2)CC1 ZINC000281892111 464624690 /nfs/dbraw/zinc/62/46/90/464624690.db2.gz HHIMCSBQAIUNMJ-UHFFFAOYSA-N 0 0 334.449 2.230 40 0 EEABRN O=C(NCCc1nnc2n1CCCCC2)Nc1ccc(Cl)cn1 ZINC000175822172 464634386 /nfs/dbraw/zinc/63/43/86/464634386.db2.gz VQNJRVAMWNWMCI-UHFFFAOYSA-N 0 0 334.811 2.417 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247838981 464709300 /nfs/dbraw/zinc/70/93/00/464709300.db2.gz DURUDRUXQXIVIZ-HNNXBMFYSA-N 0 0 337.441 2.423 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)s1 ZINC000247992370 464721720 /nfs/dbraw/zinc/72/17/20/464721720.db2.gz BDCGNLZVZFWAPW-NSHDSACASA-N 0 0 336.392 2.055 40 0 EEABRN Cn1cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC000248090566 464729726 /nfs/dbraw/zinc/72/97/26/464729726.db2.gz CEAHPMNCCSPHRP-IPMKNSEASA-N 0 0 342.443 2.011 40 0 EEABRN Cc1cc(S(=O)(=O)NC2CCN(Cc3ccncc3)CC2)c(C)o1 ZINC000183098713 464796673 /nfs/dbraw/zinc/79/66/73/464796673.db2.gz WBBARTWZYHCRTM-UHFFFAOYSA-N 0 0 349.456 2.234 40 0 EEABRN CCCNc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000192520523 464939908 /nfs/dbraw/zinc/93/99/08/464939908.db2.gz CYJGTLQLLHRUFT-HNNXBMFYSA-N 0 0 328.420 2.434 40 0 EEABRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC1=NCCS1 ZINC000252478506 464958506 /nfs/dbraw/zinc/95/85/06/464958506.db2.gz AOGLHMPSJGPZCL-SNVBAGLBSA-N 0 0 345.877 2.375 40 0 EEABRN CSc1ccccc1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC000252495182 464967982 /nfs/dbraw/zinc/96/79/82/464967982.db2.gz OMSPTQUKZXGVES-UHFFFAOYSA-N 0 0 330.413 2.287 40 0 EEABRN COc1cnc2ccccc2c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000252502848 464972464 /nfs/dbraw/zinc/97/24/64/464972464.db2.gz UVKOKTXKBUGHBH-HNNXBMFYSA-N 0 0 340.301 2.383 40 0 EEABRN CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000282872986 464983553 /nfs/dbraw/zinc/98/35/53/464983553.db2.gz DTAOEQNHGNUCQJ-MRXNPFEDSA-N 0 0 346.475 2.328 40 0 EEABRN CC(C)Oc1ncccc1C(=O)N1CCN(c2ncccc2F)CC1 ZINC000253416510 465004787 /nfs/dbraw/zinc/00/47/87/465004787.db2.gz LYSJTNOJTPCNPM-UHFFFAOYSA-N 0 0 344.390 2.365 40 0 EEABRN CC(C)N(C)c1ccccc1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000253421028 465008888 /nfs/dbraw/zinc/00/88/88/465008888.db2.gz XNEGJOQMFCAGAK-ZDUSSCGKSA-N 0 0 327.432 2.071 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)no1 ZINC000253476694 465015888 /nfs/dbraw/zinc/01/58/88/465015888.db2.gz AWJWJLWHEXKKKT-LLVKDONJSA-N 0 0 349.387 2.296 40 0 EEABRN C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976021 465881357 /nfs/dbraw/zinc/88/13/57/465881357.db2.gz UCHHOLLGNPCBBJ-QWHCGFSZSA-N 0 0 331.478 2.054 40 0 EEABRN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000331532822 466128035 /nfs/dbraw/zinc/12/80/35/466128035.db2.gz SOGIUDFXLFJLCN-IUIKQTSFSA-N 0 0 336.480 2.404 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000302852520 466197552 /nfs/dbraw/zinc/19/75/52/466197552.db2.gz QFBOGZWXLSHDPG-MRXNPFEDSA-N 0 0 338.459 2.355 40 0 EEABRN CCCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 ZINC000306125027 466487403 /nfs/dbraw/zinc/48/74/03/466487403.db2.gz CEVHPBNOHWIWAX-MRXNPFEDSA-N 0 0 345.443 2.009 40 0 EEABRN O=C(Nc1ccccc1)c1cnc2n1C[C@@H](Nc1ncccn1)CC2 ZINC000306144709 466496127 /nfs/dbraw/zinc/49/61/27/466496127.db2.gz ZMRMBERMLTWDMW-AWEZNQCLSA-N 0 0 334.383 2.352 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1 ZINC000408536199 466679961 /nfs/dbraw/zinc/67/99/61/466679961.db2.gz YPDIRAXKDAYPPF-UHFFFAOYSA-N 0 0 342.461 2.012 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408595427 466682122 /nfs/dbraw/zinc/68/21/22/466682122.db2.gz QEKAVABPTWFCCQ-QWHCGFSZSA-N 0 0 342.461 2.057 40 0 EEABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)cc2O)C1=O ZINC000409014966 466684699 /nfs/dbraw/zinc/68/46/99/466684699.db2.gz QQIUIQPFDAFTDB-OPYOOOJUSA-N 0 0 337.353 2.086 40 0 EEABRN O=C(CN1C(=O)N/C(=C/c2ccccc2)C1=O)Nc1ccccc1F ZINC000409213156 466686480 /nfs/dbraw/zinc/68/64/80/466686480.db2.gz OUGCYWASFDAGIP-XNTDXEJSSA-N 0 0 339.326 2.357 40 0 EEABRN COC(=O)c1ccccc1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000390829778 467412670 /nfs/dbraw/zinc/41/26/70/467412670.db2.gz GOTGFNMZIUHJAR-CYBMUJFWSA-N 0 0 340.383 2.029 40 0 EEABRN CC(=O)NCC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000390833215 467414371 /nfs/dbraw/zinc/41/43/71/467414371.db2.gz DSMPTCWOJHGSSZ-CQSZACIVSA-N 0 0 343.196 2.292 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccccc1)CO2 ZINC000575406544 468142704 /nfs/dbraw/zinc/14/27/04/468142704.db2.gz YVQMAUFRBFGIQL-BFYDXBDKSA-N 0 0 342.439 2.080 40 0 EEABRN CCN(C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421374 468143667 /nfs/dbraw/zinc/14/36/67/468143667.db2.gz PLAZFOGHFMPBPF-ZWKOTPCHSA-N 0 0 345.464 2.256 40 0 EEABRN Cc1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422788 468143851 /nfs/dbraw/zinc/14/38/51/468143851.db2.gz WLZKROGEWHPAKK-RTBURBONSA-N 0 0 345.464 2.155 40 0 EEABRN CCn1ccc2ccn(CCNC(=O)c3cc(C4CC4)on3)c(=O)c21 ZINC000575605202 468145631 /nfs/dbraw/zinc/14/56/31/468145631.db2.gz BKRKWKXYXBYQBY-UHFFFAOYSA-N 0 0 340.383 2.118 40 0 EEABRN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2ncccn2)C1 ZINC000575605263 468145975 /nfs/dbraw/zinc/14/59/75/468145975.db2.gz INXXVHJKFGZWKZ-NSHDSACASA-N 0 0 338.289 2.184 40 0 EEABRN O=C(COCc1ccccc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575605064 468146096 /nfs/dbraw/zinc/14/60/96/468146096.db2.gz GROIKAGJGPHWPA-OAHLLOKOSA-N 0 0 347.802 2.327 40 0 EEABRN O=S(=O)(C1CCCCC1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575606116 468146593 /nfs/dbraw/zinc/14/65/93/468146593.db2.gz SFGXQHMJUGGIPH-ZDUSSCGKSA-N 0 0 343.424 2.121 40 0 EEABRN CCN1CC[C@@]2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093092 468962565 /nfs/dbraw/zinc/96/25/65/468962565.db2.gz BPABGEVYQRRLDP-QGZVFWFLSA-N 0 0 338.398 2.259 40 0 EEABRN CN1CC[C@@]2(CN(C(=O)c3cccc(F)c3)CC(F)(F)C2)C1=O ZINC000585093258 468963440 /nfs/dbraw/zinc/96/34/40/468963440.db2.gz LVUFCWWMXRBMNJ-OAHLLOKOSA-N 0 0 326.318 2.155 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)COc1ccccc1C)[C@H]2C ZINC000585097526 468965180 /nfs/dbraw/zinc/96/51/80/468965180.db2.gz LAPXFJISBJIDEK-HNNXBMFYSA-N 0 0 343.427 2.363 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](OCc2ccccn2)CS3)n(C)n1 ZINC000585103405 468970469 /nfs/dbraw/zinc/97/04/69/468970469.db2.gz AYXPHAYKSUVXHR-KRWDZBQOSA-N 0 0 344.484 2.400 40 0 EEABRN COC[C@@H](C)NC(=O)c1nc2c(o1)CCN(CC1CCCCC1)C2 ZINC000585112659 468974790 /nfs/dbraw/zinc/97/47/90/468974790.db2.gz SQIXPQAQPBEGCC-CYBMUJFWSA-N 0 0 335.448 2.378 40 0 EEABRN CC1(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111105 468975402 /nfs/dbraw/zinc/97/54/02/468975402.db2.gz DUTPTLVHPQSGOH-INIZCTEOSA-N 0 0 325.412 2.462 40 0 EEABRN C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000585139586 468988369 /nfs/dbraw/zinc/98/83/69/468988369.db2.gz PDCMBQHTOLMWHT-YGNAEDSMSA-N 0 0 342.848 2.023 40 0 EEABRN CC[C@@H](Sc1ccccc1)C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC000585141223 468990387 /nfs/dbraw/zinc/99/03/87/468990387.db2.gz RINOOWSGEAPVTF-TZMCWYRMSA-N 0 0 346.456 2.496 40 0 EEABRN O=C(NCc1cccs1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000585147357 468993365 /nfs/dbraw/zinc/99/33/65/468993365.db2.gz TYNMKCTXPHBSMF-GFCCVEGCSA-N 0 0 336.392 2.430 40 0 EEABRN CNc1nc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)cn2cccc12 ZINC000585178001 468994117 /nfs/dbraw/zinc/99/41/17/468994117.db2.gz NBQFHSRMEMERTQ-HNNXBMFYSA-N 0 0 336.399 2.452 40 0 EEABRN CC(=O)Nc1nc([C@H]2CCCCN2CC(=O)N2CCCC2)cs1 ZINC000585268750 468996100 /nfs/dbraw/zinc/99/61/00/468996100.db2.gz CCTPAVQEZUGBFF-CQSZACIVSA-N 0 0 336.461 2.251 40 0 EEABRN O=C(c1cccc(F)c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585269324 468996958 /nfs/dbraw/zinc/99/69/58/468996958.db2.gz PFENYNWAQHOGQV-IBGZPJMESA-N 0 0 329.371 2.272 40 0 EEABRN Cc1ccc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000585283655 469008089 /nfs/dbraw/zinc/00/80/89/469008089.db2.gz CMEQTKOXTHVLFH-ZTFGCOKTSA-N 0 0 326.396 2.338 40 0 EEABRN COc1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)ccn1 ZINC000585283389 469008163 /nfs/dbraw/zinc/00/81/63/469008163.db2.gz ALXUDUSTQORJJU-QGPMSJSTSA-N 0 0 342.395 2.039 40 0 EEABRN CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)[C@@H]1O ZINC000585280717 469008770 /nfs/dbraw/zinc/00/87/70/469008770.db2.gz NULNDINQXFRQDR-QRVBRYPASA-N 0 0 344.455 2.010 40 0 EEABRN O=C(NC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O)c1cocn1 ZINC000585285618 469009799 /nfs/dbraw/zinc/00/97/99/469009799.db2.gz POUUHPKXVMCERI-HFBAOOFYSA-N 0 0 334.347 2.152 40 0 EEABRN Cc1noc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000601971573 469119499 /nfs/dbraw/zinc/11/94/99/469119499.db2.gz LECWGMBOQNWBPF-PEYYIBSZSA-N 0 0 342.399 2.165 40 0 EEABRN CC[N@@H+](Cc1ncccc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000652391706 471284989 /nfs/dbraw/zinc/28/49/89/471284989.db2.gz HAXKVDBVCNKMTD-CYBMUJFWSA-N 0 0 328.368 2.442 40 0 EEABRN CCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000242972008 485536040 /nfs/dbraw/zinc/53/60/40/485536040.db2.gz HNOCWHSJYQDVKL-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Br)cs1 ZINC000682610223 486516741 /nfs/dbraw/zinc/51/67/41/486516741.db2.gz IIPPIYAYSOMPNL-NMLBEHRDSA-N 0 0 343.246 2.237 40 0 EEABRN Cc1cc(O[C@H](C)C(=O)NCCN2CCOCC2)cc(C)c1Cl ZINC000408705986 534032408 /nfs/dbraw/zinc/03/24/08/534032408.db2.gz SCAXHGQKWUSYCV-CQSZACIVSA-N 0 0 340.851 2.173 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccc(F)cn1 ZINC000183935441 534327701 /nfs/dbraw/zinc/32/77/01/534327701.db2.gz FLWBWYJUPJMWKP-HNNXBMFYSA-N 0 0 343.358 2.070 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cc(C)cs2)n1 ZINC000257242123 534776418 /nfs/dbraw/zinc/77/64/18/534776418.db2.gz IBESVMSYIOPUTC-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000156606365 526402267 /nfs/dbraw/zinc/40/22/67/526402267.db2.gz YEOCTKLWAQEVLT-LJQANCHMSA-N 0 0 340.427 2.237 40 0 EEABRN O=C(CCNC(=O)c1cccc(-n2cccn2)c1)Nc1ccncc1 ZINC000096408406 526505430 /nfs/dbraw/zinc/50/54/30/526505430.db2.gz FCUIKRGCQWARTR-UHFFFAOYSA-N 0 0 335.367 2.026 40 0 EEABRN CC(C)COc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 ZINC000408708011 528155570 /nfs/dbraw/zinc/15/55/70/528155570.db2.gz FPWLYOWCESGLBT-UHFFFAOYSA-N 0 0 327.384 2.371 40 0 EEABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000408609488 529160078 /nfs/dbraw/zinc/16/00/78/529160078.db2.gz TVBXJFWWFUJHGS-ZDUSSCGKSA-N 0 0 342.461 2.011 40 0 EEABRN CCC(CC)n1ncc(C(=O)N2CCOC[C@@H]2c2ncon2)c1C ZINC000253426055 535176174 /nfs/dbraw/zinc/17/61/74/535176174.db2.gz MZXOONADSNJRNK-CQSZACIVSA-N 0 0 333.392 2.149 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)CCc2cc(Cl)no2)n1 ZINC000257221815 536421695 /nfs/dbraw/zinc/42/16/95/536421695.db2.gz DQQCKYYCDQTGDZ-LBPRGKRZSA-N 0 0 335.795 2.456 40 0 EEABRN COC(=O)[C@H](c1ccccc1C)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000253370749 536762148 /nfs/dbraw/zinc/76/21/48/536762148.db2.gz VMNYOTVYSQKHCI-HKUYNNGSSA-N 0 0 343.427 2.190 40 0 EEABRN CCc1nsc(N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 ZINC000895579074 684652939 /nfs/dbraw/zinc/65/29/39/684652939.db2.gz IVGXDFLHDCQKDP-UHFFFAOYSA-N 0 0 344.440 2.262 40 0 EEABRN Cn1ccnc1C(NC(=O)NC1(C)C(C)(C)C1(C)C)c1nccn1C ZINC000895964250 684789402 /nfs/dbraw/zinc/78/94/02/684789402.db2.gz VRIMDGLMJVGDSL-UHFFFAOYSA-N 0 0 344.463 2.367 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCO[C@H](c2ccnn2C)C1)C(F)(F)F ZINC000931039430 1206602138 /nfs/dbraw/zinc/60/21/38/1206602138.db2.gz PBSUKNNAYDOFOR-RYUDHWBXSA-N 0 0 334.342 2.090 40 0 EEABRN COc1ccc(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000006255022 1351778309 /nfs/dbraw/zinc/77/83/09/1351778309.db2.gz QXAQXWNOHQODBN-UHFFFAOYSA-N 0 0 333.413 2.343 40 0 EEABRN O=C(NC1CCCC1)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000199426675 1406142522 /nfs/dbraw/zinc/14/25/22/1406142522.db2.gz JTWOOQHHDOGEPK-QGZVFWFLSA-N 0 0 342.370 2.470 40 0 EEABRN CC(C)Cn1cccc(C(=O)N2Cc3ccccc3NC(=O)C2)c1=O ZINC000824323176 788125428 /nfs/dbraw/zinc/12/54/28/788125428.db2.gz QNZUGCOPQHBRRV-UHFFFAOYSA-N 0 0 339.395 2.099 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C)cc2)c1 ZINC000055413233 214321173 /nfs/dbraw/zinc/32/11/73/214321173.db2.gz BWIZOOQCHQUHOG-UHFFFAOYSA-N 0 0 349.408 2.139 40 0 EEABRN C[C@@H](Cc1ccsc1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000175089627 231382526 /nfs/dbraw/zinc/38/25/26/231382526.db2.gz NCWLRADGUJGNMB-LBPRGKRZSA-N 0 0 349.456 2.002 40 0 EEABRN CCC(CC)n1nc(C(=O)N2CCOC[C@H]2c2ncon2)cc1C ZINC000253425737 282293426 /nfs/dbraw/zinc/29/34/26/282293426.db2.gz HDICBHQILAKLFM-AWEZNQCLSA-N 0 0 333.392 2.149 40 0 EEABRN CC1=C(C(=O)OCc2ccccc2)[C@H](c2csnn2)NC(=S)N1 ZINC000067029166 215105569 /nfs/dbraw/zinc/10/55/69/215105569.db2.gz JRTUROACGHOOGB-ZDUSSCGKSA-N 0 0 346.437 2.074 40 0 EEABRN C[C@H]1COc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000072531798 290996103 /nfs/dbraw/zinc/99/61/03/290996103.db2.gz LAILFXQTAMQHHU-ZDUSSCGKSA-N 0 0 335.363 2.211 40 0 EEABRN C[C@H](NC(=O)c1ccco1)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000273131801 299250968 /nfs/dbraw/zinc/25/09/68/299250968.db2.gz ZZQQLJLUCDQQLU-OLZOCXBDSA-N 0 0 328.368 2.208 40 0 EEABRN COc1ccc([C@@H]2[C@@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072242116 216081455 /nfs/dbraw/zinc/08/14/55/216081455.db2.gz OCUZXJSNAONLLV-DOTOQJQBSA-N 0 0 348.468 2.180 40 0 EEABRN CC[S@](=O)CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000072284368 216114680 /nfs/dbraw/zinc/11/46/80/216114680.db2.gz QRZWOYWFFUSXQY-HXUWFJFHSA-N 0 0 347.355 2.300 40 0 EEABRN NN=c1[nH]c2ccccc2c(=O)n1-c1cccc(Br)c1 ZINC000015424544 283532816 /nfs/dbraw/zinc/53/28/16/283532816.db2.gz SXZBVTDTQFNGGV-UHFFFAOYSA-N 0 0 331.173 2.434 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)cc1C ZINC000000260705 209507155 /nfs/dbraw/zinc/50/71/55/209507155.db2.gz ZRTTTZSYDGNYMN-HOTGVXAUSA-N 0 0 334.416 2.470 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360292 216166531 /nfs/dbraw/zinc/16/65/31/216166531.db2.gz VCRBEUCZMGFEAS-GFCCVEGCSA-N 0 0 333.417 2.295 40 0 EEABRN C[C@@H]1CN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC[C@@H]1O ZINC000072340309 216158498 /nfs/dbraw/zinc/15/84/98/216158498.db2.gz MQWULOCVSPUDPJ-DOMZBBRYSA-N 0 0 337.383 2.401 40 0 EEABRN Cc1nc(CCC(N)=O)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072367114 216173734 /nfs/dbraw/zinc/17/37/34/216173734.db2.gz FUHBISJDGKTLKU-KRWDZBQOSA-N 0 0 338.411 2.180 40 0 EEABRN CS(=O)(=O)N1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377664 216179182 /nfs/dbraw/zinc/17/91/82/216179182.db2.gz NXRRUWCEMAKTOI-ZDUSSCGKSA-N 0 0 333.417 2.102 40 0 EEABRN CNc1cc([C@H]2CN(CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387842 216187752 /nfs/dbraw/zinc/18/77/52/216187752.db2.gz TUDKYVQJADXUPL-QGZVFWFLSA-N 0 0 328.416 2.279 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@H](Cc2cnccn2)C1 ZINC000072388277 216188350 /nfs/dbraw/zinc/18/83/50/216188350.db2.gz DOHCQXPXFUPSIH-QGZVFWFLSA-N 0 0 325.412 2.127 40 0 EEABRN Nn1c(=O)c(NCc2ccccc2)nnc1SCc1ccccc1 ZINC000028536162 212623708 /nfs/dbraw/zinc/62/37/08/212623708.db2.gz FJHCKFFGUDRMAQ-UHFFFAOYSA-N 0 0 339.424 2.257 40 0 EEABRN COC(=O)[C@@H](c1ccccc1F)N1CCN(Cc2cc(C)on2)CC1 ZINC000072557660 216274472 /nfs/dbraw/zinc/27/44/72/216274472.db2.gz MFDWYNZSSWEODR-QGZVFWFLSA-N 0 0 347.390 2.154 40 0 EEABRN O=C(OCCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O)c1ccccc1 ZINC000026504066 212523147 /nfs/dbraw/zinc/52/31/47/212523147.db2.gz UPXVKWYASZHNSR-UONOGXRCSA-N 0 0 333.771 2.361 40 0 EEABRN Cc1ccc2oc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)cc2n1 ZINC000073118507 216352528 /nfs/dbraw/zinc/35/25/28/216352528.db2.gz AKKCMOBYJXFPCI-GFCCVEGCSA-N 0 0 344.440 2.385 40 0 EEABRN Cc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O ZINC000022273564 212287408 /nfs/dbraw/zinc/28/74/08/212287408.db2.gz JPXSDHHIWKGCTD-UHFFFAOYSA-N 0 0 344.864 2.473 40 0 EEABRN OCCOc1cncc(N2CC=C(c3c(F)cccc3F)CC2)n1 ZINC000195571675 241019913 /nfs/dbraw/zinc/01/99/13/241019913.db2.gz BPRCORAJXUZMRM-UHFFFAOYSA-N 0 0 333.338 2.420 40 0 EEABRN COc1ccc(CN(C)C(=O)c2cnc3sccn3c2=O)cc1 ZINC000198707951 241038103 /nfs/dbraw/zinc/03/81/03/241038103.db2.gz OQXBPICODNFENE-UHFFFAOYSA-N 0 0 329.381 2.037 40 0 EEABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(N2C(=O)CCC2=O)C1 ZINC000217717056 241269988 /nfs/dbraw/zinc/26/99/88/241269988.db2.gz QBWRDBPYGMZPFH-UHFFFAOYSA-N 0 0 342.182 2.359 40 0 EEABRN O=C(Nc1ccnn1Cc1ccsc1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000075724040 216653806 /nfs/dbraw/zinc/65/38/06/216653806.db2.gz ABVRXUXEEPMEBT-CQSZACIVSA-N 0 0 344.440 2.190 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000225234493 241811646 /nfs/dbraw/zinc/81/16/46/241811646.db2.gz JQLMGCARDCORFO-LBPRGKRZSA-N 0 0 344.502 2.190 40 0 EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000225505181 241903094 /nfs/dbraw/zinc/90/30/94/241903094.db2.gz VZLPRYCOMOXUMQ-HUUCEWRRSA-N 0 0 330.432 2.269 40 0 EEABRN CC(C)COCCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225720607 242002123 /nfs/dbraw/zinc/00/21/23/242002123.db2.gz VCNBRTHDPMBBQP-IBGZPJMESA-N 0 0 345.487 2.082 40 0 EEABRN NC(=O)C1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 ZINC000225636521 241964556 /nfs/dbraw/zinc/96/45/56/241964556.db2.gz VBNNGVRLKILMEJ-UHFFFAOYSA-N 0 0 331.397 2.273 40 0 EEABRN CN(c1cc(C(=O)N2CCCCC2)ccc1Cl)S(C)(=O)=O ZINC000225974117 242084440 /nfs/dbraw/zinc/08/44/40/242084440.db2.gz BWCQZSZKCFDOEC-UHFFFAOYSA-N 0 0 330.837 2.362 40 0 EEABRN O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccoc1 ZINC000225724471 242004202 /nfs/dbraw/zinc/00/42/02/242004202.db2.gz NUAOUNBHEXUFCB-UHFFFAOYSA-N 0 0 340.305 2.487 40 0 EEABRN CC(C)(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000226060670 242086920 /nfs/dbraw/zinc/08/69/20/242086920.db2.gz KICXCMGUYWHLQU-UHFFFAOYSA-N 0 0 346.880 2.264 40 0 EEABRN O=C(c1ccco1)N1CCN(c2nnc(-c3ccccn3)s2)CC1 ZINC000239591432 242956321 /nfs/dbraw/zinc/95/63/21/242956321.db2.gz BBJLYQUFPFYGCZ-UHFFFAOYSA-N 0 0 341.396 2.156 40 0 EEABRN CC1=CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000241776763 243000477 /nfs/dbraw/zinc/00/04/77/243000477.db2.gz RSGBDCBPOWNWOA-INIZCTEOSA-N 0 0 348.468 2.266 40 0 EEABRN COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)cc1)CC2=O ZINC000020800629 212173351 /nfs/dbraw/zinc/17/33/51/212173351.db2.gz MAZMTCSIQAFWMG-LLVKDONJSA-N 0 0 327.336 2.083 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765531 212170364 /nfs/dbraw/zinc/17/03/64/212170364.db2.gz VGQSPLNYDWCZPU-UHFFFAOYSA-N 0 0 330.409 2.188 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1cccs1)C2 ZINC000248077480 243518714 /nfs/dbraw/zinc/51/87/14/243518714.db2.gz ZSONWOQTTXXYAB-HNNXBMFYSA-N 0 0 344.484 2.497 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(Cc4cnn(C)c4)C3)C2)cs1 ZINC000248116802 243529283 /nfs/dbraw/zinc/52/92/83/243529283.db2.gz IXJJBXXDMPNMKO-MRXNPFEDSA-N 0 0 348.472 2.135 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000253415968 243936375 /nfs/dbraw/zinc/93/63/75/243936375.db2.gz VADCWMCEFCLNSR-MSOLQXFVSA-N 0 0 340.427 2.282 40 0 EEABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCOCC1 ZINC000020492782 212139495 /nfs/dbraw/zinc/13/94/95/212139495.db2.gz KWCMYQBRYTYCTB-MRXNPFEDSA-N 0 0 340.851 2.336 40 0 EEABRN Cc1ocnc1C(=O)N1CCC[C@@H]1c1nc(C)ncc1CN(C)C ZINC000257206860 244135781 /nfs/dbraw/zinc/13/57/81/244135781.db2.gz BFEQGIBNWIVVKD-CQSZACIVSA-N 0 0 329.404 2.120 40 0 EEABRN COCC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257201315 244122617 /nfs/dbraw/zinc/12/26/17/244122617.db2.gz AHDGVDHOLNSOQG-SJORKVTESA-N 0 0 330.428 2.205 40 0 EEABRN O=C(c1cnc(C2CC2)nc1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257203882 244126394 /nfs/dbraw/zinc/12/63/94/244126394.db2.gz ASBCXLVWJCIARB-UHFFFAOYSA-N 0 0 348.410 2.417 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 ZINC000257206675 244137759 /nfs/dbraw/zinc/13/77/59/244137759.db2.gz BEMCSPTYBJRWOX-IEBWSBKVSA-N 0 0 326.396 2.435 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(Cc3csc(C)n3)CCN2C)c1 ZINC000257217654 244172918 /nfs/dbraw/zinc/17/29/18/244172918.db2.gz CZYPMEAQJWNGJX-QGZVFWFLSA-N 0 0 344.484 2.300 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218227 244174176 /nfs/dbraw/zinc/17/41/76/244174176.db2.gz DCIJAESNWBOGIC-GOSISDBHSA-N 0 0 343.427 2.038 40 0 EEABRN Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cn1 ZINC000257214679 244163376 /nfs/dbraw/zinc/16/33/76/244163376.db2.gz CNAGUQKNLKPQFY-KZNAEPCWSA-N 0 0 341.411 2.218 40 0 EEABRN CC(=O)N1CCCN(C(=O)c2ccnc(-c3scnc3C)c2)CC1 ZINC000257225764 244197575 /nfs/dbraw/zinc/19/75/75/244197575.db2.gz FHRXKGCRZWTBSG-UHFFFAOYSA-N 0 0 344.440 2.208 40 0 EEABRN CN(CC(=O)N1CCN(C)[C@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229946 244209157 /nfs/dbraw/zinc/20/91/57/244209157.db2.gz GACNECHNCLHQCL-IBGZPJMESA-N 0 0 338.455 2.029 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257234714 244223551 /nfs/dbraw/zinc/22/35/51/244223551.db2.gz GUVHYQUFLIJLJQ-MRXNPFEDSA-N 0 0 344.415 2.231 40 0 EEABRN Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)s1 ZINC000257234925 244226558 /nfs/dbraw/zinc/22/65/58/244226558.db2.gz GVQJCFKBNHUSRB-ZIAGYGMSSA-N 0 0 336.388 2.163 40 0 EEABRN C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NCCO)ccc2O1 ZINC000257241907 244245114 /nfs/dbraw/zinc/24/51/14/244245114.db2.gz IAEVVWYWLKKZOL-IBGZPJMESA-N 0 0 329.371 2.484 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cccnc3)CC2)cn1 ZINC000257273313 244386485 /nfs/dbraw/zinc/38/64/85/244386485.db2.gz NGBSERGVCIXEIK-CQSZACIVSA-N 0 0 325.416 2.398 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276003 244392744 /nfs/dbraw/zinc/39/27/44/244392744.db2.gz NRYSLJWWQXANNS-SFHVURJKSA-N 0 0 341.459 2.040 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cc(F)ccc2C)CC[C@@]12CCCO2 ZINC000257277096 244394188 /nfs/dbraw/zinc/39/41/88/244394188.db2.gz NWJMCZZZILQDCB-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000257277931 244397242 /nfs/dbraw/zinc/39/72/42/244397242.db2.gz OABOBMYSYVFNJR-AWEZNQCLSA-N 0 0 346.456 2.162 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)c4ocnc4C)CC3)n2n1 ZINC000257291821 244438224 /nfs/dbraw/zinc/43/82/24/244438224.db2.gz QITHDUITIOCYSN-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)ncc1C(N)=O ZINC000019754825 212062564 /nfs/dbraw/zinc/06/25/64/212062564.db2.gz PBMUHJBZUABRNA-CQSZACIVSA-N 0 0 330.432 2.170 40 0 EEABRN O=C(c1ccc2nsnc2c1)N1CC(C(=O)N2CCCCCC2)C1 ZINC000019747481 212061516 /nfs/dbraw/zinc/06/15/16/212061516.db2.gz LNCYNKMFZQPGAR-UHFFFAOYSA-N 0 0 344.440 2.166 40 0 EEABRN CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706149 212055881 /nfs/dbraw/zinc/05/58/81/212055881.db2.gz YHTIFZLTPHPIBV-INIZCTEOSA-N 0 0 345.491 2.400 40 0 EEABRN COc1ccc(N2C[C@@H](C(=O)N(C)CC(F)(F)F)CC2=O)cc1 ZINC000019585938 212047636 /nfs/dbraw/zinc/04/76/36/212047636.db2.gz DXHXDADHSBTRSF-JTQLQIEISA-N 0 0 330.306 2.069 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000077929947 217000584 /nfs/dbraw/zinc/00/05/84/217000584.db2.gz UXCSMVIQSLSAJY-MRXNPFEDSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000019400026 212025840 /nfs/dbraw/zinc/02/58/40/212025840.db2.gz WTMFUFSJBXIJGO-INIZCTEOSA-N 0 0 347.378 2.204 40 0 EEABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1F ZINC000019144759 212001351 /nfs/dbraw/zinc/00/13/51/212001351.db2.gz AEOQRVPFPFIQBA-UHFFFAOYSA-N 0 0 345.765 2.449 40 0 EEABRN O=C(CC1(C(=O)N2CCc3ccccc32)CCCC1)N1CCOCC1 ZINC000078356718 217044287 /nfs/dbraw/zinc/04/42/87/217044287.db2.gz PVKUWVISVBYOHO-UHFFFAOYSA-N 0 0 342.439 2.385 40 0 EEABRN CN(CC(F)(F)F)C(=O)[C@H](Cc1ccccc1)N1CCCOC1=O ZINC000078418906 217050125 /nfs/dbraw/zinc/05/01/25/217050125.db2.gz RPUSVUGCBLPCDY-ZDUSSCGKSA-N 0 0 344.333 2.461 40 0 EEABRN CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000078572007 217079906 /nfs/dbraw/zinc/07/99/06/217079906.db2.gz ZOTHXWQWFAZLLB-UHFFFAOYSA-N 0 0 346.452 2.499 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000078611157 217086494 /nfs/dbraw/zinc/08/64/94/217086494.db2.gz XUISMSPBARMLOR-GFCCVEGCSA-N 0 0 344.408 2.113 40 0 EEABRN CC(C)COc1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CCC2)cc1 ZINC000078771879 217117843 /nfs/dbraw/zinc/11/78/43/217117843.db2.gz IZULEWKKOWBDOE-OAHLLOKOSA-N 0 0 344.455 2.477 40 0 EEABRN O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917067 217147132 /nfs/dbraw/zinc/14/71/32/217147132.db2.gz SEZKBDDMJMBLGI-LBPRGKRZSA-N 0 0 332.354 2.149 40 0 EEABRN COC(=O)[C@H]1CCCCN1C(=O)CCn1c(C)nc2ccccc21 ZINC000132991957 284320556 /nfs/dbraw/zinc/32/05/56/284320556.db2.gz YMSHFVAQULBBGM-MRXNPFEDSA-N 0 0 329.400 2.289 40 0 EEABRN COc1cc(CNC(=O)Cc2ccc(Cl)nc2)cc(OC)c1O ZINC000078927756 217150119 /nfs/dbraw/zinc/15/01/19/217150119.db2.gz RIRHXGKLFCRIFK-UHFFFAOYSA-N 0 0 336.775 2.317 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000078986075 217165098 /nfs/dbraw/zinc/16/50/98/217165098.db2.gz KXDSOFAFMUGVEP-JQWIXIFHSA-N 0 0 333.344 2.270 40 0 EEABRN CC(C)COC(=O)N1CCN(c2nccc3c2C(=O)OC3(C)C)CC1 ZINC000079002478 217172460 /nfs/dbraw/zinc/17/24/60/217172460.db2.gz YMELFOJACKKQBA-UHFFFAOYSA-N 0 0 347.415 2.402 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C(=O)CCc1cccc(F)c1)C1CC1 ZINC000079093929 217190811 /nfs/dbraw/zinc/19/08/11/217190811.db2.gz BJCSXWSVDZYDHT-GFCCVEGCSA-N 0 0 327.421 2.182 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)CCn3ccccc3=O)c2c1 ZINC000079051177 217183158 /nfs/dbraw/zinc/18/31/58/217183158.db2.gz CBYQWZVQFIHKES-UHFFFAOYSA-N 0 0 339.395 2.087 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1nc(Cl)ccc1Cl ZINC000079051894 217183525 /nfs/dbraw/zinc/18/35/25/217183525.db2.gz VSRUUWLAAOZOGY-UHFFFAOYSA-N 0 0 339.244 2.332 40 0 EEABRN O=C(Nc1cccc(-n2cnnc2)c1)c1cc2c([nH]c1=O)CCCCC2 ZINC000012118295 284348043 /nfs/dbraw/zinc/34/80/43/284348043.db2.gz PVVUXPVSUHTJQK-UHFFFAOYSA-N 0 0 349.394 2.477 40 0 EEABRN Cc1nnc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)[nH]1 ZINC000080630947 217320730 /nfs/dbraw/zinc/32/07/30/217320730.db2.gz KJTLLTWKBOICQR-GFCCVEGCSA-N 0 0 328.825 2.442 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000080716318 217327051 /nfs/dbraw/zinc/32/70/51/217327051.db2.gz JKQJLMGGANTLFK-UHFFFAOYSA-N 0 0 330.413 2.459 40 0 EEABRN CCn1cnc(S(=O)(=O)N2CCC[C@H](COc3ccccc3)C2)c1 ZINC000080758243 217329879 /nfs/dbraw/zinc/32/98/79/217329879.db2.gz QVOKRJFOWVONGY-HNNXBMFYSA-N 0 0 349.456 2.383 40 0 EEABRN O=S(=O)(N[C@H]1CCCC[C@H]1n1cccn1)c1c[nH]c2ncccc12 ZINC000081187140 217369122 /nfs/dbraw/zinc/36/91/22/217369122.db2.gz HCUSBQXRFRZYKQ-UONOGXRCSA-N 0 0 345.428 2.222 40 0 EEABRN Cc1cc(CCC(=O)N2CCS(=O)CC2)ccc1Br ZINC000081748776 217441181 /nfs/dbraw/zinc/44/11/81/217441181.db2.gz WQWNBCWTEFMTMT-UHFFFAOYSA-N 0 0 344.274 2.281 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC1CCCC1 ZINC000084589026 217617949 /nfs/dbraw/zinc/61/79/49/217617949.db2.gz IMQBNZKGUDMURJ-UHFFFAOYSA-N 0 0 328.434 2.101 40 0 EEABRN Cc1c(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cnn1-c1ccccc1 ZINC000086062494 217688183 /nfs/dbraw/zinc/68/81/83/217688183.db2.gz ZGPDCQAFMQALKB-CQSZACIVSA-N 0 0 339.395 2.348 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000013672839 211603587 /nfs/dbraw/zinc/60/35/87/211603587.db2.gz PPALZVKRGDIERM-LSDHHAIUSA-N 0 0 338.473 2.408 40 0 EEABRN CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000013581311 211585335 /nfs/dbraw/zinc/58/53/35/211585335.db2.gz DOPSFORQIMVVGL-GFCCVEGCSA-N 0 0 342.461 2.254 40 0 EEABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)C1CC1 ZINC000012276239 211333881 /nfs/dbraw/zinc/33/38/81/211333881.db2.gz DTJDEUCNOAPGJS-OAHLLOKOSA-N 0 0 341.411 2.224 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1ccncc1 ZINC000012223115 211323439 /nfs/dbraw/zinc/32/34/39/211323439.db2.gz JCPDILCTCDOIMF-ZBFHGGJFSA-N 0 0 333.395 2.264 40 0 EEABRN CCn1cc(C(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000012157219 211309147 /nfs/dbraw/zinc/30/91/47/211309147.db2.gz FJOCFEKNPBZFBW-CVEARBPZSA-N 0 0 345.374 2.071 40 0 EEABRN COc1cccc([C@H](NC(=O)N2CCCC2)c2nccn2C)c1OC ZINC000012114966 211293737 /nfs/dbraw/zinc/29/37/37/211293737.db2.gz JJVGUTYEXGCFLJ-HNNXBMFYSA-N 0 0 344.415 2.332 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)Nc2cccc(F)c2)c1=O ZINC000012146592 211306132 /nfs/dbraw/zinc/30/61/32/211306132.db2.gz MGSAXGWNTXNAKX-UHFFFAOYSA-N 0 0 344.371 2.332 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000012146723 211306229 /nfs/dbraw/zinc/30/62/29/211306229.db2.gz GPFRBIOSLPTCFE-VXGBXAGGSA-N 0 0 346.456 2.344 40 0 EEABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1cccs1 ZINC000012084770 211288662 /nfs/dbraw/zinc/28/86/62/211288662.db2.gz DYZUIWFRFJJMGP-GFCCVEGCSA-N 0 0 331.441 2.392 40 0 EEABRN O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)CCc1ccccc1 ZINC000092353810 218135742 /nfs/dbraw/zinc/13/57/42/218135742.db2.gz XKAFNOFSLDJZGB-UHFFFAOYSA-N 0 0 346.330 2.378 40 0 EEABRN CC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000010010065 211141148 /nfs/dbraw/zinc/14/11/48/211141148.db2.gz ONJODJNXHRTYNB-UHFFFAOYSA-N 0 0 342.486 2.088 40 0 EEABRN O=C([O-])c1c2c(cnc1-c1ccncc1)C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096189253 304217765 /nfs/dbraw/zinc/21/77/65/304217765.db2.gz ZTBQCLIWABOUCS-CYBMUJFWSA-N 0 0 339.395 2.236 40 0 EEABRN O=C(NCCO)c1ccccc1NCc1nnc(-c2cccs2)o1 ZINC000095426052 218368561 /nfs/dbraw/zinc/36/85/61/218368561.db2.gz AKUJUILSUBPGAO-UHFFFAOYSA-N 0 0 344.396 2.132 40 0 EEABRN O=C(CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1)NC[C@@H]1CCCO1 ZINC000095431933 218375098 /nfs/dbraw/zinc/37/50/98/218375098.db2.gz LGYNHBGNMILSLI-CABCVRRESA-N 0 0 342.443 2.038 40 0 EEABRN O=C1CCC(=O)N1CCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000095434292 218376920 /nfs/dbraw/zinc/37/69/20/218376920.db2.gz KBJLNNOVGUZHPP-CYBMUJFWSA-N 0 0 336.819 2.332 40 0 EEABRN Cc1ccc([C@@H]2CCCN2C(=O)c2coc(S(N)(=O)=O)c2)s1 ZINC000095449698 218393686 /nfs/dbraw/zinc/39/36/86/218393686.db2.gz YDSPOMSMXPABPX-NSHDSACASA-N 0 0 340.426 2.274 40 0 EEABRN Cc1sc(C(=O)Nc2ccc(O)cc2)cc1S(=O)(=O)N(C)C ZINC000006679459 210678053 /nfs/dbraw/zinc/67/80/53/210678053.db2.gz YMJPXULEXDPQBM-UHFFFAOYSA-N 0 0 340.426 2.265 40 0 EEABRN CC[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccc(OC)c3)CC[C@H]21 ZINC000096206900 218681051 /nfs/dbraw/zinc/68/10/51/218681051.db2.gz OLSQSXOAHIAUJH-WQVCFCJDSA-N 0 0 325.430 2.131 40 0 EEABRN NC(=O)c1cccc(CSCCS(=O)(=O)c2ccccc2)c1 ZINC000096403293 218751242 /nfs/dbraw/zinc/75/12/42/218751242.db2.gz BSYFPNFMKUNGAL-UHFFFAOYSA-N 0 0 335.450 2.493 40 0 EEABRN CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000096410448 218764445 /nfs/dbraw/zinc/76/44/45/218764445.db2.gz BMBXZWZYEBVXQD-OAHLLOKOSA-N 0 0 327.388 2.023 40 0 EEABRN CCN1C[C@H](COC(=O)c2cccc(Br)c2)CC1=O ZINC000096416236 218776337 /nfs/dbraw/zinc/77/63/37/218776337.db2.gz LUCJOQYPPROFFL-SNVBAGLBSA-N 0 0 326.190 2.474 40 0 EEABRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N[C@@H](C)C(C)C ZINC000096430521 218804277 /nfs/dbraw/zinc/80/42/77/218804277.db2.gz NQGMNGUCQHLTMU-QWHCGFSZSA-N 0 0 341.477 2.140 40 0 EEABRN CC(C)C[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000096434626 218812112 /nfs/dbraw/zinc/81/21/12/218812112.db2.gz CBTHROZRJKIWGF-CYBMUJFWSA-N 0 0 333.388 2.410 40 0 EEABRN O=C(CC1(O)CCCC1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000096444685 218826206 /nfs/dbraw/zinc/82/62/06/218826206.db2.gz PLYTUJYMNOQZMH-MRXNPFEDSA-N 0 0 330.428 2.103 40 0 EEABRN COC(=O)N1CC[C@H](NC(=O)c2c(F)cccc2Br)C1 ZINC000096454404 218838420 /nfs/dbraw/zinc/83/84/20/218838420.db2.gz SNZMAIRSLIEGDS-QMMMGPOBSA-N 0 0 345.168 2.159 40 0 EEABRN CCOC(=O)COc1cccc([C@H]2NC(=O)c3ccccc3O2)c1 ZINC000004997928 210353887 /nfs/dbraw/zinc/35/38/87/210353887.db2.gz WFYCUFLTDYSGCI-SFHVURJKSA-N 0 0 327.336 2.450 40 0 EEABRN O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)NC1CCCC1 ZINC000004968135 210343347 /nfs/dbraw/zinc/34/33/47/210343347.db2.gz XKUQITLSAWDKGU-UHFFFAOYSA-N 0 0 343.456 2.302 40 0 EEABRN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)cc1)CC(=O)N2 ZINC000004944437 210336751 /nfs/dbraw/zinc/33/67/51/210336751.db2.gz ARHSTJJMNJWMNM-NSHDSACASA-N 0 0 331.397 2.452 40 0 EEABRN CCCCn1nnnc1SCC(=O)c1cc(OC)ccc1OC ZINC000004883010 210311991 /nfs/dbraw/zinc/31/19/91/210311991.db2.gz XWHAMIZVBMWXNR-UHFFFAOYSA-N 0 0 336.417 2.465 40 0 EEABRN Cc1ccccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000004852526 210299985 /nfs/dbraw/zinc/29/99/85/210299985.db2.gz MRKOJOLFGJXOEV-UHFFFAOYSA-N 0 0 346.452 2.120 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)NCc1ccnn1C ZINC000097379263 219019652 /nfs/dbraw/zinc/01/96/52/219019652.db2.gz YYQDDOOGJMFPRQ-AWEZNQCLSA-N 0 0 328.416 2.348 40 0 EEABRN Cc1noc(CCNC(=O)Nc2ccc(Br)c(C)n2)n1 ZINC000097379631 219020345 /nfs/dbraw/zinc/02/03/45/219020345.db2.gz CJHUILMVKYHLNQ-UHFFFAOYSA-N 0 0 340.181 2.208 40 0 EEABRN COc1cc(S(=O)(=O)NCc2nccn2CC(C)C)ccc1F ZINC000190826636 533100636 /nfs/dbraw/zinc/10/06/36/533100636.db2.gz YRLZLELSWBKCSE-UHFFFAOYSA-N 0 0 341.408 2.165 40 0 EEABRN COCCN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O ZINC000409132960 257877884 /nfs/dbraw/zinc/87/78/84/257877884.db2.gz YUDGIZUSMZQHSN-XYOKQWHBSA-N 0 0 339.369 2.092 40 0 EEABRN COc1cccc([C@]2(O)CC(C)=NN2C(=O)[C@H](O)c2ccccc2)c1 ZINC000408562796 257896780 /nfs/dbraw/zinc/89/67/80/257896780.db2.gz CKYAUFLFIKPPPE-IEBWSBKVSA-N 0 0 340.379 2.182 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000245316814 258000239 /nfs/dbraw/zinc/00/02/39/258000239.db2.gz KPJMPVNWSZCBOQ-APIJFGDWSA-N 0 0 328.478 2.174 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)c1ccsc1 ZINC000096473487 533283619 /nfs/dbraw/zinc/28/36/19/533283619.db2.gz CFQXNAIIXZRJRI-AAEUAGOBSA-N 0 0 349.460 2.424 40 0 EEABRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000056997253 132198331 /nfs/dbraw/zinc/19/83/31/132198331.db2.gz BSFVYHLDEBKKLR-UHFFFAOYSA-N 0 0 333.432 2.439 40 0 EEABRN COCC(=O)N1[C@@H]2CC[C@H]1Cc1c2cnc2cc(C(C)(C)C)nn21 ZINC000019084273 292179066 /nfs/dbraw/zinc/17/90/66/292179066.db2.gz QKRXEEYSQBSRJP-WCQYABFASA-N 0 0 328.416 2.261 40 0 EEABRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)CCc4nc5ccccc5[nH]4)[C@H]1[C@H]3C2 ZINC000288222346 160483976 /nfs/dbraw/zinc/48/39/76/160483976.db2.gz CXCMGRPIVNSDGI-YMJGMLMDSA-N 0 0 325.412 2.377 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000113966931 286778909 /nfs/dbraw/zinc/77/89/09/286778909.db2.gz AXKBLUHJIUSKPQ-CQSZACIVSA-N 0 0 326.462 2.456 40 0 EEABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000248382200 160342621 /nfs/dbraw/zinc/34/26/21/160342621.db2.gz WETXLBIHLPAQAT-ZDUSSCGKSA-N 0 0 348.424 2.391 40 0 EEABRN C[C@@H](NC(=O)c1ccco1)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000273131800 287002725 /nfs/dbraw/zinc/00/27/25/287002725.db2.gz ZZQQLJLUCDQQLU-CHWSQXEVSA-N 0 0 328.368 2.208 40 0 EEABRN COCCC(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255299 277202248 /nfs/dbraw/zinc/20/22/48/277202248.db2.gz VFVGCCGPNGZYFD-UHFFFAOYSA-N 0 0 329.375 2.246 40 0 EEABRN CC(C)n1nnnc1-c1ccc(NC(=O)[C@@H]2OCC[C@@H]2C)cc1F ZINC000096501732 278154437 /nfs/dbraw/zinc/15/44/37/278154437.db2.gz WSTZQRXYNOTXPU-IINYFYTJSA-N 0 0 333.367 2.424 40 0 EEABRN O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)Nc1ccccc1 ZINC000096500494 279762839 /nfs/dbraw/zinc/76/28/39/279762839.db2.gz XJFADDGZRTWYMG-HXUWFJFHSA-N 0 0 334.375 2.268 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1C[C@H](C)N(CCOC)[C@@H](C)C1 ZINC000195576249 280034577 /nfs/dbraw/zinc/03/45/77/280034577.db2.gz HUZFOVAWLIRICN-GJZGRUSLSA-N 0 0 340.489 2.026 40 0 EEABRN O=C(c1c[nH]cn1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096239627 280158403 /nfs/dbraw/zinc/15/84/03/280158403.db2.gz HFUDEGTYXFWYSA-INIZCTEOSA-N 0 0 347.369 2.183 40 0 EEABRN Cc1cc2c(cc1Br)C(=O)[C@@](CN(C)C)(N(C)C)CO2 ZINC000019203070 280671800 /nfs/dbraw/zinc/67/18/00/280671800.db2.gz DOOSBXKIUWHHJZ-HNNXBMFYSA-N 0 0 341.249 2.195 40 0 EEABRN Cc1n(C)c2ccc(C(F)(F)F)cc2[n+]1CCCS(=O)(=O)[O-] ZINC000002584589 293088919 /nfs/dbraw/zinc/08/89/19/293088919.db2.gz TTXYBYYCMISBGU-UHFFFAOYSA-O 0 0 337.343 2.071 40 0 EEABRN Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)cn1 ZINC000072241834 294264045 /nfs/dbraw/zinc/26/40/45/294264045.db2.gz PQAORPCRDMSLJR-ZBFHGGJFSA-N 0 0 330.363 2.107 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 ZINC000257224833 295104972 /nfs/dbraw/zinc/10/49/72/295104972.db2.gz FDPZIVLYWNWMDT-HNNXBMFYSA-N 0 0 329.400 2.178 40 0 EEABRN C[C@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@@H]1c1cccs1)C1CC1 ZINC000072800418 298250234 /nfs/dbraw/zinc/25/02/34/298250234.db2.gz APHQVWLQIDGXIG-PXAZEXFGSA-N 0 0 347.484 2.011 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)N1c3ccccc3C[C@H]1C)CS2 ZINC000085473685 302377242 /nfs/dbraw/zinc/37/72/42/302377242.db2.gz LDACMVOCEGEXKQ-TZMCWYRMSA-N 0 0 341.436 2.251 40 0 EEABRN Cc1nnc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000096500944 302811372 /nfs/dbraw/zinc/81/13/72/302811372.db2.gz MOLZJWRMIIYZNN-CYBMUJFWSA-N 0 0 340.305 2.070 40 0 EEABRN C[C@@H]1CN(Cc2ccc(C(=O)N(C)c3ncccn3)cc2)C[C@H](C)O1 ZINC000332547309 312023366 /nfs/dbraw/zinc/02/33/66/312023366.db2.gz NTMKJRZFTWPVMJ-GASCZTMLSA-N 0 0 340.427 2.362 40 0 EEABRN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000097372754 323322556 /nfs/dbraw/zinc/32/25/56/323322556.db2.gz IOZMNEIBHLRQGE-CYBMUJFWSA-N 0 0 349.394 2.378 40 0 EEABRN C[C@@H]1OCC[C@@H]1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000195559591 323514426 /nfs/dbraw/zinc/51/44/26/323514426.db2.gz LBFVENBGHWQFSK-FZMZJTMJSA-N 0 0 333.363 2.350 40 0 EEABRN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(=O)OC)cc1F ZINC000390833323 323545322 /nfs/dbraw/zinc/54/53/22/323545322.db2.gz GBAGBKGVXQYUMX-CQSZACIVSA-N 0 0 337.347 2.170 40 0 EEABRN Cc1ccccc1C(=O)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000085473321 462550651 /nfs/dbraw/zinc/55/06/51/462550651.db2.gz CQKLRAICHJMBGJ-INIZCTEOSA-N 0 0 334.485 2.275 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)s1 ZINC000085559376 462552276 /nfs/dbraw/zinc/55/22/76/462552276.db2.gz VCIQAVDPYTUVCG-CYBMUJFWSA-N 0 0 339.438 2.003 40 0 EEABRN O=C(NCc1cccc(F)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000045362099 462580098 /nfs/dbraw/zinc/58/00/98/462580098.db2.gz YWGXUVWQFNAMHJ-UHFFFAOYSA-N 0 0 326.327 2.409 40 0 EEABRN CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccc2)CC1 ZINC000001635185 462584703 /nfs/dbraw/zinc/58/47/03/462584703.db2.gz COTRWEKTJLXBKS-UHFFFAOYSA-N 0 0 329.425 2.459 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000003073537 462610463 /nfs/dbraw/zinc/61/04/63/462610463.db2.gz JQFWDQFKAFTEAZ-UHFFFAOYSA-N 0 0 328.368 2.137 40 0 EEABRN COc1ccc(CC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000003436460 462618214 /nfs/dbraw/zinc/61/82/14/462618214.db2.gz WGFUKCKLPIVKPW-UHFFFAOYSA-N 0 0 329.352 2.428 40 0 EEABRN CCN(CC)C(=O)CCc1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000088336237 462623427 /nfs/dbraw/zinc/62/34/27/462623427.db2.gz OUCLOYSAQNNVBH-UHFFFAOYSA-N 0 0 342.403 2.197 40 0 EEABRN CCc1noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000088390733 462626881 /nfs/dbraw/zinc/62/68/81/462626881.db2.gz WUESTWOYFZQHJF-ZDUSSCGKSA-N 0 0 347.419 2.497 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](C)(O)c1ccco1 ZINC000075156330 462687846 /nfs/dbraw/zinc/68/78/46/462687846.db2.gz OQAXIYIFGUIKDV-MRXNPFEDSA-N 0 0 339.413 2.091 40 0 EEABRN Cc1noc(C)c1CC(=O)Nc1cc(N2CCC(C)CC2)ncn1 ZINC000075166352 462690860 /nfs/dbraw/zinc/69/08/60/462690860.db2.gz ABNLBWMTUCQAAS-UHFFFAOYSA-N 0 0 329.404 2.499 40 0 EEABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CSCCC(=O)N1 ZINC000075171275 462691010 /nfs/dbraw/zinc/69/10/10/462691010.db2.gz CXUKMHXBBPWNGK-SNVBAGLBSA-N 0 0 336.310 2.405 40 0 EEABRN Cc1sc(C(=O)Nc2nccs2)cc1S(=O)(=O)N(C)C ZINC000006679409 462695598 /nfs/dbraw/zinc/69/55/98/462695598.db2.gz YOAJNEUCWIUUND-UHFFFAOYSA-N 0 0 331.444 2.016 40 0 EEABRN COC(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)NC1=S ZINC000008092005 462766297 /nfs/dbraw/zinc/76/62/97/462766297.db2.gz ZPLDCQXABRMPBH-WMZJFQQLSA-N 0 0 345.207 2.224 40 0 EEABRN CNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000008267328 462776186 /nfs/dbraw/zinc/77/61/86/462776186.db2.gz RBWJYRUGSRVIOT-CQSZACIVSA-N 0 0 346.452 2.405 40 0 EEABRN CCn1c(CNC(=O)C=Cc2ccc(OC)c(OC)c2)n[nH]c1=S ZINC000010041233 462812035 /nfs/dbraw/zinc/81/20/35/462812035.db2.gz RUAZFODJZWQVBX-SOFGYWHQSA-N 0 0 348.428 2.307 40 0 EEABRN O=C(N[C@@H]1CN(OCc2ccccc2)C1=O)OCc1ccccc1 ZINC000065734755 462821638 /nfs/dbraw/zinc/82/16/38/462821638.db2.gz BOQJARCVFUIRKV-MRXNPFEDSA-N 0 0 326.352 2.255 40 0 in-vitro EEABRN C[C@@H]1CCCCN1C(=O)CN1c2ccccc2C2=NCCN2C1=O ZINC000012182975 462847446 /nfs/dbraw/zinc/84/74/46/462847446.db2.gz RQDKZCUYIUSPAK-CYBMUJFWSA-N 0 0 326.400 2.090 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)NC(C(C)C)C(C)C)ccc1OC ZINC000013678981 462900011 /nfs/dbraw/zinc/90/00/11/462900011.db2.gz LJLWKAIJIKDPCR-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN CNc1snc(C)c1C(=O)N1CCN([C@H](C)c2ccccn2)CC1 ZINC000155736431 462935857 /nfs/dbraw/zinc/93/58/57/462935857.db2.gz XQVVBAZWLQLNMN-CYBMUJFWSA-N 0 0 345.472 2.407 40 0 EEABRN C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000048940568 462945291 /nfs/dbraw/zinc/94/52/91/462945291.db2.gz VNXZNBUDDPLIJH-CABZTGNLSA-N 0 0 340.221 2.169 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000049026586 462949465 /nfs/dbraw/zinc/94/94/65/462949465.db2.gz LVOUSTJKUUOPDW-LSDHHAIUSA-N 0 0 341.411 2.032 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccccc2)cc1 ZINC000017334276 462999135 /nfs/dbraw/zinc/99/91/35/462999135.db2.gz DOQBJVYFZWWUEC-UHFFFAOYSA-N 0 0 346.452 2.186 40 0 EEABRN O=C(NCCOc1ccc(F)cc1)c1cnc(N2CCCCC2)nc1 ZINC000019335983 463018038 /nfs/dbraw/zinc/01/80/38/463018038.db2.gz AKAIYPZGXGSQJT-UHFFFAOYSA-N 0 0 344.390 2.415 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCc2c(C)cc(C)cc2C)ccc1=O ZINC000077741249 463034465 /nfs/dbraw/zinc/03/44/65/463034465.db2.gz HMBVHMVNKDAHBF-UHFFFAOYSA-N 0 0 341.411 2.048 40 0 EEABRN CS(=O)(=O)Cc1ccc(C(=O)OCCc2ccccc2F)o1 ZINC000078715059 463142448 /nfs/dbraw/zinc/14/24/48/463142448.db2.gz WWWSMOHZQGZQIN-UHFFFAOYSA-N 0 0 326.345 2.363 40 0 EEABRN CCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096039381 463143837 /nfs/dbraw/zinc/14/38/37/463143837.db2.gz AVCIAQVXNXAGOR-DLBZAZTESA-N 0 0 339.457 2.283 40 0 EEABRN c1cncc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041788 463146798 /nfs/dbraw/zinc/14/67/98/463146798.db2.gz KTHQSUPJRUFUFT-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096054354 463156977 /nfs/dbraw/zinc/15/69/77/463156977.db2.gz XVUOMXNODDDUEY-SJORKVTESA-N 0 0 333.457 2.438 40 0 EEABRN Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4cccc(C)n4)C[C@H]3O2)n1 ZINC000096058205 463159711 /nfs/dbraw/zinc/15/97/11/463159711.db2.gz JYPJNRPJPBRZQZ-NWANDNLSSA-N 0 0 328.372 2.074 40 0 EEABRN Cc1cccc(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)n1 ZINC000096059760 463160132 /nfs/dbraw/zinc/16/01/32/463160132.db2.gz HEMDEUIHQCZOFQ-MRXNPFEDSA-N 0 0 326.400 2.040 40 0 EEABRN Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)c1 ZINC000096072582 463166925 /nfs/dbraw/zinc/16/69/25/463166925.db2.gz FOIMUPTXZUGUEJ-CRAIPNDOSA-N 0 0 326.400 2.204 40 0 EEABRN CSc1ccc([C@@H](O)CNS(=O)(=O)c2c(C)noc2C)cc1 ZINC000096103190 463173754 /nfs/dbraw/zinc/17/37/54/463173754.db2.gz CZKWRXJPRWVDKG-ZDUSSCGKSA-N 0 0 342.442 2.025 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC000096108079 463175175 /nfs/dbraw/zinc/17/51/75/463175175.db2.gz XCAVFJFWQMCLEG-ZIAGYGMSSA-N 0 0 349.481 2.178 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC000096107345 463175365 /nfs/dbraw/zinc/17/53/65/463175365.db2.gz XBJHDCXMDLJKCI-AEFFLSMTSA-N 0 0 343.383 2.050 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CC3)C2)cc(C)n1 ZINC000096108755 463176575 /nfs/dbraw/zinc/17/65/75/463176575.db2.gz HYSMHHPWRKSXRC-IEBWSBKVSA-N 0 0 330.428 2.214 40 0 EEABRN O=C(c1ccccn1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096110425 463178477 /nfs/dbraw/zinc/17/84/77/463178477.db2.gz GHOCBHODAKRNJL-APWZRJJASA-N 0 0 339.395 2.177 40 0 EEABRN CCc1nc([C@@H]2CCCN(C(=O)CNc3ccccc3OC)C2)no1 ZINC000079046699 463182804 /nfs/dbraw/zinc/18/28/04/463182804.db2.gz DEJHYPCJWYDDSW-CYBMUJFWSA-N 0 0 344.415 2.459 40 0 EEABRN Cc1cccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)n1 ZINC000096160341 463190459 /nfs/dbraw/zinc/19/04/59/463190459.db2.gz FOUPCEYZMWPNOB-RTBURBONSA-N 0 0 342.443 2.037 40 0 EEABRN COCc1cncc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096189292 463200061 /nfs/dbraw/zinc/20/00/61/463200061.db2.gz YUHOZFDYQBOOQQ-UHFFFAOYSA-N 0 0 326.396 2.364 40 0 EEABRN CN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccoc1)CC2 ZINC000096199497 463204282 /nfs/dbraw/zinc/20/42/82/463204282.db2.gz FXFPHMOWNISVLV-INIZCTEOSA-N 0 0 339.395 2.295 40 0 EEABRN O=C(c1ccsc1)N1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC000096199551 463204891 /nfs/dbraw/zinc/20/48/91/463204891.db2.gz OHEZTUXGGOTXEJ-HNNXBMFYSA-N 0 0 341.436 2.422 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000096219029 463216619 /nfs/dbraw/zinc/21/66/19/463216619.db2.gz XDVZZGXLKVDTML-QAPCUYQASA-N 0 0 327.384 2.469 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[C@H](CNc1ncccn1)O2 ZINC000096219423 463216824 /nfs/dbraw/zinc/21/68/24/463216824.db2.gz AZWLPOXWYNMVTH-CRAIPNDOSA-N 0 0 342.399 2.336 40 0 EEABRN CC(C)Nc1ncnc2c1CCN(C(=O)NCc1cccnc1)CC2 ZINC000096255525 463228683 /nfs/dbraw/zinc/22/86/83/463228683.db2.gz MSYSXKSTLVGCAZ-UHFFFAOYSA-N 0 0 340.431 2.002 40 0 EEABRN COCCNC(=O)c1nc2c(s1)CCCN2Cc1ccccc1 ZINC000096264612 463231873 /nfs/dbraw/zinc/23/18/73/463231873.db2.gz JXGCVVSNSOBOHH-UHFFFAOYSA-N 0 0 331.441 2.472 40 0 EEABRN CCOc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000028914344 463236806 /nfs/dbraw/zinc/23/68/06/463236806.db2.gz XCCVEQJCPPADGG-AWEZNQCLSA-N 0 0 349.408 2.204 40 0 EEABRN Cc1cnn(CC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000096412616 463245126 /nfs/dbraw/zinc/24/51/26/463245126.db2.gz FKMHLPOCPLGWIF-SFHVURJKSA-N 0 0 331.391 2.303 40 0 EEABRN CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000096413623 463246463 /nfs/dbraw/zinc/24/64/63/463246463.db2.gz KXPWPMLANFRIMU-BJOHPYRUSA-N 0 0 330.787 2.331 40 0 EEABRN COC(=O)c1sc2cccc(F)c2c1CNC(=O)c1nccn1C ZINC000096421363 463253152 /nfs/dbraw/zinc/25/31/52/463253152.db2.gz WAEJUZUNKSTACJ-UHFFFAOYSA-N 0 0 347.371 2.491 40 0 EEABRN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)Oc1ccccc1Cl ZINC000096426864 463255796 /nfs/dbraw/zinc/25/57/96/463255796.db2.gz KHABPMMHSTTXLG-NSHDSACASA-N 0 0 326.824 2.386 40 0 EEABRN COc1ccccc1-n1cc(S(=O)(=O)NCc2ccsc2)cn1 ZINC000096427720 463256850 /nfs/dbraw/zinc/25/68/50/463256850.db2.gz GWWUMLWMTJJULF-UHFFFAOYSA-N 0 0 349.437 2.421 40 0 EEABRN COc1ccccc1-n1cc(S(=O)(=O)NCc2cccs2)cn1 ZINC000096427615 463257283 /nfs/dbraw/zinc/25/72/83/463257283.db2.gz DDUQHWAPAMTPSN-UHFFFAOYSA-N 0 0 349.437 2.421 40 0 EEABRN Cc1cc(N[C@@H](CN2CCCC2=O)c2ccccc2)n2ncnc2n1 ZINC000096429579 463258820 /nfs/dbraw/zinc/25/88/20/463258820.db2.gz WIJWVJIKGAPERE-HNNXBMFYSA-N 0 0 336.399 2.208 40 0 EEABRN O=C(NC1(c2ccccc2)CC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096436453 463264521 /nfs/dbraw/zinc/26/45/21/463264521.db2.gz JEMXABLWWKBIRQ-MRXNPFEDSA-N 0 0 348.402 2.311 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)n1 ZINC000096439324 463265751 /nfs/dbraw/zinc/26/57/51/463265751.db2.gz VLTMNJGTDVFQHB-WCQYABFASA-N 0 0 346.479 2.169 40 0 EEABRN Cn1ncc2c1ncn(Cc1cc(-c3ccc(Cl)cc3)no1)c2=O ZINC000054833134 463266972 /nfs/dbraw/zinc/26/69/72/463266972.db2.gz KFIOCBQTMURDLU-UHFFFAOYSA-N 0 0 341.758 2.487 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCc1ccc(C)nc1 ZINC000096440091 463267637 /nfs/dbraw/zinc/26/76/37/463267637.db2.gz KVKMJYQQTRDEMG-CYBMUJFWSA-N 0 0 329.448 2.213 40 0 EEABRN C[C@@H]1COC[C@@H](C)N1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443468 463268087 /nfs/dbraw/zinc/26/80/87/463268087.db2.gz VWHAIBXPNKBKCV-CHWSQXEVSA-N 0 0 333.457 2.064 40 0 EEABRN Cc1nccn1CCCCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000096444045 463269385 /nfs/dbraw/zinc/26/93/85/463269385.db2.gz WYUGOOUOZJZIOG-HNNXBMFYSA-N 0 0 330.436 2.284 40 0 EEABRN NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000096454363 463274234 /nfs/dbraw/zinc/27/42/34/463274234.db2.gz DDARWIBPXVNWBH-CYBMUJFWSA-N 0 0 327.384 2.045 40 0 EEABRN CN(Cc1cccs1)C(=O)CNc1cccc(-c2nnnn2C)c1 ZINC000096453324 463274679 /nfs/dbraw/zinc/27/46/79/463274679.db2.gz YJEVVGWJAWPKML-UHFFFAOYSA-N 0 0 342.428 2.009 40 0 EEABRN Cn1cc(C(=O)OCCNc2ccc(C(F)(F)F)cn2)ccc1=O ZINC000096482967 463281196 /nfs/dbraw/zinc/28/11/96/463281196.db2.gz GJGJWBUKJWPBFF-UHFFFAOYSA-N 0 0 341.289 2.068 40 0 EEABRN O=C(c1c[nH]nc1-c1ccccc1F)N1CCC(n2ccnn2)CC1 ZINC000096487029 463284766 /nfs/dbraw/zinc/28/47/66/463284766.db2.gz IMTACTHMULGFQI-UHFFFAOYSA-N 0 0 340.362 2.285 40 0 EEABRN Cc1ccc(S(N)(=O)=O)c(C(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000096489083 463285012 /nfs/dbraw/zinc/28/50/12/463285012.db2.gz BDXILUUJPIGOIR-UHFFFAOYSA-N 0 0 348.399 2.201 40 0 EEABRN CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000096491345 463286852 /nfs/dbraw/zinc/28/68/52/463286852.db2.gz UKCDXUWZKIIKHQ-CYBMUJFWSA-N 0 0 342.321 2.318 40 0 EEABRN CSc1cncc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000097095875 463321901 /nfs/dbraw/zinc/32/19/01/463321901.db2.gz KCDPTLNWQBVKDW-SECBINFHSA-N 0 0 334.367 2.093 40 0 EEABRN Cc1nccc(N2CCN(C(=O)NC[C@@H](C)c3cccs3)CC2)n1 ZINC000097376452 463357192 /nfs/dbraw/zinc/35/71/92/463357192.db2.gz PZWRAYSMNUUMCE-CYBMUJFWSA-N 0 0 345.472 2.482 40 0 EEABRN CCN1C[C@@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1=O ZINC000097380195 463358549 /nfs/dbraw/zinc/35/85/49/463358549.db2.gz QAXXXLYUKFRSMG-NSHDSACASA-N 0 0 331.347 2.241 40 0 EEABRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nccnc2N)cc1 ZINC000081328911 463420681 /nfs/dbraw/zinc/42/06/81/463420681.db2.gz RUCPLNRWIUPRHU-INIZCTEOSA-N 0 0 340.427 2.231 40 0 EEABRN O=C(CCn1ncc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000040758139 463463852 /nfs/dbraw/zinc/46/38/52/463463852.db2.gz VAUVTSFWXVFXOW-UHFFFAOYSA-N 0 0 335.411 2.170 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC000057318603 463477750 /nfs/dbraw/zinc/47/77/50/463477750.db2.gz ADTILESCHBKLLD-GXTWGEPZSA-N 0 0 338.835 2.343 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc21 ZINC000071976916 463479378 /nfs/dbraw/zinc/47/93/78/463479378.db2.gz VSONBVXXMUGFHP-SNVBAGLBSA-N 0 0 330.365 2.434 40 0 EEABRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc2c(c1)OCCO2 ZINC000072242508 463487013 /nfs/dbraw/zinc/48/70/13/463487013.db2.gz APTPAXMZKFJNDN-OAHLLOKOSA-N 0 0 325.368 2.364 40 0 EEABRN CN(C(=O)CNc1ccccc1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000057854253 463525043 /nfs/dbraw/zinc/52/50/43/463525043.db2.gz NPEMHZKZHUHZNK-ZDUSSCGKSA-N 0 0 338.473 2.042 40 0 EEABRN CN(c1ccccc1NC(=O)[C@H]1COc2ccccc21)S(C)(=O)=O ZINC000151509295 463543269 /nfs/dbraw/zinc/54/32/69/463543269.db2.gz NHSZVCUXEKQEJK-ZDUSSCGKSA-N 0 0 346.408 2.197 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)o1 ZINC000084582429 463613832 /nfs/dbraw/zinc/61/38/32/463613832.db2.gz MANZAODVNDJXRQ-JTQLQIEISA-N 0 0 340.401 2.231 40 0 EEABRN Cn1cc(C(=O)NCCc2csc(-c3ccccc3)n2)ccc1=O ZINC000084840105 463634520 /nfs/dbraw/zinc/63/45/20/463634520.db2.gz MIGHWCWCGLLURQ-UHFFFAOYSA-N 0 0 339.420 2.481 40 0 EEABRN O=C(Cn1c(=O)onc1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000060107189 463650321 /nfs/dbraw/zinc/65/03/21/463650321.db2.gz CPKADOICNUKSSR-UHFFFAOYSA-N 0 0 343.770 2.473 40 0 EEABRN Nc1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000256052182 463755506 /nfs/dbraw/zinc/75/55/06/463755506.db2.gz MFQHNPCQXZPVBJ-UHFFFAOYSA-N 0 0 329.375 2.136 40 0 EEABRN Cn1cc(SCC(=O)N2CCN(c3ccccc3F)CC2)cn1 ZINC000257173628 463755889 /nfs/dbraw/zinc/75/58/89/463755889.db2.gz SRSVTHGKJBOSRV-UHFFFAOYSA-N 0 0 334.420 2.000 40 0 EEABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257286016 463763236 /nfs/dbraw/zinc/76/32/36/463763236.db2.gz PJVKEIFEYCJGGK-INIZCTEOSA-N 0 0 332.375 2.453 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257294566 463765495 /nfs/dbraw/zinc/76/54/95/463765495.db2.gz QUSGUAOIPMAWAK-CQSZACIVSA-N 0 0 325.368 2.487 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 ZINC000257318189 463775577 /nfs/dbraw/zinc/77/55/77/463775577.db2.gz VMWHDFZZFBNJCR-HNNXBMFYSA-N 0 0 329.448 2.407 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000257319011 463777021 /nfs/dbraw/zinc/77/70/21/463777021.db2.gz VQHVPUDWUZGVGM-OAHLLOKOSA-N 0 0 344.390 2.108 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000257328128 463779146 /nfs/dbraw/zinc/77/91/46/463779146.db2.gz XEGXJUIATKWKIZ-ZDUSSCGKSA-N 0 0 329.404 2.218 40 0 EEABRN COc1cc(CCC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)on1 ZINC000257328989 463779797 /nfs/dbraw/zinc/77/97/97/463779797.db2.gz XHYBWHLAEYPVPC-AWEZNQCLSA-N 0 0 344.415 2.138 40 0 EEABRN COc1ccccc1C(=O)N1CC[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257331373 463780851 /nfs/dbraw/zinc/78/08/51/463780851.db2.gz XSPAUOXRTTVOQJ-ZDUSSCGKSA-N 0 0 328.416 2.110 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257338224 463784265 /nfs/dbraw/zinc/78/42/65/463784265.db2.gz YWMNBDFDMOTEHI-HKUYNNGSSA-N 0 0 332.444 2.457 40 0 EEABRN O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1n[nH]c2c1CCCC2 ZINC000257341887 463785987 /nfs/dbraw/zinc/78/59/87/463785987.db2.gz ZMHXFTMYJJUCEB-OAHLLOKOSA-N 0 0 341.415 2.250 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@H](C)c3cn(C)nc3C)CCO2)n1 ZINC000194204304 463814191 /nfs/dbraw/zinc/81/41/91/463814191.db2.gz ZIUHSCZDMOPDLT-BXUZGUMPSA-N 0 0 349.460 2.338 40 0 EEABRN Cc1cccc([C@@H](O)CNc2cc(N3CCSCC3)ncn2)c1 ZINC000277835912 463934226 /nfs/dbraw/zinc/93/42/26/463934226.db2.gz PXJRCDJWHJVTFD-HNNXBMFYSA-N 0 0 330.457 2.484 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000195564307 464077493 /nfs/dbraw/zinc/07/74/93/464077493.db2.gz AQZAANGYLNQPRG-GXTWGEPZSA-N 0 0 346.349 2.330 40 0 EEABRN CCOc1ccc(Cl)cc1CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC000179288133 464098624 /nfs/dbraw/zinc/09/86/24/464098624.db2.gz GITDSNLUCYGOTQ-UHFFFAOYSA-N 0 0 349.818 2.411 40 0 EEABRN Cc1ccc(C(=O)N[C@H]2C(=O)NN[C@H]2c2ccc(Cl)cc2)cc1 ZINC000214341906 464105768 /nfs/dbraw/zinc/10/57/68/464105768.db2.gz YOLKHJVBLDIPPY-LSDHHAIUSA-N 0 0 329.787 2.123 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000222561479 464131856 /nfs/dbraw/zinc/13/18/56/464131856.db2.gz WAZHXZBXDPVCDY-HUUCEWRRSA-N 0 0 327.446 2.236 40 0 EEABRN O=C(COC(=O)c1ccccc1)OCC(=O)OCc1ccccc1 ZINC000263583711 464134115 /nfs/dbraw/zinc/13/41/15/464134115.db2.gz USJHPCPUHZQNTH-UHFFFAOYSA-N 0 0 328.320 2.130 40 0 EEABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1 ZINC000223824625 464147195 /nfs/dbraw/zinc/14/71/95/464147195.db2.gz WSVKZKGTEJVEFM-ZDUSSCGKSA-N 0 0 348.424 2.488 40 0 EEABRN O=C(COc1ccccc1)NCc1ccnc(N2CCCCC2)n1 ZINC000224207057 464149269 /nfs/dbraw/zinc/14/92/69/464149269.db2.gz OYUIRJRFVXKJLO-UHFFFAOYSA-N 0 0 326.400 2.162 40 0 EEABRN CN1CCN(c2ncc(NC(=O)c3ccccc3Cl)cn2)CC1 ZINC000224252377 464149397 /nfs/dbraw/zinc/14/93/97/464149397.db2.gz OWLFIYUPZMEMQQ-UHFFFAOYSA-N 0 0 331.807 2.134 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Nc3ccccc3F)cn2)CC1 ZINC000224266930 464149785 /nfs/dbraw/zinc/14/97/85/464149785.db2.gz BOJXYQSRZKWHLH-UHFFFAOYSA-N 0 0 330.367 2.012 40 0 EEABRN Cc1cc(CNC(=O)Nc2ccccc2C)nc(N2CCOCC2)n1 ZINC000224229799 464149869 /nfs/dbraw/zinc/14/98/69/464149869.db2.gz TWTKOJCGHQQYLJ-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CN(C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 ZINC000224230265 464150293 /nfs/dbraw/zinc/15/02/93/464150293.db2.gz ZTXWSWMAFQADAI-MRXNPFEDSA-N 0 0 332.425 2.282 40 0 EEABRN COc1cc(NC(=S)NCCc2ccc(OC)c(OC)c2)ncn1 ZINC000225182571 464153915 /nfs/dbraw/zinc/15/39/15/464153915.db2.gz QHTLJNIXADQTOC-UHFFFAOYSA-N 0 0 348.428 2.032 40 0 EEABRN O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1cccc2n[nH]nc21 ZINC000225482812 464165043 /nfs/dbraw/zinc/16/50/43/464165043.db2.gz ALLWQJCOTRHLDX-CYBMUJFWSA-N 0 0 334.738 2.214 40 0 EEABRN Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)NC2CC2)c1 ZINC000225488612 464165514 /nfs/dbraw/zinc/16/55/14/464165514.db2.gz JIKRWMWRYITPAF-UHFFFAOYSA-N 0 0 336.439 2.488 40 0 EEABRN CCc1ncnc(N2CC[C@H](Oc3cccnc3N(C)C)C2)c1F ZINC000225575399 464173761 /nfs/dbraw/zinc/17/37/61/464173761.db2.gz OFZUTNHDXTWSGD-LBPRGKRZSA-N 0 0 331.395 2.297 40 0 EEABRN C[C@H](NC(=O)NCC1(c2ccccc2Cl)CCC1)c1nnnn1C ZINC000225626769 464176472 /nfs/dbraw/zinc/17/64/72/464176472.db2.gz NKPQJVFVDVJYMJ-NSHDSACASA-N 0 0 348.838 2.346 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000226604095 464185084 /nfs/dbraw/zinc/18/50/84/464185084.db2.gz HDUOHVCHFUIZIQ-HLLBOEOZSA-N 0 0 334.391 2.030 40 0 EEABRN Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H]1CCSC1=O ZINC000173324667 464239259 /nfs/dbraw/zinc/23/92/59/464239259.db2.gz HLWZTEDXMJHAKG-GFCCVEGCSA-N 0 0 347.465 2.421 40 0 EEABRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@H]1CCC(=O)N1 ZINC000284793153 464342863 /nfs/dbraw/zinc/34/28/63/464342863.db2.gz VOTVFBFXBNCETM-GFCCVEGCSA-N 0 0 335.816 2.358 40 0 EEABRN Cc1nnc([C@@H]2CN(Cc3ccn(-c4ccccc4F)n3)CCO2)[nH]1 ZINC000189043546 464422597 /nfs/dbraw/zinc/42/25/97/464422597.db2.gz MGYHZEOQXXVERO-INIZCTEOSA-N 0 0 342.378 2.011 40 0 EEABRN O=C(NCCc1ccncc1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000240104232 464445466 /nfs/dbraw/zinc/44/54/66/464445466.db2.gz UMQLSZAVFYFBNR-CQSZACIVSA-N 0 0 347.802 2.270 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1COCCN1CC1CCC2(CC1)OCCO2 ZINC000241470620 464453837 /nfs/dbraw/zinc/45/38/37/464453837.db2.gz NWOKYMWEBAMFLD-MRXNPFEDSA-N 0 0 335.448 2.333 40 0 EEABRN Cc1cnc(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)s1 ZINC000189314294 464473867 /nfs/dbraw/zinc/47/38/67/464473867.db2.gz OQOWKFHFNZVSHS-GFCCVEGCSA-N 0 0 337.474 2.185 40 0 EEABRN CCN(C(=O)c1ncncc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000175215432 464506361 /nfs/dbraw/zinc/50/63/61/464506361.db2.gz WIGZPEFZTPOREM-AWEZNQCLSA-N 0 0 344.802 2.398 40 0 EEABRN COc1ccc(C(=O)NC(C)(C)c2nccs2)cc1OCCO ZINC000281662327 464538759 /nfs/dbraw/zinc/53/87/59/464538759.db2.gz SOVHRDDKGFBWGB-UHFFFAOYSA-N 0 0 336.413 2.188 40 0 EEABRN Fc1cccnc1O[C@@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000247487861 464684887 /nfs/dbraw/zinc/68/48/87/464684887.db2.gz ALZDCAHZFGOFCI-OAHLLOKOSA-N 0 0 329.375 2.428 40 0 EEABRN CCCOc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000190795490 464722380 /nfs/dbraw/zinc/72/23/80/464722380.db2.gz OAOWVEMFHNCWME-OAHLLOKOSA-N 0 0 343.431 2.190 40 0 EEABRN Cc1ncsc1CN1CCn2cc(C(=O)NC3CC3)nc2[C@H]1C ZINC000248007618 464723075 /nfs/dbraw/zinc/72/30/75/464723075.db2.gz FHCHRRVMDFRUCF-LLVKDONJSA-N 0 0 331.445 2.117 40 0 EEABRN CCn1cc([C@@H]2CN(Cc3ccc(C(=O)OC)s3)CCO2)cn1 ZINC000190828188 464728260 /nfs/dbraw/zinc/72/82/60/464728260.db2.gz ZRJJWPUSNJEKOI-AWEZNQCLSA-N 0 0 335.429 2.325 40 0 EEABRN CO[C@H]1CC[C@@H](NC(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000191157882 464787175 /nfs/dbraw/zinc/78/71/75/464787175.db2.gz HGRNPGHSEJMIPA-WBVHZDCISA-N 0 0 328.416 2.282 40 0 EEABRN CC(C)S(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@H]2C1 ZINC000249700886 464904127 /nfs/dbraw/zinc/90/41/27/464904127.db2.gz YDULGAPHJXTEQU-JQFCIGGWSA-N 0 0 341.448 2.483 40 0 EEABRN COc1ccccc1Nc1ccccc1C(=O)N[C@H]1CCC(=O)NC1 ZINC000252508138 464974821 /nfs/dbraw/zinc/97/48/21/464974821.db2.gz XDTRGSSHGFZRGT-ZDUSSCGKSA-N 0 0 339.395 2.447 40 0 EEABRN COCCn1cc(CNC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cn1 ZINC000252527791 464979692 /nfs/dbraw/zinc/97/96/92/464979692.db2.gz DJCSRDGIHWWPHW-JCNLHEQBSA-N 0 0 346.406 2.414 40 0 EEABRN c1nc(CN2CCC[C@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396346 465000070 /nfs/dbraw/zinc/00/00/70/465000070.db2.gz AJBBMKXNWHVGSB-HNNXBMFYSA-N 0 0 349.442 2.185 40 0 EEABRN O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(Br)o1 ZINC000253397775 465000122 /nfs/dbraw/zinc/00/01/22/465000122.db2.gz FZAMDSUMAVHASM-YWVKMMECSA-N 0 0 330.178 2.108 40 0 EEABRN O=C(Cn1cn[nH]c1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000184624614 465010631 /nfs/dbraw/zinc/01/06/31/465010631.db2.gz JFHIKSFHHZUQER-GOSISDBHSA-N 0 0 348.362 2.223 40 0 EEABRN O=C(Cc1cnc2ccccc2c1)N[C@@H]1CN(c2ccccc2)C1=O ZINC000253426492 465011809 /nfs/dbraw/zinc/01/18/09/465011809.db2.gz HBRUQCDLSSMOGF-GOSISDBHSA-N 0 0 331.375 2.309 40 0 EEABRN CSc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000253430992 465013226 /nfs/dbraw/zinc/01/32/26/465013226.db2.gz GHZPYTPSTFFYHS-INIZCTEOSA-N 0 0 332.469 2.468 40 0 EEABRN CC[C@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21 ZINC000299817301 465888268 /nfs/dbraw/zinc/88/82/68/465888268.db2.gz SNFDFYWXKBFWTO-SWLSCSKDSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN FC(F)(F)CN1CCC(CNc2ncnc3ccncc32)CC1 ZINC000581407747 468493297 /nfs/dbraw/zinc/49/32/97/468493297.db2.gz XNVPMDAMCOOESY-UHFFFAOYSA-N 0 0 325.338 2.711 40 0 EEABRN CN(C)c1ccc(-c2nnc3n2CC[C@H](C(=O)NC2CC2)CC3)cc1 ZINC000306135207 466491106 /nfs/dbraw/zinc/49/11/06/466491106.db2.gz OKXKBOKQPXKFBV-CQSZACIVSA-N 0 0 339.443 2.242 40 0 EEABRN CCN(C)C(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306134973 466491621 /nfs/dbraw/zinc/49/16/21/466491621.db2.gz ODLKQZWPOIITNY-CQSZACIVSA-N 0 0 343.431 2.245 40 0 EEABRN Cc1cc(CN2Cc3ccnn3C[C@H](OCc3ccccn3)C2)no1 ZINC000306133671 466491665 /nfs/dbraw/zinc/49/16/65/466491665.db2.gz MSLNUSJSUQQJIU-GOSISDBHSA-N 0 0 339.399 2.176 40 0 EEABRN CCN1C[C@@H](c2ccccc2)OC[C@@]12CCN(C(=O)NC1CC1)C2 ZINC000306143622 466494190 /nfs/dbraw/zinc/49/41/90/466494190.db2.gz YHAHWYYQMUUPTO-HKUYNNGSSA-N 0 0 329.444 2.396 40 0 EEABRN Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)n2N)s1 ZINC000409164054 466685876 /nfs/dbraw/zinc/68/58/76/466685876.db2.gz BUCXSFUGBQZGLQ-UHFFFAOYSA-N 0 0 346.441 2.155 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3cccnc3C)C2)c1F ZINC000390829392 467412447 /nfs/dbraw/zinc/41/24/47/467412447.db2.gz YHNYQUPFQJVJKQ-LBPRGKRZSA-N 0 0 330.363 2.175 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)s1 ZINC000390829579 467412737 /nfs/dbraw/zinc/41/27/37/467412737.db2.gz FFZFBGIPLZKHED-LBPRGKRZSA-N 0 0 325.459 2.358 40 0 EEABRN CC(C)Oc1cncc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000390835538 467415359 /nfs/dbraw/zinc/41/53/59/467415359.db2.gz PZHGPGHSYBNGCP-UHFFFAOYSA-N 0 0 339.351 2.347 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(C(=O)C4(F)CC4)C3)C2)c1 ZINC000575405151 468141597 /nfs/dbraw/zinc/14/15/97/468141597.db2.gz RKSBHCZQRWFMNL-HNNXBMFYSA-N 0 0 334.391 2.169 40 0 EEABRN O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2CCOCc1cccnc1 ZINC000575404580 468141748 /nfs/dbraw/zinc/14/17/48/468141748.db2.gz SEAPXJJPGNGZAB-KRWDZBQOSA-N 0 0 330.428 2.406 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000575403513 468141753 /nfs/dbraw/zinc/14/17/53/468141753.db2.gz MJMGCUYSOBUJGR-YMAMQOFZSA-N 0 0 336.432 2.433 40 0 EEABRN O=C(Cc1ccc(F)cc1F)NCc1nc(C2CCOCC2)no1 ZINC000575605392 468146074 /nfs/dbraw/zinc/14/60/74/468146074.db2.gz FDPROWYVCPDLIK-UHFFFAOYSA-N 0 0 337.326 2.101 40 0 EEABRN CCCS(=O)(=O)N1CC2(C1)C[C@H](OCC1CCCC1)CS2 ZINC000585093558 468963592 /nfs/dbraw/zinc/96/35/92/468963592.db2.gz NEXYMGDGLZQBJW-AWEZNQCLSA-N 0 0 333.519 2.493 40 0 EEABRN COC[C@H]1CCn2nccc2CN1C(=O)COc1ccc(C)cc1 ZINC000585097682 468965790 /nfs/dbraw/zinc/96/57/90/468965790.db2.gz PJEQCEVQJQATFM-MRXNPFEDSA-N 0 0 329.400 2.018 40 0 EEABRN Cc1ncoc1C(=O)N1CCn2c(CCOCC3CC3)cnc2[C@H]1C ZINC000585097067 468965871 /nfs/dbraw/zinc/96/58/71/468965871.db2.gz FIWRNIUYNNQEQW-CYBMUJFWSA-N 0 0 344.415 2.366 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C ZINC000585098769 468967221 /nfs/dbraw/zinc/96/72/21/468967221.db2.gz ZTFDNIMXOTXJJQ-HNNXBMFYSA-N 0 0 346.475 2.387 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@H]2C ZINC000585098003 468967373 /nfs/dbraw/zinc/96/73/73/468967373.db2.gz QHBIDVSBWJMCOX-ZDUSSCGKSA-N 0 0 331.391 2.357 40 0 EEABRN CCn1ccc(CC(=O)N2CCCc3c(OC)cc(OC)cc32)n1 ZINC000585124089 468983566 /nfs/dbraw/zinc/98/35/66/468983566.db2.gz PNSVAMMBJSYQEH-UHFFFAOYSA-N 0 0 329.400 2.442 40 0 EEABRN CN(C)c1nc([C@H]2CCCN2C(=O)c2cnccn2)cn2cccc12 ZINC000585178754 468994226 /nfs/dbraw/zinc/99/42/26/468994226.db2.gz HAPPYSLEONKUIA-OAHLLOKOSA-N 0 0 336.399 2.168 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2ncc3ccccc32)n1 ZINC000585181467 468995543 /nfs/dbraw/zinc/99/55/43/468995543.db2.gz UEQBAAWFZSNQDP-MRXNPFEDSA-N 0 0 339.399 2.058 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585270812 468997604 /nfs/dbraw/zinc/99/76/04/468997604.db2.gz BLHFSAAOTQAERJ-ROUUACIJSA-N 0 0 345.418 2.466 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2nccn2C)[C@H]1Cc1cccc(F)c1 ZINC000585276348 469000580 /nfs/dbraw/zinc/00/05/80/469000580.db2.gz IOOREAKHPKPSMD-HOTGVXAUSA-N 0 0 331.391 2.422 40 0 EEABRN O=C(c1ccccc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585277448 469001774 /nfs/dbraw/zinc/00/17/74/469001774.db2.gz WTFCXIXNZQGCCS-IBGZPJMESA-N 0 0 329.371 2.272 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)c2cccn2C)C1 ZINC000585277680 469002798 /nfs/dbraw/zinc/00/27/98/469002798.db2.gz OAOWXGSKRHQZAA-GOSISDBHSA-N 0 0 332.375 2.474 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)[C@H]1Cc1ccc(C)cc1 ZINC000585278627 469004334 /nfs/dbraw/zinc/00/43/34/469004334.db2.gz UTAUERSZKRKMQD-IRXDYDNUSA-N 0 0 341.411 2.353 40 0 EEABRN Cn1cccc1C(=O)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585284325 469008356 /nfs/dbraw/zinc/00/83/56/469008356.db2.gz HEPHWWFPSRVIJK-CSMYWGQOSA-N 0 0 332.375 2.113 40 0 EEABRN CO[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@]12C[C@@H](c1ccccc1)CO2 ZINC000585288244 469010265 /nfs/dbraw/zinc/01/02/65/469010265.db2.gz SGFGSTQQNKLMSU-SZVBFZGTSA-N 0 0 341.411 2.132 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000608223711 469787686 /nfs/dbraw/zinc/78/76/86/469787686.db2.gz HWXCFDYHMSAJJE-PMPSAXMXSA-N 0 0 339.395 2.178 40 0 EEABRN CCCn1nccc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000028222466 485472611 /nfs/dbraw/zinc/47/26/11/485472611.db2.gz KRIFNJBHXBXDBQ-UHFFFAOYSA-N 0 0 328.416 2.264 40 0 EEABRN CC[C@@H](C)n1nc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1C ZINC000679188210 485608982 /nfs/dbraw/zinc/60/89/82/485608982.db2.gz WBTLOSFQOBJKOL-CXAGYDPISA-N 0 0 340.427 2.476 40 0 EEABRN Cc1ccn2ncc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)c2n1 ZINC000181234728 534370568 /nfs/dbraw/zinc/37/05/68/534370568.db2.gz UTQWZHZKFOZGNI-INIZCTEOSA-N 0 0 336.395 2.121 40 0 EEABRN FC(F)(F)c1cc(N(C[C@H]2CCOC2)C2CC2)n2ncnc2n1 ZINC000184164580 534415675 /nfs/dbraw/zinc/41/56/75/534415675.db2.gz AWYOEKALKRJVMZ-SECBINFHSA-N 0 0 327.310 2.148 40 0 EEABRN CC(=O)NC[C@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000179718905 526796212 /nfs/dbraw/zinc/79/62/12/526796212.db2.gz SMYAHSCVIAHBSI-ZDUSSCGKSA-N 0 0 334.313 2.181 40 0 EEABRN COc1ccc(Cc2cnc([C@@H]3CCCN3S(C)(=O)=O)o2)cc1 ZINC000257263671 536534202 /nfs/dbraw/zinc/53/42/02/536534202.db2.gz LQYYTJYLFNEIHV-HNNXBMFYSA-N 0 0 336.413 2.371 40 0 EEABRN CCOC(=O)c1ccc(CNC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000132137037 528215900 /nfs/dbraw/zinc/21/59/00/528215900.db2.gz KEIHWSYTKAEQIL-UHFFFAOYSA-N 0 0 332.400 2.328 40 0 EEABRN CCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408709768 528490061 /nfs/dbraw/zinc/49/00/61/528490061.db2.gz WTRHOXNYAWAWIV-UHFFFAOYSA-N 0 0 331.416 2.214 40 0 EEABRN CC(C)[C@H](Cn1nccn1)NC(=O)c1ccccc1Br ZINC000253473464 535046582 /nfs/dbraw/zinc/04/65/82/535046582.db2.gz VEOQXMVYENRWDU-ZDUSSCGKSA-N 0 0 337.221 2.495 40 0 EEABRN COC(=O)CN1CCO[C@@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494453 536471620 /nfs/dbraw/zinc/47/16/20/536471620.db2.gz GULZMVRMNVJVTN-SNVBAGLBSA-N 0 0 334.199 2.246 40 0 EEABRN COc1ccc([C@H]2CN(Cc3[nH]cnc3C)CCN2C(C)=O)cc1 ZINC000257244118 536944672 /nfs/dbraw/zinc/94/46/72/536944672.db2.gz IJXYZTFZYBKUQS-GOSISDBHSA-N 0 0 328.416 2.132 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000200037638 790178619 /nfs/dbraw/zinc/17/86/19/790178619.db2.gz JVASJVGRHCBOPX-UHFFFAOYSA-N 0 0 348.424 2.441 40 0 EEABRN O=S1(=O)C[C@H](O)[C@@H](Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000001252270 1110645653 /nfs/dbraw/zinc/64/56/53/1110645653.db2.gz JJOFITCCYBUALK-UWVGGRQHSA-N 0 0 330.620 2.217 40 0 EEABRN C[C@H]1NC(=S)N(c2cccc(COC[C@@H]3CCCCO3)c2)C1=O ZINC000055179699 214284453 /nfs/dbraw/zinc/28/44/53/214284453.db2.gz GBWVCWQIZBTQME-DOMZBBRYSA-N 0 0 334.441 2.382 40 0 EEABRN COc1ncccc1C(=O)N1CCO[C@H]2[C@H](OCC(C)C)CC[C@@H]21 ZINC000097953704 219064517 /nfs/dbraw/zinc/06/45/17/219064517.db2.gz DXNGBXSPVCLMEU-ARFHVFGLSA-N 0 0 334.416 2.135 40 0 EEABRN COc1cccc(N2C(=O)C[C@@H](Nc3ccccc3OC)C2=O)c1 ZINC000101275916 219120608 /nfs/dbraw/zinc/12/06/08/219120608.db2.gz CPEUZCDAFHAWRJ-OAHLLOKOSA-N 0 0 326.352 2.448 40 0 EEABRN CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 ZINC000003903744 210089137 /nfs/dbraw/zinc/08/91/37/210089137.db2.gz LYJVODDGMLQANQ-OAFZBRQQSA-N 0 0 333.428 2.444 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000178965374 232652692 /nfs/dbraw/zinc/65/26/92/232652692.db2.gz LGYFKNUPEFGDKB-ZIAGYGMSSA-N 0 0 333.461 2.392 40 0 EEABRN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1COc2ccccc2O1 ZINC000043996093 213605673 /nfs/dbraw/zinc/60/56/73/213605673.db2.gz YQTMYOWVKZHQBZ-HNNXBMFYSA-N 0 0 337.335 2.193 40 0 EEABRN C[C@@H](NC(=O)c1ccccc1)C(=O)/N=c1/sc2ccccc2n1C ZINC000103040207 219249732 /nfs/dbraw/zinc/24/97/32/219249732.db2.gz MIOHSDUPXSWLLH-XGXBSQSSSA-N 0 0 339.420 2.486 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@]1(C)Sc2ccccc2NC1=O ZINC000040773967 213384151 /nfs/dbraw/zinc/38/41/51/213384151.db2.gz SPLYSSKVTUWDEE-MRXNPFEDSA-N 0 0 330.413 2.479 40 0 EEABRN COc1cc(CNC(=O)c2ccn(C)c(=O)c2)ccc1OC(C)C ZINC000040086923 213260425 /nfs/dbraw/zinc/26/04/25/213260425.db2.gz QFUHCBIOLNRJOQ-UHFFFAOYSA-N 0 0 330.384 2.111 40 0 EEABRN Cc1nnc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000183329911 235010994 /nfs/dbraw/zinc/01/09/94/235010994.db2.gz QVQFPQOWNSPNIU-UHFFFAOYSA-N 0 0 330.413 2.337 40 0 EEABRN Cn1ccnc(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1=O ZINC000183795265 235229194 /nfs/dbraw/zinc/22/91/94/235229194.db2.gz DQAMUMOPYQBKPB-LLVKDONJSA-N 0 0 348.790 2.119 40 0 EEABRN NC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000000513601 209642065 /nfs/dbraw/zinc/64/20/65/209642065.db2.gz AIRZAORGSUEUJS-UHFFFAOYSA-N 0 0 347.827 2.495 40 0 EEABRN Cc1csc([C@@H](C)CNC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000186808508 236028077 /nfs/dbraw/zinc/02/80/77/236028077.db2.gz GKYYZLACTHZAPI-AAEUAGOBSA-N 0 0 334.449 2.193 40 0 EEABRN O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1 ZINC000035999508 213054275 /nfs/dbraw/zinc/05/42/75/213054275.db2.gz JMACRQOJDRFQAX-HIFRSBDPSA-N 0 0 336.819 2.209 40 0 EEABRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCNC(=O)[C@@H]1C ZINC000072096378 216007226 /nfs/dbraw/zinc/00/72/26/216007226.db2.gz PZSNMGCFYPGJNB-JTQLQIEISA-N 0 0 337.445 2.002 40 0 EEABRN Cc1ccc2c(cnn2CCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000072250161 216083318 /nfs/dbraw/zinc/08/33/18/216083318.db2.gz ADCOJJOLBFOOCL-HNNXBMFYSA-N 0 0 342.443 2.252 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000106823311 219701974 /nfs/dbraw/zinc/70/19/74/219701974.db2.gz GJQQPLWLHACTJV-INIZCTEOSA-N 0 0 337.423 2.161 40 0 EEABRN CCc1ccccc1N(CC(=O)NC)S(=O)(=O)c1ccccc1 ZINC000000379712 209559829 /nfs/dbraw/zinc/55/98/29/209559829.db2.gz ZTIFKUBRFLCBTL-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)c1C ZINC000000260637 209506526 /nfs/dbraw/zinc/50/65/26/209506526.db2.gz GGLUUUIYIJSZJJ-HOCLYGCPSA-N 0 0 334.416 2.470 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335241 216156028 /nfs/dbraw/zinc/15/60/28/216156028.db2.gz RHETYSSGSZYOOH-DGCLKSJQSA-N 0 0 344.440 2.406 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(N)=O ZINC000072346283 216159106 /nfs/dbraw/zinc/15/91/06/216159106.db2.gz JOTHEZYBJGNNDX-AWEZNQCLSA-N 0 0 328.347 2.000 40 0 EEABRN CC(=O)N1CCC[C@H](c2cncc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072354325 216162348 /nfs/dbraw/zinc/16/23/48/216162348.db2.gz KGMDQCAAPXWPCZ-AWEZNQCLSA-N 0 0 326.404 2.353 40 0 EEABRN NC(=O)CN1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355721 216164573 /nfs/dbraw/zinc/16/45/73/216164573.db2.gz SZNMOWZLADSXKL-MRXNPFEDSA-N 0 0 330.819 2.343 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000072366816 216170937 /nfs/dbraw/zinc/17/09/37/216170937.db2.gz WTBWWDWQRPKXGP-ZDUSSCGKSA-N 0 0 341.383 2.429 40 0 EEABRN Cc1cc(C)nc(N2CCC(c3cncc(-n4ccnc4)n3)CC2)n1 ZINC000072369171 216176106 /nfs/dbraw/zinc/17/61/06/216176106.db2.gz XIEAYBTVOIPEOK-UHFFFAOYSA-N 0 0 335.415 2.453 40 0 EEABRN CN1CCN(c2cc[n+]3c([O-])c(-c4ccccc4)sc3n2)CC1 ZINC000072414065 216205179 /nfs/dbraw/zinc/20/51/79/216205179.db2.gz ZUQCPQSQFQNCKQ-UHFFFAOYSA-O 0 0 327.433 2.006 40 0 EEABRN CCn1ccc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)n1 ZINC000028239463 212609452 /nfs/dbraw/zinc/60/94/52/212609452.db2.gz RRRPHEVGRFBFIX-UHFFFAOYSA-N 0 0 325.372 2.409 40 0 EEABRN Cc1ccc(-c2nc(CNC(=O)COC[C@@H]3CCCO3)co2)cc1 ZINC000073301108 216375233 /nfs/dbraw/zinc/37/52/33/216375233.db2.gz OUTFDILNEJQYAD-INIZCTEOSA-N 0 0 330.384 2.462 40 0 EEABRN C[C@H]1CCN(Cc2c(C3CC3)nc3sccn23)CCS1(=O)=O ZINC000192051380 239468788 /nfs/dbraw/zinc/46/87/88/239468788.db2.gz RXESAWZHAKKRAY-NSHDSACASA-N 0 0 339.486 2.282 40 0 EEABRN CC(=O)NC(C)(C)c1noc(-c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000193205451 240059613 /nfs/dbraw/zinc/05/96/13/240059613.db2.gz NPTKIIGOBBIDAT-UHFFFAOYSA-N 0 0 342.399 2.481 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000195553103 241002381 /nfs/dbraw/zinc/00/23/81/241002381.db2.gz IKECRPQBIBHDAQ-KWBADKCTSA-N 0 0 347.381 2.395 40 0 EEABRN CC(=O)N1CCN(C(=O)CSCc2ccc(F)c(Cl)c2)CC1 ZINC000195576834 241022041 /nfs/dbraw/zinc/02/20/41/241022041.db2.gz AJLVNYUTCWCMMU-UHFFFAOYSA-N 0 0 344.839 2.403 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O)cc1C ZINC000225457344 241873524 /nfs/dbraw/zinc/87/35/24/241873524.db2.gz ABRUIDDLLZQZCB-SWLSCSKDSA-N 0 0 344.333 2.384 40 0 EEABRN COCCCN(C)C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000225538956 241918674 /nfs/dbraw/zinc/91/86/74/241918674.db2.gz VVLYDRONBNHJTG-UHFFFAOYSA-N 0 0 326.466 2.416 40 0 EEABRN COc1cncc(O[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000225497398 241899418 /nfs/dbraw/zinc/89/94/18/241899418.db2.gz NNPFZCYJSYFRCL-GFCCVEGCSA-N 0 0 333.413 2.159 40 0 EEABRN O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1CCCC12OCCO2 ZINC000225802741 242043870 /nfs/dbraw/zinc/04/38/70/242043870.db2.gz HLYXGBBNOOJVQL-HNNXBMFYSA-N 0 0 342.399 2.003 40 0 EEABRN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@@H]1CCCO1 ZINC000225757642 242020119 /nfs/dbraw/zinc/02/01/19/242020119.db2.gz XYCSQBUFJRAZNE-AWEZNQCLSA-N 0 0 346.456 2.402 40 0 EEABRN Cc1cc(NC(=O)COc2nn(-c3ccccc3)cc2C)n(C)n1 ZINC000226852079 242118296 /nfs/dbraw/zinc/11/82/96/242118296.db2.gz JVBDYZKFSFCEMO-UHFFFAOYSA-N 0 0 325.372 2.240 40 0 EEABRN Cn1ccc(CNC(=O)C(C)(C)Oc2ccn(-c3ccccc3)n2)n1 ZINC000227159853 242125279 /nfs/dbraw/zinc/12/52/79/242125279.db2.gz WBOKYAFBGCGYQC-UHFFFAOYSA-N 0 0 339.399 2.080 40 0 EEABRN Cc1noc([C@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2c2ccccc2)n1 ZINC000240104285 242966552 /nfs/dbraw/zinc/96/65/52/242966552.db2.gz UOONWJMAOSDWLZ-CABCVRRESA-N 0 0 333.413 2.053 40 0 EEABRN NS(=O)(=O)c1cccc2c1CCCN2Cc1ncc(C2CC2)o1 ZINC000242284665 243015192 /nfs/dbraw/zinc/01/51/92/243015192.db2.gz YISAKKZOGZVWSB-UHFFFAOYSA-N 0 0 333.413 2.152 40 0 EEABRN CN(Cc1ncon1)C(=O)[C@]1(C)CCCCN1C(=O)c1ccccc1 ZINC000241719907 242999242 /nfs/dbraw/zinc/99/92/42/242999242.db2.gz QQRZEDBGBRAOAB-SFHVURJKSA-N 0 0 342.399 2.113 40 0 EEABRN Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1C ZINC000246489536 243261572 /nfs/dbraw/zinc/26/15/72/243261572.db2.gz NOUMYBMGJMSLCL-XIRDDKMYSA-N 0 0 345.443 2.183 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2cccn2[C@H](COc2ccccn2)C1 ZINC000248069752 243516877 /nfs/dbraw/zinc/51/68/77/243516877.db2.gz YBAKZIPRAVBLRX-HNNXBMFYSA-N 0 0 338.367 2.456 40 0 EEABRN O=C(NCCc1nccs1)NCc1ccn(Cc2ccccc2)n1 ZINC000252481510 243768739 /nfs/dbraw/zinc/76/87/39/243768739.db2.gz CNHJBSMQYDLCCL-UHFFFAOYSA-N 0 0 341.440 2.430 40 0 EEABRN CCS(=O)(=O)c1ccc(N2CCC(Nc3cnccn3)CC2)cc1 ZINC000253418360 243945577 /nfs/dbraw/zinc/94/55/77/243945577.db2.gz NIABFQBAVKMTAS-UHFFFAOYSA-N 0 0 346.456 2.351 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1Cl ZINC000253473519 244000138 /nfs/dbraw/zinc/00/01/38/244000138.db2.gz VSSHXGLTDBGVAA-KCPJHIHWSA-N 0 0 345.848 2.263 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)cc(C)n2n1 ZINC000257199595 244115941 /nfs/dbraw/zinc/11/59/41/244115941.db2.gz AABDURRHVWRTMZ-UHFFFAOYSA-N 0 0 338.415 2.099 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257200625 244118468 /nfs/dbraw/zinc/11/84/68/244118468.db2.gz AECPSNFDLZLTLI-CQSZACIVSA-N 0 0 328.420 2.361 40 0 EEABRN Cc1cncc(C(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)c1 ZINC000257207421 244141158 /nfs/dbraw/zinc/14/11/58/244141158.db2.gz BHRLLVSESKZVCI-KRWDZBQOSA-N 0 0 325.416 2.219 40 0 EEABRN Cc1ncsc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257209899 244145180 /nfs/dbraw/zinc/14/51/80/244145180.db2.gz BSIOOTPSPNBVAR-RBSFLKMASA-N 0 0 332.425 2.494 40 0 EEABRN Cc1cc(C[C@H]2COCCN(C(=O)CCc3cccs3)C2)ncn1 ZINC000257212497 244151895 /nfs/dbraw/zinc/15/18/95/244151895.db2.gz CDSAIICXBGWVQY-OAHLLOKOSA-N 0 0 345.468 2.497 40 0 EEABRN COCC(=O)N1CCO[C@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257213734 244159114 /nfs/dbraw/zinc/15/91/14/244159114.db2.gz CIWSFDJJSNQUKE-ZDUSSCGKSA-N 0 0 348.428 2.136 40 0 EEABRN CCn1nccc1-c1cc([C@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257223656 244192529 /nfs/dbraw/zinc/19/25/29/244192529.db2.gz DYIRYYKBMXLUNN-AWEZNQCLSA-N 0 0 334.445 2.104 40 0 EEABRN COc1ccc([C@H]2Cn3ccnc3CN2C(=O)c2ccnc(C)n2)cc1 ZINC000257230827 244212302 /nfs/dbraw/zinc/21/23/02/244212302.db2.gz GECAIIOTVJFVJN-QGZVFWFLSA-N 0 0 349.394 2.387 40 0 EEABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cncs2)ccn1 ZINC000257221268 244184332 /nfs/dbraw/zinc/18/43/32/244184332.db2.gz DOFMTZPAHGZIKG-AWEZNQCLSA-N 0 0 330.413 2.152 40 0 EEABRN CC(C)n1nccc1-c1cncc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257240231 244240768 /nfs/dbraw/zinc/24/07/68/244240768.db2.gz HSQZSYXZSHWYOW-AWEZNQCLSA-N 0 0 335.433 2.018 40 0 EEABRN COc1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)cn1 ZINC000257240531 244242751 /nfs/dbraw/zinc/24/27/51/244242751.db2.gz HTYYQMLYCMAXCZ-CYJAXWMASA-N 0 0 343.427 2.094 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257241316 244243629 /nfs/dbraw/zinc/24/36/29/244243629.db2.gz HXPROYBHJPALSN-KRWDZBQOSA-N 0 0 348.406 2.499 40 0 EEABRN CNC(=O)C1(CCCc2ccccn2)CCN(c2ncccn2)CC1 ZINC000257246876 244259028 /nfs/dbraw/zinc/25/90/28/244259028.db2.gz IWFNLOPMZOSAHR-UHFFFAOYSA-N 0 0 339.443 2.227 40 0 EEABRN O=C(CC1(O)CCCCC1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257248050 244261083 /nfs/dbraw/zinc/26/10/83/244261083.db2.gz JBULKCKNOHTGDO-CQSZACIVSA-N 0 0 333.432 2.072 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)C1CCCCC1 ZINC000020013323 212093844 /nfs/dbraw/zinc/09/38/44/212093844.db2.gz YKSRAZKYZCLCPC-UHFFFAOYSA-N 0 0 346.399 2.498 40 0 EEABRN O=C(C1CCC(F)(F)CC1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257292714 244439575 /nfs/dbraw/zinc/43/95/75/244439575.db2.gz QMQQRGIYCUKILU-HUUCEWRRSA-N 0 0 325.355 2.463 40 0 EEABRN CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930706 212085734 /nfs/dbraw/zinc/08/57/34/212085734.db2.gz GOGBIYREYUBBJU-ZDUSSCGKSA-N 0 0 338.473 2.365 40 0 EEABRN CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(C)=O)C3)ccc2c1N ZINC000257319896 244515635 /nfs/dbraw/zinc/51/56/35/244515635.db2.gz VUNOESKSLWNKCF-KRWDZBQOSA-N 0 0 346.456 2.138 40 0 EEABRN CC(=O)N1CC[C@H](Cc2nccnc2C(=O)N2CCCCCCC2)C1 ZINC000257328372 244539479 /nfs/dbraw/zinc/53/94/79/244539479.db2.gz XFIREUNLEBSTLO-MRXNPFEDSA-N 0 0 344.459 2.294 40 0 EEABRN Cc1nccn1CCC1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000019713959 212056974 /nfs/dbraw/zinc/05/69/74/212056974.db2.gz XDKJRIIAUXWJGO-UHFFFAOYSA-N 0 0 329.448 2.497 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1ccnc2ncnn21 ZINC000019569586 212044273 /nfs/dbraw/zinc/04/42/73/212044273.db2.gz ARWRGNHUSXLVMU-AWEZNQCLSA-N 0 0 337.383 2.039 40 0 EEABRN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC2CCOCC2)n1 ZINC000019457447 212029949 /nfs/dbraw/zinc/02/99/49/212029949.db2.gz RZQNASAWIGSYHK-SNVBAGLBSA-N 0 0 337.811 2.014 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077939521 217003384 /nfs/dbraw/zinc/00/33/84/217003384.db2.gz GBIHROAXDSVTJD-GXFFZTMASA-N 0 0 344.333 2.311 40 0 EEABRN COCCCNC(=O)[C@H](C)[S@](=O)Cc1csc(C(C)C)n1 ZINC000078394694 217047218 /nfs/dbraw/zinc/04/72/18/217047218.db2.gz MINSWJVDJGSKHF-MQJDWESPSA-N 0 0 332.491 2.056 40 0 EEABRN CCOc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000078556369 217075956 /nfs/dbraw/zinc/07/59/56/217075956.db2.gz SCNMHQYHFYBPMI-LLVKDONJSA-N 0 0 338.385 2.183 40 0 EEABRN Cc1nc(CN(C)C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cs1 ZINC000078603094 217084413 /nfs/dbraw/zinc/08/44/13/217084413.db2.gz TUTNUIAMUFVUMA-GFCCVEGCSA-N 0 0 341.502 2.358 40 0 EEABRN COc1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000078997738 217170111 /nfs/dbraw/zinc/17/01/11/217170111.db2.gz JDYSAHJCELSIKV-MRXNPFEDSA-N 0 0 342.370 2.299 40 0 EEABRN Cc1cc(C)n(-c2cncc(N3CCC(C(=O)NC(C)C)CC3)n2)n1 ZINC000078979755 217164146 /nfs/dbraw/zinc/16/41/46/217164146.db2.gz MEQJQOXFKGHIIM-UHFFFAOYSA-N 0 0 342.447 2.020 40 0 EEABRN Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000079029011 217177968 /nfs/dbraw/zinc/17/79/68/217177968.db2.gz OKPWJEOGOWLUHD-HNNXBMFYSA-N 0 0 334.322 2.062 40 0 EEABRN O=C1[C@H](N2CCN(Cc3cccnc3)CC2)CCN1c1ccccc1 ZINC000079035282 217178536 /nfs/dbraw/zinc/17/85/36/217178536.db2.gz ORJGKEYQKAMNAH-LJQANCHMSA-N 0 0 336.439 2.005 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(F)c(F)c(F)c1)C1CC1 ZINC000079094013 217190023 /nfs/dbraw/zinc/19/00/23/217190023.db2.gz CCVJMHKZQOHCFY-MRVPVSSYSA-N 0 0 335.347 2.142 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(F)c(F)c(F)c1)C1CC1 ZINC000079094008 217190661 /nfs/dbraw/zinc/19/06/61/217190661.db2.gz CCVJMHKZQOHCFY-QMMMGPOBSA-N 0 0 335.347 2.142 40 0 EEABRN CC(C)N(CC(=O)N(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000079090594 217190757 /nfs/dbraw/zinc/19/07/57/217190757.db2.gz PALDWGWKPDIBCZ-UHFFFAOYSA-N 0 0 331.460 2.359 40 0 EEABRN CC(C)[N@@H+](CC(=O)[O-])C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391582 217218911 /nfs/dbraw/zinc/21/89/11/217218911.db2.gz PDKRDLHQXMIYOJ-INIZCTEOSA-N 0 0 334.416 2.440 40 0 EEABRN CNC(=O)c1cccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c1 ZINC000080414760 217302482 /nfs/dbraw/zinc/30/24/82/217302482.db2.gz BORLDIKAQAMILK-UHFFFAOYSA-N 0 0 344.333 2.230 40 0 EEABRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000081173396 217368101 /nfs/dbraw/zinc/36/81/01/217368101.db2.gz DXDREUAUTPGOTF-LSDHHAIUSA-N 0 0 348.447 2.168 40 0 EEABRN Cc1cc(CC(=O)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)no1 ZINC000081301461 217381087 /nfs/dbraw/zinc/38/10/87/217381087.db2.gz NGYZDTCCVYNXRN-HNNXBMFYSA-N 0 0 333.432 2.023 40 0 EEABRN CO[C@H](CNC(=O)C1CCN(C(C)=O)CC1)c1cccc(Cl)c1 ZINC000081327868 217382549 /nfs/dbraw/zinc/38/25/49/217382549.db2.gz GUNOLYBCPOFVFW-MRXNPFEDSA-N 0 0 338.835 2.402 40 0 EEABRN COc1cccc([C@H](C)N2CCN(C(=O)Cc3cc(C)on3)CC2)c1 ZINC000081349262 217386142 /nfs/dbraw/zinc/38/61/42/217386142.db2.gz ODGMFYCIERRGLT-HNNXBMFYSA-N 0 0 343.427 2.440 40 0 EEABRN O=C(Cc1ccsc1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365072 211356861 /nfs/dbraw/zinc/35/68/61/211356861.db2.gz FXRPWDIMIWZULQ-LBPRGKRZSA-N 0 0 327.413 2.363 40 0 EEABRN COCCC(=O)NCCc1nc(C(C)C)ncc1-c1cc(C)no1 ZINC000012337741 211351400 /nfs/dbraw/zinc/35/14/00/211351400.db2.gz OMEDFECJSJFALP-UHFFFAOYSA-N 0 0 332.404 2.259 40 0 EEABRN CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21 ZINC000012131833 211302212 /nfs/dbraw/zinc/30/22/12/211302212.db2.gz FUERCYLFIYDITJ-UHFFFAOYSA-N 0 0 342.399 2.285 40 0 EEABRN O=C(C1CCOCC1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012121911 211300066 /nfs/dbraw/zinc/30/00/66/211300066.db2.gz HRZGFKRAOQRXCV-UHFFFAOYSA-N 0 0 331.412 2.383 40 0 EEABRN CCc1nn(CC(=O)N2CCCCC2)c(=O)c2cc3ccsc3n21 ZINC000012114255 211292746 /nfs/dbraw/zinc/29/27/46/211292746.db2.gz VMBLDEBMQBNSOG-UHFFFAOYSA-N 0 0 344.440 2.286 40 0 EEABRN C[C@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000012116842 211295350 /nfs/dbraw/zinc/29/53/50/211295350.db2.gz NOCAUZOBZDWKNP-DYZYQPBXSA-N 0 0 342.374 2.482 40 0 EEABRN Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115230 211293765 /nfs/dbraw/zinc/29/37/65/211293765.db2.gz QTFYPECTDYPZFS-NSHDSACASA-N 0 0 344.440 2.420 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2F)c1=O ZINC000012146585 211306126 /nfs/dbraw/zinc/30/61/26/211306126.db2.gz XWCYFQLBXKCROH-UHFFFAOYSA-N 0 0 344.371 2.332 40 0 EEABRN CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)c1cccs1 ZINC000012084752 211288651 /nfs/dbraw/zinc/28/86/51/211288651.db2.gz GWFQPZDVFPMMFY-NSHDSACASA-N 0 0 328.397 2.062 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000010673371 211185437 /nfs/dbraw/zinc/18/54/37/211185437.db2.gz CRKLFAKUDCNHSM-CQSZACIVSA-N 0 0 342.395 2.469 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000010150731 211149847 /nfs/dbraw/zinc/14/98/47/211149847.db2.gz PLVRVWGRPZWZOJ-SJORKVTESA-N 0 0 328.412 2.375 40 0 EEABRN Cc1c(C(=O)N[C@@H]2CCCOC2)nnn1-c1ccc(Cl)cc1F ZINC000095401645 218336478 /nfs/dbraw/zinc/33/64/78/218336478.db2.gz PVFIOAJOYTUKSC-LLVKDONJSA-N 0 0 338.770 2.277 40 0 EEABRN Cc1nc(C)c(C)c(N2CCC(NC(=O)c3cccnc3)CC2)n1 ZINC000095416510 218354841 /nfs/dbraw/zinc/35/48/41/218354841.db2.gz NUBGWNQUDIAHJX-UHFFFAOYSA-N 0 0 325.416 2.196 40 0 EEABRN Cc1nc(CO[C@@H]2CN(Cc3cnn(C)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042493 218526325 /nfs/dbraw/zinc/52/63/25/218526325.db2.gz MXQZWCOBUSHXHF-ZACQAIPSSA-N 0 0 348.472 2.134 40 0 EEABRN O=C(N[C@@H]1CCC12CCN(Cc1nccs1)CC2)c1cnccn1 ZINC000096051486 218541117 /nfs/dbraw/zinc/54/11/17/218541117.db2.gz SWSXMBLKVNJDBZ-CQSZACIVSA-N 0 0 343.456 2.108 40 0 EEABRN CCc1cnc(N2CC[C@@]3(CCN(Cc4ccccn4)C3=O)C2)nc1 ZINC000096063219 218557731 /nfs/dbraw/zinc/55/77/31/218557731.db2.gz VAHFSGRHSNTIQA-IBGZPJMESA-N 0 0 337.427 2.063 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000096186470 218652997 /nfs/dbraw/zinc/65/29/97/218652997.db2.gz CNFJUXHTZJXTDX-HOTGVXAUSA-N 0 0 341.436 2.482 40 0 EEABRN Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccsc4)CC[C@H]32)o1 ZINC000096206693 218679781 /nfs/dbraw/zinc/67/97/81/218679781.db2.gz FGMARBYLDKTAAP-KFWWJZLASA-N 0 0 347.440 2.088 40 0 EEABRN Cc1ccc(=O)n(CC(=O)N(CC(F)(F)F)c2ccccc2)n1 ZINC000096409890 218763235 /nfs/dbraw/zinc/76/32/35/218763235.db2.gz XCASNPDRTIHDGN-UHFFFAOYSA-N 0 0 325.290 2.147 40 0 EEABRN CCc1noc(CN(C)S(=O)(=O)Cc2cccc3cccnc32)n1 ZINC000096410378 218764172 /nfs/dbraw/zinc/76/41/72/218764172.db2.gz CRYFLMNCOSJLQK-UHFFFAOYSA-N 0 0 346.412 2.142 40 0 EEABRN O=C(CN(Cc1cccnc1)c1ccccc1)N1CCc2n[nH]cc2C1 ZINC000096411209 218766102 /nfs/dbraw/zinc/76/61/02/218766102.db2.gz CQSXOEUDJYEUBF-UHFFFAOYSA-N 0 0 347.422 2.396 40 0 EEABRN CC(C)COc1ccc([C@@H](C)NC(=O)N2CCO[C@H](CO)C2)cc1 ZINC000268364701 251857741 /nfs/dbraw/zinc/85/77/41/251857741.db2.gz VDGCROHFNOWMDL-PBHICJAKSA-N 0 0 336.432 2.185 40 0 EEABRN CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000096434342 218811114 /nfs/dbraw/zinc/81/11/14/218811114.db2.gz KEXMJXVHEGXTCN-INIZCTEOSA-N 0 0 341.415 2.016 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](Cn2nc(-c3ccco3)oc2=O)C1 ZINC000096494608 218872992 /nfs/dbraw/zinc/87/29/92/218872992.db2.gz QTCFLWFGWRJPQJ-NSHDSACASA-N 0 0 335.360 2.353 40 0 EEABRN COC(C)(C)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000096494911 218873118 /nfs/dbraw/zinc/87/31/18/218873118.db2.gz WFHLXJSQAOIHFF-LBPRGKRZSA-N 0 0 328.771 2.126 40 0 EEABRN C[S@@](=O)c1nncn1-c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000096501074 218877637 /nfs/dbraw/zinc/87/76/37/218877637.db2.gz YTQMBRVBLKBANP-FQEVSTJZSA-N 0 0 328.184 2.255 40 0 EEABRN Cc1nc2c(nnn2Cc2ccc(F)cc2)c(NCCCCCO)n1 ZINC000004985351 210349448 /nfs/dbraw/zinc/34/94/48/210349448.db2.gz DBYHOAXXMIJRSU-UHFFFAOYSA-N 0 0 344.394 2.292 40 0 EEABRN Cc1ccc(O)c(NC(=O)C[C@H]([NH2+]Cc2ccccc2)C(=O)[O-])c1 ZINC000004939788 210331027 /nfs/dbraw/zinc/33/10/27/210331027.db2.gz VSZDKGPNKANBBC-HNNXBMFYSA-N 0 0 328.368 2.272 40 0 EEABRN Cc1nonc1NC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000097232567 219001367 /nfs/dbraw/zinc/00/13/67/219001367.db2.gz PEDHCPYGZNYCLC-LURJTMIESA-N 0 0 331.298 2.496 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000187492312 533143732 /nfs/dbraw/zinc/14/37/32/533143732.db2.gz LBYUAIXHBDULPO-ZDUSSCGKSA-N 0 0 343.431 2.474 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2cnccn2)C1 ZINC000225793119 257844458 /nfs/dbraw/zinc/84/44/58/257844458.db2.gz WHAMAAYXFBACQG-SECBINFHSA-N 0 0 338.161 2.126 40 0 EEABRN CC(C)CN1CC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2nccs2)C1=O ZINC000306127892 257919485 /nfs/dbraw/zinc/91/94/85/257919485.db2.gz GKBFGWNIUPFZJS-KBXCAEBGSA-N 0 0 347.484 2.354 40 0 EEABRN COc1ncccc1C(=O)CSc1nc2ccsc2c(=O)n1C ZINC000330033217 258002217 /nfs/dbraw/zinc/00/22/17/258002217.db2.gz XLUFFYBZWFIEJN-UHFFFAOYSA-N 0 0 347.421 2.374 40 0 EEABRN COc1cccc(CC(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000131233016 533447852 /nfs/dbraw/zinc/44/78/52/533447852.db2.gz RGPRCHMLSQCJNG-MRXNPFEDSA-N 0 0 325.412 2.418 40 0 EEABRN CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945897 132198280 /nfs/dbraw/zinc/19/82/80/132198280.db2.gz MJWWBWSPPBJCIH-QGZVFWFLSA-N 0 0 331.391 2.418 40 0 EEABRN Fc1ccc(N2CCN(Cc3nnnn3C3CCCC3)CC2)cc1 ZINC000035311196 132389439 /nfs/dbraw/zinc/38/94/39/132389439.db2.gz OZMZSIMIMNHUOF-UHFFFAOYSA-N 0 0 330.411 2.250 40 0 EEABRN COc1ccc(CC(=O)Nc2ccc(N3CCOCC3)nc2)cc1F ZINC000044895423 132416242 /nfs/dbraw/zinc/41/62/42/132416242.db2.gz MKTGVVCEJKMBKI-UHFFFAOYSA-N 0 0 345.374 2.247 40 0 EEABRN CS(=O)(=O)C1=C(N)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000000034308 286587234 /nfs/dbraw/zinc/58/72/34/286587234.db2.gz UYLQKJDSXFIUIO-OAHLLOKOSA-N 0 0 346.383 2.129 40 0 EEABRN C[C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)[C@H](c2ccco2)C1 ZINC000245312457 287524407 /nfs/dbraw/zinc/52/44/07/287524407.db2.gz JIYSYMGFTJNXEE-MCIONIFRSA-N 0 0 325.430 2.404 40 0 EEABRN CC(C)(O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000191794107 277310654 /nfs/dbraw/zinc/31/06/54/277310654.db2.gz KEXBBZWRZXTBQW-GFCCVEGCSA-N 0 0 328.206 2.120 40 0 EEABRN CCCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)n[nH]1 ZINC000096426472 278984208 /nfs/dbraw/zinc/98/42/08/278984208.db2.gz FXTFGRVFTMBZDR-HNNXBMFYSA-N 0 0 341.415 2.391 40 0 EEABRN O=S1(=O)N=C(Cl)Nc2c(I)cccc21 ZINC000095096727 280351828 /nfs/dbraw/zinc/35/18/28/280351828.db2.gz VASKPGIUYAPHMN-UHFFFAOYSA-N 0 0 342.545 2.000 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C ZINC000071195644 280359846 /nfs/dbraw/zinc/35/98/46/280359846.db2.gz AMCAHRPIJSIICL-AWEZNQCLSA-N 0 0 336.399 2.117 40 0 EEABRN CC1(C)CCN(C(=O)N[C@@H]2CCCc3occc32)CCS1(=O)=O ZINC000193465949 281078998 /nfs/dbraw/zinc/07/89/98/281078998.db2.gz HTDQPDBXTVZVHY-CYBMUJFWSA-N 0 0 340.445 2.266 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@H]1c1cnco1 ZINC000248048720 297301632 /nfs/dbraw/zinc/30/16/32/297301632.db2.gz WZGNVQMAXGBYJB-PJQXDXOGSA-N 0 0 339.395 2.464 40 0 EEABRN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CCOC(C)C ZINC000096405538 302745952 /nfs/dbraw/zinc/74/59/52/302745952.db2.gz OBJVBRBDDYRUCX-OAHLLOKOSA-N 0 0 343.493 2.395 40 0 EEABRN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)cn1 ZINC000057354965 302916327 /nfs/dbraw/zinc/91/63/27/302916327.db2.gz AIAWMYOLNJNYNR-BBRMVZONSA-N 0 0 330.363 2.107 40 0 EEABRN CN(c1c(F)cccc1C(N)=O)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000330847858 311792388 /nfs/dbraw/zinc/79/23/88/311792388.db2.gz MBSDOFUBJJUFSJ-JTQLQIEISA-N 0 0 330.381 2.044 40 0 EEABRN CN(C)C(=O)c1cncc(-c2ccc(NC[C@@H]3CCCO3)nc2)c1 ZINC000530250004 317704662 /nfs/dbraw/zinc/70/46/62/317704662.db2.gz KRBWYSVJOCESBV-INIZCTEOSA-N 0 0 326.400 2.436 40 0 EEABRN C[C@H]1OCC[C@H]1C(=O)NCCNc1cccc(Br)c1 ZINC000097233998 323321535 /nfs/dbraw/zinc/32/15/35/323321535.db2.gz WIMARHWQIVAOFE-ZWNOBZJWSA-N 0 0 327.222 2.402 40 0 EEABRN COC(=O)[C@@H](NCc1nncn1C)c1ccc(Cl)cc1Cl ZINC000097372221 323322062 /nfs/dbraw/zinc/32/20/62/323322062.db2.gz HTJDHTQXOCKPLQ-LBPRGKRZSA-N 0 0 329.187 2.126 40 0 EEABRN CN1CCN(c2ncc(NC(=O)c3ccc(F)cc3Cl)cn2)CC1 ZINC000085470463 462550683 /nfs/dbraw/zinc/55/06/83/462550683.db2.gz BURMHHSBCXVDED-UHFFFAOYSA-N 0 0 349.797 2.273 40 0 EEABRN COC(=O)c1ccc(NC(=O)N2CCN(CC(F)F)CC2)c(C)c1 ZINC000061767716 462600021 /nfs/dbraw/zinc/60/00/21/462600021.db2.gz JGGYHWBYWNUECB-UHFFFAOYSA-N 0 0 341.358 2.196 40 0 EEABRN Cc1ccc(OCc2cccc(C(=O)N3CCN(C)CC3)c2)cn1 ZINC000074685551 462625808 /nfs/dbraw/zinc/62/58/08/462625808.db2.gz PBVAOUXJUMSGOH-UHFFFAOYSA-N 0 0 325.412 2.357 40 0 EEABRN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccccc2O)CC1 ZINC000074759187 462631191 /nfs/dbraw/zinc/63/11/91/462631191.db2.gz FKHNDGNSKVIIDU-YOEHRIQHSA-N 0 0 333.432 2.181 40 0 EEABRN O=c1/c(=C\c2ccc(-c3cccc(Cl)c3)o2)sc2n1CCN=2 ZINC000005553021 462662965 /nfs/dbraw/zinc/66/29/65/462662965.db2.gz KDFHZMSUKBHLSA-NTEUORMPSA-N 0 0 330.796 2.285 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000006596987 462691939 /nfs/dbraw/zinc/69/19/39/462691939.db2.gz IYHONUKFFQKOMQ-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCOc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)cc1 ZINC000006679943 462695497 /nfs/dbraw/zinc/69/54/97/462695497.db2.gz KVXAXQSFPAWXMA-UHFFFAOYSA-N 0 0 340.426 2.355 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NC3CCCC3)cc2sc1=O ZINC000075433475 462717044 /nfs/dbraw/zinc/71/70/44/462717044.db2.gz SUAFBYSKMYFJTO-UHFFFAOYSA-N 0 0 326.443 2.304 40 0 EEABRN O=C(CCCc1ccccc1)Nc1cnc(N2CCOCC2)nc1 ZINC000065224990 462744220 /nfs/dbraw/zinc/74/42/20/462744220.db2.gz XBELJGAQZNFUHS-UHFFFAOYSA-N 0 0 326.400 2.275 40 0 EEABRN COc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000047276232 462764607 /nfs/dbraw/zinc/76/46/07/462764607.db2.gz SDTHWTUIQUHJRS-UHFFFAOYSA-N 0 0 340.423 2.457 40 0 EEABRN c1csc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)c1 ZINC000008274092 462776236 /nfs/dbraw/zinc/77/62/36/462776236.db2.gz JKIBHBLUFZJTEY-UHFFFAOYSA-N 0 0 326.341 2.353 40 0 EEABRN O=c1[nH]nc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1cccs1 ZINC000010297584 462815975 /nfs/dbraw/zinc/81/59/75/462815975.db2.gz CEMXKMZMCGIUQB-LBPRGKRZSA-N 0 0 339.340 2.185 40 0 EEABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000010332096 462817061 /nfs/dbraw/zinc/81/70/61/462817061.db2.gz YLUDAQOUPWRCMH-ZDUSSCGKSA-N 0 0 326.462 2.373 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012407006 462853198 /nfs/dbraw/zinc/85/31/98/462853198.db2.gz WIXFAUDAHMIAAV-GMTAPVOTSA-N 0 0 335.358 2.424 40 0 EEABRN COc1ccc(S[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 ZINC000048190260 462871787 /nfs/dbraw/zinc/87/17/87/462871787.db2.gz OQLDGYYCPXWWLI-AWEZNQCLSA-N 0 0 338.473 2.014 40 0 EEABRN Cc1cccc(NC(=O)CSCC(=O)N=c2sccn2C)c1 ZINC000012999957 462880178 /nfs/dbraw/zinc/88/01/78/462880178.db2.gz NICHXJAXQICRHA-BMRADRMJSA-N 0 0 335.454 2.194 40 0 EEABRN COC(=O)C1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1 ZINC000013646738 462898319 /nfs/dbraw/zinc/89/83/19/462898319.db2.gz UNKMILBCNRFISS-UHFFFAOYSA-N 0 0 335.400 2.266 40 0 EEABRN CCCc1nc2n(n1)[C@@H](c1cccnc1)C(C(=O)OCC)C(C)=N2 ZINC000013637131 462898533 /nfs/dbraw/zinc/89/85/33/462898533.db2.gz QGQQQUWRPXBJMM-HNNXBMFYSA-N 0 0 327.388 2.478 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c(Cl)c1 ZINC000013942781 462906445 /nfs/dbraw/zinc/90/64/45/462906445.db2.gz PEZDVAWZIJYNCI-QLFBSQMISA-N 0 0 335.835 2.376 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C)cc1 ZINC000016504581 462981656 /nfs/dbraw/zinc/98/16/56/462981656.db2.gz UQPFSZNKBRXQDE-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2OC)cc1 ZINC000019169209 463015958 /nfs/dbraw/zinc/01/59/58/463015958.db2.gz BSZZRHMEBFIFPN-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CCCNC(=O)CN1c2cc(Cl)ccc2C2=NCCCN2C1=O ZINC000019503642 463016931 /nfs/dbraw/zinc/01/69/31/463016931.db2.gz ZIPLOUROXDXDFI-UHFFFAOYSA-N 0 0 334.807 2.259 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1 ZINC000019947137 463022428 /nfs/dbraw/zinc/02/24/28/463022428.db2.gz ZGFDOZLYEDPRJW-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cccc(F)c2)c1 ZINC000024355235 463084185 /nfs/dbraw/zinc/08/41/85/463084185.db2.gz SSDPFYREBGFTNV-UHFFFAOYSA-N 0 0 337.372 2.433 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)no1 ZINC000096042181 463148320 /nfs/dbraw/zinc/14/83/20/463148320.db2.gz NSZUSVBFCLIYFE-OKZBNKHCSA-N 0 0 329.400 2.327 40 0 EEABRN CN1c2ccccc2C2(CCN(C(=O)c3cscn3)CC2)C1=O ZINC000096063583 463163090 /nfs/dbraw/zinc/16/30/90/463163090.db2.gz YPGSQCJAHGECSF-UHFFFAOYSA-N 0 0 327.409 2.294 40 0 EEABRN O=C(CCc1ccccc1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]21 ZINC000096064537 463163757 /nfs/dbraw/zinc/16/37/57/463163757.db2.gz XWVNZSYBSLYYAM-HLIPFELVSA-N 0 0 342.439 2.000 40 0 EEABRN Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)Cc3ccsc3)C2)o1 ZINC000096065662 463164592 /nfs/dbraw/zinc/16/45/92/463164592.db2.gz JCWQJLRRWVBODK-BFHYXJOUSA-N 0 0 333.413 2.156 40 0 EEABRN Cc1cccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC000096074837 463167620 /nfs/dbraw/zinc/16/76/20/463167620.db2.gz LXBXHIPVZTZKFB-LJQANCHMSA-N 0 0 339.443 2.051 40 0 EEABRN CC(C)NC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096075144 463169001 /nfs/dbraw/zinc/16/90/01/463169001.db2.gz PMNHYRMTOGDMCH-ACJLOTCBSA-N 0 0 345.399 2.184 40 0 EEABRN Cn1cncc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096082544 463170192 /nfs/dbraw/zinc/17/01/92/463170192.db2.gz MXKPMVVSWDMMLY-UKPHBRMFSA-N 0 0 348.472 2.073 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096089917 463170440 /nfs/dbraw/zinc/17/04/40/463170440.db2.gz BAERPHDFFFPRBL-HKUYNNGSSA-N 0 0 339.395 2.319 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCCn1ccc(C(F)(F)F)n1 ZINC000096098972 463172198 /nfs/dbraw/zinc/17/21/98/463172198.db2.gz NYZRZQOCAOGINO-NSHDSACASA-N 0 0 327.306 2.486 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096105790 463174268 /nfs/dbraw/zinc/17/42/68/463174268.db2.gz OTMSKCWVEKCFRR-AWEZNQCLSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079000059 463176813 /nfs/dbraw/zinc/17/68/13/463176813.db2.gz OVJGCMQQMJFEFF-IMJJTQAJSA-N 0 0 346.475 2.335 40 0 EEABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4nccn4C)C[C@H]3F)nc2c1 ZINC000096112321 463179669 /nfs/dbraw/zinc/17/96/69/463179669.db2.gz AYQDABMMKJWDQL-CJNGLKHVSA-N 0 0 343.406 2.344 40 0 biogenic,in-vitro EEABRN Cc1ccc(OC2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1 ZINC000096119417 463180901 /nfs/dbraw/zinc/18/09/01/463180901.db2.gz OOIITGAVGCBLMS-UHFFFAOYSA-N 0 0 345.374 2.373 40 0 EEABRN Cn1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1Cl ZINC000096181059 463193920 /nfs/dbraw/zinc/19/39/20/463193920.db2.gz JNHXWQMKOHXUPS-UHFFFAOYSA-N 0 0 336.798 2.171 40 0 EEABRN CCN1CCN(C(=O)CN2c3ccc(Cl)cc3C(C)(C)C2=O)CC1 ZINC000096181612 463194270 /nfs/dbraw/zinc/19/42/70/463194270.db2.gz YNECIZMXXNYEGX-UHFFFAOYSA-N 0 0 349.862 2.128 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)cn1 ZINC000096181249 463194496 /nfs/dbraw/zinc/19/44/96/463194496.db2.gz NGGNXKQLIMZNAV-NVXWUHKLSA-N 0 0 326.400 2.370 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccc(C)n2)no1 ZINC000096184756 463195443 /nfs/dbraw/zinc/19/54/43/463195443.db2.gz AGNLBAMBDRZJNQ-DLBZAZTESA-N 0 0 326.400 2.175 40 0 EEABRN O=C(CC1CC1)N1CCc2ccc(=O)n(Cc3cccnc3)c2CC1 ZINC000096196717 463201219 /nfs/dbraw/zinc/20/12/19/463201219.db2.gz IWXRCQWXSYNFBB-UHFFFAOYSA-N 0 0 337.423 2.019 40 0 EEABRN O=C(N[C@@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1)C1CC=CC1 ZINC000096196618 463201744 /nfs/dbraw/zinc/20/17/44/463201744.db2.gz OAQWQLFKYXQPAS-GOSISDBHSA-N 0 0 349.434 2.231 40 0 EEABRN CN(Cc1cn2c(n1)CN(c1ncc(F)cn1)CC2)Cc1ccco1 ZINC000096197473 463202810 /nfs/dbraw/zinc/20/28/10/463202810.db2.gz AAKKSKNVAHNIKE-UHFFFAOYSA-N 0 0 342.378 2.057 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H](OC)[C@@H]2Cc2cccnc2)cc1 ZINC000096200140 463205486 /nfs/dbraw/zinc/20/54/86/463205486.db2.gz XMUHKTAYYHKCLU-RBUKOAKNSA-N 0 0 340.423 2.491 40 0 EEABRN Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@@H]2C)cn1 ZINC000096201260 463205896 /nfs/dbraw/zinc/20/58/96/463205896.db2.gz QNXINUXCJLCRJP-AWEZNQCLSA-N 0 0 336.399 2.048 40 0 EEABRN C[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201745 463207324 /nfs/dbraw/zinc/20/73/24/463207324.db2.gz SRSUACXWQQMDTJ-FZKQIMNGSA-N 0 0 325.368 2.190 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)nc1 ZINC000096209847 463213220 /nfs/dbraw/zinc/21/32/20/463213220.db2.gz PTJYGYDXHHOSDM-JZXOWHBKSA-N 0 0 339.395 2.236 40 0 EEABRN Cn1cc(CN2CCOC[C@@H]2c2csc(N3CCCC3)n2)cn1 ZINC000096217897 463215166 /nfs/dbraw/zinc/21/51/66/463215166.db2.gz USLMSLRVKWBRBW-OAHLLOKOSA-N 0 0 333.461 2.050 40 0 EEABRN Cn1ccc(C(=O)N2CCC3(CCOC[C@H]3COCC3CC3)CC2)n1 ZINC000096218140 463215358 /nfs/dbraw/zinc/21/53/58/463215358.db2.gz OLUWLLMEBIMWSN-INIZCTEOSA-N 0 0 347.459 2.106 40 0 EEABRN Cc1cccc(N2CCC3(C[C@@H](Nc4ncccn4)CO3)CC2)n1 ZINC000096221568 463217805 /nfs/dbraw/zinc/21/78/05/463217805.db2.gz BVEIWOXHOSHAMA-OAHLLOKOSA-N 0 0 325.416 2.420 40 0 EEABRN c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2cnccn2)n1 ZINC000096250083 463227207 /nfs/dbraw/zinc/22/72/07/463227207.db2.gz CWCOHGRFXBFCCC-DVOMOZLQSA-N 0 0 332.429 2.134 40 0 EEABRN C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccn1 ZINC000096402242 463237105 /nfs/dbraw/zinc/23/71/05/463237105.db2.gz OEMOMOFGTCHJPF-CQSZACIVSA-N 0 0 339.395 2.465 40 0 EEABRN CCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000096409529 463242205 /nfs/dbraw/zinc/24/22/05/463242205.db2.gz KPTDMJOANBMZEZ-HNNXBMFYSA-N 0 0 335.423 2.135 40 0 EEABRN CCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2ccon2)c1C ZINC000096419522 463250756 /nfs/dbraw/zinc/25/07/56/463250756.db2.gz DATDKAXFCXQUEI-UHFFFAOYSA-N 0 0 340.449 2.347 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)[C@@H]2CCO[C@@H]21 ZINC000096421400 463252622 /nfs/dbraw/zinc/25/26/22/463252622.db2.gz OBJDPALTEJRCNP-BBWFWOEESA-N 0 0 340.427 2.485 40 0 EEABRN COc1cc(CNC(=O)CCc2nc(C)no2)c2ccccc2n1 ZINC000096425931 463255430 /nfs/dbraw/zinc/25/54/30/463255430.db2.gz AJVXFYHTYFKVNO-UHFFFAOYSA-N 0 0 326.356 2.184 40 0 EEABRN COC(CN1CCO[C@H](c2ccc(Br)cc2)C1)OC ZINC000136748742 463257261 /nfs/dbraw/zinc/25/72/61/463257261.db2.gz SUGFCBJVPYGRPA-ZDUSSCGKSA-N 0 0 330.222 2.441 40 0 EEABRN Cc1cc(NCc2nccn2CC(F)(F)F)ccc1-n1cnnn1 ZINC000096427410 463257289 /nfs/dbraw/zinc/25/72/89/463257289.db2.gz IINZEFKDGONITO-UHFFFAOYSA-N 0 0 337.309 2.342 40 0 EEABRN C[C@@](O)(CNS(=O)(=O)CCc1ccccc1)c1ccsc1 ZINC000096428199 463258366 /nfs/dbraw/zinc/25/83/66/463258366.db2.gz QNIBYCUZJBLXBX-OAHLLOKOSA-N 0 0 325.455 2.118 40 0 EEABRN CN1CCN(c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000096433552 463262586 /nfs/dbraw/zinc/26/25/86/463262586.db2.gz GXGVVVHOVMFMKA-UHFFFAOYSA-N 0 0 338.477 2.188 40 0 EEABRN CCN(Cc1ccoc1)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096436300 463263454 /nfs/dbraw/zinc/26/34/54/463263454.db2.gz DLMDHYQDDXRHAS-MRXNPFEDSA-N 0 0 340.379 2.147 40 0 EEABRN CCc1cc(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)n[nH]1 ZINC000096436242 463263831 /nfs/dbraw/zinc/26/38/31/463263831.db2.gz AGTBYMUTCKASRW-UHFFFAOYSA-N 0 0 330.363 2.419 40 0 EEABRN NC(=O)[C@@H](NCc1cscn1)c1ccc(Br)cc1F ZINC000096437039 463265055 /nfs/dbraw/zinc/26/50/55/463265055.db2.gz WUZGTRJJYCKICX-NSHDSACASA-N 0 0 344.209 2.361 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(N)cc1 ZINC000096519849 463293682 /nfs/dbraw/zinc/29/36/82/463293682.db2.gz IHAQBWKDZVIYQZ-UWVGGRQHSA-N 0 0 342.642 2.024 40 0 EEABRN O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCOCC1 ZINC000096444913 463269370 /nfs/dbraw/zinc/26/93/70/463269370.db2.gz NOUYCKOZALNWKB-UHFFFAOYSA-N 0 0 343.349 2.176 40 0 EEABRN C[S@](=O)C[C@@H](NC(=O)c1[nH]nc2ccccc21)c1ccccc1 ZINC000096445483 463269799 /nfs/dbraw/zinc/26/97/99/463269799.db2.gz BKQORIXNEIXTFC-IQMFZBJNSA-N 0 0 327.409 2.413 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000096448261 463271108 /nfs/dbraw/zinc/27/11/08/463271108.db2.gz SMNIBXHTYWCKLF-SECBINFHSA-N 0 0 332.372 2.394 40 0 EEABRN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)N1CCC[C@H](O)C1 ZINC000096459759 463277123 /nfs/dbraw/zinc/27/71/23/463277123.db2.gz HSRBPLQTVKXCMB-JKSUJKDBSA-N 0 0 348.834 2.292 40 0 EEABRN Cn1cc(-c2csc(NC(=O)[C@H]3CCCc4n[nH]cc43)n2)cn1 ZINC000096466373 463277903 /nfs/dbraw/zinc/27/79/03/463277903.db2.gz NTPJKDINXKWQRM-JTQLQIEISA-N 0 0 328.401 2.325 40 0 EEABRN COC(=O)[C@H](C)NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000096476446 463279946 /nfs/dbraw/zinc/27/99/46/463279946.db2.gz KIOLUVVLHDWVTA-BDAKNGLRSA-N 0 0 346.196 2.445 40 0 EEABRN Cn1cc(S(=O)(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cn1 ZINC000096487440 463285081 /nfs/dbraw/zinc/28/50/81/463285081.db2.gz XDDBGNSYKAIEDX-MRXNPFEDSA-N 0 0 346.387 2.022 40 0 EEABRN Cc1nc(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 ZINC000096490492 463287260 /nfs/dbraw/zinc/28/72/60/463287260.db2.gz XIFIBECQCJJPIT-TZMCWYRMSA-N 0 0 336.779 2.361 40 0 EEABRN O=C(NCCOCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]n1 ZINC000096494203 463288063 /nfs/dbraw/zinc/28/80/63/463288063.db2.gz HLRUSLCWCLQMGJ-UHFFFAOYSA-N 0 0 342.182 2.436 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000096494151 463288068 /nfs/dbraw/zinc/28/80/68/463288068.db2.gz BXHDWJXZZGZCDJ-HNNXBMFYSA-N 0 0 346.818 2.185 40 0 EEABRN O=C(Nc1cncnc1N1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000137302231 463288786 /nfs/dbraw/zinc/28/87/86/463288786.db2.gz PCCMQBXLAIVAAT-UHFFFAOYSA-N 0 0 337.383 2.214 40 0 EEABRN Cc1occc1CN(C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000096495483 463289013 /nfs/dbraw/zinc/28/90/13/463289013.db2.gz HIJVEEBYYBAAFN-QGZVFWFLSA-N 0 0 337.441 2.331 40 0 EEABRN O=C(CN1CCC(C(F)(F)F)CC1)N[C@@H]1COc2ccccc2C1 ZINC000096495957 463289049 /nfs/dbraw/zinc/28/90/49/463289049.db2.gz HPXQVQWXXLPHFX-AWEZNQCLSA-N 0 0 342.361 2.381 40 0 EEABRN O=C(N[C@H](c1ccc(Cl)cc1)[C@H]1CCOC1)N1CC[C@H](CO)C1 ZINC000096499843 463290681 /nfs/dbraw/zinc/29/06/81/463290681.db2.gz MSVJEQQYPTVHQS-DUVNUKRYSA-N 0 0 338.835 2.441 40 0 EEABRN Cc1nc(CNS(=O)(=O)c2cc(Cl)cc3c2OCC3)oc1C ZINC000096502143 463292638 /nfs/dbraw/zinc/29/26/38/463292638.db2.gz LBYFWEXDLOCOPC-UHFFFAOYSA-N 0 0 342.804 2.358 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccccc1F ZINC000096518164 463293617 /nfs/dbraw/zinc/29/36/17/463293617.db2.gz PFLCDPKCYBZVKF-VIFPVBQESA-N 0 0 329.574 2.341 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCCc1cc(F)cc(F)c1 ZINC000097095057 463321863 /nfs/dbraw/zinc/32/18/63/463321863.db2.gz PREJCIQHGQOWKY-LRDDRELGSA-N 0 0 342.386 2.079 40 0 EEABRN C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)N1CCOC[C@@H]1C ZINC000097104060 463324863 /nfs/dbraw/zinc/32/48/63/463324863.db2.gz WXOUGIXZRHVXFE-GJZGRUSLSA-N 0 0 327.428 2.003 40 0 EEABRN C[C@@H](NC(=O)c1ccc2nccn2c1)C1(N2CCOCC2)CCCC1 ZINC000097212823 463348750 /nfs/dbraw/zinc/34/87/50/463348750.db2.gz RYKUXNOZVIVHSH-OAHLLOKOSA-N 0 0 342.443 2.098 40 0 EEABRN Cc1ccccc1[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000069921556 463351977 /nfs/dbraw/zinc/35/19/77/463351977.db2.gz ODZDRLJPHRDWIG-GDBMZVCRSA-N 0 0 338.473 2.426 40 0 EEABRN C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000034598685 463428329 /nfs/dbraw/zinc/42/83/29/463428329.db2.gz PTWIWPBSPWMQEU-KGLIPLIRSA-N 0 0 336.432 2.309 40 0 EEABRN CCn1ncc(-c2cc(C(F)F)nc(N3CCN(C)CC3)n2)c1C ZINC000036618573 463437771 /nfs/dbraw/zinc/43/77/71/463437771.db2.gz LSSZWVXMJOMUPL-UHFFFAOYSA-N 0 0 336.390 2.358 40 0 EEABRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1cc(F)cc(Br)c1 ZINC000081638280 463475632 /nfs/dbraw/zinc/47/56/32/463475632.db2.gz DTABLBVWNMIEBJ-MRVPVSSYSA-N 0 0 346.200 2.434 40 0 EEABRN C[NH2+]C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040433989 463455712 /nfs/dbraw/zinc/45/57/12/463455712.db2.gz UDZVRDNZMFOMDK-KRWDZBQOSA-N 0 0 340.379 2.198 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](N(C)Cc3nccn3C)C2)c1 ZINC000081570783 463462470 /nfs/dbraw/zinc/46/24/70/463462470.db2.gz RSVFPATWWPAUDS-AWEZNQCLSA-N 0 0 330.432 2.148 40 0 EEABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000040717872 463464495 /nfs/dbraw/zinc/46/44/95/463464495.db2.gz LNKDVXBFTHWLSA-UHFFFAOYSA-N 0 0 343.349 2.492 40 0 EEABRN c1cnc(N2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)nc1 ZINC000072368932 463510163 /nfs/dbraw/zinc/51/01/63/463510163.db2.gz WIHRDMGPASXQRL-AWEZNQCLSA-N 0 0 348.414 2.259 40 0 EEABRN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000042646650 463582730 /nfs/dbraw/zinc/58/27/30/463582730.db2.gz AYDOZNCBKWRDOR-GFCCVEGCSA-N 0 0 326.352 2.274 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)CC2)[nH]n1 ZINC000108533741 463610812 /nfs/dbraw/zinc/61/08/12/463610812.db2.gz GSAOZEDOBKBPDG-UHFFFAOYSA-N 0 0 326.404 2.005 40 0 EEABRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000058668694 463616678 /nfs/dbraw/zinc/61/66/78/463616678.db2.gz CZGQVCUIRZJZBH-TZMCWYRMSA-N 0 0 346.456 2.226 40 0 EEABRN C[C@@H]1CCC[C@H](C)C12NC(=O)N(C[C@@H](O)COc1ccccc1)C2=O ZINC000109013502 463631136 /nfs/dbraw/zinc/63/11/36/463631136.db2.gz SUJKIRIBNZEYFA-LZYSYQLFSA-N 0 0 346.427 2.173 40 0 EEABRN Cc1sc2ccccc2c1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000084938516 463639013 /nfs/dbraw/zinc/63/90/13/463639013.db2.gz GVSLWJPBWAJASF-NSHDSACASA-N 0 0 338.454 2.109 40 0 EEABRN O=C(NCC1CCN(c2ncccn2)CC1)c1c(F)cccc1F ZINC000043976955 463663744 /nfs/dbraw/zinc/66/37/44/463663744.db2.gz CDPMTOJTFPGHBU-UHFFFAOYSA-N 0 0 332.354 2.401 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)n2cc(COc3ccccc3)nn2)no1 ZINC000257173646 463756266 /nfs/dbraw/zinc/75/62/66/463756266.db2.gz UGASMTFJHAWAIZ-GFCCVEGCSA-N 0 0 327.344 2.353 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2ccccn2)cc1 ZINC000257234049 463758748 /nfs/dbraw/zinc/75/87/48/463758748.db2.gz GRWOPQBPJKHYLE-LJQANCHMSA-N 0 0 325.412 2.496 40 0 EEABRN Cc1cc(Nc2ccnc(C[C@H]3CCN(C(=O)C4CC4)C3)n2)n[nH]1 ZINC000257282117 463760058 /nfs/dbraw/zinc/76/00/58/463760058.db2.gz OSJVLCGHLICCMN-GFCCVEGCSA-N 0 0 326.404 2.053 40 0 EEABRN O=C(Cn1ccnc1)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257280398 463760119 /nfs/dbraw/zinc/76/01/19/463760119.db2.gz OKRHKPVGKVDYAZ-INIZCTEOSA-N 0 0 338.411 2.082 40 0 EEABRN CCc1[nH]nc(C(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C(C)=O)c1C ZINC000257286586 463762714 /nfs/dbraw/zinc/76/27/14/463762714.db2.gz PMDNMAFGAGUBQR-QAPCUYQASA-N 0 0 332.448 2.286 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2Cc2cnc(C)nc2)n1 ZINC000257293544 463765811 /nfs/dbraw/zinc/76/58/11/463765811.db2.gz QPZOXUPMSDIBFK-GOSISDBHSA-N 0 0 325.416 2.153 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cnc(C)nc2)n1 ZINC000257293545 463766212 /nfs/dbraw/zinc/76/62/12/463766212.db2.gz QPZOXUPMSDIBFK-SFHVURJKSA-N 0 0 325.416 2.153 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)Cc3cccc(OC)c3)CCO2)n1 ZINC000257300310 463768840 /nfs/dbraw/zinc/76/88/40/463768840.db2.gz RTUMZTLXLDKICE-QGZVFWFLSA-N 0 0 341.411 2.275 40 0 EEABRN Cc1ncc(-c2ccc(C[C@H]3CCCN(S(C)(=O)=O)C3)cn2)n1C ZINC000257307517 463771718 /nfs/dbraw/zinc/77/17/18/463771718.db2.gz SYZNGAYYONVLNQ-OAHLLOKOSA-N 0 0 348.472 2.005 40 0 EEABRN O=C(COc1ccccc1F)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257307412 463772372 /nfs/dbraw/zinc/77/23/72/463772372.db2.gz SYNOXLKWVFKCLD-LBPRGKRZSA-N 0 0 331.347 2.106 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@H](c3ccnc(C)n3)C2)on1 ZINC000257325446 463777691 /nfs/dbraw/zinc/77/76/91/463777691.db2.gz WSYQVCIRCOSMDL-ZDUSSCGKSA-N 0 0 330.388 2.120 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)on1 ZINC000257325445 463777922 /nfs/dbraw/zinc/77/79/22/463777922.db2.gz WSYQVCIRCOSMDL-CYBMUJFWSA-N 0 0 330.388 2.120 40 0 EEABRN COCC(=O)N1CCC2(C[C@H](N(C)c3ccc(C)cc3)CO2)CC1 ZINC000257331296 463781070 /nfs/dbraw/zinc/78/10/70/463781070.db2.gz XSFOMUGZISXYKB-KRWDZBQOSA-N 0 0 332.444 2.228 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)nc(C)n1 ZINC000257334403 463782736 /nfs/dbraw/zinc/78/27/36/463782736.db2.gz YFSUVNGZXOTFNI-OAHLLOKOSA-N 0 0 337.387 2.075 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)n1 ZINC000257333232 463783154 /nfs/dbraw/zinc/78/31/54/463783154.db2.gz YATHEZBMHJPMPD-OAHLLOKOSA-N 0 0 328.420 2.155 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CCO2)ccn1 ZINC000257345069 463787055 /nfs/dbraw/zinc/78/70/55/463787055.db2.gz ZZUSQVSNRVXCAI-GOSISDBHSA-N 0 0 349.394 2.389 40 0 EEABRN O=C(CCc1cccc(F)c1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257344190 463788148 /nfs/dbraw/zinc/78/81/48/463788148.db2.gz ZWCNQRIWIAUGRM-MRXNPFEDSA-N 0 0 343.402 2.266 40 0 EEABRN O=C(NCc1cc2cc(F)ccc2s1)N[C@H]1CCc2ncnn2C1 ZINC000171869106 463939865 /nfs/dbraw/zinc/93/98/65/463939865.db2.gz UPRZKBKGPWIVTE-LBPRGKRZSA-N 0 0 345.403 2.446 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(=O)c1 ZINC000194840490 463941221 /nfs/dbraw/zinc/94/12/21/463941221.db2.gz FJFQHCWPXLEXKV-UKRRQHHQSA-N 0 0 332.425 2.207 40 0 EEABRN CCc1c[nH]c(S(=O)(=O)CC(=O)N[C@H](c2ccccc2)C2CC2)n1 ZINC000195056104 463982718 /nfs/dbraw/zinc/98/27/18/463982718.db2.gz UDLUWUUHGQFRFZ-MRXNPFEDSA-N 0 0 347.440 2.013 40 0 EEABRN C[C@H](C(=O)Nc1cc2c(cc1Br)CCC2)S(C)(=O)=O ZINC000195208723 464017187 /nfs/dbraw/zinc/01/71/87/464017187.db2.gz KXDPWKMIYSIPGE-MRVPVSSYSA-N 0 0 346.246 2.309 40 0 EEABRN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000195530066 464071786 /nfs/dbraw/zinc/07/17/86/464071786.db2.gz MJSYHBQDOSGQOS-XWIAVFTESA-N 0 0 343.448 2.494 40 0 EEABRN O=C(CN1CCOCC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000195554175 464076150 /nfs/dbraw/zinc/07/61/50/464076150.db2.gz UBDZFXOLNUCVKO-CYBMUJFWSA-N 0 0 336.741 2.392 40 0 EEABRN CCO[C@@H](C)c1noc(CNC(=O)NC2Cc3ccccc3C2)n1 ZINC000195563579 464077119 /nfs/dbraw/zinc/07/71/19/464077119.db2.gz FJMITABAEZAUMG-NSHDSACASA-N 0 0 330.388 2.134 40 0 EEABRN CC(C)c1nnc(CNS(=O)(=O)Cc2ccccc2Cl)n1C ZINC000195571831 464078669 /nfs/dbraw/zinc/07/86/69/464078669.db2.gz DVDKMGWKRQWHHD-UHFFFAOYSA-N 0 0 342.852 2.212 40 0 EEABRN O=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)c1cccs1 ZINC000195574197 464080206 /nfs/dbraw/zinc/08/02/06/464080206.db2.gz LZFBFLIVXUIJIP-UHFFFAOYSA-N 0 0 334.426 2.054 40 0 EEABRN Cn1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000179368416 464121589 /nfs/dbraw/zinc/12/15/89/464121589.db2.gz ADDSMNROZGFUDC-QGZVFWFLSA-N 0 0 348.406 2.400 40 0 EEABRN COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1 ZINC000225128107 464152772 /nfs/dbraw/zinc/15/27/72/464152772.db2.gz NJILGEPDTQXPHF-UHFFFAOYSA-N 0 0 341.410 2.125 40 0 EEABRN COC(=O)CN(Cc1ccc(Br)o1)C1CCOCC1 ZINC000225394814 464156662 /nfs/dbraw/zinc/15/66/62/464156662.db2.gz HCGKQRNXCPXCGM-UHFFFAOYSA-N 0 0 332.194 2.196 40 0 EEABRN COc1cncc(O[C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 ZINC000225498574 464166406 /nfs/dbraw/zinc/16/64/06/464166406.db2.gz VXIICSOLYUUPQF-GFCCVEGCSA-N 0 0 344.371 2.034 40 0 EEABRN O=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000225574587 464173335 /nfs/dbraw/zinc/17/33/35/464173335.db2.gz HGWLZEHUNLLSNQ-UHFFFAOYSA-N 0 0 348.359 2.450 40 0 EEABRN COCCOc1nn(C)c2ccc(I)cc21 ZINC000225774875 464181548 /nfs/dbraw/zinc/18/15/48/464181548.db2.gz KLOKGNNZYJFMDM-UHFFFAOYSA-N 0 0 332.141 2.203 40 0 EEABRN Cc1ncn(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c(=O)c1C ZINC000188211393 464225186 /nfs/dbraw/zinc/22/51/86/464225186.db2.gz UKFLDVNEZYIEKY-QGZVFWFLSA-N 0 0 325.412 2.396 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1F ZINC000189077358 464429259 /nfs/dbraw/zinc/42/92/59/464429259.db2.gz IVQRQRWEGOZGFU-HNNXBMFYSA-N 0 0 344.390 2.478 40 0 EEABRN Cc1nc(C(=O)NCc2nnc3c(C(F)(F)F)cccn23)cs1 ZINC000238880595 464440640 /nfs/dbraw/zinc/44/06/40/464440640.db2.gz PDPASENOCMTXGR-UHFFFAOYSA-N 0 0 341.318 2.443 40 0 EEABRN CCOC(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000239593100 464444547 /nfs/dbraw/zinc/44/45/47/464444547.db2.gz DOUWXIACUGHAON-UHFFFAOYSA-N 0 0 331.372 2.076 40 0 EEABRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1(S(C)(=O)=O)CCC1 ZINC000241262044 464451434 /nfs/dbraw/zinc/45/14/34/464451434.db2.gz LAWOIUGKOFLVAJ-ZBFHGGJFSA-N 0 0 335.469 2.433 40 0 EEABRN CCOC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242649253 464458673 /nfs/dbraw/zinc/45/86/73/464458673.db2.gz RYJHHJVKVKUJRY-KURKYZTESA-N 0 0 349.427 2.499 40 0 EEABRN C[C@@H]1OCC[C@@H]1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000245281219 464469870 /nfs/dbraw/zinc/46/98/70/464469870.db2.gz AJBHWWRHWLCQJB-OZVIIMIRSA-N 0 0 339.386 2.268 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000245339057 464471427 /nfs/dbraw/zinc/47/14/27/464471427.db2.gz QFNYDGPITDPECM-HRCADAONSA-N 0 0 334.460 2.099 40 0 EEABRN O=C(Nc1ccc(OC2CCCC2)nc1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000175317928 464525673 /nfs/dbraw/zinc/52/56/73/464525673.db2.gz RRHQYEBOOBNWRH-CYBMUJFWSA-N 0 0 344.415 2.288 40 0 EEABRN CC(C)n1ccc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 ZINC000265377615 464538715 /nfs/dbraw/zinc/53/87/15/464538715.db2.gz ZZWMKCSZIVWSCF-OAHLLOKOSA-N 0 0 327.432 2.378 40 0 EEABRN Cn1ccnc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248138981 464734184 /nfs/dbraw/zinc/73/41/84/464734184.db2.gz PPKNSRQIXOFBHT-JJRVBVJISA-N 0 0 348.472 2.073 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248936820 464822354 /nfs/dbraw/zinc/82/23/54/464822354.db2.gz CAWBNCNDPJCWCB-GXFFZTMASA-N 0 0 341.337 2.363 40 0 EEABRN CC(C)(C)c1csc([C@@H]2CN(c3ccc4nncn4n3)CCO2)n1 ZINC000295614941 464902945 /nfs/dbraw/zinc/90/29/45/464902945.db2.gz VQUNPANCUQOXTB-NSHDSACASA-N 0 0 344.444 2.456 40 0 EEABRN CCn1ncnc1C[NH2+][C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000252497119 464969604 /nfs/dbraw/zinc/96/96/04/464969604.db2.gz PZMVTSCWTVGGHR-PKOBYXMFSA-N 0 0 341.459 2.374 40 0 EEABRN C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCF ZINC000252496423 464969719 /nfs/dbraw/zinc/96/97/19/464969719.db2.gz PHVMEHIRUNHFAT-NXEZZACHSA-N 0 0 344.456 2.275 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@H]1c1ccc(Br)cc1 ZINC000252514980 464978171 /nfs/dbraw/zinc/97/81/71/464978171.db2.gz FQFLOGFOGDUONG-MXWKQRLJSA-N 0 0 348.287 2.252 40 0 EEABRN COc1nccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1 ZINC000253429798 465013379 /nfs/dbraw/zinc/01/33/79/465013379.db2.gz UPQOIOVXWQQLNA-OCCSQVGLSA-N 0 0 328.372 2.479 40 0 EEABRN CCn1cnc2c1ncnc2N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000253430809 465013530 /nfs/dbraw/zinc/01/35/30/465013530.db2.gz FYQHVZKVZUBRBY-AWEZNQCLSA-N 0 0 331.420 2.011 40 0 EEABRN Cn1ccc(N2CCC[C@@H](SCC(=O)Nc3ccccc3)C2=O)n1 ZINC000253433308 465015428 /nfs/dbraw/zinc/01/54/28/465015428.db2.gz VKNTYVJVEIDHSI-CQSZACIVSA-N 0 0 344.440 2.287 40 0 EEABRN Cc1n[nH]cc1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000298670222 465467594 /nfs/dbraw/zinc/46/75/94/465467594.db2.gz GJLAPHQSZOAYRH-UHFFFAOYSA-N 0 0 347.850 2.399 40 0 EEABRN Cn1nccc1C(=O)N1C[C@@H]2c3ncc(-c4ccsc4)n3C[C@@H]2C1 ZINC000306136769 466491466 /nfs/dbraw/zinc/49/14/66/466491466.db2.gz QCUCKULXDDTSNB-STQMWFEESA-N 0 0 339.424 2.215 40 0 EEABRN COc1cccc(CCC(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1F ZINC000390833148 467413924 /nfs/dbraw/zinc/41/39/24/467413924.db2.gz CUMDCDLLSKTLHY-VXESJHSGSA-N 0 0 327.421 2.135 40 0 EEABRN COC(=O)c1cc(NC(=O)Nc2cc(C)[nH]n2)cc(Cl)c1F ZINC000390835651 467414762 /nfs/dbraw/zinc/41/47/62/467414762.db2.gz UAXOUNRTTANWMQ-UHFFFAOYSA-N 0 0 326.715 2.941 40 0 EEABRN CSCc1cc(F)ccc1CNC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000390835573 467415354 /nfs/dbraw/zinc/41/53/54/467415354.db2.gz QZFFUJXAYJREMI-QMTHXVAHSA-N 0 0 339.436 2.013 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575402317 468140691 /nfs/dbraw/zinc/14/06/91/468140691.db2.gz AGJNGWGTLFTVTN-YMAMQOFZSA-N 0 0 343.464 2.264 40 0 EEABRN COc1ncccc1C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605655 468145653 /nfs/dbraw/zinc/14/56/53/468145653.db2.gz RNKKUIQYVUZXJZ-LBPRGKRZSA-N 0 0 348.790 2.217 40 0 EEABRN O=S(=O)(NCc1cncc(C2CC2)c1)c1ccc2c(c1)CCO2 ZINC000575605955 468145697 /nfs/dbraw/zinc/14/56/97/468145697.db2.gz DMRZGDSNPOLGJH-UHFFFAOYSA-N 0 0 330.409 2.372 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)c1 ZINC000575606706 468146561 /nfs/dbraw/zinc/14/65/61/468146561.db2.gz RQLGWQIPCIJYOF-HNNXBMFYSA-N 0 0 346.818 2.490 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CC(N2CCC(OC)CC2)C1 ZINC000575608677 468147023 /nfs/dbraw/zinc/14/70/23/468147023.db2.gz ZVECMJCQVLGYLZ-UHFFFAOYSA-N 0 0 338.835 2.284 40 0 EEABRN C=Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000571155113 468746494 /nfs/dbraw/zinc/74/64/94/468746494.db2.gz ITRQBZXHCZMLIJ-UHFFFAOYSA-N 0 0 334.441 2.009 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)COc1cccc(Cl)c1 ZINC000585094672 468963478 /nfs/dbraw/zinc/96/34/78/468963478.db2.gz GSCGVCUCOXJBMC-ZDUSSCGKSA-N 0 0 349.818 2.052 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3C[C@H]2COc2ncccn2)o1 ZINC000585095021 468964483 /nfs/dbraw/zinc/96/44/83/468964483.db2.gz ZZLPANWMGGJHDD-AWEZNQCLSA-N 0 0 339.399 2.117 40 0 EEABRN Cc1cc(CN2CCn3c(COc4ccccn4)nnc3[C@H]2C)no1 ZINC000585097380 468965523 /nfs/dbraw/zinc/96/55/23/468965523.db2.gz KNMKNBOGRBLOAJ-CYBMUJFWSA-N 0 0 340.387 2.125 40 0 EEABRN Cn1cnc2cc(-c3cccc(CN4CCCS4(=O)=O)c3)ncc21 ZINC000585099451 468966797 /nfs/dbraw/zinc/96/67/97/468966797.db2.gz JPFFNFRXWCPOHR-UHFFFAOYSA-N 0 0 342.424 2.171 40 0 EEABRN COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585105069 468972084 /nfs/dbraw/zinc/97/20/84/468972084.db2.gz ORDQQIAEMIDOGE-OAHLLOKOSA-N 0 0 339.457 2.283 40 0 EEABRN O=C(c1ccc(OC(F)(F)F)cc1)N1CC(Nc2ccncn2)C1 ZINC000585148773 468993177 /nfs/dbraw/zinc/99/31/77/468993177.db2.gz FLLCGZFSWYWXME-UHFFFAOYSA-N 0 0 338.289 2.312 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000585275409 468998732 /nfs/dbraw/zinc/99/87/32/468998732.db2.gz AKUQYESKULELAM-IBGZPJMESA-N 0 0 342.395 2.406 40 0 EEABRN COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000585277566 469002403 /nfs/dbraw/zinc/00/24/03/469002403.db2.gz ITKFAJYEEZZUJH-HNNXBMFYSA-N 0 0 344.333 2.202 40 0 EEABRN CO[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1Cc1ccccc1F ZINC000585277800 469002936 /nfs/dbraw/zinc/00/29/36/469002936.db2.gz PGFMPXJCZWBGCD-WBVHZDCISA-N 0 0 331.391 2.128 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000585277685 469003894 /nfs/dbraw/zinc/00/38/94/469003894.db2.gz KIOJNBHQWFXRGB-IBGZPJMESA-N 0 0 341.411 2.122 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@](CO)(Cc3ccccc3)C2)[nH]1 ZINC000585278872 469005212 /nfs/dbraw/zinc/00/52/12/469005212.db2.gz WDUOYXZQBHBJCN-LJQANCHMSA-N 0 0 329.444 2.087 40 0 EEABRN CO[C@H]1CN(C(=O)c2cnn(C)c2C)CC[C@@H]1Cc1ccccc1 ZINC000585280022 469006599 /nfs/dbraw/zinc/00/65/99/469006599.db2.gz WJMFFDXFNRKWHZ-AEFFLSMTSA-N 0 0 327.428 2.448 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)[C@H]2O)cc1 ZINC000585283623 469008313 /nfs/dbraw/zinc/00/83/13/469008313.db2.gz CGQQETBXNGEJRX-QGPMSJSTSA-N 0 0 342.395 2.044 40 0 EEABRN CCCn1cc(CN2CCCN(c3nc(C)cc(OC)n3)CC2)cn1 ZINC000605147582 469543642 /nfs/dbraw/zinc/54/36/42/469543642.db2.gz LAZQFSOPWDULNW-UHFFFAOYSA-N 0 0 344.463 2.112 40 0 EEABRN CN(Cc1nccs1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000673703175 485503760 /nfs/dbraw/zinc/50/37/60/485503760.db2.gz XTOPAHNCNINWRH-UHFFFAOYSA-N 0 0 348.428 2.182 40 0 EEABRN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1c[nH]c(=O)c(Cl)c1 ZINC000390827532 485667800 /nfs/dbraw/zinc/66/78/00/485667800.db2.gz HICLAFDWMIPFLG-LBPRGKRZSA-N 0 0 336.779 2.459 40 0 EEABRN C[C@@H](CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1nccs1 ZINC000184302389 533920515 /nfs/dbraw/zinc/92/05/15/533920515.db2.gz KUVULYDLZIRVPB-QWHCGFSZSA-N 0 0 339.461 2.431 40 0 EEABRN FC(F)(F)Cn1nnnc1CN1CCC(Cc2cccnc2)CC1 ZINC000253433255 527674758 /nfs/dbraw/zinc/67/47/58/527674758.db2.gz UPBIEDKNYZCJMN-UHFFFAOYSA-N 0 0 340.353 2.085 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1cccs1 ZINC000408709633 527726815 /nfs/dbraw/zinc/72/68/15/527726815.db2.gz VRAMGNDLERKWRF-UHFFFAOYSA-N 0 0 345.424 2.141 40 0 EEABRN CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708228 528030702 /nfs/dbraw/zinc/03/07/02/528030702.db2.gz HRUHJJMPTRCCOQ-UHFFFAOYSA-N 0 0 331.416 2.070 40 0 EEABRN CC(C)c1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)s1 ZINC000183556471 528073943 /nfs/dbraw/zinc/07/39/43/528073943.db2.gz IFWKWRGFCZXOPI-UHFFFAOYSA-N 0 0 338.454 2.449 40 0 EEABRN CCCCc1nc(CN2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c[nH]1 ZINC000257237252 535102692 /nfs/dbraw/zinc/10/26/92/535102692.db2.gz HFTLVLRJYZEDFI-HNNXBMFYSA-N 0 0 331.420 2.130 40 0 EEABRN CCN(C(=O)[C@@H]1CCCN(c2ccc(=O)n(C)n2)C1)c1ccccc1 ZINC000085470884 535689716 /nfs/dbraw/zinc/68/97/16/535689716.db2.gz LGCONYMASXMAOA-OAHLLOKOSA-N 0 0 340.427 2.050 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)on1 ZINC000257263452 536108327 /nfs/dbraw/zinc/10/83/27/536108327.db2.gz LPZFZYVPHDVYRF-MRXNPFEDSA-N 0 0 327.384 2.283 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000226219718 536308961 /nfs/dbraw/zinc/30/89/61/536308961.db2.gz TXPTYHUPIKJJCT-HLLBOEOZSA-N 0 0 334.391 2.030 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)n1 ZINC000257205321 536421677 /nfs/dbraw/zinc/42/16/77/536421677.db2.gz AYNDYCJHVSXIPO-HNNXBMFYSA-N 0 0 336.399 2.452 40 0 EEABRN CC(=O)N[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)C(C)C ZINC000170091524 564177396 /nfs/dbraw/zinc/17/73/96/564177396.db2.gz KBQWTHPPJWCQIO-XZOUCZQKSA-N 0 0 349.431 2.325 40 0 EEABRN CCNC(=O)[C@H](C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000056486047 214376642 /nfs/dbraw/zinc/37/66/42/214376642.db2.gz VHLWBLDZKHKZHH-NSHDSACASA-N 0 0 325.840 2.441 40 0 EEABRN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000058574652 214597313 /nfs/dbraw/zinc/59/73/13/214597313.db2.gz XXPCMIQCETWIAP-UHFFFAOYSA-N 0 0 349.412 2.323 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@H](C)Cn2c3ccccc3oc2=O)CC1 ZINC000100752380 219105519 /nfs/dbraw/zinc/10/55/19/219105519.db2.gz YGZOLJUYUSMTAN-MCIONIFRSA-N 0 0 332.400 2.304 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)C2CCN(c3ccc(C)cn3)CC2)[nH]n1 ZINC000178183255 232103027 /nfs/dbraw/zinc/10/30/27/232103027.db2.gz GULGIUMWPVQGNW-CQSZACIVSA-N 0 0 341.459 2.385 40 0 EEABRN CS(=O)(=O)c1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)o1 ZINC000102757438 219228554 /nfs/dbraw/zinc/22/85/54/219228554.db2.gz QTIFDGJDNFCGSN-OBGWFSINSA-N 0 0 348.424 2.407 40 0 EEABRN Cc1c(C(=O)OCCn2cccn2)nnn1-c1cccc2cccnc21 ZINC000067484227 215151900 /nfs/dbraw/zinc/15/19/00/215151900.db2.gz QKQKDKDHWVUOMK-UHFFFAOYSA-N 0 0 348.366 2.177 40 0 EEABRN Cc1ccc(OCC(=O)OCCNC(=O)c2ccncc2)c(C)c1 ZINC000002679819 209889749 /nfs/dbraw/zinc/88/97/49/209889749.db2.gz NEGCCPZTTKUAMT-UHFFFAOYSA-N 0 0 328.368 2.050 40 0 EEABRN CCc1noc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000041122395 213419839 /nfs/dbraw/zinc/41/98/39/213419839.db2.gz OVLAZOJRKQYLEH-LBPRGKRZSA-N 0 0 329.356 2.381 40 0 EEABRN COC(=O)c1nc2c(n(C)/c1=N/C(=O)Nc1ccccc1)CCCC2 ZINC000104197580 219359754 /nfs/dbraw/zinc/35/97/54/219359754.db2.gz MCZQJKGOUILNEO-LTGZKZEYSA-N 0 0 340.383 2.218 40 0 EEABRN O=C(NCc1cccs1)NC[C@H](c1ccco1)N1CCOCC1 ZINC000038630645 213217093 /nfs/dbraw/zinc/21/70/93/213217093.db2.gz AOESYBIHEVVOKT-CQSZACIVSA-N 0 0 335.429 2.214 40 0 EEABRN Cc1c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cnn1C ZINC000184056683 235294355 /nfs/dbraw/zinc/29/43/55/235294355.db2.gz FCCXZBFBFRMIIY-UHFFFAOYSA-N 0 0 331.391 2.077 40 0 EEABRN CN1Cc2ccccc2CC2(CCN(c3ncc(F)cn3)CC2)C1=O ZINC000105137100 283253502 /nfs/dbraw/zinc/25/35/02/283253502.db2.gz FIFAYXWDIICDMB-UHFFFAOYSA-N 0 0 340.402 2.417 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000085472532 237010240 /nfs/dbraw/zinc/01/02/40/237010240.db2.gz FEFIVJRHPXMZAQ-MRXNPFEDSA-N 0 0 348.468 2.482 40 0 EEABRN CNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000420204 209582571 /nfs/dbraw/zinc/58/25/71/209582571.db2.gz ANCGVRIILSVFOJ-HNNXBMFYSA-N 0 0 345.468 2.322 40 0 EEABRN Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)n(C)n1 ZINC000072241817 216080650 /nfs/dbraw/zinc/08/06/50/216080650.db2.gz RNYQYSOKFMZGGL-WMLDXEAASA-N 0 0 344.390 2.416 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360334 216165436 /nfs/dbraw/zinc/16/54/36/216165436.db2.gz ZHTXBGFFMSXUDO-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN Cc1nc2cc(-c3nccn3C)nn2c(NC[C@H]2CCCO2)c1C ZINC000072338502 216157560 /nfs/dbraw/zinc/15/75/60/216157560.db2.gz HIBJVWBMTUWWJX-CYBMUJFWSA-N 0 0 326.404 2.338 40 0 EEABRN C=Cn1ncc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000072339875 216157678 /nfs/dbraw/zinc/15/76/78/216157678.db2.gz GYXVRIXICBBHGG-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN Cc1cccc(Oc2nccnc2[C@H]2CCCN(CC(N)=O)C2)c1 ZINC000072361828 216168881 /nfs/dbraw/zinc/16/88/81/216168881.db2.gz HCLFXIKCQFLFGC-AWEZNQCLSA-N 0 0 326.400 2.242 40 0 EEABRN Nc1nc2nc([C@H]3CCN(C(=O)c4cscn4)C3)ccc2s1 ZINC000072368634 216176448 /nfs/dbraw/zinc/17/64/48/216176448.db2.gz UQJXMZKOEGRGBY-QMMMGPOBSA-N 0 0 331.426 2.360 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@H]2CCN(c3cnccn3)C2)n1 ZINC000072382470 216182471 /nfs/dbraw/zinc/18/24/71/216182471.db2.gz LHBCMBXZUYRZMP-ZDUSSCGKSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1cc(Nc2ncnc3c2CCN(C(=O)Cc2ccccc2)C3)n[nH]1 ZINC000072382301 216183148 /nfs/dbraw/zinc/18/31/48/216183148.db2.gz NASSVRZFKIMZSG-UHFFFAOYSA-N 0 0 348.410 2.379 40 0 EEABRN O=C(N[C@@H]1CCC(=O)NC1)c1cccc(COc2cccc(F)c2)c1 ZINC000072572557 216276774 /nfs/dbraw/zinc/27/67/74/216276774.db2.gz PZKFTCYXBIJMBH-MRXNPFEDSA-N 0 0 342.370 2.413 40 0 EEABRN Cc1cc(NC(=O)CSc2nccnc2N2CCCCC2)no1 ZINC000073685312 216411670 /nfs/dbraw/zinc/41/16/70/216411670.db2.gz HXWVVALNABPZTK-UHFFFAOYSA-N 0 0 333.417 2.494 40 0 EEABRN COc1ccc(O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000023239227 212362382 /nfs/dbraw/zinc/36/23/82/212362382.db2.gz CESZLLMHEQFYIX-XJKSGUPXSA-N 0 0 343.379 2.419 40 0 EEABRN Cn1cncc1CCc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 ZINC000193193296 240052972 /nfs/dbraw/zinc/05/29/72/240052972.db2.gz OZGWMUZDHYJJPE-UHFFFAOYSA-N 0 0 347.419 2.492 40 0 EEABRN CC(C)c1ccc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cn1 ZINC000195570098 241017192 /nfs/dbraw/zinc/01/71/92/241017192.db2.gz IAMNYOZHYXXZOR-UHFFFAOYSA-N 0 0 326.462 2.490 40 0 EEABRN CN(C)c1nc(N2CCCC2)ncc1NC(=O)Cc1ccc(F)cc1 ZINC000207982474 241063420 /nfs/dbraw/zinc/06/34/20/241063420.db2.gz NOJNFFDMQHMRPS-UHFFFAOYSA-N 0 0 343.406 2.463 40 0 EEABRN COc1cc(OC)cc(OCC(=O)NCCN(C)c2ccccc2)c1 ZINC000218896408 241350180 /nfs/dbraw/zinc/35/01/80/241350180.db2.gz IUMLXDXVAAXLMM-UHFFFAOYSA-N 0 0 344.411 2.335 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000223334664 241635396 /nfs/dbraw/zinc/63/53/96/241635396.db2.gz WTIVUIKLKVGJBM-UHFFFAOYSA-N 0 0 348.468 2.406 40 0 EEABRN S=C(NC[C@H]1CCCO1)Nc1ccc(Sc2ncccn2)nc1 ZINC000223899506 241704904 /nfs/dbraw/zinc/70/49/04/241704904.db2.gz NNXWIXKLMMGLHY-GFCCVEGCSA-N 0 0 347.469 2.488 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1Cl ZINC000223946211 241713747 /nfs/dbraw/zinc/71/37/47/241713747.db2.gz RRKSGGPRNSWKJH-UHFFFAOYSA-N 0 0 349.836 2.220 40 0 EEABRN COc1cccc(CNC(=O)N2CCO[C@H](c3nc(C)cs3)C2)n1 ZINC000225788451 242036901 /nfs/dbraw/zinc/03/69/01/242036901.db2.gz CTEGHSILRWWPML-ZDUSSCGKSA-N 0 0 348.428 2.138 40 0 EEABRN NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)n[nH]1 ZINC000239611706 242957372 /nfs/dbraw/zinc/95/73/72/242957372.db2.gz FBFKLDTZMLIEQG-AWEZNQCLSA-N 0 0 334.326 2.154 40 0 EEABRN Cc1cc(C)nc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000020799823 212174536 /nfs/dbraw/zinc/17/45/36/212174536.db2.gz TUJRDQMCSPDUJA-UHFFFAOYSA-N 0 0 333.355 2.259 40 0 EEABRN COc1ncccc1CN1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C ZINC000247969127 243495515 /nfs/dbraw/zinc/49/55/15/243495515.db2.gz CQCBCBJBJBPCFO-CYBMUJFWSA-N 0 0 343.431 2.002 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000248122944 243532127 /nfs/dbraw/zinc/53/21/27/243532127.db2.gz KQFZSZKDLFRLHW-GFCCVEGCSA-N 0 0 347.415 2.338 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1Cl ZINC000020492212 212139279 /nfs/dbraw/zinc/13/92/79/212139279.db2.gz KRRYDMCHAPJLHW-UHFFFAOYSA-N 0 0 328.777 2.235 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000253592084 244028455 /nfs/dbraw/zinc/02/84/55/244028455.db2.gz STIPXWNAOJMLCU-RBSFLKMASA-N 0 0 330.432 2.085 40 0 EEABRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc[nH]c(=O)c1 ZINC000253630349 244041738 /nfs/dbraw/zinc/04/17/38/244041738.db2.gz CZAXXUQSHBATRM-QFBILLFUSA-N 0 0 344.386 2.430 40 0 EEABRN CC(=O)N[C@]1(C)C[C@@H](c2ccccc2O)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257202391 244125212 /nfs/dbraw/zinc/12/52/12/244125212.db2.gz ALOSDJVJURETIN-RSRPTUBKSA-N 0 0 331.412 2.444 40 0 EEABRN Cc1cncc(C(=O)N2CCC[C@@H]2c2cncc(CN(C)C)n2)c1 ZINC000257207422 244141108 /nfs/dbraw/zinc/14/11/08/244141108.db2.gz BHRLLVSESKZVCI-QGZVFWFLSA-N 0 0 325.416 2.219 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)n1 ZINC000257225352 244197051 /nfs/dbraw/zinc/19/70/51/244197051.db2.gz FFVTYNJIJWAOAA-KRWDZBQOSA-N 0 0 341.459 2.449 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)Cc2cccnc2)CCN1C ZINC000257231759 244215410 /nfs/dbraw/zinc/21/54/10/244215410.db2.gz GIBMUSZFVIHYCF-QGZVFWFLSA-N 0 0 325.412 2.148 40 0 EEABRN Cc1cc(=O)[nH]c([C@]2(C)CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000257244625 244253473 /nfs/dbraw/zinc/25/34/73/244253473.db2.gz IMCYLRSDGFJTOS-KRWDZBQOSA-N 0 0 327.388 2.049 40 0 EEABRN Cc1c[nH]c([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)n1 ZINC000257258848 244291023 /nfs/dbraw/zinc/29/10/23/244291023.db2.gz KVTUZKHVZMMIQT-CYBMUJFWSA-N 0 0 341.820 2.134 40 0 EEABRN Cc1nc([C@@H]2CCCCN2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000257295452 244445240 /nfs/dbraw/zinc/44/52/40/244445240.db2.gz QYIODVVPPOUMCY-INIZCTEOSA-N 0 0 337.427 2.474 40 0 EEABRN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3cccnc3)C2)cn2cccc12 ZINC000257300802 244463339 /nfs/dbraw/zinc/46/33/39/244463339.db2.gz RVSSMHULMJOFCY-MRXNPFEDSA-N 0 0 349.438 2.354 40 0 EEABRN CC1(C)CCCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 ZINC000019749409 212062606 /nfs/dbraw/zinc/06/26/06/212062606.db2.gz GHSCEABSDXDHJD-UHFFFAOYSA-N 0 0 341.415 2.179 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NC1CC(c2ccccc2)C1 ZINC000077661944 216951589 /nfs/dbraw/zinc/95/15/89/216951589.db2.gz KFRAZFJFHMKXMP-SQHUISNBSA-N 0 0 336.457 2.150 40 0 EEABRN CCn1cc(C(=O)N2CCN(Cc3cccc(OC)c3)C[C@@H]2C)cn1 ZINC000019524874 212038271 /nfs/dbraw/zinc/03/82/71/212038271.db2.gz LOGXXWAQRMDIPX-HNNXBMFYSA-N 0 0 342.443 2.258 40 0 EEABRN CCCCS(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019502306 212035607 /nfs/dbraw/zinc/03/56/07/212035607.db2.gz GYRXYSXDHCGRGF-UHFFFAOYSA-N 0 0 340.493 2.314 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1ccc(F)cc1 ZINC000019520852 212037217 /nfs/dbraw/zinc/03/72/17/212037217.db2.gz NWMAOJWYACWOQY-CQSZACIVSA-N 0 0 343.358 2.266 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1ccc(F)cc1F ZINC000019520855 212036785 /nfs/dbraw/zinc/03/67/85/212036785.db2.gz IQBLZONFMONLIG-LLVKDONJSA-N 0 0 347.321 2.476 40 0 EEABRN O=C(COc1ccccc1)N1CCCC[C@H]1c1ccnc2ncnn21 ZINC000019373449 212023987 /nfs/dbraw/zinc/02/39/87/212023987.db2.gz OMEXFKXEEPZHRY-HNNXBMFYSA-N 0 0 337.383 2.257 40 0 EEABRN O=C(C[C@@H]1CCCCO1)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341405 212018622 /nfs/dbraw/zinc/01/86/22/212018622.db2.gz BQRWSINORPYVBJ-CABCVRRESA-N 0 0 342.399 2.407 40 0 EEABRN Cn1c(CCNC(=O)COc2ccc3ccccc3c2)n[nH]c1=S ZINC000078502441 217065107 /nfs/dbraw/zinc/06/51/07/217065107.db2.gz VGRADTHGQIHAQZ-UHFFFAOYSA-N 0 0 342.424 2.369 40 0 EEABRN O=C(OCCCn1ccccc1=O)c1ccc(Br)o1 ZINC000078556652 217077453 /nfs/dbraw/zinc/07/74/53/217077453.db2.gz YXFHRHVYMKTCLJ-UHFFFAOYSA-N 0 0 326.146 2.451 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1 ZINC000079036540 217178505 /nfs/dbraw/zinc/17/85/05/217178505.db2.gz IAESFLBYDYQBNR-IRXDYDNUSA-N 0 0 345.443 2.284 40 0 EEABRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CNC(=O)C1CC1 ZINC000079002006 217172192 /nfs/dbraw/zinc/17/21/92/217172192.db2.gz YGCMGCDMTGGHSC-HNNXBMFYSA-N 0 0 336.407 2.262 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000079098638 217193360 /nfs/dbraw/zinc/19/33/60/217193360.db2.gz YYBTWEHUPZMQID-YJBOKZPZSA-N 0 0 327.432 2.430 40 0 EEABRN COCCc1nnc(SCc2ccc(F)c3cccnc23)n1N ZINC000079107767 217195426 /nfs/dbraw/zinc/19/54/26/217195426.db2.gz UAAFKGHMJMUMNZ-UHFFFAOYSA-N 0 0 333.392 2.160 40 0 EEABRN O=C(c1ccc2[nH]cnc2c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000079349773 217212345 /nfs/dbraw/zinc/21/23/45/217212345.db2.gz IIGJLBJVAMCERS-UHFFFAOYSA-N 0 0 344.312 2.221 40 0 EEABRN Cn1c(CCNC(=O)Cc2cn3ccsc3n2)nc2ccccc21 ZINC000079352611 217212725 /nfs/dbraw/zinc/21/27/25/217212725.db2.gz YFOVUZYPBICCNU-UHFFFAOYSA-N 0 0 339.424 2.184 40 0 EEABRN COC(=O)CCN(Cc1nc2c(cccc2F)[nH]1)C[C@@H]1CCCO1 ZINC000079354587 217213888 /nfs/dbraw/zinc/21/38/88/217213888.db2.gz JQHUVZVNKJUDAZ-LBPRGKRZSA-N 0 0 335.379 2.246 40 0 EEABRN CN(C)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cn1 ZINC000079333619 217209527 /nfs/dbraw/zinc/20/95/27/217209527.db2.gz RZCRAZPDQXDTNQ-UHFFFAOYSA-N 0 0 336.399 2.234 40 0 EEABRN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2sccc2Br)CC1=O ZINC000081374750 217389855 /nfs/dbraw/zinc/38/98/55/217389855.db2.gz FLMLOHAQWZDIQP-NQMVMOMDSA-N 0 0 343.246 2.250 40 0 EEABRN O=C(Nc1ccccc1F)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000085472576 217672846 /nfs/dbraw/zinc/67/28/46/217672846.db2.gz ITBKSLKBOPWJGD-CQSZACIVSA-N 0 0 334.372 2.253 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472539 217672268 /nfs/dbraw/zinc/67/22/68/217672268.db2.gz AHROYOFTHSBXBC-YUELXQCFSA-N 0 0 336.457 2.170 40 0 EEABRN O=C(CC1CCCC1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 ZINC000012407154 211370516 /nfs/dbraw/zinc/37/05/16/211370516.db2.gz GSETUSNWHWBGMD-MRXNPFEDSA-N 0 0 340.431 2.306 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccnc3)n2)c1 ZINC000012407152 211370252 /nfs/dbraw/zinc/37/02/52/211370252.db2.gz DVFIXUKKNQENKU-QGZVFWFLSA-N 0 0 348.410 2.348 40 0 EEABRN Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@H]2C[C@@H]2C)on1 ZINC000012337713 211351443 /nfs/dbraw/zinc/35/14/43/211351443.db2.gz MVQZDNWJYLDAOV-JQWIXIFHSA-N 0 0 329.404 2.120 40 0 EEABRN C[C@@H](Cc1ccccn1)N(C)C(=O)COc1ncnc2ccccc21 ZINC000012290379 211333985 /nfs/dbraw/zinc/33/39/85/211333985.db2.gz GFNPPCUYIPBGTC-AWEZNQCLSA-N 0 0 336.395 2.493 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@@H]1C ZINC000012196178 211317890 /nfs/dbraw/zinc/31/78/90/211317890.db2.gz RZZPZTLJAJJRRI-FVMDXXJSSA-N 0 0 330.363 2.221 40 0 EEABRN CCCc1cc(CNC(=O)[C@]2(C)CC(=O)N=C3C=C(C)C=CN32)on1 ZINC000012192586 211316289 /nfs/dbraw/zinc/31/62/89/211316289.db2.gz XDQOVOAOIZVNJD-SFHVURJKSA-N 0 0 342.399 2.106 40 0 EEABRN Cn1nc(C2CCN(C(=O)c3cscn3)CC2)c2cccnc21 ZINC000012186724 211313932 /nfs/dbraw/zinc/31/39/32/211313932.db2.gz DHLAHJBQHXYIHG-UHFFFAOYSA-N 0 0 327.413 2.445 40 0 EEABRN Cc1nc2n(n1)CCN(C(=O)c1ccc(Cc3c(C)noc3C)o1)C2 ZINC000012185979 211313294 /nfs/dbraw/zinc/31/32/94/211313294.db2.gz ICMBCHZEIQPIQI-UHFFFAOYSA-N 0 0 341.371 2.031 40 0 EEABRN CCn1c2ncccc2n(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1=O ZINC000012117475 211296399 /nfs/dbraw/zinc/29/63/99/211296399.db2.gz DEBKVKIGLLOTQH-HUUCEWRRSA-N 0 0 342.443 2.399 40 0 EEABRN Cc1nn(CC(=O)N2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115229 211294783 /nfs/dbraw/zinc/29/47/83/211294783.db2.gz QTFYPECTDYPZFS-LLVKDONJSA-N 0 0 344.440 2.420 40 0 EEABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccccc1F ZINC000012114400 211293109 /nfs/dbraw/zinc/29/31/09/211293109.db2.gz VXKODCDSUXVGFT-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCCOC)C1 ZINC000012145831 211306780 /nfs/dbraw/zinc/30/67/80/211306780.db2.gz AAINBSGCRZREMU-OAHLLOKOSA-N 0 0 344.459 2.425 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)NCC2CCCCC2)c1=O ZINC000012146594 211306667 /nfs/dbraw/zinc/30/66/67/211306667.db2.gz JRSFSXNYLIOMKY-UHFFFAOYSA-N 0 0 346.456 2.251 40 0 EEABRN COc1ccccc1CN1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000012142838 211305412 /nfs/dbraw/zinc/30/54/12/211305412.db2.gz PLTYBITYBIHLFX-UHFFFAOYSA-N 0 0 339.443 2.226 40 0 EEABRN O=C(C1CCCC1)N1CCC[C@H](Cn2nnc(-c3ccccn3)n2)C1 ZINC000012085406 211288032 /nfs/dbraw/zinc/28/80/32/211288032.db2.gz DJJHEVGRIXQKDX-AWEZNQCLSA-N 0 0 340.431 2.164 40 0 EEABRN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ncnc2c1cnn2C ZINC000097229086 291703862 /nfs/dbraw/zinc/70/38/62/291703862.db2.gz IWEVETXEOFAZQE-CYBMUJFWSA-N 0 0 339.399 2.179 40 0 EEABRN COc1ncccc1N(C)S(=O)(=O)Cc1ccc(F)cc1F ZINC000092864387 218177966 /nfs/dbraw/zinc/17/79/66/218177966.db2.gz LSAZFQHAOPYZPS-UHFFFAOYSA-N 0 0 328.340 2.335 40 0 EEABRN CCCCCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 ZINC000010010043 211141563 /nfs/dbraw/zinc/14/15/63/211141563.db2.gz WCPOHKIJNLXIKN-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810162 211007800 /nfs/dbraw/zinc/00/78/00/211007800.db2.gz CDEDXOKEWQEGQI-UHFFFAOYSA-N 0 0 328.752 2.379 40 0 EEABRN CN(CCn1cnnc1)C(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000095411303 218348076 /nfs/dbraw/zinc/34/80/76/218348076.db2.gz YFPIJYCVRBGDJC-IRXDYDNUSA-N 0 0 343.431 2.310 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042558 218527505 /nfs/dbraw/zinc/52/75/05/218527505.db2.gz ZBOADOZPUVHLDH-KURKYZTESA-N 0 0 328.412 2.467 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)o1 ZINC000096043453 218529393 /nfs/dbraw/zinc/52/93/93/218529393.db2.gz UGLHGTJTPQDSSK-MGPQQGTHSA-N 0 0 331.372 2.314 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccncc1)CN(Cc1ccoc1)C2 ZINC000096060743 218553664 /nfs/dbraw/zinc/55/36/64/218553664.db2.gz UIPQRCQTJYWEMI-INIZCTEOSA-N 0 0 339.399 2.119 40 0 EEABRN O=C(c1ccccc1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108881 218604045 /nfs/dbraw/zinc/60/40/45/218604045.db2.gz NIZCEOJAGCMOTF-UYAOXDASSA-N 0 0 338.407 2.387 40 0 EEABRN O=C(C1CC(F)(F)C1)N1CC[C@H]2OCC[C@@]2(COCC2CC2)C1 ZINC000096110358 218605690 /nfs/dbraw/zinc/60/56/90/218605690.db2.gz ULSIUDUUKMCDAD-ZBFHGGJFSA-N 0 0 329.387 2.466 40 0 EEABRN Cc1nc(CN2CC[C@]3(CCN(C(=O)C4CC=CC4)C3)C2=O)cs1 ZINC000096159468 218634762 /nfs/dbraw/zinc/63/47/62/218634762.db2.gz BPAMZMNQVFMSBZ-GOSISDBHSA-N 0 0 345.468 2.369 40 0 EEABRN CCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)n1 ZINC000096181221 218642607 /nfs/dbraw/zinc/64/26/07/218642607.db2.gz CRTMGPVSTNLWAN-RHSMWYFYSA-N 0 0 326.400 2.370 40 0 EEABRN Cc1ncc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)s1 ZINC000096413551 218770360 /nfs/dbraw/zinc/77/03/60/218770360.db2.gz BBXDIBKTHUADTE-UHFFFAOYSA-N 0 0 332.429 2.081 40 0 EEABRN O=C1NC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1Cl)NN2Cc1ccccc1 ZINC000019171799 296358722 /nfs/dbraw/zinc/35/87/22/296358722.db2.gz RRXCJQDJLNMSPY-BZUAXINKSA-N 0 0 341.798 2.043 40 0 EEABRN CCn1nc(C)cc1C(=O)Nc1ccc(S(C)(=O)=O)c(F)c1 ZINC000096425409 218794365 /nfs/dbraw/zinc/79/43/65/218794365.db2.gz MZVRNQFVLMMSQD-UHFFFAOYSA-N 0 0 325.365 2.006 40 0 EEABRN C[C@H](OCC1CC1)C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000096425320 218794687 /nfs/dbraw/zinc/79/46/87/218794687.db2.gz IZUNPJZVKRXFTO-JTQLQIEISA-N 0 0 345.378 2.432 40 0 EEABRN COC(=O)N1CC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000096426636 218797081 /nfs/dbraw/zinc/79/70/81/218797081.db2.gz WIHFYTABBIVCCO-SSDOTTSWSA-N 0 0 333.207 2.081 40 0 EEABRN NC(=O)N1CCCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000096452794 218836796 /nfs/dbraw/zinc/83/67/96/218836796.db2.gz PRXLTXXHAGAUMI-UHFFFAOYSA-N 0 0 330.201 2.175 40 0 EEABRN CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1F)S(C)(=O)=O ZINC000096456398 218841062 /nfs/dbraw/zinc/84/10/62/218841062.db2.gz SWEWYQRAOGJLSC-UHFFFAOYSA-N 0 0 341.326 2.398 40 0 EEABRN Cc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1F ZINC000004984799 210349357 /nfs/dbraw/zinc/34/93/57/210349357.db2.gz ZUMCFSLFKCPQDT-UHFFFAOYSA-N 0 0 331.376 2.289 40 0 EEABRN COCCCNC(=O)/C(=C\c1cccn1C)NC(=O)c1cccs1 ZINC000004983757 210348447 /nfs/dbraw/zinc/34/84/47/210348447.db2.gz HWVBSLDCXRLTKK-WYMLVPIESA-N 0 0 347.440 2.010 40 0 EEABRN O=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCCC1 ZINC000004968110 210344241 /nfs/dbraw/zinc/34/42/41/210344241.db2.gz RCCJFOXFXBCCJX-UHFFFAOYSA-N 0 0 343.456 2.256 40 0 EEABRN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000004944583 210336623 /nfs/dbraw/zinc/33/66/23/210336623.db2.gz DTKFMTOKVNIPJV-LBPRGKRZSA-N 0 0 345.424 2.462 40 0 EEABRN CCCc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1CCOC ZINC000004878193 210310522 /nfs/dbraw/zinc/31/05/22/210310522.db2.gz JCNXLVXLFDSUAI-ZDUSSCGKSA-N 0 0 340.493 2.370 40 0 EEABRN NC(=O)C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000153692558 224142213 /nfs/dbraw/zinc/14/22/13/224142213.db2.gz QCRDAKKYZPADMN-UHFFFAOYSA-N 0 0 339.233 2.081 40 0 EEABRN COc1cccc([C@H]2[C@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)c1 ZINC000072227073 257686985 /nfs/dbraw/zinc/68/69/85/257686985.db2.gz VNQBYXOTYICALP-ROUUACIJSA-N 0 0 342.395 2.123 40 0 EEABRN Cc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000409058975 257881518 /nfs/dbraw/zinc/88/15/18/257881518.db2.gz QAADFZHYEJDLIO-HUUCEWRRSA-N 0 0 329.787 2.123 40 0 EEABRN CC(C)COC(=O)NCCC(=O)OCC(=O)c1ccc(F)cc1 ZINC000408997706 257883302 /nfs/dbraw/zinc/88/33/02/257883302.db2.gz GXRMAEXRIDSPHR-UHFFFAOYSA-N 0 0 325.336 2.324 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC ZINC000408587167 257895164 /nfs/dbraw/zinc/89/51/64/257895164.db2.gz RSNMJMHJHXPXRT-UHFFFAOYSA-N 0 0 330.406 2.294 40 0 EEABRN CCCC(=O)N[C@@H]1CCCN(c2ncccc2-c2nc(C)no2)C1 ZINC000080976765 257848777 /nfs/dbraw/zinc/84/87/77/257848777.db2.gz FFOFDZZNWDGHKB-CYBMUJFWSA-N 0 0 329.404 2.325 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000306126264 257918600 /nfs/dbraw/zinc/91/86/00/257918600.db2.gz DRBSVTRIRWSVBJ-HWOWSKLDSA-N 0 0 348.418 2.354 40 0 EEABRN CCOc1ccc([C@@H](COC)NC(=O)Nc2cncnc2OC)cc1 ZINC000285891229 257985793 /nfs/dbraw/zinc/98/57/93/257985793.db2.gz SJCKDAIASXIEMT-OAHLLOKOSA-N 0 0 346.387 2.393 40 0 EEABRN C[C@@H]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@@H]1C ZINC000241587967 258000782 /nfs/dbraw/zinc/00/07/82/258000782.db2.gz OYMSIWSLPQIIGE-QCODTGAPSA-N 0 0 334.460 2.493 40 0 EEABRN S=C(NCc1ccccc1)Nc1ccc(N2CCOCC2)nc1 ZINC000055031707 132193259 /nfs/dbraw/zinc/19/32/59/132193259.db2.gz WATGWJXOXTYCTB-UHFFFAOYSA-N 0 0 328.441 2.405 40 0 EEABRN O=c1ccccn1Cc1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000078774506 132817169 /nfs/dbraw/zinc/81/71/69/132817169.db2.gz FTYCWJFJPLLWBV-UHFFFAOYSA-N 0 0 337.383 2.332 40 0 EEABRN COc1cc([C@H]2c3c(C)n[nH]c3C[C@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000012661030 286248129 /nfs/dbraw/zinc/24/81/29/286248129.db2.gz NJYBZOMUTUUJFM-KSZLIROESA-N 0 0 330.384 2.077 40 0 EEABRN CNC(=O)c1c[nH]nc1[C@@]1(C)CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072388833 277019284 /nfs/dbraw/zinc/01/92/84/277019284.db2.gz OCYJZJHXZPGDFY-SFHVURJKSA-N 0 0 344.390 2.102 40 0 EEABRN COCCn1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)n1 ZINC000187736710 277558978 /nfs/dbraw/zinc/55/89/78/277558978.db2.gz GLACYJMNPZJHCW-MRXNPFEDSA-N 0 0 331.441 2.460 40 0 EEABRN CC[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc2O1 ZINC000176914265 288257044 /nfs/dbraw/zinc/25/70/44/288257044.db2.gz XCEGSLQGSNXZND-ZDUSSCGKSA-N 0 0 337.441 2.406 40 0 EEABRN CC1(C)CN(C(=O)C2(S(C)(=O)=O)CC2)CC[C@H]1C(F)(F)F ZINC000408205157 281154919 /nfs/dbraw/zinc/15/49/19/281154919.db2.gz XMDOFLQLYSLKJM-SECBINFHSA-N 0 0 327.368 2.001 40 0 EEABRN Cn1cc(C(=O)N2Cc3cncn3[C@@H](COCC3CCCC3)C2)cn1 ZINC000248144461 294218247 /nfs/dbraw/zinc/21/82/47/294218247.db2.gz RMWQVZMMBCMMKC-QGZVFWFLSA-N 0 0 343.431 2.021 40 0 EEABRN CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1cccs1 ZINC000298127434 294427116 /nfs/dbraw/zinc/42/71/16/294427116.db2.gz FANWKNIPRWNZJW-UHFFFAOYSA-N 0 0 332.425 2.468 40 0 EEABRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)o1 ZINC000193940415 301725910 /nfs/dbraw/zinc/72/59/10/301725910.db2.gz HGFAHIQPQPZXPI-KBPBESRZSA-N 0 0 342.461 2.312 40 0 EEABRN Cc1cccc(C)c1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O ZINC000020112700 301971013 /nfs/dbraw/zinc/97/10/13/301971013.db2.gz PZDCSJFLGKVPMR-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN O=C(CCNC(=O)c1ccc(Cl)c(F)c1)NCc1ccccn1 ZINC000097097860 323320074 /nfs/dbraw/zinc/32/00/74/323320074.db2.gz SVJDNYCHQWYWPR-UHFFFAOYSA-N 0 0 335.766 2.310 40 0 EEABRN CSCCN(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000097096095 323320455 /nfs/dbraw/zinc/32/04/55/323320455.db2.gz GVNJOSCOGPWQBF-UHFFFAOYSA-N 0 0 345.262 2.000 40 0 EEABRN COc1cc(OC)c(NC(=O)c2ccnn2C)cc1Br ZINC000097102342 323321563 /nfs/dbraw/zinc/32/15/63/323321563.db2.gz NMSPOWWIDCSGPF-UHFFFAOYSA-N 0 0 340.177 2.452 40 0 EEABRN CN(C)C(=O)c1cccc(CN2CCOC[C@@H]2c2cccn2C)c1 ZINC000097103548 323321584 /nfs/dbraw/zinc/32/15/84/323321584.db2.gz RLTBUMLQDLOYJZ-GOSISDBHSA-N 0 0 327.428 2.300 40 0 EEABRN COC(=O)[C@H](NCc1nnc(C)n1C)c1ccc(Cl)cc1Cl ZINC000097372217 323322116 /nfs/dbraw/zinc/32/21/16/323322116.db2.gz XBBIPKLHWCZXGZ-CYBMUJFWSA-N 0 0 343.214 2.434 40 0 EEABRN COC(=O)[C@@H](NC(=O)c1ccnn1C)c1ccc(Cl)cc1Cl ZINC000097372059 323322255 /nfs/dbraw/zinc/32/22/55/323322255.db2.gz LCTWGPTVUQANDR-LBPRGKRZSA-N 0 0 342.182 2.371 40 0 EEABRN COc1cccc(Cl)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000153119300 323330397 /nfs/dbraw/zinc/33/03/97/323330397.db2.gz CHWWQLUZXQAUJB-LBPRGKRZSA-N 0 0 338.835 2.395 40 0 EEABRN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)[C@@H]1CCCO1 ZINC000155937843 323333092 /nfs/dbraw/zinc/33/30/92/323333092.db2.gz FUURELXWLQEFGA-KBPBESRZSA-N 0 0 349.431 2.418 40 0 EEABRN O=C(Nc1ccc[nH]c1=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000060292244 462541177 /nfs/dbraw/zinc/54/11/77/462541177.db2.gz LWUNYZTZWAZKQU-JTQLQIEISA-N 0 0 331.759 2.020 40 0 EEABRN COc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000000285297 462552847 /nfs/dbraw/zinc/55/28/47/462552847.db2.gz SRBAEWYIGTYVDL-UHFFFAOYSA-N 0 0 338.407 2.222 40 0 EEABRN Cn1c(SCC(=O)Nc2cccc(N)c2)nnc1-c1cccnc1 ZINC000000413738 462559843 /nfs/dbraw/zinc/55/98/43/462559843.db2.gz BONCMAUAPPTRQY-UHFFFAOYSA-N 0 0 340.412 2.190 40 0 EEABRN CCc1nc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)no1 ZINC000086189786 462566944 /nfs/dbraw/zinc/56/69/44/462566944.db2.gz XXGCBPRDWVEMMA-UHFFFAOYSA-N 0 0 338.433 2.111 40 0 EEABRN Cc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000582551 462571351 /nfs/dbraw/zinc/57/13/51/462571351.db2.gz YVBDIPUVFBZXTM-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000001517301 462584176 /nfs/dbraw/zinc/58/41/76/462584176.db2.gz QXZNHDPDLVHHDV-UHFFFAOYSA-N 0 0 326.381 2.393 40 0 EEABRN C[C@@H](NC(=O)NCCC(=O)N(C)C)c1cccc(N2CCCC2)c1 ZINC000087134139 462592102 /nfs/dbraw/zinc/59/21/02/462592102.db2.gz JZVQFKAOSDKJBV-CQSZACIVSA-N 0 0 332.448 2.125 40 0 EEABRN COc1ccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)cc1 ZINC000062094074 462609075 /nfs/dbraw/zinc/60/90/75/462609075.db2.gz QTKSXLAZHOGKOO-SFHVURJKSA-N 0 0 328.412 2.493 40 0 EEABRN COCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000003055400 462610138 /nfs/dbraw/zinc/61/01/38/462610138.db2.gz JNCZZXRXCQEOTH-QINSGFPZSA-N 0 0 330.409 2.282 40 0 EEABRN Cc1nnc2c(Nc3cccc(Br)c3)nc3nonc3n12 ZINC000003205008 462612226 /nfs/dbraw/zinc/61/22/26/462612226.db2.gz YBBGJBCPAVYYRU-UHFFFAOYSA-N 0 0 346.148 2.475 40 0 EEABRN O=S(=O)(Cc1ccccc1Cl)N[C@@H](CO)Cc1ccccc1 ZINC000074605103 462617348 /nfs/dbraw/zinc/61/73/48/462617348.db2.gz UAKCTJXBFBQNDH-OAHLLOKOSA-N 0 0 339.844 2.363 40 0 EEABRN COc1cc(/C=C/C(=O)NCCO)ccc1OCc1ccccc1 ZINC000062714631 462624049 /nfs/dbraw/zinc/62/40/49/462624049.db2.gz FASMAEFDFDVWDT-CSKARUKUSA-N 0 0 327.380 2.396 40 0 EEABRN Cc1c(Br)cccc1C(=O)N[C@H](C)CN1CCCC1=O ZINC000088444818 462631038 /nfs/dbraw/zinc/63/10/38/462631038.db2.gz LGKJKTUKMDVIMB-SNVBAGLBSA-N 0 0 339.233 2.498 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 ZINC000005427522 462659323 /nfs/dbraw/zinc/65/93/23/462659323.db2.gz KJOFCVTZYTVPDW-GFCCVEGCSA-N 0 0 344.864 2.265 40 0 EEABRN O=C(NCC1(O)CCSCC1)c1ccccc1Br ZINC000075121291 462679583 /nfs/dbraw/zinc/67/95/83/462679583.db2.gz NVSXDAVSUSPJSV-UHFFFAOYSA-N 0 0 330.247 2.437 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)c(C)c1 ZINC000006189716 462680049 /nfs/dbraw/zinc/68/00/49/462680049.db2.gz BSKUDKDSTXVPDB-GDBMZVCRSA-N 0 0 334.416 2.470 40 0 EEABRN COCCC[NH2+][C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000006579831 462690415 /nfs/dbraw/zinc/69/04/15/462690415.db2.gz BZFSOZPBJUVDAX-GFCCVEGCSA-N 0 0 349.214 2.401 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(OCC(F)F)n1 ZINC000089745964 462714134 /nfs/dbraw/zinc/71/41/34/462714134.db2.gz QALPHGBCXIFSIV-XJKSGUPXSA-N 0 0 334.322 2.114 40 0 EEABRN COC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)o1 ZINC000007588190 462741554 /nfs/dbraw/zinc/74/15/54/462741554.db2.gz JDOITAABQUTJSF-UHFFFAOYSA-N 0 0 330.384 2.397 40 0 EEABRN CCS(=O)(=O)CCN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000075836782 462762299 /nfs/dbraw/zinc/76/22/99/462762299.db2.gz UDIXLGGUVPNDDQ-RDJZCZTQSA-N 0 0 325.474 2.500 40 0 EEABRN Cn1cc(C(=O)Nc2ccc(I)cc2)cn1 ZINC000008073962 462764710 /nfs/dbraw/zinc/76/47/10/462764710.db2.gz UCPVYBYTQPYHMD-UHFFFAOYSA-N 0 0 327.125 2.277 40 0 EEABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccco2)C1=O ZINC000008088300 462766226 /nfs/dbraw/zinc/76/62/26/462766226.db2.gz BLZXPGTZGJKLSW-XNTDXEJSSA-N 0 0 339.351 2.373 40 0 EEABRN Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 ZINC000008473953 462784417 /nfs/dbraw/zinc/78/44/17/462784417.db2.gz IBKKDHKGVYQKGR-LBPRGKRZSA-N 0 0 330.413 2.455 40 0 EEABRN Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2cccc(C)c2)cc1 ZINC000008476283 462784476 /nfs/dbraw/zinc/78/44/76/462784476.db2.gz QCGBYDHISDUSGE-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000090608605 462802873 /nfs/dbraw/zinc/80/28/73/462802873.db2.gz ISQJAEHIMIOPSA-OAHLLOKOSA-N 0 0 345.376 2.389 40 0 EEABRN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)cc2)n2ncnc2N1 ZINC000010157093 462813334 /nfs/dbraw/zinc/81/33/34/462813334.db2.gz BFJCFGVXEWPBIS-MRXNPFEDSA-N 0 0 339.399 2.285 40 0 EEABRN CC(C)COC(=O)N1CCN(c2nnc(Br)s2)CC1 ZINC000077214534 462953179 /nfs/dbraw/zinc/95/31/79/462953179.db2.gz LTCIARNIIHXVPP-UHFFFAOYSA-N 0 0 349.254 2.215 40 0 EEABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000015791495 462963401 /nfs/dbraw/zinc/96/34/01/462963401.db2.gz VAMGWTSCIOYUKH-ZENOOKHLSA-N 0 0 338.473 2.491 40 0 EEABRN C[S@@](=O)c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000155983314 462965905 /nfs/dbraw/zinc/96/59/05/462965905.db2.gz UTYADBBAGDDIPI-WNSKOXEYSA-N 0 0 332.425 2.149 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000016598153 462983606 /nfs/dbraw/zinc/98/36/06/462983606.db2.gz BEEAKETWCWYDON-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN Cc1cccc(NC(=O)C(=O)Cc2nc3ccccc3[nH]c2=O)c1C ZINC000016957980 462991506 /nfs/dbraw/zinc/99/15/06/462991506.db2.gz GZFYQVBNVCYWMM-UHFFFAOYSA-N 0 0 335.363 2.290 40 0 EEABRN CC1(C)O[C@H](COP2OCCO2)[C@@H](COP2OCCO2)O1 ZINC000016958286 462992667 /nfs/dbraw/zinc/99/26/67/462992667.db2.gz GRZCTUNSZLHSDO-NXEZZACHSA-N 0 0 342.221 2.087 40 0 EEABRN CCOc1ccc([C@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 ZINC000020065430 463023682 /nfs/dbraw/zinc/02/36/82/463023682.db2.gz FIGGGDJENHANHJ-FCGDIQPGSA-N 0 0 332.396 2.303 40 0 EEABRN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCSCC1 ZINC000077720279 463030571 /nfs/dbraw/zinc/03/05/71/463030571.db2.gz KRBPHJJNFWASNN-UHFFFAOYSA-N 0 0 347.209 2.102 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)cc1 ZINC000134381908 463032807 /nfs/dbraw/zinc/03/28/07/463032807.db2.gz LWECEVPSUWUQDW-DOMZBBRYSA-N 0 0 326.824 2.064 40 0 EEABRN C[C@@H](Cn1cncn1)Nc1ccnc2cc(Br)cnc21 ZINC000157291460 463116329 /nfs/dbraw/zinc/11/63/29/463116329.db2.gz MMCIVFKUYPNSGK-VIFPVBQESA-N 0 0 333.193 2.484 40 0 EEABRN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cc2)C[C@@H](C)O1 ZINC000078773380 463148043 /nfs/dbraw/zinc/14/80/43/463148043.db2.gz JQLGFJMJVMKPJK-ZIAGYGMSSA-N 0 0 347.440 2.496 40 0 EEABRN O=C(N1CCCC1)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042628 463148298 /nfs/dbraw/zinc/14/82/98/463148298.db2.gz XMQZUWLODYCXFQ-KFWWJZLASA-N 0 0 335.379 2.047 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096065785 463164296 /nfs/dbraw/zinc/16/42/96/463164296.db2.gz SPJWQVIFJJJZRB-USXIJHARSA-N 0 0 333.432 2.010 40 0 EEABRN Cc1cc(CN2C[C@@H]3COC[C@]3(COCc3csc(C)n3)C2)no1 ZINC000096108918 463177373 /nfs/dbraw/zinc/17/73/73/463177373.db2.gz ZCJVUQQLBALXJU-PBHICJAKSA-N 0 0 349.456 2.413 40 0 EEABRN O=C(C1CCOCC1)N1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112029 463179421 /nfs/dbraw/zinc/17/94/21/463179421.db2.gz MDURNNFKSZAGNG-CJNGLKHVSA-N 0 0 347.390 2.055 40 0 biogenic,in-vitro EEABRN CCCNC(=O)c1ccc(NC(=O)CCCn2cncn2)cc1Cl ZINC000079044301 463182560 /nfs/dbraw/zinc/18/25/60/463182560.db2.gz XKOGTMIIJHDRJN-UHFFFAOYSA-N 0 0 349.822 2.490 40 0 EEABRN COc1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096121918 463182605 /nfs/dbraw/zinc/18/26/05/463182605.db2.gz LMQSSUGPYKNWBI-UHFFFAOYSA-N 0 0 337.441 2.267 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079044120 463182964 /nfs/dbraw/zinc/18/29/64/463182964.db2.gz HCBFLGXOMJBDTJ-QWRGUYRKSA-N 0 0 342.798 2.374 40 0 EEABRN COc1c(Br)c(C(=O)Nc2ncc(C)s2)nn1C ZINC000096181047 463193160 /nfs/dbraw/zinc/19/31/60/463193160.db2.gz PLLHEFBCEVODGG-UHFFFAOYSA-N 0 0 331.195 2.208 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)n1 ZINC000096184135 463195482 /nfs/dbraw/zinc/19/54/82/463195482.db2.gz QBGIDVJNRXGAEE-LSDHHAIUSA-N 0 0 327.409 2.472 40 0 EEABRN Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)c1 ZINC000096192166 463201041 /nfs/dbraw/zinc/20/10/41/463201041.db2.gz OAORDUVSNJGVNP-AWEZNQCLSA-N 0 0 341.415 2.234 40 0 EEABRN Cc1noc(C)c1CN1CCc2c(CNC(=O)C3CC3)cncc2C1 ZINC000096189495 463201638 /nfs/dbraw/zinc/20/16/38/463201638.db2.gz LKOPNKKZJDIAGI-UHFFFAOYSA-N 0 0 340.427 2.271 40 0 EEABRN COCCN1CCN(Cc2c(C)noc2C)Cc2ccc(C)nc21 ZINC000096199025 463204407 /nfs/dbraw/zinc/20/44/07/463204407.db2.gz OKOQNKFGJSDZKT-UHFFFAOYSA-N 0 0 330.432 2.463 40 0 EEABRN O=C(c1ccc2[nH]ccc2c1)N1CCn2c(Cn3cccn3)cnc2C1 ZINC000096201114 463206109 /nfs/dbraw/zinc/20/61/09/463206109.db2.gz HJYBBPXLSFIEJR-UHFFFAOYSA-N 0 0 346.394 2.265 40 0 EEABRN O=S(=O)(C1CC1)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 ZINC000096206830 463207940 /nfs/dbraw/zinc/20/79/40/463207940.db2.gz MNYQHEXOUOHDLC-WBVHZDCISA-N 0 0 343.489 2.024 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@@H]2C[C@@H](Cc3nnc(C)o3)O[C@@H]2C1 ZINC000096209901 463213523 /nfs/dbraw/zinc/21/35/23/463213523.db2.gz GPBWFCFWHLAJCT-RWMBFGLXSA-N 0 0 333.413 2.220 40 0 EEABRN CN(C)C(=O)N[C@@H]1COC2(C1)CCN(C(=O)Nc1ccccc1)CC2 ZINC000096220725 463217260 /nfs/dbraw/zinc/21/72/60/463217260.db2.gz JHXQOPBYBSWCDC-HNNXBMFYSA-N 0 0 346.431 2.113 40 0 EEABRN CCO[C@H]1CO[C@@]2(CCN(C(=O)Cc3ccc(F)cc3OC)C2)C1 ZINC000096219881 463217751 /nfs/dbraw/zinc/21/77/51/463217751.db2.gz ZUUNCAINQITZKG-QAPCUYQASA-N 0 0 337.391 2.173 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096226616 463220770 /nfs/dbraw/zinc/22/07/70/463220770.db2.gz AHLKBJUPPJLFJO-MRXNPFEDSA-N 0 0 349.460 2.014 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@]3(CCN3Cc3ccc(F)cc3)C2)cn1 ZINC000096228687 463222059 /nfs/dbraw/zinc/22/20/59/463222059.db2.gz WAGPJFAJKSRNJO-LJQANCHMSA-N 0 0 340.402 2.415 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4cnccn4)C3)CC2=O)cc1 ZINC000096238490 463223282 /nfs/dbraw/zinc/22/32/82/463223282.db2.gz LCLGHZCSHNRZDR-LJQANCHMSA-N 0 0 336.395 2.054 40 0 EEABRN c1coc(COCc2ncn3c2CN(c2ncccn2)CCC3)c1 ZINC000096259989 463229491 /nfs/dbraw/zinc/22/94/91/463229491.db2.gz BKOVPPQGTAWUGZ-UHFFFAOYSA-N 0 0 325.372 2.393 40 0 EEABRN COc1ccc2c3c1OC1=C(OC)C=C[C@@H]4[C@@H](C2)N(C=O)CC[C@]314 ZINC000096316354 463235358 /nfs/dbraw/zinc/23/53/58/463235358.db2.gz XXXNJOPDQLNHNP-VPZZIHKRSA-N 0 0 325.364 2.156 40 0 biogenic,in-vitro EEABRN O=C(CCC(F)(F)F)N[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000079639060 463236892 /nfs/dbraw/zinc/23/68/92/463236892.db2.gz YQFVCHIFXBPYJG-CQSZACIVSA-N 0 0 344.333 2.045 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000096404163 463238203 /nfs/dbraw/zinc/23/82/03/463238203.db2.gz JJKOXJLKDRNSCG-UHFFFAOYSA-N 0 0 348.447 2.110 40 0 EEABRN O=S(=O)(Cc1ccc(F)cc1)c1nnc(N2CCCC2)s1 ZINC000096403887 463238222 /nfs/dbraw/zinc/23/82/22/463238222.db2.gz QIXBDBSEKYXGRW-UHFFFAOYSA-N 0 0 327.406 2.251 40 0 EEABRN COc1ccc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)cc1F ZINC000096403794 463238353 /nfs/dbraw/zinc/23/83/53/463238353.db2.gz NFEIJCUGQLDWSR-NSHDSACASA-N 0 0 333.363 2.036 40 0 EEABRN Cn1cc(C(=O)OCCOc2ccccc2Br)cn1 ZINC000096407098 463240340 /nfs/dbraw/zinc/24/03/40/463240340.db2.gz XTKJOLTUZFSDNJ-UHFFFAOYSA-N 0 0 325.162 2.418 40 0 EEABRN Cc1csc(CCCNC(=O)NCC[S@@](=O)C(C)(C)C)n1 ZINC000096408850 463241463 /nfs/dbraw/zinc/24/14/63/463241463.db2.gz FJNVZEVIZINEJZ-NRFANRHFSA-N 0 0 331.507 2.231 40 0 EEABRN CC(C)(C)[S@](=O)CCNC(=O)NCCc1ccc(F)cc1F ZINC000096408911 463242579 /nfs/dbraw/zinc/24/25/79/463242579.db2.gz CHCDQZFBMSPIBO-QFIPXVFZSA-N 0 0 332.416 2.354 40 0 EEABRN CC(C)Cc1cc(C(=O)OCCn2cnc3ccsc3c2=O)n[nH]1 ZINC000096416265 463248453 /nfs/dbraw/zinc/24/84/53/463248453.db2.gz GOSUORIYDUSEMI-UHFFFAOYSA-N 0 0 346.412 2.237 40 0 EEABRN C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCCCCc1ccccc1 ZINC000096417715 463249381 /nfs/dbraw/zinc/24/93/81/463249381.db2.gz ZPEVKYFDGMDDMW-OAHLLOKOSA-N 0 0 338.473 2.228 40 0 EEABRN CNS(=O)(=O)c1ccc(-c2nc(-c3cnn(C)c3)cs2)cc1 ZINC000096421309 463252690 /nfs/dbraw/zinc/25/26/90/463252690.db2.gz CSTWZGAYFWJGAN-UHFFFAOYSA-N 0 0 334.426 2.119 40 0 EEABRN COc1ccc(OC)c(CN2CCN(c3nc(C)ns3)CC2)c1 ZINC000096427312 463256711 /nfs/dbraw/zinc/25/67/11/463256711.db2.gz ORJHNXUXXFRORJ-UHFFFAOYSA-N 0 0 334.445 2.186 40 0 EEABRN Cc1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1C ZINC000096430460 463260108 /nfs/dbraw/zinc/26/01/08/463260108.db2.gz ZIQPYTVBRALYSJ-UHFFFAOYSA-N 0 0 346.818 2.447 40 0 EEABRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCS(=O)(=O)CC1 ZINC000096436323 463263923 /nfs/dbraw/zinc/26/39/23/463263923.db2.gz KSLWGBZYBWDENQ-AWEZNQCLSA-N 0 0 338.473 2.322 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCC(OCC3CC3)CC2)n1 ZINC000096439332 463265769 /nfs/dbraw/zinc/26/57/69/463265769.db2.gz JZUZAKPOXMIVPV-CQSZACIVSA-N 0 0 334.464 2.489 40 0 EEABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000029645329 463266831 /nfs/dbraw/zinc/26/68/31/463266831.db2.gz ZRKWEHQNEVJZDV-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN C[C@H](Cc1cccc(F)c1)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096440400 463266957 /nfs/dbraw/zinc/26/69/57/463266957.db2.gz OROUHXZBOPZENA-CQSZACIVSA-N 0 0 346.406 2.272 40 0 EEABRN Cc1nc(CNC(=O)NCCNC(=O)c2ccc(C)cc2)sc1C ZINC000096440061 463267391 /nfs/dbraw/zinc/26/73/91/463267391.db2.gz IBRIBLHLXIQNDF-UHFFFAOYSA-N 0 0 346.456 2.298 40 0 EEABRN CC(C)c1nncn1CCNC(=O)C[C@H]1OCCc2ccccc21 ZINC000096444413 463269936 /nfs/dbraw/zinc/26/99/36/463269936.db2.gz RAVFJJBVIOCBDG-MRXNPFEDSA-N 0 0 328.416 2.222 40 0 EEABRN CN(Cc1cnn(C)c1)C(=O)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000096447921 463270981 /nfs/dbraw/zinc/27/09/81/463270981.db2.gz MXJWWSAHOJJSGO-UHFFFAOYSA-N 0 0 327.363 2.081 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H]1CCCN1C(C)=O ZINC000136993241 463271463 /nfs/dbraw/zinc/27/14/63/463271463.db2.gz MVNWRVRYXYDLHP-MAUKXSAKSA-N 0 0 330.428 2.242 40 0 EEABRN O=C(Cn1ccnn1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000096455589 463275151 /nfs/dbraw/zinc/27/51/51/463275151.db2.gz DKHXUXQXPQPVJI-UHFFFAOYSA-N 0 0 349.232 2.279 40 0 EEABRN C[C@@H]1C[C@@H](NS(=O)(=O)CC[C@@H]2CCCO2)CN1c1ccccc1 ZINC000096472747 463279180 /nfs/dbraw/zinc/27/91/80/463279180.db2.gz ZADVGQBFNDMESL-INMHGKMJSA-N 0 0 338.473 2.142 40 0 EEABRN CCc1oc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1C ZINC000096483593 463282821 /nfs/dbraw/zinc/28/28/21/463282821.db2.gz FLSLAXJQCGXICS-UHFFFAOYSA-N 0 0 327.384 2.144 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](c1ccccn1)C1CCCC1 ZINC000096484193 463282949 /nfs/dbraw/zinc/28/29/49/463282949.db2.gz BWNHUDDVGSCMSN-CVEARBPZSA-N 0 0 330.432 2.233 40 0 EEABRN CNC(=O)c1cccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c1 ZINC000096487266 463285411 /nfs/dbraw/zinc/28/54/11/463285411.db2.gz ZTXYGVTWVVYFCB-NSHDSACASA-N 0 0 330.409 2.499 40 0 EEABRN COC[C@H](C)C(=O)Nc1ncc(F)cc1I ZINC000096494827 463288761 /nfs/dbraw/zinc/28/87/61/463288761.db2.gz DZAWCIHDXADJJC-LURJTMIESA-N 0 0 338.120 2.046 40 0 EEABRN Cc1ncc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)n1 ZINC000096494494 463288919 /nfs/dbraw/zinc/28/89/19/463288919.db2.gz YQBZYRBQOIPYKG-UHFFFAOYSA-N 0 0 335.367 2.310 40 0 EEABRN Cc1c(F)cccc1S(=O)(=O)NCc1nccn1CC(C)C ZINC000096499986 463290223 /nfs/dbraw/zinc/29/02/23/463290223.db2.gz MQBQDHFCEBPJPT-UHFFFAOYSA-N 0 0 325.409 2.465 40 0 EEABRN COc1ccc(Cl)cc1CNC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000096502796 463292415 /nfs/dbraw/zinc/29/24/15/463292415.db2.gz ZTNIRBSKONDCGW-NSHDSACASA-N 0 0 340.729 2.413 40 0 EEABRN O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(O)c1 ZINC000097236733 463352669 /nfs/dbraw/zinc/35/26/69/463352669.db2.gz YTJHQJNENJHTDZ-MRXNPFEDSA-N 0 0 338.407 2.213 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1F ZINC000070636740 463376016 /nfs/dbraw/zinc/37/60/16/463376016.db2.gz VOPNMIYAYNJDIU-CQSZACIVSA-N 0 0 331.409 2.054 40 0 EEABRN CCOc1ccccc1NC(=O)CN1CC(c2nc(C3CC3)no2)C1 ZINC000070636981 463377739 /nfs/dbraw/zinc/37/77/39/463377739.db2.gz OQFIZPBVECCKBC-UHFFFAOYSA-N 0 0 342.399 2.384 40 0 EEABRN CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000039985165 463452427 /nfs/dbraw/zinc/45/24/27/463452427.db2.gz ZUNSOIOORIQCCG-UHFFFAOYSA-N 0 0 346.452 2.356 40 0 EEABRN O=C([C@H]1[C@H]2[C@@H]1CC[C@@]21CC(=O)c2ccccc2O1)N1CCC(O)CC1 ZINC000072334238 463510202 /nfs/dbraw/zinc/51/02/02/463510202.db2.gz WCKWEPGZJLORIP-VXXKDZQQSA-N 0 0 341.407 2.030 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000058019076 463536028 /nfs/dbraw/zinc/53/60/28/463536028.db2.gz MSAUTVZZQYTUIZ-LRDDRELGSA-N 0 0 347.415 2.183 40 0 EEABRN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1F ZINC000058135109 463541682 /nfs/dbraw/zinc/54/16/82/463541682.db2.gz YIAWPQDFRHCDJK-UHFFFAOYSA-N 0 0 329.375 2.292 40 0 EEABRN O=S(=O)(Cc1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)[C@@H]2C1 ZINC000107249607 463562236 /nfs/dbraw/zinc/56/22/36/463562236.db2.gz YZZSQHBZRVXGHG-RBUKOAKNSA-N 0 0 342.464 2.333 40 0 EEABRN O=C(c1cncnc1)N1CCC2(CCC(=O)N(CC3CCC3)C2)CC1 ZINC000108528714 463610433 /nfs/dbraw/zinc/61/04/33/463610433.db2.gz VANQMOXOVIOKDY-UHFFFAOYSA-N 0 0 342.443 2.122 40 0 EEABRN CCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(OC)cc1 ZINC000059490277 463643065 /nfs/dbraw/zinc/64/30/65/463643065.db2.gz RYIZVKSDHZOSPL-UHFFFAOYSA-N 0 0 348.424 2.490 40 0 EEABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000044456519 463679092 /nfs/dbraw/zinc/67/90/92/463679092.db2.gz SJXLXXKLJINHDZ-LLVKDONJSA-N 0 0 345.848 2.048 40 0 EEABRN COc1ccc(S(=O)(=O)NCCC(C)C)cc1N1CCCC1=O ZINC000044838814 463694823 /nfs/dbraw/zinc/69/48/23/463694823.db2.gz HCJMLEDIVXPIHN-UHFFFAOYSA-N 0 0 340.445 2.146 40 0 EEABRN Cn1ccnc1[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1 ZINC000044890787 463698593 /nfs/dbraw/zinc/69/85/93/463698593.db2.gz SFFFMBMZTHEYNZ-HNNXBMFYSA-N 0 0 344.440 2.185 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1F ZINC000257288825 463763316 /nfs/dbraw/zinc/76/33/16/463763316.db2.gz PVWFYFYSKFJDAE-WMZOPIPTSA-N 0 0 337.391 2.173 40 0 EEABRN O=C(CCc1cccs1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257290705 463763942 /nfs/dbraw/zinc/76/39/42/463763942.db2.gz QEACYLXJZHVRBN-OAHLLOKOSA-N 0 0 331.441 2.331 40 0 EEABRN COc1cccc(CN2CCO[C@@H](c3nc(CN(C)C)c[nH]3)C2)c1F ZINC000257299044 463768731 /nfs/dbraw/zinc/76/87/31/463768731.db2.gz ROLUONWWERXNDB-MRXNPFEDSA-N 0 0 348.422 2.193 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(Cc3cncs3)CCO2)ccn1 ZINC000257302363 463769006 /nfs/dbraw/zinc/76/90/06/463769006.db2.gz SCPNCJOXVFGNLJ-HNNXBMFYSA-N 0 0 332.473 2.438 40 0 EEABRN CN(C(=O)c1cc[nH]n1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257313936 463773562 /nfs/dbraw/zinc/77/35/62/463773562.db2.gz UUSSYHVJTAKPJT-BRWVUGGUSA-N 0 0 329.400 2.233 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257338183 463783910 /nfs/dbraw/zinc/78/39/10/463783910.db2.gz YWINOUMUMHDNEH-OAHLLOKOSA-N 0 0 325.478 2.231 40 0 EEABRN Cc1nc(NC(=O)c2ccnnc2)ccc1I ZINC000194535655 463879921 /nfs/dbraw/zinc/87/99/21/463879921.db2.gz UTGCYJIFJBDSQT-UHFFFAOYSA-N 0 0 340.124 2.037 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@](=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000194621269 463897676 /nfs/dbraw/zinc/89/76/76/463897676.db2.gz RKSLSAIZMNWTEJ-KNUWZQJKSA-N 0 0 337.485 2.395 40 0 EEABRN CN(C)C(=O)c1ccc(S(=O)(=O)N2CCc3c2cccc3F)cc1 ZINC000194661938 463904743 /nfs/dbraw/zinc/90/47/43/463904743.db2.gz QXKXXMCZOWSYMU-UHFFFAOYSA-N 0 0 348.399 2.279 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c(=O)c1 ZINC000194811411 463933349 /nfs/dbraw/zinc/93/33/49/463933349.db2.gz ICEMJXFGHRIQHI-CABCVRRESA-N 0 0 346.452 2.333 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c(=O)c1 ZINC000194811459 463933758 /nfs/dbraw/zinc/93/37/58/463933758.db2.gz ICEMJXFGHRIQHI-LSDHHAIUSA-N 0 0 346.452 2.333 40 0 EEABRN Cc1noc(C)c1[C@H](C)NC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000195549951 464074865 /nfs/dbraw/zinc/07/48/65/464074865.db2.gz RATBYOOCYOBFMW-QMMMGPOBSA-N 0 0 335.326 2.451 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)Nc2cnn(-c3ccccn3)c2)[nH]n1 ZINC000195568702 464078529 /nfs/dbraw/zinc/07/85/29/464078529.db2.gz UVOJGMCYNDCPHC-NSHDSACASA-N 0 0 325.376 2.052 40 0 EEABRN CNS(=O)(=O)CCC[S@](=O)Cc1cc(Cl)ccc1Cl ZINC000195579398 464079769 /nfs/dbraw/zinc/07/97/69/464079769.db2.gz FUICBOYELFMIIJ-SFHVURJKSA-N 0 0 344.285 2.181 40 0 EEABRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCn1cncn1 ZINC000187043783 464093108 /nfs/dbraw/zinc/09/31/08/464093108.db2.gz LJRPWXKCWDQAKF-DOMZBBRYSA-N 0 0 334.807 2.310 40 0 EEABRN COc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222408614 464129974 /nfs/dbraw/zinc/12/99/74/464129974.db2.gz DCVYWWIIVZTSIC-UHFFFAOYSA-N 0 0 348.424 2.021 40 0 EEABRN C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 ZINC000223178627 464137030 /nfs/dbraw/zinc/13/70/30/464137030.db2.gz ZZQVDAFYHIXDDW-RHSMWYFYSA-N 0 0 346.452 2.497 40 0 EEABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCO)c1ccccc1 ZINC000223338086 464140542 /nfs/dbraw/zinc/14/05/42/464140542.db2.gz CHBHIJQKNHWNRR-IBGZPJMESA-N 0 0 340.423 2.275 40 0 EEABRN O=C(NCc1ccccn1)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223391810 464141916 /nfs/dbraw/zinc/14/19/16/464141916.db2.gz KRLQFPLMQXSMBU-GOSISDBHSA-N 0 0 348.406 2.370 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)ccc1F ZINC000223810114 464146483 /nfs/dbraw/zinc/14/64/83/464146483.db2.gz FEOBPWWZVVFCSG-UHFFFAOYSA-N 0 0 337.420 2.432 40 0 EEABRN O=S(=O)(NCCSC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000224975611 464152766 /nfs/dbraw/zinc/15/27/66/464152766.db2.gz IDLSDKRXAQQFLL-UHFFFAOYSA-N 0 0 343.470 2.412 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 ZINC000225421745 464158511 /nfs/dbraw/zinc/15/85/11/464158511.db2.gz YCOXPXMPWOXDKT-AWEZNQCLSA-N 0 0 330.388 2.002 40 0 EEABRN CC1(c2cc(N3CCN(C(=O)c4ccncc4Cl)CC3)n[nH]2)CC1 ZINC000225424969 464158881 /nfs/dbraw/zinc/15/88/81/464158881.db2.gz MQSOCERFAJZFLD-UHFFFAOYSA-N 0 0 345.834 2.472 40 0 EEABRN O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1ccc3c(c1)OCO3)C2 ZINC000225479916 464163265 /nfs/dbraw/zinc/16/32/65/464163265.db2.gz CCSIQGXPJNCOTA-ZFWWWQNUSA-N 0 0 338.363 2.389 40 0 biogenic,in-vitro EEABRN CO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC[C@@H]1C ZINC000225486984 464165780 /nfs/dbraw/zinc/16/57/80/464165780.db2.gz OFXAQSVELNXKOC-JJRVBVJISA-N 0 0 343.431 2.395 40 0 EEABRN COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000225695501 464181213 /nfs/dbraw/zinc/18/12/13/464181213.db2.gz JQZFXACVYGVBRG-SNVBAGLBSA-N 0 0 340.401 2.046 40 0 EEABRN CC(=O)N1CCC(NC(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000271471094 464317876 /nfs/dbraw/zinc/31/78/76/464317876.db2.gz ZFHNYXNELMNVPP-UHFFFAOYSA-N 0 0 347.434 2.459 40 0 EEABRN COc1cc(=O)n2c(c1C(=O)N1CCC(C(F)(F)F)CC1)CCC2 ZINC000240122648 464445323 /nfs/dbraw/zinc/44/53/23/464445323.db2.gz WEVINOMWSOBYHA-UHFFFAOYSA-N 0 0 344.333 2.218 40 0 EEABRN FCCn1ncnc1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470674 464453186 /nfs/dbraw/zinc/45/31/86/464453186.db2.gz NWZATCPNVAHDPB-LLVKDONJSA-N 0 0 346.332 2.300 40 0 EEABRN COc1cc(=O)n(-c2ccccc2)cc1C(=O)NCc1ccccn1 ZINC000245170856 464466879 /nfs/dbraw/zinc/46/68/79/464466879.db2.gz XJGIQEKNEHQGGW-UHFFFAOYSA-N 0 0 335.363 2.171 40 0 EEABRN CS(=O)(=O)N1CCC(C(=O)N2CCC=Cc3ccccc32)CC1 ZINC000190104587 464597756 /nfs/dbraw/zinc/59/77/56/464597756.db2.gz RLOCLXLTUOCKEE-UHFFFAOYSA-N 0 0 334.441 2.108 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000247849168 464709151 /nfs/dbraw/zinc/70/91/51/464709151.db2.gz IDXXXGOJLPIAIW-INIZCTEOSA-N 0 0 348.468 2.111 40 0 EEABRN CC(C)c1nnc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C ZINC000190733952 464711571 /nfs/dbraw/zinc/71/15/71/464711571.db2.gz KPWRZTMKRWFXSA-CYBMUJFWSA-N 0 0 337.468 2.428 40 0 EEABRN O=C(C[C@H]1CN(Cc2ccco2)Cc2ccnn21)NCc1ccco1 ZINC000247890081 464713821 /nfs/dbraw/zinc/71/38/21/464713821.db2.gz YKEQBPVPRZDOJD-HNNXBMFYSA-N 0 0 340.383 2.333 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000248037668 464725822 /nfs/dbraw/zinc/72/58/22/464725822.db2.gz RMUDDWFXMWHQDK-INIZCTEOSA-N 0 0 342.395 2.431 40 0 EEABRN CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000248087439 464729980 /nfs/dbraw/zinc/72/99/80/464729980.db2.gz LEZXGXIDEPLCAG-XUWXXGDYSA-N 0 0 330.384 2.042 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](COc2ccccn2)CC[N@H+]3C)no1 ZINC000248105860 464730080 /nfs/dbraw/zinc/73/00/80/464730080.db2.gz FUQCDNJMVRWKBB-MRXNPFEDSA-N 0 0 342.443 2.353 40 0 EEABRN C[C@H](Sc1nnnn1C)C(=O)c1ccccc1Br ZINC000190967864 464752958 /nfs/dbraw/zinc/75/29/58/464752958.db2.gz AWLGXGJDVYTUPA-ZETCQYMHSA-N 0 0 327.207 2.336 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](Oc2cccnc2)CS3)cn1 ZINC000249697112 464904149 /nfs/dbraw/zinc/90/41/49/464904149.db2.gz UHQKGZLAYSXYTR-MRXNPFEDSA-N 0 0 330.457 2.437 40 0 EEABRN O=C(CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1)NC[C@H]1CCCO1 ZINC000252486550 464963269 /nfs/dbraw/zinc/96/32/69/464963269.db2.gz LGYNHBGNMILSLI-HUUCEWRRSA-N 0 0 342.443 2.038 40 0 EEABRN CS(=O)(=O)c1cccc(Br)c1N[C@@H]1C=C[C@H](CO)C1 ZINC000252491650 464967028 /nfs/dbraw/zinc/96/70/28/464967028.db2.gz LPMMTPHOCXXVCO-VHSXEESVSA-N 0 0 346.246 2.202 40 0 EEABRN CCOc1nc2cc(C(=O)NC(C)(C)c3noc(C)n3)ccc2[nH]1 ZINC000252500282 464970615 /nfs/dbraw/zinc/97/06/15/464970615.db2.gz SRBRVYJHGFENJT-UHFFFAOYSA-N 0 0 329.360 2.318 40 0 EEABRN CC[C@@H](C)[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)C(F)(F)F ZINC000252503489 464972634 /nfs/dbraw/zinc/97/26/34/464972634.db2.gz VDLBTFYWYGSPFE-SKDRFNHKSA-N 0 0 335.370 2.274 40 0 EEABRN COc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 ZINC000252523055 464979383 /nfs/dbraw/zinc/97/93/83/464979383.db2.gz BSSZKIKGIGNWAO-JOCQHMNTSA-N 0 0 328.372 2.000 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000253370903 464994881 /nfs/dbraw/zinc/99/48/81/464994881.db2.gz XSZDUEHUXBNKBS-XGWLTEMNSA-N 0 0 336.480 2.160 40 0 EEABRN CCOC[C@H]1CCOC12CN(C(=O)COc1cccc(Cl)c1)C2 ZINC000253381047 464996325 /nfs/dbraw/zinc/99/63/25/464996325.db2.gz CMXFPSWQBYJDCS-CYBMUJFWSA-N 0 0 339.819 2.373 40 0 EEABRN CCO[C@@H]1CSC2(CN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000253385312 464998049 /nfs/dbraw/zinc/99/80/49/464998049.db2.gz SFEYKBDMPGWCOV-AWEZNQCLSA-N 0 0 325.405 2.328 40 0 EEABRN O=C1CCCN1CC[C@@H]1CN(c2nccn3cnnc23)c2ccccc21 ZINC000253423132 465010548 /nfs/dbraw/zinc/01/05/48/465010548.db2.gz NRXGNNZIEGYXNS-CQSZACIVSA-N 0 0 348.410 2.372 40 0 EEABRN CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000253427698 465011145 /nfs/dbraw/zinc/01/11/45/465011145.db2.gz DGLUXODHORMDPB-RHSMWYFYSA-N 0 0 347.459 2.074 40 0 EEABRN O=C1[C@@H](Sc2ccc(C(F)(F)F)nn2)CCN1C1CCOCC1 ZINC000253428318 465012131 /nfs/dbraw/zinc/01/21/31/465012131.db2.gz ADZVHCPBIZIKSY-JTQLQIEISA-N 0 0 347.362 2.367 40 0 EEABRN COc1ccccc1[C@@H](NS(=O)(=O)c1ccnn1C)c1ccco1 ZINC000253429672 465013362 /nfs/dbraw/zinc/01/33/62/465013362.db2.gz ULJNLQQPXRDHFS-MRXNPFEDSA-N 0 0 347.396 2.090 40 0 EEABRN Cn1nnnc1CN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000253432403 465014489 /nfs/dbraw/zinc/01/44/89/465014489.db2.gz KEVSGDTYUXAQPI-LBPRGKRZSA-N 0 0 340.200 2.449 40 0 EEABRN Cc1noc([C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2c2ccccc2)n1 ZINC000253473380 465016399 /nfs/dbraw/zinc/01/63/99/465016399.db2.gz UMGCXMCMQQGEFK-HRCADAONSA-N 0 0 327.384 2.124 40 0 EEABRN Cc1csc(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)CC2)c1 ZINC000253537740 465017347 /nfs/dbraw/zinc/01/73/47/465017347.db2.gz ZMTIEXHQNCJMIH-UHFFFAOYSA-N 0 0 332.429 2.259 40 0 EEABRN COc1ccccc1N1CC[C@@H](NC(=O)NC[C@H](OC)C(C)C)C1 ZINC000362419105 465721964 /nfs/dbraw/zinc/72/19/64/465721964.db2.gz JPDJJTRUNXROAH-PBHICJAKSA-N 0 0 335.448 2.244 40 0 EEABRN C[C@@H]1CN(c2ccc(CNc3ncnc(N)c3Cl)cn2)C[C@@H](C)O1 ZINC000302804219 466188495 /nfs/dbraw/zinc/18/84/95/466188495.db2.gz VVNXPSODMPFKPW-GHMZBOCLSA-N 0 0 348.838 2.333 40 0 EEABRN CN1CCC[C@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144334 466494377 /nfs/dbraw/zinc/49/43/77/466494377.db2.gz ZCTXFINXTJXGMX-KRWDZBQOSA-N 0 0 349.438 2.469 40 0 EEABRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@H](C)C3CCOCC3)n2)c1 ZINC000333014850 466600050 /nfs/dbraw/zinc/60/00/50/466600050.db2.gz QUESTEWNGQPFNX-CHWSQXEVSA-N 0 0 343.431 2.415 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)o2)C1=O ZINC000408547984 466681167 /nfs/dbraw/zinc/68/11/67/466681167.db2.gz BJNCRKVSUKNMER-UKTHLTGXSA-N 0 0 326.308 2.012 40 0 EEABRN COc1cc([C@H]2Cc3nc(C)nc(N)c3C(=O)C2)cc(OC)c1OC ZINC000408712611 466681780 /nfs/dbraw/zinc/68/17/80/466681780.db2.gz BEROLRJNFVHBJK-JTQLQIEISA-N 0 0 343.383 2.306 40 0 EEABRN COC(=O)c1ncccc1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000450961749 467215994 /nfs/dbraw/zinc/21/59/94/467215994.db2.gz AYFKALUJDQEJOB-AWEZNQCLSA-N 0 0 346.408 2.224 40 0 EEABRN Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)n1 ZINC000390828371 467412466 /nfs/dbraw/zinc/41/24/66/467412466.db2.gz QVGBUGVJKRWIHP-UHFFFAOYSA-N 0 0 347.440 2.326 40 0 EEABRN COC(=O)c1cc(C(=O)Nc2ccc(OC)c3ncccc23)no1 ZINC000390833207 467414481 /nfs/dbraw/zinc/41/44/81/467414481.db2.gz DORAZUKJOIEWNJ-UHFFFAOYSA-N 0 0 327.296 2.270 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@H]4C)C3)C2)n1 ZINC000575405666 468141531 /nfs/dbraw/zinc/14/15/31/468141531.db2.gz TZYXYUWWOQKFDK-XYPHTWIQSA-N 0 0 330.428 2.323 40 0 EEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)c1 ZINC000575406773 468142836 /nfs/dbraw/zinc/14/28/36/468142836.db2.gz SNXQNSAWQADUAE-KRWDZBQOSA-N 0 0 338.411 2.011 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)NCCn1cnc(C2CC2)cc1=O ZINC000575413771 468142884 /nfs/dbraw/zinc/14/28/84/468142884.db2.gz GFDBXTSSPXKXDQ-UHFFFAOYSA-N 0 0 331.803 2.133 40 0 EEABRN COc1ccc(C(=O)NCc2nc(C3CCOCC3)no2)c(C)c1 ZINC000575607849 468146403 /nfs/dbraw/zinc/14/64/03/468146403.db2.gz PXFRYYFGUZTQPK-UHFFFAOYSA-N 0 0 331.372 2.211 40 0 EEABRN Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2ccco2)n1 ZINC000585094751 468963467 /nfs/dbraw/zinc/96/34/67/468963467.db2.gz KNQCBVASDXEHHW-AWEZNQCLSA-N 0 0 339.399 2.117 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2ccccc2n1 ZINC000585094864 468963598 /nfs/dbraw/zinc/96/35/98/468963598.db2.gz QVAFOZKTAROVNB-CQSZACIVSA-N 0 0 336.395 2.182 40 0 EEABRN CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000585094548 468963608 /nfs/dbraw/zinc/96/36/08/468963608.db2.gz AQUGSJBAOQKAQE-ZDUSSCGKSA-N 0 0 347.390 2.171 40 0 EEABRN O=C(c1cnccn1)N1Cc2cncn2CC[C@H]1COc1ccccc1 ZINC000585097832 468965570 /nfs/dbraw/zinc/96/55/70/468965570.db2.gz RMSHWNQOGLCRHU-HNNXBMFYSA-N 0 0 349.394 2.167 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1 ZINC000585097393 468965867 /nfs/dbraw/zinc/96/58/67/468965867.db2.gz KSBRGJPYMGIESL-OAHLLOKOSA-N 0 0 330.388 2.021 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@H]2C ZINC000585098509 468966745 /nfs/dbraw/zinc/96/67/45/468966745.db2.gz YYAMDFAYBJSPGS-AWEZNQCLSA-N 0 0 344.415 2.105 40 0 EEABRN COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccccc1C)C2 ZINC000585112709 468975656 /nfs/dbraw/zinc/97/56/56/468975656.db2.gz UAZOYLQWYUQOMI-AWEZNQCLSA-N 0 0 343.427 2.306 40 0 EEABRN Cc1cccc(CS(=O)(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 ZINC000585141943 468992058 /nfs/dbraw/zinc/99/20/58/468992058.db2.gz JLGGDLHMIUHVLB-IAGOWNOFSA-N 0 0 349.456 2.068 40 0 EEABRN Cc1noc(CCC(=O)N2CC[C@H](O)[C@H](Cc3ccc(C)cc3)C2)n1 ZINC000585275648 468999592 /nfs/dbraw/zinc/99/95/92/468999592.db2.gz FMVURMSLGCIZBI-SJORKVTESA-N 0 0 343.427 2.071 40 0 EEABRN CNC(=O)CC[C@]1(OC)CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000585276447 469000365 /nfs/dbraw/zinc/00/03/65/469000365.db2.gz ACBLYTZDJNEXMZ-MRXNPFEDSA-N 0 0 346.418 2.346 40 0 EEABRN CCc1cnc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3F)C2)nc1 ZINC000585277423 469002258 /nfs/dbraw/zinc/00/22/58/469002258.db2.gz UMFNAEUFVBQNBF-WBVHZDCISA-N 0 0 343.402 2.244 40 0 EEABRN CNc1ncccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585276877 469002337 /nfs/dbraw/zinc/00/23/37/469002337.db2.gz PJGXLUMYGUKSFH-IRXDYDNUSA-N 0 0 325.412 2.332 40 0 EEABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1ccccc1Cl ZINC000585276652 469002415 /nfs/dbraw/zinc/00/24/15/469002415.db2.gz CCDADYOSTRERMS-GJZGRUSLSA-N 0 0 338.835 2.486 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3cn[nH]c3)[C@H]2O)cc1 ZINC000585283543 469008436 /nfs/dbraw/zinc/00/84/36/469008436.db2.gz BQPLVPGZJBTSQN-KBRIMQKVSA-N 0 0 329.400 2.057 40 0 EEABRN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2o1 ZINC000646297402 470594245 /nfs/dbraw/zinc/59/42/45/470594245.db2.gz FSUXQQVSPUCNJV-INIZCTEOSA-N 0 0 335.363 2.422 40 0 EEABRN CS(=O)(=O)c1ccc2ncnc(N3CCO[C@H](C4CCC4)C3)c2c1 ZINC000665742798 472167785 /nfs/dbraw/zinc/16/77/85/472167785.db2.gz OYMCVIAYEVLSBP-INIZCTEOSA-N 0 0 347.440 2.039 40 0 EEABRN C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1nnnn1C ZINC000189756892 534027404 /nfs/dbraw/zinc/02/74/04/534027404.db2.gz IBLDYZNBUDPARL-NSHDSACASA-N 0 0 341.375 2.298 40 0 EEABRN CC(=O)N[C@@H](CC(C)C)C(=O)NCc1nccn1-c1ccccc1 ZINC000225787723 534554680 /nfs/dbraw/zinc/55/46/80/534554680.db2.gz HGUPYOCZTNWHGU-INIZCTEOSA-N 0 0 328.416 2.039 40 0 EEABRN O=C(Cc1ccsc1)NCCn1nc(-c2cccs2)ccc1=O ZINC000012158245 527318208 /nfs/dbraw/zinc/31/82/08/527318208.db2.gz BBUNSFPLJDXSJX-UHFFFAOYSA-N 0 0 345.449 2.392 40 0 EEABRN CCCOc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000132532001 528671841 /nfs/dbraw/zinc/67/18/41/528671841.db2.gz HUIMMXNOUJGIFO-DLBZAZTESA-N 0 0 345.443 2.428 40 0 EEABRN COC(=O)[C@@H]1C[C@H]2C(=O)CCC[C@H]2N1C(=O)OCc1ccccc1 ZINC000226086333 536542724 /nfs/dbraw/zinc/54/27/24/536542724.db2.gz RKBFGLSWCYFRKN-KFWWJZLASA-N 0 0 331.368 2.308 40 0 EEABRN CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1 ZINC000227153399 535334082 /nfs/dbraw/zinc/33/40/82/535334082.db2.gz DBKPFAQBOQPHFC-HNNXBMFYSA-N 0 0 329.400 2.325 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1cccc(Cl)c1 ZINC000257244314 535427087 /nfs/dbraw/zinc/42/70/87/535427087.db2.gz IKTNSZAUCOWIKT-ZBFHGGJFSA-N 0 0 338.835 2.090 40 0 EEABRN CCc1oc(C(=O)N(C)c2cccnc2N(C)C)cc1C(=O)OC ZINC000225778846 535914341 /nfs/dbraw/zinc/91/43/41/535914341.db2.gz MYVXOOQKCXLRLA-UHFFFAOYSA-N 0 0 331.372 2.366 40 0 EEABRN Cn1nc(C(=O)Nc2ccncc2)c(F)c1NC(=O)c1ccccc1 ZINC000041070636 1352492960 /nfs/dbraw/zinc/49/29/60/1352492960.db2.gz MDBHRURCIRCDIN-UHFFFAOYSA-N 0 0 339.330 2.459 40 0 EEABRN CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000096113043 1357928129 /nfs/dbraw/zinc/92/81/29/1357928129.db2.gz UUAWBXDWJHAHNC-DLBZAZTESA-N 0 0 347.434 2.090 40 0 biogenic,in-vitro EEABRN Cn1cc(C2=CCCN(S(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)C2)cn1 ZINC000907359820 784562625 /nfs/dbraw/zinc/56/26/25/784562625.db2.gz CCWDCBRHMNVBLP-ZWKOTPCHSA-N 0 0 343.452 2.395 40 0 EEABRN Cc1nnc(CN(C)C(=O)NCc2cccc(-n3ccnc3)c2)s1 ZINC000952886895 796087751 /nfs/dbraw/zinc/08/77/51/796087751.db2.gz YHGFYEHRSBHHGE-UHFFFAOYSA-N 0 0 342.428 2.374 40 0 EEABRN O=c1n(Cc2ccccc2F)nc2n1C(=O)N(c1cccc(F)c1)C2 ZINC001547200957 1124226379 /nfs/dbraw/zinc/22/63/79/1124226379.db2.gz POQAFKSMXVSKSN-UHFFFAOYSA-N 0 0 342.305 2.360 40 0 EEABRN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1nc(C)cs1 ZINC000051202764 214083195 /nfs/dbraw/zinc/08/31/95/214083195.db2.gz MNKATMALQYTETN-UHFFFAOYSA-N 0 0 335.385 2.258 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1F ZINC000057355088 214422185 /nfs/dbraw/zinc/42/21/85/214422185.db2.gz RKARVRCYNPYPBT-MAUKXSAKSA-N 0 0 341.386 2.447 40 0 EEABRN CC[C@@]1(C)CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CCO1 ZINC000188195715 529530267 /nfs/dbraw/zinc/53/02/67/529530267.db2.gz FQACJWHWIKHJFE-DYVFJYSZSA-N 0 0 335.452 2.447 40 0 EEABRN C[C@@H](NC(=O)Cn1c(=O)onc1-c1cccs1)c1ccccc1 ZINC000060212805 214630281 /nfs/dbraw/zinc/63/02/81/214630281.db2.gz ZHFACFMXFLTNRI-LLVKDONJSA-N 0 0 329.381 2.442 40 0 EEABRN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C=O)CC2)on1 ZINC000019123187 539329355 /nfs/dbraw/zinc/32/93/55/539329355.db2.gz CYASUUQCYWGDNS-UHFFFAOYSA-N 0 0 341.415 2.376 40 0 EEABRN O=C(CSc1nnnn1-c1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004512114 210210548 /nfs/dbraw/zinc/21/05/48/210210548.db2.gz ASYYWBKDAACHFX-SCRDCRAPSA-N 0 0 329.429 2.059 40 0 EEABRN Cc1nnc(-c2ccn3c(I)cnc3c2)o1 ZINC000095618997 282310978 /nfs/dbraw/zinc/31/09/78/282310978.db2.gz COLPQJPODKXTIU-UHFFFAOYSA-N 0 0 326.097 2.297 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1c[nH]nc1C(C)(C)C ZINC000191552254 530033497 /nfs/dbraw/zinc/03/34/97/530033497.db2.gz QZSTWGMNWUMVJR-UHFFFAOYSA-N 0 0 348.472 2.178 40 0 EEABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC)CC2=O)cc1Cl ZINC000045953335 213768074 /nfs/dbraw/zinc/76/80/74/213768074.db2.gz FCGAMGSRLOZJGU-SNVBAGLBSA-N 0 0 339.775 2.433 40 0 EEABRN Cn1c2ccccc2sc1=NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000103040133 219249715 /nfs/dbraw/zinc/24/97/15/219249715.db2.gz WLHDMPAWGSREFK-ISLYRVAYSA-N 0 0 336.376 2.217 40 0 EEABRN CSc1ncc(-c2nnsc2C(=O)OC[C@H]2CCCO2)cn1 ZINC000223857206 539658374 /nfs/dbraw/zinc/65/83/74/539658374.db2.gz BKDXNQKDYYODLT-SECBINFHSA-N 0 0 338.414 2.053 40 0 EEABRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@@H]2CC=CCC2)C1=O ZINC000068740887 215330291 /nfs/dbraw/zinc/33/02/91/215330291.db2.gz RPHMSYUERXCXIQ-KUHUBIRLSA-N 0 0 342.395 2.353 40 0 EEABRN O=C(Cn1ccc2ccccc2c1=O)Nc1nc(CC2CC2)ns1 ZINC000685939037 539988808 /nfs/dbraw/zinc/98/88/08/539988808.db2.gz ORABPDAHJCPDCI-UHFFFAOYSA-N 0 0 340.408 2.444 40 0 EEABRN O=C(CNC(=O)COc1ccc(Oc2ccccc2)cc1)NC1CC1 ZINC000040037721 213252909 /nfs/dbraw/zinc/25/29/09/213252909.db2.gz AZTWZJSVFLUBNI-UHFFFAOYSA-N 0 0 340.379 2.253 40 0 EEABRN O=C(NCc1cccs1)NC[C@@H](c1ccco1)N1CCOCC1 ZINC000038630646 213217848 /nfs/dbraw/zinc/21/78/48/213217848.db2.gz AOESYBIHEVVOKT-AWEZNQCLSA-N 0 0 335.429 2.214 40 0 EEABRN C[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000038581944 213215971 /nfs/dbraw/zinc/21/59/71/213215971.db2.gz URECFMLYXNGWIZ-UKRRQHHQSA-N 0 0 339.461 2.093 40 0 EEABRN CCOCCCNC(=O)Cn1nc(-c2cccc(Cl)c2)ccc1=O ZINC000035315681 213020981 /nfs/dbraw/zinc/02/09/81/213020981.db2.gz KXTIDZSUQHZNON-UHFFFAOYSA-N 0 0 349.818 2.107 40 0 EEABRN Cc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1C ZINC000010336014 236898242 /nfs/dbraw/zinc/89/82/42/236898242.db2.gz FVTCWCJYQLWXKR-UHFFFAOYSA-N 0 0 326.462 2.374 40 0 EEABRN O=C(NCCOc1ncccc1Cl)N[C@@H]1CCC[C@H]1n1ccnc1 ZINC000096473499 237060692 /nfs/dbraw/zinc/06/06/92/237060692.db2.gz SBKMIWKRMUTWTC-ZIAGYGMSSA-N 0 0 349.822 2.403 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000072238074 216076837 /nfs/dbraw/zinc/07/68/37/216076837.db2.gz OIIPHNLCMGTVBP-ZWKOTPCHSA-N 0 0 342.370 2.040 40 0 EEABRN Cc1nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)ncc1C(N)=O ZINC000072345565 216158982 /nfs/dbraw/zinc/15/89/82/216158982.db2.gz SNKHFEFULDAJGK-CQSZACIVSA-N 0 0 330.432 2.170 40 0 EEABRN O=C(Cc1cccnc1)N1CCC(c2nccnc2-n2ccnc2)CC1 ZINC000072350631 216161669 /nfs/dbraw/zinc/16/16/69/216161669.db2.gz AHSQIHSYVCGDOY-UHFFFAOYSA-N 0 0 348.410 2.006 40 0 EEABRN COc1ccccc1CN1CCC[C@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351373 216161889 /nfs/dbraw/zinc/16/18/89/216161889.db2.gz AHOCSERJZYVJMQ-HNNXBMFYSA-N 0 0 328.416 2.457 40 0 EEABRN Cc1ncccc1Oc1cncc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072361991 216168509 /nfs/dbraw/zinc/16/85/09/216168509.db2.gz XMHBKRQCFOBBPD-CYBMUJFWSA-N 0 0 334.401 2.069 40 0 EEABRN C[NH+](C)[C@@H](CNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000072401249 216193941 /nfs/dbraw/zinc/19/39/41/216193941.db2.gz JUFLYIZPSNNLCS-MELADBBJSA-N 0 0 338.835 2.416 40 0 EEABRN C[C@H](CC1CCCC1)C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000072569895 216276128 /nfs/dbraw/zinc/27/61/28/216276128.db2.gz ZTJKAEYFWHGJMA-NXHRZFHOSA-N 0 0 338.492 2.056 40 0 EEABRN O=C([C@@H]1CCCS1)N1CCN(c2nncc3ccccc32)CC1 ZINC000073102282 216349356 /nfs/dbraw/zinc/34/93/56/216349356.db2.gz SNWRCAQPQDOUJM-HNNXBMFYSA-N 0 0 328.441 2.174 40 0 EEABRN Cc1ccc2oc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)cc2n1 ZINC000073118504 216352119 /nfs/dbraw/zinc/35/21/19/216352119.db2.gz AKKCMOBYJXFPCI-LBPRGKRZSA-N 0 0 344.440 2.385 40 0 EEABRN CN(C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000022274647 212287818 /nfs/dbraw/zinc/28/78/18/212287818.db2.gz CIYPSCTUXREZPT-UHFFFAOYSA-N 0 0 336.388 2.109 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)n1 ZINC000194076839 240430552 /nfs/dbraw/zinc/43/05/52/240430552.db2.gz NVQXDTJOTITVOM-JSGCOSHPSA-N 0 0 349.460 2.067 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000195079647 240822722 /nfs/dbraw/zinc/82/27/22/240822722.db2.gz IGKFLWQQUCKKFP-ZJUUUORDSA-N 0 0 336.251 2.464 40 0 EEABRN CCc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000224266778 241745295 /nfs/dbraw/zinc/74/52/95/241745295.db2.gz WRVPYOJOGIGAFM-UHFFFAOYSA-N 0 0 340.431 2.435 40 0 EEABRN C[C@@H]1CCCN1S(=O)(=O)c1ccc(OCCn2cccn2)cc1 ZINC000225448742 241867602 /nfs/dbraw/zinc/86/76/02/241867602.db2.gz NXHQZTODFVXZEC-CQSZACIVSA-N 0 0 335.429 2.135 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1cccc(C)c1 ZINC000225881080 242069710 /nfs/dbraw/zinc/06/97/10/242069710.db2.gz UZTNMCWGUMZZPQ-UHFFFAOYSA-N 0 0 339.442 2.408 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)c1ccccc1 ZINC000225879966 242069892 /nfs/dbraw/zinc/06/98/92/242069892.db2.gz QANXGSGZFPFTJH-UHFFFAOYSA-N 0 0 339.442 2.124 40 0 EEABRN CS(=O)(=O)N[C@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000225947064 242079377 /nfs/dbraw/zinc/07/93/77/242079377.db2.gz WQGXRQKSJMLQKN-OAHLLOKOSA-N 0 0 342.436 2.209 40 0 EEABRN O=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCC(O)CC1 ZINC000227115123 242121173 /nfs/dbraw/zinc/12/11/73/242121173.db2.gz UEUGVPIPOWTBDR-UHFFFAOYSA-N 0 0 339.317 2.488 40 0 EEABRN c1ccc(CO[C@H]2CCOC3(CN(Cc4ccccn4)C3)C2)nc1 ZINC000247956527 243490855 /nfs/dbraw/zinc/49/08/55/243490855.db2.gz OMOCRJYKKWPPHW-SFHVURJKSA-N 0 0 325.412 2.427 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(c4ncc(F)cn4)C3)C2)c1 ZINC000247889154 243475247 /nfs/dbraw/zinc/47/52/47/243475247.db2.gz FEFHGVMZUXOESF-MRXNPFEDSA-N 0 0 344.390 2.274 40 0 EEABRN Cc1cc(N[C@H]2CCN(c3ncccc3Cl)C2)n2ncnc2n1 ZINC000253431046 243984528 /nfs/dbraw/zinc/98/45/28/243984528.db2.gz NROPSKXEKJJNBK-NSHDSACASA-N 0 0 329.795 2.172 40 0 EEABRN O=C(c1cnccn1)N1CCC(Nc2ncnc3ccsc32)CC1 ZINC000076688835 216806349 /nfs/dbraw/zinc/80/63/49/216806349.db2.gz BCBCURMFQFGBEA-UHFFFAOYSA-N 0 0 340.412 2.198 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000076825562 216817057 /nfs/dbraw/zinc/81/70/57/216817057.db2.gz CXYVCLYZKMEGQW-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN Cn1cc(C(=O)N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 ZINC000257205414 244133008 /nfs/dbraw/zinc/13/30/08/244133008.db2.gz AYXFVBFOOVWTGZ-HKUYNNGSSA-N 0 0 341.411 2.011 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257218383 244172811 /nfs/dbraw/zinc/17/28/11/244172811.db2.gz DCYDGZNMFCCZKT-CYBMUJFWSA-N 0 0 327.384 2.276 40 0 EEABRN O=C(c1ccc2[nH]cnc2c1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257208128 244139411 /nfs/dbraw/zinc/13/94/11/244139411.db2.gz BKWSIWXPNSKGOE-UHFFFAOYSA-N 0 0 348.410 2.460 40 0 EEABRN Cc1cc(CC[C@H]2CN(C(=O)Cc3ccsc3)CCO2)ncn1 ZINC000257212727 244157811 /nfs/dbraw/zinc/15/78/11/244157811.db2.gz CEROAQXITOIDCB-INIZCTEOSA-N 0 0 331.441 2.249 40 0 EEABRN CS(=O)(=O)N1CCC(Cc2ccc(Br)cn2)CC1 ZINC000257219308 244177198 /nfs/dbraw/zinc/17/71/98/244177198.db2.gz DGJFBLWYAYBISJ-UHFFFAOYSA-N 0 0 333.251 2.058 40 0 EEABRN Cn1nccc1C(=O)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 ZINC000257220050 244180328 /nfs/dbraw/zinc/18/03/28/244180328.db2.gz DJHOHEXFVOQLFH-ZDUSSCGKSA-N 0 0 338.371 2.233 40 0 EEABRN CN(C)C(=O)CN1CCCC[C@H]1c1csc(Nc2cnccn2)n1 ZINC000257244637 244252424 /nfs/dbraw/zinc/25/24/24/244252424.db2.gz IMEHQVKPRQDWMY-ZDUSSCGKSA-N 0 0 346.460 2.292 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 ZINC000257245334 244255976 /nfs/dbraw/zinc/25/59/76/244255976.db2.gz IPAAVWBAUXWTKU-GFCCVEGCSA-N 0 0 326.356 2.140 40 0 EEABRN CNc1cc(CC[C@@H]2CN(Cc3cnc(C)nc3)CCO2)ccn1 ZINC000257246661 244257641 /nfs/dbraw/zinc/25/76/41/244257641.db2.gz IVDOSJNKZVEICV-QGZVFWFLSA-N 0 0 327.432 2.055 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1C(F)(F)F ZINC000257239926 244238141 /nfs/dbraw/zinc/23/81/41/244238141.db2.gz HRJYRLZZCNFNNC-VIFPVBQESA-N 0 0 327.310 2.182 40 0 EEABRN Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)c3cccnc3)C2)n1 ZINC000257239182 244238793 /nfs/dbraw/zinc/23/87/93/244238793.db2.gz HOGKTEFQBKYUHN-OAHLLOKOSA-N 0 0 348.410 2.210 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257240434 244241377 /nfs/dbraw/zinc/24/13/77/244241377.db2.gz HTMDLRPHGWENGT-CQSZACIVSA-N 0 0 330.388 2.419 40 0 EEABRN COc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1 ZINC000257240444 244241389 /nfs/dbraw/zinc/24/13/89/244241389.db2.gz HTNJNQGBDYFGDX-INIZCTEOSA-N 0 0 341.411 2.267 40 0 EEABRN Cc1ccccc1S(=O)(=O)NCc1ccnc([C@@H]2CCCO2)n1 ZINC000257241001 244242232 /nfs/dbraw/zinc/24/22/32/244242232.db2.gz HWFFEDYJMYIYFV-AWEZNQCLSA-N 0 0 333.413 2.115 40 0 EEABRN CC(C)n1nccc1-c1ccc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000257252413 244272279 /nfs/dbraw/zinc/27/22/79/244272279.db2.gz JUSBXSCTMDEQKI-HNNXBMFYSA-N 0 0 348.472 2.350 40 0 EEABRN O=C(CN1CCCCCC1=O)N1CCC[C@@H](Cc2ccccn2)C1 ZINC000257252867 244273477 /nfs/dbraw/zinc/27/34/77/244273477.db2.gz JWKUZQGUHNJUDP-INIZCTEOSA-N 0 0 329.444 2.265 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 ZINC000257256861 244283967 /nfs/dbraw/zinc/28/39/67/244283967.db2.gz KNEUJKHDFRMWQE-INIZCTEOSA-N 0 0 343.402 2.499 40 0 EEABRN CC(C)(C)c1cc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)[nH]n1 ZINC000257268601 244371321 /nfs/dbraw/zinc/37/13/21/244371321.db2.gz MMJSWUNFYYSMMI-GFCCVEGCSA-N 0 0 342.447 2.174 40 0 EEABRN COCCC(=O)N1CCC2(C[C@H](N(C)c3ccccc3)CO2)CC1 ZINC000257277037 244394065 /nfs/dbraw/zinc/39/40/65/244394065.db2.gz NWFQIKHBPSFCAY-KRWDZBQOSA-N 0 0 332.444 2.309 40 0 EEABRN CC(C)C(=O)N1CCC[C@H](Cc2cc(-c3nccn3C)ncn2)C1 ZINC000257279981 244404326 /nfs/dbraw/zinc/40/43/26/244404326.db2.gz OIZMFGIYCLIZQL-CQSZACIVSA-N 0 0 327.432 2.314 40 0 EEABRN O=C(Cc1ccccn1)N1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257294836 244444588 /nfs/dbraw/zinc/44/45/88/244444588.db2.gz QVXWVKLVJCVNIA-SFHVURJKSA-N 0 0 349.394 2.009 40 0 EEABRN O=C(COc1ccc(F)cc1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257329204 244542943 /nfs/dbraw/zinc/54/29/43/244542943.db2.gz XIXZWUXRFOSFHM-ZDUSSCGKSA-N 0 0 345.374 2.205 40 0 EEABRN Cc1cc(=O)cc(C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)[nH]1 ZINC000019570391 212044568 /nfs/dbraw/zinc/04/45/68/212044568.db2.gz BYUIOTBVSWBDJX-UHFFFAOYSA-N 0 0 326.400 2.304 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019562023 212042224 /nfs/dbraw/zinc/04/22/24/212042224.db2.gz GZUDGLQTAWJZHZ-NSHDSACASA-N 0 0 340.408 2.318 40 0 EEABRN CCN1C[C@@H](C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)CC1=O ZINC000019526889 212038156 /nfs/dbraw/zinc/03/81/56/212038156.db2.gz XIMURUVDZOAWGN-GJZGRUSLSA-N 0 0 348.418 2.312 40 0 EEABRN C[C@@]1(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)CCCO1 ZINC000019461223 212031037 /nfs/dbraw/zinc/03/10/37/212031037.db2.gz RJRVSTKNYNCLAU-KXBFYZLASA-N 0 0 330.428 2.018 40 0 EEABRN O=C(c1ccccn1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000019399922 212026189 /nfs/dbraw/zinc/02/61/89/212026189.db2.gz HAGNARLAVSGAER-UHFFFAOYSA-N 0 0 334.379 2.338 40 0 EEABRN O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1c2c(sc1-n1cnnn1)CCC2 ZINC000049551881 214019457 /nfs/dbraw/zinc/01/94/57/214019457.db2.gz JTAVROOVMXUZJO-WOPDTQHZSA-N 0 0 341.440 2.155 40 0 EEABRN O=C(NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12)C1CC1 ZINC000019293219 212012480 /nfs/dbraw/zinc/01/24/80/212012480.db2.gz AGBIVVVAJGXEEN-UHFFFAOYSA-N 0 0 328.412 2.235 40 0 EEABRN Cc1cnc(C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)cn1 ZINC000019238995 212008383 /nfs/dbraw/zinc/00/83/83/212008383.db2.gz LEOGHUWJEVJBJY-UHFFFAOYSA-N 0 0 348.410 2.351 40 0 EEABRN COCCN(C(=O)C(C)C)c1nc2c(s1)CCc1c-2cnn1C ZINC000019085084 212000346 /nfs/dbraw/zinc/00/03/46/212000346.db2.gz MAILKNZKADZTTI-UHFFFAOYSA-N 0 0 334.445 2.278 40 0 EEABRN Cc1ccc(-c2noc(CSCCCN3C(=O)CNC3=O)n2)cc1 ZINC000078555710 217076195 /nfs/dbraw/zinc/07/61/95/217076195.db2.gz XXYGAWMNRSBANW-UHFFFAOYSA-N 0 0 346.412 2.220 40 0 EEABRN CCN(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000078556497 217077457 /nfs/dbraw/zinc/07/74/57/217077457.db2.gz PWTJWWPJHKTXSB-CVEARBPZSA-N 0 0 347.440 2.069 40 0 EEABRN CCN(CC)C(=O)CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643066 217092861 /nfs/dbraw/zinc/09/28/61/217092861.db2.gz HFTQVCLNXFAAIO-OAHLLOKOSA-N 0 0 337.851 2.246 40 0 EEABRN CC(=O)N(CCc1nc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000078774279 217118828 /nfs/dbraw/zinc/11/88/28/217118828.db2.gz MAEGVSOUVWCPQR-UHFFFAOYSA-N 0 0 325.372 2.061 40 0 EEABRN COc1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000078921852 217149384 /nfs/dbraw/zinc/14/93/84/217149384.db2.gz PHYPMEURGFTEEG-LBPRGKRZSA-N 0 0 334.313 2.429 40 0 EEABRN O=C(Cc1ccccc1F)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000078997948 217170107 /nfs/dbraw/zinc/17/01/07/217170107.db2.gz RVWYKPXMSRVBMX-HNNXBMFYSA-N 0 0 330.334 2.429 40 0 EEABRN O=C([C@H]1CCCN1c1ncnc2cccc(F)c21)N1CCSCC1 ZINC000079089682 217188812 /nfs/dbraw/zinc/18/88/12/217188812.db2.gz OBVHCDOZPGDICK-CQSZACIVSA-N 0 0 346.431 2.313 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 ZINC000079310340 217206889 /nfs/dbraw/zinc/20/68/89/217206889.db2.gz KFBGHFLQPKFCRM-ZJUUUORDSA-N 0 0 348.415 2.497 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)n1 ZINC000079334765 217210242 /nfs/dbraw/zinc/21/02/42/217210242.db2.gz QARZAMCAAGAONM-MRXNPFEDSA-N 0 0 348.491 2.481 40 0 EEABRN COc1c(Br)c(C)sc1C(=O)NCc1ccnn1C ZINC000079498820 217234864 /nfs/dbraw/zinc/23/48/64/217234864.db2.gz GCBOFFNYOBKESB-UHFFFAOYSA-N 0 0 344.234 2.491 40 0 EEABRN Cc1oncc1C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000080397970 217302593 /nfs/dbraw/zinc/30/25/93/217302593.db2.gz VJVQIWCNVFGXKY-UHFFFAOYSA-N 0 0 345.374 2.086 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000080695634 217326389 /nfs/dbraw/zinc/32/63/89/217326389.db2.gz SREBVILWCRRFBV-CHWSQXEVSA-N 0 0 338.477 2.368 40 0 EEABRN Cc1nnc([C@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)o1 ZINC000080925749 217341301 /nfs/dbraw/zinc/34/13/01/217341301.db2.gz RQXPIJHJCXNSQY-JSGCOSHPSA-N 0 0 329.404 2.493 40 0 EEABRN COC(=O)c1cc(N[C@H]2CCN(CC(F)(F)F)C2=O)ccc1C ZINC000081160453 217365289 /nfs/dbraw/zinc/36/52/89/217365289.db2.gz HOGPSTKBPCTOTA-LBPRGKRZSA-N 0 0 330.306 2.357 40 0 EEABRN C[C@@H](c1cccc(Cl)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000096495471 296232499 /nfs/dbraw/zinc/23/24/99/296232499.db2.gz YBMCPHLJEGHQDP-BBRMVZONSA-N 0 0 342.892 2.206 40 0 EEABRN CCCN(C[C@H]1CCCO1)C(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000012242117 211328470 /nfs/dbraw/zinc/32/84/70/211328470.db2.gz UTJHNGGAVYXZDC-GFCCVEGCSA-N 0 0 349.456 2.335 40 0 EEABRN Cc1ccc2c(c1)cc(C)c1nn(CC(=O)NC3CCCC3)c(=O)n12 ZINC000012181998 211311651 /nfs/dbraw/zinc/31/16/51/211311651.db2.gz PIYBCDRFIULVCJ-UHFFFAOYSA-N 0 0 338.411 2.325 40 0 EEABRN COc1ccc(C2(NC(=O)c3ccc(=O)[nH]n3)CCCCC2)cc1 ZINC000012143156 211305296 /nfs/dbraw/zinc/30/52/96/211305296.db2.gz OKZCHKMFRDYECL-UHFFFAOYSA-N 0 0 327.384 2.368 40 0 EEABRN Cc1sc2nc(C)n3c(nn(Cc4ccccn4)c3=O)c2c1C ZINC000012144889 211304666 /nfs/dbraw/zinc/30/46/66/211304666.db2.gz WVSRIAOJBUTFOP-UHFFFAOYSA-N 0 0 325.397 2.474 40 0 EEABRN CCc1nn(CC(=O)N2CCCCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000012115518 211293842 /nfs/dbraw/zinc/29/38/42/211293842.db2.gz IFKJGQSNTNMBTA-UHFFFAOYSA-N 0 0 342.399 2.126 40 0 EEABRN COc1ccc(OC)c2c1cc(C(=O)NCCn1ccc(C)n1)n2C ZINC000012148533 211308344 /nfs/dbraw/zinc/30/83/44/211308344.db2.gz IXKOYKVXARWHMW-UHFFFAOYSA-N 0 0 342.399 2.130 40 0 EEABRN CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000010285876 211161855 /nfs/dbraw/zinc/16/18/55/211161855.db2.gz SRALQAFQHQMFRE-UHFFFAOYSA-N 0 0 336.388 2.255 40 0 EEABRN O=S1(=O)CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000093048273 218190952 /nfs/dbraw/zinc/19/09/52/218190952.db2.gz FLEJJVADUNTYTI-UHFFFAOYSA-N 0 0 325.764 2.172 40 0 EEABRN Cc1nc(-c2cccc(NC(=O)[C@H](C)N3CCN(C)CC3)c2)[nH]c1C ZINC000095351171 218286257 /nfs/dbraw/zinc/28/62/57/218286257.db2.gz RVLCJXGUSZYLSQ-HNNXBMFYSA-N 0 0 341.459 2.268 40 0 EEABRN COc1cccc(C[NH+]2CCC(C(=O)Nc3ncccn3)CC2)c1 ZINC000095431555 218373788 /nfs/dbraw/zinc/37/37/88/218373788.db2.gz DRRNOCVVKQCGDV-UHFFFAOYSA-N 0 0 326.400 2.336 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096039105 218521204 /nfs/dbraw/zinc/52/12/04/218521204.db2.gz UFLARVHVCZDRTF-JKSUJKDBSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1csc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000096406771 218757448 /nfs/dbraw/zinc/75/74/48/218757448.db2.gz RHVOISSYTZCTHZ-GFCCVEGCSA-N 0 0 334.401 2.357 40 0 EEABRN Cc1cc(-c2cccc(F)c2)nnc1NC[C@H]1CCS(=O)(=O)C1 ZINC000096427318 218798664 /nfs/dbraw/zinc/79/86/64/218798664.db2.gz GYXRGJAZHBFVAZ-GFCCVEGCSA-N 0 0 335.404 2.438 40 0 EEABRN CCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 ZINC000096472313 218850542 /nfs/dbraw/zinc/85/05/42/218850542.db2.gz LMCUWSGCVQQZCG-ZDUSSCGKSA-N 0 0 338.835 2.408 40 0 EEABRN CCOC(=O)COc1cccc([C@@H]2NC(=O)c3ccccc3O2)c1 ZINC000004997927 210353566 /nfs/dbraw/zinc/35/35/66/210353566.db2.gz WFYCUFLTDYSGCI-GOSISDBHSA-N 0 0 327.336 2.450 40 0 EEABRN CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1 ZINC000004944481 210336266 /nfs/dbraw/zinc/33/62/66/210336266.db2.gz AIXYMWNGLUFAAQ-LBPRGKRZSA-N 0 0 345.424 2.375 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1cc(F)c(Cl)cc1F ZINC000097373140 219017125 /nfs/dbraw/zinc/01/71/25/219017125.db2.gz MQXSGSGFKKHGFR-UHFFFAOYSA-N 0 0 343.717 2.437 40 0 EEABRN CC(=O)N[C@H]1CCCN(c2ccnc3cc(Br)cnc32)C1 ZINC000097372938 219017406 /nfs/dbraw/zinc/01/74/06/219017406.db2.gz QQFBPTICXWPLNR-LBPRGKRZSA-N 0 0 349.232 2.497 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1coc(-c2ccccc2)n1 ZINC000097378209 219019158 /nfs/dbraw/zinc/01/91/58/219019158.db2.gz SLADFQXFHFQPGY-UHFFFAOYSA-N 0 0 340.339 2.160 40 0 EEABRN COC(=O)C1(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000134382247 533165830 /nfs/dbraw/zinc/16/58/30/533165830.db2.gz USPCDVVVCGRWHK-HNNXBMFYSA-N 0 0 335.375 2.051 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000186503231 255939042 /nfs/dbraw/zinc/93/90/42/255939042.db2.gz HZBASPOOVJYWNS-INIZCTEOSA-N 0 0 336.407 2.386 40 0 EEABRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)[C@@H]4CCOC4)C3)nc2c1 ZINC000273071069 256262807 /nfs/dbraw/zinc/26/28/07/256262807.db2.gz FQLBMCPHPADAKH-ZIAGYGMSSA-N 0 0 349.456 2.169 40 0 EEABRN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000281092191 257986543 /nfs/dbraw/zinc/98/65/43/257986543.db2.gz WAMAFCNZODZRDF-SNVBAGLBSA-N 0 0 346.474 2.377 40 0 EEABRN COC(=O)C1(C(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000330032926 258002513 /nfs/dbraw/zinc/00/25/13/258002513.db2.gz UYMOGQJVYCPAEQ-UHFFFAOYSA-N 0 0 338.201 2.287 40 0 EEABRN COc1cc(C)c(NC(=O)N2CCN(c3cnn(C)c3)CC2)cc1F ZINC000186759961 533583755 /nfs/dbraw/zinc/58/37/55/533583755.db2.gz VEJJJHITKDBMLM-UHFFFAOYSA-N 0 0 347.394 2.230 40 0 EEABRN O=C(CC(F)(F)F)N1CCN(c2ncnc3sccc32)CC1 ZINC000051180531 132179917 /nfs/dbraw/zinc/17/99/17/132179917.db2.gz UINCCFSDRGYURE-UHFFFAOYSA-N 0 0 330.335 2.292 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000057363972 132200143 /nfs/dbraw/zinc/20/01/43/132200143.db2.gz ZXKVZWKPQWNGDK-CRAIPNDOSA-N 0 0 331.460 2.209 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)[C@]1(C)CCCO1 ZINC000072337474 292026574 /nfs/dbraw/zinc/02/65/74/292026574.db2.gz VZASMRGQBXTVRV-IAISJRAMSA-N 0 0 326.400 2.195 40 0 EEABRN O=C(Cn1nnc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000171643203 227192106 /nfs/dbraw/zinc/19/21/06/227192106.db2.gz MWMNEPDKKNSYPE-GFCCVEGCSA-N 0 0 327.413 2.294 40 0 EEABRN CN1CCN(c2ncc3c(ccn(C4CCCCC4)c3=O)n2)CC1 ZINC000009290390 277115089 /nfs/dbraw/zinc/11/50/89/277115089.db2.gz MCZRSQCDTQCTIZ-UHFFFAOYSA-N 0 0 327.432 2.049 40 0 EEABRN COC(=O)[C@@H](c1ccccc1F)N1CCN(c2nccs2)CC1 ZINC000072558666 277343242 /nfs/dbraw/zinc/34/32/42/277343242.db2.gz NUUWCCGMCGLOHY-CQSZACIVSA-N 0 0 335.404 2.319 40 0 EEABRN CCN(CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000026505230 279170155 /nfs/dbraw/zinc/17/01/55/279170155.db2.gz AQJRNGNTYRXNLF-KGLIPLIRSA-N 0 0 339.486 2.186 40 0 EEABRN C[C@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000180749762 290316472 /nfs/dbraw/zinc/31/64/72/290316472.db2.gz UGIGBYNXHPAHDR-ZETCQYMHSA-N 0 0 343.817 2.332 40 0 EEABRN O=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1cccnc1 ZINC000096264526 295636485 /nfs/dbraw/zinc/63/64/85/295636485.db2.gz HWFIKOSPVVPMJZ-UHFFFAOYSA-N 0 0 327.409 2.486 40 0 EEABRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1 ZINC000195530925 297310133 /nfs/dbraw/zinc/31/01/33/297310133.db2.gz JMNMONKAZWAHBC-LYSGOOTNSA-N 0 0 326.849 2.372 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(C)o1 ZINC000183095146 301386289 /nfs/dbraw/zinc/38/62/89/301386289.db2.gz MQPUVEQDCSIZNR-OAHLLOKOSA-N 0 0 348.424 2.148 40 0 EEABRN Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1S(C)(=O)=O ZINC000012159876 303043575 /nfs/dbraw/zinc/04/35/75/303043575.db2.gz VWIXYUKATKYAAG-VIFPVBQESA-N 0 0 325.356 2.316 40 0 EEABRN Cc1cc(F)ccc1C1CCN(C(=O)NC[C@H]2CNC(=O)C2)CC1 ZINC000334128501 312243570 /nfs/dbraw/zinc/24/35/70/312243570.db2.gz RKFUZCOERCZNFI-CYBMUJFWSA-N 0 0 333.407 2.159 40 0 EEABRN CCn1cc(CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)cn1 ZINC000555849294 318603315 /nfs/dbraw/zinc/60/33/15/318603315.db2.gz UULMEEZOTRYQMI-ZDUSSCGKSA-N 0 0 326.400 2.091 40 0 EEABRN Cc1nnc(CN2CCOC[C@H]2CC(=O)c2ccccc2)n1C1CC1 ZINC000097095916 323320400 /nfs/dbraw/zinc/32/04/00/323320400.db2.gz IZCLXDVKLSBVNA-QGZVFWFLSA-N 0 0 340.427 2.395 40 0 EEABRN Cn1ncnc1S(=O)(=O)Cc1csc(-c2ccccc2F)n1 ZINC000191065426 323471626 /nfs/dbraw/zinc/47/16/26/323471626.db2.gz OYCUDMXJXJBGFN-UHFFFAOYSA-N 0 0 338.389 2.052 40 0 EEABRN CC(C)n1ncc2c1ncn(C[C@@H](O)CCc1ccccc1)c2=O ZINC000195562184 323513973 /nfs/dbraw/zinc/51/39/73/323513973.db2.gz YWMXPUCVKMJBEO-HNNXBMFYSA-N 0 0 326.400 2.168 40 0 EEABRN Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1nc2ccccc2s1 ZINC000390833996 323545310 /nfs/dbraw/zinc/54/53/10/323545310.db2.gz QDMMGXSZILOEJH-KRWDZBQOSA-N 0 0 343.408 2.156 40 0 EEABRN CN(C)S(=O)(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000390834535 323545622 /nfs/dbraw/zinc/54/56/22/323545622.db2.gz AXHHAMZPUOBOCD-AWEZNQCLSA-N 0 0 332.853 2.204 40 0 EEABRN O=C(Nc1ccc(-c2ccccc2)nn1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333890826 465035247 /nfs/dbraw/zinc/03/52/47/465035247.db2.gz GWLHSLGXOIPOLK-JYJNAYRXSA-N 0 0 338.411 2.768 40 0 EEABRN CC(C)Cn1ncc(Nc2nc3c(cnn3C)c(=O)[nH]2)c1C(C)C ZINC000329097885 465232136 /nfs/dbraw/zinc/23/21/36/465232136.db2.gz CLRYBPOFAXTEOJ-UHFFFAOYSA-N 0 0 329.408 2.788 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3c(F)cccc3F)cc2o1 ZINC000085433835 462546021 /nfs/dbraw/zinc/54/60/21/462546021.db2.gz UYXLUTUBYYRNOM-UHFFFAOYSA-N 0 0 326.280 2.200 40 0 EEABRN Cc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 ZINC000085436407 462547854 /nfs/dbraw/zinc/54/78/54/462547854.db2.gz SWRGMKQVMBLRIQ-UHFFFAOYSA-N 0 0 331.420 2.147 40 0 EEABRN Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccccn1 ZINC000085556579 462552980 /nfs/dbraw/zinc/55/29/80/462552980.db2.gz MDGMHCNOPRYYPQ-UHFFFAOYSA-N 0 0 336.351 2.141 40 0 EEABRN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000000411224 462558903 /nfs/dbraw/zinc/55/89/03/462558903.db2.gz CBJPBXQHVQOPKS-UHFFFAOYSA-N 0 0 348.406 2.471 40 0 EEABRN COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 ZINC000000410903 462559400 /nfs/dbraw/zinc/55/94/00/462559400.db2.gz IITOEZZOUCNMCJ-UHFFFAOYSA-N 0 0 348.428 2.456 40 0 EEABRN CCN(CCCNC(=O)NCCC(=O)NC(C)C)c1ccccc1 ZINC000045126765 462561414 /nfs/dbraw/zinc/56/14/14/462561414.db2.gz IYUPKWIDJNSLTF-UHFFFAOYSA-N 0 0 334.464 2.117 40 0 EEABRN CCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000420716 462561946 /nfs/dbraw/zinc/56/19/46/462561946.db2.gz FCZIRAOCLATWIQ-UHFFFAOYSA-N 0 0 331.323 2.443 40 0 EEABRN COC[C@](C)(O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1F ZINC000086585094 462578958 /nfs/dbraw/zinc/57/89/58/462578958.db2.gz AZYRGJVOMRYTOA-XPTSAGLGSA-N 0 0 348.212 2.033 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000128059415 462606105 /nfs/dbraw/zinc/60/61/05/462606105.db2.gz LZGHYCZZWGZMLJ-UHFFFAOYSA-N 0 0 344.436 2.038 40 0 EEABRN NC(=O)Cc1ccccc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000045723679 462610637 /nfs/dbraw/zinc/61/06/37/462610637.db2.gz BXVAQBPEWJYLTJ-OAHLLOKOSA-N 0 0 325.368 2.360 40 0 EEABRN CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003309171 462616474 /nfs/dbraw/zinc/61/64/74/462616474.db2.gz OBAHTIIBFLQXFY-CYBMUJFWSA-N 0 0 344.864 2.408 40 0 EEABRN Cc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000045866047 462626092 /nfs/dbraw/zinc/62/60/92/462626092.db2.gz NBEDHFPTHHTIOC-UHFFFAOYSA-N 0 0 325.411 2.199 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006324839 462681592 /nfs/dbraw/zinc/68/15/92/462681592.db2.gz GQZPHBRBKDDXDG-OLZOCXBDSA-N 0 0 342.461 2.155 40 0 EEABRN Cc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c1 ZINC000006680286 462695682 /nfs/dbraw/zinc/69/56/82/462695682.db2.gz CKCKAPOPHQQSHA-UHFFFAOYSA-N 0 0 340.426 2.265 40 0 EEABRN COc1cccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1OC ZINC000064408122 462701495 /nfs/dbraw/zinc/70/14/95/462701495.db2.gz ISHTZPLCYZPNFA-UHFFFAOYSA-N 0 0 341.367 2.147 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000007917123 462757055 /nfs/dbraw/zinc/75/70/55/462757055.db2.gz WIUWVQDRWVYBOT-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN COc1cccc(N2C[C@@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)c1 ZINC000007928726 462758570 /nfs/dbraw/zinc/75/85/70/462758570.db2.gz XOVKDRNSURUCEN-AWEZNQCLSA-N 0 0 339.347 2.466 40 0 EEABRN COCCNC(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000008105018 462767091 /nfs/dbraw/zinc/76/70/91/462767091.db2.gz AILHWRPRMULENK-AYPDRCFHSA-N 0 0 346.408 2.042 40 0 EEABRN Cc1nnsc1C(=O)N1CCC(CSc2nccn2C)CC1 ZINC000090608204 462802537 /nfs/dbraw/zinc/80/25/37/462802537.db2.gz DDUQVYNAMDWRFW-UHFFFAOYSA-N 0 0 337.474 2.225 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2cccc(F)c2)C1 ZINC000076374967 462850102 /nfs/dbraw/zinc/85/01/02/462850102.db2.gz FBJXGSFAZCOJGO-HUUCEWRRSA-N 0 0 327.421 2.230 40 0 EEABRN O=C1CN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CCN1 ZINC000013266526 462889302 /nfs/dbraw/zinc/88/93/02/462889302.db2.gz CCEHVCQDPNNKOC-UHFFFAOYSA-N 0 0 343.437 2.265 40 0 EEABRN O=C(NCCCn1ccnc1)Nc1c[nH]c2ccc(F)cc2c1=O ZINC000013565949 462895322 /nfs/dbraw/zinc/89/53/22/462895322.db2.gz ODAKTSRQGCMHIR-UHFFFAOYSA-N 0 0 329.335 2.488 40 0 EEABRN COc1ccc(OC)c(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000013937901 462905397 /nfs/dbraw/zinc/90/53/97/462905397.db2.gz ITZPWICQGUHUAO-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000014400029 462926557 /nfs/dbraw/zinc/92/65/57/462926557.db2.gz CHMDJHDNPSDITB-LBPRGKRZSA-N 0 0 340.807 2.408 40 0 EEABRN CCN(C[C@H]1COc2ccccc2O1)c1cc(-n2ccnc2)ncn1 ZINC000077188452 462949989 /nfs/dbraw/zinc/94/99/89/462949989.db2.gz OWQPKPIEXBDSKM-AWEZNQCLSA-N 0 0 337.383 2.329 40 0 EEABRN Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000015398216 462951531 /nfs/dbraw/zinc/95/15/31/462951531.db2.gz KOOTUWKFLFITIU-UHFFFAOYSA-N 0 0 344.436 2.469 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017086092 462996234 /nfs/dbraw/zinc/99/62/34/462996234.db2.gz YCCXBVVZKLHIAI-UHFFFAOYSA-N 0 0 346.408 2.366 40 0 EEABRN c1cnc(-c2cnc(N3CCSCC3)nc2[C@H]2CCCO2)cn1 ZINC000019403767 463017298 /nfs/dbraw/zinc/01/72/98/463017298.db2.gz ITVVRMWVNLWPAO-CQSZACIVSA-N 0 0 329.429 2.338 40 0 EEABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O ZINC000019696516 463021243 /nfs/dbraw/zinc/02/12/43/463021243.db2.gz OMZPSNFNRFEGRH-IBGZPJMESA-N 0 0 341.411 2.401 40 0 EEABRN CC(C)n1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3 ZINC000019962253 463024419 /nfs/dbraw/zinc/02/44/19/463024419.db2.gz TVAWAFIKHNRIDX-JTQLQIEISA-N 0 0 339.351 2.171 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000134402684 463034828 /nfs/dbraw/zinc/03/48/28/463034828.db2.gz YFNIKLLBWNKASQ-SMDDNHRTSA-N 0 0 346.349 2.387 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1OCC1CC1 ZINC000067943071 463070855 /nfs/dbraw/zinc/07/08/55/463070855.db2.gz KCQUFTWMVDHUET-HNNXBMFYSA-N 0 0 332.425 2.441 40 0 EEABRN Cc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)c2ccccn12 ZINC000078075654 463083022 /nfs/dbraw/zinc/08/30/22/463083022.db2.gz HRNOFFVSVUXDMX-UHFFFAOYSA-N 0 0 337.383 2.127 40 0 EEABRN CCCN1CCN(C(=O)CSc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000025854908 463142136 /nfs/dbraw/zinc/14/21/36/463142136.db2.gz UHXIQMKCSGOGSL-UHFFFAOYSA-N 0 0 345.472 2.118 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1 ZINC000135329969 463143572 /nfs/dbraw/zinc/14/35/72/463143572.db2.gz LIFSSYZBXDKPHR-JZXOWHBKSA-N 0 0 334.460 2.416 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)s1 ZINC000096038823 463144024 /nfs/dbraw/zinc/14/40/24/463144024.db2.gz SCXIMRCVQCWMIG-CZUORRHYSA-N 0 0 333.413 2.321 40 0 EEABRN Cc1occc1C(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042272 463147225 /nfs/dbraw/zinc/14/72/25/463147225.db2.gz FYBBZVNIAANEAX-YQQAZPJKSA-N 0 0 328.368 2.434 40 0 EEABRN O=C(c1cscn1)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042545 463147492 /nfs/dbraw/zinc/14/74/92/463147492.db2.gz KFNWBSKMWUBRHX-OAGGEKHMSA-N 0 0 345.424 2.127 40 0 EEABRN CC(=O)N1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC000096045428 463149349 /nfs/dbraw/zinc/14/93/49/463149349.db2.gz DZULFXHTSBTUBS-SFHVURJKSA-N 0 0 340.427 2.351 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1 ZINC000096064700 463163024 /nfs/dbraw/zinc/16/30/24/463163024.db2.gz ZLWDDKWXFNEPIW-HOTGVXAUSA-N 0 0 346.427 2.220 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)c2cc(C(C)C)nc(N(C)C)n2)n1 ZINC000096101138 463172828 /nfs/dbraw/zinc/17/28/28/463172828.db2.gz JFLKWMLLHHCKNE-UHFFFAOYSA-N 0 0 344.463 2.299 40 0 EEABRN Cc1cnc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)s1 ZINC000096100978 463173410 /nfs/dbraw/zinc/17/34/10/463173410.db2.gz LPGLETRUBGTFHU-UHFFFAOYSA-N 0 0 347.444 2.454 40 0 EEABRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cnn(C)c1 ZINC000096109824 463178030 /nfs/dbraw/zinc/17/80/30/463178030.db2.gz WYRRVIFUTJREJZ-CQSZACIVSA-N 0 0 338.415 2.167 40 0 EEABRN COC[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(C)cc1OC)C2 ZINC000096109144 463178180 /nfs/dbraw/zinc/17/81/80/463178180.db2.gz KRMBRSMNQYKTHB-PBHICJAKSA-N 0 0 339.457 2.441 40 0 EEABRN Cc1noc([C@@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)O2)n1 ZINC000096109968 463178208 /nfs/dbraw/zinc/17/82/08/463178208.db2.gz QIZZEVXXIVZKAK-AWEZNQCLSA-N 0 0 335.404 2.017 40 0 EEABRN Cc1ncoc1C(=O)N1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC000096109780 463178520 /nfs/dbraw/zinc/17/85/20/463178520.db2.gz BIVYDNQKLAPFJZ-LBPRGKRZSA-N 0 0 330.388 2.323 40 0 EEABRN CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000096112971 463179773 /nfs/dbraw/zinc/17/97/73/463179773.db2.gz CMOBABFQZSMOFM-ZWKOTPCHSA-N 0 0 343.471 2.387 40 0 biogenic,in-vitro EEABRN CN(CC(F)(F)F)C(=O)COc1nc(Cc2ccc(F)cc2)no1 ZINC000079031601 463181571 /nfs/dbraw/zinc/18/15/71/463181571.db2.gz ROCDRDXWXRGMAT-UHFFFAOYSA-N 0 0 347.268 2.199 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000096121977 463182425 /nfs/dbraw/zinc/18/24/25/463182425.db2.gz AXMFOHJAYQZFGD-UHFFFAOYSA-N 0 0 345.848 2.000 40 0 EEABRN Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1C ZINC000096121126 463182457 /nfs/dbraw/zinc/18/24/57/463182457.db2.gz NUNKTMZXCOEGFG-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CC(C)=CC(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000079063984 463185823 /nfs/dbraw/zinc/18/58/23/463185823.db2.gz XKDRXLKSSLMFFG-UHFFFAOYSA-N 0 0 329.400 2.099 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccco3)OCC(=O)N2C)cc1 ZINC000096181423 463194789 /nfs/dbraw/zinc/19/47/89/463194789.db2.gz XWWLTSDOYFHVHV-MSOLQXFVSA-N 0 0 342.395 2.145 40 0 EEABRN Cc1ccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)s1 ZINC000096188616 463199863 /nfs/dbraw/zinc/19/98/63/463199863.db2.gz WNTBDIVBSBMGGO-CQSZACIVSA-N 0 0 328.445 2.177 40 0 EEABRN COc1ncccc1CN1CCc2cnn(C)c2[C@H]1COCC1CC1 ZINC000096197779 463203285 /nfs/dbraw/zinc/20/32/85/463203285.db2.gz PDNXCHCHUFVWTB-QGZVFWFLSA-N 0 0 342.443 2.350 40 0 EEABRN O=C(c1ccoc1)N1CC[C@H]2[C@@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 ZINC000096207837 463210502 /nfs/dbraw/zinc/21/05/02/463210502.db2.gz ROISBYLSMWLHBN-RBSFLKMASA-N 0 0 343.383 2.260 40 0 EEABRN COc1ccccc1CNC(=O)CCn1cc(Br)cn1 ZINC000027968895 463211872 /nfs/dbraw/zinc/21/18/72/463211872.db2.gz ARJQEYXSRWZLFO-UHFFFAOYSA-N 0 0 338.205 2.361 40 0 EEABRN Cc1cc(CN2CCOC[C@H]2c2nccc(NC3CCC3)n2)no1 ZINC000096220443 463217357 /nfs/dbraw/zinc/21/73/57/463217357.db2.gz PLTAGOINONBPCU-HNNXBMFYSA-N 0 0 329.404 2.311 40 0 EEABRN CC(C)NC(=O)N1CCC[C@@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 ZINC000096223527 463219904 /nfs/dbraw/zinc/21/99/04/463219904.db2.gz GJYNGZYRXKXTFY-IEBWSBKVSA-N 0 0 346.475 2.255 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC000096226956 463221240 /nfs/dbraw/zinc/22/12/40/463221240.db2.gz DAJDEGLJNCORHD-RXVVDRJESA-N 0 0 349.434 2.179 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@]3(CCN3Cc3ccc(F)cc3)C2)cn1 ZINC000096228686 463222372 /nfs/dbraw/zinc/22/23/72/463222372.db2.gz WAGPJFAJKSRNJO-IBGZPJMESA-N 0 0 340.402 2.415 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096239625 463224372 /nfs/dbraw/zinc/22/43/72/463224372.db2.gz OXEAGEKKKQEGOQ-INIZCTEOSA-N 0 0 347.369 2.183 40 0 EEABRN O=C(c1c[nH]cn1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096239626 463224757 /nfs/dbraw/zinc/22/47/57/463224757.db2.gz HFUDEGTYXFWYSA-MRXNPFEDSA-N 0 0 347.369 2.183 40 0 EEABRN O=C(c1cccc(F)c1)N1CC[C@@H]2CN(c3ncccn3)CC[C@@H]21 ZINC000096249216 463227631 /nfs/dbraw/zinc/22/76/31/463227631.db2.gz PDQNEJWEILKDPV-ZBFHGGJFSA-N 0 0 326.375 2.357 40 0 EEABRN CC(C)Nc1ncnc2c1CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096255523 463229064 /nfs/dbraw/zinc/22/90/64/463229064.db2.gz ZXBYHFVOONNHSN-UHFFFAOYSA-N 0 0 346.456 2.086 40 0 EEABRN Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3)C2)no1 ZINC000096403738 463238019 /nfs/dbraw/zinc/23/80/19/463238019.db2.gz PLQYXZURQBNALA-ZDUSSCGKSA-N 0 0 328.372 2.031 40 0 EEABRN C[C@@H](C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)n1cccn1 ZINC000096406483 463240394 /nfs/dbraw/zinc/24/03/94/463240394.db2.gz HVWFLGQSIFNTDW-HOCLYGCPSA-N 0 0 326.400 2.098 40 0 EEABRN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000096409481 463242418 /nfs/dbraw/zinc/24/24/18/463242418.db2.gz APRZVRDIVKSINQ-GMTAPVOTSA-N 0 0 338.395 2.188 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096410692 463243334 /nfs/dbraw/zinc/24/33/34/463243334.db2.gz QHXPDGGSTXNEJU-KRWDZBQOSA-N 0 0 344.463 2.301 40 0 EEABRN CC(C)CCC(=O)NCC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000096411282 463244246 /nfs/dbraw/zinc/24/42/46/463244246.db2.gz KSMGGKJZTHIITE-RHSMWYFYSA-N 0 0 326.481 2.496 40 0 EEABRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc(N)nc(N(C)C)n1 ZINC000096413237 463246355 /nfs/dbraw/zinc/24/63/55/463246355.db2.gz WYFOYDNJILVPNN-YPMHNXCESA-N 0 0 330.411 2.037 40 0 EEABRN CCCn1nc(C(=O)NCCc2cc3ccccc3o2)ccc1=O ZINC000096417066 463249156 /nfs/dbraw/zinc/24/91/56/463249156.db2.gz XADSCMGEKYPJIX-UHFFFAOYSA-N 0 0 325.368 2.372 40 0 EEABRN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccon2)CC1 ZINC000096419555 463250074 /nfs/dbraw/zinc/25/00/74/463250074.db2.gz CRDYSJHRRFMUDX-INIZCTEOSA-N 0 0 349.818 2.360 40 0 EEABRN CC[C@@H](C)c1cc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)on1 ZINC000096422369 463253939 /nfs/dbraw/zinc/25/39/39/463253939.db2.gz ZVTSBACENRHRRD-MWLCHTKSSA-N 0 0 347.337 2.423 40 0 EEABRN COc1ccc(CNC(=O)CNC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000096425075 463254670 /nfs/dbraw/zinc/25/46/70/463254670.db2.gz DLECIJCCFDHMQY-ZDUSSCGKSA-N 0 0 344.386 2.370 40 0 EEABRN CC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000096426658 463255703 /nfs/dbraw/zinc/25/57/03/463255703.db2.gz MEUQMKSMPQQMNN-KRWDZBQOSA-N 0 0 346.452 2.459 40 0 EEABRN COC(CN1CCN(Cc2ccc(Br)s2)CC1)OC ZINC000136733486 463256393 /nfs/dbraw/zinc/25/63/93/463256393.db2.gz PCBUBCUCJUEXHY-UHFFFAOYSA-N 0 0 349.294 2.247 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@@](C)(CC)c2nc(C)cs2)cn1 ZINC000096428301 463258172 /nfs/dbraw/zinc/25/81/72/463258172.db2.gz AZGGGNHPONUZDY-ZDUSSCGKSA-N 0 0 328.463 2.272 40 0 EEABRN CC(C)[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCS1 ZINC000096428760 463259299 /nfs/dbraw/zinc/25/92/99/463259299.db2.gz DXKNEFFBLCUGQJ-GFCCVEGCSA-N 0 0 325.459 2.325 40 0 EEABRN CCc1nsc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)n1 ZINC000096432235 463261089 /nfs/dbraw/zinc/26/10/89/463261089.db2.gz KAMSZOQXICGLRG-UHFFFAOYSA-N 0 0 337.836 2.111 40 0 EEABRN Cn1cc([C@H](O)CNC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000096440650 463266869 /nfs/dbraw/zinc/26/68/69/463266869.db2.gz OYSIESSOYSTUIE-BPQIPLTHSA-N 0 0 342.443 2.164 40 0 EEABRN COc1ccsc1C(=O)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000096449843 463272098 /nfs/dbraw/zinc/27/20/98/463272098.db2.gz ZXRXXMVULQHMAF-UHFFFAOYSA-N 0 0 338.820 2.163 40 0 EEABRN Cc1c(Br)cccc1S(=O)(=O)N(C)C[C@H]1CCOC1 ZINC000096454047 463274369 /nfs/dbraw/zinc/27/43/69/463274369.db2.gz HJMJRXXFWJPUIJ-LLVKDONJSA-N 0 0 348.262 2.415 40 0 EEABRN Cn1c(CO)cnc1S[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096455737 463275133 /nfs/dbraw/zinc/27/51/33/463275133.db2.gz MFTYWHUGWHKKCY-ZDUSSCGKSA-N 0 0 337.832 2.463 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)ncc1Br ZINC000096456274 463275504 /nfs/dbraw/zinc/27/55/04/463275504.db2.gz DHTBBHUUEMBHQF-VIFPVBQESA-N 0 0 349.250 2.303 40 0 EEABRN Cc1cnn(CCC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000096456000 463275631 /nfs/dbraw/zinc/27/56/31/463275631.db2.gz LRVRSCMMEFANHW-HNNXBMFYSA-N 0 0 346.818 2.157 40 0 EEABRN Cn1ncnc1CCNC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000096461521 463276375 /nfs/dbraw/zinc/27/63/75/463276375.db2.gz FPQIXEXPNRMSPU-IAGOWNOFSA-N 0 0 341.459 2.458 40 0 EEABRN C/C=C/CS(=O)(=O)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000096475919 463280310 /nfs/dbraw/zinc/28/03/10/463280310.db2.gz SBMRNQNGDMCSIN-ZWNMCFTASA-N 0 0 331.384 2.475 40 0 EEABRN COc1ccc2ccccc2c1-c1cc(CN2CCNC(=O)C2)on1 ZINC000096496384 463288751 /nfs/dbraw/zinc/28/87/51/463288751.db2.gz BLMMRLZBUHKATR-UHFFFAOYSA-N 0 0 337.379 2.435 40 0 EEABRN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@H](C)c1cccs1 ZINC000055291921 463305889 /nfs/dbraw/zinc/30/58/89/463305889.db2.gz KIXSZAXRBVOEBH-SECBINFHSA-N 0 0 343.430 2.030 40 0 EEABRN Cc1nc(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)c2ccccn12 ZINC000097227558 463350308 /nfs/dbraw/zinc/35/03/08/463350308.db2.gz ZONBGLOUAPGBKN-CYBMUJFWSA-N 0 0 339.374 2.186 40 0 EEABRN CC(=O)N1CCC(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000097234243 463352574 /nfs/dbraw/zinc/35/25/74/463352574.db2.gz LGHDXLJRSSYFSW-QGZVFWFLSA-N 0 0 347.463 2.295 40 0 EEABRN Cc1ccnn1CC(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000071195782 463411278 /nfs/dbraw/zinc/41/12/78/463411278.db2.gz UTXNKUGHOHBUGJ-INIZCTEOSA-N 0 0 348.410 2.237 40 0 EEABRN COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000072227051 463484585 /nfs/dbraw/zinc/48/45/85/463484585.db2.gz QNFGNEKYGDXYBN-MSOLQXFVSA-N 0 0 326.396 2.423 40 0 EEABRN CCOC(=O)[C@@H](C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327511 463509912 /nfs/dbraw/zinc/50/99/12/463509912.db2.gz QDEKUHMSPGWBFV-BFUOFWGJSA-N 0 0 345.395 2.355 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)OCCNc1ncnc2ccccc21 ZINC000083943617 463567493 /nfs/dbraw/zinc/56/74/93/463567493.db2.gz JKFGCYCKABAHEX-UHFFFAOYSA-N 0 0 325.372 2.249 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000107772921 463582209 /nfs/dbraw/zinc/58/22/09/463582209.db2.gz PKKWFROPYGJNRV-UONOGXRCSA-N 0 0 326.462 2.373 40 0 EEABRN O=C(c1cscn1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000108533526 463611838 /nfs/dbraw/zinc/61/18/38/463611838.db2.gz XUSWFYJKAXXPNG-UHFFFAOYSA-N 0 0 333.457 2.398 40 0 EEABRN COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059315850 463641701 /nfs/dbraw/zinc/64/17/01/463641701.db2.gz RHOCFCVNBKTXIX-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000060049745 463647740 /nfs/dbraw/zinc/64/77/40/463647740.db2.gz IICQFKVIAGMFQS-UHFFFAOYSA-N 0 0 349.408 2.454 40 0 EEABRN C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C)Cc1cccc(F)c1 ZINC000073891332 463666468 /nfs/dbraw/zinc/66/64/68/463666468.db2.gz ZVILMXKGFLRFCN-STQMWFEESA-N 0 0 327.421 2.040 40 0 EEABRN O=C(CSC1=NCCS1)N1CCN(Cc2cccs2)CC1 ZINC000073924288 463670707 /nfs/dbraw/zinc/67/07/07/463670707.db2.gz BRPCLZFYDHSPEL-UHFFFAOYSA-N 0 0 341.527 2.228 40 0 EEABRN COc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc32)cc1F ZINC000044870298 463697218 /nfs/dbraw/zinc/69/72/18/463697218.db2.gz AUJOBJXXVDRATM-NSHDSACASA-N 0 0 328.347 2.456 40 0 EEABRN Cc1ccc(NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000193409915 463711396 /nfs/dbraw/zinc/71/13/96/463711396.db2.gz OPSWHKJBOHYDKN-UHFFFAOYSA-N 0 0 329.444 2.268 40 0 EEABRN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000257283572 463761576 /nfs/dbraw/zinc/76/15/76/463761576.db2.gz OYWMTVFRYWZVJC-QGZVFWFLSA-N 0 0 348.410 2.476 40 0 EEABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2cnccn2)C1 ZINC000257291028 463763999 /nfs/dbraw/zinc/76/39/99/463763999.db2.gz QFGWUQYPJRIGMD-AWEZNQCLSA-N 0 0 325.368 2.268 40 0 EEABRN Cc1c[nH]nc1[C@H]1COCCN1C(=O)CCN1CCc2ccccc21 ZINC000257289826 463764061 /nfs/dbraw/zinc/76/40/61/463764061.db2.gz QAIPHRWAYBJUQG-QGZVFWFLSA-N 0 0 340.427 2.071 40 0 EEABRN CNc1cncc([C@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000257305444 463770472 /nfs/dbraw/zinc/77/04/72/463770472.db2.gz SPZPOONKQHSRCH-MRXNPFEDSA-N 0 0 346.456 2.259 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)on1 ZINC000257310581 463773393 /nfs/dbraw/zinc/77/33/93/463773393.db2.gz UFTDAQJYJDJFLX-MRXNPFEDSA-N 0 0 342.399 2.245 40 0 EEABRN Cc1c(C(=O)N2CCO[C@H](c3cnccn3)C2)c2ccccc2n1C ZINC000257313410 463773426 /nfs/dbraw/zinc/77/34/26/463773426.db2.gz USHCVDFPXMIEGJ-KRWDZBQOSA-N 0 0 336.395 2.490 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)nc(C)n1 ZINC000257312977 463773684 /nfs/dbraw/zinc/77/36/84/463773684.db2.gz UQMHUCNDGVLXQZ-INIZCTEOSA-N 0 0 342.399 2.174 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)CCn3nccc3C)CCN2C)cc1 ZINC000257312658 463773703 /nfs/dbraw/zinc/77/37/03/463773703.db2.gz UOZYLCYJDSMQEM-SFHVURJKSA-N 0 0 342.443 2.106 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccccn1 ZINC000257311760 463773933 /nfs/dbraw/zinc/77/39/33/463773933.db2.gz UKWLIWCRWJMDQK-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@@H]1c1nc(C)ncc1CN(C)C ZINC000257312597 463774000 /nfs/dbraw/zinc/77/40/00/463774000.db2.gz UOSQYXLDMCPDBB-CQSZACIVSA-N 0 0 329.404 2.120 40 0 EEABRN CNC(=O)CCCS(=O)(=O)c1nccn1-c1ccc(C(C)C)cc1 ZINC000195138878 464002274 /nfs/dbraw/zinc/00/22/74/464002274.db2.gz XEFQBYVMCMKCRC-UHFFFAOYSA-N 0 0 349.456 2.296 40 0 EEABRN O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000195530065 464071546 /nfs/dbraw/zinc/07/15/46/464071546.db2.gz MJSYHBQDOSGQOS-FSPWUOQZSA-N 0 0 343.448 2.494 40 0 EEABRN COc1ccc(OC)c(NC(=O)CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000279769247 464146843 /nfs/dbraw/zinc/14/68/43/464146843.db2.gz MZLSXNNUCMXJHZ-MRXNPFEDSA-N 0 0 336.432 2.389 40 0 EEABRN CN(C)c1ncc(NC(=O)COc2ccc(Cl)cc2)c(N(C)C)n1 ZINC000224350149 464151612 /nfs/dbraw/zinc/15/16/12/464151612.db2.gz YOMNLIUQYFDXLG-UHFFFAOYSA-N 0 0 349.822 2.280 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000225448567 464161327 /nfs/dbraw/zinc/16/13/27/464161327.db2.gz QRNHDIKPLURFRS-LBPRGKRZSA-N 0 0 344.864 2.363 40 0 EEABRN OC[C@H](CNc1cc(N2CCSCC2)ncn1)c1ccccc1 ZINC000225480650 464163441 /nfs/dbraw/zinc/16/34/41/464163441.db2.gz IMXKEEPKZHMOLM-HNNXBMFYSA-N 0 0 330.457 2.218 40 0 EEABRN CCc1cc2nncn2c(SCC(=O)Nc2cccc(OC)c2)n1 ZINC000279949161 464168451 /nfs/dbraw/zinc/16/84/51/464168451.db2.gz MZTQYOOWZAVCNP-UHFFFAOYSA-N 0 0 343.412 2.426 40 0 EEABRN O=C(NC1CCN(c2nccs2)CC1)N[C@H]1CCCc2c[nH]nc21 ZINC000225582681 464173925 /nfs/dbraw/zinc/17/39/25/464173925.db2.gz KWRAZCHOGUYRMZ-ZDUSSCGKSA-N 0 0 346.460 2.212 40 0 EEABRN Cc1ccc(NCCCNC(=O)C2CCN(CC(F)F)CC2)nc1 ZINC000280969472 464283791 /nfs/dbraw/zinc/28/37/91/464283791.db2.gz ODIOBSFQMKCQIJ-UHFFFAOYSA-N 0 0 340.418 2.285 40 0 EEABRN CCN(CC)c1ncc(CN2CCOC[C@@H]2c2nc(C)no2)s1 ZINC000188478189 464291560 /nfs/dbraw/zinc/29/15/60/464291560.db2.gz CMAMGSBCJFXNHX-CYBMUJFWSA-N 0 0 337.449 2.254 40 0 EEABRN CCOC(=O)Cn1cc(I)c(C(F)(F)F)n1 ZINC000238853258 464439359 /nfs/dbraw/zinc/43/93/59/464439359.db2.gz IVKJMGJIWZMDCF-UHFFFAOYSA-N 0 0 348.062 2.070 40 0 EEABRN O=S(=O)(N[C@]1(C(F)(F)F)CCOC1)c1ccc2c(c1)CCC2 ZINC000240412732 464446411 /nfs/dbraw/zinc/44/64/11/464446411.db2.gz FNWOQLOGCJPXLU-CYBMUJFWSA-N 0 0 335.347 2.175 40 0 EEABRN CCOc1ccc(NC(=O)N2CCN(c3ncccc3F)CC2)cn1 ZINC000241590556 464454578 /nfs/dbraw/zinc/45/45/78/464454578.db2.gz PFYIUMDOEXELGU-UHFFFAOYSA-N 0 0 345.378 2.369 40 0 EEABRN COc1ccc(-c2nnc(NC(=O)N[C@H]3C[C@H](O)C3(C)C)s2)cc1 ZINC000189398233 464493879 /nfs/dbraw/zinc/49/38/79/464493879.db2.gz DDZQMOUTNFKMCB-RYUDHWBXSA-N 0 0 348.428 2.495 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1c(F)cc(Cl)cc1Cl ZINC000285367426 464539278 /nfs/dbraw/zinc/53/92/78/464539278.db2.gz WZHALGRRAHWPQM-LURJTMIESA-N 0 0 343.207 2.351 40 0 EEABRN COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000189921346 464563608 /nfs/dbraw/zinc/56/36/08/464563608.db2.gz LZOQDEBNOHKKHO-OLZOCXBDSA-N 0 0 332.408 2.225 40 0 EEABRN Cc1cccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)n1 ZINC000247859970 464711103 /nfs/dbraw/zinc/71/11/03/464711103.db2.gz FOUPCEYZMWPNOB-RBUKOAKNSA-N 0 0 342.443 2.037 40 0 EEABRN Cc1csc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)n1 ZINC000247933495 464715472 /nfs/dbraw/zinc/71/54/72/464715472.db2.gz DCZYOOQYRCOFNG-ZDUSSCGKSA-N 0 0 347.488 2.292 40 0 EEABRN CC(C)C(=O)N1Cc2nnn(C)c2[C@@H](COCc2ccccc2)C1 ZINC000248018111 464724291 /nfs/dbraw/zinc/72/42/91/464724291.db2.gz DQISMAWIHOHMIX-OAHLLOKOSA-N 0 0 328.416 2.114 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)s1 ZINC000248058123 464726335 /nfs/dbraw/zinc/72/63/35/464726335.db2.gz ZDZQOOPISGIBOU-ZDUSSCGKSA-N 0 0 332.429 2.306 40 0 EEABRN CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000176727196 464834092 /nfs/dbraw/zinc/83/40/92/464834092.db2.gz GJQVLCGOVWTYCH-OAHLLOKOSA-N 0 0 349.408 2.287 40 0 EEABRN C[C@@H](c1nnnn1C1CC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000192061617 464857588 /nfs/dbraw/zinc/85/75/88/464857588.db2.gz CIOZFQXCPYEKNL-BBRMVZONSA-N 0 0 335.452 2.119 40 0 EEABRN Nc1nnc(CCNC(=O)c2ccc(SC(F)(F)F)cc2)o1 ZINC000276340960 464896931 /nfs/dbraw/zinc/89/69/31/464896931.db2.gz JPTYWSGVVKJLOR-UHFFFAOYSA-N 0 0 332.307 2.236 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000252476840 464957220 /nfs/dbraw/zinc/95/72/20/464957220.db2.gz CIPODANPHBTBBI-VNQPRFMTSA-N 0 0 338.473 2.397 40 0 EEABRN Cc1ccc(C(=O)NCCNc2ncnc3c2cnn3C)c(Cl)c1 ZINC000252480479 464960373 /nfs/dbraw/zinc/96/03/73/464960373.db2.gz CAWYKVQLNLCEIA-UHFFFAOYSA-N 0 0 344.806 2.167 40 0 EEABRN O=C(c1n[nH]c2c1CCCCC2)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000252501745 464972103 /nfs/dbraw/zinc/97/21/03/464972103.db2.gz UJDRKAUZMIQDMV-AWEZNQCLSA-N 0 0 347.459 2.336 40 0 EEABRN COC(=O)CCCc1nc(CN2C(=O)c3ccccc3C2=O)cs1 ZINC000252503339 464972359 /nfs/dbraw/zinc/97/23/59/464972359.db2.gz VBNNFCRQLGBGKW-UHFFFAOYSA-N 0 0 344.392 2.435 40 0 EEABRN C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000253369599 464993378 /nfs/dbraw/zinc/99/33/78/464993378.db2.gz FKXGBEQOESQGSR-IHRRRGAJSA-N 0 0 333.436 2.028 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253392595 464997553 /nfs/dbraw/zinc/99/75/53/464997553.db2.gz HBVIYICPAMINPQ-SNVBAGLBSA-N 0 0 347.337 2.288 40 0 EEABRN CC(C)(C)n1ncnc1CN1CCCN(C(=O)c2cccs2)CC1 ZINC000253392880 464997853 /nfs/dbraw/zinc/99/78/53/464997853.db2.gz ZJCYEXFYIIOGFY-UHFFFAOYSA-N 0 0 347.488 2.443 40 0 EEABRN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)n[nH]1 ZINC000253413723 465003420 /nfs/dbraw/zinc/00/34/20/465003420.db2.gz KWYDODNPWKEWII-UHFFFAOYSA-N 0 0 348.353 2.487 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000253472020 465015373 /nfs/dbraw/zinc/01/53/73/465015373.db2.gz HWMHIRUIFMPTHP-AWEZNQCLSA-N 0 0 329.404 2.167 40 0 EEABRN CCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000253454735 465015391 /nfs/dbraw/zinc/01/53/91/465015391.db2.gz ASWYXKGKZZUGRN-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000362248746 465604792 /nfs/dbraw/zinc/60/47/92/465604792.db2.gz FDRBXWJIAGRZRD-INIZCTEOSA-N 0 0 347.374 2.258 40 0 EEABRN CS(=O)(=O)N1CCC2(Cc3ncc(-c4ccsc4)n3C2)CC1 ZINC000306133921 466492258 /nfs/dbraw/zinc/49/22/58/466492258.db2.gz MZFUFVGTKNCPPS-UHFFFAOYSA-N 0 0 337.470 2.210 40 0 EEABRN COCCN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O ZINC000409209509 466686726 /nfs/dbraw/zinc/68/67/26/466686726.db2.gz FZMNXJIDASUBEY-UKTHLTGXSA-N 0 0 331.349 2.476 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NC1(c2cccs2)CCOCC1 ZINC000390827865 467412304 /nfs/dbraw/zinc/41/23/04/467412304.db2.gz LHUNXPVPHZMJDM-UHFFFAOYSA-N 0 0 342.442 2.337 40 0 EEABRN C[C@@H](C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)n1cncn1 ZINC000390835389 467415250 /nfs/dbraw/zinc/41/52/50/467415250.db2.gz MGNBXEIOHGBHCY-TVQRCGJNSA-N 0 0 343.214 2.386 40 0 EEABRN O=C([O-])C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514288888 467941640 /nfs/dbraw/zinc/94/16/40/467941640.db2.gz GQZXXLYEZXWBTF-STQMWFEESA-N 0 0 328.416 2.466 40 0 biogenic,in-vitro EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000575403446 468140864 /nfs/dbraw/zinc/14/08/64/468140864.db2.gz KZVJREMRYXSOIP-PIMMBPRGSA-N 0 0 336.432 2.433 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccccc1)CO2 ZINC000575406546 468142468 /nfs/dbraw/zinc/14/24/68/468142468.db2.gz YVQMAUFRBFGIQL-INMHGKMJSA-N 0 0 342.439 2.080 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575605416 468145839 /nfs/dbraw/zinc/14/58/39/468145839.db2.gz PDSBGDQEGBHDDQ-LBPRGKRZSA-N 0 0 332.335 2.165 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1cnc3ccccc3c1)[C@H]2C ZINC000585096723 468964759 /nfs/dbraw/zinc/96/47/59/468964759.db2.gz BGBWSBXOBJFCLS-LBPRGKRZSA-N 0 0 337.383 2.190 40 0 EEABRN Cc1cc(CN2CCn3c(COc4cccnc4)nnc3[C@@H]2C)no1 ZINC000585097292 468965694 /nfs/dbraw/zinc/96/56/94/468965694.db2.gz JUDJDNSBTYIEBK-ZDUSSCGKSA-N 0 0 340.387 2.125 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)o1 ZINC000585112422 468974725 /nfs/dbraw/zinc/97/47/25/468974725.db2.gz POWLFHPJKLFSDJ-INIZCTEOSA-N 0 0 328.416 2.354 40 0 EEABRN CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585278386 469003124 /nfs/dbraw/zinc/00/31/24/469003124.db2.gz SBSQFKXPTAQUPS-IBGZPJMESA-N 0 0 344.386 2.460 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)cn1 ZINC000585278245 469003687 /nfs/dbraw/zinc/00/36/87/469003687.db2.gz ABNTZTGFVSSALI-NVXWUHKLSA-N 0 0 326.396 2.156 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585277805 469003738 /nfs/dbraw/zinc/00/37/38/469003738.db2.gz PJOOJGANFPIDHD-LJQANCHMSA-N 0 0 341.411 2.404 40 0 EEABRN CO[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585288243 469009053 /nfs/dbraw/zinc/00/90/53/469009053.db2.gz SGFGSTQQNKLMSU-KVSKMBFKSA-N 0 0 341.411 2.132 40 0 EEABRN CCc1nc(CN[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)no1 ZINC000585289021 469009611 /nfs/dbraw/zinc/00/96/11/469009611.db2.gz CXJJSWKBBWYUHS-HDMKZQKVSA-N 0 0 331.416 2.391 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/c2ccnn2C)C[C@@H]1O ZINC000585290670 469012202 /nfs/dbraw/zinc/01/22/02/469012202.db2.gz ZTOJTHNQUHCPDP-KRZVHVFCSA-N 0 0 339.439 2.194 40 0 EEABRN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Br)cs1 ZINC000682610221 486516719 /nfs/dbraw/zinc/51/67/19/486516719.db2.gz IIPPIYAYSOMPNL-ARENWVFISA-N 0 0 343.246 2.237 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)OCC[C@@H]2COCC1CCOCC1 ZINC000248053038 501015291 /nfs/dbraw/zinc/01/52/91/501015291.db2.gz XPCWDHSNRONUIH-MRXNPFEDSA-N 0 0 349.427 2.262 40 0 EEABRN COc1ccc(F)cc1CNC(=O)N1CCC(c2nncn2C)CC1 ZINC000187752905 533935249 /nfs/dbraw/zinc/93/52/49/533935249.db2.gz WPNPKMRVZCGVMT-UHFFFAOYSA-N 0 0 347.394 2.052 40 0 EEABRN CCO[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000390834054 520460263 /nfs/dbraw/zinc/46/02/63/520460263.db2.gz RAQJYZPTNOHFMH-HNNXBMFYSA-N 0 0 334.397 2.050 40 0 EEABRN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2cnc(N(C)C)nc2)no1 ZINC000154684824 528307405 /nfs/dbraw/zinc/30/74/05/528307405.db2.gz QYKIABOAGGVKRU-LBPRGKRZSA-N 0 0 345.407 2.418 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cnn(C(C)C)c1)CC2 ZINC000191559781 528387120 /nfs/dbraw/zinc/38/71/20/528387120.db2.gz GFHGAXBMDLDCAV-UHFFFAOYSA-N 0 0 348.472 2.325 40 0 EEABRN CCN(CC)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225951866 535443342 /nfs/dbraw/zinc/44/33/42/535443342.db2.gz GZJPCLMGVQMSIZ-ZDUSSCGKSA-N 0 0 332.853 2.189 40 0 EEABRN CCOc1cccc(S(=O)(=O)NC[C@H]2CCCn3cc(C)nc32)c1 ZINC000241930309 535471646 /nfs/dbraw/zinc/47/16/46/535471646.db2.gz UHMXHZUPVZSCLX-CQSZACIVSA-N 0 0 349.456 2.446 40 0 EEABRN CCc1nnsc1C(=O)N[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257254955 535870588 /nfs/dbraw/zinc/87/05/88/535870588.db2.gz KFLYKOJYCVNWQT-GFCCVEGCSA-N 0 0 331.445 2.203 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCCC(C)C)cc2sc1=O ZINC000225691139 536002933 /nfs/dbraw/zinc/00/29/33/536002933.db2.gz MSZLBPOFWCBYIP-UHFFFAOYSA-N 0 0 328.459 2.407 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)no1 ZINC000257254112 536107372 /nfs/dbraw/zinc/10/73/72/536107372.db2.gz KBRHELTYJAAKCJ-JTQLQIEISA-N 0 0 340.387 2.110 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)n1 ZINC000257218785 536421580 /nfs/dbraw/zinc/42/15/80/536421580.db2.gz DEKMDFONHYHKEE-CQSZACIVSA-N 0 0 340.383 2.267 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)c2ncccn2)cc1Cl ZINC000225753895 536607222 /nfs/dbraw/zinc/60/72/22/536607222.db2.gz MNPZQQKSIZRSOP-UHFFFAOYSA-N 0 0 327.793 2.272 40 0 EEABRN COc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H](C)O)cc1 ZINC000096184278 1357932241 /nfs/dbraw/zinc/93/22/41/1357932241.db2.gz QYHICOZNDUCXDX-OAUYIBNBSA-N 0 0 343.452 2.444 40 0 EEABRN O=S(=O)(CCc1cccc(F)c1)N1CCC[C@@H]1c1ncccn1 ZINC000907340721 784537271 /nfs/dbraw/zinc/53/72/71/784537271.db2.gz VXVYMMRQRBXUOF-OAHLLOKOSA-N 0 0 335.404 2.325 40 0 EEABRN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000057952614 214466460 /nfs/dbraw/zinc/46/64/60/214466460.db2.gz MPFNXQCUJHCJIM-MRXNPFEDSA-N 0 0 347.415 2.327 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000187128175 529607469 /nfs/dbraw/zinc/60/74/69/529607469.db2.gz LRRWWWYTMMHNCP-CQSZACIVSA-N 0 0 348.472 2.257 40 0 EEABRN COc1cccc(CNC(=O)C2CCN(c3cnccn3)CC2)c1 ZINC000004355539 210179333 /nfs/dbraw/zinc/17/93/33/210179333.db2.gz MSZDSTOAKXVQCK-UHFFFAOYSA-N 0 0 326.400 2.018 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000191125695 529902723 /nfs/dbraw/zinc/90/27/23/529902723.db2.gz PWVJRJPSOYMFMH-SJORKVTESA-N 0 0 331.460 2.421 40 0 EEABRN COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C ZINC000004161287 210135467 /nfs/dbraw/zinc/13/54/67/210135467.db2.gz PNZOWWOVTYQMHW-UHFFFAOYSA-N 0 0 348.472 2.086 40 0 EEABRN CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000003844194 210078562 /nfs/dbraw/zinc/07/85/62/210078562.db2.gz IBVVUILUZISAHF-AWEZNQCLSA-N 0 0 334.372 2.285 40 0 EEABRN CCN(CC)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N ZINC000003455605 210044221 /nfs/dbraw/zinc/04/42/21/210044221.db2.gz CDMCJGDHVDAZNH-UHFFFAOYSA-N 0 0 339.852 2.273 40 0 EEABRN O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000043271372 213571472 /nfs/dbraw/zinc/57/14/72/213571472.db2.gz HXAYSOXJYXDTCF-OAHLLOKOSA-N 0 0 340.383 2.199 40 0 EEABRN CCOc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)cc1OCC ZINC000067647989 215173876 /nfs/dbraw/zinc/17/38/76/215173876.db2.gz COYKYJCWHMVUQN-UHFFFAOYSA-N 0 0 347.419 2.407 40 0 EEABRN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N(C)Cc1cnn(C)c1 ZINC000002781550 209911458 /nfs/dbraw/zinc/91/14/58/209911458.db2.gz CYUVIIUCSGKTSR-SNVBAGLBSA-N 0 0 329.326 2.163 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000179620246 233243467 /nfs/dbraw/zinc/24/34/67/233243467.db2.gz KQFUGBBTKJXQTJ-HNNXBMFYSA-N 0 0 347.440 2.457 40 0 EEABRN Cc1nn(C)c2cn([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc12 ZINC000041123827 213420026 /nfs/dbraw/zinc/42/00/26/213420026.db2.gz DOBYHJFEJGHUSV-LLVKDONJSA-N 0 0 341.371 2.049 40 0 EEABRN Cc1noc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000040489661 213318661 /nfs/dbraw/zinc/31/86/61/213318661.db2.gz ISYGLKXSSWTKAI-UHFFFAOYSA-N 0 0 343.383 2.244 40 0 EEABRN CC(C)CSCCCNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000225784123 535255426 /nfs/dbraw/zinc/25/54/26/535255426.db2.gz LHXRRIQBKZWFTC-ZDUSSCGKSA-N 0 0 327.494 2.266 40 0 EEABRN CN1C[C@@H](c2ccccc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)C1=O ZINC000105036614 283205101 /nfs/dbraw/zinc/20/51/01/283205101.db2.gz DSQBOZHYIVOVPQ-INIZCTEOSA-N 0 0 337.423 2.493 40 0 EEABRN O=C(NCc1ccncc1)NCC1CCN(CC(F)(F)F)CC1 ZINC000186927842 236067162 /nfs/dbraw/zinc/06/71/62/236067162.db2.gz BSNVGVXVECOYEU-UHFFFAOYSA-N 0 0 330.354 2.155 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCc2ccccc21 ZINC000035313719 213020622 /nfs/dbraw/zinc/02/06/22/213020622.db2.gz HZAYOUUPWCTMET-OAHLLOKOSA-N 0 0 338.363 2.200 40 0 EEABRN Cc1nn(C)cc1C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000096460944 237060515 /nfs/dbraw/zinc/06/05/15/237060515.db2.gz NFUMVIOATIQWII-UHFFFAOYSA-N 0 0 331.763 2.320 40 0 EEABRN O=C(NCC[C@H](O)c1ccccc1)c1ccc(Cn2cccn2)o1 ZINC000072259937 216084556 /nfs/dbraw/zinc/08/45/56/216084556.db2.gz PLNVQAZZZRRYIR-INIZCTEOSA-N 0 0 325.368 2.378 40 0 EEABRN Cn1nccc1C(=O)N1CCCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000072254497 216084574 /nfs/dbraw/zinc/08/45/74/216084574.db2.gz ASGYHAVIOXDFRL-UHFFFAOYSA-N 0 0 345.447 2.054 40 0 EEABRN CC(=O)Nc1cccc(OC[C@H](O)Cn2cnc3ccccc32)c1 ZINC000000386028 209564658 /nfs/dbraw/zinc/56/46/58/209564658.db2.gz SJLZDWWCQOKQSJ-OAHLLOKOSA-N 0 0 325.368 2.435 40 0 EEABRN Cc1cc(C)nc(Nc2cc(C)nc(C3CN(c4cnccn4)C3)n2)n1 ZINC000072382466 216182959 /nfs/dbraw/zinc/18/29/59/216182959.db2.gz JEJDKLRQNSLKRB-UHFFFAOYSA-N 0 0 348.414 2.329 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000028223182 212605149 /nfs/dbraw/zinc/60/51/49/212605149.db2.gz OSRVZZKUIAHWGV-LLVKDONJSA-N 0 0 337.228 2.356 40 0 EEABRN Cn1cc([C@H]2CCN(C(=O)NCCc3ccc(F)c(F)c3)C2)cn1 ZINC000190331331 238395755 /nfs/dbraw/zinc/39/57/55/238395755.db2.gz PHOJZQLGGALMFN-ZDUSSCGKSA-N 0 0 334.370 2.440 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)CCCc3ccccn3)CC2)S1 ZINC000073118513 216351353 /nfs/dbraw/zinc/35/13/53/216351353.db2.gz GLUODYGXIXLINX-AWEZNQCLSA-N 0 0 332.473 2.040 40 0 EEABRN Cc1c(C(=O)NCC2(CO)CCCC2)nnn1Cc1ccc(F)cc1 ZINC000192904890 239934329 /nfs/dbraw/zinc/93/43/29/239934329.db2.gz YGJWMMNOWUFZTK-UHFFFAOYSA-N 0 0 346.406 2.056 40 0 EEABRN CCS(=O)(=O)CCn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000193429990 240159635 /nfs/dbraw/zinc/15/96/35/240159635.db2.gz DMGMQUGYWOMORE-UHFFFAOYSA-N 0 0 349.243 2.005 40 0 EEABRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCS(=O)CC1 ZINC000096420783 296074179 /nfs/dbraw/zinc/07/41/79/296074179.db2.gz BPMCPUHDNHZHRV-NWDGAFQWSA-N 0 0 347.358 2.280 40 0 EEABRN C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCOCC(F)F)C1=O ZINC000195576596 241023006 /nfs/dbraw/zinc/02/30/06/241023006.db2.gz CYHAXGZVLYHWHH-AWEZNQCLSA-N 0 0 334.269 2.014 40 0 EEABRN CCOC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218006407 241289953 /nfs/dbraw/zinc/28/99/53/241289953.db2.gz IEPPZSRCQOOUGP-WCQYABFASA-N 0 0 333.862 2.195 40 0 EEABRN CCOC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218618676 241334568 /nfs/dbraw/zinc/33/45/68/241334568.db2.gz RYJHHJVKVKUJRY-FGTMMUONSA-N 0 0 349.427 2.499 40 0 EEABRN CCOc1ccc(CNS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000223856056 241700591 /nfs/dbraw/zinc/70/05/91/241700591.db2.gz PHVSOTLIOPOMDO-UHFFFAOYSA-N 0 0 349.408 2.350 40 0 EEABRN COc1cc(OC)cc(C(=O)Nc2cnc(N3CCCC3)nc2)c1 ZINC000224246560 241741659 /nfs/dbraw/zinc/74/16/59/241741659.db2.gz VBECOYYMQFLYFJ-UHFFFAOYSA-N 0 0 328.372 2.346 40 0 EEABRN Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCCO)n1 ZINC000225203574 241810041 /nfs/dbraw/zinc/81/00/41/241810041.db2.gz BZHUJACKVNZSIT-UHFFFAOYSA-N 0 0 335.408 2.337 40 0 EEABRN CCCn1c2ccc(S(=O)(=O)N3CCCC3)cc2sc1=O ZINC000225721538 242002658 /nfs/dbraw/zinc/00/26/58/242002658.db2.gz SXQOKCQQLQVJII-UHFFFAOYSA-N 0 0 326.443 2.258 40 0 EEABRN Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)c1 ZINC000225580634 241934922 /nfs/dbraw/zinc/93/49/22/241934922.db2.gz QYPZNWHOKUYNDY-GDBMZVCRSA-N 0 0 338.473 2.247 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1 ZINC000225812750 242048182 /nfs/dbraw/zinc/04/81/82/242048182.db2.gz GBXDARFGONRKDZ-UHFFFAOYSA-N 0 0 342.486 2.042 40 0 EEABRN Cc1cccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000225850386 242062923 /nfs/dbraw/zinc/06/29/23/242062923.db2.gz ISOQOUFTCWHRJG-QGZVFWFLSA-N 0 0 346.452 2.244 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCC(C)C)c1 ZINC000225930856 242076803 /nfs/dbraw/zinc/07/68/03/242076803.db2.gz UGUDHYOMCVXQBQ-UHFFFAOYSA-N 0 0 326.462 2.086 40 0 EEABRN CCCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000225930826 242077312 /nfs/dbraw/zinc/07/73/12/242077312.db2.gz VVGKVEIBUMRRRN-UHFFFAOYSA-N 0 0 326.462 2.230 40 0 EEABRN O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000226860432 242117886 /nfs/dbraw/zinc/11/78/86/242117886.db2.gz OYNPXAXKADOHBY-UHFFFAOYSA-N 0 0 336.756 2.024 40 0 EEABRN CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]2CCCc3cccnc32)n1 ZINC000241738539 243001851 /nfs/dbraw/zinc/00/18/51/243001851.db2.gz QYJGDTFPADCDQE-AAEUAGOBSA-N 0 0 330.388 2.251 40 0 EEABRN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[C@@H](O)COc1ccccc1)C2=O ZINC000245237723 243100514 /nfs/dbraw/zinc/10/05/14/243100514.db2.gz SUJKIRIBNZEYFA-GJRWTSMGSA-N 0 0 346.427 2.173 40 0 EEABRN COCCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000020633669 212157583 /nfs/dbraw/zinc/15/75/83/212157583.db2.gz FEZHWCBOGZJONP-UHFFFAOYSA-N 0 0 344.346 2.350 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000249368948 243683395 /nfs/dbraw/zinc/68/33/95/243683395.db2.gz OTCLZZRNHZMKSO-BMFZPTHFSA-N 0 0 335.452 2.119 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(Cc2cccnc2)C3)nc1 ZINC000253600015 244032524 /nfs/dbraw/zinc/03/25/24/244032524.db2.gz AHYDWUTWRYEBPC-KRWDZBQOSA-N 0 0 339.443 2.273 40 0 EEABRN CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2sc(C)nc2C)[C@H]1O ZINC000257210100 244146997 /nfs/dbraw/zinc/14/69/97/244146997.db2.gz BTDRIYOUMUJHKG-XJKCOSOUSA-N 0 0 326.462 2.079 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cc(C)ccc2Cl)[C@H]1O ZINC000257218894 244177313 /nfs/dbraw/zinc/17/73/13/244177313.db2.gz DETWKCGBYFHIAF-XJKCOSOUSA-N 0 0 327.808 2.024 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cccs1 ZINC000257221009 244185494 /nfs/dbraw/zinc/18/54/94/244185494.db2.gz DNDZBBCQYGCRNJ-CQSZACIVSA-N 0 0 344.440 2.460 40 0 EEABRN O=C(N1CCO[C@@H](c2cnccn2)C1)C1(c2ccccc2F)CC1 ZINC000257234576 244222482 /nfs/dbraw/zinc/22/24/82/244222482.db2.gz GUEXUWHLWRTITD-MRXNPFEDSA-N 0 0 327.359 2.247 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCOC[C@@H]1CCc1nccnc1C ZINC000257260911 244348509 /nfs/dbraw/zinc/34/85/09/244348509.db2.gz LFABQUINXZFCHT-AWEZNQCLSA-N 0 0 344.415 2.118 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cccn1C ZINC000257271584 244381199 /nfs/dbraw/zinc/38/11/99/244381199.db2.gz MYXLJJSLYAGRGP-QGZVFWFLSA-N 0 0 341.411 2.079 40 0 EEABRN CS(=O)(=O)c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257274029 244386333 /nfs/dbraw/zinc/38/63/33/244386333.db2.gz NJFZMOFBEAUPGW-OAHLLOKOSA-N 0 0 331.441 2.260 40 0 EEABRN O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937295 212087457 /nfs/dbraw/zinc/08/74/57/212087457.db2.gz YRAKLBWVDMJJBA-UHFFFAOYSA-N 0 0 349.346 2.096 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2sccc2C)n1 ZINC000257278048 244397691 /nfs/dbraw/zinc/39/76/91/244397691.db2.gz OAOCYMATTCEBJJ-GFCCVEGCSA-N 0 0 332.429 2.410 40 0 EEABRN Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cc(C)cc(C)c2)cc1 ZINC000019947438 212089164 /nfs/dbraw/zinc/08/91/64/212089164.db2.gz PLUTVAZMMAFBMW-UHFFFAOYSA-N 0 0 332.425 2.292 40 0 EEABRN O=C(Cc1ccccn1)N1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257294835 244445891 /nfs/dbraw/zinc/44/58/91/244445891.db2.gz QVXWVKLVJCVNIA-GOSISDBHSA-N 0 0 349.394 2.009 40 0 EEABRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000096462386 296142190 /nfs/dbraw/zinc/14/21/90/296142190.db2.gz IRPZCHIDVYVFPJ-IAQYHMDHSA-N 0 0 342.436 2.111 40 0 EEABRN CC[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cc(F)ccc1F ZINC000077582979 216940848 /nfs/dbraw/zinc/94/08/48/216940848.db2.gz VBWULGKEASXUQA-RISCZKNCSA-N 0 0 325.359 2.336 40 0 EEABRN C[C@H](NC(=O)c1ccccc1CN1CCOCC1)c1ccccn1 ZINC000019658279 212054553 /nfs/dbraw/zinc/05/45/53/212054553.db2.gz TVIIKKOJMUYFOO-HNNXBMFYSA-N 0 0 325.412 2.405 40 0 EEABRN Cc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)Cc1cccc(F)c1 ZINC000019577661 212045535 /nfs/dbraw/zinc/04/55/35/212045535.db2.gz KFYOXUFBVCMRKJ-NSHDSACASA-N 0 0 325.409 2.357 40 0 EEABRN NC(=O)c1cccc(C(=O)OCC2CCN(CC(F)(F)F)CC2)c1 ZINC000077956487 217006833 /nfs/dbraw/zinc/00/68/33/217006833.db2.gz JLHHEOKXZPTWOR-UHFFFAOYSA-N 0 0 344.333 2.217 40 0 EEABRN CC(C)Cn1nccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000078073288 217019045 /nfs/dbraw/zinc/01/90/45/217019045.db2.gz YODYUTGPCCUUIX-QGZVFWFLSA-N 0 0 342.443 2.379 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)c(F)c1)C2 ZINC000019292973 212013516 /nfs/dbraw/zinc/01/35/16/212013516.db2.gz UUPPDZBQYHDIAY-UHFFFAOYSA-N 0 0 346.381 2.207 40 0 EEABRN CC(C)(C)C(=O)NCCNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000078516350 217067604 /nfs/dbraw/zinc/06/76/04/217067604.db2.gz HCIIPIFWMJNHEW-UHFFFAOYSA-N 0 0 334.388 2.257 40 0 EEABRN CC1(C(=O)OC[C@H]2CN(Cc3ccccc3)CCO2)CCOCC1 ZINC000078554375 217075055 /nfs/dbraw/zinc/07/50/55/217075055.db2.gz UXHGOCWCZQQYFO-QGZVFWFLSA-N 0 0 333.428 2.247 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000078986068 217165123 /nfs/dbraw/zinc/16/51/23/217165123.db2.gz KXDSOFAFMUGVEP-PWSUYJOCSA-N 0 0 333.344 2.270 40 0 EEABRN COC(=O)NCCC(=O)N1CCc2ccc(Br)cc21 ZINC000078997960 217170311 /nfs/dbraw/zinc/17/03/11/217170311.db2.gz XALCFTWCBPHXBY-UHFFFAOYSA-N 0 0 327.178 2.084 40 0 EEABRN Cc1nn(C)c(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1C ZINC000079049452 217181871 /nfs/dbraw/zinc/18/18/71/217181871.db2.gz YQPNQYIDAJCHFR-LLVKDONJSA-N 0 0 334.807 2.447 40 0 EEABRN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1 ZINC000079002191 217172101 /nfs/dbraw/zinc/17/21/01/217172101.db2.gz SGDRXYHJMKYOOD-AWEZNQCLSA-N 0 0 344.390 2.313 40 0 EEABRN Cc1cccnc1[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000079358073 217215157 /nfs/dbraw/zinc/21/51/57/217215157.db2.gz PJYKMZKSMYIKIE-MRXNPFEDSA-N 0 0 336.399 2.493 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358912 211818443 /nfs/dbraw/zinc/81/84/43/211818443.db2.gz YJYWFEXDJMUDTG-GFCCVEGCSA-N 0 0 339.438 2.130 40 0 EEABRN C[C@@H](CNC(=O)c1cnccn1)Oc1cccc(Br)c1 ZINC000081303610 217380750 /nfs/dbraw/zinc/38/07/50/217380750.db2.gz AJQOZMQCHSYLDT-JTQLQIEISA-N 0 0 336.189 2.436 40 0 EEABRN COc1ccccc1NC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472577 217672491 /nfs/dbraw/zinc/67/24/91/217672491.db2.gz SFWWTDOWDGGQTQ-AWEZNQCLSA-N 0 0 346.408 2.123 40 0 EEABRN O=S(=O)(CCO)Cc1ncc(-c2ccccc2Br)o1 ZINC000086997095 217705919 /nfs/dbraw/zinc/70/59/19/217705919.db2.gz BPHHNPYYPDBNJR-UHFFFAOYSA-N 0 0 346.202 2.011 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000088267704 217743455 /nfs/dbraw/zinc/74/34/55/217743455.db2.gz HXDKMNULQSDTSZ-UHFFFAOYSA-N 0 0 336.395 2.499 40 0 EEABRN O=C(c1ccncc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000084572890 296271923 /nfs/dbraw/zinc/27/19/23/296271923.db2.gz KGYJSBGKFVXWDI-OAHLLOKOSA-N 0 0 348.399 2.050 40 0 EEABRN O=C(c1ccoc1)N1CCc2ncc(CNc3ccccn3)n2CC1 ZINC000096197116 296276455 /nfs/dbraw/zinc/27/64/55/296276455.db2.gz CFNBPPPAMYVZEK-UHFFFAOYSA-N 0 0 337.383 2.182 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000012365061 211356706 /nfs/dbraw/zinc/35/67/06/211356706.db2.gz ARCMNTCZYIBSKX-CYBMUJFWSA-N 0 0 339.374 2.441 40 0 EEABRN Cc1cc2c(cc1C)C(=O)NC[C@H](C(=O)NCc1cccc(F)c1)O2 ZINC000012235607 211326973 /nfs/dbraw/zinc/32/69/73/211326973.db2.gz MELLBQGJXUJXGL-QGZVFWFLSA-N 0 0 342.370 2.250 40 0 EEABRN COCCc1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1 ZINC000012188743 211315151 /nfs/dbraw/zinc/31/51/51/211315151.db2.gz OQFHORNKUWIDPH-UHFFFAOYSA-N 0 0 341.455 2.458 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)o1 ZINC000012183359 211312583 /nfs/dbraw/zinc/31/25/83/211312583.db2.gz OWLLJHVPFLMXDH-CQSZACIVSA-N 0 0 327.388 2.491 40 0 EEABRN CC(=O)OCc1ccc(CN2CCC(O)(c3cccnc3F)CC2)o1 ZINC000012219605 211322531 /nfs/dbraw/zinc/32/25/31/211322531.db2.gz BMXDFBPUKMVUIA-UHFFFAOYSA-N 0 0 348.374 2.360 40 0 EEABRN Cc1nccn1CC1(O)CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000012143474 211305357 /nfs/dbraw/zinc/30/53/57/211305357.db2.gz RDRUFLMSODQKCO-HNNXBMFYSA-N 0 0 327.428 2.349 40 0 EEABRN COc1ccc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c2ccccc12 ZINC000012143185 211304264 /nfs/dbraw/zinc/30/42/64/211304264.db2.gz JEOVNIACZFGRRI-UHFFFAOYSA-N 0 0 349.390 2.439 40 0 EEABRN Nc1nccnc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000091155017 217972088 /nfs/dbraw/zinc/97/20/88/217972088.db2.gz QIWGSPTWQZCQKY-AAEUAGOBSA-N 0 0 336.754 2.111 40 0 EEABRN CCc1nn(CC(=O)N(CC)CC)c(=O)c2cc3ccsc3n21 ZINC000012114258 211292903 /nfs/dbraw/zinc/29/29/03/211292903.db2.gz SKMOKFUDEUTYBQ-UHFFFAOYSA-N 0 0 332.429 2.142 40 0 EEABRN Cc1ccn(CCNC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)n1 ZINC000012147295 211305608 /nfs/dbraw/zinc/30/56/08/211305608.db2.gz XKJFHCNVBKNZFW-UHFFFAOYSA-N 0 0 325.416 2.434 40 0 EEABRN CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C(C)C)cc3)N2N1 ZINC000010152898 211149639 /nfs/dbraw/zinc/14/96/39/211149639.db2.gz SUNSQDPOQQAFTM-CQSZACIVSA-N 0 0 341.415 2.065 40 0 EEABRN O=C(c1nc2c(s1)CCN(c1ncccn1)CC2)N1CCCCC1 ZINC000096147009 284768852 /nfs/dbraw/zinc/76/88/52/284768852.db2.gz WNBFFLIYNGGINF-UHFFFAOYSA-N 0 0 343.456 2.164 40 0 EEABRN COc1ncnc2c1nc(N)n2Cc1cc(Br)cs1 ZINC000094741122 218269604 /nfs/dbraw/zinc/26/96/04/218269604.db2.gz QOWHFOGGVJSIDM-UHFFFAOYSA-N 0 0 340.206 2.289 40 0 EEABRN O=C(NCc1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3 ZINC000008772979 211004262 /nfs/dbraw/zinc/00/42/62/211004262.db2.gz QXUHVQMUXGZHMU-UHFFFAOYSA-N 0 0 336.347 2.229 40 0 EEABRN Fc1ccc(N2CCN(Cc3nnnn3C3CC3)CC2)c(Cl)c1 ZINC000095441425 218386505 /nfs/dbraw/zinc/38/65/05/218386505.db2.gz ANSGKCJHJIJRGD-UHFFFAOYSA-N 0 0 336.802 2.123 40 0 EEABRN Cc1nc(C[S@@](=O)CCS(=O)(=O)c2ccccc2)sc1C ZINC000095453966 218397214 /nfs/dbraw/zinc/39/72/14/218397214.db2.gz UJACBKBQWUHYGE-HXUWFJFHSA-N 0 0 343.495 2.483 40 0 EEABRN c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)c1 ZINC000096041723 218525545 /nfs/dbraw/zinc/52/55/45/218525545.db2.gz JQBBIYVYEXRENJ-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058018 218549060 /nfs/dbraw/zinc/54/90/60/218549060.db2.gz NRDUGSWQYLCCQD-GVDBMIGSSA-N 0 0 328.368 2.263 40 0 EEABRN CCOc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)cc1F ZINC000096097692 218590660 /nfs/dbraw/zinc/59/06/60/218590660.db2.gz DJRZFQCNVNBKLW-AWEZNQCLSA-N 0 0 349.449 2.025 40 0 EEABRN Cn1cccc1C(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187169 218654040 /nfs/dbraw/zinc/65/40/40/218654040.db2.gz XVSKPGYIQAXKDQ-NJAFHUGGSA-N 0 0 341.411 2.009 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@@H](OC)[C@@H]2Cc2cccnc2)c1 ZINC000096200147 218672058 /nfs/dbraw/zinc/67/20/58/218672058.db2.gz CMCNJDHQKHQFGL-RBUKOAKNSA-N 0 0 340.423 2.491 40 0 EEABRN CCN1C(=O)CCC12CCC(NC(=O)NCc1cccnc1)CC2 ZINC000096228538 218705119 /nfs/dbraw/zinc/70/51/19/218705119.db2.gz QXJAKXUPNCAJGO-UHFFFAOYSA-N 0 0 330.432 2.205 40 0 EEABRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@@H]1CCN(C)C1=O ZINC000096416006 218776773 /nfs/dbraw/zinc/77/67/73/218776773.db2.gz NXUAURPSBLZVHC-CQSZACIVSA-N 0 0 341.415 2.483 40 0 EEABRN O=C1CSc2c(O)n(-c3ccccc3)c(O)c2N1c1ccccc1 ZINC000018029843 284990953 /nfs/dbraw/zinc/99/09/53/284990953.db2.gz YBZLNTFHYHCKBN-HOTGVXAUSA-N 0 0 338.388 2.077 40 0 EEABRN C[C@H](c1cccnc1)N1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424295 218792554 /nfs/dbraw/zinc/79/25/54/218792554.db2.gz WTMRDEQMGGAUET-RDTXWAMCSA-N 0 0 342.418 2.126 40 0 EEABRN C[C@@H](OCC1CC1)C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000096425321 218794680 /nfs/dbraw/zinc/79/46/80/218794680.db2.gz IZUNPJZVKRXFTO-SNVBAGLBSA-N 0 0 345.378 2.432 40 0 EEABRN CSC(C)(C)CNC(=O)N[C@H](c1nnc2n1CCC2)C(C)C ZINC000096440029 218821154 /nfs/dbraw/zinc/82/11/54/218821154.db2.gz JWJMVPKLOCGZDR-LBPRGKRZSA-N 0 0 325.482 2.362 40 0 EEABRN C[C@@H](NC(=O)CCN1CCCC1=O)c1cccc(-n2cccn2)c1 ZINC000096443811 218825151 /nfs/dbraw/zinc/82/51/51/218825151.db2.gz AWFSLJLUMAYHLQ-CQSZACIVSA-N 0 0 326.400 2.062 40 0 EEABRN CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)Cc1ccccc1 ZINC000096454116 218837342 /nfs/dbraw/zinc/83/73/42/218837342.db2.gz GDYAHBRXQCHNBS-UHFFFAOYSA-N 0 0 344.396 2.093 40 0 EEABRN CC(C)(CNC(=O)NCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000096461950 218844734 /nfs/dbraw/zinc/84/47/34/218844734.db2.gz DFXHDFSUDHAWQH-UHFFFAOYSA-N 0 0 346.880 2.253 40 0 EEABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000096496860 218874302 /nfs/dbraw/zinc/87/43/02/218874302.db2.gz YBGSRLRKNPVZMN-GFCCVEGCSA-N 0 0 340.836 2.032 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000096502580 218878720 /nfs/dbraw/zinc/87/87/20/218878720.db2.gz RGDSZXOSJWXUOS-IJEWVQPXSA-N 0 0 328.416 2.019 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@H](C(C)C)O2 ZINC000004970830 210343505 /nfs/dbraw/zinc/34/35/05/210343505.db2.gz HBSAZEFOCSPEFF-KDOFPFPSSA-N 0 0 346.427 2.040 40 0 EEABRN C[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@H]1CCCO1 ZINC000004967020 210341769 /nfs/dbraw/zinc/34/17/69/210341769.db2.gz XEKICIXWAPZEGD-GHMZBOCLSA-N 0 0 336.413 2.080 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1 ZINC000004909438 210319959 /nfs/dbraw/zinc/31/99/59/210319959.db2.gz XJAVATKRSBLHRJ-HOCLYGCPSA-N 0 0 337.508 2.308 40 0 EEABRN Cc1cnc([C@H](C)NC(=O)N2CCN(c3ccnc(C)n3)CC2)s1 ZINC000097376480 219019434 /nfs/dbraw/zinc/01/94/34/219019434.db2.gz HPFQWXDGZJKUMB-LBPRGKRZSA-N 0 0 346.460 2.143 40 0 EEABRN Cc1cnn([C@H]2CCCN(C(=O)Nc3c(C)ccn(C)c3=O)C2)c1 ZINC000155252623 224385565 /nfs/dbraw/zinc/38/55/65/224385565.db2.gz QNDNGBZWVPBLJJ-AWEZNQCLSA-N 0 0 329.404 2.068 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2cccs2)[C@H](C)CO1 ZINC000245304947 258000332 /nfs/dbraw/zinc/00/03/32/258000332.db2.gz HGUBBYDQDKYGGB-UPJWGTAASA-N 0 0 330.475 2.239 40 0 EEABRN N=C1NC(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)S1 ZINC000035147602 132389056 /nfs/dbraw/zinc/38/90/56/132389056.db2.gz AOAKFAAWFRHREI-GXDHUFHOSA-N 0 0 340.408 2.210 40 0 EEABRN Cc1ccc(C)c(N2CCN(Cc3nnnn3C(C)(C)C)CC2)c1 ZINC000035290644 132389590 /nfs/dbraw/zinc/38/95/90/132389590.db2.gz WSIIMMZGAKBAJR-UHFFFAOYSA-N 0 0 328.464 2.367 40 0 EEABRN Cc1ccc2c(C(=O)CN3CCN(c4cnccn4)CC3)c[nH]c2c1 ZINC000036743710 132393399 /nfs/dbraw/zinc/39/33/99/132393399.db2.gz GQPOEAZOHNBOEO-UHFFFAOYSA-N 0 0 335.411 2.271 40 0 EEABRN Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N4CCOCC4)[C@@H]31)O2 ZINC000013227525 292306079 /nfs/dbraw/zinc/30/60/79/292306079.db2.gz HROBZDOZRBDRMI-JZURDYQRSA-N 0 0 341.407 2.214 40 0 EEABRN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC(CO)C1 ZINC000252494752 304392104 /nfs/dbraw/zinc/39/21/04/304392104.db2.gz ODOUKRZZFBKRLB-GOEBONIOSA-N 0 0 336.229 2.104 40 0 EEABRN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SC)n2C ZINC000004944537 286582847 /nfs/dbraw/zinc/58/28/47/286582847.db2.gz LCYGTYIQSVRSIJ-LLVKDONJSA-N 0 0 345.424 2.375 40 0 EEABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000157867465 224904025 /nfs/dbraw/zinc/90/40/25/224904025.db2.gz UTBMJOCUKRQYCJ-MRVPVSSYSA-N 0 0 343.396 2.148 40 0 EEABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000172099353 227468120 /nfs/dbraw/zinc/46/81/20/227468120.db2.gz BVNTXMUNGXWYTF-ZZVYKPCYSA-N 0 0 344.440 2.096 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](/C=C/c1ccccc1)CC3=O ZINC000019973961 274966558 /nfs/dbraw/zinc/96/65/58/274966558.db2.gz RPRYCYUGLULVDZ-NNNHXZLVSA-N 0 0 332.363 2.359 40 0 EEABRN Cn1ccc(N2CCC[C@@H](N3CCC=C(c4cccnc4)C3)C2=O)n1 ZINC000289439942 275116007 /nfs/dbraw/zinc/11/60/07/275116007.db2.gz WLOIGDMZEDFVFO-QGZVFWFLSA-N 0 0 337.427 2.100 40 0 EEABRN CC(=O)Nc1ccc(OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000051386894 277079814 /nfs/dbraw/zinc/07/98/14/277079814.db2.gz IKMRZDVPMLCXJJ-XJKSGUPXSA-N 0 0 334.397 2.004 40 0 EEABRN COC[C@H]1CN(C(=O)c2cscn2)Cc2ncn(CC3CC3)c21 ZINC000096045073 277606746 /nfs/dbraw/zinc/60/67/46/277606746.db2.gz WLKIAKJIRPKMRY-GFCCVEGCSA-N 0 0 332.429 2.136 40 0 EEABRN CC1=C(C(=O)Nc2ccccc2)C2(CCCC2)[C@@H](C(N)=O)C(=S)N1 ZINC000095117541 278487839 /nfs/dbraw/zinc/48/78/39/278487839.db2.gz IEVQCILNQIYIEH-AWEZNQCLSA-N 0 0 343.452 2.492 40 0 EEABRN CCCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 ZINC000257283389 278994322 /nfs/dbraw/zinc/99/43/22/278994322.db2.gz OYCHWVLVLGYULM-MRXNPFEDSA-N 0 0 349.460 2.155 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccco1)CC2 ZINC000096254545 279089458 /nfs/dbraw/zinc/08/94/58/279089458.db2.gz KUPCEHPXTHUAMP-UHFFFAOYSA-N 0 0 326.400 2.219 40 0 EEABRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1C1CCOCC1 ZINC000096111100 279144175 /nfs/dbraw/zinc/14/41/75/279144175.db2.gz UYHULRHAMLEDOG-CQSZACIVSA-N 0 0 328.416 2.413 40 0 EEABRN Cc1ccc(OC[C@@H]2CO[C@@H]3CN(c4ncc(Cl)cn4)C[C@H]23)cn1 ZINC000096216158 280923307 /nfs/dbraw/zinc/92/33/07/280923307.db2.gz VBQFUFQTXLKCRY-DAXOMENPSA-N 0 0 346.818 2.364 40 0 EEABRN CN(C)CN1c2ccccc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635165 289186311 /nfs/dbraw/zinc/18/63/11/289186311.db2.gz KHOXUOMAGAZUNA-OAQYLSRUSA-N 0 0 346.434 2.423 40 0 EEABRN COc1ccc([C@H]2[C@@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072242117 295251919 /nfs/dbraw/zinc/25/19/19/295251919.db2.gz OCUZXJSNAONLLV-RDJZCZTQSA-N 0 0 348.468 2.180 40 0 EEABRN Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257201942 301269418 /nfs/dbraw/zinc/26/94/18/301269418.db2.gz AJSCRBAVGAVJHD-QGZVFWFLSA-N 0 0 348.443 2.086 40 0 EEABRN Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)s1 ZINC000096181533 302361847 /nfs/dbraw/zinc/36/18/47/302361847.db2.gz WWEFUAJFJFTWPA-HUUCEWRRSA-N 0 0 345.424 2.297 40 0 EEABRN O=S(=O)(c1ccccn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000329064457 311645491 /nfs/dbraw/zinc/64/54/91/311645491.db2.gz KNSSVJKUGMLEEX-BRWVUGGUSA-N 0 0 344.436 2.275 40 0 EEABRN Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)nn1 ZINC000332541985 312022624 /nfs/dbraw/zinc/02/26/24/312022624.db2.gz LIBAOLPIBGNYBP-UHFFFAOYSA-N 0 0 330.432 2.040 40 0 EEABRN Cn1cc(N2CC[C@@H](Sc3nncc4ccccc43)C2=O)cn1 ZINC000097377702 323322305 /nfs/dbraw/zinc/32/23/05/323322305.db2.gz OFDOHUFLPUXRSW-CQSZACIVSA-N 0 0 325.397 2.261 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)CCc3ccccc3)C2=O)o1 ZINC000184712299 323426710 /nfs/dbraw/zinc/42/67/10/323426710.db2.gz WGDANFOUPUFZAB-BEFAXECRSA-N 0 0 342.395 2.349 40 0 EEABRN COCCNC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1 ZINC000016409651 462978581 /nfs/dbraw/zinc/97/85/81/462978581.db2.gz XOCZAMKCLGSRHC-YRNVUSSQSA-N 0 0 339.189 2.127 40 0 EEABRN Cc1cc(NC(=O)N2C[C@@H](O)C[C@H]2CO)cc(C)c1Br ZINC000192417748 464921540 /nfs/dbraw/zinc/92/15/40/464921540.db2.gz MSWQGQFVQJZDFE-RYUDHWBXSA-N 0 0 343.221 2.025 40 0 EEABRN CCOC(=O)c1sc(NC(=O)[C@H]2COc3ccccc3O2)nc1C ZINC000000151881 462544565 /nfs/dbraw/zinc/54/45/65/462544565.db2.gz HSAZTZYOODOGJK-GFCCVEGCSA-N 0 0 348.380 2.407 40 0 EEABRN CCCC1=C[C@](O)(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000000199872 462547471 /nfs/dbraw/zinc/54/74/71/462547471.db2.gz HRPNWUAUWREQCN-LBPRGKRZSA-N 0 0 336.335 2.488 40 0 EEABRN CC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000000215915 462548890 /nfs/dbraw/zinc/54/88/90/462548890.db2.gz XHANNCDZPUUCLJ-UHFFFAOYSA-N 0 0 332.337 2.125 40 0 EEABRN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000074064270 462550569 /nfs/dbraw/zinc/55/05/69/462550569.db2.gz GNSNUUVUBJCMOX-UHFFFAOYSA-N 0 0 349.740 2.266 40 0 EEABRN Cn1nnc(NC(=O)c2cccc3c(Br)cccc23)n1 ZINC000000525819 462568943 /nfs/dbraw/zinc/56/89/43/462568943.db2.gz CUXROERLRATFFR-UHFFFAOYSA-N 0 0 332.161 2.378 40 0 EEABRN CC(C)N(C(=O)CSc1nnnn1Cc1ccccc1)C(C)C ZINC000001238136 462577398 /nfs/dbraw/zinc/57/73/98/462577398.db2.gz HEIFFSQXYNFJGZ-UHFFFAOYSA-N 0 0 333.461 2.459 40 0 EEABRN O=C(Cc1ccccc1)N1C(=O)CC[C@@H]1C(=O)OCc1ccccc1 ZINC000001710537 462585922 /nfs/dbraw/zinc/58/59/22/462585922.db2.gz OUOAOWBTQPVFOF-QGZVFWFLSA-N 0 0 337.375 2.490 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccco3)nn2)cc1 ZINC000087423638 462607218 /nfs/dbraw/zinc/60/72/18/462607218.db2.gz IFWLBHDMHXMYGM-JKSUJKDBSA-N 0 0 338.367 2.289 40 0 EEABRN O=C(NCCNC(=O)c1ccc(F)cc1F)c1cc2ccccn2c1 ZINC000074540903 462612560 /nfs/dbraw/zinc/61/25/60/462612560.db2.gz ALEIAHIHRRXMSX-UHFFFAOYSA-N 0 0 343.333 2.377 40 0 EEABRN COc1ccc(N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000113966600 462618733 /nfs/dbraw/zinc/61/87/33/462618733.db2.gz XMBFVRVCDHWCKT-UHFFFAOYSA-N 0 0 342.461 2.156 40 0 EEABRN COc1ccccc1[C@H](NC(=O)NCc1ncnn1C)C(C)(C)C ZINC000088602068 462638638 /nfs/dbraw/zinc/63/86/38/462638638.db2.gz DZKVTGVFXNIKKM-HNNXBMFYSA-N 0 0 331.420 2.410 40 0 EEABRN Cn1nc(C(=O)Nc2nccs2)cc1NC(=O)c1cccs1 ZINC000046088978 462645731 /nfs/dbraw/zinc/64/57/31/462645731.db2.gz LSLRWXVLAXZFDD-UHFFFAOYSA-N 0 0 333.398 2.443 40 0 EEABRN CCn1nc(C)c(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)c1C ZINC000046088999 462645918 /nfs/dbraw/zinc/64/59/18/462645918.db2.gz KWWSOCNNHSJGCC-UHFFFAOYSA-N 0 0 332.408 2.100 40 0 EEABRN C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000005278841 462653824 /nfs/dbraw/zinc/65/38/24/462653824.db2.gz DWPQTVCOPMWOHI-LZWOXQAQSA-N 0 0 348.443 2.331 40 0 EEABRN CC(C)NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000006327574 462682893 /nfs/dbraw/zinc/68/28/93/462682893.db2.gz UMQWMVGLKFAPCG-ZHACJKMWSA-N 0 0 348.424 2.296 40 0 EEABRN CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000065403185 462764822 /nfs/dbraw/zinc/76/48/22/462764822.db2.gz JPJILZSLXICHHA-GFCCVEGCSA-N 0 0 334.416 2.362 40 0 EEABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1 ZINC000008166574 462770775 /nfs/dbraw/zinc/77/07/75/462770775.db2.gz BBMRZIOWFUBNNS-GXDHUFHOSA-N 0 0 346.408 2.354 40 0 EEABRN O=C(NC[C@H]1CN2CCN1CC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090608748 462802945 /nfs/dbraw/zinc/80/29/45/462802945.db2.gz JGUJELHHYRFHPG-KRWDZBQOSA-N 0 0 347.890 2.268 40 0 EEABRN COC[C@@H](C)N1CCN(C(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000076615780 462885936 /nfs/dbraw/zinc/88/59/36/462885936.db2.gz TTZISOGNXMOLJN-QGZVFWFLSA-N 0 0 345.487 2.388 40 0 EEABRN COCc1c(Cl)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132921213 462887343 /nfs/dbraw/zinc/88/73/43/462887343.db2.gz QCUARWHMBDZIHQ-SNVBAGLBSA-N 0 0 335.795 2.214 40 0 EEABRN CN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(C)(=O)=O ZINC000013612755 462897551 /nfs/dbraw/zinc/89/75/51/462897551.db2.gz NBEYLOQKWIODQD-UHFFFAOYSA-N 0 0 330.409 2.285 40 0 EEABRN Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 ZINC000013670937 462898669 /nfs/dbraw/zinc/89/86/69/462898669.db2.gz LGSGBDNCTNADGC-UHFFFAOYSA-N 0 0 344.436 2.350 40 0 EEABRN Cc1ccc(F)cc1S(=O)(=O)Oc1cccc(-n2cncn2)c1 ZINC000076832988 462915397 /nfs/dbraw/zinc/91/53/97/462915397.db2.gz GEQYUVCKCHFPNE-UHFFFAOYSA-N 0 0 333.344 2.483 40 0 EEABRN CCCc1cnc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)s1 ZINC000133430283 462931260 /nfs/dbraw/zinc/93/12/60/462931260.db2.gz KGEBZFDYMYQEIE-CYBMUJFWSA-N 0 0 338.477 2.282 40 0 EEABRN COc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015043135 462939956 /nfs/dbraw/zinc/93/99/56/462939956.db2.gz QVRBRIBWIQHAOV-UHFFFAOYSA-N 0 0 346.452 2.202 40 0 EEABRN CCc1c(C)nc(SCC(=O)N2CCc3ccccc32)[nH]c1=O ZINC000018202821 463009211 /nfs/dbraw/zinc/00/92/11/463009211.db2.gz FWKAEGXSBJKQFT-UHFFFAOYSA-N 0 0 329.425 2.322 40 0 EEABRN O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccc(N2CCCC2)nc1 ZINC000077633929 463014583 /nfs/dbraw/zinc/01/45/83/463014583.db2.gz LFCWTWCBEVCRPE-OAHLLOKOSA-N 0 0 347.365 2.423 40 0 EEABRN Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CCCCC2)n1 ZINC000019960268 463024238 /nfs/dbraw/zinc/02/42/38/463024238.db2.gz PZQORFXRNCHWIX-UHFFFAOYSA-N 0 0 340.431 2.069 40 0 EEABRN CCc1ccccc1-n1ccc2nc(N3CCOCC3)ncc2c1=O ZINC000019974163 463024640 /nfs/dbraw/zinc/02/46/40/463024640.db2.gz XSAZRZLRRUTIGB-UHFFFAOYSA-N 0 0 336.395 2.180 40 0 EEABRN CCOc1ccc([C@@H](N)c2nc(-c3cnccn3)n[nH]2)cc1OCC ZINC000095534539 463109334 /nfs/dbraw/zinc/10/93/34/463109334.db2.gz NJWMFSAEKKPNJL-OAHLLOKOSA-N 0 0 340.387 2.107 40 0 EEABRN COc1ccnc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)n1 ZINC000078393955 463112659 /nfs/dbraw/zinc/11/26/59/463112659.db2.gz SGJRHQCZMREULO-UHFFFAOYSA-N 0 0 339.321 2.226 40 0 EEABRN O=C(Nc1nc2c(s1)CN(C(=O)c1ccno1)CC2)C1CCC1 ZINC000096024324 463141143 /nfs/dbraw/zinc/14/11/43/463141143.db2.gz YWDXQSURLYSTLI-UHFFFAOYSA-N 0 0 332.385 2.068 40 0 EEABRN Cc1cc(CN2C[C@@H](Nc3ccc(C)nn3)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040706 463145403 /nfs/dbraw/zinc/14/54/03/463145403.db2.gz HINRMVBFSQLDIC-LESCRADOSA-N 0 0 343.431 2.173 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041728 463146305 /nfs/dbraw/zinc/14/63/05/463146305.db2.gz UGLSOLBZNJPNIU-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)no1 ZINC000096041657 463146339 /nfs/dbraw/zinc/14/63/39/463146339.db2.gz JKNBEWLDSJUOMM-RCCFBDPRSA-N 0 0 336.432 2.158 40 0 EEABRN Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)Cc4cccs4)C[C@H]3O2)no1 ZINC000096046409 463149946 /nfs/dbraw/zinc/14/99/46/463149946.db2.gz JVWJBHJEPGJBLM-FPMFFAJLSA-N 0 0 333.413 2.361 40 0 EEABRN O=C(c1cccs1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050809 463155249 /nfs/dbraw/zinc/15/52/49/463155249.db2.gz DJDHAPWTCHGUQU-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN O=C(C1CC=CC1)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096065986 463164768 /nfs/dbraw/zinc/16/47/68/463164768.db2.gz XVMHDPRXIHZSQU-OAGGEKHMSA-N 0 0 332.375 2.324 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000135495822 463165570 /nfs/dbraw/zinc/16/55/70/463165570.db2.gz TUZJEMULLWGUGI-RDJZCZTQSA-N 0 0 332.444 2.191 40 0 EEABRN Cn1ccc(CN2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096073652 463167746 /nfs/dbraw/zinc/16/77/46/463167746.db2.gz KKDWMJHDLYQIHP-ROUUACIJSA-N 0 0 328.416 2.018 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090576 463170505 /nfs/dbraw/zinc/17/05/05/463170505.db2.gz HHUPDTIYRFEZLU-MAUKXSAKSA-N 0 0 346.427 2.331 40 0 EEABRN CCc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3CCOC)c1 ZINC000096081235 463171043 /nfs/dbraw/zinc/17/10/43/463171043.db2.gz PQKFNLLOGDGSIP-CVEARBPZSA-N 0 0 331.416 2.103 40 0 EEABRN C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccccc1 ZINC000096109715 463178060 /nfs/dbraw/zinc/17/80/60/463178060.db2.gz ADJJYBNEKALELY-HNNXBMFYSA-N 0 0 342.443 2.065 40 0 EEABRN COc1cccc(C(=O)N2CCOC[C@H](Oc3cccnc3)C2)c1 ZINC000096113193 463179383 /nfs/dbraw/zinc/17/93/83/463179383.db2.gz LOZLOAUUQHFWMP-QGZVFWFLSA-N 0 0 328.368 2.010 40 0 biogenic,in-vitro EEABRN Cc1cccc(COC[C@H]2CC3(CO2)CCN(C(=O)N(C)C)CC3)n1 ZINC000096110796 463179511 /nfs/dbraw/zinc/17/95/11/463179511.db2.gz JYPXHHRXKWSHOC-QGZVFWFLSA-N 0 0 347.459 2.459 40 0 EEABRN O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COCc2ccncc2)C1 ZINC000096111171 463180174 /nfs/dbraw/zinc/18/01/74/463180174.db2.gz PYNWNIZTVPACHI-MJGOQNOKSA-N 0 0 345.443 2.295 40 0 EEABRN O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1cccnc1 ZINC000096112498 463180324 /nfs/dbraw/zinc/18/03/24/463180324.db2.gz AVIYXHVPRBJATI-ZDUSSCGKSA-N 0 0 326.331 2.072 40 0 biogenic,in-vitro EEABRN Cc1cnn(CCCNC(=O)CCc2ccc3c(c2)OCCCO3)c1 ZINC000079045155 463182775 /nfs/dbraw/zinc/18/27/75/463182775.db2.gz KWOYIYJWCLGQKC-UHFFFAOYSA-N 0 0 343.427 2.492 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(C(=O)CCOc1ccccc1)C2 ZINC000096198078 463204529 /nfs/dbraw/zinc/20/45/29/463204529.db2.gz WQPOUZPFGKYBQZ-MRXNPFEDSA-N 0 0 343.427 2.444 40 0 EEABRN O=C(NCc1cccnc1)N1CCN(CC2CC2)c2ncccc2C1 ZINC000096198924 463204779 /nfs/dbraw/zinc/20/47/79/463204779.db2.gz NDAYBPJXPJKBFC-UHFFFAOYSA-N 0 0 337.427 2.418 40 0 EEABRN O=C([O-])[C@@H]1C[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1ccccc1 ZINC000096198720 463204822 /nfs/dbraw/zinc/20/48/22/463204822.db2.gz LHBBUBQNLJBXSK-SJORKVTESA-N 0 0 330.428 2.159 40 0 EEABRN COCCO[C@H]1CCN(c2ccc(C)nn2)[C@H]1Cc1cccnc1 ZINC000096200513 463205607 /nfs/dbraw/zinc/20/56/07/463205607.db2.gz QWIIMLCMZILEQB-IRXDYDNUSA-N 0 0 328.416 2.033 40 0 EEABRN O=C(CC1CC1)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1 ZINC000096206555 463209016 /nfs/dbraw/zinc/20/90/16/463209016.db2.gz IZBWAKHMKFHIHM-KRWDZBQOSA-N 0 0 340.427 2.253 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096207972 463209986 /nfs/dbraw/zinc/20/99/86/463209986.db2.gz LLMFYPODDQGBPV-HKUYNNGSSA-N 0 0 349.402 2.391 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)cc1 ZINC000096220569 463218227 /nfs/dbraw/zinc/21/82/27/463218227.db2.gz MBFDURXUQILOEM-NSHGMRRFSA-N 0 0 345.439 2.423 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096237854 463223329 /nfs/dbraw/zinc/22/33/29/463223329.db2.gz ADRASWNUUFOWSW-FQEVSTJZSA-N 0 0 341.455 2.126 40 0 EEABRN CC(C)CC(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238211 463223364 /nfs/dbraw/zinc/22/33/64/463223364.db2.gz GWHMKTFOUHYYLF-KRWDZBQOSA-N 0 0 335.473 2.044 40 0 EEABRN CC(C)NC(=O)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239752 463224293 /nfs/dbraw/zinc/22/42/93/463224293.db2.gz UGXMBSAOJDRZJW-HNNXBMFYSA-N 0 0 339.390 2.132 40 0 EEABRN O=C(NC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096239622 463224497 /nfs/dbraw/zinc/22/44/97/463224497.db2.gz AKOHGPXZPORNMH-MRXNPFEDSA-N 0 0 336.386 2.491 40 0 EEABRN O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3)[C@H]2C1 ZINC000096244926 463225713 /nfs/dbraw/zinc/22/57/13/463225713.db2.gz YZZSQHBZRVXGHG-MOPGFXCFSA-N 0 0 342.464 2.333 40 0 EEABRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)N1CCCC1)C2 ZINC000096252278 463227458 /nfs/dbraw/zinc/22/74/58/463227458.db2.gz HUPFCRJMLUJNOW-CJNGLKHVSA-N 0 0 331.391 2.188 40 0 EEABRN COc1cccc(CN2C[C@H]3C[C@H](C(=O)NCC(C)C)[C@@H](C2)O3)c1 ZINC000096252954 463228779 /nfs/dbraw/zinc/22/87/79/463228779.db2.gz AUHULNSEIACGQU-FGTMMUONSA-N 0 0 332.444 2.057 40 0 EEABRN Cn1cccc1C(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255246 463228940 /nfs/dbraw/zinc/22/89/40/463228940.db2.gz MXYUSGMXYOXTSX-UHFFFAOYSA-N 0 0 333.395 2.118 40 0 EEABRN O=C(Cc1cccs1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096378277 463236869 /nfs/dbraw/zinc/23/68/69/463236869.db2.gz HVTLYYJGIQIBFE-UHFFFAOYSA-N 0 0 327.471 2.249 40 0 EEABRN CCc1[nH]n(C)c2nnc(NC(=O)Cc3ccc(C)c(OC)c3)c1-2 ZINC000096406468 463240197 /nfs/dbraw/zinc/24/01/97/463240197.db2.gz YCKUOQVNABUKLM-UHFFFAOYSA-N 0 0 327.388 2.357 40 0 EEABRN COCC(=O)N1CCC(NC(=O)C[C@H](C)c2ccccc2C)CC1 ZINC000096407489 463240475 /nfs/dbraw/zinc/24/04/75/463240475.db2.gz XZVKXCNVPGJQRD-HNNXBMFYSA-N 0 0 332.444 2.242 40 0 EEABRN Cc1ccc(/C=C/C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)o1 ZINC000096410230 463242452 /nfs/dbraw/zinc/24/24/52/463242452.db2.gz RTYFSHTWMISJGW-MDZDMXLPSA-N 0 0 334.397 2.289 40 0 EEABRN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1 ZINC000096410176 463242670 /nfs/dbraw/zinc/24/26/70/463242670.db2.gz LGNFMZIXLMIXLU-KRWDZBQOSA-N 0 0 325.412 2.429 40 0 EEABRN Cc1ccnc(NCc2cccc(OCCN3CCOCC3)c2)n1 ZINC000096412859 463245217 /nfs/dbraw/zinc/24/52/17/463245217.db2.gz ZTUYQFUTCCKVMD-UHFFFAOYSA-N 0 0 328.416 2.108 40 0 EEABRN CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000096413624 463245784 /nfs/dbraw/zinc/24/57/84/463245784.db2.gz KXPWPMLANFRIMU-PSLIRLAXSA-N 0 0 330.787 2.331 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H](c2nccn2C)c2ccccc2)[nH]n1 ZINC000096413273 463246132 /nfs/dbraw/zinc/24/61/32/463246132.db2.gz MMJMFFBPBXDWAD-MRXNPFEDSA-N 0 0 338.415 2.294 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)s1 ZINC000096415581 463248049 /nfs/dbraw/zinc/24/80/49/463248049.db2.gz JKEAWNWNRZMGEU-DRZSPHRISA-N 0 0 344.502 2.205 40 0 EEABRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000096415065 463248323 /nfs/dbraw/zinc/24/83/23/463248323.db2.gz GELLTMRRTJUSPR-CQSZACIVSA-N 0 0 340.420 2.061 40 0 EEABRN COCC(=O)N[C@H](C(=O)NCC1(c2ccccc2)CCC1)C(C)C ZINC000096420632 463252038 /nfs/dbraw/zinc/25/20/38/463252038.db2.gz WBWNRWNYBPWLND-KRWDZBQOSA-N 0 0 332.444 2.012 40 0 EEABRN CN(CCOC[C@H]1CCCO1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000096421108 463252925 /nfs/dbraw/zinc/25/29/25/463252925.db2.gz MTNOJOFSVBNKLF-OAHLLOKOSA-N 0 0 328.359 2.031 40 0 EEABRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1nccn1C ZINC000096421317 463253045 /nfs/dbraw/zinc/25/30/45/463253045.db2.gz CDXMIQRBAUOVQC-UHFFFAOYSA-N 0 0 341.198 2.438 40 0 EEABRN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)Cc1cccs1 ZINC000096422354 463253260 /nfs/dbraw/zinc/25/32/60/463253260.db2.gz DDJVWRIPECXVOS-YPMHNXCESA-N 0 0 326.487 2.307 40 0 EEABRN C[C@H]1C(=O)N(Cc2nnc(C3CC3)o2)C(=O)N1c1ccc(F)cc1 ZINC000096428822 463258702 /nfs/dbraw/zinc/25/87/02/463258702.db2.gz XCBKJDXEMFRCNI-VIFPVBQESA-N 0 0 330.319 2.443 40 0 EEABRN Cc1cc(N[C@H](CN2CCCC2=O)c2ccccc2)n2ncnc2n1 ZINC000096429580 463259099 /nfs/dbraw/zinc/25/90/99/463259099.db2.gz WIJWVJIKGAPERE-OAHLLOKOSA-N 0 0 336.399 2.208 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC(Nc3ccnc(C)n3)CC2)cc1 ZINC000096429117 463259439 /nfs/dbraw/zinc/25/94/39/463259439.db2.gz AVKFNANWCVJFFI-UHFFFAOYSA-N 0 0 346.456 2.359 40 0 EEABRN COc1csc(C(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)c1 ZINC000096446275 463270768 /nfs/dbraw/zinc/27/07/68/463270768.db2.gz LYVHJKRNJYJYBH-UHFFFAOYSA-N 0 0 334.397 2.256 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000096451193 463273194 /nfs/dbraw/zinc/27/31/94/463273194.db2.gz KEYAVZYTFLDYOI-UHFFFAOYSA-N 0 0 346.380 2.211 40 0 EEABRN C[C@H](c1cccs1)S(=O)(=O)CC(=O)N(C)CC(F)(F)F ZINC000096451880 463273300 /nfs/dbraw/zinc/27/33/00/463273300.db2.gz ZSVLFTGIUKYSLO-MRVPVSSYSA-N 0 0 329.365 2.245 40 0 EEABRN CN(CC(=O)NC1(C(=O)NCC2CC2)CCCC1)Cc1ccccc1 ZINC000096454596 463274308 /nfs/dbraw/zinc/27/43/08/463274308.db2.gz BKPFRLNIDSPYOD-UHFFFAOYSA-N 0 0 343.471 2.074 40 0 EEABRN CC(C)NC(=O)C[C@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000096465855 463277745 /nfs/dbraw/zinc/27/77/45/463277745.db2.gz AYVOOQWNPJXPSQ-NSHDSACASA-N 0 0 328.844 2.123 40 0 EEABRN CCNc1nc(C)c(C(=O)NCc2ccnc(-n3ccnc3)c2)s1 ZINC000096468108 463278028 /nfs/dbraw/zinc/27/80/28/463278028.db2.gz KADIZGHGXGCMTL-UHFFFAOYSA-N 0 0 342.428 2.394 40 0 EEABRN O=C(CCCNC(=O)C1=CCCC1)N1CCN(c2ccccc2)CC1 ZINC000096472589 463279237 /nfs/dbraw/zinc/27/92/37/463279237.db2.gz YSUCTXVPYCCBLE-UHFFFAOYSA-N 0 0 341.455 2.342 40 0 EEABRN Cn1cc(C(=O)C[C@H]2CCCN2CC(=O)Nc2ccccc2F)cn1 ZINC000096485964 463284004 /nfs/dbraw/zinc/28/40/04/463284004.db2.gz NIWIEQTWIFFQJA-CQSZACIVSA-N 0 0 344.390 2.235 40 0 EEABRN Cc1ccc(N(C)C(=O)CS(=O)(=O)C(C)(C)C)cc1N(C)C ZINC000096489126 463284699 /nfs/dbraw/zinc/28/46/99/463284699.db2.gz TWASOQZZTBERHG-UHFFFAOYSA-N 0 0 326.462 2.237 40 0 EEABRN Cc1nc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 ZINC000096490495 463287238 /nfs/dbraw/zinc/28/72/38/463287238.db2.gz XIFIBECQCJJPIT-GXTWGEPZSA-N 0 0 336.779 2.361 40 0 EEABRN CC(C)c1cccc(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)o2)c1 ZINC000096494227 463287991 /nfs/dbraw/zinc/28/79/91/463287991.db2.gz COGSIEQXEICCQN-OAHLLOKOSA-N 0 0 342.395 2.396 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)NCC(C)(C)O ZINC000096499847 463290772 /nfs/dbraw/zinc/29/07/72/463290772.db2.gz ZDDJJHSAFWBZFW-QMMMGPOBSA-N 0 0 336.358 2.193 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(OC)cc1 ZINC000096521441 463294305 /nfs/dbraw/zinc/29/43/05/463294305.db2.gz KWEHXMKISHWCMS-VXGBXAGGSA-N 0 0 337.235 2.274 40 0 EEABRN COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000030438377 463298763 /nfs/dbraw/zinc/29/87/63/463298763.db2.gz WNLXPVPJHZRTHZ-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)c(N(C)C)n1 ZINC000097095701 463321310 /nfs/dbraw/zinc/32/13/10/463321310.db2.gz UJXHCMVZZCCGAH-UHFFFAOYSA-N 0 0 348.353 2.103 40 0 EEABRN CNS(=O)(=O)c1ccc(NCc2cc(-c3ccccc3)on2)nc1 ZINC000097104576 463324903 /nfs/dbraw/zinc/32/49/03/463324903.db2.gz UKHBJULHLIOVES-UHFFFAOYSA-N 0 0 344.396 2.257 40 0 EEABRN O=S(=O)(c1c(F)cccc1F)N1CC(c2nc(C3CC3)no2)C1 ZINC000070637069 463377754 /nfs/dbraw/zinc/37/77/54/463377754.db2.gz OHQOQMUBFTWQHF-UHFFFAOYSA-N 0 0 341.339 2.013 40 0 EEABRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(Cn2cccn2)o1 ZINC000071195552 463411744 /nfs/dbraw/zinc/41/17/44/463411744.db2.gz SKRFXPWLPGCFLK-AWEZNQCLSA-N 0 0 325.372 2.065 40 0 EEABRN COc1cc(C(=S)N2CCOCC2)cc(Br)c1OC ZINC000033607916 463422251 /nfs/dbraw/zinc/42/22/51/463422251.db2.gz UUSMDBFCPOCJGE-UHFFFAOYSA-N 0 0 346.246 2.474 40 0 EEABRN O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccn2)CC1 ZINC000040489144 463457064 /nfs/dbraw/zinc/45/70/64/463457064.db2.gz BEPQNTNZZJXCGU-UHFFFAOYSA-N 0 0 336.317 2.458 40 0 EEABRN CCc1noc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000071987035 463480142 /nfs/dbraw/zinc/48/01/42/463480142.db2.gz VYVWQABBPXPTMN-CHWSQXEVSA-N 0 0 344.415 2.494 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)oc2C)c(C)o1 ZINC000081726285 463484812 /nfs/dbraw/zinc/48/48/12/463484812.db2.gz WIZXSMKYZDLNSU-VIFPVBQESA-N 0 0 340.401 2.197 40 0 EEABRN O=C(CC1CCCCC1)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000058162158 463546213 /nfs/dbraw/zinc/54/62/13/463546213.db2.gz JRQJRRYFUHNCKE-CQSZACIVSA-N 0 0 335.400 2.242 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2C)CC1 ZINC000042185152 463550061 /nfs/dbraw/zinc/55/00/61/463550061.db2.gz KNGCXVSVYDVZGZ-OAHLLOKOSA-N 0 0 334.416 2.371 40 0 EEABRN CCS(=O)(=O)CCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680662 463622457 /nfs/dbraw/zinc/62/24/57/463622457.db2.gz JGEVAXPMLYCJRO-UHFFFAOYSA-N 0 0 330.538 2.254 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CC2(O)CCCC2)C1=O ZINC000073793900 463657285 /nfs/dbraw/zinc/65/72/85/463657285.db2.gz NFCKTDSIADZJEG-HNNXBMFYSA-N 0 0 348.418 2.441 40 0 EEABRN CC(C)n1nccc1-c1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000257288460 463763506 /nfs/dbraw/zinc/76/35/06/463763506.db2.gz PUGMPFVAPYBKOX-CYBMUJFWSA-N 0 0 349.460 2.060 40 0 EEABRN CCn1cc(CN2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257292621 463764233 /nfs/dbraw/zinc/76/42/33/463764233.db2.gz QMIATYROOYSRIB-GOSISDBHSA-N 0 0 327.432 2.271 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000257291707 463765104 /nfs/dbraw/zinc/76/51/04/463765104.db2.gz QIHGTTCVSMTFLO-ZDUSSCGKSA-N 0 0 344.390 2.058 40 0 EEABRN Cc1nc(CC(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)cs1 ZINC000257293986 463766423 /nfs/dbraw/zinc/76/64/23/463766423.db2.gz QRYUIIQIQHMPFA-UHFFFAOYSA-N 0 0 343.456 2.277 40 0 EEABRN C[C@H](Nc1ccc2ncsc2c1)C(=O)NC(=O)NCC(F)(F)F ZINC000194011164 463771731 /nfs/dbraw/zinc/77/17/31/463771731.db2.gz ZDQKNYANQFQOHQ-ZETCQYMHSA-N 0 0 346.334 2.485 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 ZINC000257318797 463776033 /nfs/dbraw/zinc/77/60/33/463776033.db2.gz VPKQBCWRAVJVBF-KRWDZBQOSA-N 0 0 325.412 2.349 40 0 EEABRN Cc1oc2c(c1C(=O)N[C@@H]1CC[C@@H](n3ccnc3)[C@@H]1O)CCCC2 ZINC000257318508 463776183 /nfs/dbraw/zinc/77/61/83/463776183.db2.gz VOFWIOMVUZZVLX-CKEIUWERSA-N 0 0 329.400 2.158 40 0 EEABRN CN1C(=O)CCC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccccc1OCC(=O)[O-] ZINC000257329189 463780074 /nfs/dbraw/zinc/78/00/74/463780074.db2.gz XIWCGRLLLQUEBJ-HZPDHXFCSA-N 0 0 346.427 2.125 40 0 EEABRN CCCn1nccc1-c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257326356 463780259 /nfs/dbraw/zinc/78/02/59/463780259.db2.gz WWYBMAPWNRFQJO-CQSZACIVSA-N 0 0 348.472 2.179 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCCn2cccn2)nc(C)n1 ZINC000257332967 463781180 /nfs/dbraw/zinc/78/11/80/463781180.db2.gz XZMNZDRFOXYOBU-HNNXBMFYSA-N 0 0 328.420 2.167 40 0 EEABRN CNc1nccnc1[C@@H]1CN(CCOc2ccc(F)cc2)CCO1 ZINC000257330507 463781211 /nfs/dbraw/zinc/78/12/11/463781211.db2.gz XORZCLRBQGCDGV-HNNXBMFYSA-N 0 0 332.379 2.110 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3cncs3)CCN2C(C)=O)cc1 ZINC000257333955 463783297 /nfs/dbraw/zinc/78/32/97/463783297.db2.gz YDVOLOIQCZBQIK-OAHLLOKOSA-N 0 0 345.424 2.197 40 0 EEABRN COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(C(N)=O)s1 ZINC000257337356 463784901 /nfs/dbraw/zinc/78/49/01/463784901.db2.gz YSMHIZALWDDDBL-LLVKDONJSA-N 0 0 346.412 2.013 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257340174 463786283 /nfs/dbraw/zinc/78/62/83/463786283.db2.gz ZEXIVJDFUPFYON-KRWDZBQOSA-N 0 0 329.375 2.018 40 0 EEABRN CCCn1cc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)cn1 ZINC000257341773 463786387 /nfs/dbraw/zinc/78/63/87/463786387.db2.gz ZLXOQVUZXRFJDN-QGZVFWFLSA-N 0 0 329.448 2.328 40 0 EEABRN Cc1nc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)cc(=O)[nH]1 ZINC000257342807 463787468 /nfs/dbraw/zinc/78/74/68/463787468.db2.gz ZQFZZGOUQGPGCL-MRXNPFEDSA-N 0 0 345.374 2.162 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CO[C@@H](Cc3ccccn3)C2)CC1 ZINC000257343432 463787819 /nfs/dbraw/zinc/78/78/19/463787819.db2.gz ZTAJAJYEYHFXTC-SFHVURJKSA-N 0 0 344.455 2.448 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3coc(C)n3)CC2)cn1 ZINC000257344431 463788034 /nfs/dbraw/zinc/78/80/34/463788034.db2.gz ZXELQXNMPCCXAM-ZDUSSCGKSA-N 0 0 329.404 2.300 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000260894999 463791753 /nfs/dbraw/zinc/79/17/53/463791753.db2.gz GIVQBMVBKFJBFF-RYUDHWBXSA-N 0 0 330.425 2.141 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260892737 463791929 /nfs/dbraw/zinc/79/19/29/463791929.db2.gz FHMFTZLYUKHNJO-KGLIPLIRSA-N 0 0 326.462 2.310 40 0 EEABRN Cc1nccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000171992800 463962433 /nfs/dbraw/zinc/96/24/33/463962433.db2.gz LPVPIXPFARBGKO-WMZOPIPTSA-N 0 0 338.411 2.011 40 0 EEABRN COC(C)(C)CC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000279154215 464046545 /nfs/dbraw/zinc/04/65/45/464046545.db2.gz JQKVZKFXHVEOGW-LBPRGKRZSA-N 0 0 325.430 2.363 40 0 EEABRN Cc1cc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000195540570 464073320 /nfs/dbraw/zinc/07/33/20/464073320.db2.gz CPNKXOOTQVPBOF-ZDUSSCGKSA-N 0 0 335.429 2.374 40 0 EEABRN Cc1[nH]ccc1C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1 ZINC000195535164 464073571 /nfs/dbraw/zinc/07/35/71/464073571.db2.gz OQLMIAINZBJKGY-HNNXBMFYSA-N 0 0 329.425 2.155 40 0 EEABRN CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1 ZINC000195546977 464074867 /nfs/dbraw/zinc/07/48/67/464074867.db2.gz RIAYZDSSOJMGGO-CYBMUJFWSA-N 0 0 349.456 2.112 40 0 EEABRN COCC[C@](C)(O)CNC(=O)c1ccc(Br)c(C)c1 ZINC000179365699 464120237 /nfs/dbraw/zinc/12/02/37/464120237.db2.gz UEUQLBGBVRVRLQ-AWEZNQCLSA-N 0 0 330.222 2.275 40 0 EEABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN1CCOCC1 ZINC000222991019 464135678 /nfs/dbraw/zinc/13/56/78/464135678.db2.gz BTOCFXQSPNOODP-GOSISDBHSA-N 0 0 334.460 2.299 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000223189137 464137227 /nfs/dbraw/zinc/13/72/27/464137227.db2.gz LYRSTCFDOPEPLQ-OAHLLOKOSA-N 0 0 346.427 2.111 40 0 EEABRN CN(Cc1ccccc1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223617957 464145598 /nfs/dbraw/zinc/14/55/98/464145598.db2.gz UFSVJXDMMJADTE-KRWDZBQOSA-N 0 0 346.452 2.278 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCc1nccc(N2CCCC2)n1 ZINC000224151436 464148756 /nfs/dbraw/zinc/14/87/56/464148756.db2.gz JIKPDOGVXMOEER-AWEZNQCLSA-N 0 0 326.400 2.161 40 0 EEABRN CNC(=O)CCCC(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000225442803 464159181 /nfs/dbraw/zinc/15/91/81/464159181.db2.gz YARNWFBNXINILQ-QGZVFWFLSA-N 0 0 331.460 2.339 40 0 EEABRN CN(C(=O)[C@H](N)c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000225463855 464162688 /nfs/dbraw/zinc/16/26/88/464162688.db2.gz KIRJJAMCKVZODE-IAGOWNOFSA-N 0 0 341.386 2.089 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 ZINC000225472849 464164000 /nfs/dbraw/zinc/16/40/00/464164000.db2.gz PEONNYLCPVUDJK-MRXNPFEDSA-N 0 0 338.367 2.133 40 0 EEABRN Cn1ncc2c1nc(NCCOCc1ccc(Cl)cc1)nc2N ZINC000225513368 464168315 /nfs/dbraw/zinc/16/83/15/464168315.db2.gz DWBHNRFHIMPRAK-UHFFFAOYSA-N 0 0 332.795 2.228 40 0 EEABRN COc1c(CNS(=O)(=O)c2cc(C)c(Cl)s2)c(C)nn1C ZINC000225593330 464175235 /nfs/dbraw/zinc/17/52/35/464175235.db2.gz MMHWYRBRRROWLM-UHFFFAOYSA-N 0 0 349.865 2.239 40 0 EEABRN Cn1nc([C@@H]2CCCN2Cc2csc(-c3ccoc3)n2)nc1N ZINC000284390893 464175579 /nfs/dbraw/zinc/17/55/79/464175579.db2.gz VTAFJKFKKKBWPY-LBPRGKRZSA-N 0 0 330.417 2.451 40 0 EEABRN CN1CC[C@H](Nc2cnc(C(N)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225599486 464175719 /nfs/dbraw/zinc/17/57/19/464175719.db2.gz KUJUIBKCKQBQGK-WFASDCNBSA-N 0 0 349.797 2.225 40 0 EEABRN Cn1ccc(N2CCC[C@@H](SCCC(=O)OC(C)(C)C)C2=O)n1 ZINC000225641387 464177836 /nfs/dbraw/zinc/17/78/36/464177836.db2.gz YDYFAETZAOHSTB-GFCCVEGCSA-N 0 0 339.461 2.381 40 0 EEABRN CO[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(C)(C)C ZINC000173494520 464270525 /nfs/dbraw/zinc/27/05/25/464270525.db2.gz MSIFAXKZDDCHHW-HNNXBMFYSA-N 0 0 333.432 2.256 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000173647127 464300893 /nfs/dbraw/zinc/30/08/93/464300893.db2.gz CHVYJSNYQBHYPT-MMOPVJDHSA-N 0 0 348.450 2.466 40 0 EEABRN COc1cc(NC(=O)c2coc(C)c2)ccc1S(=O)(=O)N(C)C ZINC000188922829 464396075 /nfs/dbraw/zinc/39/60/75/464396075.db2.gz HRVPPEKHYJNHGJ-UHFFFAOYSA-N 0 0 338.385 2.099 40 0 EEABRN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nccn(C)c1=O ZINC000189125387 464439336 /nfs/dbraw/zinc/43/93/36/464439336.db2.gz PSIFZAXONMSIPV-VIFPVBQESA-N 0 0 341.289 2.205 40 0 EEABRN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000241693925 464454702 /nfs/dbraw/zinc/45/47/02/464454702.db2.gz QIWGCZMMXFOTIN-WBMJQRKESA-N 0 0 343.427 2.187 40 0 EEABRN Cn1cc(CN2CCCN(C(=O)[C@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000242317008 464458067 /nfs/dbraw/zinc/45/80/67/464458067.db2.gz YWNDQEOUSNHYAN-HNNXBMFYSA-N 0 0 340.418 2.280 40 0 EEABRN O=C(NCCCN1CCCC1=O)c1ccnc(OC2CCCC2)c1 ZINC000245053631 464466623 /nfs/dbraw/zinc/46/66/23/464466623.db2.gz PDRXBUFPLCTTNL-UHFFFAOYSA-N 0 0 331.416 2.145 40 0 EEABRN COc1ccc(-c2nnc(NC(=O)N[C@@H]3C[C@H](O)C3(C)C)s2)cc1 ZINC000189398211 464493725 /nfs/dbraw/zinc/49/37/25/464493725.db2.gz DDZQMOUTNFKMCB-NEPJUHHUSA-N 0 0 348.428 2.495 40 0 EEABRN Cc1cc2c(ncnc2N2CCN(C[C@H](O)C(F)(F)F)CC2)s1 ZINC000189512236 464522249 /nfs/dbraw/zinc/52/22/49/464522249.db2.gz VKSNWXHKLDYEPF-NSHDSACASA-N 0 0 346.378 2.045 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)OCC[C@H]2COCC1CCOCC1 ZINC000248053036 464726750 /nfs/dbraw/zinc/72/67/50/464726750.db2.gz XPCWDHSNRONUIH-INIZCTEOSA-N 0 0 349.427 2.262 40 0 EEABRN Cc1csc(CCCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000252494963 464967940 /nfs/dbraw/zinc/96/79/40/464967940.db2.gz OJHAGRSHWIJLFD-JTQLQIEISA-N 0 0 349.378 2.054 40 0 EEABRN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c2ccccc21 ZINC000252494513 464968548 /nfs/dbraw/zinc/96/85/48/464968548.db2.gz NXQOJECRJPEVBC-XJKCOSOUSA-N 0 0 336.457 2.454 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000252584818 464983688 /nfs/dbraw/zinc/98/36/88/464983688.db2.gz CZUAAGZOSYMSTQ-BSDSXHPESA-N 0 0 344.455 2.237 40 0 EEABRN C[C@H](O)[C@@H]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)C1 ZINC000253369421 464992866 /nfs/dbraw/zinc/99/28/66/464992866.db2.gz CHSLOJIBSWHEOZ-USXIJHARSA-N 0 0 342.443 2.116 40 0 EEABRN C[C@H](CNC(=O)Cc1cnc2ccccc2c1)N1CCOC[C@H]1C ZINC000253370837 464994376 /nfs/dbraw/zinc/99/43/76/464994376.db2.gz WXOUGIXZRHVXFE-HUUCEWRRSA-N 0 0 327.428 2.003 40 0 EEABRN CCO[C@H]1CSC2(CN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000253385313 464997620 /nfs/dbraw/zinc/99/76/20/464997620.db2.gz SFEYKBDMPGWCOV-CQSZACIVSA-N 0 0 325.405 2.328 40 0 EEABRN COC(=O)c1cncnc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000253393980 464998635 /nfs/dbraw/zinc/99/86/35/464998635.db2.gz STFUNLAQECMOOC-UHFFFAOYSA-N 0 0 332.791 2.243 40 0 EEABRN C[C@@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1nccs1 ZINC000253416482 465004196 /nfs/dbraw/zinc/00/41/96/465004196.db2.gz FHAYQLLRDPUUMU-LLVKDONJSA-N 0 0 335.408 2.270 40 0 EEABRN O=C(Cn1cnccc1=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000253421012 465009277 /nfs/dbraw/zinc/00/92/77/465009277.db2.gz OHWLTFNOXQYUFQ-LJQANCHMSA-N 0 0 345.402 2.418 40 0 EEABRN O=C(c1ncsc1-c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000253426734 465011407 /nfs/dbraw/zinc/01/14/07/465011407.db2.gz ILPRHEOZGJJUSR-OAHLLOKOSA-N 0 0 343.452 2.357 40 0 EEABRN CCN(C)C(=O)CNC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000253430092 465013586 /nfs/dbraw/zinc/01/35/86/465013586.db2.gz XALPPYUQEVGEGL-ZDUSSCGKSA-N 0 0 337.395 2.205 40 0 EEABRN C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976019 465880720 /nfs/dbraw/zinc/88/07/20/465880720.db2.gz UCHHOLLGNPCBBJ-OLZOCXBDSA-N 0 0 331.478 2.054 40 0 EEABRN CCN1C[C@H](c2ccccc2)OC[C@@]12CCN(C(=O)NC1CC1)C2 ZINC000306143624 466493797 /nfs/dbraw/zinc/49/37/97/466493797.db2.gz YHAHWYYQMUUPTO-MJGOQNOKSA-N 0 0 329.444 2.396 40 0 EEABRN O=C(CSCc1ccccc1Cl)NCCN1CCOCC1 ZINC000408567283 466681430 /nfs/dbraw/zinc/68/14/30/466681430.db2.gz QUJXLYONTIDPHA-UHFFFAOYSA-N 0 0 328.865 2.022 40 0 EEABRN CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409363845 466686318 /nfs/dbraw/zinc/68/63/18/466686318.db2.gz VKBPNQQOVNCRGS-CYBMUJFWSA-N 0 0 334.269 2.454 40 0 EEABRN Cn1cc(S(=O)(=O)N2CCCC[C@H]2CSC(C)(C)C)cn1 ZINC000390831032 467413111 /nfs/dbraw/zinc/41/31/11/467413111.db2.gz PEMOTDZXBMYKOR-LBPRGKRZSA-N 0 0 331.507 2.495 40 0 EEABRN Cn1nc(C(=O)NCc2nc(C3CCCCC3)cs2)ccc1=O ZINC000390830752 467413279 /nfs/dbraw/zinc/41/32/79/467413279.db2.gz NCKXTTDPHYBPCI-UHFFFAOYSA-N 0 0 332.429 2.215 40 0 EEABRN CO[C@H]1CSC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 ZINC000575402329 468140377 /nfs/dbraw/zinc/14/03/77/468140377.db2.gz APPFYQPGUOWCJF-OAHLLOKOSA-N 0 0 333.453 2.287 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000575405084 468141471 /nfs/dbraw/zinc/14/14/71/468141471.db2.gz RVJZCZKSDRHTJY-GFCCVEGCSA-N 0 0 345.424 2.411 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 ZINC000575404609 468141836 /nfs/dbraw/zinc/14/18/36/468141836.db2.gz SQJUSHDIEFRWTF-SHARSMKWSA-N 0 0 334.391 2.216 40 0 EEABRN Cc1nc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cs1 ZINC000575414402 468142535 /nfs/dbraw/zinc/14/25/35/468142535.db2.gz CQICZZDOSRPJKV-QMMMGPOBSA-N 0 0 345.350 2.098 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 ZINC000575405885 468142572 /nfs/dbraw/zinc/14/25/72/468142572.db2.gz UROPLPAMPKBYJY-ZTFGCOKTSA-N 0 0 325.412 2.467 40 0 EEABRN C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)C1CCC1 ZINC000585096482 468964285 /nfs/dbraw/zinc/96/42/85/468964285.db2.gz PTKFILXPUNCAKV-GFCCVEGCSA-N 0 0 342.399 2.109 40 0 EEABRN CCOCCc1cnc2n1CCN(C(=O)c1cccnc1OC)[C@H]2C ZINC000585097890 468965989 /nfs/dbraw/zinc/96/59/89/468965989.db2.gz OOWAVGQNLFGXOG-ZDUSSCGKSA-N 0 0 344.415 2.083 40 0 EEABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)[C@@H]2CCCO2)C3)s1 ZINC000585101848 468968670 /nfs/dbraw/zinc/96/86/70/468968670.db2.gz IZTYWGHSDCZWBA-DOTOQJQBSA-N 0 0 335.473 2.197 40 0 EEABRN Cc1nocc1C(=O)N1CC[C@@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC000585106919 468972489 /nfs/dbraw/zinc/97/24/89/468972489.db2.gz LHQWRJVXBJZHMK-APWZRJJASA-N 0 0 339.395 2.071 40 0 EEABRN O=C(CC1CC1)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 ZINC000585112177 468975126 /nfs/dbraw/zinc/97/51/26/468975126.db2.gz KJTJBMPFCQUWEN-OAHLLOKOSA-N 0 0 328.416 2.339 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)s1 ZINC000585111768 468975164 /nfs/dbraw/zinc/97/51/64/468975164.db2.gz HBGCPZZOBUQRRM-AWEZNQCLSA-N 0 0 333.461 2.081 40 0 EEABRN Cc1onc(N)c1S(=O)(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000585123491 468981038 /nfs/dbraw/zinc/98/10/38/468981038.db2.gz RAYQXXWDSYVVAF-UHFFFAOYSA-N 0 0 343.355 2.201 40 0 EEABRN CC(C)(C)n1cnc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)n1 ZINC000585140423 468988319 /nfs/dbraw/zinc/98/83/19/468988319.db2.gz DGWVBWFFIHVMGA-CYBMUJFWSA-N 0 0 340.387 2.130 40 0 EEABRN NC(=O)[C@H]1CCN(Cc2c(Br)cc(F)c(F)c2F)C1 ZINC000585141319 468989996 /nfs/dbraw/zinc/98/99/96/468989996.db2.gz TWNUAIBOKFQIEZ-LURJTMIESA-N 0 0 337.139 2.174 40 0 EEABRN O=C(c1nnc(-c2ccco2)o1)N1CC[C@H](Oc2ccccn2)C1 ZINC000585141024 468990316 /nfs/dbraw/zinc/99/03/16/468990316.db2.gz OGWHEDDTYVISLU-NSHDSACASA-N 0 0 326.312 2.018 40 0 EEABRN Cc1cccc(O[C@@H](C)C(=O)NCCn2nc(C3CC3)ccc2=O)c1 ZINC000585150013 468994438 /nfs/dbraw/zinc/99/44/38/468994438.db2.gz YVBKIFYBYNEKLG-AWEZNQCLSA-N 0 0 341.411 2.013 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)CCO2)n1 ZINC000585181471 468996077 /nfs/dbraw/zinc/99/60/77/468996077.db2.gz ZMIMGQKYSSHYOT-OAHLLOKOSA-N 0 0 339.399 2.127 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272767 468999178 /nfs/dbraw/zinc/99/91/78/468999178.db2.gz QTHGJKZEGLBADB-FQEVSTJZSA-N 0 0 341.407 2.280 40 0 EEABRN CNC(=O)C[C@]1(COC)CCCN1C(=O)Cc1ccccc1Cl ZINC000585278726 469004973 /nfs/dbraw/zinc/00/49/73/469004973.db2.gz RIJFDMYVYIVKGV-KRWDZBQOSA-N 0 0 338.835 2.026 40 0 EEABRN CNc1cnc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](OC)C2)nc1 ZINC000585279963 469005872 /nfs/dbraw/zinc/00/58/72/469005872.db2.gz UQRCLDVINJTNKU-NVXWUHKLSA-N 0 0 340.427 2.238 40 0 EEABRN CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585292027 469010683 /nfs/dbraw/zinc/01/06/83/469010683.db2.gz VPWXJOUFBJMMDK-LDZGNZEFSA-N 0 0 341.411 2.242 40 0 EEABRN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1c(F)cccc1F ZINC000585292792 469011744 /nfs/dbraw/zinc/01/17/44/469011744.db2.gz OBOQUELHHLLNLG-FSPWUOQZSA-N 0 0 337.341 2.425 40 0 EEABRN C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643875755 470808991 /nfs/dbraw/zinc/80/89/91/470808991.db2.gz ADBMXLCJQRBBCS-AWEZNQCLSA-N 0 0 342.798 2.377 40 0 EEABRN CCOC1CC(CNc2nnc(C(C)C)s2)(N2CCOCC2)C1 ZINC000253425087 521647934 /nfs/dbraw/zinc/64/79/34/521647934.db2.gz ARZGAPTVCYHIDX-UHFFFAOYSA-N 0 0 340.493 2.343 40 0 EEABRN Cc1csc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000096406772 526388713 /nfs/dbraw/zinc/38/87/13/526388713.db2.gz RHVOISSYTZCTHZ-LBPRGKRZSA-N 0 0 334.401 2.357 40 0 EEABRN CC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000156482249 529225942 /nfs/dbraw/zinc/22/59/42/529225942.db2.gz DSRDEWJCFZISLM-RISCZKNCSA-N 0 0 330.306 2.243 40 0 EEABRN CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1 ZINC000257209115 536053607 /nfs/dbraw/zinc/05/36/07/536053607.db2.gz BPBVVLVUSKQSQW-UHFFFAOYSA-N 0 0 335.411 2.259 40 0 EEABRN O[C@@H]1CN(c2nccs2)C[C@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000894696526 683035887 /nfs/dbraw/zinc/03/58/87/683035887.db2.gz ZUMORFFOZHGNFA-HZPDHXFCSA-N 0 0 342.424 2.016 40 0 EEABRN CCc1nc(CNC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)co1 ZINC000895222068 684309449 /nfs/dbraw/zinc/30/94/49/684309449.db2.gz XRMTXSGXUQMREN-UHFFFAOYSA-N 0 0 343.383 2.497 40 0 EEABRN Cn1ncc2c1CCCN(Cc1ccc(-n3cncn3)c(F)c1)C2 ZINC000585140122 1184702505 /nfs/dbraw/zinc/70/25/05/1184702505.db2.gz NYPZHVNNEOMMIN-UHFFFAOYSA-N 0 0 326.379 2.088 40 0 EEABRN O=C(NCCCn1ccnc1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000027982232 1351702417 /nfs/dbraw/zinc/70/24/17/1351702417.db2.gz JFAUWQMTOVABIB-UHFFFAOYSA-N 0 0 333.779 2.194 40 0 EEABRN CCN1OC2(CC1=O)CCN(C(=O)Nc1ccccc1OC)CC2 ZINC001549168441 1121136399 /nfs/dbraw/zinc/13/63/99/1121136399.db2.gz WLENWGNPZSHTBU-UHFFFAOYSA-N 0 0 333.388 2.246 40 0 EEABRN Cc1ccc(N2C[C@@H](C(=O)NCCc3cccc(O)c3)CC2=O)cc1 ZINC000060210889 214630276 /nfs/dbraw/zinc/63/02/76/214630276.db2.gz ARYXTVUTMXPBKG-INIZCTEOSA-N 0 0 338.407 2.412 40 0 EEABRN O=C(c1ccccc1)N1CC[C@H]2NC(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004260628 210153964 /nfs/dbraw/zinc/15/39/64/210153964.db2.gz FMHHFIPXKHWKIJ-CVEARBPZSA-N 0 0 335.363 2.026 40 0 biogenic,in-vitro EEABRN COc1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1 ZINC000004126988 210128252 /nfs/dbraw/zinc/12/82/52/210128252.db2.gz DAQRVRKDXSUHNL-UHFFFAOYSA-N 0 0 341.396 2.402 40 0 EEABRN CCCNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046057933 213778113 /nfs/dbraw/zinc/77/81/13/213778113.db2.gz RGLNUTSKXDIOQS-UHFFFAOYSA-N 0 0 326.443 2.437 40 0 EEABRN CN1CCN(c2ncc3c(ccn(C4CCCCCC4)c3=O)n2)CC1 ZINC000009290394 282971360 /nfs/dbraw/zinc/97/13/60/282971360.db2.gz DQJAAXGBQUOWIM-UHFFFAOYSA-N 0 0 341.459 2.439 40 0 EEABRN CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000067896919 215244950 /nfs/dbraw/zinc/24/49/50/215244950.db2.gz USKUPPVKKFIHMY-SJLPKXTDSA-N 0 0 346.427 2.096 40 0 biogenic,in-vitro EEABRN COc1cccc(CNC(=O)[C@@]2(C)Oc3ccc(C)cc3NC2=O)c1 ZINC000040779189 213385898 /nfs/dbraw/zinc/38/58/98/213385898.db2.gz VEFXSVWOQUEALJ-LJQANCHMSA-N 0 0 340.379 2.410 40 0 EEABRN CCOc1ccc(Oc2ccc(NCC(=O)NC(N)=O)cc2)cc1 ZINC000040463492 213307674 /nfs/dbraw/zinc/30/76/74/213307674.db2.gz CXFPPEIFIYYWOK-UHFFFAOYSA-N 0 0 329.356 2.484 40 0 EEABRN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(CC2CC2)ns1 ZINC000685939040 539988937 /nfs/dbraw/zinc/98/89/37/539988937.db2.gz ZCEPQQOPNMZOGY-DGCLKSJQSA-N 0 0 347.444 2.423 40 0 EEABRN O=C([O-])[C@H]([NH2+]CCC[NH2+][C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000001687670 209782352 /nfs/dbraw/zinc/78/23/52/209782352.db2.gz YUTWBBWATPZAGH-IAGOWNOFSA-N 0 0 342.395 2.208 40 0 EEABRN O=C(OC[C@@H]1CCCO1)c1cc(I)ccc1O ZINC000039951618 213243439 /nfs/dbraw/zinc/24/34/39/213243439.db2.gz QKMWNZQJGDWECG-VIFPVBQESA-N 0 0 348.136 2.333 40 0 EEABRN CCn1c(SCCCC(=O)N(C)C)nc2ccsc2c1=O ZINC000187865458 236320968 /nfs/dbraw/zinc/32/09/68/236320968.db2.gz JDJCUUSROBIRLU-UHFFFAOYSA-N 0 0 325.459 2.438 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)nn1C ZINC000071195779 215743455 /nfs/dbraw/zinc/74/34/55/215743455.db2.gz NACJUUHZEPHXSS-MRXNPFEDSA-N 0 0 348.410 2.388 40 0 EEABRN C[C@@H](Cn1c2ccccc2oc1=O)NC(=O)c1ccc2c(c1)OCO2 ZINC000072324325 216151663 /nfs/dbraw/zinc/15/16/63/216151663.db2.gz JCKLHKKIWWJMDR-NSHDSACASA-N 0 0 340.335 2.142 40 0 EEABRN C[C@H]1CN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC[C@@H]1O ZINC000072340310 216158580 /nfs/dbraw/zinc/15/85/80/216158580.db2.gz MQWULOCVSPUDPJ-WFASDCNBSA-N 0 0 337.383 2.401 40 0 EEABRN Cn1c2ccccc2nc1N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000072347649 216161004 /nfs/dbraw/zinc/16/10/04/216161004.db2.gz QFIDXGJMVZDTON-UHFFFAOYSA-N 0 0 336.399 2.218 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cncc(Nc3cccc(C)n3)n2)C1 ZINC000072354343 216162768 /nfs/dbraw/zinc/16/27/68/216162768.db2.gz QEXZHHIARURIEW-AWEZNQCLSA-N 0 0 341.415 2.276 40 0 EEABRN NC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072361812 216169255 /nfs/dbraw/zinc/16/92/55/216169255.db2.gz OKRCQTUEEAAXFM-GFCCVEGCSA-N 0 0 330.363 2.073 40 0 EEABRN C[C@H](CCO)[NH+]1CCC(Cc2cc([N-]c3nncs3)ncn2)CC1 ZINC000072363690 216170024 /nfs/dbraw/zinc/17/00/24/216170024.db2.gz SKWUQPUWRLYRGW-GFCCVEGCSA-N 0 0 348.476 2.097 40 0 EEABRN Cc1cccnc1Nc1nccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072377667 216179461 /nfs/dbraw/zinc/17/94/61/216179461.db2.gz CHDSISXGTVSXCL-ZDUSSCGKSA-N 0 0 347.444 2.063 40 0 EEABRN CNC(=O)c1ccc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nc1 ZINC000072388082 216188587 /nfs/dbraw/zinc/18/85/87/216188587.db2.gz UMWGWNMGLKGMGJ-QGZVFWFLSA-N 0 0 329.375 2.154 40 0 EEABRN CC(C)[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000193924503 240364551 /nfs/dbraw/zinc/36/45/51/240364551.db2.gz SIHJHTGHIDTTCV-RISCZKNCSA-N 0 0 346.880 2.433 40 0 EEABRN C[C@@H]1COCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000072513666 216266256 /nfs/dbraw/zinc/26/62/56/216266256.db2.gz RYUSNVVQPLDJPL-MRVPVSSYSA-N 0 0 349.175 2.387 40 0 EEABRN O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000072523711 216268234 /nfs/dbraw/zinc/26/82/34/216268234.db2.gz FSWWDNKOPFWWPH-ZACQAIPSSA-N 0 0 328.416 2.400 40 0 EEABRN Cc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2c2cccs2)c(C)c1 ZINC000072799622 216308187 /nfs/dbraw/zinc/30/81/87/216308187.db2.gz JYMHLSLTUKMJEJ-KRWDZBQOSA-N 0 0 343.452 2.477 40 0 EEABRN CC(C)C[C@@H]1COCCN1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000073038299 216343428 /nfs/dbraw/zinc/34/34/28/216343428.db2.gz QCSWTOXXXPJJGL-MRXNPFEDSA-N 0 0 334.464 2.218 40 0 EEABRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(C)cn1 ZINC000073262792 216370227 /nfs/dbraw/zinc/37/02/27/216370227.db2.gz AOJHMBXWUWQCQR-LBPRGKRZSA-N 0 0 343.431 2.006 40 0 EEABRN COC(=O)[C@@H](c1ccsc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000253396398 291298952 /nfs/dbraw/zinc/29/89/52/291298952.db2.gz BJPRTZVZIAVYKD-JKSUJKDBSA-N 0 0 338.473 2.149 40 0 EEABRN C[C@H](CO)CNC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193040091 239993621 /nfs/dbraw/zinc/99/36/21/239993621.db2.gz LNFZXLCHGYNQGL-JTQLQIEISA-N 0 0 331.338 2.314 40 0 EEABRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccoc2Br)C1 ZINC000193316446 240103743 /nfs/dbraw/zinc/10/37/43/240103743.db2.gz WQYAIIMCPPDSMG-SECBINFHSA-N 0 0 345.193 2.393 40 0 EEABRN O=c1n(Cc2ccc(F)c(Br)c2)nnn1-c1ccccc1 ZINC000195685656 241031288 /nfs/dbraw/zinc/03/12/88/241031288.db2.gz AIAJXZGGQLVJBY-UHFFFAOYSA-N 0 0 349.163 2.379 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000223293584 241630242 /nfs/dbraw/zinc/63/02/42/241630242.db2.gz ZMCMTFMJJSHZMB-JLHYYAGUSA-N 0 0 330.409 2.271 40 0 EEABRN Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1C ZINC000225191320 241807464 /nfs/dbraw/zinc/80/74/64/241807464.db2.gz RYMPRVKSGFGRNC-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN COc1ccc2ccccc2c1CNC(=O)N[C@H](C)C(=O)NCCF ZINC000225688798 241988429 /nfs/dbraw/zinc/98/84/29/241988429.db2.gz VBTDBEUTKHYQIT-GFCCVEGCSA-N 0 0 347.390 2.122 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCCCCC2)n1 ZINC000225878287 242067661 /nfs/dbraw/zinc/06/76/61/242067661.db2.gz DCSCPOHTUACHJC-UHFFFAOYSA-N 0 0 334.493 2.373 40 0 EEABRN Cc1nc(CN2CCC(CNC(=O)N3CCCCO3)CC2)cs1 ZINC000225789125 242036534 /nfs/dbraw/zinc/03/65/34/242036534.db2.gz RQHUDBBVUCJHLE-UHFFFAOYSA-N 0 0 338.477 2.401 40 0 EEABRN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCCCCC1=O ZINC000227115661 242122501 /nfs/dbraw/zinc/12/25/01/242122501.db2.gz YERIZCQQEBQNBG-MRXNPFEDSA-N 0 0 329.444 2.126 40 0 EEABRN CC[C@@H](NC(=O)COCc1ccnn1C)c1nc2ccccc2[nH]1 ZINC000252504473 243827449 /nfs/dbraw/zinc/82/74/49/243827449.db2.gz VJCMTYACRADKHN-CYBMUJFWSA-N 0 0 327.388 2.081 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000253433665 243991687 /nfs/dbraw/zinc/99/16/87/243991687.db2.gz ZZYUHMCCXBRYKR-BXUZGUMPSA-N 0 0 337.782 2.484 40 0 EEABRN O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257207219 244135975 /nfs/dbraw/zinc/13/59/75/244135975.db2.gz BGVNWZYNWVBITN-CQSZACIVSA-N 0 0 337.379 2.364 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2C(=O)CCc2cccnc2)n1 ZINC000257200912 244117897 /nfs/dbraw/zinc/11/78/97/244117897.db2.gz AFIJYOSTCKGFPU-INIZCTEOSA-N 0 0 325.416 2.234 40 0 EEABRN Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 ZINC000020245506 212114918 /nfs/dbraw/zinc/11/49/18/212114918.db2.gz VXOBXHPSYHVMNH-UHFFFAOYSA-N 0 0 347.440 2.490 40 0 EEABRN Cc1ccccc1CNC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000020236581 212112984 /nfs/dbraw/zinc/11/29/84/212112984.db2.gz WZXNYCTYQUPRHB-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN CC(C)n1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 ZINC000257244523 244252882 /nfs/dbraw/zinc/25/28/82/244252882.db2.gz ILSZYXQQMBVNOI-CYBMUJFWSA-N 0 0 349.460 2.060 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)Cc2c(C)noc2C)CCN1C ZINC000257232758 244221219 /nfs/dbraw/zinc/22/12/19/244221219.db2.gz GMGRMMSATMRMPT-KRWDZBQOSA-N 0 0 343.427 2.358 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1 ZINC000257256862 244284734 /nfs/dbraw/zinc/28/47/34/244284734.db2.gz KNEUJKHDFRMWQE-MRXNPFEDSA-N 0 0 343.402 2.499 40 0 EEABRN O=C(c1cccs1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257258490 244291675 /nfs/dbraw/zinc/29/16/75/244291675.db2.gz KUFLHKAAPVFQGB-HUUCEWRRSA-N 0 0 342.420 2.000 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257268671 244368809 /nfs/dbraw/zinc/36/88/09/244368809.db2.gz MMRCJLOCBBSEOO-OAHLLOKOSA-N 0 0 345.374 2.162 40 0 EEABRN Cc1cc(C)n(CC(=O)N2C[C@H]3[C@H](CC[C@@H]3Oc3cccnc3)C2)n1 ZINC000257272588 244382346 /nfs/dbraw/zinc/38/23/46/244382346.db2.gz NCZHKWWKUBVDES-NJAFHUGGSA-N 0 0 340.427 2.211 40 0 EEABRN O=C(CC1CCOCC1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257273775 244386673 /nfs/dbraw/zinc/38/66/73/244386673.db2.gz NICYSUVRDZZYPS-HNNXBMFYSA-N 0 0 344.415 2.305 40 0 EEABRN COc1ccc(CC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)cc1F ZINC000257315007 244501740 /nfs/dbraw/zinc/50/17/40/244501740.db2.gz UZMVSACCZWQLNF-AWEZNQCLSA-N 0 0 333.363 2.008 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257330952 244548979 /nfs/dbraw/zinc/54/89/79/244548979.db2.gz XQTDCTGEOGDPSD-CYBMUJFWSA-N 0 0 333.413 2.059 40 0 EEABRN CN(C)C(=O)CC1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019748474 212062523 /nfs/dbraw/zinc/06/25/23/212062523.db2.gz NXNKGHZCNZPJLG-UHFFFAOYSA-N 0 0 332.429 2.022 40 0 EEABRN O=C(CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CC1 ZINC000019345997 212019037 /nfs/dbraw/zinc/01/90/37/212019037.db2.gz WQMJPFKFKZDJHK-ZDUSSCGKSA-N 0 0 349.818 2.163 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2nccs2)C1 ZINC000078111994 217024068 /nfs/dbraw/zinc/02/40/68/217024068.db2.gz FARKVNLOAROHQM-QWHCGFSZSA-N 0 0 338.477 2.398 40 0 EEABRN Cc1csc2c([C@H]3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12 ZINC000019240430 212008089 /nfs/dbraw/zinc/00/80/89/212008089.db2.gz BBTMFFIJZHJSCW-ZDUSSCGKSA-N 0 0 344.444 2.010 40 0 EEABRN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cn2cccc2)cc1 ZINC000078443755 217053747 /nfs/dbraw/zinc/05/37/47/217053747.db2.gz HSCYYZVDYTUWQS-UHFFFAOYSA-N 0 0 345.358 2.477 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000078556378 217076096 /nfs/dbraw/zinc/07/60/96/217076096.db2.gz SFCNNTDLIGFPBH-QLFBSQMISA-N 0 0 339.457 2.101 40 0 EEABRN CN(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000078611480 217086564 /nfs/dbraw/zinc/08/65/64/217086564.db2.gz TZOSDGCGGGOHNY-AWEZNQCLSA-N 0 0 333.432 2.492 40 0 EEABRN O=C(NCc1nc(Cc2cccc(Br)c2)no1)C1CC1 ZINC000078774992 217118579 /nfs/dbraw/zinc/11/85/79/217118579.db2.gz KTAGQTHNHZHLQJ-UHFFFAOYSA-N 0 0 336.189 2.449 40 0 EEABRN COc1ccc(OC)c(NC(=O)C[C@H]2Nc3ccccc3OC2=O)c1 ZINC000017071504 211952464 /nfs/dbraw/zinc/95/24/64/211952464.db2.gz DKPDFLIPZJUHEX-CQSZACIVSA-N 0 0 342.351 2.432 40 0 EEABRN CCc1nc(CN2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)no1 ZINC000078778033 217120413 /nfs/dbraw/zinc/12/04/13/217120413.db2.gz ITOUPRSKOBCVBT-VMPITWQZSA-N 0 0 344.390 2.129 40 0 EEABRN COc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078879473 217137486 /nfs/dbraw/zinc/13/74/86/217137486.db2.gz PWLHVPKWEZGWPB-CQSZACIVSA-N 0 0 334.416 2.363 40 0 EEABRN CC(=O)Nc1cccc(CNC(=O)NCCc2ccc(C)nc2)c1 ZINC000078924984 217149588 /nfs/dbraw/zinc/14/95/88/217149588.db2.gz CBYOCKCOPCPLDX-UHFFFAOYSA-N 0 0 326.400 2.390 40 0 EEABRN C[C@H]1CN(C(=O)NCc2cccc(COC3CCOCC3)c2)CCO1 ZINC000078926361 217150468 /nfs/dbraw/zinc/15/04/68/217150468.db2.gz FWWJXQIZNZNKJR-HNNXBMFYSA-N 0 0 348.443 2.313 40 0 EEABRN C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000078926162 217150495 /nfs/dbraw/zinc/15/04/95/217150495.db2.gz GBTOBKUQTGYPOV-OCCSQVGLSA-N 0 0 334.420 2.451 40 0 EEABRN CCCn1c(=O)[nH]nc1SCc1nnc(-c2ccccc2F)o1 ZINC000078935734 217151285 /nfs/dbraw/zinc/15/12/85/217151285.db2.gz OHNUGKJSEACKAP-UHFFFAOYSA-N 0 0 335.364 2.463 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000078985895 217165005 /nfs/dbraw/zinc/16/50/05/217165005.db2.gz YUGODOKBCDYIBO-GXFFZTMASA-N 0 0 349.412 2.277 40 0 EEABRN O=C(CSc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000078987030 217166243 /nfs/dbraw/zinc/16/62/43/217166243.db2.gz IABXOBAKVVZGSB-LLVKDONJSA-N 0 0 332.347 2.058 40 0 EEABRN Cc1nc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cs1 ZINC000079048703 217182181 /nfs/dbraw/zinc/18/21/81/217182181.db2.gz MHXOCKNXYYWYFT-CQSZACIVSA-N 0 0 341.396 2.284 40 0 EEABRN CCc1cc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)[nH]n1 ZINC000079002201 217172834 /nfs/dbraw/zinc/17/28/34/217172834.db2.gz POJZKVDKJSTMED-UHFFFAOYSA-N 0 0 335.429 2.084 40 0 EEABRN COc1ncccc1NC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000079336376 217211367 /nfs/dbraw/zinc/21/13/67/217211367.db2.gz PRISMSLBHHWCEM-UHFFFAOYSA-N 0 0 342.399 2.146 40 0 EEABRN Cc1ccc(CNC(=O)N2CCN([C@H](C)c3cccnc3)CC2)cn1 ZINC000079355138 217213032 /nfs/dbraw/zinc/21/30/32/217213032.db2.gz DSCDVLNKVJXZIH-MRXNPFEDSA-N 0 0 339.443 2.373 40 0 EEABRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CCS(C)(=O)=O ZINC000080168024 217285265 /nfs/dbraw/zinc/28/52/65/217285265.db2.gz OZMNUKWMQHUZGV-ABAIWWIYSA-N 0 0 342.436 2.135 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(F)c(F)c1 ZINC000015011751 211787998 /nfs/dbraw/zinc/78/79/98/211787998.db2.gz HTIJKHVCGMJBQA-TXEJJXNPSA-N 0 0 334.322 2.245 40 0 EEABRN CCCc1nc2n(n1)[C@H](c1cccnc1)C(C(=O)OCC)C(C)=N2 ZINC000013637128 211595797 /nfs/dbraw/zinc/59/57/97/211595797.db2.gz QGQQQUWRPXBJMM-OAHLLOKOSA-N 0 0 327.388 2.478 40 0 EEABRN Cc1ccc(NC(=O)N2CC[C@]3(CCOC3)C2)cc1S(C)(=O)=O ZINC000089306754 217785610 /nfs/dbraw/zinc/78/56/10/217785610.db2.gz SWLZEQOAVDFXKK-INIZCTEOSA-N 0 0 338.429 2.043 40 0 EEABRN CCCc1cc(CNC(=O)c2nnn(-c3ccccc3)c2C)on1 ZINC000012192540 211315599 /nfs/dbraw/zinc/31/55/99/211315599.db2.gz LDFHVEKHGFYVNJ-UHFFFAOYSA-N 0 0 325.372 2.446 40 0 EEABRN COc1cc(C(=O)NCCc2nc(C)ncc2-c2ccncc2)ccn1 ZINC000012133947 211302039 /nfs/dbraw/zinc/30/20/39/211302039.db2.gz SEXWEJIEVJGRJR-UHFFFAOYSA-N 0 0 349.394 2.223 40 0 EEABRN CCc1cc(C(=O)NCCc2nc(C)ncc2-c2ccncc2)no1 ZINC000012133949 211302111 /nfs/dbraw/zinc/30/21/11/211302111.db2.gz VLBZBQINVRMFMK-UHFFFAOYSA-N 0 0 337.383 2.370 40 0 EEABRN C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2ccnc2)nn1 ZINC000012113276 211292735 /nfs/dbraw/zinc/29/27/35/211292735.db2.gz XHUIGZULNHELRQ-ZDUSSCGKSA-N 0 0 342.378 2.043 40 0 EEABRN O=C(Cn1nc(-c2cccc3ncccc32)oc1=O)N1CCCCC1 ZINC000012117139 211296218 /nfs/dbraw/zinc/29/62/18/211296218.db2.gz QRBLJQHXSHVCNI-UHFFFAOYSA-N 0 0 338.367 2.064 40 0 EEABRN C[C@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000091427597 218003744 /nfs/dbraw/zinc/00/37/44/218003744.db2.gz GVXVLWXZQSKSPW-KWQFWETISA-N 0 0 338.351 2.332 40 0 EEABRN CCc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 ZINC000009064292 211037616 /nfs/dbraw/zinc/03/76/16/211037616.db2.gz WWAWXVLYNLLEPO-UHFFFAOYSA-N 0 0 327.409 2.475 40 0 EEABRN CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 ZINC000008810613 211007744 /nfs/dbraw/zinc/00/77/44/211007744.db2.gz WLWYXKIGNJLLEY-UHFFFAOYSA-N 0 0 326.324 2.125 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)no1 ZINC000096041849 218525603 /nfs/dbraw/zinc/52/56/03/218525603.db2.gz ACABVMNNRYXSSR-RCCFBDPRSA-N 0 0 346.431 2.018 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)Cc1cccs1 ZINC000096045374 218531681 /nfs/dbraw/zinc/53/16/81/218531681.db2.gz IGCWPMYBOZQFPR-OAHLLOKOSA-N 0 0 346.456 2.065 40 0 EEABRN CN(Cc1cccs1)C(=O)COCc1nc(-c2ccncc2)no1 ZINC000096182018 218644805 /nfs/dbraw/zinc/64/48/05/218644805.db2.gz VFCJKDWTXGWJSO-UHFFFAOYSA-N 0 0 344.396 2.368 40 0 EEABRN O=C(CC1CC1)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 ZINC000096215169 218689313 /nfs/dbraw/zinc/68/93/13/218689313.db2.gz FJJKQJDWPINQKY-HNNXBMFYSA-N 0 0 342.399 2.382 40 0 EEABRN CCC(CC)C(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238212 218710919 /nfs/dbraw/zinc/71/09/19/218710919.db2.gz KXLKKYTWSHUGSS-GOSISDBHSA-N 0 0 349.500 2.434 40 0 EEABRN CS[C@@H](CO)[C@H](C)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000096417306 218779346 /nfs/dbraw/zinc/77/93/46/218779346.db2.gz AWDYGEMHVKRDDP-FZMZJTMJSA-N 0 0 329.429 2.316 40 0 EEABRN COC[C@H](C)n1c(C)cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c1C ZINC000096461281 533009275 /nfs/dbraw/zinc/00/92/75/533009275.db2.gz HMSKDLNALLBQSN-DUVNUKRYSA-N 0 0 349.475 2.081 40 0 EEABRN CC(C)(C)CCS(=O)(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000096428668 218801380 /nfs/dbraw/zinc/80/13/80/218801380.db2.gz KZVHEGGFUZJRNP-UHFFFAOYSA-N 0 0 344.521 2.477 40 0 EEABRN Cc1cc([C@H](C)NC(=O)NC[C@@](C)(O)c2cnn(C)c2)cc(C)c1F ZINC000096440893 218822117 /nfs/dbraw/zinc/82/21/17/218822117.db2.gz DAZGSAKRQGUKHX-SCLBCKFNSA-N 0 0 348.422 2.444 40 0 EEABRN CCc1noc(CN(C)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000096451239 218834066 /nfs/dbraw/zinc/83/40/66/218834066.db2.gz FSKWNCIZNWNVDR-UHFFFAOYSA-N 0 0 338.367 2.463 40 0 EEABRN O=C(NCCCc1ccc(O)cc1)N1CCCN(CC(F)F)CC1 ZINC000096487632 218865785 /nfs/dbraw/zinc/86/57/85/218865785.db2.gz QYKOEJLAJUZKFG-UHFFFAOYSA-N 0 0 341.402 2.307 40 0 EEABRN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000004944582 210336540 /nfs/dbraw/zinc/33/65/40/210336540.db2.gz DTKFMTOKVNIPJV-GFCCVEGCSA-N 0 0 345.424 2.462 40 0 EEABRN CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000004944498 210336626 /nfs/dbraw/zinc/33/66/26/210336626.db2.gz BEWWSXMDYYHMQY-LLVKDONJSA-N 0 0 331.397 2.072 40 0 EEABRN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)cc1 ZINC000004944534 210335266 /nfs/dbraw/zinc/33/52/66/210335266.db2.gz YWHYSQYKAZYXLB-LBPRGKRZSA-N 0 0 345.424 2.375 40 0 EEABRN COc1ccccc1NC(=S)N1CCC(NC(=O)C2CC2)CC1 ZINC000004857600 210303066 /nfs/dbraw/zinc/30/30/66/210303066.db2.gz NMQDDIPWNWNZBL-UHFFFAOYSA-N 0 0 333.457 2.383 40 0 EEABRN C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000153896139 224173066 /nfs/dbraw/zinc/17/30/66/224173066.db2.gz OGXAPHTWWDLOTC-ZVZYQTTQSA-N 0 0 340.423 2.454 40 0 EEABRN Cn1cc(N2CCC[C@H](NC(=O)CCc3cc(F)ccc3F)C2)cn1 ZINC000154195961 224217037 /nfs/dbraw/zinc/21/70/37/224217037.db2.gz DFIZKFZWBAKOQD-HNNXBMFYSA-N 0 0 348.397 2.416 40 0 EEABRN COC[C@@H]1Cn2cncc2CN(C(=O)c2ccc3ncccc3c2)C1 ZINC000096217425 285312495 /nfs/dbraw/zinc/31/24/95/285312495.db2.gz GPOZDKAMAWYVEH-AWEZNQCLSA-N 0 0 336.395 2.350 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000270867106 256181918 /nfs/dbraw/zinc/18/19/18/256181918.db2.gz VNIGKGBXWCMRIF-INIZCTEOSA-N 0 0 338.411 2.346 40 0 EEABRN C[C@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000274183875 256361951 /nfs/dbraw/zinc/36/19/51/256361951.db2.gz PGWKTAWUSGUCRF-IUODEOHRSA-N 0 0 327.421 2.355 40 0 EEABRN C[C@H](NC(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21)c1ccccc1 ZINC000408574568 257895973 /nfs/dbraw/zinc/89/59/73/257895973.db2.gz VFZZXRXDDKDRQO-ZDUSSCGKSA-N 0 0 349.390 2.187 40 0 EEABRN CCCNC(=O)c1nc([C@@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306140404 257923947 /nfs/dbraw/zinc/92/39/47/257923947.db2.gz USSQELOCERNOAP-AWEZNQCLSA-N 0 0 343.431 2.293 40 0 EEABRN O=c1c2cnc(N3CCOCC3)[nH]c-2cn1-c1ccc(Cl)cc1 ZINC000057355740 132200034 /nfs/dbraw/zinc/20/00/34/132200034.db2.gz FMBQFSNGVTUOPB-UHFFFAOYSA-N 0 0 330.775 2.127 40 0 EEABRN O=C(c1cnn2c1OCCC2)N1CCN(c2ccccc2Cl)CC1 ZINC000085555302 132820843 /nfs/dbraw/zinc/82/08/43/132820843.db2.gz HJZUZDRWYCLCSI-UHFFFAOYSA-N 0 0 346.818 2.281 40 0 EEABRN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000159146531 225156263 /nfs/dbraw/zinc/15/62/63/225156263.db2.gz YAAZTFHTLBPYEV-BXUZGUMPSA-N 0 0 349.406 2.348 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(C)n2ccnc2n1 ZINC000257264015 279169963 /nfs/dbraw/zinc/16/99/63/279169963.db2.gz LSLXSHJFQAIPKZ-INIZCTEOSA-N 0 0 338.415 2.296 40 0 EEABRN CCN(CCS(C)(=O)=O)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000096483870 279211779 /nfs/dbraw/zinc/21/17/79/279211779.db2.gz DLPZOWAUCPAJBZ-CYBMUJFWSA-N 0 0 337.445 2.473 40 0 EEABRN CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000032639817 280035154 /nfs/dbraw/zinc/03/51/54/280035154.db2.gz MZPXDLGJKZZAGI-NEPJUHHUSA-N 0 0 330.862 2.435 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)C[C@H]1CCCCO1 ZINC000257317827 289028419 /nfs/dbraw/zinc/02/84/19/289028419.db2.gz VLIFBPOPUGEGFF-UKRRQHHQSA-N 0 0 348.447 2.124 40 0 EEABRN Cc1nnc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000078989099 302824147 /nfs/dbraw/zinc/82/41/47/302824147.db2.gz ZUOCLQGGXLVKSG-ONGXEEELSA-N 0 0 325.365 2.382 40 0 EEABRN Cc1noc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000096500940 302848247 /nfs/dbraw/zinc/84/82/47/302848247.db2.gz YPZHSFXIQBHOOG-CYBMUJFWSA-N 0 0 340.305 2.070 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000097099584 323320088 /nfs/dbraw/zinc/32/00/88/323320088.db2.gz ABFCYXZNYCSPFC-AWEZNQCLSA-N 0 0 341.415 2.300 40 0 EEABRN Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccnc2-n2cccn2)c1 ZINC000097095961 323320402 /nfs/dbraw/zinc/32/04/02/323320402.db2.gz KPCVBMAYWZRYMN-UHFFFAOYSA-N 0 0 349.394 2.253 40 0 EEABRN Cc1noc([C@@H]2COCCN2Cc2nc(C(F)(F)F)cs2)n1 ZINC000097096371 323320553 /nfs/dbraw/zinc/32/05/53/323320553.db2.gz RSPGDMXPGLFNPA-QMMMGPOBSA-N 0 0 334.323 2.427 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2 ZINC000165238392 323334840 /nfs/dbraw/zinc/33/48/40/323334840.db2.gz QGYFATOFJDDODT-ZWKOTPCHSA-N 0 0 344.455 2.115 40 0 EEABRN CNS(=O)(=O)CCC[S@@](=O)Cc1cc(Cl)ccc1Cl ZINC000195579397 323515279 /nfs/dbraw/zinc/51/52/79/323515279.db2.gz FUICBOYELFMIIJ-GOSISDBHSA-N 0 0 344.285 2.181 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NO[C@@H]3CCCCO3)C2)cc1 ZINC000060333010 462541821 /nfs/dbraw/zinc/54/18/21/462541821.db2.gz AKBKMTYOQJHNAS-IAGOWNOFSA-N 0 0 346.427 2.422 40 0 EEABRN Cc1nccn1CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000085436380 462547183 /nfs/dbraw/zinc/54/71/83/462547183.db2.gz IRZKAJOWUWYPNH-UHFFFAOYSA-N 0 0 337.420 2.432 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)N[C@@H](C)c1ccccc1)CS2 ZINC000085473633 462549904 /nfs/dbraw/zinc/54/99/04/462549904.db2.gz CJDUZCSLDUNZQJ-GXTWGEPZSA-N 0 0 329.425 2.151 40 0 EEABRN O=C(c1cccc(F)c1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000085473331 462550307 /nfs/dbraw/zinc/55/03/07/462550307.db2.gz NCICFRJBKJHSNK-INIZCTEOSA-N 0 0 338.448 2.106 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 ZINC000085475670 462551330 /nfs/dbraw/zinc/55/13/30/462551330.db2.gz DJFKWJDUMCCCQJ-GOEBONIOSA-N 0 0 330.363 2.200 40 0 EEABRN CC(C)COc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000086185352 462567050 /nfs/dbraw/zinc/56/70/50/462567050.db2.gz HBLBQRPWWDHGBZ-UHFFFAOYSA-N 0 0 342.325 2.142 40 0 EEABRN CC(C)C(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 ZINC000000801407 462573415 /nfs/dbraw/zinc/57/34/15/462573415.db2.gz ZLOPAZLTWWYLHK-UHFFFAOYSA-N 0 0 328.463 2.237 40 0 EEABRN C[C@H]1CCc2c(sc3nnn(CC(=O)NC4CCCC4)c(=O)c32)C1 ZINC000001331954 462579079 /nfs/dbraw/zinc/57/90/79/462579079.db2.gz KGVAPJXGBUDORL-JTQLQIEISA-N 0 0 346.456 2.037 40 0 EEABRN COc1cccc([C@H]([NH3+])[C@@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667020 462585663 /nfs/dbraw/zinc/58/56/63/462585663.db2.gz NQCYRUZEDDWTHR-HOTGVXAUSA-N 0 0 333.384 2.454 40 0 EEABRN O=C(NCCCO)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000003117912 462611528 /nfs/dbraw/zinc/61/15/28/462611528.db2.gz LRPYWNYJEWHMIF-UHFFFAOYSA-N 0 0 325.579 2.084 40 0 EEABRN CCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000113965409 462618442 /nfs/dbraw/zinc/61/84/42/462618442.db2.gz CVSRKIUITPBVLP-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN COc1ccc(S(=O)(=O)NCCOc2cccc(OC)c2)cc1 ZINC000045810506 462621421 /nfs/dbraw/zinc/62/14/21/462621421.db2.gz WIRULODTTPCPPT-UHFFFAOYSA-N 0 0 337.397 2.061 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000045826082 462622259 /nfs/dbraw/zinc/62/22/59/462622259.db2.gz LGKWEFHUVHMDQP-SNVBAGLBSA-N 0 0 340.351 2.270 40 0 EEABRN O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000074803149 462636621 /nfs/dbraw/zinc/63/66/21/462636621.db2.gz WRLXOGDCENVJJC-SNVBAGLBSA-N 0 0 343.210 2.252 40 0 EEABRN O=c1c2cnc(N3CCCC3)[nH]c-2cn1CCc1ccccc1F ZINC000046088085 462646526 /nfs/dbraw/zinc/64/65/26/462646526.db2.gz BUEKTJKZSYOTNN-UHFFFAOYSA-N 0 0 326.375 2.414 40 0 EEABRN CN(C)c1cccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@]32C)c1 ZINC000005612091 462663871 /nfs/dbraw/zinc/66/38/71/462663871.db2.gz MFXZNEBLSYHVNK-GXTWGEPZSA-N 0 0 342.511 2.146 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006324962 462683445 /nfs/dbraw/zinc/68/34/45/462683445.db2.gz GQZPHBRBKDDXDG-QWHCGFSZSA-N 0 0 342.461 2.155 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1F ZINC000075162011 462688845 /nfs/dbraw/zinc/68/88/45/462688845.db2.gz LCOMMYZWTJJKMD-UHFFFAOYSA-N 0 0 331.351 2.405 40 0 EEABRN Cc1ccc([C@H]2CCCN2Cc2nc(CS(C)(=O)=O)no2)s1 ZINC000075745152 462756224 /nfs/dbraw/zinc/75/62/24/462756224.db2.gz CDAYKBSCQTZXFN-LLVKDONJSA-N 0 0 341.458 2.321 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)CC1 ZINC000008041432 462764221 /nfs/dbraw/zinc/76/42/21/462764221.db2.gz XFGIRDDABJVDBM-OAHLLOKOSA-N 0 0 334.416 2.371 40 0 EEABRN Cc1cccc(-c2ccc3c(c2)C(=O)N2C[C@H](O)C[C@H]2C(=O)N3)c1C ZINC000008297186 462776862 /nfs/dbraw/zinc/77/68/62/462776862.db2.gz ITASWVXZFCSMLH-KDOFPFPSSA-N 0 0 336.391 2.498 40 0 biogenic,in-vitro EEABRN CC(C)Oc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008562929 462789558 /nfs/dbraw/zinc/78/95/58/462789558.db2.gz OVHJTTPUDDGGDP-UHFFFAOYSA-N 0 0 334.397 2.374 40 0 EEABRN CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2)CC1 ZINC000047533399 462796103 /nfs/dbraw/zinc/79/61/03/462796103.db2.gz ORQMFKBGNIVQCJ-UHFFFAOYSA-N 0 0 347.459 2.359 40 0 EEABRN CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010146583 462813069 /nfs/dbraw/zinc/81/30/69/462813069.db2.gz SCMWMMBJSBDVRK-KRWDZBQOSA-N 0 0 346.452 2.021 40 0 EEABRN COC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000048008815 462849307 /nfs/dbraw/zinc/84/93/07/462849307.db2.gz IQEAOQFQJFQNRM-UHFFFAOYSA-N 0 0 340.383 2.222 40 0 EEABRN CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529819 462853852 /nfs/dbraw/zinc/85/38/52/462853852.db2.gz VUNOVWVAONEUOQ-HOTGVXAUSA-N 0 0 349.394 2.307 40 0 biogenic,in-vitro EEABRN C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000076480375 462866003 /nfs/dbraw/zinc/86/60/03/462866003.db2.gz NPRAOIRRDCTTAD-GHMZBOCLSA-N 0 0 348.415 2.143 40 0 EEABRN Cc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)n1C ZINC000076623924 462886438 /nfs/dbraw/zinc/88/64/38/462886438.db2.gz GMUQEYBRQIRHFQ-UHFFFAOYSA-N 0 0 341.411 2.367 40 0 EEABRN O=C(CC1CCCC1)N[C@@H]1CCCc2nc(N3CCOCC3)ncc21 ZINC000013265697 462889596 /nfs/dbraw/zinc/88/95/96/462889596.db2.gz ILKNOBRGHUJUKC-MRXNPFEDSA-N 0 0 344.459 2.387 40 0 EEABRN C[C@H](C(=O)N1CCCS1(=O)=O)c1ccc(Br)s1 ZINC000076823025 462912933 /nfs/dbraw/zinc/91/29/33/462912933.db2.gz IYALGCQCIUGLBR-ZETCQYMHSA-N 0 0 338.248 2.176 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000076951685 462925196 /nfs/dbraw/zinc/92/51/96/462925196.db2.gz ZSZZLKGGTYAELQ-IOHUKMIWSA-N 0 0 330.494 2.133 40 0 EEABRN COc1ccccc1N1CC[C@@H](NC(=O)N(C)Cc2ccco2)C1=O ZINC000133607846 462950615 /nfs/dbraw/zinc/95/06/15/462950615.db2.gz YWLADEAFEKJEND-CQSZACIVSA-N 0 0 343.383 2.235 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=S)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000016243225 462972909 /nfs/dbraw/zinc/97/29/09/462972909.db2.gz FPTBIQWATQVRSL-ZOWXZIJZSA-N 0 0 333.457 2.193 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1 ZINC000016848161 462991595 /nfs/dbraw/zinc/99/15/95/462991595.db2.gz ZALCETCNFCVBDH-UHFFFAOYSA-N 0 0 348.424 2.311 40 0 EEABRN COCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)s1 ZINC000019288772 463016016 /nfs/dbraw/zinc/01/60/16/463016016.db2.gz CDLGDRDGAZIXFG-UHFFFAOYSA-N 0 0 347.375 2.476 40 0 EEABRN C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000077684700 463023298 /nfs/dbraw/zinc/02/32/98/463023298.db2.gz ZBAIHNKOJLMKQA-KGLIPLIRSA-N 0 0 329.400 2.035 40 0 EEABRN CC1(C)CCC[C@H]1NC(=O)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000095408900 463079036 /nfs/dbraw/zinc/07/90/36/463079036.db2.gz OQBWNXQTOWXPPC-DLBZAZTESA-N 0 0 346.475 2.333 40 0 EEABRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1cccc(Cn2cncn2)c1 ZINC000095449085 463087475 /nfs/dbraw/zinc/08/74/75/463087475.db2.gz BMLFFUXMITXBTP-UHFFFAOYSA-N 0 0 338.415 2.411 40 0 EEABRN CCn1nnc2c1[C@H](COCC1CC1)CN(Cc1cccnc1)C2 ZINC000096045557 463149314 /nfs/dbraw/zinc/14/93/14/463149314.db2.gz HPLZCXJRMRSJIU-INIZCTEOSA-N 0 0 327.432 2.219 40 0 EEABRN Fc1ccc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)cc1 ZINC000096052069 463155047 /nfs/dbraw/zinc/15/50/47/463155047.db2.gz ROCBYHMSAWGWIE-MJGOQNOKSA-N 0 0 345.418 2.330 40 0 EEABRN CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060310 463159824 /nfs/dbraw/zinc/15/98/24/463159824.db2.gz KRAMHZZTRRHJKY-INIZCTEOSA-N 0 0 329.448 2.163 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC000096063412 463163430 /nfs/dbraw/zinc/16/34/30/463163430.db2.gz LZSJEXDUEGHLCG-PBHICJAKSA-N 0 0 347.440 2.035 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nc(C)no3)C2)c(C)o1 ZINC000096064846 463163839 /nfs/dbraw/zinc/16/38/39/463163839.db2.gz IWFBOZPPRFNCLM-RHSMWYFYSA-N 0 0 331.372 2.161 40 0 EEABRN COc1cccc2cc(C(=O)N3CCO[C@H]4[C@@H](OC)CC[C@@H]43)oc21 ZINC000096065863 463164420 /nfs/dbraw/zinc/16/44/20/463164420.db2.gz CSQQXVMAEFVBPN-RVSPLBMKSA-N 0 0 331.368 2.460 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065715 463164875 /nfs/dbraw/zinc/16/48/75/463164875.db2.gz QFNZDQIJMNLTSC-ULQDDVLXSA-N 0 0 328.368 2.263 40 0 EEABRN C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)[O-])C1 ZINC000096069127 463165584 /nfs/dbraw/zinc/16/55/84/463165584.db2.gz YZGFGAYFSBTBRX-CVEARBPZSA-N 0 0 342.395 2.469 40 0 EEABRN CCc1nnc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)[nH]1 ZINC000157786175 463169167 /nfs/dbraw/zinc/16/91/67/463169167.db2.gz GKICJNHCPMZWKF-UHFFFAOYSA-N 0 0 347.850 2.369 40 0 EEABRN COC[C@H]1COCCC12CCN(C(=O)COC1CCCC1)CC2 ZINC000096106351 463174160 /nfs/dbraw/zinc/17/41/60/463174160.db2.gz YGGWLZDPCJGXAB-HNNXBMFYSA-N 0 0 325.449 2.237 40 0 EEABRN Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cn1 ZINC000096109392 463178915 /nfs/dbraw/zinc/17/89/15/463178915.db2.gz BJUWJSGNIYKWQX-QAPCUYQASA-N 0 0 326.400 2.136 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000079042111 463182512 /nfs/dbraw/zinc/18/25/12/463182512.db2.gz YEWAKJGSUQKSLC-CQSZACIVSA-N 0 0 349.456 2.076 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)COCc2nc(-c3ccncc3)no2)C1 ZINC000096182039 463194329 /nfs/dbraw/zinc/19/43/29/463194329.db2.gz FGFDJEFFTYSQRB-BETUJISGSA-N 0 0 330.388 2.153 40 0 EEABRN CCn1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)n1 ZINC000096181223 463194754 /nfs/dbraw/zinc/19/47/54/463194754.db2.gz CRTMGPVSTNLWAN-PBHICJAKSA-N 0 0 326.400 2.370 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)NCc3cccnc3)C2)cc1 ZINC000096192805 463201579 /nfs/dbraw/zinc/20/15/79/463201579.db2.gz BFGOISSCKOPFMR-SFHVURJKSA-N 0 0 325.368 2.290 40 0 EEABRN C[C@@]1(C(=O)NCCCn2cccn2)CC(c2ccccc2F)=NO1 ZINC000096192648 463201690 /nfs/dbraw/zinc/20/16/90/463201690.db2.gz OBMQTVBLQOJOQC-KRWDZBQOSA-N 0 0 330.363 2.112 40 0 EEABRN Cc1cc(C(=O)NCCC(=O)Nc2nc3ccccc3s2)n(C)n1 ZINC000096192455 463201882 /nfs/dbraw/zinc/20/18/82/463201882.db2.gz XOJSZYABSYEUGT-UHFFFAOYSA-N 0 0 343.412 2.097 40 0 EEABRN Cc1ccc(C(=O)N2CCn3cc(CNc4ccccn4)nc3C2)o1 ZINC000096197513 463202670 /nfs/dbraw/zinc/20/26/70/463202670.db2.gz QUDUSFQYXGOPQL-UHFFFAOYSA-N 0 0 337.383 2.448 40 0 EEABRN CCn1ncc2c1[C@H](COCC1CC1)N(Cc1cnn(C)c1)CC2 ZINC000096197822 463203399 /nfs/dbraw/zinc/20/33/99/463203399.db2.gz JPPLNXNOYLMWOM-KRWDZBQOSA-N 0 0 329.448 2.163 40 0 EEABRN c1ncn2c1CN(Cc1ccccn1)C[C@H](COc1cccnc1)C2 ZINC000096209284 463212560 /nfs/dbraw/zinc/21/25/60/463212560.db2.gz ATKYTYPIIKBRHY-INIZCTEOSA-N 0 0 335.411 2.384 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000028195522 463219096 /nfs/dbraw/zinc/21/90/96/463219096.db2.gz RAWKGSZNKHMCMU-UHFFFAOYSA-N 0 0 349.364 2.311 40 0 EEABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCc1nc(-c2ccccc2)no1 ZINC000028218066 463219509 /nfs/dbraw/zinc/21/95/09/463219509.db2.gz XRVSTZBEEWMAQO-KBPBESRZSA-N 0 0 325.368 2.454 40 0 EEABRN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(c1ncc(F)cn1)C2 ZINC000096224331 463219994 /nfs/dbraw/zinc/21/99/94/463219994.db2.gz ZROVBQGOALXUOX-GOSISDBHSA-N 0 0 341.390 2.030 40 0 EEABRN O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC000096226239 463221283 /nfs/dbraw/zinc/22/12/83/463221283.db2.gz RPYOZQHOIFBWHE-IEBWSBKVSA-N 0 0 330.428 2.063 40 0 EEABRN Cc1cccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2=O)n1 ZINC000096224716 463221514 /nfs/dbraw/zinc/22/15/14/463221514.db2.gz LCPKDCGQFDHFLO-IBGZPJMESA-N 0 0 337.427 2.199 40 0 EEABRN O=C(CC1CC1)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096227782 463222186 /nfs/dbraw/zinc/22/21/86/463222186.db2.gz CIXJBFHFTYZSSV-IFXJQAMLSA-N 0 0 342.395 2.393 40 0 EEABRN COc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC(C)C)[C@@H](C2)O3)cc1 ZINC000096252921 463228094 /nfs/dbraw/zinc/22/80/94/463228094.db2.gz XXJPJHFTRKSDTO-FGTMMUONSA-N 0 0 332.444 2.057 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CCc2ncnc(C3CC3)c2CC1 ZINC000096255140 463228436 /nfs/dbraw/zinc/22/84/36/463228436.db2.gz OPWSHKPQAZDESJ-UHFFFAOYSA-N 0 0 337.379 2.324 40 0 EEABRN O=C(c1ccsc1)N1CCCn2nnc(COCC3CC3)c2C1 ZINC000096258988 463229704 /nfs/dbraw/zinc/22/97/04/463229704.db2.gz PWELJXJPUMZSGR-UHFFFAOYSA-N 0 0 332.429 2.312 40 0 EEABRN COCCN(C)C(=O)c1cc2c(s1)CCN2C(=O)c1cccnc1 ZINC000096264530 463231510 /nfs/dbraw/zinc/23/15/10/463231510.db2.gz BPHYSGFYCFSZNF-UHFFFAOYSA-N 0 0 345.424 2.064 40 0 EEABRN O=C(CN1CCC[C@@H](C(=O)NC2CCCCC2)C1)Nc1ccncc1 ZINC000096403663 463238098 /nfs/dbraw/zinc/23/80/98/463238098.db2.gz TWCIQCAMMVNCLV-OAHLLOKOSA-N 0 0 344.459 2.181 40 0 EEABRN Cn1cc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cn1 ZINC000096403928 463238228 /nfs/dbraw/zinc/23/82/28/463238228.db2.gz YOQJFHYVQZYWHE-LBPRGKRZSA-N 0 0 328.401 2.032 40 0 EEABRN Cc1onc2c1c(C)nn(CN1CCC[C@H](C(F)(F)F)C1)c2=O ZINC000096403276 463238329 /nfs/dbraw/zinc/23/83/29/463238329.db2.gz YBSSBLXWKGWQJE-JTQLQIEISA-N 0 0 330.310 2.233 40 0 EEABRN CN(C[C@H]1CCCCO1)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000096404752 463239558 /nfs/dbraw/zinc/23/95/58/463239558.db2.gz RIPYPGDZYPLBLM-LLVKDONJSA-N 0 0 342.798 2.236 40 0 EEABRN CC[C@H](NC(=O)NCC[S@@](C)=O)c1ccccc1OC(F)F ZINC000096408764 463241851 /nfs/dbraw/zinc/24/18/51/463241851.db2.gz CEOJTSVJBSRVSV-SAHAZLINSA-N 0 0 334.388 2.417 40 0 EEABRN CS(=O)(=O)NCc1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000096410234 463242465 /nfs/dbraw/zinc/24/24/65/463242465.db2.gz RRTXRXXTJYRELU-UHFFFAOYSA-N 0 0 338.454 2.369 40 0 EEABRN CC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000096411278 463243824 /nfs/dbraw/zinc/24/38/24/463243824.db2.gz LHYAWCVLIQTINT-UHFFFAOYSA-N 0 0 334.235 2.138 40 0 EEABRN CCc1ccc([C@@H]2COCCN2Cc2cc(=O)n3ccsc3n2)o1 ZINC000096413010 463245096 /nfs/dbraw/zinc/24/50/96/463245096.db2.gz UWYNTQOBBNSJFY-AWEZNQCLSA-N 0 0 345.424 2.485 40 0 EEABRN Cc1csc(C2(NS(=O)(=O)Cc3ccon3)CCCC2)n1 ZINC000096428000 463258036 /nfs/dbraw/zinc/25/80/36/463258036.db2.gz OKPWASKCIQXXQV-UHFFFAOYSA-N 0 0 327.431 2.328 40 0 EEABRN CN(CC1CC1)S(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000096428071 463258506 /nfs/dbraw/zinc/25/85/06/463258506.db2.gz CTOCDEPYNNNSLI-UHFFFAOYSA-N 0 0 325.409 2.026 40 0 EEABRN CCOc1c(F)cccc1C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000096431017 463260217 /nfs/dbraw/zinc/26/02/17/463260217.db2.gz PJEIABJWKAWXHD-ZDUSSCGKSA-N 0 0 334.391 2.451 40 0 EEABRN Cc1noc2ncc(NC(=O)[C@@H](C)n3nnc(-c4ccccc4)n3)cc12 ZINC000096430834 463260521 /nfs/dbraw/zinc/26/05/21/463260521.db2.gz VCNORAHJDZTDGU-LLVKDONJSA-N 0 0 349.354 2.384 40 0 EEABRN CCc1ccc([C@H](COC)NC(=O)Nc2nnc3ccccn32)o1 ZINC000096434692 463262484 /nfs/dbraw/zinc/26/24/84/463262484.db2.gz PQEYXQITJZBREJ-LBPRGKRZSA-N 0 0 329.360 2.394 40 0 EEABRN O=C(CN(Cc1noc2c1CCCC2)C[C@H]1CCCO1)N1CCCC1 ZINC000096441688 463266599 /nfs/dbraw/zinc/26/65/99/463266599.db2.gz SMSQSCMKCVTFAA-OAHLLOKOSA-N 0 0 347.459 2.157 40 0 EEABRN Cc1ccc([C@@](C)(O)CNC(=O)NCCc2ccc3c(c2)CCO3)o1 ZINC000096440310 463266860 /nfs/dbraw/zinc/26/68/60/463266860.db2.gz GWKBLGIRNWQUEL-IBGZPJMESA-N 0 0 344.411 2.272 40 0 EEABRN CO[C@@H]1CCCC[C@H]1NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000096440361 463267321 /nfs/dbraw/zinc/26/73/21/463267321.db2.gz NPLWZLRXCCCXNF-LNPFQXMTSA-N 0 0 338.473 2.192 40 0 EEABRN CC[C@H]1COCCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443360 463268472 /nfs/dbraw/zinc/26/84/72/463268472.db2.gz DSDMMXDWACLYIX-ZDUSSCGKSA-N 0 0 333.457 2.066 40 0 EEABRN O=C(C[C@H]1CCCO1)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000096445584 463269838 /nfs/dbraw/zinc/26/98/38/463269838.db2.gz PXUOYWCFXKNABL-GOSISDBHSA-N 0 0 344.455 2.153 40 0 EEABRN CN(C)c1nc(CNC(=O)Nc2cccc([S@](C)=O)c2)cs1 ZINC000096446212 463271206 /nfs/dbraw/zinc/27/12/06/463271206.db2.gz COHJEKQUTUQCIZ-JOCHJYFZSA-N 0 0 338.458 2.268 40 0 EEABRN Cc1nsc(N2CCCN(C(=O)Nc3cnn(C(C)C)c3)CC2)n1 ZINC000096447254 463271286 /nfs/dbraw/zinc/27/12/86/463271286.db2.gz OGINSUBDRXKPKW-UHFFFAOYSA-N 0 0 349.464 2.368 40 0 EEABRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1n[nH]c2c1CCC2 ZINC000096451675 463272885 /nfs/dbraw/zinc/27/28/85/463272885.db2.gz LDFZMWMOFQTEHY-UHFFFAOYSA-N 0 0 344.381 2.293 40 0 EEABRN COC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000096451358 463272910 /nfs/dbraw/zinc/27/29/10/463272910.db2.gz VWIRDSSNHIGTTG-AWEZNQCLSA-N 0 0 342.233 2.256 40 0 EEABRN C[C@@H](CNC(=O)c1nccn1C)Oc1ccccc1Br ZINC000096452500 463273029 /nfs/dbraw/zinc/27/30/29/463273029.db2.gz STGWBUNTXLPJHK-JTQLQIEISA-N 0 0 338.205 2.380 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)c(Cl)cc1F ZINC000096472781 463279074 /nfs/dbraw/zinc/27/90/74/463279074.db2.gz XRXHGNDWIGFPHW-JTQLQIEISA-N 0 0 348.827 2.064 40 0 EEABRN Cc1csc(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)n1 ZINC000096482947 463281214 /nfs/dbraw/zinc/28/12/14/463281214.db2.gz OYKHHQATKMWWRN-UHFFFAOYSA-N 0 0 344.484 2.380 40 0 EEABRN O=C(CCc1ccncc1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000096485815 463284165 /nfs/dbraw/zinc/28/41/65/463284165.db2.gz LNQIUAAUZUWLJM-SFHVURJKSA-N 0 0 337.423 2.322 40 0 EEABRN C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000096490460 463287104 /nfs/dbraw/zinc/28/71/04/463287104.db2.gz FZIWIWLRVZTRAB-SOHPYSCWSA-N 0 0 344.864 2.238 40 0 EEABRN C[C@@H](CN(C)C(=O)NCc1nnc2ccccn21)c1nccs1 ZINC000096502044 463292602 /nfs/dbraw/zinc/29/26/02/463292602.db2.gz MACPHOCJLZRWCZ-NSHDSACASA-N 0 0 330.417 2.131 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000096503247 463293151 /nfs/dbraw/zinc/29/31/51/463293151.db2.gz LRJJYBFKSUIGBU-LLVKDONJSA-N 0 0 333.440 2.118 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1cccc(F)c1)S(C)(=O)=O ZINC000096521545 463294273 /nfs/dbraw/zinc/29/42/73/463294273.db2.gz MLVOHIHDOPNVBR-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN COC(=O)[C@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)c1ccccc1F ZINC000097372500 463355738 /nfs/dbraw/zinc/35/57/38/463355738.db2.gz MBSIYRBJMPGVFV-RFAUZJTJSA-N 0 0 333.363 2.300 40 0 EEABRN Cc1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)ccc1F ZINC000143675395 463370658 /nfs/dbraw/zinc/37/06/58/463370658.db2.gz OXGBGPJXKSODHK-GFCCVEGCSA-N 0 0 337.372 2.252 40 0 EEABRN CCc1noc([C@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)n1 ZINC000041123607 463468835 /nfs/dbraw/zinc/46/88/35/463468835.db2.gz IIHGDZYUJDZQBS-AWEZNQCLSA-N 0 0 331.420 2.242 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)S1 ZINC000081737782 463486626 /nfs/dbraw/zinc/48/66/26/463486626.db2.gz ZARHNMQGYFYZJJ-ZDUSSCGKSA-N 0 0 332.473 2.002 40 0 EEABRN O=c1n(Cc2ccccc2F)nc2n1-c1ccccc1C1=NCCCN21 ZINC000072342125 463509494 /nfs/dbraw/zinc/50/94/94/463509494.db2.gz MNXGOTXELUCUTA-UHFFFAOYSA-N 0 0 349.369 2.192 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NC1CC1 ZINC000107947978 463586603 /nfs/dbraw/zinc/58/66/03/463586603.db2.gz VASNSHBYKDBQNN-HNNXBMFYSA-N 0 0 334.416 2.375 40 0 EEABRN Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1C ZINC000126062360 463602533 /nfs/dbraw/zinc/60/25/33/463602533.db2.gz NOUMYBMGJMSLCL-BHYGNILZSA-N 0 0 345.443 2.183 40 0 EEABRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1nccn2ccnc12 ZINC000073457664 463613618 /nfs/dbraw/zinc/61/36/18/463613618.db2.gz LRYVTKOKEYFSTI-UHFFFAOYSA-N 0 0 340.358 2.304 40 0 EEABRN CCC(CC)NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC000073850076 463661644 /nfs/dbraw/zinc/66/16/44/463661644.db2.gz WZFMXCOSKDKIRE-ZDUSSCGKSA-N 0 0 341.477 2.285 40 0 EEABRN O=c1[nH]nc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2c1ccco1 ZINC000112000082 463687876 /nfs/dbraw/zinc/68/78/76/463687876.db2.gz YUPQNOPMZMDNQV-AWEZNQCLSA-N 0 0 333.311 2.123 40 0 EEABRN CC[C@H](C(=O)Nc1ccn(C)n1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000044874717 463697431 /nfs/dbraw/zinc/69/74/31/463697431.db2.gz CAQLZANWHBZASS-GFCCVEGCSA-N 0 0 345.794 2.317 40 0 EEABRN Cc1ccccc1NC=c1sc2nc(-c3ccncc3)nn2c1=O ZINC000256055903 463755604 /nfs/dbraw/zinc/75/56/04/463755604.db2.gz YOHJRUBKIPLRAT-UVTDQMKNSA-N 0 0 335.392 2.090 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3cc(F)ccc3OC)CCO2)n1 ZINC000257228211 463756508 /nfs/dbraw/zinc/75/65/08/463756508.db2.gz FSVCOKUULXBUMV-MRXNPFEDSA-N 0 0 345.374 2.485 40 0 EEABRN CCCn1cc(CN2CCC[C@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280810 463760034 /nfs/dbraw/zinc/76/00/34/463760034.db2.gz OMNFOUQXGWPMEB-SFHVURJKSA-N 0 0 342.447 2.056 40 0 EEABRN CO[C@@H]1CCCOC12CC[NH+](Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257285290 463762061 /nfs/dbraw/zinc/76/20/61/463762061.db2.gz PGLVIEFFWVJHGU-QGZVFWFLSA-N 0 0 349.427 2.310 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 ZINC000257288367 463763644 /nfs/dbraw/zinc/76/36/44/463763644.db2.gz PTYIHPPDEDMVIN-CQSZACIVSA-N 0 0 343.431 2.358 40 0 EEABRN CC(=O)N1CCN(C(=O)COc2ccccc2)C[C@@H]1c1ccccc1 ZINC000257299140 463768551 /nfs/dbraw/zinc/76/85/51/463768551.db2.gz ROWRPUZJOYSJFK-LJQANCHMSA-N 0 0 338.407 2.497 40 0 EEABRN CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(C)=O)CCO3)c2)s1 ZINC000257305023 463770126 /nfs/dbraw/zinc/77/01/26/463770126.db2.gz SOCYULVAPSBEIT-CQSZACIVSA-N 0 0 347.444 2.467 40 0 EEABRN CC(=O)N1CCN(C(=O)c2scnc2C)C[C@@H]1c1ccccc1 ZINC000257309165 463771871 /nfs/dbraw/zinc/77/18/71/463771871.db2.gz TZUZZEAMXJLHQU-OAHLLOKOSA-N 0 0 329.425 2.497 40 0 EEABRN Cc1cnc(C2(C)CCN(C(=O)CCN3CCOCC3)CC2)s1 ZINC000257308847 463772073 /nfs/dbraw/zinc/77/20/73/463772073.db2.gz TYJOQYYWZFASBY-UHFFFAOYSA-N 0 0 337.489 2.054 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)nc(C)n1 ZINC000257314368 463773496 /nfs/dbraw/zinc/77/34/96/463773496.db2.gz UWQSMPQYZOUUIP-OAHLLOKOSA-N 0 0 329.404 2.338 40 0 EEABRN O=C(CCc1cccnc1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257313619 463773846 /nfs/dbraw/zinc/77/38/46/463773846.db2.gz UTJNOKSXPMAHEQ-MRXNPFEDSA-N 0 0 326.400 2.362 40 0 EEABRN CCC(=O)N1CCO[C@@H](c2cncc(-c3cccc(OC)c3)n2)C1 ZINC000257325304 463778313 /nfs/dbraw/zinc/77/83/13/463778313.db2.gz WSINPAIBZGEYDA-QGZVFWFLSA-N 0 0 327.384 2.462 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 ZINC000257336461 463783192 /nfs/dbraw/zinc/78/31/92/463783192.db2.gz YONHITPWVYTRPI-CYBMUJFWSA-N 0 0 337.420 2.436 40 0 EEABRN CN(C(=O)C1(c2ccccc2F)CC1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257341625 463785421 /nfs/dbraw/zinc/78/54/21/463785421.db2.gz ZLDMCIZIHRQWTA-BRWVUGGUSA-N 0 0 343.402 2.277 40 0 EEABRN CCn1cc(C2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)cn1 ZINC000186027069 463924004 /nfs/dbraw/zinc/92/40/04/463924004.db2.gz HKTYHCVWGGSDJL-UHFFFAOYSA-N 0 0 334.445 2.054 40 0 EEABRN CN(CCC(=O)NC1CC1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000195531243 464071850 /nfs/dbraw/zinc/07/18/50/464071850.db2.gz BVBMBWKVFWNXRJ-PXNSSMCTSA-N 0 0 326.440 2.408 40 0 EEABRN Cn1nncc1CN1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000195548190 464074808 /nfs/dbraw/zinc/07/48/08/464074808.db2.gz KJDVHWUITKIROJ-UHFFFAOYSA-N 0 0 346.485 2.322 40 0 EEABRN Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000195553407 464076337 /nfs/dbraw/zinc/07/63/37/464076337.db2.gz HMVWJSJFSONRSP-UHFFFAOYSA-N 0 0 330.407 2.262 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570857 464078326 /nfs/dbraw/zinc/07/83/26/464078326.db2.gz LGLXJHLNSRGHSE-SMDDNHRTSA-N 0 0 349.374 2.500 40 0 EEABRN O=C(C[C@H]1CCOc2ccccc21)N1CCN(Cc2ccon2)CC1 ZINC000172799375 464144545 /nfs/dbraw/zinc/14/45/45/464144545.db2.gz IERBZBLGVGMKJI-OAHLLOKOSA-N 0 0 341.411 2.275 40 0 EEABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 ZINC000223706891 464146161 /nfs/dbraw/zinc/14/61/61/464146161.db2.gz KDXJKDPUOFQUDM-HZPDHXFCSA-N 0 0 344.440 2.254 40 0 EEABRN COc1ccc(CCC(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)cc1 ZINC000225424135 464158261 /nfs/dbraw/zinc/15/82/61/464158261.db2.gz USUKKKDWWURMOQ-QGZVFWFLSA-N 0 0 341.411 2.406 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)C2)nn1 ZINC000225429844 464159364 /nfs/dbraw/zinc/15/93/64/464159364.db2.gz MFVSCWDFDTYRRC-CRAIPNDOSA-N 0 0 339.395 2.079 40 0 EEABRN Cc1noc(C)c1CO[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000225485712 464165537 /nfs/dbraw/zinc/16/55/37/464165537.db2.gz FLULPMQFSNKFLO-HNNXBMFYSA-N 0 0 343.431 2.477 40 0 EEABRN O=C(OCc1ccccc1)N1CCN(Cc2ccc(CO)o2)CC1 ZINC000225533403 464169755 /nfs/dbraw/zinc/16/97/55/464169755.db2.gz XAYDQRXTBBAZMY-UHFFFAOYSA-N 0 0 330.384 2.226 40 0 EEABRN CCO[C@@H]1C[C@@](O)(CNC(=O)Cc2c(F)cccc2F)C1(C)C ZINC000225613070 464175457 /nfs/dbraw/zinc/17/54/57/464175457.db2.gz NPKGDTAHCLNJSG-RHSMWYFYSA-N 0 0 327.371 2.190 40 0 EEABRN CO[C@](C)(C(=O)Nc1ccc(OCCN2CCOCC2)cc1)C1CC1 ZINC000225643678 464178306 /nfs/dbraw/zinc/17/83/06/464178306.db2.gz ANHRFWYXVVKYPJ-IBGZPJMESA-N 0 0 348.443 2.151 40 0 EEABRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1(S(C)(=O)=O)CCC1 ZINC000241262043 464451690 /nfs/dbraw/zinc/45/16/90/464451690.db2.gz LAWOIUGKOFLVAJ-HOCLYGCPSA-N 0 0 335.469 2.433 40 0 EEABRN Cn1ccc([C@@H](NC(=O)C2=COCCO2)c2ccc(Cl)cc2)n1 ZINC000241446950 464453540 /nfs/dbraw/zinc/45/35/40/464453540.db2.gz NPWSLENTMSRQCH-HNNXBMFYSA-N 0 0 333.775 2.167 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)[C@H](O)c1ccccc1 ZINC000245053450 464466593 /nfs/dbraw/zinc/46/65/93/464466593.db2.gz OVFRKIULQHPLDQ-BZUAXINKSA-N 0 0 327.384 2.016 40 0 EEABRN O=C(CSc1ccc(F)cc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 ZINC000245093470 464466746 /nfs/dbraw/zinc/46/67/46/464466746.db2.gz ROUWVEAAEVDDLJ-VHDGCEQUSA-N 0 0 325.405 2.371 40 0 EEABRN COc1ccc(-c2nnc(NC(=O)N[C@H]3C[C@@H](O)C3(C)C)s2)cc1 ZINC000189398279 464493151 /nfs/dbraw/zinc/49/31/51/464493151.db2.gz DDZQMOUTNFKMCB-NWDGAFQWSA-N 0 0 348.428 2.495 40 0 EEABRN CCOC(=O)[C@@H](C)N(C(=O)c1ccc(Br)cn1)C1CC1 ZINC000189396130 464494328 /nfs/dbraw/zinc/49/43/28/464494328.db2.gz LEVQIMGEIQMCBF-SECBINFHSA-N 0 0 341.205 2.400 40 0 EEABRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCSC[C@@H]1C(N)=O ZINC000281963126 464651363 /nfs/dbraw/zinc/65/13/63/464651363.db2.gz NGIISGOEDVRYSS-CQSZACIVSA-N 0 0 348.468 2.105 40 0 EEABRN Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1nccs1)C2 ZINC000247510607 464688235 /nfs/dbraw/zinc/68/82/35/464688235.db2.gz IHJMKLWLHMOAQB-LBPRGKRZSA-N 0 0 335.404 2.347 40 0 EEABRN COCC(=O)NCC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247851102 464710267 /nfs/dbraw/zinc/71/02/67/464710267.db2.gz RMIAXDZPPRHELC-GOSISDBHSA-N 0 0 346.471 2.047 40 0 EEABRN COc1ccc(CC(=O)N2CC3(C2)OCC[C@@H]3COCC2CC2)cc1 ZINC000247942275 464716721 /nfs/dbraw/zinc/71/67/21/464716721.db2.gz XTAXANVQYUDCSM-QGZVFWFLSA-N 0 0 345.439 2.282 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@@H]3COCc2ccncc2)no1 ZINC000247949655 464716763 /nfs/dbraw/zinc/71/67/63/464716763.db2.gz XTQDVMRJERVYQK-MRXNPFEDSA-N 0 0 329.400 2.186 40 0 EEABRN c1ccc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)nc1 ZINC000247980014 464719036 /nfs/dbraw/zinc/71/90/36/464719036.db2.gz XHCSPIAECGQUJX-SFHVURJKSA-N 0 0 325.412 2.427 40 0 EEABRN O=C1c2ccccc2C(=O)N1CC[S@@](=O)CCc1cccs1 ZINC000190793917 464721333 /nfs/dbraw/zinc/72/13/33/464721333.db2.gz PETLSFDTIKYRRU-QFIPXVFZSA-N 0 0 333.434 2.336 40 0 EEABRN CN1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1ccccn1)C2 ZINC000248082748 464727858 /nfs/dbraw/zinc/72/78/58/464727858.db2.gz ASIFRAFNVDZTOA-MRXNPFEDSA-N 0 0 329.444 2.045 40 0 EEABRN Cc1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128557 464732363 /nfs/dbraw/zinc/73/23/63/464732363.db2.gz XQUNVHVWEAFETH-RHSMWYFYSA-N 0 0 332.425 2.093 40 0 EEABRN CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000190950425 464750115 /nfs/dbraw/zinc/75/01/15/464750115.db2.gz KDHYMTCWZCVWRA-KSSFIOAISA-N 0 0 343.431 2.275 40 0 EEABRN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H](c2ccsc2)O1 ZINC000248745016 464795444 /nfs/dbraw/zinc/79/54/44/464795444.db2.gz FIWURYZEYXMBLC-KOLCDFICSA-N 0 0 347.366 2.259 40 0 EEABRN C[C@H](CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)Cc1cccs1 ZINC000192188464 464881998 /nfs/dbraw/zinc/88/19/98/464881998.db2.gz GXISMQSDGCPVLR-STQMWFEESA-N 0 0 344.502 2.003 40 0 EEABRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000177047291 464916146 /nfs/dbraw/zinc/91/61/46/464916146.db2.gz JPPWOEIQQKHYNV-BBRMVZONSA-N 0 0 348.447 2.356 40 0 EEABRN O=C(NCCCCc1ccc(F)c(F)c1)N1CC[C@](F)(CO)C1 ZINC000252479428 464960242 /nfs/dbraw/zinc/96/02/42/464960242.db2.gz BEXKSQHSSQFUMP-MRXNPFEDSA-N 0 0 330.350 2.403 40 0 EEABRN Cc1nccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000252507643 464973970 /nfs/dbraw/zinc/97/39/70/464973970.db2.gz WQKPGKMTCMMRIM-ZFVVBOAOSA-N 0 0 332.448 2.256 40 0 EEABRN Cn1cc(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)c2ccccc21 ZINC000253401113 465002095 /nfs/dbraw/zinc/00/20/95/465002095.db2.gz MMQYXPFKMCTHMW-ZTFGCOKTSA-N 0 0 328.412 2.174 40 0 EEABRN CCOC(=O)CN1CCCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000253418108 465005479 /nfs/dbraw/zinc/00/54/79/465005479.db2.gz OCKFWJJOFZRYET-UHFFFAOYSA-N 0 0 331.338 2.176 40 0 EEABRN CC[C@@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)C(=O)OC ZINC000192837352 465008231 /nfs/dbraw/zinc/00/82/31/465008231.db2.gz ICPBSHSOWMAKTE-MRXNPFEDSA-N 0 0 326.387 2.470 40 0 EEABRN O=C(CN1CCCC1=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000253426601 465011556 /nfs/dbraw/zinc/01/15/56/465011556.db2.gz ULAJASGDKYEWSU-HNNXBMFYSA-N 0 0 326.318 2.129 40 0 EEABRN CCc1nnc2ccc(N[C@@H]3CCN(c4ncccc4Cl)C3)nn21 ZINC000253430594 465013513 /nfs/dbraw/zinc/01/35/13/465013513.db2.gz KCLXSCLLXFORAH-LLVKDONJSA-N 0 0 343.822 2.426 40 0 EEABRN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCc2sccc2[C@@H]1C ZINC000331840979 466268925 /nfs/dbraw/zinc/26/89/25/466268925.db2.gz DODBIEXJAAXDAM-QMMMGPOBSA-N 0 0 340.426 2.056 40 0 EEABRN O=C(C1CC1)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306127137 466488444 /nfs/dbraw/zinc/48/84/44/466488444.db2.gz FPIFZGCUIKTBCD-FQEVSTJZSA-N 0 0 334.423 2.377 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 ZINC000306127956 466489311 /nfs/dbraw/zinc/48/93/11/466489311.db2.gz GLRRCZNSRXUSFK-AWEZNQCLSA-N 0 0 334.416 2.285 40 0 EEABRN CCc1nc(N)c2c(n1)C[C@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000408712783 466682052 /nfs/dbraw/zinc/68/20/52/466682052.db2.gz QPCZZYLXTYUOFC-NSHDSACASA-N 0 0 327.384 2.551 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)s1 ZINC000390829578 467412735 /nfs/dbraw/zinc/41/27/35/467412735.db2.gz FFZFBGIPLZKHED-GFCCVEGCSA-N 0 0 325.459 2.358 40 0 EEABRN Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCCC2)C1 ZINC000575402603 468140540 /nfs/dbraw/zinc/14/05/40/468140540.db2.gz CKLAZPMMQOBOAH-HNNXBMFYSA-N 0 0 342.399 2.040 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@@H]4C)C3)C2)n1 ZINC000575405662 468141759 /nfs/dbraw/zinc/14/17/59/468141759.db2.gz TZYXYUWWOQKFDK-IAOVAPTHSA-N 0 0 330.428 2.323 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000575406212 468142895 /nfs/dbraw/zinc/14/28/95/468142895.db2.gz VZIBIKGPFZPFEU-OLMNPRSZSA-N 0 0 325.412 2.467 40 0 EEABRN COc1nc(CNC(=O)C2(c3cccs3)CCCC2)nc(OC)n1 ZINC000575603124 468144331 /nfs/dbraw/zinc/14/43/31/468144331.db2.gz AKCVIPSGXJZCRO-UHFFFAOYSA-N 0 0 348.428 2.079 40 0 EEABRN CC(C)Oc1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1 ZINC000575608277 468146438 /nfs/dbraw/zinc/14/64/38/468146438.db2.gz MPVYSEUVLOZNNA-UHFFFAOYSA-N 0 0 341.411 2.338 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Oc2cc(C)nc(C)n2)C1 ZINC000575606524 468147070 /nfs/dbraw/zinc/14/70/70/468147070.db2.gz WOFURTHFSAXHRS-HNNXBMFYSA-N 0 0 343.431 2.127 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1 ZINC000585097392 468965160 /nfs/dbraw/zinc/96/51/60/468965160.db2.gz KSBRGJPYMGIESL-HNNXBMFYSA-N 0 0 330.388 2.021 40 0 EEABRN O=C(NC1CCC1)C1=NOC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000585101225 468969391 /nfs/dbraw/zinc/96/93/91/468969391.db2.gz OXYHZEDGJFLIGT-UHFFFAOYSA-N 0 0 347.440 2.168 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccsc1)C2 ZINC000585103031 468970636 /nfs/dbraw/zinc/97/06/36/468970636.db2.gz OKZBGFQBKBWDGL-PBHICJAKSA-N 0 0 336.457 2.143 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585105076 468971948 /nfs/dbraw/zinc/97/19/48/468971948.db2.gz OUTUGVQPTBQNJH-AWEZNQCLSA-N 0 0 327.409 2.256 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)no1 ZINC000585104095 468972121 /nfs/dbraw/zinc/97/21/21/468972121.db2.gz FXKYIFSAPIJNKO-MRXNPFEDSA-N 0 0 338.473 2.486 40 0 EEABRN CN(C)C(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21 ZINC000585112209 468975320 /nfs/dbraw/zinc/97/53/20/468975320.db2.gz LGXNMPQFHMPPHR-ZDUSSCGKSA-N 0 0 333.461 2.163 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc(C)c1F ZINC000585140357 468988677 /nfs/dbraw/zinc/98/86/77/468988677.db2.gz CAFXGWQKSHPKKI-NSHDSACASA-N 0 0 331.347 2.273 40 0 EEABRN O=C(CN(Cc1ccc(F)cc1)CC(F)(F)F)NC[C@@H]1CCCO1 ZINC000585142571 468992261 /nfs/dbraw/zinc/99/22/61/468992261.db2.gz ZCHAXSCAGPOYEX-AWEZNQCLSA-N 0 0 348.340 2.485 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(Cc3ccncc3C)C2)c1 ZINC000585269350 468997903 /nfs/dbraw/zinc/99/79/03/468997903.db2.gz QBRPFRRNUSULBY-HXUWFJFHSA-N 0 0 342.439 2.341 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585277010 469002191 /nfs/dbraw/zinc/00/21/91/469002191.db2.gz LBZIOUUOGJCXKQ-IBGZPJMESA-N 0 0 343.427 2.429 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@@](O)(COc3ccc(C)cc3)C2)c1C ZINC000585277936 469003724 /nfs/dbraw/zinc/00/37/24/469003724.db2.gz XZOJVANGGAIXPT-IBGZPJMESA-N 0 0 343.427 2.245 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CC[C@H](Cc3cccc(C)c3)[C@H](O)C2)n1 ZINC000585279773 469006528 /nfs/dbraw/zinc/00/65/28/469006528.db2.gz ORCRVYGDZSOAAF-RTBURBONSA-N 0 0 341.455 2.260 40 0 EEABRN O=C(CSC1CCCC1)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390826659 485667519 /nfs/dbraw/zinc/66/75/19/485667519.db2.gz BAMYFSNXGSFMDM-LBPRGKRZSA-N 0 0 325.409 2.271 40 0 EEABRN Cc1cc(OC2CCN(C(=O)Cc3cccnc3)CC2)nc(C)n1 ZINC000390827177 485668238 /nfs/dbraw/zinc/66/82/38/485668238.db2.gz USDSMOPQXYIGHT-UHFFFAOYSA-N 0 0 326.400 2.101 40 0 EEABRN C[C@H](Cc1ccsc1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000175089642 534156457 /nfs/dbraw/zinc/15/64/57/534156457.db2.gz NCWLRADGUJGNMB-GFCCVEGCSA-N 0 0 349.456 2.002 40 0 EEABRN C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 ZINC000154543176 534275399 /nfs/dbraw/zinc/27/53/99/534275399.db2.gz LTXXOLAQJWAMKI-LLVKDONJSA-N 0 0 338.198 2.046 40 0 EEABRN COC(=O)c1ccccc1-c1ccc(CN2CCN(C(C)=O)CC2)o1 ZINC000132087388 534286039 /nfs/dbraw/zinc/28/60/39/534286039.db2.gz QLDGZSJCAJFUSN-UHFFFAOYSA-N 0 0 342.395 2.397 40 0 EEABRN O=C(CCOCC(F)(F)C(F)(F)F)N1CCOC2(CCC2)C1 ZINC000189899041 534434828 /nfs/dbraw/zinc/43/48/28/534434828.db2.gz YZTOFSPMZSZCHK-UHFFFAOYSA-N 0 0 331.281 2.372 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096474867 524224189 /nfs/dbraw/zinc/22/41/89/524224189.db2.gz VDTJDFPEBJLXRD-WDEREUQCSA-N 0 0 348.415 2.191 40 0 EEABRN CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]3CC3(C)C)c2)CC1 ZINC000187163015 526630891 /nfs/dbraw/zinc/63/08/91/526630891.db2.gz OXMPBMBIYWWMAG-QGZVFWFLSA-N 0 0 329.444 2.335 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)cc1 ZINC000182503331 528125229 /nfs/dbraw/zinc/12/52/29/528125229.db2.gz LVZIXHAVXUUZEE-LBPRGKRZSA-N 0 0 325.352 2.354 40 0 EEABRN CCOc1cccc(N2CCN(C(=O)c3c(C)ccn3C)CC2)n1 ZINC000189743656 528660031 /nfs/dbraw/zinc/66/00/31/528660031.db2.gz OPSULQUUVVWCQP-UHFFFAOYSA-N 0 0 328.416 2.090 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000131380249 528732872 /nfs/dbraw/zinc/73/28/72/528732872.db2.gz PNLDPPACDPQOIY-GFCCVEGCSA-N 0 0 342.399 2.189 40 0 EEABRN CCc1nnsc1C(=O)N1CCN(C)[C@H](c2ccccc2OC)C1 ZINC000257243430 535865418 /nfs/dbraw/zinc/86/54/18/535865418.db2.gz IGXUBGLIPMVYND-AWEZNQCLSA-N 0 0 346.456 2.238 40 0 EEABRN COC(=O)Cc1ccccc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000225806086 536369483 /nfs/dbraw/zinc/36/94/83/536369483.db2.gz DAQWADJLTCJDNT-UHFFFAOYSA-N 0 0 327.336 2.407 40 0 EEABRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCO[C@H](c2ncon2)C1 ZINC000935329911 1208133718 /nfs/dbraw/zinc/13/37/18/1208133718.db2.gz CMDFWBWVOXUPAQ-INIZCTEOSA-N 0 0 338.367 2.202 40 0 EEABRN C[C@](O)(CNC(=O)c1cncc(Br)c1)c1ccco1 ZINC000173674288 231002258 /nfs/dbraw/zinc/00/22/58/231002258.db2.gz CDERBVLVAVXFML-ZDUSSCGKSA-N 0 0 325.162 2.075 40 0 EEABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000055549399 214329394 /nfs/dbraw/zinc/32/93/94/214329394.db2.gz ZPWSSCXPIVYCIA-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN Cc1nccc(CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 ZINC000055837869 214344214 /nfs/dbraw/zinc/34/42/14/214344214.db2.gz LVYHHLBVJMROHE-CZUORRHYSA-N 0 0 338.411 2.011 40 0 EEABRN CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000056290867 214368096 /nfs/dbraw/zinc/36/80/96/214368096.db2.gz VVJZXJCWSQKZFZ-UHFFFAOYSA-N 0 0 341.386 2.466 40 0 EEABRN CCc1c(NC(=O)[C@H]2CCC(=O)N2)cnn1-c1cccc(Cl)c1 ZINC000192128763 529497805 /nfs/dbraw/zinc/49/78/05/529497805.db2.gz ZPFBGGKYSWTWCJ-GFCCVEGCSA-N 0 0 332.791 2.305 40 0 EEABRN CCc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000008085514 529661830 /nfs/dbraw/zinc/66/18/30/529661830.db2.gz LBTALZZGTVDTLE-UHFFFAOYSA-N 0 0 326.462 2.177 40 0 EEABRN COc1ccccc1[C@@H](CNC(=O)NCc1cc(C)on1)N(C)C ZINC000060058923 214628381 /nfs/dbraw/zinc/62/83/81/214628381.db2.gz XPEWWSIYCIJVLH-OAHLLOKOSA-N 0 0 332.404 2.094 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2cc(C)no2)CC1 ZINC000100744018 219105282 /nfs/dbraw/zinc/10/52/82/219105282.db2.gz LYUAWPYOZGCWHE-OKILXGFUSA-N 0 0 346.431 2.420 40 0 EEABRN C[C@H](c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1 ZINC000004093557 210119534 /nfs/dbraw/zinc/11/95/34/210119534.db2.gz AHCPUFSDLGPMEN-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN Cc1ccc(=O)n(CC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000044394328 213622522 /nfs/dbraw/zinc/62/25/22/213622522.db2.gz RTLSDPYQPBVKGV-UHFFFAOYSA-N 0 0 325.412 2.033 40 0 EEABRN COc1ccccc1CNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000044246722 213614505 /nfs/dbraw/zinc/61/45/05/213614505.db2.gz VGIKDAXOFHLSDN-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN Cc1cccc(CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 ZINC000044003021 213606098 /nfs/dbraw/zinc/60/60/98/213606098.db2.gz FCQTWAJBXXNCEG-UHFFFAOYSA-N 0 0 342.361 2.455 40 0 EEABRN Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCCN3c1ccc(Cl)cc1 ZINC000096306480 282608661 /nfs/dbraw/zinc/60/86/61/282608661.db2.gz ULWKQHIAKKLLEV-UHFFFAOYSA-N 0 0 345.790 2.009 40 0 EEABRN Cn1nc(C(=O)NCc2ccccc2F)cc1NC(=O)c1ccco1 ZINC000040745821 213381929 /nfs/dbraw/zinc/38/19/29/213381929.db2.gz LANJULGAEQGZRP-UHFFFAOYSA-N 0 0 342.330 2.335 40 0 EEABRN Cc1cc(NC(=O)CCN2CCO[C@@H](Cc3ccccc3)C2)no1 ZINC000181526542 234217724 /nfs/dbraw/zinc/21/77/24/234217724.db2.gz REXCUDFFDOEQHQ-INIZCTEOSA-N 0 0 329.400 2.255 40 0 EEABRN Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000040486295 213316638 /nfs/dbraw/zinc/31/66/38/213316638.db2.gz LTLYHPKHKJWYST-LLVKDONJSA-N 0 0 346.408 2.392 40 0 EEABRN O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040386567 213295606 /nfs/dbraw/zinc/29/56/06/213295606.db2.gz ANOXNNOJDNITFP-SSDOTTSWSA-N 0 0 340.170 2.182 40 0 EEABRN O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040288298 213290226 /nfs/dbraw/zinc/29/02/26/213290226.db2.gz UNMRMOZTUPIFKV-VWYCJHECSA-N 0 0 339.317 2.367 40 0 EEABRN NC(=O)c1nc(-c2cccs2)nc2c1[nH]c(=O)n2C1CCCCC1 ZINC000012114161 283394623 /nfs/dbraw/zinc/39/46/23/283394623.db2.gz RUTSJMIIRPSVJD-UHFFFAOYSA-N 0 0 343.412 2.452 40 0 EEABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(N)=S)CC1 ZINC000072230115 216071068 /nfs/dbraw/zinc/07/10/68/216071068.db2.gz LVMCBIVGMDJFEO-UHFFFAOYSA-N 0 0 340.880 2.300 40 0 EEABRN CCn1ccc(NC(=O)c2cc(Sc3ncccn3)ccn2)n1 ZINC000072243457 216082637 /nfs/dbraw/zinc/08/26/37/216082637.db2.gz IURDRIVAEJSSEP-UHFFFAOYSA-N 0 0 326.385 2.492 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nccnc2-n2ccnc2C(C)C)C1 ZINC000072350618 216161534 /nfs/dbraw/zinc/16/15/34/216161534.db2.gz ZZZBCXSPBAIOKJ-AWEZNQCLSA-N 0 0 343.431 2.138 40 0 EEABRN c1cnc(N2CCC(c3ccnc(Nc4cncnc4)n3)CC2)nc1 ZINC000072354970 216164103 /nfs/dbraw/zinc/16/41/03/216164103.db2.gz HSPNSPMOQLQDRW-UHFFFAOYSA-N 0 0 334.387 2.184 40 0 EEABRN COc1ccc(Oc2cncc([C@H]3CCCN3S(C)(=O)=O)n2)cc1 ZINC000072362001 216168879 /nfs/dbraw/zinc/16/88/79/216168879.db2.gz IZXIIDZHPIUILO-OAHLLOKOSA-N 0 0 349.412 2.374 40 0 EEABRN CS(=O)(=O)N1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363572 216170311 /nfs/dbraw/zinc/17/03/11/216170311.db2.gz URJAFYVRLAXBEY-UHFFFAOYSA-N 0 0 338.458 2.421 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072368713 216175960 /nfs/dbraw/zinc/17/59/60/216175960.db2.gz CAGGPZIQCUGYHQ-NSHDSACASA-N 0 0 338.458 2.421 40 0 EEABRN CCc1nccn1-c1cccc([C@@H]2CCCN2CC(=O)N(C)C)n1 ZINC000072379198 216181150 /nfs/dbraw/zinc/18/11/50/216181150.db2.gz HACBVMMOVMEHPG-HNNXBMFYSA-N 0 0 327.432 2.055 40 0 EEABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000072378761 216181493 /nfs/dbraw/zinc/18/14/93/216181493.db2.gz GCOYUUOVTKKIGN-INIZCTEOSA-N 0 0 334.383 2.343 40 0 EEABRN Cc1nccc(N2CC[C@H](c3cc(Nc4cnccn4)nc(C)n3)C2)n1 ZINC000072382770 216182440 /nfs/dbraw/zinc/18/24/40/216182440.db2.gz CLZQDKDEPDRXGV-AWEZNQCLSA-N 0 0 348.414 2.411 40 0 EEABRN CC(=O)N1CC[C@H]1c1cc(NCCc2nc(C)cs2)nc(C)n1 ZINC000072387095 216184977 /nfs/dbraw/zinc/18/49/77/216184977.db2.gz UBFRAQOHYPUZTP-AWEZNQCLSA-N 0 0 331.445 2.498 40 0 EEABRN CCn1ccc(NC(=O)[C@H]2CCN(C(=O)c3cccc(OC)c3)C2)n1 ZINC000072392172 216190690 /nfs/dbraw/zinc/19/06/90/216190690.db2.gz YLBLIXIFZLUOBA-AWEZNQCLSA-N 0 0 342.399 2.012 40 0 EEABRN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)CC(C)C)C2 ZINC000072390832 216191021 /nfs/dbraw/zinc/19/10/21/216191021.db2.gz ZXFWINCINFFWON-INIZCTEOSA-N 0 0 330.432 2.091 40 0 EEABRN Cn1c2ccccc2nc(CCC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O ZINC000072405908 216196888 /nfs/dbraw/zinc/19/68/88/216196888.db2.gz GQBMFRYQSKTZOK-QLFBSQMISA-N 0 0 337.423 2.195 40 0 EEABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1cnn(C)c1 ZINC000028242692 212609771 /nfs/dbraw/zinc/60/97/71/212609771.db2.gz DDNKTOLULMVBFF-UHFFFAOYSA-N 0 0 337.427 2.472 40 0 EEABRN CC(=O)NC(C)(C)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000073364189 216381110 /nfs/dbraw/zinc/38/11/10/216381110.db2.gz SZXTZEODCBSPPR-UHFFFAOYSA-N 0 0 334.750 2.472 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN(c3ncccc3Cl)CC2)n1 ZINC000192678640 239832672 /nfs/dbraw/zinc/83/26/72/239832672.db2.gz OTRFUMULOBVZEB-GFCCVEGCSA-N 0 0 333.823 2.422 40 0 EEABRN COc1cc(C(=O)N2CCN(C[C@@H]3CCC=CO3)CC2)ccc1C ZINC000193775862 240304558 /nfs/dbraw/zinc/30/45/58/240304558.db2.gz KKODOCUACFGOKE-KRWDZBQOSA-N 0 0 330.428 2.454 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000193845830 240332131 /nfs/dbraw/zinc/33/21/31/240332131.db2.gz UHSSPACZLRPOQQ-GFCCVEGCSA-N 0 0 326.462 2.227 40 0 EEABRN CN(C)c1noc(C2CCN(C(=O)c3ccc(Cl)cn3)CC2)n1 ZINC000193962600 240379558 /nfs/dbraw/zinc/37/95/58/240379558.db2.gz ZOOUJZYBWFRTEB-UHFFFAOYSA-N 0 0 335.795 2.204 40 0 EEABRN O=C(C1CCC1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211104781 241079264 /nfs/dbraw/zinc/07/92/64/241079264.db2.gz DLUMBKZIUZEMRI-OAHLLOKOSA-N 0 0 325.405 2.391 40 0 EEABRN CCOC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218006651 241289543 /nfs/dbraw/zinc/28/95/43/241289543.db2.gz IEPPZSRCQOOUGP-YPMHNXCESA-N 0 0 333.862 2.195 40 0 EEABRN O=C(Cn1ncccc1=O)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219120156 241364750 /nfs/dbraw/zinc/36/47/50/241364750.db2.gz GREUOJNSYCGQBA-OAHLLOKOSA-N 0 0 347.415 2.089 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000219482734 241390233 /nfs/dbraw/zinc/39/02/33/241390233.db2.gz OXNZLZJDOOTPRR-ZDUSSCGKSA-N 0 0 348.424 2.488 40 0 EEABRN Cn1cc2c(n1)CCC[C@@H]2C(=O)N(CCC1CCCCC1)CC(N)=O ZINC000225605502 241949577 /nfs/dbraw/zinc/94/95/77/241949577.db2.gz NHQAHQFZWKFZLP-HNNXBMFYSA-N 0 0 346.475 2.124 40 0 EEABRN COc1ccc(NC(=S)NCCN2CCCC2=O)cc1Cl ZINC000225811837 242047773 /nfs/dbraw/zinc/04/77/73/242047773.db2.gz UMQCGEPNRNTMNK-UHFFFAOYSA-N 0 0 327.837 2.257 40 0 EEABRN CC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949805 242079622 /nfs/dbraw/zinc/07/96/22/242079622.db2.gz RWYPPEYYSHVIME-ZWNOBZJWSA-N 0 0 332.853 2.235 40 0 EEABRN CS[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000230085209 242228962 /nfs/dbraw/zinc/22/89/62/242228962.db2.gz APRZVRDIVKSINQ-HBNTYKKESA-N 0 0 338.395 2.188 40 0 EEABRN CCOc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[C@@H](OC)[C@@H]3O)c(C)c2c1 ZINC000257202627 244123719 /nfs/dbraw/zinc/12/37/19/244123719.db2.gz AMRIKMWAXWLGON-JFIYKMOQSA-N 0 0 346.427 2.485 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215122 244164518 /nfs/dbraw/zinc/16/45/18/244164518.db2.gz COUGSPDYMMNSDF-SFHVURJKSA-N 0 0 340.427 2.199 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2csc(C)n2)n1 ZINC000257230871 244213989 /nfs/dbraw/zinc/21/39/89/244213989.db2.gz GEGPGEREOMCKJU-HNNXBMFYSA-N 0 0 331.445 2.215 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2ccsc2)n1 ZINC000257219426 244177694 /nfs/dbraw/zinc/17/76/94/244177694.db2.gz DGSXOZWMFZWBFE-MRXNPFEDSA-N 0 0 344.440 2.080 40 0 EEABRN Cn1nccc1C(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257240213 244241145 /nfs/dbraw/zinc/24/11/45/244241145.db2.gz HSOSXZNUMMCPFV-HKUYNNGSSA-N 0 0 341.411 2.011 40 0 EEABRN O=C(c1nccc2ccccc21)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257253309 244276285 /nfs/dbraw/zinc/27/62/85/244276285.db2.gz JYJPMQDLCVYUSV-QZTJIDSGSA-N 0 0 334.375 2.499 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCn2ccc(C)n2)nc(C)n1 ZINC000257262317 244350444 /nfs/dbraw/zinc/35/04/44/244350444.db2.gz LKXQFXMVRLVRGV-HNNXBMFYSA-N 0 0 328.420 2.085 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCCn2ccnc2)nc(C)n1 ZINC000257262141 244351445 /nfs/dbraw/zinc/35/14/45/244351445.db2.gz LKGOWLDHBMURPG-OAHLLOKOSA-N 0 0 328.420 2.167 40 0 EEABRN CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1 ZINC000257263865 244356300 /nfs/dbraw/zinc/35/63/00/244356300.db2.gz LRUHQANOBIMAFZ-HNNXBMFYSA-N 0 0 335.429 2.345 40 0 EEABRN Cn1ccc(C(=O)N2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)n1 ZINC000257264612 244357617 /nfs/dbraw/zinc/35/76/17/244357617.db2.gz LVGASCFKKFAFJI-FVQHAEBGSA-N 0 0 325.412 2.488 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000257274683 244388162 /nfs/dbraw/zinc/38/81/62/244388162.db2.gz NMBYLOIRDBBNPO-MRXNPFEDSA-N 0 0 333.457 2.469 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1 ZINC000257276550 244395590 /nfs/dbraw/zinc/39/55/90/244395590.db2.gz NUFZJNHIQLUICN-ZDUSSCGKSA-N 0 0 331.441 2.492 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279751 244405227 /nfs/dbraw/zinc/40/52/27/244405227.db2.gz OIAJEORIQRUZSM-SFHVURJKSA-N 0 0 347.378 2.147 40 0 EEABRN CNc1cc(CCNC(=O)C2CCCC2)nc(-c2ccccn2)n1 ZINC000019592139 212049537 /nfs/dbraw/zinc/04/95/37/212049537.db2.gz KKOUGROCSRWIOK-UHFFFAOYSA-N 0 0 325.416 2.429 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019582845 212047470 /nfs/dbraw/zinc/04/74/70/212047470.db2.gz KINFNLGDTBHQFJ-FQEVSTJZSA-N 0 0 335.407 2.351 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H](C)NS(=O)(=O)Cc1cccc(F)c1 ZINC000019577659 212045420 /nfs/dbraw/zinc/04/54/20/212045420.db2.gz KFYOXUFBVCMRKJ-LLVKDONJSA-N 0 0 325.409 2.357 40 0 EEABRN CCc1nc2cc(NC(=O)[C@@H](C)N3CCOCC3)ccc2n1CC ZINC000019523198 212036207 /nfs/dbraw/zinc/03/62/07/212036207.db2.gz XHOIQHRNYSIYSR-CYBMUJFWSA-N 0 0 330.432 2.278 40 0 EEABRN C[C@]1(C(=O)NCCn2ccnc2)CC(c2ccccc2Cl)=NO1 ZINC000019460867 212029768 /nfs/dbraw/zinc/02/97/68/212029768.db2.gz YIMUNMCDXSOHIF-MRXNPFEDSA-N 0 0 332.791 2.236 40 0 EEABRN Cc1nnc(C2CCN(CC(=O)NCCc3ccccc3)CC2)s1 ZINC000049365696 214002436 /nfs/dbraw/zinc/00/24/36/214002436.db2.gz IXRARJUVEPHNSB-UHFFFAOYSA-N 0 0 344.484 2.385 40 0 EEABRN O=C(CNc1ccccc1S(=O)(=O)C(F)F)NCc1ccco1 ZINC000078551193 217073978 /nfs/dbraw/zinc/07/39/78/217073978.db2.gz GGHVWYIROBGYGE-UHFFFAOYSA-N 0 0 344.339 2.004 40 0 EEABRN COc1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2cc(C)no2)cc1F ZINC000078556194 217076324 /nfs/dbraw/zinc/07/63/24/217076324.db2.gz MSVQSMGLWUWWHY-WYVULQQZSA-N 0 0 340.376 2.407 40 0 EEABRN CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000017070920 211951318 /nfs/dbraw/zinc/95/13/18/211951318.db2.gz CURCHMDPEXQLLC-UHFFFAOYSA-N 0 0 337.445 2.431 40 0 EEABRN CCN(C(=O)COc1cc(C)on1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078915256 217147530 /nfs/dbraw/zinc/14/75/30/217147530.db2.gz SVOOEQHQSBDPRR-OAHLLOKOSA-N 0 0 343.383 2.016 40 0 EEABRN CC(C)[C@@H](NC(=O)N1CCO[C@H](CO)C1)c1ccccc1Cl ZINC000078973771 217161855 /nfs/dbraw/zinc/16/18/55/217161855.db2.gz JBINZZYMZIXIJA-SWLSCSKDSA-N 0 0 326.824 2.440 40 0 EEABRN CC(C)n1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000079040131 217179999 /nfs/dbraw/zinc/17/99/99/217179999.db2.gz ZGMCABVYHFQADH-QGZVFWFLSA-N 0 0 340.427 2.084 40 0 EEABRN Cc1noc([C@@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C(C)C)n1 ZINC000079049974 217181756 /nfs/dbraw/zinc/18/17/56/217181756.db2.gz KCRQZKRZHWAFOR-RISCZKNCSA-N 0 0 330.388 2.010 40 0 EEABRN Cc1nc(C(=O)OCc2cnn(C)c2)nn1-c1ccccc1Cl ZINC000079317184 217208898 /nfs/dbraw/zinc/20/88/98/217208898.db2.gz IAMVDEZRJVQOBD-UHFFFAOYSA-N 0 0 331.763 2.320 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079414007 217222010 /nfs/dbraw/zinc/22/20/10/217222010.db2.gz GTPOMGCPALDCQA-INIZCTEOSA-N 0 0 332.400 2.337 40 0 EEABRN COC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000080500963 217308663 /nfs/dbraw/zinc/30/86/63/217308663.db2.gz IDATZDRSSPEWAD-SECBINFHSA-N 0 0 345.168 2.159 40 0 EEABRN Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC000081317889 217382071 /nfs/dbraw/zinc/38/20/71/217382071.db2.gz ADDVOYIAHXFUOV-SECBINFHSA-N 0 0 342.330 2.260 40 0 EEABRN O=C(CNC(=O)c1cccs1)N1CCc2c(F)ccc(F)c2C1 ZINC000084283951 217592705 /nfs/dbraw/zinc/59/27/05/217592705.db2.gz TZBIAGPADJQQRI-UHFFFAOYSA-N 0 0 336.363 2.341 40 0 EEABRN CCn1cc(CN2CCc3nc4ccsc4c(=O)n3CC2)c(C)n1 ZINC000012325257 211348921 /nfs/dbraw/zinc/34/89/21/211348921.db2.gz JKJVJNYVIMBRNH-UHFFFAOYSA-N 0 0 343.456 2.041 40 0 EEABRN CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(OC)c1 ZINC000012276052 211333620 /nfs/dbraw/zinc/33/36/20/211333620.db2.gz UBTVVPIVYFOHGL-ZENOOKHLSA-N 0 0 325.430 2.277 40 0 EEABRN CCC[C@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200078 211318330 /nfs/dbraw/zinc/31/83/30/211318330.db2.gz RFURRMRDCSYDKW-QWRGUYRKSA-N 0 0 337.445 2.424 40 0 EEABRN O=C(Nc1ccccc1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000090609166 217943929 /nfs/dbraw/zinc/94/39/29/217943929.db2.gz RPYQRBIJFXBIMM-MRXNPFEDSA-N 0 0 335.473 2.358 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCC3)n2)o1 ZINC000012182919 211312444 /nfs/dbraw/zinc/31/24/44/211312444.db2.gz SGZDSCBUABXNTR-LLVKDONJSA-N 0 0 330.388 2.014 40 0 EEABRN CCn1c2cc(C)sc2c2cnn(CC(=O)NC(C)C)c(=O)c21 ZINC000012142709 211305332 /nfs/dbraw/zinc/30/53/32/211305332.db2.gz LFPFVAUMEJYYNY-UHFFFAOYSA-N 0 0 332.429 2.266 40 0 EEABRN COc1ccccc1CC(=O)N[C@H](C)c1nnc(-c2ccncc2)[nH]1 ZINC000012114830 211294161 /nfs/dbraw/zinc/29/41/61/211294161.db2.gz LICBLIYHMKTUNP-GFCCVEGCSA-N 0 0 337.383 2.295 40 0 EEABRN COc1ccccc1COC1CCN(C(=O)c2cnns2)CC1 ZINC000091818665 218070701 /nfs/dbraw/zinc/07/07/01/218070701.db2.gz HNEFAMGJZQIHIC-UHFFFAOYSA-N 0 0 333.413 2.368 40 0 EEABRN O=C(CNC(=O)C1(Cc2ccccc2)CCC1)NCc1ccncc1 ZINC000095411711 218349293 /nfs/dbraw/zinc/34/92/93/218349293.db2.gz QDODVVJOQLYVJH-UHFFFAOYSA-N 0 0 337.423 2.227 40 0 EEABRN CN(CCn1cnnc1)C(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000095411305 218348137 /nfs/dbraw/zinc/34/81/37/218348137.db2.gz YFPIJYCVRBGDJC-DLBZAZTESA-N 0 0 343.431 2.310 40 0 EEABRN Cc1cc(C)n(-c2ccccc2CNC(=O)CN2CCCCC2=O)n1 ZINC000095415646 218353904 /nfs/dbraw/zinc/35/39/04/218353904.db2.gz OKGYVKMIAAUBEE-UHFFFAOYSA-N 0 0 340.427 2.118 40 0 EEABRN C[C@H]1CCO[C@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000095426797 218368995 /nfs/dbraw/zinc/36/89/95/218368995.db2.gz RBBSSCQXSQUGAY-GXFFZTMASA-N 0 0 331.338 2.444 40 0 EEABRN O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCC1Cc2ccccc2C1 ZINC000095440858 218385706 /nfs/dbraw/zinc/38/57/06/218385706.db2.gz MFURSISOPINSPG-SFHVURJKSA-N 0 0 341.455 2.244 40 0 EEABRN O=C(c1cccs1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1 ZINC000096064702 218560288 /nfs/dbraw/zinc/56/02/88/218560288.db2.gz NICFHCHUKDDFHN-GJZGRUSLSA-N 0 0 348.468 2.380 40 0 EEABRN O=C(c1cnccn1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096109340 218604472 /nfs/dbraw/zinc/60/44/72/218604472.db2.gz RADGTSZYWOMZOE-BEFAXECRSA-N 0 0 338.411 2.331 40 0 EEABRN O=C(NCCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1 ZINC000096146819 218625545 /nfs/dbraw/zinc/62/55/45/218625545.db2.gz OXCVWEUUFGNRMS-UHFFFAOYSA-N 0 0 341.436 2.415 40 0 EEABRN O=C(Nc1ccccc1)NC1(C(=O)N2CCC(O)CC2)CCCCC1 ZINC000006674273 210676249 /nfs/dbraw/zinc/67/62/49/210676249.db2.gz CHLYANWLIAJGTM-UHFFFAOYSA-N 0 0 345.443 2.494 40 0 EEABRN CCC(CC)C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC000096237863 218710800 /nfs/dbraw/zinc/71/08/00/218710800.db2.gz JMAYNPLJBNNZPU-FQEVSTJZSA-N 0 0 343.471 2.372 40 0 EEABRN COc1ccc(N2C[C@@]3(CCN(c4ccc(C)nn4)C3)CC2=O)cc1 ZINC000096238973 218711604 /nfs/dbraw/zinc/71/16/04/218711604.db2.gz BUKNXFVOULWVNG-IBGZPJMESA-N 0 0 338.411 2.427 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC[S@](=O)c2ccccc2)cc1C ZINC000096409029 218761508 /nfs/dbraw/zinc/76/15/08/218761508.db2.gz RUBGHYYRVQAENE-XMMPIXPASA-N 0 0 344.436 2.166 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000096414498 218771966 /nfs/dbraw/zinc/77/19/66/218771966.db2.gz XAXSKSWPFLVIID-ZWKOTPCHSA-N 0 0 344.455 2.153 40 0 EEABRN COc1cccc(-c2noc([C@H](C)NC(=O)[C@H](C)n3cccn3)n2)c1 ZINC000096432748 218808358 /nfs/dbraw/zinc/80/83/58/218808358.db2.gz VILVEKAVZBILNG-RYUDHWBXSA-N 0 0 341.371 2.380 40 0 EEABRN CSc1ccc(OCCN2CCN(Cc3nc(C)no3)CC2)cc1 ZINC000096441450 218823181 /nfs/dbraw/zinc/82/31/81/218823181.db2.gz SXUIQLLKWJUSPB-UHFFFAOYSA-N 0 0 348.472 2.297 40 0 EEABRN O=C(Cn1cc(C2CC2)nn1)N1CCN(CC2CC2)c2ccccc21 ZINC000096472696 218850271 /nfs/dbraw/zinc/85/02/71/218850271.db2.gz NMJPUYAILLGSFC-UHFFFAOYSA-N 0 0 337.427 2.419 40 0 EEABRN Cc1cccc([C@H](O)[C@@](Cl)(Br)S(C)(=O)=O)c1 ZINC000096519781 218881660 /nfs/dbraw/zinc/88/16/60/218881660.db2.gz HJGQJEFVTVSBBN-UWVGGRQHSA-N 0 0 327.627 2.361 40 0 EEABRN O=C1NC[C@H]2CN(CCCc3ccccc3Br)CCN12 ZINC000097371937 219016386 /nfs/dbraw/zinc/01/63/86/219016386.db2.gz GNSBBDKYOVTWIZ-ZDUSSCGKSA-N 0 0 338.249 2.091 40 0 EEABRN COc1cc[nH+]c(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1 ZINC000271231976 256222684 /nfs/dbraw/zinc/22/26/84/256222684.db2.gz YXQYMQHQBRXILP-UHFFFAOYSA-N 0 0 339.321 2.226 40 0 EEABRN COc1ccc(CNC(=O)NC2CCSCC2)c(OC)c1OC ZINC000299550165 257986131 /nfs/dbraw/zinc/98/61/31/257986131.db2.gz BMJJEAJICMOBQD-UHFFFAOYSA-N 0 0 340.445 2.407 40 0 EEABRN CS(=O)(=O)N[C@H]1CCCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000131418140 533414801 /nfs/dbraw/zinc/41/48/01/533414801.db2.gz GXYHFSNUFRJYRT-LBPRGKRZSA-N 0 0 339.848 2.406 40 0 EEABRN C[C@H](c1cccc(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000096495468 299635641 /nfs/dbraw/zinc/63/56/41/299635641.db2.gz YBMCPHLJEGHQDP-CZUORRHYSA-N 0 0 342.892 2.206 40 0 EEABRN CS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccc(F)c3)C2)C1 ZINC000096239559 286604371 /nfs/dbraw/zinc/60/43/71/286604371.db2.gz PMQJTTKHKJSFNG-CQSZACIVSA-N 0 0 348.390 2.323 40 0 EEABRN CC(C)Cn1cc(NC(=O)Nc2cccnc2-n2cncn2)cn1 ZINC000078536371 277517449 /nfs/dbraw/zinc/51/74/49/277517449.db2.gz FARXPLHXBROVJL-UHFFFAOYSA-N 0 0 326.364 2.159 40 0 EEABRN Ic1ncnc2c1ncn2[C@H]1CCCS1 ZINC000001687734 279475561 /nfs/dbraw/zinc/47/55/61/279475561.db2.gz HERRCYLCJRVSEA-ZCFIWIBFSA-N 0 0 332.170 2.457 40 0 EEABRN C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2NC1=O ZINC000071538664 280080841 /nfs/dbraw/zinc/08/08/41/280080841.db2.gz VMHSYXZFBZAFEU-SECBINFHSA-N 0 0 336.344 2.346 40 0 EEABRN Cc1nc2cc(-c3nccn3C)nn2c(N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000072338515 282048562 /nfs/dbraw/zinc/04/85/62/282048562.db2.gz GENMTYPDWDSXPS-VXGBXAGGSA-N 0 0 340.431 2.360 40 0 EEABRN COc1ccc(-c2nc(C3(OC)CCC3)no2)cc1S(C)(=O)=O ZINC000296966951 294115162 /nfs/dbraw/zinc/11/51/62/294115162.db2.gz RITPBFIVTOOJDQ-UHFFFAOYSA-N 0 0 338.385 2.174 40 0 EEABRN Cc1cccc2nc(C(=O)N3CCC[C@]4(C)NC(=O)CCC[C@H]34)cn21 ZINC000257239731 302069649 /nfs/dbraw/zinc/06/96/49/302069649.db2.gz HQONDWHMSQSFTR-KXBFYZLASA-N 0 0 340.427 2.306 40 0 EEABRN Cc1nscc1C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000333239608 312117214 /nfs/dbraw/zinc/11/72/14/312117214.db2.gz AQMLXYMGJWOBCC-TXEJJXNPSA-N 0 0 338.335 2.394 40 0 EEABRN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CCO1 ZINC000333962528 312220461 /nfs/dbraw/zinc/22/04/61/312220461.db2.gz NAODBINXKPWPJR-DYVFJYSZSA-N 0 0 328.416 2.277 40 0 EEABRN Cc1nnc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)n1C1CC1 ZINC000097095915 323320057 /nfs/dbraw/zinc/32/00/57/323320057.db2.gz IZCLXDVKLSBVNA-KRWDZBQOSA-N 0 0 340.427 2.395 40 0 EEABRN Cc1noc([C@H]2COCCN2C(=O)c2cccc(F)c2Cl)n1 ZINC000097098063 323320177 /nfs/dbraw/zinc/32/01/77/323320177.db2.gz AWXUOWGVYQHLRH-LLVKDONJSA-N 0 0 325.727 2.384 40 0 EEABRN CCc1nc(NC(=O)c2cc(N3CCOCC3)ccn2)sc1C ZINC000097104146 323321199 /nfs/dbraw/zinc/32/11/99/323321199.db2.gz PKLFMBQJZYNPML-UHFFFAOYSA-N 0 0 332.429 2.498 40 0 EEABRN CN(CC(C)(CO)CO)C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000097236676 323321621 /nfs/dbraw/zinc/32/16/21/323321621.db2.gz DXIRUUHTMUZZJC-UHFFFAOYSA-N 0 0 325.408 2.321 40 0 EEABRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCO1 ZINC000097375622 323322500 /nfs/dbraw/zinc/32/25/00/323322500.db2.gz GXWNJFXMKXMDGI-QGZVFWFLSA-N 0 0 332.425 2.339 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(N2CCCC2)nc1 ZINC000097379328 323322961 /nfs/dbraw/zinc/32/29/61/323322961.db2.gz NHAVRYHTRZAZBQ-KRWDZBQOSA-N 0 0 340.427 2.234 40 0 EEABRN COC(=O)c1ccccc1Cn1cnc(=O)c2cc(OC)c(F)cc21 ZINC000184913648 323429499 /nfs/dbraw/zinc/42/94/99/323429499.db2.gz XURHMDCDASBEFM-UHFFFAOYSA-N 0 0 342.326 2.379 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000191104163 323472308 /nfs/dbraw/zinc/47/23/08/323472308.db2.gz WMUTYQHOWYQFJY-NEPJUHHUSA-N 0 0 339.427 2.408 40 0 EEABRN CCN(C1CC1)S(=O)(=O)c1c(C)nn(CC[C@@H]2CCCO2)c1C ZINC000195576606 323515012 /nfs/dbraw/zinc/51/50/12/323515012.db2.gz KWQUBOGKKNLHIQ-HNNXBMFYSA-N 0 0 341.477 2.242 40 0 EEABRN CN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000195579952 323515284 /nfs/dbraw/zinc/51/52/84/323515284.db2.gz XGDOOIWTBFFXDA-LBPRGKRZSA-N 0 0 337.363 2.448 40 0 EEABRN C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000252487332 464964761 /nfs/dbraw/zinc/96/47/61/464964761.db2.gz VNNWVKPUVLPSAK-CUOATXAZSA-N 0 0 330.787 2.379 40 0 EEABRN Cn1ccnc1SCc1ccc(C(=O)NO[C@H]2CCCCO2)o1 ZINC000060333164 462541758 /nfs/dbraw/zinc/54/17/58/462541758.db2.gz VRGKIVOYTQBABU-ZDUSSCGKSA-N 0 0 337.401 2.493 40 0 EEABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)c(OC)c1 ZINC000000147305 462543559 /nfs/dbraw/zinc/54/35/59/462543559.db2.gz HZUIJYVBKCACQM-CSKARUKUSA-N 0 0 326.352 2.455 40 0 EEABRN Cc1ccc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)c1 ZINC000060379312 462545722 /nfs/dbraw/zinc/54/57/22/462545722.db2.gz OJJUXSMOLQIBCR-LJQANCHMSA-N 0 0 337.379 2.348 40 0 EEABRN O=C(Cc1ccccc1Cl)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085436770 462548187 /nfs/dbraw/zinc/54/81/87/462548187.db2.gz MMLQHEDYMHRIRJ-MRXNPFEDSA-N 0 0 348.830 2.353 40 0 EEABRN C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000000415905 462560637 /nfs/dbraw/zinc/56/06/37/462560637.db2.gz RLTIVWAIERDMNU-GFCCVEGCSA-N 0 0 337.358 2.457 40 0 EEABRN CNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000000420203 462561871 /nfs/dbraw/zinc/56/18/71/462561871.db2.gz ANCGVRIILSVFOJ-OAHLLOKOSA-N 0 0 345.468 2.322 40 0 EEABRN O=C(COc1ccc(Cl)cc1)OCCNC(=O)c1ccncc1 ZINC000002679807 462598977 /nfs/dbraw/zinc/59/89/77/462598977.db2.gz QQSHRJDFNHTHEB-UHFFFAOYSA-N 0 0 334.759 2.087 40 0 EEABRN CCOC(=O)[C@@](O)(C(=O)c1ccccc1)c1cc(O)cc(OC)c1 ZINC000003845389 462624853 /nfs/dbraw/zinc/62/48/53/462624853.db2.gz PODITFRWJUIUAU-SFHVURJKSA-N 0 0 330.336 2.034 40 0 EEABRN C[C@@H](CO)CS[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000074785419 462635309 /nfs/dbraw/zinc/63/53/09/462635309.db2.gz DQBGCQGVSOWQHU-WRWORJQWSA-N 0 0 336.226 2.476 40 0 EEABRN O=C(c1nnc2ccccc2n1)N1CCN(c2ccccc2F)CC1 ZINC000046088183 462645900 /nfs/dbraw/zinc/64/59/00/462645900.db2.gz PGDWITDQXJTOGB-UHFFFAOYSA-N 0 0 337.358 2.126 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCN(CCn2ccnc2)CC1 ZINC000075158005 462689176 /nfs/dbraw/zinc/68/91/76/462689176.db2.gz ADXWFNMLMGWEHE-UHFFFAOYSA-N 0 0 348.834 2.003 40 0 EEABRN CCCCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000006596876 462692081 /nfs/dbraw/zinc/69/20/81/462692081.db2.gz MCBWDZMGAPJQHM-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CC(C)CNC(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000064790018 462720000 /nfs/dbraw/zinc/72/00/00/462720000.db2.gz SHVPMIDQPWBQIG-UHFFFAOYSA-N 0 0 340.383 2.283 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000047219447 462756504 /nfs/dbraw/zinc/75/65/04/462756504.db2.gz WNXNEWOVFAGTEK-UHFFFAOYSA-N 0 0 331.759 2.033 40 0 EEABRN Cc1cccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)c1C ZINC000008476635 462784511 /nfs/dbraw/zinc/78/45/11/462784511.db2.gz IZIYUNUWZGAUJS-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)N[C@H]2CCCC[C@@H]2C)c1=O ZINC000012117523 462844053 /nfs/dbraw/zinc/84/40/53/462844053.db2.gz FFTPDOLWVFEUJO-KBPBESRZSA-N 0 0 330.432 2.474 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@](C)(CO)[C@]3(C)OC(C)(C)O[C@]3(C)[C@]2(C)O1 ZINC000012359040 462851533 /nfs/dbraw/zinc/85/15/33/462851533.db2.gz CYMKALUCKAWBMD-XAJHFOFHSA-N 0 0 330.421 2.326 40 0 EEABRN CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076498458 462869373 /nfs/dbraw/zinc/86/93/73/462869373.db2.gz VLNZWHOOQGWCGM-UONOGXRCSA-N 0 0 329.487 2.495 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(c2ccccc2O)=NO1 ZINC000013123893 462885711 /nfs/dbraw/zinc/88/57/11/462885711.db2.gz GKTXSCBZJGVXRR-MRXNPFEDSA-N 0 0 326.308 2.253 40 0 EEABRN C[C@@H]1C/C=C/[C@H](O)[C@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000013309321 462888887 /nfs/dbraw/zinc/88/88/87/462888887.db2.gz NHAQNKDEUQPSIX-VWVRNXPZSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN CC[C@H](C(=O)N(CC)CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715103 462901655 /nfs/dbraw/zinc/90/16/55/462901655.db2.gz LXDJAWRKCKOGOQ-CQSZACIVSA-N 0 0 330.425 2.239 40 0 EEABRN O=C(NCC[C@H](O)c1ccco1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077111299 462940563 /nfs/dbraw/zinc/94/05/63/462940563.db2.gz FECBCIULTNLHAA-DOMZBBRYSA-N 0 0 346.358 2.012 40 0 EEABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NC1CC1 ZINC000016491212 462981232 /nfs/dbraw/zinc/98/12/32/462981232.db2.gz AYGJDLXJUQMOMD-UHFFFAOYSA-N 0 0 336.457 2.289 40 0 EEABRN COCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000017321574 462998383 /nfs/dbraw/zinc/99/83/83/462998383.db2.gz SSQIFTMRXOHZOW-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN CC1(C)O[C@H](COP2OCCO2)[C@H](COP2OCCO2)O1 ZINC000018156125 463007799 /nfs/dbraw/zinc/00/77/99/463007799.db2.gz GRZCTUNSZLHSDO-AOOOYVTPSA-N 0 0 342.221 2.087 40 0 EEABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 ZINC000020154119 463026069 /nfs/dbraw/zinc/02/60/69/463026069.db2.gz JBMLBEIOMGVTBF-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN C[C@H](O)[C@@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000095449483 463086830 /nfs/dbraw/zinc/08/68/30/463086830.db2.gz CXGKNKOPJIILQQ-LSDHHAIUSA-N 0 0 342.443 2.064 40 0 EEABRN CC[C@@H]1N(Cc2cc(C)on2)CCC[C@]12CCC(=O)N2CCOC ZINC000096038509 463143950 /nfs/dbraw/zinc/14/39/50/463143950.db2.gz OMTYIHIPZZLGOM-WMZOPIPTSA-N 0 0 335.448 2.365 40 0 EEABRN Cc1nnc(N2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096041825 463146061 /nfs/dbraw/zinc/14/60/61/463146061.db2.gz MKQFJWSUCQPZDU-RRFJBIMHSA-N 0 0 332.429 2.195 40 0 EEABRN Fc1cnc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)nc1 ZINC000096048502 463151526 /nfs/dbraw/zinc/15/15/26/463151526.db2.gz NWGHCNJMFFIDLZ-BBRMVZONSA-N 0 0 349.435 2.308 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096048271 463151941 /nfs/dbraw/zinc/15/19/41/463151941.db2.gz RYQACGNPYAKVDC-QFBILLFUSA-N 0 0 339.395 2.319 40 0 EEABRN c1csc(CNC[C@H]2OCCc3cn(CC4CCOCC4)nc32)n1 ZINC000096059764 463160288 /nfs/dbraw/zinc/16/02/88/463160288.db2.gz ZRFDEFCAKLIQHY-OAHLLOKOSA-N 0 0 348.472 2.170 40 0 EEABRN Cc1ccc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)o1 ZINC000096059467 463160617 /nfs/dbraw/zinc/16/06/17/463160617.db2.gz CBNZZAYEDYAAHK-UHFFFAOYSA-N 0 0 328.416 2.217 40 0 EEABRN Cc1ccc(CN2CCn3c(CNC(=O)C4CC4)cnc3[C@@H]2C)o1 ZINC000096070179 463165872 /nfs/dbraw/zinc/16/58/72/463165872.db2.gz SXHCHRDFJDOPFJ-ZDUSSCGKSA-N 0 0 328.416 2.388 40 0 EEABRN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2ccc[nH]2)cn1 ZINC000096069869 463165953 /nfs/dbraw/zinc/16/59/53/463165953.db2.gz MRTDFGCPSBFNTF-DLBZAZTESA-N 0 0 328.416 2.001 40 0 EEABRN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1cc(Cl)cc(Cl)c1 ZINC000026505401 463166012 /nfs/dbraw/zinc/16/60/12/463166012.db2.gz JECIGSHQZUKUGO-ZJUUUORDSA-N 0 0 337.253 2.265 40 0 EEABRN Cc1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)s1 ZINC000096099844 463172696 /nfs/dbraw/zinc/17/26/96/463172696.db2.gz WBJQEHGADCRRDG-UHFFFAOYSA-N 0 0 343.499 2.460 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096105849 463174076 /nfs/dbraw/zinc/17/40/76/463174076.db2.gz APQLNFFFFMFKJU-AWEZNQCLSA-N 0 0 343.427 2.231 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107411 463175221 /nfs/dbraw/zinc/17/52/21/463175221.db2.gz QMTJBJKRAORIJA-KDOFPFPSSA-N 0 0 349.406 2.439 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000079042117 463182969 /nfs/dbraw/zinc/18/29/69/463182969.db2.gz YEWAKJGSUQKSLC-AWEZNQCLSA-N 0 0 349.456 2.076 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CCN(c3cccnc3)C2=O)CC1 ZINC000096157900 463188900 /nfs/dbraw/zinc/18/89/00/463188900.db2.gz ZJUGTLZQBKXSKT-UHFFFAOYSA-N 0 0 336.395 2.136 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc2C1)C1CCN(c2cnccn2)CC1 ZINC000079143254 463192497 /nfs/dbraw/zinc/19/24/97/463192497.db2.gz XXKVFIGHCASOKH-GOSISDBHSA-N 0 0 336.439 2.367 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)COCc2nc(-c3cccnc3)no2)C1 ZINC000096182086 463194240 /nfs/dbraw/zinc/19/42/40/463194240.db2.gz IFSVCMWQCJFNIQ-BETUJISGSA-N 0 0 330.388 2.153 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C)n3)OCC(=O)N2C)cc1 ZINC000096181486 463194411 /nfs/dbraw/zinc/19/44/11/463194411.db2.gz WKSCKMIPBMNDCN-ZWKOTPCHSA-N 0 0 339.395 2.235 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@H](COCc3ccncc3)CC[C@@H]21 ZINC000096186154 463197597 /nfs/dbraw/zinc/19/75/97/463197597.db2.gz FMNQSSDQFVLFKJ-BZSNNMDCSA-N 0 0 342.443 2.154 40 0 EEABRN O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096187275 463199320 /nfs/dbraw/zinc/19/93/20/463199320.db2.gz HQCGIEUVBASAFU-RBSFLKMASA-N 0 0 347.440 2.174 40 0 EEABRN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000096206026 463207950 /nfs/dbraw/zinc/20/79/50/463207950.db2.gz DUYUWHAHMWAUHL-KRWDZBQOSA-N 0 0 347.459 2.080 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000096215041 463213753 /nfs/dbraw/zinc/21/37/53/463213753.db2.gz YOFPDBJLMYWYKV-KBXCAEBGSA-N 0 0 348.468 2.443 40 0 EEABRN O=C(c1ccncc1)N1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096220121 463217719 /nfs/dbraw/zinc/21/77/19/463217719.db2.gz UHDWBEJKICKOIG-VQIMIIECSA-N 0 0 338.411 2.352 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(CN(Cc4ccccn4)CCO3)C2)nn1 ZINC000096226545 463220589 /nfs/dbraw/zinc/22/05/89/463220589.db2.gz YEUNJARLZZWKOF-LJQANCHMSA-N 0 0 339.443 2.051 40 0 EEABRN c1csc(CN2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226621 463221221 /nfs/dbraw/zinc/22/12/21/463221221.db2.gz WHAPJLZZFYJGEC-HNNXBMFYSA-N 0 0 336.486 2.471 40 0 EEABRN Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238800 463224391 /nfs/dbraw/zinc/22/43/91/463224391.db2.gz LEQQMTVEMDNXMV-GOSISDBHSA-N 0 0 328.391 2.188 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000096240749 463225695 /nfs/dbraw/zinc/22/56/95/463225695.db2.gz JSCBBGQLDPAPQF-AWEZNQCLSA-N 0 0 336.457 2.142 40 0 EEABRN O=C(c1cscn1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260060 463230054 /nfs/dbraw/zinc/23/00/54/463230054.db2.gz MYLWHJQWMMMEAC-UHFFFAOYSA-N 0 0 342.380 2.304 40 0 EEABRN CN(C)C(=O)[C@H]1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1 ZINC000096260872 463231842 /nfs/dbraw/zinc/23/18/42/463231842.db2.gz QNHZKNNIKKZUAG-OAHLLOKOSA-N 0 0 331.416 2.320 40 0 EEABRN Cc1cc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000028833341 463234046 /nfs/dbraw/zinc/23/40/46/463234046.db2.gz NJLVQELQRMZUTR-UHFFFAOYSA-N 0 0 349.438 2.304 40 0 EEABRN CCN(CC)C(=O)[C@H](Nc1cnn(C)c(=O)c1Cl)c1ccccc1 ZINC000096404017 463238436 /nfs/dbraw/zinc/23/84/36/463238436.db2.gz BCDCNKZFCGDQHE-OAHLLOKOSA-N 0 0 348.834 2.455 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000096409352 463242549 /nfs/dbraw/zinc/24/25/49/463242549.db2.gz JRVGKMNWKLFHBK-INIZCTEOSA-N 0 0 343.402 2.232 40 0 EEABRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000096410971 463244282 /nfs/dbraw/zinc/24/42/82/463244282.db2.gz NWBXWYJFMULQAI-DLBZAZTESA-N 0 0 349.394 2.015 40 0 EEABRN O=C(CS(=O)(=O)C1CCCC1)NCCc1cc2ccccc2o1 ZINC000096417070 463248933 /nfs/dbraw/zinc/24/89/33/463248933.db2.gz OTZVCCRJDRTTFM-UHFFFAOYSA-N 0 0 335.425 2.449 40 0 EEABRN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000096418611 463250797 /nfs/dbraw/zinc/25/07/97/463250797.db2.gz CUAKGLAIHRCTAI-SNVBAGLBSA-N 0 0 345.390 2.343 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420763 463251343 /nfs/dbraw/zinc/25/13/43/463251343.db2.gz AVVSNAYJBVXNLV-IJLUTSLNSA-N 0 0 342.317 2.165 40 0 EEABRN CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000096426113 463255528 /nfs/dbraw/zinc/25/55/28/463255528.db2.gz WXEBVGPRIMQKCC-NRFANRHFSA-N 0 0 344.502 2.486 40 0 EEABRN CCCc1nc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)no1 ZINC000096427485 463256694 /nfs/dbraw/zinc/25/66/94/463256694.db2.gz CZTHPVOGAISHED-OAHLLOKOSA-N 0 0 344.415 2.231 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc21)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096427064 463256931 /nfs/dbraw/zinc/25/69/31/463256931.db2.gz NISUPGGKFNUGQA-SJLPKXTDSA-N 0 0 348.402 2.309 40 0 EEABRN CC(=O)N1CCC(C(=O)NCCNc2ccc3ccccc3n2)CC1 ZINC000096436755 463265257 /nfs/dbraw/zinc/26/52/57/463265257.db2.gz QDKFOOGGYOXQCJ-UHFFFAOYSA-N 0 0 340.427 2.021 40 0 EEABRN C[C@@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000096440433 463266926 /nfs/dbraw/zinc/26/69/26/463266926.db2.gz VPOQBFHJKOFHRC-OTYXRUKQSA-N 0 0 340.786 2.306 40 0 EEABRN C[C@](O)(CNC(=O)NCc1cccc(-n2cccn2)c1)c1ccco1 ZINC000096440390 463267602 /nfs/dbraw/zinc/26/76/02/463267602.db2.gz OQFTVFRSINGKSC-SFHVURJKSA-N 0 0 340.383 2.172 40 0 EEABRN C[S@@](=O)C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000096445442 463269958 /nfs/dbraw/zinc/26/99/58/463269958.db2.gz GHSCHIFAKWOCPC-WNSKOXEYSA-N 0 0 331.441 2.138 40 0 EEABRN Cn1cc(C[C@H]2CCN(C(=O)Nc3cccc([S@@](C)=O)c3)C2)cn1 ZINC000096445987 463271296 /nfs/dbraw/zinc/27/12/96/463271296.db2.gz WGISYLXCZZAWFA-OZAJXLCCSA-N 0 0 346.456 2.254 40 0 EEABRN O=C(CC1(O)CCCCC1)NCCc1nnc(-c2ccccc2)o1 ZINC000096475565 463280346 /nfs/dbraw/zinc/28/03/46/463280346.db2.gz MVNLCAPFUIDIKZ-UHFFFAOYSA-N 0 0 329.400 2.481 40 0 EEABRN CCN(CC)C(=O)N1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000096489712 463286564 /nfs/dbraw/zinc/28/65/64/463286564.db2.gz FTJMRNSQTQTJMZ-UHFFFAOYSA-N 0 0 342.447 2.051 40 0 EEABRN C[C@H]1OCCN(C(=O)NCc2cn(C)nc2-c2ccccc2)[C@H]1C ZINC000096501316 463291526 /nfs/dbraw/zinc/29/15/26/463291526.db2.gz DREYVDDVTWCADZ-UONOGXRCSA-N 0 0 328.416 2.406 40 0 EEABRN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCc2ccccc21 ZINC000096502386 463292930 /nfs/dbraw/zinc/29/29/30/463292930.db2.gz OAJCPTVFILLOLU-INIZCTEOSA-N 0 0 336.395 2.349 40 0 EEABRN O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096783019 463299314 /nfs/dbraw/zinc/29/93/14/463299314.db2.gz RAEDLXAFCFCRFX-CVEARBPZSA-N 0 0 332.400 2.083 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@](C)(CO)C2)c1 ZINC000097094638 463321908 /nfs/dbraw/zinc/32/19/08/463321908.db2.gz ZCAAYVYZEZNVNV-QGZVFWFLSA-N 0 0 325.474 2.253 40 0 EEABRN CCN(C[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1)CC(F)(F)F ZINC000097098859 463322593 /nfs/dbraw/zinc/32/25/93/463322593.db2.gz QDYQWCXDQLPVPF-LLVKDONJSA-N 0 0 333.358 2.158 40 0 EEABRN C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)N1CCOC[C@H]1C ZINC000097104059 463325366 /nfs/dbraw/zinc/32/53/66/463325366.db2.gz WXOUGIXZRHVXFE-LSDHHAIUSA-N 0 0 327.428 2.003 40 0 EEABRN Cc1ccccc1OCC(=O)NCC1CCN(c2cnccn2)CC1 ZINC000070930369 463394560 /nfs/dbraw/zinc/39/45/60/463394560.db2.gz CGRZOWUVEVUZFM-UHFFFAOYSA-N 0 0 340.427 2.197 40 0 EEABRN CCOC(=O)c1cnc2cc(I)ccc2n1 ZINC000071256415 463412857 /nfs/dbraw/zinc/41/28/57/463412857.db2.gz LGFIMNNTQAAIEW-UHFFFAOYSA-N 0 0 328.109 2.411 40 0 EEABRN O=C(N[C@H](CO)c1ccccc1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000072523713 463514883 /nfs/dbraw/zinc/51/48/83/463514883.db2.gz FSWWDNKOPFWWPH-BBWFWOEESA-N 0 0 328.416 2.400 40 0 EEABRN COCc1nc(CN2CCN(Cc3c(C)noc3C)CC2)cs1 ZINC000072582792 463522964 /nfs/dbraw/zinc/52/29/64/463522964.db2.gz FPQDLJPVPYZPPT-UHFFFAOYSA-N 0 0 336.461 2.212 40 0 EEABRN COC(=O)[C@H]1CCCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000162619156 463525158 /nfs/dbraw/zinc/52/51/58/463525158.db2.gz DQIKGZOEXFQOJC-HOTGVXAUSA-N 0 0 328.416 2.479 40 0 EEABRN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000042054510 463537102 /nfs/dbraw/zinc/53/71/02/463537102.db2.gz WUFKKHYBHCRSIK-NWDGAFQWSA-N 0 0 330.384 2.439 40 0 EEABRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CN1CCCCC1 ZINC000058131520 463541666 /nfs/dbraw/zinc/54/16/66/463541666.db2.gz PJPNPEYIGGPWCU-INIZCTEOSA-N 0 0 326.400 2.074 40 0 EEABRN COC(=O)[C@H](c1ccccc1C)N1CCN(Cc2ccon2)CC1 ZINC000163026193 463557986 /nfs/dbraw/zinc/55/79/86/463557986.db2.gz HXYWYZRXQKNTMJ-KRWDZBQOSA-N 0 0 329.400 2.015 40 0 EEABRN Fc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)cc1 ZINC000107738965 463581353 /nfs/dbraw/zinc/58/13/53/463581353.db2.gz ROCBYHMSAWGWIE-PKOBYXMFSA-N 0 0 345.418 2.330 40 0 EEABRN CCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000042645878 463582923 /nfs/dbraw/zinc/58/29/23/463582923.db2.gz JVPFNIHMGSJMHW-UHFFFAOYSA-N 0 0 347.184 2.070 40 0 EEABRN Cc1cc(CCCC(=O)N[C@H](C)C(=O)N2CCOCC2)c(C)s1 ZINC000084538568 463610608 /nfs/dbraw/zinc/61/06/08/463610608.db2.gz GSWIFTBSIIOBRD-CYBMUJFWSA-N 0 0 338.473 2.051 40 0 EEABRN CC(C)(C)n1ccnc1SC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085251380 463642612 /nfs/dbraw/zinc/64/26/12/463642612.db2.gz MKSIQPMBSRTRKL-GFCCVEGCSA-N 0 0 331.507 2.402 40 0 EEABRN O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Cl ZINC000170609897 463683198 /nfs/dbraw/zinc/68/31/98/463683198.db2.gz XZUNGFGSWHLSPB-QJPTWQEYSA-N 0 0 329.791 2.258 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000044874865 463697783 /nfs/dbraw/zinc/69/77/83/463697783.db2.gz BVIPUPHSARGUAT-OKILXGFUSA-N 0 0 336.457 2.345 40 0 EEABRN c1cnc(N2CCC[C@@H](c3cncc(Nc4cnccn4)n3)C2)nc1 ZINC000257282312 463760552 /nfs/dbraw/zinc/76/05/52/463760552.db2.gz OTGIMKVPJDUBTE-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN C[C@H](O)CN(Cc1cccc2ccccc21)C(=O)c1cnc[nH]c1=O ZINC000257280966 463760594 /nfs/dbraw/zinc/76/05/94/463760594.db2.gz ONCLPEHEQSHGIE-ZDUSSCGKSA-N 0 0 337.379 2.359 40 0 EEABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2cnccn2)C1 ZINC000257291029 463765043 /nfs/dbraw/zinc/76/50/43/463765043.db2.gz QFGWUQYPJRIGMD-CQSZACIVSA-N 0 0 325.368 2.268 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257295240 463765920 /nfs/dbraw/zinc/76/59/20/463765920.db2.gz QXODJNYOMQURDQ-CQSZACIVSA-N 0 0 336.399 2.085 40 0 EEABRN COCC(=O)N1CCC2(C[C@H](N(C)c3ccc(F)cc3)CO2)CC1 ZINC000257295307 463766163 /nfs/dbraw/zinc/76/61/63/463766163.db2.gz QXUXJPBEKBGBPV-INIZCTEOSA-N 0 0 336.407 2.058 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(Cc3cccnc3)CCO2)ccn1 ZINC000257303082 463768461 /nfs/dbraw/zinc/76/84/61/463768461.db2.gz SFRNAYMZLKJSGN-GOSISDBHSA-N 0 0 326.444 2.376 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CCO[C@@H](c2cnccn2)C1 ZINC000257308753 463772112 /nfs/dbraw/zinc/77/21/12/463772112.db2.gz TXYLQSPJLNQQNO-LJQANCHMSA-N 0 0 337.423 2.498 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCc2ccccc21 ZINC000268508327 463772993 /nfs/dbraw/zinc/77/29/93/463772993.db2.gz WYCNKSWLGSHQTI-JKSUJKDBSA-N 0 0 340.427 2.496 40 0 EEABRN COc1ccc([C@H]2CN(Cc3ccncc3)CCN2C(C)=O)cc1 ZINC000257327109 463780010 /nfs/dbraw/zinc/78/00/10/463780010.db2.gz WZZDRKMBPCUVFC-LJQANCHMSA-N 0 0 325.412 2.496 40 0 EEABRN COc1ncccc1C(=O)N1CC(Cc2nccc3ccn(C)c32)C1 ZINC000257334332 463782083 /nfs/dbraw/zinc/78/20/83/463782083.db2.gz YFLKSBHYRHSHBK-UHFFFAOYSA-N 0 0 336.395 2.292 40 0 EEABRN CCc1cc(C(=O)N2CCN(C)[C@@H](c3ccc(OC)cc3)C2)no1 ZINC000257336138 463782359 /nfs/dbraw/zinc/78/23/59/463782359.db2.gz YNJBFBCSPRMOQZ-QGZVFWFLSA-N 0 0 329.400 2.375 40 0 EEABRN c1coc(CN2CCC[C@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257342836 463787448 /nfs/dbraw/zinc/78/74/48/463787448.db2.gz ZQIKBUMRGRWOLR-SFHVURJKSA-N 0 0 328.416 2.239 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000257344937 463788101 /nfs/dbraw/zinc/78/81/01/463788101.db2.gz ZZHXZSVWLVIVRT-LLVKDONJSA-N 0 0 334.370 2.379 40 0 EEABRN COC1CCN(C(=O)c2ccccc2-n2cnc(CN(C)C)c2)CC1 ZINC000257343829 463788120 /nfs/dbraw/zinc/78/81/20/463788120.db2.gz ZUPDRDHAMLPDON-UHFFFAOYSA-N 0 0 342.443 2.185 40 0 EEABRN COc1ccc(C2(C(=O)N3CCOC[C@@H]3c3nc(C)c[nH]3)CC2)cc1 ZINC000257344364 463788217 /nfs/dbraw/zinc/78/82/17/463788217.db2.gz ZWWVEPOUVLVXLO-MRXNPFEDSA-N 0 0 341.411 2.358 40 0 EEABRN COC[C@@H](NC(=O)NCCc1ccnn1C)c1ccc(Cl)cc1 ZINC000194564329 463885142 /nfs/dbraw/zinc/88/51/42/463885142.db2.gz NUABLURGVNGPJY-OAHLLOKOSA-N 0 0 336.823 2.303 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000178965364 464028145 /nfs/dbraw/zinc/02/81/45/464028145.db2.gz LGYFKNUPEFGDKB-UONOGXRCSA-N 0 0 333.461 2.392 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CCc2cc(Br)ccc2C1 ZINC000195469674 464057046 /nfs/dbraw/zinc/05/70/46/464057046.db2.gz AEWLJCJUJGRUCC-JTQLQIEISA-N 0 0 348.262 2.172 40 0 EEABRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@@H](C)C2)s1 ZINC000195530957 464071744 /nfs/dbraw/zinc/07/17/44/464071744.db2.gz ATVDOMIELISVRR-AAEUAGOBSA-N 0 0 330.475 2.159 40 0 EEABRN Cc1nnc(CN2CCN(C(=O)c3cc(C)c(C)cc3Cl)CC2)[nH]1 ZINC000195557002 464075886 /nfs/dbraw/zinc/07/58/86/464075886.db2.gz VNMVOTOSLWKHKP-UHFFFAOYSA-N 0 0 347.850 2.341 40 0 EEABRN COc1c(CNc2ccc(C(=O)N3CCCCC3)nc2)c(C)nn1C ZINC000195562800 464077902 /nfs/dbraw/zinc/07/79/02/464077902.db2.gz VWYYIDVNZWYNOU-UHFFFAOYSA-N 0 0 343.431 2.370 40 0 EEABRN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(O)cc1 ZINC000195563092 464077908 /nfs/dbraw/zinc/07/79/08/464077908.db2.gz IHPTZGUYLGMLMS-LJQANCHMSA-N 0 0 338.407 2.333 40 0 EEABRN CNC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000195571782 464078957 /nfs/dbraw/zinc/07/89/57/464078957.db2.gz WMLAKULDOVNARY-AWEZNQCLSA-N 0 0 335.423 2.135 40 0 EEABRN CCc1onc(C)c1NC(=O)C(=O)NCc1nccc2ccccc21 ZINC000179258896 464092431 /nfs/dbraw/zinc/09/24/31/464092431.db2.gz HSPWXKCXJRNABB-UHFFFAOYSA-N 0 0 338.367 2.349 40 0 EEABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000222821317 464133756 /nfs/dbraw/zinc/13/37/56/464133756.db2.gz INCIKDNAOCYANZ-GFCCVEGCSA-N 0 0 326.824 2.230 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000223203853 464137766 /nfs/dbraw/zinc/13/77/66/464137766.db2.gz YQMNBPDMDMXYKM-VFADXPBXSA-N 0 0 344.411 2.192 40 0 EEABRN CCC(C)(C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224096616 464148154 /nfs/dbraw/zinc/14/81/54/464148154.db2.gz AFWZMSHHOJLYDH-SNVBAGLBSA-N 0 0 348.415 2.424 40 0 EEABRN COc1cccc(C(=O)NCc2nccc(N3CCCCC3)n2)c1 ZINC000224158747 464148909 /nfs/dbraw/zinc/14/89/09/464148909.db2.gz WOYYSUNSIISFGH-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224275280 464149650 /nfs/dbraw/zinc/14/96/50/464149650.db2.gz ASHIRVBLTRGFHN-UHFFFAOYSA-N 0 0 348.424 2.270 40 0 EEABRN CO[C@@H](CNc1cc(N2CCOCC2)ncn1)c1ccc(F)cc1 ZINC000225480198 464164159 /nfs/dbraw/zinc/16/41/59/464164159.db2.gz NPCAIKJYDLBVOV-HNNXBMFYSA-N 0 0 332.379 2.252 40 0 EEABRN O=C(c1ccsc1)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000225486615 464165446 /nfs/dbraw/zinc/16/54/46/464165446.db2.gz SPYUOMNFGYOJQN-SNVBAGLBSA-N 0 0 346.334 2.116 40 0 EEABRN Cn1nc(C2CC2)cc1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000225570124 464172030 /nfs/dbraw/zinc/17/20/30/464172030.db2.gz DUOTUQSUNFYYFV-UHFFFAOYSA-N 0 0 341.415 2.125 40 0 EEABRN CCn1c(SCCN2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000188190260 464219113 /nfs/dbraw/zinc/21/91/13/464219113.db2.gz OYBHYIJHHZWHJG-ZDUSSCGKSA-N 0 0 333.461 2.173 40 0 EEABRN Nc1ccnc(CN2CCN(c3cccc(Br)c3)CC2)n1 ZINC000284746760 464320660 /nfs/dbraw/zinc/32/06/60/464320660.db2.gz LFTFBVGECXKYBO-UHFFFAOYSA-N 0 0 348.248 2.144 40 0 EEABRN CCN1CC[C@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351874 464442032 /nfs/dbraw/zinc/44/20/32/464442032.db2.gz AAGQPRJGKOLKTB-DZGCQCFKSA-N 0 0 348.390 2.321 40 0 EEABRN O=S(=O)(CCC(F)(F)F)NCCn1cc(-c2ccccc2)cn1 ZINC000239578996 464442871 /nfs/dbraw/zinc/44/28/71/464442871.db2.gz DDEFSNYEFWFEOV-UHFFFAOYSA-N 0 0 347.362 2.422 40 0 EEABRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccnn1C)CCC2 ZINC000241720943 464454953 /nfs/dbraw/zinc/45/49/53/464454953.db2.gz QTOUJPMQOKKSOV-LLVKDONJSA-N 0 0 340.474 2.137 40 0 EEABRN CN(CCOc1ccccc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287312 464470299 /nfs/dbraw/zinc/47/02/99/464470299.db2.gz BXCXCSWULUJZIV-GOEBONIOSA-N 0 0 329.437 2.492 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)[C@H](CO)c2cccc(F)c2)C1 ZINC000245339178 464470941 /nfs/dbraw/zinc/47/09/41/464470941.db2.gz RBLZMUHGCWJVJN-DVOMOZLQSA-N 0 0 344.452 2.014 40 0 EEABRN C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1c(F)cccc1Cl ZINC000189852741 464556711 /nfs/dbraw/zinc/55/67/11/464556711.db2.gz SWGZGNAYROXNRD-VWYCJHECSA-N 0 0 330.787 2.331 40 0 EEABRN CC(C)[C@@H](C(=O)N1CCC=C(F)C1)N1C(=O)c2ccccc2C1=O ZINC000272317589 464562461 /nfs/dbraw/zinc/56/24/61/464562461.db2.gz ZRJSZWCEUONYCX-HNNXBMFYSA-N 0 0 330.359 2.393 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](NC(=O)Cc3ccncc3)C2)c1 ZINC000182078669 464566722 /nfs/dbraw/zinc/56/67/22/464566722.db2.gz IAXCMNUOHXIVSB-HNNXBMFYSA-N 0 0 341.411 2.036 40 0 EEABRN O=C(NCCc1cccs1)[C@H]1CN(CC2CC2)Cc2ccnn21 ZINC000247468368 464682665 /nfs/dbraw/zinc/68/26/65/464682665.db2.gz DLFDYDSZAHIABZ-MRXNPFEDSA-N 0 0 330.457 2.070 40 0 EEABRN COCC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 ZINC000247818275 464707773 /nfs/dbraw/zinc/70/77/73/464707773.db2.gz HCONZKQPFARQSW-MRXNPFEDSA-N 0 0 348.443 2.032 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccncc2)Cc2c1cnn2CC1CC1 ZINC000247840347 464709531 /nfs/dbraw/zinc/70/95/31/464709531.db2.gz KSTKXSUDDHBWCS-HNNXBMFYSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(c4ncccn4)C3)C2)cs1 ZINC000248010859 464722652 /nfs/dbraw/zinc/72/26/52/464722652.db2.gz FYNIZPTUYPUPGJ-CQSZACIVSA-N 0 0 332.429 2.196 40 0 EEABRN Cn1nccc1C(=O)N1CC2(C1)C[C@@H](OCC1CCCC1)CS2 ZINC000248021166 464723635 /nfs/dbraw/zinc/72/36/35/464723635.db2.gz IBKJJKJEOLFVLK-CQSZACIVSA-N 0 0 335.473 2.327 40 0 EEABRN COCCNC(=O)c1cn2c(n1)[C@H](C)N(Cc1ccc(C)s1)CC2 ZINC000248048279 464727100 /nfs/dbraw/zinc/72/71/00/464727100.db2.gz AKLRLFKUCRHNQG-ZDUSSCGKSA-N 0 0 348.472 2.206 40 0 EEABRN CO[C@@H]1CC[C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191424515 464814866 /nfs/dbraw/zinc/81/48/66/464814866.db2.gz WKKRTPYYEFIKNL-HZPDHXFCSA-N 0 0 332.448 2.226 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@@H]3CCNc2ccccn2)cn1 ZINC000249681044 464903110 /nfs/dbraw/zinc/90/31/10/464903110.db2.gz BDFRKFQWLLSXHC-KRWDZBQOSA-N 0 0 341.459 2.391 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000252490034 464966675 /nfs/dbraw/zinc/96/66/75/464966675.db2.gz KHRQEYAKQOKVCM-OAHLLOKOSA-N 0 0 342.443 2.165 40 0 EEABRN Cc1cc(C)n(-c2ccc(CNc3ccc4nc(C)nn4n3)cn2)n1 ZINC000252504265 464972457 /nfs/dbraw/zinc/97/24/57/464972457.db2.gz VJACNUFZTGSLED-UHFFFAOYSA-N 0 0 334.387 2.242 40 0 EEABRN C[C@H](NC(=O)N1CC[C@H](C)[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000252571672 464983941 /nfs/dbraw/zinc/98/39/41/464983941.db2.gz YHIFRGAPGZMBKX-RLFYNMQTSA-N 0 0 342.443 2.405 40 0 EEABRN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418303 465005451 /nfs/dbraw/zinc/00/54/51/465005451.db2.gz GEIQWNFGFPQSCJ-MNOVXSKESA-N 0 0 344.337 2.037 40 0 EEABRN O=C(NCc1ccc2ncccc2c1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000253421374 465009355 /nfs/dbraw/zinc/00/93/55/465009355.db2.gz VGXJQFVDZWUPES-LPHOPBHVSA-N 0 0 341.411 2.372 40 0 EEABRN Cn1nccc1S(=O)(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000253428529 465012557 /nfs/dbraw/zinc/01/25/57/465012557.db2.gz LNCBJWKHYCEVMH-ZDUSSCGKSA-N 0 0 337.470 2.223 40 0 EEABRN Cc1ncsc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000253432908 465014935 /nfs/dbraw/zinc/01/49/35/465014935.db2.gz POHLQHWZQPHVIE-HOTGVXAUSA-N 0 0 345.468 2.064 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000253432825 465015372 /nfs/dbraw/zinc/01/53/72/465015372.db2.gz OPCWHPQVZSCDNE-MRXNPFEDSA-N 0 0 347.440 2.006 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)no1 ZINC000331546529 466133822 /nfs/dbraw/zinc/13/38/22/466133822.db2.gz WGEYLHCVQMLMBN-XHBSWPGZSA-N 0 0 336.413 2.356 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1)C1(F)CCC1 ZINC000306137078 466492183 /nfs/dbraw/zinc/49/21/83/466492183.db2.gz QLCMMRDCRWWVNL-HNNXBMFYSA-N 0 0 348.418 2.498 40 0 EEABRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](CCC)N=2 ZINC000408731013 466682793 /nfs/dbraw/zinc/68/27/93/466682793.db2.gz IFRIHTINMIBHJA-YGYTWAPGSA-N 0 0 336.457 2.086 40 0 EEABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)cc2O)C1=O ZINC000409014968 466684121 /nfs/dbraw/zinc/68/41/21/466684121.db2.gz QQIUIQPFDAFTDB-UGZWPXFQSA-N 0 0 337.353 2.086 40 0 EEABRN COc1cc(N2CCN(c3nc4ccccc4o3)CC2)c(C#N)cn1 ZINC000390833402 467414489 /nfs/dbraw/zinc/41/44/89/467414489.db2.gz GZEBXTKVYLHKNX-UHFFFAOYSA-N 0 0 335.367 2.430 40 0 EEABRN CNC(=O)CNC(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000390835715 467414918 /nfs/dbraw/zinc/41/49/18/467414918.db2.gz VTEWFWKEZOZETD-UHFFFAOYSA-N 0 0 326.400 2.191 40 0 EEABRN COCc1cccc2sc(NC(=O)[C@H]3CCc4n[nH]nc4C3)nc21 ZINC000390835626 467415040 /nfs/dbraw/zinc/41/50/40/467415040.db2.gz SSTSRZDFDZOKTN-VIFPVBQESA-N 0 0 343.412 2.304 40 0 EEABRN O=C(C1CCC1)N1CC2(C1)OCC[C@H]2CCOCc1cccnc1 ZINC000575404581 468141407 /nfs/dbraw/zinc/14/14/07/468141407.db2.gz SEAPXJJPGNGZAB-QGZVFWFLSA-N 0 0 330.428 2.406 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575405668 468141842 /nfs/dbraw/zinc/14/18/42/468141842.db2.gz ZHFYQCUEKLAZIR-SNPRPXQTSA-N 0 0 325.474 2.172 40 0 EEABRN Cc1nc2c(c(Oc3ccc(NS(C)(=O)=O)nc3)n1)CCCC2 ZINC000578812848 468260230 /nfs/dbraw/zinc/26/02/30/468260230.db2.gz WWGGEGGCFDCUTH-UHFFFAOYSA-N 0 0 334.401 2.223 40 0 EEABRN Cc1ccoc1C(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C ZINC000585096572 468964519 /nfs/dbraw/zinc/96/45/19/468964519.db2.gz UBVAARBLXMDNLB-GFCCVEGCSA-N 0 0 330.388 2.140 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C ZINC000585097656 468965116 /nfs/dbraw/zinc/96/51/16/468965116.db2.gz MFHFAHSBMQOGLJ-ZDUSSCGKSA-N 0 0 332.448 2.188 40 0 EEABRN COC[C@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12 ZINC000585098340 468966958 /nfs/dbraw/zinc/96/69/58/468966958.db2.gz WNDPHDPIJUCSSR-OAHLLOKOSA-N 0 0 338.411 2.436 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C ZINC000585098226 468967050 /nfs/dbraw/zinc/96/70/50/468967050.db2.gz SJOYPXBMWOTAGH-IOASZLSFSA-N 0 0 344.459 2.044 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C ZINC000585097951 468967548 /nfs/dbraw/zinc/96/75/48/468967548.db2.gz PPXOEFPEWLEZSJ-CQSZACIVSA-N 0 0 332.448 2.141 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@@H]2C ZINC000585098002 468967735 /nfs/dbraw/zinc/96/77/35/468967735.db2.gz QHBIDVSBWJMCOX-CYBMUJFWSA-N 0 0 331.391 2.357 40 0 EEABRN CCCNC(=O)C1=NO[C@]2(C1)CCCN(Cc1cnn(C(C)C)c1)C2 ZINC000585101238 468969320 /nfs/dbraw/zinc/96/93/20/468969320.db2.gz PUJJRUGSWWXHQL-SFHVURJKSA-N 0 0 347.463 2.101 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585105535 468972572 /nfs/dbraw/zinc/97/25/72/468972572.db2.gz ZATQSSCKODKXKG-OAHLLOKOSA-N 0 0 327.409 2.256 40 0 EEABRN CCOC[C@@H](NC(=O)Nc1cccc(F)c1S(C)(=O)=O)C(C)C ZINC000585140316 468989131 /nfs/dbraw/zinc/98/91/31/468989131.db2.gz BRISRDPEUGJZSY-CYBMUJFWSA-N 0 0 346.424 2.412 40 0 EEABRN CC[C@H](Sc1ccccc1)C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC000585141219 468989891 /nfs/dbraw/zinc/98/98/91/468989891.db2.gz RINOOWSGEAPVTF-JSGCOSHPSA-N 0 0 346.456 2.496 40 0 EEABRN Cc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)cn1 ZINC000585182035 468996271 /nfs/dbraw/zinc/99/62/71/468996271.db2.gz PFTJJTBTAAMGJY-CQSZACIVSA-N 0 0 334.445 2.244 40 0 EEABRN O=C(Cc1cccnc1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585268951 468997819 /nfs/dbraw/zinc/99/78/19/468997819.db2.gz FMGWTUSMJBBMAS-SJLPKXTDSA-N 0 0 328.387 2.215 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCN(C(=O)CCCn3cccn3)C2)c1 ZINC000585274037 468999667 /nfs/dbraw/zinc/99/96/67/468999667.db2.gz YYHNTXNNDONOFC-IBGZPJMESA-N 0 0 343.427 2.014 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@](CO)(Cc3ccccc3F)C2)[nH]1 ZINC000585275988 469001059 /nfs/dbraw/zinc/00/10/59/469001059.db2.gz COVPMCLJNGEDBN-LJQANCHMSA-N 0 0 347.434 2.226 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnco2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585288234 469009733 /nfs/dbraw/zinc/00/97/33/469009733.db2.gz SEECERRNSMSRDI-YXJHDRRASA-N 0 0 328.368 2.088 40 0 EEABRN O=C(NCCCc1ccccc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390826745 485668264 /nfs/dbraw/zinc/66/82/64/485668264.db2.gz BMBXHFFJCGKCIU-MRXNPFEDSA-N 0 0 344.390 2.411 40 0 EEABRN O=S(=O)(C1CC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 ZINC000672233038 486079939 /nfs/dbraw/zinc/07/99/39/486079939.db2.gz QOIUMRUYJKISOM-UHFFFAOYSA-N 0 0 349.378 2.469 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075161482 501061872 /nfs/dbraw/zinc/06/18/72/501061872.db2.gz HRUWMJDNRFYGPD-SNVBAGLBSA-N 0 0 328.290 2.078 40 0 EEABRN C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)c1nccs1 ZINC000187027454 533917663 /nfs/dbraw/zinc/91/76/63/533917663.db2.gz MOKWBMUZYYTCMZ-LBPRGKRZSA-N 0 0 346.460 2.323 40 0 EEABRN Cc1oc(-c2ccccc2)c(C(=O)Nc2cnn(CC(N)=O)c2)c1C ZINC000188233028 534523674 /nfs/dbraw/zinc/52/36/74/534523674.db2.gz GTGNNWMBAMGVKI-UHFFFAOYSA-N 0 0 338.367 2.498 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)c1F ZINC000244955835 522614062 /nfs/dbraw/zinc/61/40/62/522614062.db2.gz GBTNXJHAYQEPKG-NSHDSACASA-N 0 0 346.362 2.337 40 0 EEABRN Cc1cccc(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000096473655 534715665 /nfs/dbraw/zinc/71/56/65/534715665.db2.gz WDGFECIKTLQROW-QGZVFWFLSA-N 0 0 344.459 2.370 40 0 EEABRN O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1CC(F)(F)F ZINC000187944690 534803700 /nfs/dbraw/zinc/80/37/00/534803700.db2.gz DGSBRTAPADWNGG-SNVBAGLBSA-N 0 0 343.334 2.281 40 0 EEABRN CCCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000113934445 528505038 /nfs/dbraw/zinc/50/50/38/528505038.db2.gz AMZUSAORISSPSM-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000130824969 528672630 /nfs/dbraw/zinc/67/26/30/528672630.db2.gz JPKOGTBEYMXQEE-UHFFFAOYSA-N 0 0 334.397 2.246 40 0 EEABRN CCCn1c(C)nnc1CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000159275212 528814810 /nfs/dbraw/zinc/81/48/10/528814810.db2.gz VMXZZUZBEISXOV-OAHLLOKOSA-N 0 0 328.464 2.270 40 0 EEABRN CCC[C@@H](C)NC(=O)c1ccc(OCC)c(S(=O)(=O)NCC)c1 ZINC000408700573 528899320 /nfs/dbraw/zinc/89/93/20/528899320.db2.gz ICDZBBIENRMTPH-GFCCVEGCSA-N 0 0 342.461 2.302 40 0 EEABRN CN1C(=O)CCC[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@H]21 ZINC000257261738 536307291 /nfs/dbraw/zinc/30/72/91/536307291.db2.gz LIPKLDGTKKXNLB-NVXWUHKLSA-N 0 0 330.428 2.315 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cccc3c2OCCO3)n1 ZINC000257218784 536421687 /nfs/dbraw/zinc/42/16/87/536421687.db2.gz DEKMDFONHYHKEE-AWEZNQCLSA-N 0 0 340.383 2.267 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)CCc2cc(Cl)no2)n1 ZINC000257221814 536421747 /nfs/dbraw/zinc/42/17/47/536421747.db2.gz DQQCKYYCDQTGDZ-GFCCVEGCSA-N 0 0 335.795 2.456 40 0 EEABRN O=C(c1cn[nH]n1)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000884878217 1202369019 /nfs/dbraw/zinc/36/90/19/1202369019.db2.gz ZPOZJZDCYFTAJN-UHFFFAOYSA-N 0 0 341.596 2.419 40 0 EEABRN Cc1cccc(NS(=O)(=O)CC2=NC(=O)n3cccc3C2=O)c1C ZINC000032611916 1352382961 /nfs/dbraw/zinc/38/29/61/1352382961.db2.gz DJKVRVABCCBWOF-UHFFFAOYSA-N 0 0 345.380 2.152 40 0 EEABRN CO[C@](C)(CO)CNC(=O)c1c(C)c(Br)ccc1F ZINC000824249572 788107583 /nfs/dbraw/zinc/10/75/83/788107583.db2.gz ZCCIXIMKPRZQDQ-ZDUSSCGKSA-N 0 0 334.185 2.024 40 0 EEABRN Cc1nn(C(C)C)c2cnn(CCNC(=O)Cc3ccccc3)c12 ZINC000057279691 214416097 /nfs/dbraw/zinc/41/60/97/214416097.db2.gz ZDRCZTFEPRTPJP-UHFFFAOYSA-N 0 0 325.416 2.481 40 0 EEABRN COC(=O)c1sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(C(N)=O)c1C ZINC000004646537 210237151 /nfs/dbraw/zinc/23/71/51/210237151.db2.gz KUNHUIBUUBEJFT-AEJSXWLSSA-N 0 0 336.413 2.317 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004132867 210127212 /nfs/dbraw/zinc/12/72/12/210127212.db2.gz IJKNYJKIPKNIBA-UHFFFAOYSA-N 0 0 347.484 2.224 40 0 EEABRN CCOC(=O)c1c(N)n(C(=O)c2ccc(OC)cc2)nc1SC ZINC000003851883 210080694 /nfs/dbraw/zinc/08/06/94/210080694.db2.gz ACDSEWIFYNSECI-UHFFFAOYSA-N 0 0 335.385 2.061 40 0 EEABRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000179647322 233270310 /nfs/dbraw/zinc/27/03/10/233270310.db2.gz OMLFKQHKRIFINM-CYBMUJFWSA-N 0 0 326.400 2.377 40 0 EEABRN CCc1noc([C@H]2CCCCN2C(=O)c2nnc3ccccc3n2)n1 ZINC000040714888 213373039 /nfs/dbraw/zinc/37/30/39/213373039.db2.gz MDUDMIXSPBGQFR-CYBMUJFWSA-N 0 0 338.371 2.338 40 0 EEABRN Cc1cc(CNc2nnc([C@H]3CCCO3)o2)ccc1-n1cncn1 ZINC000181798797 234325784 /nfs/dbraw/zinc/32/57/84/234325784.db2.gz KKTKJRNHQDCCKJ-CQSZACIVSA-N 0 0 326.360 2.422 40 0 EEABRN Cc1nc(C)c(CCC(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000040474241 213311909 /nfs/dbraw/zinc/31/19/09/213311909.db2.gz ZPPASHWKZAAUAF-UHFFFAOYSA-N 0 0 342.424 2.245 40 0 EEABRN O=C(NCCCOCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000040466665 213309934 /nfs/dbraw/zinc/30/99/34/213309934.db2.gz YCMOVGNBHVHZHZ-UHFFFAOYSA-N 0 0 337.383 2.203 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 ZINC000040457000 213306545 /nfs/dbraw/zinc/30/65/45/213306545.db2.gz QLZXWALINXVUID-LLVKDONJSA-N 0 0 328.459 2.345 40 0 EEABRN COCCNC(=O)NC(=O)CNc1ccc(-c2ccccc2)cc1 ZINC000040162269 213276862 /nfs/dbraw/zinc/27/68/62/213276862.db2.gz IMSVYXXXUISSNV-UHFFFAOYSA-N 0 0 327.384 2.238 40 0 EEABRN O=C(NCCc1ccc(Cl)cc1)c1cccnc1-n1cncn1 ZINC000039551909 213240145 /nfs/dbraw/zinc/24/01/45/213240145.db2.gz AWJZYTVNDMUNLW-UHFFFAOYSA-N 0 0 327.775 2.288 40 0 EEABRN Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 ZINC000035290433 213017949 /nfs/dbraw/zinc/01/79/49/213017949.db2.gz QIWCCHGZVYDTKI-UHFFFAOYSA-N 0 0 325.397 2.215 40 0 EEABRN CCOC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000033726445 212961188 /nfs/dbraw/zinc/96/11/88/212961188.db2.gz OQUVXAWAJPEGCO-UHFFFAOYSA-N 0 0 326.201 2.323 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ccc(OC)cc2OC)cc1 ZINC000033859250 212965812 /nfs/dbraw/zinc/96/58/12/212965812.db2.gz HNKHUXHUIVDROE-UHFFFAOYSA-N 0 0 337.397 2.191 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000072242124 216081604 /nfs/dbraw/zinc/08/16/04/216081604.db2.gz KBQKDORROBMMRA-PBHICJAKSA-N 0 0 344.390 2.334 40 0 EEABRN O=C(NC[C@@H]1CCCN(C(=O)c2cscn2)C1)c1cccs1 ZINC000072324239 216151536 /nfs/dbraw/zinc/15/15/36/216151536.db2.gz UXARUSWPHHLJEE-NSHDSACASA-N 0 0 335.454 2.487 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377769 216178910 /nfs/dbraw/zinc/17/89/10/216178910.db2.gz NESWDJUUZFEKQI-HNNXBMFYSA-N 0 0 347.382 2.383 40 0 EEABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000072389608 216189145 /nfs/dbraw/zinc/18/91/45/216189145.db2.gz UJMZUSWXHOCCJV-ZDUSSCGKSA-N 0 0 341.367 2.182 40 0 EEABRN Cc1nn(C)c(C)c1OC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000072497487 216262983 /nfs/dbraw/zinc/26/29/83/216262983.db2.gz KYJZORNYQFNSIJ-QGZVFWFLSA-N 0 0 343.427 2.233 40 0 EEABRN C[C@@](O)(CNC(=O)Nc1cnn(CC(F)F)c1)c1ccsc1 ZINC000072545004 216271376 /nfs/dbraw/zinc/27/13/76/216271376.db2.gz DYZNGYVUJMUHJL-CYBMUJFWSA-N 0 0 330.360 2.239 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000131478643 223236248 /nfs/dbraw/zinc/23/62/48/223236248.db2.gz VUMGDBKKIRKJRU-LSDHHAIUSA-N 0 0 339.480 2.092 40 0 EEABRN COC(=O)CCCNC(=O)c1cn(C)nc1-c1ccc(F)cc1F ZINC000072740447 216303080 /nfs/dbraw/zinc/30/30/80/216303080.db2.gz IVEIKYJWIMCLDS-UHFFFAOYSA-N 0 0 337.326 2.048 40 0 EEABRN c1cc(N2CCCCC2)ncc1-c1noc(CC2OCCCO2)n1 ZINC000193181262 240050874 /nfs/dbraw/zinc/05/08/74/240050874.db2.gz RGEHYPGSONSBBP-UHFFFAOYSA-N 0 0 330.388 2.427 40 0 EEABRN CCCCCn1c(=O)c2c3c(cnc2n(CC)c1=O)C(=O)CCC3 ZINC000022610535 212311767 /nfs/dbraw/zinc/31/17/67/212311767.db2.gz CYRRSESNVGLXIG-UHFFFAOYSA-N 0 0 329.400 2.287 40 0 EEABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCCCOC(C)C)cn2C ZINC000022237340 212284923 /nfs/dbraw/zinc/28/49/23/212284923.db2.gz ZNNKOUHDEWNNHE-UHFFFAOYSA-N 0 0 346.427 2.482 40 0 EEABRN O=C([C@H]1CCCN(c2ccnc3c(F)cccc23)C1)N1CCOCC1 ZINC000195578534 241024747 /nfs/dbraw/zinc/02/47/47/241024747.db2.gz PHIUKXPXEKECFX-AWEZNQCLSA-N 0 0 343.402 2.449 40 0 EEABRN O=C(C1CCC1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211104829 241078953 /nfs/dbraw/zinc/07/89/53/241078953.db2.gz DLUMBKZIUZEMRI-HNNXBMFYSA-N 0 0 325.405 2.391 40 0 EEABRN C[C@@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccncc1 ZINC000096426146 296095022 /nfs/dbraw/zinc/09/50/22/296095022.db2.gz YXWHUDLRHDRAHZ-RDTXWAMCSA-N 0 0 343.402 2.471 40 0 EEABRN OCCOc1cncc(N2CCC(Nc3ccccc3F)CC2)n1 ZINC000132927378 223374796 /nfs/dbraw/zinc/37/47/96/223374796.db2.gz RIWPSYICAAJRJN-UHFFFAOYSA-N 0 0 332.379 2.068 40 0 EEABRN CC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cccc(F)c2)s1 ZINC000223810214 241693939 /nfs/dbraw/zinc/69/39/39/241693939.db2.gz HEAUJZDLDZSZDD-UHFFFAOYSA-N 0 0 343.405 2.061 40 0 EEABRN O=C(CSc1ccnc2ccccc21)NCCCN1CCCC1=O ZINC000225441261 241863492 /nfs/dbraw/zinc/86/34/92/241863492.db2.gz QYGOYVDFHLYKDF-UHFFFAOYSA-N 0 0 343.452 2.456 40 0 EEABRN Cc1cccc(C(=O)N2CCc3cnn(C)c3[C@H]2COCC2CC2)n1 ZINC000248070545 243517962 /nfs/dbraw/zinc/51/79/62/243517962.db2.gz XMNHWPGSCJGMIV-QGZVFWFLSA-N 0 0 340.427 2.290 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000253415970 243935140 /nfs/dbraw/zinc/93/51/40/243935140.db2.gz VADCWMCEFCLNSR-QZTJIDSGSA-N 0 0 340.427 2.282 40 0 EEABRN COC(=O)[C@@H](c1ccsc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000253396396 243896730 /nfs/dbraw/zinc/89/67/30/243896730.db2.gz BJPRTZVZIAVYKD-HZPDHXFCSA-N 0 0 338.473 2.149 40 0 EEABRN Cc1noc(C)c1CC(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257222893 244190727 /nfs/dbraw/zinc/19/07/27/244190727.db2.gz DVACDOGYHWDYCY-OAHLLOKOSA-N 0 0 330.388 2.182 40 0 EEABRN O=c1cc(C[C@H]2COCCN(Cc3ccc(F)cc3F)C2)nc[nH]1 ZINC000257243170 244250424 /nfs/dbraw/zinc/25/04/24/244250424.db2.gz IFTAEJSUVRHCSG-GFCCVEGCSA-N 0 0 335.354 2.152 40 0 EEABRN CCCCS(=O)(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257233818 244223191 /nfs/dbraw/zinc/22/31/91/244223191.db2.gz GQWAWCNPPUASSM-HOTGVXAUSA-N 0 0 327.446 2.021 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257233745 244223541 /nfs/dbraw/zinc/22/35/41/244223541.db2.gz GQOCKDTUTKPMMN-CQSZACIVSA-N 0 0 343.431 2.273 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257237513 244232774 /nfs/dbraw/zinc/23/27/74/244232774.db2.gz HGVQOUAZWDRQHD-CQSZACIVSA-N 0 0 339.395 2.494 40 0 EEABRN COCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000257240624 244241683 /nfs/dbraw/zinc/24/16/83/244241683.db2.gz HUJNXPMPXKBONE-QZTJIDSGSA-N 0 0 345.370 2.236 40 0 EEABRN Cc1nc(-c2nccn2C)cc(C2CCN(c3ncccn3)CC2)n1 ZINC000257253164 244272894 /nfs/dbraw/zinc/27/28/94/244272894.db2.gz JXUJVKLJCQNTLH-UHFFFAOYSA-N 0 0 335.415 2.360 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)c1 ZINC000257258062 244288182 /nfs/dbraw/zinc/28/81/82/244288182.db2.gz KSGLIGCNNRTQKL-LPHOPBHVSA-N 0 0 330.428 2.288 40 0 EEABRN Cc1cnc([C@@H]2CN(Cc3cnn4c3nc(C)cc4C)CCO2)cn1 ZINC000257265844 244361259 /nfs/dbraw/zinc/36/12/59/244361259.db2.gz MAPCSSLJCMCYQH-KRWDZBQOSA-N 0 0 338.415 2.018 40 0 EEABRN Cc1ccnc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257271407 244379307 /nfs/dbraw/zinc/37/93/07/244379307.db2.gz MYEFVASKNUDNIA-MRXNPFEDSA-N 0 0 329.375 2.457 40 0 EEABRN CC1(C(N)=O)CCN(C(=O)c2ccc(Cc3ccccc3)nc2)CC1 ZINC000257268666 244370700 /nfs/dbraw/zinc/37/07/00/244370700.db2.gz MMQCRSCAOJUBFR-UHFFFAOYSA-N 0 0 337.423 2.400 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)c(=O)[nH]c1C ZINC000257269676 244373014 /nfs/dbraw/zinc/37/30/14/244373014.db2.gz MQXHSMHHSMAPEZ-AWEZNQCLSA-N 0 0 326.400 2.198 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257261617 244350687 /nfs/dbraw/zinc/35/06/87/244350687.db2.gz LICUWCKAMJSCTL-MRXNPFEDSA-N 0 0 345.374 2.081 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@H](c3nccc(C)n3)C2)c1 ZINC000257276148 244391718 /nfs/dbraw/zinc/39/17/18/244391718.db2.gz NSNIXMGFRYOQCP-INIZCTEOSA-N 0 0 327.384 2.145 40 0 EEABRN CCN(C(C)=O)[C@@H]1CCOC2(CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000257291690 244438111 /nfs/dbraw/zinc/43/81/11/244438111.db2.gz QIEMAHCIIJHAJD-QGZVFWFLSA-N 0 0 346.475 2.480 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000257327448 244538963 /nfs/dbraw/zinc/53/89/63/244538963.db2.gz XBKKAFBKJTZPHT-CQSZACIVSA-N 0 0 328.416 2.441 40 0 EEABRN CNc1nc([C@@H]2CCCN2C)nc2c1CCN(C(=O)C1CCCC1)C2 ZINC000019707367 212056142 /nfs/dbraw/zinc/05/61/42/212056142.db2.gz HDFNEWAFTRUYNQ-INIZCTEOSA-N 0 0 343.475 2.360 40 0 EEABRN CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3ccccc3)C[C@@H]12 ZINC000019576393 212045933 /nfs/dbraw/zinc/04/59/33/212045933.db2.gz VJWWUJNNUFULKB-UTKZUKDTSA-N 0 0 348.402 2.486 40 0 EEABRN O=C(Cc1cccnc1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 ZINC000019347247 212019801 /nfs/dbraw/zinc/01/98/01/212019801.db2.gz QDDLQKRKTSBGEG-UHFFFAOYSA-N 0 0 348.406 2.267 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)s1 ZINC000019217299 212005403 /nfs/dbraw/zinc/00/54/03/212005403.db2.gz MUGRMKYKVCNZEM-UHFFFAOYSA-N 0 0 335.454 2.464 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c(OC)c1 ZINC000078403668 217049429 /nfs/dbraw/zinc/04/94/29/217049429.db2.gz JTKHWUYYFNTZQM-UHFFFAOYSA-N 0 0 334.397 2.473 40 0 EEABRN C[C@@H](OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000078442498 217053964 /nfs/dbraw/zinc/05/39/64/217053964.db2.gz HJKVCJTUJZHFPG-YPMHNXCESA-N 0 0 329.393 2.102 40 0 EEABRN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000078549821 217072895 /nfs/dbraw/zinc/07/28/95/217072895.db2.gz BLJDFDRCTFZWIZ-JTQLQIEISA-N 0 0 342.729 2.183 40 0 EEABRN CSc1nc(C)c(CCc2nc(Cc3noc(C)n3)no2)c(C)n1 ZINC000078774059 217118374 /nfs/dbraw/zinc/11/83/74/217118374.db2.gz VAQLGUYNRUYVJX-UHFFFAOYSA-N 0 0 346.416 2.266 40 0 EEABRN O=C(CCc1cccnc1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000078997522 217169644 /nfs/dbraw/zinc/16/96/44/217169644.db2.gz HKWXRDRDRNHKBA-HNNXBMFYSA-N 0 0 327.359 2.075 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 ZINC000016637371 211923212 /nfs/dbraw/zinc/92/32/12/211923212.db2.gz CWBBABHLPYQVGU-GFCCVEGCSA-N 0 0 330.425 2.141 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000079098623 217193629 /nfs/dbraw/zinc/19/36/29/217193629.db2.gz YYBTWEHUPZMQID-MAUKXSAKSA-N 0 0 327.432 2.430 40 0 EEABRN C[C@H]1CN(c2cc(NC3CC3)ncn2)CCN1C(=O)OC(C)(C)C ZINC000079439494 217225250 /nfs/dbraw/zinc/22/52/50/217225250.db2.gz LELXUWRMTZGDNT-LBPRGKRZSA-N 0 0 333.436 2.497 40 0 EEABRN O=C(CCC(F)(F)F)Nc1cnn(CC(=O)Nc2cccnc2)c1 ZINC000079907488 217262953 /nfs/dbraw/zinc/26/29/53/217262953.db2.gz CMEWZZANJSMTSI-UHFFFAOYSA-N 0 0 341.293 2.198 40 0 EEABRN COc1ccc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000084583565 217616971 /nfs/dbraw/zinc/61/69/71/217616971.db2.gz QEYWQEVYUCIPRV-GXTWGEPZSA-N 0 0 336.407 2.269 40 0 EEABRN Cc1cnc(-c2nc(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)no2)cn1 ZINC000013227813 211536764 /nfs/dbraw/zinc/53/67/64/211536764.db2.gz ACBGHBGERPIOGM-MFKMUULPSA-N 0 0 327.388 2.197 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1 ZINC000096218421 296276428 /nfs/dbraw/zinc/27/64/28/296276428.db2.gz ROISBYLSMWLHBN-KFWWJZLASA-N 0 0 343.383 2.260 40 0 EEABRN Cn1nc([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c2nccnc21 ZINC000012365132 211356597 /nfs/dbraw/zinc/35/65/97/211356597.db2.gz QSBPDZIBYKEZFP-ZDUSSCGKSA-N 0 0 341.440 2.374 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199843 211318469 /nfs/dbraw/zinc/31/84/69/211318469.db2.gz YTXYCADHDQZVTC-UHFFFAOYSA-N 0 0 344.392 2.165 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)NCCn1cnc(C)cc1=O ZINC000090592381 217942837 /nfs/dbraw/zinc/94/28/37/217942837.db2.gz KWUJQFRZJJKGAQ-UHFFFAOYSA-N 0 0 336.779 2.035 40 0 EEABRN C[C@@H](C(=O)N1CCCCC1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181250 211310955 /nfs/dbraw/zinc/31/09/55/211310955.db2.gz DPESLUXZZWCWKT-NSHDSACASA-N 0 0 332.429 2.128 40 0 EEABRN O=C(Cn1ccnc1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012221881 211323941 /nfs/dbraw/zinc/32/39/41/211323941.db2.gz BDYMAENLXBOXHD-OAHLLOKOSA-N 0 0 327.384 2.072 40 0 EEABRN CC(C)(C)NC(=O)Cn1c2cccnc2n(Cc2cccs2)c1=O ZINC000012117563 211298370 /nfs/dbraw/zinc/29/83/70/211298370.db2.gz FEISKVBAUAOXFZ-UHFFFAOYSA-N 0 0 344.440 2.223 40 0 EEABRN Cc1cc2c(s1)c1cnn(CC(=O)NC3CCCC3)c(=O)c1n2C ZINC000012113555 211293582 /nfs/dbraw/zinc/29/35/82/211293582.db2.gz FMHBHCSZUSLIQH-UHFFFAOYSA-N 0 0 344.440 2.317 40 0 EEABRN C[C@@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)c1ccccc1 ZINC000012145399 211306769 /nfs/dbraw/zinc/30/67/69/211306769.db2.gz WPKLKSVRCMJZEK-GFCCVEGCSA-N 0 0 343.408 2.485 40 0 EEABRN C[C@H]1Nc2ncnn2[C@@H](c2cccnc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000011694911 211237069 /nfs/dbraw/zinc/23/70/69/211237069.db2.gz JGXIELXOFWPWPB-WQVCFCJDSA-N 0 0 334.383 2.331 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(Cl)cc1 ZINC000092504346 218145512 /nfs/dbraw/zinc/14/55/12/218145512.db2.gz ZAYFMMKJMAHAKU-YOEHRIQHSA-N 0 0 346.818 2.015 40 0 EEABRN O=C(CCCNC(=O)c1ccc(Br)cc1F)NC1CC1 ZINC000094908602 218271003 /nfs/dbraw/zinc/27/10/03/218271003.db2.gz YJMYTMFFZWTFLU-UHFFFAOYSA-N 0 0 343.196 2.377 40 0 EEABRN Cc1c(C(=O)N[C@H]2CCCOC2)nnn1-c1ccc(Cl)cc1F ZINC000095401646 218336471 /nfs/dbraw/zinc/33/64/71/218336471.db2.gz PVFIOAJOYTUKSC-NSHDSACASA-N 0 0 338.770 2.277 40 0 EEABRN COc1ncc(Cl)c(NCC[S@@](=O)Cc2ccccc2)n1 ZINC000095426264 218368318 /nfs/dbraw/zinc/36/83/18/218368318.db2.gz QWRWFSMARMAOLF-NRFANRHFSA-N 0 0 325.821 2.499 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039839 218522120 /nfs/dbraw/zinc/52/21/20/218522120.db2.gz ZSUJIFZEZXIXMV-HKUYNNGSSA-N 0 0 332.444 2.463 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC000096063413 218557387 /nfs/dbraw/zinc/55/73/87/218557387.db2.gz LZSJEXDUEGHLCG-RHSMWYFYSA-N 0 0 347.440 2.035 40 0 EEABRN Cc1nc(CN2CCn3cc(CNC(=O)CC4CC4)nc3C2)cs1 ZINC000096068028 218565465 /nfs/dbraw/zinc/56/54/65/218565465.db2.gz NEZNOSMCJFSGSB-UHFFFAOYSA-N 0 0 345.472 2.080 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107830 218601007 /nfs/dbraw/zinc/60/10/07/218601007.db2.gz JYZJFTLCDVCNPA-KDOFPFPSSA-N 0 0 328.368 2.436 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1csc(C)n1 ZINC000096184041 218647046 /nfs/dbraw/zinc/64/70/46/218647046.db2.gz RNHUDKKVLDDNGK-KGLIPLIRSA-N 0 0 345.424 2.369 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000096405567 218755915 /nfs/dbraw/zinc/75/59/15/218755915.db2.gz OBNLYENHJDKURI-SJORKVTESA-N 0 0 348.410 2.265 40 0 EEABRN Cn1cc([C@@H]2NC(=O)CN2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000096405737 218756555 /nfs/dbraw/zinc/75/65/55/218756555.db2.gz KGLUQZHPLJRKMV-LJQANCHMSA-N 0 0 333.395 2.113 40 0 EEABRN COc1cccc(F)c1[C@@H](C)NC(=O)c1sccc1-n1cnnn1 ZINC000096425693 218794496 /nfs/dbraw/zinc/79/44/96/218794496.db2.gz ZQKCSEPJXPWYEK-SECBINFHSA-N 0 0 347.375 2.363 40 0 EEABRN CC(C)C1CCN(C(=O)NCCS(=O)(=O)CC2CCC2)CC1 ZINC000096500886 218876836 /nfs/dbraw/zinc/87/68/36/218876836.db2.gz MFHZJDIUNXRQLH-UHFFFAOYSA-N 0 0 330.494 2.279 40 0 EEABRN COCCn1c(SCC(=O)NCc2ccccc2)nnc1C(C)C ZINC000004879140 210310501 /nfs/dbraw/zinc/31/05/01/210310501.db2.gz IOZWQOPOYDDYIB-UHFFFAOYSA-N 0 0 348.472 2.456 40 0 EEABRN COC(C)(C)C(=O)N1CCOC[C@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257228504 257916545 /nfs/dbraw/zinc/91/65/45/257916545.db2.gz FUDCSCRZWYDBMJ-CQSZACIVSA-N 0 0 331.416 2.005 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1Cl ZINC000004553486 258051034 /nfs/dbraw/zinc/05/10/34/258051034.db2.gz UISFJWYHUSOLPO-CJXOWJITSA-N 0 0 344.798 2.476 40 0 EEABRN C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1cccc(N2CCCC2=O)c1 ZINC000191680718 533616981 /nfs/dbraw/zinc/61/69/81/533616981.db2.gz UQDFBPNHWWFVEI-YCPHGPKFSA-N 0 0 345.443 2.144 40 0 EEABRN Cc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1S(N)(=O)=O ZINC000073906424 292071203 /nfs/dbraw/zinc/07/12/03/292071203.db2.gz UFBSJHIQMQTLJV-UHFFFAOYSA-N 0 0 348.399 2.201 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=S)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000035587841 299777586 /nfs/dbraw/zinc/77/75/86/299777586.db2.gz FPTBIQWATQVRSL-SLEUVZQESA-N 0 0 333.457 2.193 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@H]3C1)[C@@H](C)C2 ZINC000241231195 292360863 /nfs/dbraw/zinc/36/08/63/292360863.db2.gz KSXWBVBPJOKJTP-UDTPNQRGSA-N 0 0 343.471 2.343 40 0 EEABRN COCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1Cl ZINC000257296206 292517752 /nfs/dbraw/zinc/51/77/52/292517752.db2.gz RBSAYLXNFGZSAO-CJNGLKHVSA-N 0 0 338.835 2.401 40 0 EEABRN COC(=O)c1c(CC(C)C)csc1NC(=O)N1CC[C@H](O)C1 ZINC000153588197 533684875 /nfs/dbraw/zinc/68/48/75/533684875.db2.gz RSVUXVKXKZGAJU-NSHDSACASA-N 0 0 326.418 2.332 40 0 EEABRN Cn1nc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)nc1N ZINC000283650344 269551192 /nfs/dbraw/zinc/55/11/92/269551192.db2.gz BDGKGOCUDJIQHB-NSHDSACASA-N 0 0 330.417 2.451 40 0 EEABRN CC(C)(C)n1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)nn1 ZINC000191665245 274049726 /nfs/dbraw/zinc/04/97/26/274049726.db2.gz KEYOIZOAACGVDZ-AWEZNQCLSA-N 0 0 329.404 2.254 40 0 EEABRN COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2ccnc(C)n2)c1 ZINC000257200794 278020840 /nfs/dbraw/zinc/02/08/40/278020840.db2.gz AEYNZULRKATSAS-KRWDZBQOSA-N 0 0 349.394 2.387 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)c1cnc(C2CC2)nc1 ZINC000257338779 278052954 /nfs/dbraw/zinc/05/29/54/278052954.db2.gz YYYIEEWCGFCZLZ-DOTOQJQBSA-N 0 0 342.443 2.217 40 0 EEABRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccnc(-n2cncn2)c1 ZINC000096450798 278881631 /nfs/dbraw/zinc/88/16/31/278881631.db2.gz TWQJHGZZWBAWAA-ZDUSSCGKSA-N 0 0 335.367 2.398 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1noc2c1CCCC2 ZINC000252537747 279983207 /nfs/dbraw/zinc/98/32/07/279983207.db2.gz MFLNGHSBQZHHBZ-JOCQHMNTSA-N 0 0 342.399 2.463 40 0 EEABRN Cc1cn2c(ncc(C(=O)Nc3ccc(C)nc3N(C)C)c2=O)s1 ZINC000089340797 281555586 /nfs/dbraw/zinc/55/55/86/281555586.db2.gz KRUOOOMSKUBGPK-UHFFFAOYSA-N 0 0 343.412 2.086 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000097095295 323320497 /nfs/dbraw/zinc/32/04/97/323320497.db2.gz OKMBWSNOMRTTAQ-FZMZJTMJSA-N 0 0 346.349 2.387 40 0 EEABRN Cc1c(NC(=O)N2CC[C@H](CN3CCOCC3)C2)cccc1N(C)C ZINC000097104102 323321632 /nfs/dbraw/zinc/32/16/32/323321632.db2.gz WBPFWOLEEUAJHS-MRXNPFEDSA-N 0 0 346.475 2.247 40 0 EEABRN COC(=O)[C@H](NCc1nncn1C)c1ccc(Cl)cc1Cl ZINC000097372225 323322430 /nfs/dbraw/zinc/32/24/30/323322430.db2.gz HTJDHTQXOCKPLQ-GFCCVEGCSA-N 0 0 329.187 2.126 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000195580620 323515416 /nfs/dbraw/zinc/51/54/16/323515416.db2.gz LOFCDUSEPWBPDH-RDTXWAMCSA-N 0 0 348.468 2.023 40 0 EEABRN CS(=O)(=O)c1cc(CNC(=O)c2ccc[nH]2)cc(C(F)(F)F)c1 ZINC000390833408 323545552 /nfs/dbraw/zinc/54/55/52/323545552.db2.gz HBYVCMOQCQSNRS-UHFFFAOYSA-N 0 0 346.330 2.367 40 0 EEABRN Cc1sc(=O)n(CCC(=O)NC[C@@](C)(O)c2cccs2)c1C ZINC000077616093 463012743 /nfs/dbraw/zinc/01/27/43/463012743.db2.gz YNHGDDKUBQOSRQ-OAHLLOKOSA-N 0 0 340.470 2.002 40 0 EEABRN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCCCCC3)c2)n[nH]1 ZINC000077710993 463028604 /nfs/dbraw/zinc/02/86/04/463028604.db2.gz OSPOVOOMHCSUDI-UHFFFAOYSA-N 0 0 327.388 2.121 40 0 EEABRN COCC1(CNC(=O)NC2CCC(Oc3cnccn3)CC2)CCC1 ZINC000252487919 464965598 /nfs/dbraw/zinc/96/55/98/464965598.db2.gz IENCSIIZSJMJCS-UHFFFAOYSA-N 0 0 348.447 2.283 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@H]2CCCOc3c(F)cccc32)on1 ZINC000329227370 465273457 /nfs/dbraw/zinc/27/34/57/465273457.db2.gz BDSSGVYUUYTJEZ-AWEZNQCLSA-N 0 0 340.376 2.455 40 0 EEABRN O=C(c1ccc2c(c1)OCCOCCOCCO2)N1CCCCC1 ZINC000000074750 462541312 /nfs/dbraw/zinc/54/13/12/462541312.db2.gz NGDQQZBUXUGUFI-UHFFFAOYSA-N 0 0 335.400 2.117 40 0 EEABRN O=C(C1CC1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000085435943 462546267 /nfs/dbraw/zinc/54/62/67/462546267.db2.gz ROFMZHJWTQPZMB-GFCCVEGCSA-N 0 0 330.306 2.117 40 0 biogenic,in-vitro EEABRN Cc1cc(C)c(C(=O)NCc2nccn2Cc2ccccc2)c(=O)[nH]1 ZINC000074097868 462555455 /nfs/dbraw/zinc/55/54/55/462555455.db2.gz GQBWUGYATVLZHT-UHFFFAOYSA-N 0 0 336.395 2.167 40 0 EEABRN CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000000412042 462559389 /nfs/dbraw/zinc/55/93/89/462559389.db2.gz ASDSOQJSZSJGHL-UHFFFAOYSA-N 0 0 341.234 2.083 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000412343 462559561 /nfs/dbraw/zinc/55/95/61/462559561.db2.gz PPFUSIKWXRRBNB-LBPRGKRZSA-N 0 0 344.864 2.265 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000000428652 462562414 /nfs/dbraw/zinc/56/24/14/462562414.db2.gz DMJQZFNCTRQRDR-UHFFFAOYSA-N 0 0 346.408 2.405 40 0 EEABRN CCOC(=O)c1cc(Br)ccc1NCc1ncnn1C ZINC000086210671 462568356 /nfs/dbraw/zinc/56/83/56/462568356.db2.gz QZUHUMAMPYXARG-UHFFFAOYSA-N 0 0 339.193 2.366 40 0 EEABRN C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2C)C1 ZINC000000905155 462574938 /nfs/dbraw/zinc/57/49/38/462574938.db2.gz QZJOUFGBFZOQJO-LBPRGKRZSA-N 0 0 331.445 2.228 40 0 EEABRN COc1ccc(Cc2cc3c(cc2OCC(=O)N(C)C)OCO3)cc1 ZINC000001581559 462583883 /nfs/dbraw/zinc/58/38/83/462583883.db2.gz SJWFTPUIJQYBGI-UHFFFAOYSA-N 0 0 343.379 2.482 40 0 EEABRN CCOP(=O)(OCC)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OC ZINC000001636630 462584737 /nfs/dbraw/zinc/58/47/37/462584737.db2.gz SRDJUQZKMPKQOH-HJWRWDBZSA-N 0 0 348.317 2.143 40 0 EEABRN CN1CCC[C@H](C(O)(c2ccccc2)c2ccccc2)S1(=O)=O ZINC000002028906 462588583 /nfs/dbraw/zinc/58/85/83/462588583.db2.gz PVFILLLLHRWRTA-QGZVFWFLSA-N 0 0 331.437 2.347 40 0 EEABRN CC(=O)Oc1c2ccccc2n(C)c(=O)c1-c1cc(C)n(C(C)=O)n1 ZINC000003130989 462611612 /nfs/dbraw/zinc/61/16/12/462611612.db2.gz TXGBKNZBZYDXEL-UHFFFAOYSA-N 0 0 339.351 2.296 40 0 EEABRN O[C@@H]1O[C@H]([C@@H]2COC3(CCCCC3)O2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000003471362 462619693 /nfs/dbraw/zinc/61/96/93/462619693.db2.gz DBZINKYMMNBMIR-UYJHQMFVSA-N 0 0 340.416 2.224 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc([S@](C)=O)c1 ZINC000088388898 462625728 /nfs/dbraw/zinc/62/57/28/462625728.db2.gz NWDUJIDUWOCQSZ-YEBMWUKDSA-N 0 0 347.444 2.235 40 0 EEABRN CCOC(=O)COc1ccc(C=O)cc1I ZINC000005598205 462663884 /nfs/dbraw/zinc/66/38/84/462663884.db2.gz IURRDZYXHITMMI-UHFFFAOYSA-N 0 0 334.109 2.046 40 0 EEABRN O=C(Cc1cc[nH]n1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000089369478 462671800 /nfs/dbraw/zinc/67/18/00/462671800.db2.gz VOWYHKBRKYIGJE-AWEZNQCLSA-N 0 0 337.326 2.154 40 0 EEABRN Cn1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1=O ZINC000046479749 462683509 /nfs/dbraw/zinc/68/35/09/462683509.db2.gz HLFDQEYEUJFCJO-UHFFFAOYSA-N 0 0 340.301 2.213 40 0 EEABRN Cc1cccc(C)c1N(CC(=O)NCCC(C)C)S(C)(=O)=O ZINC000006479144 462686400 /nfs/dbraw/zinc/68/64/00/462686400.db2.gz ZEDKQYAMIMAGKS-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN CCOc1cc(C(=O)NC)cc(I)c1OC ZINC000006595511 462691613 /nfs/dbraw/zinc/69/16/13/462691613.db2.gz JJOAMXYTOOALON-UHFFFAOYSA-N 0 0 335.141 2.058 40 0 EEABRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006783151 462704996 /nfs/dbraw/zinc/70/49/96/462704996.db2.gz GEFPUTLTUYNYMB-HNNXBMFYSA-N 0 0 338.473 2.312 40 0 EEABRN CCc1ccc(-n2c(C)nnc2SCC(=O)NCCCOC)cc1 ZINC000006943848 462713211 /nfs/dbraw/zinc/71/32/11/462713211.db2.gz NNZNFFJMOMXRLB-UHFFFAOYSA-N 0 0 348.472 2.383 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000006944846 462713615 /nfs/dbraw/zinc/71/36/15/462713615.db2.gz RRGVUWMIRARPPD-CYBMUJFWSA-N 0 0 342.461 2.074 40 0 EEABRN CCn1c(SCC(=O)OC)nnc1-c1cccc(NC(C)=O)c1 ZINC000007605165 462740762 /nfs/dbraw/zinc/74/07/62/462740762.db2.gz SABMQFYFKNAEKF-UHFFFAOYSA-N 0 0 334.401 2.189 40 0 EEABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000065364308 462758780 /nfs/dbraw/zinc/75/87/80/462758780.db2.gz WMGHIMAKWZKMBQ-VBQJREDUSA-N 0 0 348.468 2.390 40 0 EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000008369081 462781305 /nfs/dbraw/zinc/78/13/05/462781305.db2.gz JJVATEMSHZTACN-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Cc1ccc(-c2nc(C(=O)NCCO)nn2-c2ccc(C)cc2)cc1 ZINC000008476282 462784468 /nfs/dbraw/zinc/78/44/68/462784468.db2.gz GDFPQWYZKSDWPK-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN C[C@H]1CN(CC(=O)NCc2cccnc2)[C@H](c2ccccc2)CO1 ZINC000076147862 462814367 /nfs/dbraw/zinc/81/43/67/462814367.db2.gz XPCZXOXEDQJQRP-YJBOKZPZSA-N 0 0 325.412 2.160 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)n1cncn1 ZINC000091153235 462841505 /nfs/dbraw/zinc/84/15/05/462841505.db2.gz WXGFITRGAXDAAH-BIGNPOOSSA-N 0 0 338.770 2.278 40 0 EEABRN COc1ccccc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000012666156 462862372 /nfs/dbraw/zinc/86/23/72/462862372.db2.gz XAQWBYDZVPWLBI-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN Cc1cccc(NC(=O)C2CCN(c3ccnc(N(C)C)n3)CC2)n1 ZINC000077192155 462949798 /nfs/dbraw/zinc/94/97/98/462949798.db2.gz WXVILDRFKOJEGW-UHFFFAOYSA-N 0 0 340.431 2.101 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(I)s1 ZINC000016575488 462981627 /nfs/dbraw/zinc/98/16/27/462981627.db2.gz KAIULEXVKXODJV-UHFFFAOYSA-N 0 0 331.200 2.039 40 0 EEABRN CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016610175 462984576 /nfs/dbraw/zinc/98/45/76/462984576.db2.gz CLWJFIOFUWVIMD-CQSZACIVSA-N 0 0 326.462 2.147 40 0 EEABRN CC1=C[C@]2(C)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2N=C1 ZINC000017142649 462995798 /nfs/dbraw/zinc/99/57/98/462995798.db2.gz BTFCAJFWZGIFNV-LOUJCGABSA-N 0 0 330.771 2.386 40 0 EEABRN COc1cccc(CS(=O)(=O)c2nnc(N3CCCC3)s2)c1 ZINC000077536780 463002228 /nfs/dbraw/zinc/00/22/28/463002228.db2.gz KYELQPATQXFTAU-UHFFFAOYSA-N 0 0 339.442 2.121 40 0 EEABRN CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019016619 463012379 /nfs/dbraw/zinc/01/23/79/463012379.db2.gz QBPNJXVFMUHMSZ-CQSZACIVSA-N 0 0 344.459 2.133 40 0 EEABRN COCCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612047 463028414 /nfs/dbraw/zinc/02/84/14/463028414.db2.gz ZCWMCJMWTMARJE-UHFFFAOYSA-N 0 0 338.835 2.345 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1ccc(Cl)cc1 ZINC000134381846 463032113 /nfs/dbraw/zinc/03/21/13/463032113.db2.gz LWECEVPSUWUQDW-SWLSCSKDSA-N 0 0 326.824 2.064 40 0 EEABRN C[C@@H](O)[C@@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000095449484 463087009 /nfs/dbraw/zinc/08/70/09/463087009.db2.gz CXGKNKOPJIILQQ-HUUCEWRRSA-N 0 0 342.443 2.064 40 0 EEABRN C[C@H]1CCc2nc(NC(=O)NCCCN3CCOCC3)sc2C1 ZINC000025540985 463129442 /nfs/dbraw/zinc/12/94/42/463129442.db2.gz AYFYXJMHFWKNTQ-LBPRGKRZSA-N 0 0 338.477 2.112 40 0 EEABRN O=C(NCCCN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000078701060 463141256 /nfs/dbraw/zinc/14/12/56/463141256.db2.gz PKNUEMYWVMQZPM-UHFFFAOYSA-N 0 0 331.460 2.129 40 0 EEABRN CCOCCN1Cc2ncn(C)c2[C@H](COCc2cccc(C)n2)C1 ZINC000096045048 463148908 /nfs/dbraw/zinc/14/89/08/463148908.db2.gz HXVHEHWKZAHURY-INIZCTEOSA-N 0 0 344.459 2.276 40 0 EEABRN Cn1cc(CN2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1 ZINC000096046062 463149951 /nfs/dbraw/zinc/14/99/51/463149951.db2.gz VRNHLSMWLMTGTM-RRFJBIMHSA-N 0 0 329.404 2.033 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096048298 463151675 /nfs/dbraw/zinc/15/16/75/463151675.db2.gz KRILEVZBEQLPKO-MJGOQNOKSA-N 0 0 346.427 2.037 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096048273 463152292 /nfs/dbraw/zinc/15/22/92/463152292.db2.gz RYQACGNPYAKVDC-VQIMIIECSA-N 0 0 339.395 2.319 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096054367 463156838 /nfs/dbraw/zinc/15/68/38/463156838.db2.gz OUAFXMIPFMGJHV-CABCVRRESA-N 0 0 347.440 2.078 40 0 EEABRN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccccn2)nc1 ZINC000096058015 463160110 /nfs/dbraw/zinc/16/01/10/463160110.db2.gz SWZJHOSNGFOYQQ-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3S(=O)(=O)c3ccccc3)O2)n1 ZINC000096065324 463163735 /nfs/dbraw/zinc/16/37/35/463163735.db2.gz XDCXNKPTDLWRFL-KFWWJZLASA-N 0 0 349.412 2.061 40 0 EEABRN CNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc(Cl)c(F)c3)C[C@H]2C1 ZINC000096066013 463164578 /nfs/dbraw/zinc/16/45/78/463164578.db2.gz VXQUQMMIRPYXLL-IOASZLSFSA-N 0 0 340.826 2.452 40 0 EEABRN O=C(c1ccno1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1 ZINC000096072367 463165259 /nfs/dbraw/zinc/16/52/59/463165259.db2.gz IJCLFKZROBZPJS-MAUKXSAKSA-N 0 0 328.368 2.265 40 0 EEABRN CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096084453 463170120 /nfs/dbraw/zinc/17/01/20/463170120.db2.gz AFPCTMVHJLDTMO-UHFFFAOYSA-N 0 0 335.411 2.186 40 0 EEABRN Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccccc1 ZINC000096098599 463172157 /nfs/dbraw/zinc/17/21/57/463172157.db2.gz SQTBOKJITARXBU-UHFFFAOYSA-N 0 0 325.416 2.098 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096107709 463175805 /nfs/dbraw/zinc/17/58/05/463175805.db2.gz DWPNWSIYMRMYHQ-WBVHZDCISA-N 0 0 337.441 2.035 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000078991421 463176327 /nfs/dbraw/zinc/17/63/27/463176327.db2.gz KPJMPVNWSZCBOQ-LJISPDSOSA-N 0 0 328.478 2.174 40 0 EEABRN c1csc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)n1 ZINC000096108766 463176535 /nfs/dbraw/zinc/17/65/35/463176535.db2.gz NKHGYZPZRQDLRX-NVXWUHKLSA-N 0 0 338.473 2.035 40 0 EEABRN Cc1cnc(N2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)nc1 ZINC000096158319 463188915 /nfs/dbraw/zinc/18/89/15/463188915.db2.gz NCTLEYPAXIORSP-KRWDZBQOSA-N 0 0 328.395 2.211 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159478 463190512 /nfs/dbraw/zinc/19/05/12/463190512.db2.gz PMZRCYPPPFOABD-LJQANCHMSA-N 0 0 339.395 2.248 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC000096186162 463197177 /nfs/dbraw/zinc/19/71/77/463197177.db2.gz QMHJIXMDKZQUAE-BZSNNMDCSA-N 0 0 342.443 2.154 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 ZINC000096186127 463197914 /nfs/dbraw/zinc/19/79/14/463197914.db2.gz FPEXXUJANKBDHZ-BZSNNMDCSA-N 0 0 342.443 2.154 40 0 EEABRN O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2)O1 ZINC000096186965 463199137 /nfs/dbraw/zinc/19/91/37/463199137.db2.gz FUZFSYXQMHIQEO-ZACQAIPSSA-N 0 0 336.382 2.365 40 0 EEABRN Cc1ccc(CN2Cc3nccn3C[C@H](CN3CCCC3=O)C2)o1 ZINC000096188416 463200339 /nfs/dbraw/zinc/20/03/39/463200339.db2.gz HHWOSNCUXPVQCN-OAHLLOKOSA-N 0 0 328.416 2.039 40 0 EEABRN Cc1ccc(C(=O)N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096202271 463207218 /nfs/dbraw/zinc/20/72/18/463207218.db2.gz BFNMLAXDCUVTTM-IBGZPJMESA-N 0 0 341.411 2.352 40 0 EEABRN CC[C@@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(OC)c(F)c3)CC[C@H]21 ZINC000096207223 463209641 /nfs/dbraw/zinc/20/96/41/463209641.db2.gz ZTMOXGGVXGWLGB-KYOSRNDESA-N 0 0 343.420 2.270 40 0 EEABRN CS(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000054146456 463212615 /nfs/dbraw/zinc/21/26/15/463212615.db2.gz WILNGHFUFVMWIR-UHFFFAOYSA-N 0 0 336.379 2.219 40 0 EEABRN Cc1cccc(N2C[C@]3(CCN(C(=O)c4ccno4)C3)CC2=O)c1 ZINC000096238574 463222882 /nfs/dbraw/zinc/22/28/82/463222882.db2.gz WWWYCVRKBVRXDQ-GOSISDBHSA-N 0 0 325.368 2.252 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)o1 ZINC000096240896 463225507 /nfs/dbraw/zinc/22/55/07/463225507.db2.gz ZXQQBZMWRJXYKZ-HNNXBMFYSA-N 0 0 346.427 2.079 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccccc3F)[C@@H]2C1 ZINC000096244855 463225766 /nfs/dbraw/zinc/22/57/66/463225766.db2.gz UZFSBBNRIKENLA-MAUKXSAKSA-N 0 0 346.427 2.331 40 0 EEABRN CCn1c(=O)ccc2c1CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C2 ZINC000096260642 463231124 /nfs/dbraw/zinc/23/11/24/463231124.db2.gz ODROLFYVQKDOPD-OAHLLOKOSA-N 0 0 346.452 2.012 40 0 EEABRN COCCN(C)C(=O)c1cc(-c2cn(C)c(C)n2)n2ccccc12 ZINC000096266814 463231394 /nfs/dbraw/zinc/23/13/94/463231394.db2.gz SFPBVTSFFSXZHD-UHFFFAOYSA-N 0 0 326.400 2.367 40 0 EEABRN O=C(NC[C@H]1Cn2ccnc2CO1)c1ccc(C(F)(F)F)cc1 ZINC000096269274 463233141 /nfs/dbraw/zinc/23/31/41/463233141.db2.gz RWSRBGLVEDKUGS-LBPRGKRZSA-N 0 0 325.290 2.231 40 0 biogenic,in-vitro EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000096380195 463237353 /nfs/dbraw/zinc/23/73/53/463237353.db2.gz IIXHGJAOLIQQHF-UHFFFAOYSA-N 0 0 344.864 2.305 40 0 EEABRN O=C(NCCNC(=O)c1ccco1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000096405559 463239491 /nfs/dbraw/zinc/23/94/91/463239491.db2.gz WJYYUAYQVLZBQS-HUUCEWRRSA-N 0 0 327.384 2.112 40 0 EEABRN CN(C(=O)C1(C)CCOCC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000096406499 463240317 /nfs/dbraw/zinc/24/03/17/463240317.db2.gz PUUUEVAPZAYJAL-MRXNPFEDSA-N 0 0 330.428 2.457 40 0 EEABRN CC(=O)Nc1cccc(Cn2cc(I)cn2)c1 ZINC000096413713 463246109 /nfs/dbraw/zinc/24/61/09/463246109.db2.gz FTTUGCBIFHDCKI-UHFFFAOYSA-N 0 0 341.152 2.494 40 0 EEABRN O=C(CCc1ccco1)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414541 463247269 /nfs/dbraw/zinc/24/72/69/463247269.db2.gz VWKPJJDHUSXTSF-UHFFFAOYSA-N 0 0 328.294 2.249 40 0 EEABRN CC[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1cc(F)ccc1F ZINC000096419892 463251319 /nfs/dbraw/zinc/25/13/19/463251319.db2.gz VAULTLLKDUHQSA-ZIAGYGMSSA-N 0 0 325.359 2.384 40 0 EEABRN Cn1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000096420016 463251985 /nfs/dbraw/zinc/25/19/85/463251985.db2.gz QPMRIMIXUOMTTP-GFCCVEGCSA-N 0 0 328.199 2.119 40 0 EEABRN C[C@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1csc(C2CC2)n1 ZINC000096421571 463253220 /nfs/dbraw/zinc/25/32/20/463253220.db2.gz MRLYQQQLRDKXSV-MGPLVRAMSA-N 0 0 349.460 2.022 40 0 EEABRN Cn1cc(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000096423035 463253948 /nfs/dbraw/zinc/25/39/48/463253948.db2.gz QBUGKOONAMOVCU-AWEZNQCLSA-N 0 0 332.835 2.401 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(=O)[nH]n1 ZINC000096423814 463254240 /nfs/dbraw/zinc/25/42/40/463254240.db2.gz FZETZQADPSVAQQ-LLVKDONJSA-N 0 0 332.791 2.234 40 0 EEABRN Cc1ccc(CNC(=O)c2cc(N3CCNC3=O)c(F)cc2F)n1C ZINC000096426135 463256271 /nfs/dbraw/zinc/25/62/71/463256271.db2.gz RORLUCUWOFUEQH-UHFFFAOYSA-N 0 0 348.353 2.071 40 0 EEABRN CSCCCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096428089 463257897 /nfs/dbraw/zinc/25/78/97/463257897.db2.gz LUGZMFFBJKWLQP-UHFFFAOYSA-N 0 0 329.422 2.043 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@H](C)c2c(F)cccc2OC)cn1 ZINC000096428545 463258445 /nfs/dbraw/zinc/25/84/45/463258445.db2.gz GWDCNTWVEMPRBJ-SNVBAGLBSA-N 0 0 327.381 2.090 40 0 EEABRN Cc1cc2c(cc1C)O[C@@H](C(=O)NCCc1cn3c(n1)CCCC3)C2 ZINC000096430578 463260539 /nfs/dbraw/zinc/26/05/39/463260539.db2.gz XLJDBJROFNFLRD-GOSISDBHSA-N 0 0 339.439 2.499 40 0 EEABRN NC(=O)c1csc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1 ZINC000096432812 463261534 /nfs/dbraw/zinc/26/15/34/463261534.db2.gz ZXFHAXDSRHVYCU-UHFFFAOYSA-N 0 0 349.359 2.295 40 0 EEABRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NN3CCOCC3)cc2)no1 ZINC000096435956 463263929 /nfs/dbraw/zinc/26/39/29/463263929.db2.gz JEPVHROHSIBFSP-UHFFFAOYSA-N 0 0 344.415 2.302 40 0 EEABRN C[S@@](=O)C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000096449706 463272092 /nfs/dbraw/zinc/27/20/92/463272092.db2.gz GWNGCYFXZGKASZ-HJPURHCSSA-N 0 0 327.409 2.413 40 0 EEABRN CCn1c(Cc2ccccc2)nnc1S(=O)(=O)C[C@H]1CCCCO1 ZINC000096451862 463273068 /nfs/dbraw/zinc/27/30/68/463273068.db2.gz ARCFYNRZWOVGFT-OAHLLOKOSA-N 0 0 349.456 2.232 40 0 EEABRN CCOc1cccnc1C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000096451167 463273177 /nfs/dbraw/zinc/27/31/77/463273177.db2.gz BKNWKKOXZXJOSF-UHFFFAOYSA-N 0 0 346.456 2.203 40 0 EEABRN C[C@@H](CNC(=O)c1csnn1)Oc1ccccc1Br ZINC000096451776 463273289 /nfs/dbraw/zinc/27/32/89/463273289.db2.gz CJCKHAHSCFMJCL-QMMMGPOBSA-N 0 0 342.218 2.498 40 0 EEABRN CC(C)(CNC(=O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000096455189 463275401 /nfs/dbraw/zinc/27/54/01/463275401.db2.gz QVEITNRJCVAEIA-UHFFFAOYSA-N 0 0 337.221 2.135 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CCCN2c2nccs2)c(C)o1 ZINC000096459290 463276343 /nfs/dbraw/zinc/27/63/43/463276343.db2.gz GTLXEFAOCACHSK-WMLDXEAASA-N 0 0 349.456 2.346 40 0 EEABRN CN(CCCNC(=O)N1CCSC(C)(C)C1)CC(F)(F)F ZINC000096459714 463276894 /nfs/dbraw/zinc/27/68/94/463276894.db2.gz OEVDVIFHOSOKEU-UHFFFAOYSA-N 0 0 327.416 2.408 40 0 EEABRN O=C(NCC1(O)CCSCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000096475087 463279665 /nfs/dbraw/zinc/27/96/65/463279665.db2.gz NFZXDFVJFRNYQF-UHFFFAOYSA-N 0 0 336.388 2.469 40 0 EEABRN C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000096487675 463284637 /nfs/dbraw/zinc/28/46/37/463284637.db2.gz YDZMZQGYLMJYLR-GHMZBOCLSA-N 0 0 342.798 2.109 40 0 EEABRN O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2ccco2)CC1 ZINC000096489509 463285219 /nfs/dbraw/zinc/28/52/19/463285219.db2.gz FMUBZWIYUZPFMP-UHFFFAOYSA-N 0 0 338.404 2.315 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000055111458 463286352 /nfs/dbraw/zinc/28/63/52/463286352.db2.gz ACSIDUZMVNHUDA-MRXNPFEDSA-N 0 0 346.452 2.377 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000096493869 463287608 /nfs/dbraw/zinc/28/76/08/463287608.db2.gz LLSHIWYCABXPPA-SFHVURJKSA-N 0 0 342.443 2.304 40 0 EEABRN Cc1occc1CN(C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000096495481 463289526 /nfs/dbraw/zinc/28/95/26/463289526.db2.gz HIJVEEBYYBAAFN-KRWDZBQOSA-N 0 0 337.441 2.331 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000097095059 463321599 /nfs/dbraw/zinc/32/15/99/463321599.db2.gz XNTCOOOPRCOQFE-XGWLTEMNSA-N 0 0 336.407 2.384 40 0 EEABRN O=C(NCc1ccc2c(c1)CCC2)N1CCCN(C(=O)C2CC2)CC1 ZINC000097102881 463324012 /nfs/dbraw/zinc/32/40/12/463324012.db2.gz NOTAUSAZPHPDGO-UHFFFAOYSA-N 0 0 341.455 2.329 40 0 EEABRN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)C(=O)OC(C)(C)C)N1 ZINC000032100736 463364986 /nfs/dbraw/zinc/36/49/86/463364986.db2.gz QOYMFBXOOBPOFG-ZDUSSCGKSA-N 0 0 338.326 2.358 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCC1CCN(c2cnccn2)CC1 ZINC000070930307 463394368 /nfs/dbraw/zinc/39/43/68/463394368.db2.gz XILYCZOBDVKYNK-UHFFFAOYSA-N 0 0 328.391 2.191 40 0 EEABRN Cc1cc(Cl)cc(Cl)c1CNc1cc(=O)n(C)c(=O)n1C ZINC000041076629 463465789 /nfs/dbraw/zinc/46/57/89/463465789.db2.gz ZFUHXZMYVYOAGD-UHFFFAOYSA-N 0 0 328.199 2.311 40 0 EEABRN NC(=O)c1cccc(Nc2ncnc3c2cnn3-c2ccccn2)c1 ZINC000041529392 463491749 /nfs/dbraw/zinc/49/17/49/463491749.db2.gz OOWLRNCBBADRHN-UHFFFAOYSA-N 0 0 331.339 2.053 40 0 EEABRN Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000041616204 463496551 /nfs/dbraw/zinc/49/65/51/463496551.db2.gz RAJADCPFBIRAIH-UHFFFAOYSA-N 0 0 343.412 2.388 40 0 EEABRN CCN1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000057748256 463516202 /nfs/dbraw/zinc/51/62/02/463516202.db2.gz SMDOBAAABJJUFM-UHFFFAOYSA-N 0 0 330.407 2.406 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000163026962 463558265 /nfs/dbraw/zinc/55/82/65/463558265.db2.gz WTFASLRYCMXKKK-OAHLLOKOSA-N 0 0 339.443 2.133 40 0 EEABRN Cc1ccc(N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)nn1 ZINC000107204606 463561644 /nfs/dbraw/zinc/56/16/44/463561644.db2.gz NWWCQYLDGBPJLF-NUJGCVRESA-N 0 0 328.416 2.246 40 0 EEABRN CCc1cnc(N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 ZINC000107228190 463562728 /nfs/dbraw/zinc/56/27/28/463562728.db2.gz BMMYUXKKKARFMJ-QAPCUYQASA-N 0 0 341.415 2.036 40 0 EEABRN CN(C)C(=O)[C@@H]1CN(CCOc2ccccc2)c2ccccc2O1 ZINC000058289949 463569233 /nfs/dbraw/zinc/56/92/33/463569233.db2.gz PBNXRBITISUIIF-SFHVURJKSA-N 0 0 326.396 2.421 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000107711175 463579902 /nfs/dbraw/zinc/57/99/02/463579902.db2.gz CQMHYSBABCJYRD-IRXDYDNUSA-N 0 0 339.457 2.201 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000059516220 463644564 /nfs/dbraw/zinc/64/45/64/463644564.db2.gz ZDYGZEYKTGZYRS-CQSZACIVSA-N 0 0 326.396 2.231 40 0 EEABRN O=C(COc1ccccc1F)NCC1CCN(c2ncccn2)CC1 ZINC000043977089 463664125 /nfs/dbraw/zinc/66/41/25/463664125.db2.gz TVZANVLLZWGGLM-UHFFFAOYSA-N 0 0 344.390 2.027 40 0 EEABRN CN(C)C(=O)CN1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257210109 463756566 /nfs/dbraw/zinc/75/65/66/463756566.db2.gz BTEUNUWXBSEWRE-IKGGRYGDSA-N 0 0 347.434 2.088 40 0 EEABRN Cc1ocnc1C(=O)N1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257280527 463760409 /nfs/dbraw/zinc/76/04/09/463760409.db2.gz OLFNZXMTPVGKJH-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN Cc1nc(CC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cs1 ZINC000257287575 463762745 /nfs/dbraw/zinc/76/27/45/463762745.db2.gz PQNHXEPROKFPDL-AWEZNQCLSA-N 0 0 332.429 2.342 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cncs2)nc1 ZINC000257298924 463767476 /nfs/dbraw/zinc/76/74/76/463767476.db2.gz RNWKCYKKXHVNDJ-CQSZACIVSA-N 0 0 330.413 2.152 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2ccc(OC)nc2)nc(C)n1 ZINC000257297779 463767803 /nfs/dbraw/zinc/76/78/03/463767803.db2.gz RITKTSMSUQQRIV-AWEZNQCLSA-N 0 0 327.388 2.208 40 0 EEABRN CCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1OC ZINC000257299839 463769149 /nfs/dbraw/zinc/76/91/49/463769149.db2.gz RRUOCWVDVHDBET-QAPCUYQASA-N 0 0 348.443 2.148 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](c3ccncn3)C2)o1 ZINC000257306119 463770226 /nfs/dbraw/zinc/77/02/26/463770226.db2.gz SSZSNBPEVZRCAA-CYBMUJFWSA-N 0 0 329.404 2.322 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)cc(C(N)=O)n1 ZINC000257305301 463770901 /nfs/dbraw/zinc/77/09/01/463770901.db2.gz SPIDPRHKPBJTDA-LBPRGKRZSA-N 0 0 344.440 2.040 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2ccsc2)n1 ZINC000257316552 463774422 /nfs/dbraw/zinc/77/44/22/463774422.db2.gz VGBFBLFUMCEUJD-MRXNPFEDSA-N 0 0 344.440 2.080 40 0 EEABRN CN(CC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325198 463778542 /nfs/dbraw/zinc/77/85/42/463778542.db2.gz WRXNHTHRCANPIO-OAHLLOKOSA-N 0 0 330.457 2.376 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2c(C)noc2C)n1 ZINC000257333885 463782497 /nfs/dbraw/zinc/78/24/97/463782497.db2.gz YDNGRLQGOCUQHB-INIZCTEOSA-N 0 0 342.399 2.300 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257337792 463784083 /nfs/dbraw/zinc/78/40/83/463784083.db2.gz YUKPQOFXJJOFKT-AWEZNQCLSA-N 0 0 338.415 2.123 40 0 EEABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257337457 463784811 /nfs/dbraw/zinc/78/48/11/463784811.db2.gz YSVGVEOWOPWECU-GOSISDBHSA-N 0 0 329.444 2.264 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2noc(C)c2COC)nc(C)n1 ZINC000257342830 463787390 /nfs/dbraw/zinc/78/73/90/463787390.db2.gz ZQHZVOGDFMDZKN-CQSZACIVSA-N 0 0 345.403 2.247 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCN(C(=O)c2ccnc(N3CCCC3)c2)C1 ZINC000257343448 463787679 /nfs/dbraw/zinc/78/76/79/463787679.db2.gz ZTBZKFSOMXSFHG-HNNXBMFYSA-N 0 0 325.416 2.343 40 0 EEABRN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1nc(-c2ccco2)cc(N)c1=O ZINC000257366546 463791031 /nfs/dbraw/zinc/79/10/31/463791031.db2.gz FAEMBUTTZRVJSV-UPJWGTAASA-N 0 0 344.415 2.151 40 0 EEABRN C[C@@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1n1ccnc1 ZINC000194208976 463814299 /nfs/dbraw/zinc/81/42/99/463814299.db2.gz WZHWBANBXYIEBW-HIFRSBDPSA-N 0 0 336.399 2.392 40 0 EEABRN C[C@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000194209024 463814752 /nfs/dbraw/zinc/81/47/52/463814752.db2.gz WZHWBANBXYIEBW-DZGCQCFKSA-N 0 0 336.399 2.392 40 0 EEABRN Cn1c(=O)c2ccccc2nc1CN1CCC(O)(c2ccccc2)CC1 ZINC000185485138 463831340 /nfs/dbraw/zinc/83/13/40/463831340.db2.gz PRMVDRNAOUHSRE-UHFFFAOYSA-N 0 0 349.434 2.417 40 0 EEABRN Cn1cc(CC(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cn1 ZINC000195236536 464022019 /nfs/dbraw/zinc/02/20/19/464022019.db2.gz SHTJWENKEAZLGQ-UHFFFAOYSA-N 0 0 344.396 2.372 40 0 EEABRN COc1ccc(CS(=O)(=O)CC(=O)NC(C)(C)C)cc1Cl ZINC000179162039 464071257 /nfs/dbraw/zinc/07/12/57/464071257.db2.gz BKYFXEGHTLBGKQ-UHFFFAOYSA-N 0 0 333.837 2.178 40 0 EEABRN CC(C)=CC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220863481 464119858 /nfs/dbraw/zinc/11/98/58/464119858.db2.gz XUQFPXNUYUYHDO-ZDUSSCGKSA-N 0 0 327.388 2.274 40 0 EEABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222822886 464133427 /nfs/dbraw/zinc/13/34/27/464133427.db2.gz PKKYPWDONRRWBT-LRDDRELGSA-N 0 0 338.835 2.372 40 0 EEABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000222911498 464135046 /nfs/dbraw/zinc/13/50/46/464135046.db2.gz IBRNDYPRRXAQPO-CQSZACIVSA-N 0 0 338.423 2.352 40 0 EEABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 ZINC000223295539 464140303 /nfs/dbraw/zinc/14/03/03/464140303.db2.gz FNRVUEQYFTYAOC-UHFFFAOYSA-N 0 0 348.424 2.222 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000223285858 464141161 /nfs/dbraw/zinc/14/11/61/464141161.db2.gz ZTZQJQGUDRWOLP-FMIVXFBMSA-N 0 0 344.436 2.233 40 0 EEABRN CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223634473 464145550 /nfs/dbraw/zinc/14/55/50/464145550.db2.gz HEIINJDIWPEEGW-HOTGVXAUSA-N 0 0 330.457 2.258 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1C ZINC000224154596 464148070 /nfs/dbraw/zinc/14/80/70/464148070.db2.gz FHGXUKJMODQGRD-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000224092464 464148467 /nfs/dbraw/zinc/14/84/67/464148467.db2.gz DDMJATOEBNOUDG-MRXNPFEDSA-N 0 0 348.424 2.266 40 0 EEABRN CCN(CC)Cc1nc(C2(O)CCN(C(=O)C(C)C)CC2)cs1 ZINC000225464384 464162215 /nfs/dbraw/zinc/16/22/15/464162215.db2.gz UMGYWPSTWAVPCV-UHFFFAOYSA-N 0 0 339.505 2.451 40 0 biogenic,in-vitro EEABRN C[C@@H](Nc1cc(N2CCOCC2)ncn1)[C@H]1COc2ccccc21 ZINC000225482946 464164919 /nfs/dbraw/zinc/16/49/19/464164919.db2.gz QTTYDJMOJCYHCF-UKRRQHHQSA-N 0 0 326.400 2.290 40 0 EEABRN O=C(CC1CCC2(CC1)OCCO2)NCCc1cn2c(n1)CCCC2 ZINC000225562129 464171808 /nfs/dbraw/zinc/17/18/08/464171808.db2.gz XAEDIZLQAHIRBK-UHFFFAOYSA-N 0 0 347.459 2.202 40 0 EEABRN CCOC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225646978 464177708 /nfs/dbraw/zinc/17/77/08/464177708.db2.gz GBKQZEGTUSUBGQ-UHFFFAOYSA-N 0 0 334.416 2.441 40 0 EEABRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3=NO[C@@H](C)C3)C2)c1 ZINC000240707728 464448307 /nfs/dbraw/zinc/44/83/07/464448307.db2.gz HQDSSPYJDVMROJ-KBPBESRZSA-N 0 0 344.415 2.477 40 0 EEABRN CC(C)Cc1nsc(N2CCC([C@@H](O)c3nccn3C)CC2)n1 ZINC000241124121 464450599 /nfs/dbraw/zinc/45/05/99/464450599.db2.gz JFUBWMGBPVIARS-CQSZACIVSA-N 0 0 335.477 2.420 40 0 EEABRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)CCC(F)(F)F ZINC000241466113 464453056 /nfs/dbraw/zinc/45/30/56/464453056.db2.gz NUYKOAWCHPKJBK-UHFFFAOYSA-N 0 0 336.335 2.290 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000243478730 464459869 /nfs/dbraw/zinc/45/98/69/464459869.db2.gz NNICWXSNBVTAIN-UHFFFAOYSA-N 0 0 348.443 2.328 40 0 EEABRN O=C(Cc1ccccn1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000247855375 464710301 /nfs/dbraw/zinc/71/03/01/464710301.db2.gz KJAKGYJSZRIERM-GOSISDBHSA-N 0 0 340.427 2.221 40 0 EEABRN c1cncc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)c1 ZINC000247917644 464715452 /nfs/dbraw/zinc/71/54/52/464715452.db2.gz BREIVCMIJOKYGN-SFHVURJKSA-N 0 0 332.444 2.258 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](OCc2cccnc2)CS3)n(C)n1 ZINC000248033716 464724882 /nfs/dbraw/zinc/72/48/82/464724882.db2.gz LXKQWGIVLNTTET-KRWDZBQOSA-N 0 0 344.484 2.400 40 0 EEABRN CO[C@H]1CC[C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191424505 464814729 /nfs/dbraw/zinc/81/47/29/464814729.db2.gz WKKRTPYYEFIKNL-HOTGVXAUSA-N 0 0 332.448 2.226 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCC(n3cncn3)CC2)sc1Cl ZINC000191920090 464832400 /nfs/dbraw/zinc/83/24/00/464832400.db2.gz YVOJCFCKNWLKMQ-UHFFFAOYSA-N 0 0 346.865 2.327 40 0 EEABRN C[C@H]1CN(C(=O)N[C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000192206666 464885506 /nfs/dbraw/zinc/88/55/06/464885506.db2.gz NFYAISLARXBYIR-AAEUAGOBSA-N 0 0 342.486 2.202 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)NCCCC(C)(C)CO)CCO2)n1 ZINC000252478995 464959396 /nfs/dbraw/zinc/95/93/96/464959396.db2.gz AYWUYANVGDJVOM-ZDUSSCGKSA-N 0 0 341.477 2.333 40 0 EEABRN COc1ccc(CN(C)C(=O)c2cnc([C@@H](C)O)s2)c(OC)c1 ZINC000252482112 464960171 /nfs/dbraw/zinc/96/01/71/464960171.db2.gz CYPDJNKZCJBZIH-SNVBAGLBSA-N 0 0 336.413 2.486 40 0 EEABRN CCOc1ccccc1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000252497814 464969625 /nfs/dbraw/zinc/96/96/25/464969625.db2.gz QRGBSDQGJXNVLJ-UHFFFAOYSA-N 0 0 325.430 2.057 40 0 EEABRN C[C@H](CC(N)=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000252502175 464972348 /nfs/dbraw/zinc/97/23/48/464972348.db2.gz UNDHFUORRMHINF-SECBINFHSA-N 0 0 345.212 2.149 40 0 EEABRN Cc1nccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n1 ZINC000252507642 464973454 /nfs/dbraw/zinc/97/34/54/464973454.db2.gz WQKPGKMTCMMRIM-VJUNAUMWSA-N 0 0 332.448 2.256 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCCOCC3)CCO2)n1 ZINC000252505418 464973964 /nfs/dbraw/zinc/97/39/64/464973964.db2.gz VRIJEHYRNMMANW-OLZOCXBDSA-N 0 0 325.434 2.104 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)N[C@H](C)C[S@@](C)=O)CCO2)cc1 ZINC000252539857 464983071 /nfs/dbraw/zinc/98/30/71/464983071.db2.gz ONQQXDGMIVXGBZ-PPWXJAPKSA-N 0 0 338.473 2.099 40 0 EEABRN O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(Br)o1 ZINC000253397765 465000599 /nfs/dbraw/zinc/00/05/99/465000599.db2.gz FZAMDSUMAVHASM-WCABBAIRSA-N 0 0 330.178 2.108 40 0 EEABRN O=C(NCc1ccc(C(F)F)cc1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000298554240 465431470 /nfs/dbraw/zinc/43/14/70/465431470.db2.gz ZZESOLAJFWTQTA-GFCCVEGCSA-N 0 0 337.330 2.025 40 0 EEABRN Cn1cc(CN2Cc3cccn3[C@H](COCc3ccccn3)C2)cn1 ZINC000306131601 466490980 /nfs/dbraw/zinc/49/09/80/466490980.db2.gz KJRFPZOVICIZEA-IBGZPJMESA-N 0 0 337.427 2.390 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ncn(CC4CC4)c(=O)c3CC2)cc1 ZINC000306133411 466491342 /nfs/dbraw/zinc/49/13/42/466491342.db2.gz MKLMQLIOURFRJS-UHFFFAOYSA-N 0 0 337.423 2.203 40 0 EEABRN CCOCCCNC(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 ZINC000306143673 466494103 /nfs/dbraw/zinc/49/41/03/466494103.db2.gz YINFLUJNJHIROH-HNNXBMFYSA-N 0 0 330.432 2.257 40 0 EEABRN CCOCC[C@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000306144930 466496446 /nfs/dbraw/zinc/49/64/46/466496446.db2.gz ZSNKTFXFAUGPKI-HNNXBMFYSA-N 0 0 339.457 2.201 40 0 EEABRN CCOc1ccc(Br)cc1[C@@H]1CC(=O)N=C2N=CNN21 ZINC000409371492 466687874 /nfs/dbraw/zinc/68/78/74/466687874.db2.gz WUIAUXFYGOGRFW-JTQLQIEISA-N 0 0 337.177 2.024 40 0 EEABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)c4cc[nH]n4)C3)C2)n1 ZINC000575403740 468141967 /nfs/dbraw/zinc/14/19/67/468141967.db2.gz NKDXYLXBYSWLBI-AWEZNQCLSA-N 0 0 344.440 2.030 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC000575605400 468145343 /nfs/dbraw/zinc/14/53/43/468145343.db2.gz OZRAWTQZPABUCH-CQSZACIVSA-N 0 0 330.388 2.084 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)c1 ZINC000575604662 468145908 /nfs/dbraw/zinc/14/59/08/468145908.db2.gz BYXDUWLRPSPLIY-MRXNPFEDSA-N 0 0 344.390 2.365 40 0 EEABRN CCOc1cccc(C(=O)N2C[C@@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093144 468963069 /nfs/dbraw/zinc/96/30/69/468963069.db2.gz FASKSPGIXVDHFZ-MRXNPFEDSA-N 0 0 338.354 2.073 40 0 EEABRN Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)[nH]n1 ZINC000585096856 468964083 /nfs/dbraw/zinc/96/40/83/468964083.db2.gz BQSFWKRPHJMTOM-CQSZACIVSA-N 0 0 344.463 2.073 40 0 EEABRN Cc1occc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@@H]1C ZINC000585096870 468964742 /nfs/dbraw/zinc/96/47/42/468964742.db2.gz BSXJVIXIFRYKGP-LBPRGKRZSA-N 0 0 344.415 2.193 40 0 EEABRN c1coc(CN2Cc3ccnn3CC[C@H]2COc2ncccn2)c1 ZINC000585097687 468965029 /nfs/dbraw/zinc/96/50/29/468965029.db2.gz PNOBVTNVJVPQIZ-HNNXBMFYSA-N 0 0 325.372 2.120 40 0 EEABRN Cc1c(CN2Cc3ccnn3CC[C@H]2COCC2CC2)cnn1C ZINC000585097664 468965579 /nfs/dbraw/zinc/96/55/79/468965579.db2.gz PEBWXYJSSOBITA-SFHVURJKSA-N 0 0 329.448 2.126 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C ZINC000585098225 468967824 /nfs/dbraw/zinc/96/78/24/468967824.db2.gz SJOYPXBMWOTAGH-DVOMOZLQSA-N 0 0 344.459 2.044 40 0 EEABRN CC(C)OC(=O)NC[C@H]1CCC2(CCN(c3cnccn3)CC2)CO1 ZINC000585101125 468969258 /nfs/dbraw/zinc/96/92/58/468969258.db2.gz GDQBNUGSXNAMHE-OAHLLOKOSA-N 0 0 348.447 2.377 40 0 EEABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)[C@H]2CCCO2)C3)s1 ZINC000585101851 468969300 /nfs/dbraw/zinc/96/93/00/468969300.db2.gz IZTYWGHSDCZWBA-NVXWUHKLSA-N 0 0 335.473 2.197 40 0 EEABRN CN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000585102762 468970699 /nfs/dbraw/zinc/97/06/99/468970699.db2.gz GTCOVCLOFJCAND-VQIMIIECSA-N 0 0 332.419 2.475 40 0 EEABRN O=C(c1cccs1)N1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000585103439 468970832 /nfs/dbraw/zinc/97/08/32/468970832.db2.gz WGCNCPPYNUDZCB-KSSFIOAISA-N 0 0 348.468 2.239 40 0 EEABRN Cc1cccnc1CN1CCO[C@H]2CN(C(=O)OC(C)C)CC[C@@H]21 ZINC000585107840 468971473 /nfs/dbraw/zinc/97/14/73/468971473.db2.gz QWPOKRKBTSXWBE-IRXDYDNUSA-N 0 0 333.432 2.210 40 0 EEABRN Cn1c(NC(=O)c2cnn(-c3ccccc3F)c2)nnc1C1CC1 ZINC000585113376 468976550 /nfs/dbraw/zinc/97/65/50/468976550.db2.gz WAYBUPNESWBLKA-UHFFFAOYSA-N 0 0 326.335 2.270 40 0 EEABRN CN(C)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl ZINC000585140564 468989147 /nfs/dbraw/zinc/98/91/47/468989147.db2.gz HATOQUAQAJQTLW-UHFFFAOYSA-N 0 0 342.848 2.429 40 0 EEABRN COC(=O)C[C@@H]1Cc2ccccc2N1C(=O)c1ncn(C(C)(C)C)n1 ZINC000585141690 468992066 /nfs/dbraw/zinc/99/20/66/468992066.db2.gz WXRSQLWHVSKNJE-ZDUSSCGKSA-N 0 0 342.399 2.168 40 0 EEABRN CO[C@H]1CCCN(C(=O)Cc2nonc2C)[C@H]1Cc1ccccc1F ZINC000585279146 469004309 /nfs/dbraw/zinc/00/43/09/469004309.db2.gz WBWBESFHYLNLOY-IRXDYDNUSA-N 0 0 347.390 2.308 40 0 EEABRN O=C(Cc1cccnc1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585278868 469004421 /nfs/dbraw/zinc/00/44/21/469004421.db2.gz HYISKTJBWKIEFQ-SJLPKXTDSA-N 0 0 328.387 2.215 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000223899606 485533704 /nfs/dbraw/zinc/53/37/04/485533704.db2.gz DHQKGQRZSDKIHJ-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN Cc1nc(CN(C)[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)no1 ZINC000183717547 534346474 /nfs/dbraw/zinc/34/64/74/534346474.db2.gz VRZGBWSBZFVNNK-ZDUSSCGKSA-N 0 0 338.770 2.408 40 0 EEABRN CCCN1CCCN(C(=O)N[C@H](CC)c2c(C)noc2C)CC1=O ZINC000190229556 528212684 /nfs/dbraw/zinc/21/26/84/528212684.db2.gz CNCWIVFIZSLTRL-CQSZACIVSA-N 0 0 336.436 2.396 40 0 EEABRN CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709391 528331727 /nfs/dbraw/zinc/33/17/27/528331727.db2.gz RZIFUUVAPTZLIP-UHFFFAOYSA-N 0 0 339.395 2.081 40 0 EEABRN CCOc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)NC(C)C ZINC000408700813 528398778 /nfs/dbraw/zinc/39/87/78/528398778.db2.gz MISGMDYVMRTJCP-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1C ZINC000408623852 528444166 /nfs/dbraw/zinc/44/41/66/528444166.db2.gz QCOWJEFQAMMGRQ-UHFFFAOYSA-N 0 0 347.440 2.008 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)ccn1 ZINC000257211576 536145221 /nfs/dbraw/zinc/14/52/21/536145221.db2.gz BZKCQQCIRSMFQN-AWEZNQCLSA-N 0 0 347.850 2.404 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 ZINC000257203862 536421461 /nfs/dbraw/zinc/42/14/61/536421461.db2.gz ARYUYIXUUYVDIZ-ZDUSSCGKSA-N 0 0 331.445 2.498 40 0 EEABRN Cc1cc(C(F)(F)F)nn1CCNc1nc(C)nc2c1cnn2C ZINC000895426038 684594978 /nfs/dbraw/zinc/59/49/78/684594978.db2.gz OETFGSOOTNAOGB-UHFFFAOYSA-N 0 0 339.325 2.308 40 0 EEABRN CCCn1c(O)c(C(=O)NC[C@@H]2CCCO2)c(=O)c2ccccc21 ZINC000006493386 1351804686 /nfs/dbraw/zinc/80/46/86/1351804686.db2.gz GPWSCRGDQHUMLW-LBPRGKRZSA-N 0 0 330.384 2.026 40 0 EEABRN CCn1cc(Cl)cc1C(=O)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000901512183 1369939061 /nfs/dbraw/zinc/93/90/61/1369939061.db2.gz DVWJGFFSOMSGNZ-UHFFFAOYSA-N 0 0 341.839 2.173 40 0 EEABRN O=C(N1CCOCCOCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000137498597 1405356930 /nfs/dbraw/zinc/35/69/30/1405356930.db2.gz LSXFLHKMVJFYQN-UHFFFAOYSA-N 0 0 337.460 2.095 40 0 EEABRN COc1cccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1 ZINC000055546884 214328425 /nfs/dbraw/zinc/32/84/25/214328425.db2.gz JXJRGXBFVZUYCW-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CC[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1c(C)noc1C ZINC000190338881 529526745 /nfs/dbraw/zinc/52/67/45/529526745.db2.gz IEKVNHLKJZURJH-OFQRWUPVSA-N 0 0 347.419 2.305 40 0 EEABRN CCCOCC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000065560282 214960190 /nfs/dbraw/zinc/96/01/90/214960190.db2.gz FTXJQUPDCDBSQC-UHFFFAOYSA-N 0 0 330.178 2.221 40 0 EEABRN O=C(NCCc1ccccn1)C(=O)Nc1ccc(Br)cc1 ZINC000042645819 213521414 /nfs/dbraw/zinc/52/14/14/213521414.db2.gz MFOGWXMOAMLRAM-UHFFFAOYSA-N 0 0 348.200 2.142 40 0 EEABRN COCCCNC(=S)Nc1ncn(Cc2ccccc2Cl)n1 ZINC000002782349 209911163 /nfs/dbraw/zinc/91/11/63/209911163.db2.gz ZZRFHPYHQLBOJF-UHFFFAOYSA-N 0 0 339.852 2.303 40 0 EEABRN COc1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1 ZINC000069078941 215358830 /nfs/dbraw/zinc/35/88/30/215358830.db2.gz XWHNDIXVUSFSOG-UHFFFAOYSA-N 0 0 325.361 2.192 40 0 EEABRN CCc1nn2c(ncc3c2ccn(CCO)c3=O)c1-c1ccccc1 ZINC000040387816 213295762 /nfs/dbraw/zinc/29/57/62/213295762.db2.gz LMONXHKFXPHDLN-UHFFFAOYSA-N 0 0 334.379 2.266 40 0 EEABRN COc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccncc2)cc1F ZINC000001617810 209768820 /nfs/dbraw/zinc/76/88/20/209768820.db2.gz SFAZIUVQLCLFEE-MRXNPFEDSA-N 0 0 347.371 2.148 40 0 EEABRN C[C@]1(c2cccc(NC(=O)CCc3ccccc3)c2)NC(=O)NC1=O ZINC000040110879 213267652 /nfs/dbraw/zinc/26/76/52/213267652.db2.gz ZLKPGQAMYQKAJU-LJQANCHMSA-N 0 0 337.379 2.313 40 0 EEABRN O=S(=O)(NCc1ccc(Cl)cc1)c1cnn(-c2ccccn2)c1 ZINC000072238995 216077744 /nfs/dbraw/zinc/07/77/44/216077744.db2.gz WCSJMFAYDVUGMQ-UHFFFAOYSA-N 0 0 348.815 2.399 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 ZINC000072238155 216077348 /nfs/dbraw/zinc/07/73/48/216077348.db2.gz SRYIQBVWJXKRFK-BBRMVZONSA-N 0 0 329.425 2.369 40 0 EEABRN O=C(CNC(=O)c1cc(-c2cccs2)cs1)N1CCOCC1 ZINC000072243207 216082684 /nfs/dbraw/zinc/08/26/84/216082684.db2.gz QFBLVRSBILJGNZ-UHFFFAOYSA-N 0 0 336.438 2.065 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)Cn1c2ccccc2oc1=O ZINC000072324315 216151069 /nfs/dbraw/zinc/15/10/69/216151069.db2.gz CEYUNDGVVCNPST-LLVKDONJSA-N 0 0 342.399 2.072 40 0 EEABRN CC(=O)N1CCC(Cc2cc(Nc3nc(C)cc(C)n3)ncn2)CC1 ZINC000072361678 216167544 /nfs/dbraw/zinc/16/75/44/216167544.db2.gz WPYMGCPFXACLII-UHFFFAOYSA-N 0 0 340.431 2.428 40 0 EEABRN Cc1nc([C@H]2CN(C(=O)c3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387790 216188096 /nfs/dbraw/zinc/18/80/96/216188096.db2.gz IAYOTXOTXWMVQD-MRXNPFEDSA-N 0 0 326.400 2.065 40 0 EEABRN O=C1NCCN(CC2CCC3(CC2)OCCO3)[C@@H]1c1ccccc1 ZINC000190298578 238371777 /nfs/dbraw/zinc/37/17/77/238371777.db2.gz LWUOLFWEFNUFHY-QGZVFWFLSA-N 0 0 330.428 2.093 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191559062 239185058 /nfs/dbraw/zinc/18/50/58/239185058.db2.gz ARKZRHJQXBLOEQ-DZGCQCFKSA-N 0 0 345.443 2.035 40 0 EEABRN CCn1cc([C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)cn1 ZINC000191786713 239297005 /nfs/dbraw/zinc/29/70/05/239297005.db2.gz PDKIEBBRRSNGSO-KRWDZBQOSA-N 0 0 328.416 2.183 40 0 EEABRN O=C(CCc1ccccn1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000079297781 283796636 /nfs/dbraw/zinc/79/66/36/283796636.db2.gz JCNNBSIFYFMPJS-UHFFFAOYSA-N 0 0 341.386 2.138 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000223207061 241614802 /nfs/dbraw/zinc/61/48/02/241614802.db2.gz DOWBWZKWEGNVTN-UHFFFAOYSA-N 0 0 327.428 2.405 40 0 EEABRN Cc1csc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)c1 ZINC000225446519 241867272 /nfs/dbraw/zinc/86/72/72/241867272.db2.gz OPHNESYDNWGFGJ-LBPRGKRZSA-N 0 0 332.429 2.206 40 0 EEABRN COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000225807584 242046636 /nfs/dbraw/zinc/04/66/36/242046636.db2.gz RCQQKYQZDLZMQV-LLVKDONJSA-N 0 0 335.310 2.057 40 0 EEABRN COc1cccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000225977335 242083823 /nfs/dbraw/zinc/08/38/23/242083823.db2.gz IDTHMWXZTADELA-UHFFFAOYSA-N 0 0 348.424 2.272 40 0 EEABRN CC(C)NC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 ZINC000225889945 242071308 /nfs/dbraw/zinc/07/13/08/242071308.db2.gz DBGYHDKAMZNBED-UHFFFAOYSA-N 0 0 349.382 2.027 40 0 EEABRN CC(C)c1nc(Cc2ccc(NC(=O)CN3CCCC3=O)cc2)no1 ZINC000225885752 242071774 /nfs/dbraw/zinc/07/17/74/242071774.db2.gz MKDBRESFCWYSSG-UHFFFAOYSA-N 0 0 342.399 2.345 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000225921122 242076923 /nfs/dbraw/zinc/07/69/23/242076923.db2.gz MTPRDBLQDQWAKD-OAHLLOKOSA-N 0 0 338.473 2.229 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)NCc3ccccc3)nn2)c1 ZINC000227160411 242125165 /nfs/dbraw/zinc/12/51/65/242125165.db2.gz DZVQDHCKDRCGGU-UHFFFAOYSA-N 0 0 336.395 2.482 40 0 EEABRN O=C(Cn1cc(COc2cccc(F)c2)nn1)NCc1ccccc1 ZINC000227169854 242127162 /nfs/dbraw/zinc/12/71/62/242127162.db2.gz LDBGEHJDZWKZLD-UHFFFAOYSA-N 0 0 340.358 2.313 40 0 EEABRN O=C(COc1cccc2c1NC(=O)CC2)Nc1nnc(C2CC2)s1 ZINC000227167385 242127350 /nfs/dbraw/zinc/12/73/50/242127350.db2.gz PIZKYKYLOVIVRS-UHFFFAOYSA-N 0 0 344.396 2.318 40 0 EEABRN O=C(c1ccsc1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000247870071 243469641 /nfs/dbraw/zinc/46/96/41/243469641.db2.gz QHEJQKBLCRRCNL-CQSZACIVSA-N 0 0 330.409 2.453 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000253370883 243881007 /nfs/dbraw/zinc/88/10/07/243881007.db2.gz XNTCOOOPRCOQFE-MJEQTWJJSA-N 0 0 336.407 2.384 40 0 EEABRN Cn1ncc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c(Cl)c1=O ZINC000253430349 243979548 /nfs/dbraw/zinc/97/95/48/243979548.db2.gz YWCGEIKGTHCLMM-JTQLQIEISA-N 0 0 335.795 2.078 40 0 EEABRN CCS(=O)(=O)N1c2ccc(C(=O)N3CCCCC3)cc2C[C@@H]1C ZINC000020449170 212129806 /nfs/dbraw/zinc/12/98/06/212129806.db2.gz LPOCJRCITHODHF-ZDUSSCGKSA-N 0 0 336.457 2.413 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(Cc2ccoc2)C3)nc1 ZINC000253600248 244031007 /nfs/dbraw/zinc/03/10/07/244031007.db2.gz ILKPUWJVUQGCNP-INIZCTEOSA-N 0 0 328.416 2.471 40 0 EEABRN Cc1nccc(N2CCC[C@@H](c3cnc(Nc4cnccn4)cn3)C2)n1 ZINC000257209844 244146813 /nfs/dbraw/zinc/14/68/13/244146813.db2.gz BSCQOCZBEHCLKR-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN CC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)CC1 ZINC000257212370 244153889 /nfs/dbraw/zinc/15/38/89/244153889.db2.gz CDBUNCPFJKOPPD-UHFFFAOYSA-N 0 0 327.432 2.295 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 ZINC000257221329 244185889 /nfs/dbraw/zinc/18/58/89/244185889.db2.gz DONYARZIIVAXAQ-ZDUSSCGKSA-N 0 0 329.404 2.149 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)n1 ZINC000257225353 244199031 /nfs/dbraw/zinc/19/90/31/244199031.db2.gz FFVTYNJIJWAOAA-QGZVFWFLSA-N 0 0 341.459 2.449 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccccn2)cc1 ZINC000257229854 244209887 /nfs/dbraw/zinc/20/98/87/244209887.db2.gz FZSJWCNHFQKAFF-SFHVURJKSA-N 0 0 339.395 2.136 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000257236868 244231861 /nfs/dbraw/zinc/23/18/61/244231861.db2.gz HECQEGHGMJRBCN-NSHDSACASA-N 0 0 341.383 2.081 40 0 EEABRN Cc1cncc(C2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)n1 ZINC000257247642 244259534 /nfs/dbraw/zinc/25/95/34/244259534.db2.gz IZWUTFKXYBJJSX-UHFFFAOYSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1noc(C)c1CC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257248085 244264394 /nfs/dbraw/zinc/26/43/94/244264394.db2.gz JCARDTWTIJBPKI-OAHLLOKOSA-N 0 0 328.416 2.356 40 0 EEABRN COCc1c(C)onc1C(=O)N1CCCC[C@@]2(C)[C@@H]1CCC(=O)N2C ZINC000257249863 244266634 /nfs/dbraw/zinc/26/66/34/244266634.db2.gz JKANBMFOOXMUTM-KSSFIOAISA-N 0 0 349.431 2.135 40 0 EEABRN COc1cc(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)on1 ZINC000257255541 244281362 /nfs/dbraw/zinc/28/13/62/244281362.db2.gz KHWDLJNECKNFRS-MRXNPFEDSA-N 0 0 329.400 2.131 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1 ZINC000020062766 212098933 /nfs/dbraw/zinc/09/89/33/212098933.db2.gz XQIQPAXSDRTXGU-UHFFFAOYSA-N 0 0 336.438 2.333 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2cnccn2)C1 ZINC000257268435 244367408 /nfs/dbraw/zinc/36/74/08/244367408.db2.gz MLRHAJYBHXYXBV-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cccc(N)n2)C1 ZINC000257284091 244415247 /nfs/dbraw/zinc/41/52/47/244415247.db2.gz PBEUSTLWIIODNT-ZDUSSCGKSA-N 0 0 330.388 2.297 40 0 EEABRN Cc1ccsc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257297011 244452533 /nfs/dbraw/zinc/45/25/33/244452533.db2.gz RFJQZIMPJKMPBL-KRWDZBQOSA-N 0 0 349.431 2.352 40 0 EEABRN COc1cccc(NC(=O)C2CN(C(=O)Cc3csc(C)n3)C2)c1 ZINC000019747594 212061463 /nfs/dbraw/zinc/06/14/63/212061463.db2.gz QNGAEEDKPPQNPJ-UHFFFAOYSA-N 0 0 345.424 2.100 40 0 EEABRN COc1cccc(CNc2nc(-c3cccnc3OC)cc(=O)[nH]2)c1 ZINC000019565699 212043544 /nfs/dbraw/zinc/04/35/44/212043544.db2.gz BYIFXVXUMIMKNO-UHFFFAOYSA-N 0 0 338.367 2.461 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[nH]2)c1 ZINC000019555495 212040402 /nfs/dbraw/zinc/04/04/02/212040402.db2.gz DSWFCNHVKKZSHW-INIZCTEOSA-N 0 0 341.411 2.302 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F ZINC000077929288 217001006 /nfs/dbraw/zinc/00/10/06/217001006.db2.gz PXPRQBJPCUNPNP-INIZCTEOSA-N 0 0 328.359 2.207 40 0 EEABRN Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1 ZINC000019287560 212011762 /nfs/dbraw/zinc/01/17/62/212011762.db2.gz ZNTUVTINJFPGIW-UHFFFAOYSA-N 0 0 337.383 2.334 40 0 EEABRN CN1C[C@@H](C(=O)NCCc2nc(C3CCCCC3)cs2)CC1=O ZINC000078917818 217147158 /nfs/dbraw/zinc/14/71/58/217147158.db2.gz YYNPGDKMRGGAPM-ZDUSSCGKSA-N 0 0 335.473 2.328 40 0 EEABRN CCn1cnnc1CCNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000079049479 217181552 /nfs/dbraw/zinc/18/15/52/217181552.db2.gz CXDOESCCDPWOTQ-UHFFFAOYSA-N 0 0 343.431 2.255 40 0 EEABRN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cc2cccnc21 ZINC000079094408 217189950 /nfs/dbraw/zinc/18/99/50/217189950.db2.gz ZVRAFQBAJKCIPW-SECBINFHSA-N 0 0 326.805 2.051 40 0 EEABRN CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCCO1 ZINC000079092487 217190288 /nfs/dbraw/zinc/19/02/88/217190288.db2.gz AFDKLWIWNKQFGL-LLVKDONJSA-N 0 0 342.237 2.209 40 0 EEABRN Cc1cc(NC(=O)CN2CCC[C@H]2COc2ccccc2)n(C)n1 ZINC000079100064 217193270 /nfs/dbraw/zinc/19/32/70/217193270.db2.gz YQYTWTIKBUWUCM-HNNXBMFYSA-N 0 0 328.416 2.210 40 0 EEABRN c1ccc2c(c1)cccc2COC1CN(c2ccc3nnnn3n2)C1 ZINC000081012605 217350875 /nfs/dbraw/zinc/35/08/75/217350875.db2.gz GITQQXGKPXUTKW-UHFFFAOYSA-N 0 0 332.367 2.078 40 0 EEABRN Cc1cc(CCC(=O)N2CCC[C@@H]2C(N)=O)ccc1Br ZINC000081733790 217440093 /nfs/dbraw/zinc/44/00/93/217440093.db2.gz WQQBSZKZKCFJCK-CYBMUJFWSA-N 0 0 339.233 2.166 40 0 EEABRN Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(F)cn2n1 ZINC000085743079 217682298 /nfs/dbraw/zinc/68/22/98/217682298.db2.gz SSHOZVZSKDSPNJ-UHFFFAOYSA-N 0 0 335.364 2.345 40 0 EEABRN CC(C)[C@@H](O)CC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089391467 217792563 /nfs/dbraw/zinc/79/25/63/217792563.db2.gz VFSGXSRZDUGDKW-STQMWFEESA-N 0 0 346.349 2.487 40 0 EEABRN C[C@@H]1CC(=O)n2c(=O)/c(=C\c3ccc(Cl)cc3Cl)sc2=N1 ZINC000016608405 296272504 /nfs/dbraw/zinc/27/25/04/296272504.db2.gz STOQWIATEHJNPQ-IGCGCMMHSA-N 0 0 341.219 2.097 40 0 EEABRN Cc1cccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000010447881 211174284 /nfs/dbraw/zinc/17/42/84/211174284.db2.gz WJZLAAPKCTYAOB-HNNXBMFYSA-N 0 0 346.452 2.466 40 0 EEABRN CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc4ccccc43)N2N1 ZINC000010152860 211150401 /nfs/dbraw/zinc/15/04/01/211150401.db2.gz IUJCEOFNUCNVQF-OAHLLOKOSA-N 0 0 349.394 2.094 40 0 EEABRN Cc1cccc(NC(=O)CN(C)c2ncc(Br)cn2)n1 ZINC000095429750 218372854 /nfs/dbraw/zinc/37/28/54/218372854.db2.gz RZMOJWCHUDQUAL-UHFFFAOYSA-N 0 0 336.193 2.017 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000008240847 210918275 /nfs/dbraw/zinc/91/82/75/210918275.db2.gz XDNPKQPWSKZECJ-RFGFWPKPSA-N 0 0 326.437 2.052 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107388 218600116 /nfs/dbraw/zinc/60/01/16/218600116.db2.gz IZADDSBLBASRSO-KDOFPFPSSA-N 0 0 343.383 2.221 40 0 EEABRN CCOCC(=O)N1CCC[C@]2(C[C@H](OCc3cccc(C)n3)CO2)C1 ZINC000096207211 218682372 /nfs/dbraw/zinc/68/23/72/218682372.db2.gz IZQIKPULVWJHAH-HKUYNNGSSA-N 0 0 348.443 2.093 40 0 EEABRN c1csc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096208948 218685590 /nfs/dbraw/zinc/68/55/90/218685590.db2.gz MSJYLUPLXSZVLL-AWEZNQCLSA-N 0 0 341.440 2.446 40 0 EEABRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096226979 218703763 /nfs/dbraw/zinc/70/37/63/218703763.db2.gz BUIBMUGNELLGGA-YLJYHZDGSA-N 0 0 335.407 2.250 40 0 EEABRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227070 218704030 /nfs/dbraw/zinc/70/40/30/218704030.db2.gz RBAGRHCUMNZGRN-QFBILLFUSA-N 0 0 342.443 2.062 40 0 EEABRN O=C(CC1CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228228 218704526 /nfs/dbraw/zinc/70/45/26/218704526.db2.gz BPGMLJBPGIVMTQ-UHFFFAOYSA-N 0 0 327.428 2.365 40 0 EEABRN CCCCN(Cc1nnc(C2CCC2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000096410332 218764395 /nfs/dbraw/zinc/76/43/95/218764395.db2.gz AQDBCMXDTICUIY-ZDUSSCGKSA-N 0 0 327.450 2.126 40 0 EEABRN O=C(NCCCc1ccc(Cl)cc1)NC[C@]1(O)CCSC1 ZINC000096447325 218830498 /nfs/dbraw/zinc/83/04/98/218830498.db2.gz UEPFYPXNWBGBDC-OAHLLOKOSA-N 0 0 328.865 2.440 40 0 EEABRN CC1(C)[C@@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@H]2CCO[C@@H]21 ZINC000096468842 218848547 /nfs/dbraw/zinc/84/85/47/218848547.db2.gz VCOWYBYMEROAQN-BPUTZDHNSA-N 0 0 345.374 2.436 40 0 EEABRN Cc1nc(CC[S@@](=O)CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000096489177 218866866 /nfs/dbraw/zinc/86/68/66/218866866.db2.gz NVRBPFOKBLSMRG-QHCPKHFHSA-N 0 0 348.449 2.039 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](c1ccccn1)C1CCCC1 ZINC000096484191 218859890 /nfs/dbraw/zinc/85/98/90/218859890.db2.gz BWNHUDDVGSCMSN-HOTGVXAUSA-N 0 0 330.432 2.233 40 0 EEABRN O=C(NCCCO)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000004976780 210346899 /nfs/dbraw/zinc/34/68/99/210346899.db2.gz RBTAEBLXNYZVPN-KAMYIIQDSA-N 0 0 348.786 2.203 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687757 256160943 /nfs/dbraw/zinc/16/09/43/256160943.db2.gz JDFPUWGFIUGYGR-XFBWCDHKSA-N 0 0 334.370 2.284 40 0 EEABRN Cc1cc2nc3s/c(=C\c4ccc(O)cc4O)c(=O)n3c2cc1C ZINC000408721037 257891227 /nfs/dbraw/zinc/89/12/27/257891227.db2.gz IODQRWUPZAWRGL-APSNUPSMSA-N 0 0 338.388 2.485 40 0 EEABRN COc1cccc(N2CCC[C@H](NS(=O)(=O)c3ccco3)C2)c1 ZINC000188696597 533577960 /nfs/dbraw/zinc/57/79/60/533577960.db2.gz VRBAIWPGFNIHKC-ZDUSSCGKSA-N 0 0 336.413 2.236 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21 ZINC000096198398 286181239 /nfs/dbraw/zinc/18/12/39/286181239.db2.gz ZBEMDTRQUSKVIO-MRXNPFEDSA-N 0 0 342.443 2.408 40 0 EEABRN CO[C@]1(C)C[C@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C ZINC000074941328 159072049 /nfs/dbraw/zinc/07/20/49/159072049.db2.gz ZDBGXQULBOENSC-SUMWQHHRSA-N 0 0 336.436 2.471 40 0 EEABRN CC(C)C(=O)N[C@H]1CCCc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 ZINC000012241089 277334846 /nfs/dbraw/zinc/33/48/46/277334846.db2.gz JSPMMDLZCAPVPU-NFAWXSAZSA-N 0 0 332.448 2.240 40 0 EEABRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1CCCc2cccnc21 ZINC000252500433 278339169 /nfs/dbraw/zinc/33/91/69/278339169.db2.gz SVQIWZYVVQBUFO-CQSZACIVSA-N 0 0 338.473 2.173 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050804 279276657 /nfs/dbraw/zinc/27/66/57/279276657.db2.gz OABQLZVQNKKNJD-GOSISDBHSA-N 0 0 325.368 2.252 40 0 EEABRN C[C@H]1CN(C(=O)Cn2cccn2)c2cc(Br)ccc2O1 ZINC000195275693 279794246 /nfs/dbraw/zinc/79/42/46/279794246.db2.gz ZRIRGGAFQUMFGS-JTQLQIEISA-N 0 0 336.189 2.460 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225456500 280244963 /nfs/dbraw/zinc/24/49/63/280244963.db2.gz UVQKCHILBSLHRT-GFCCVEGCSA-N 0 0 328.372 2.027 40 0 EEABRN Cc1ccc(-c2nc3ccccc3n2C[C@H](O)CN2CCOCC2)o1 ZINC000096471603 280729261 /nfs/dbraw/zinc/72/92/61/280729261.db2.gz BABZGDBGKXYBGV-OAHLLOKOSA-N 0 0 341.411 2.298 40 0 EEABRN CC(C)n1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000257246009 280798156 /nfs/dbraw/zinc/79/81/56/280798156.db2.gz ISBCXRLGUQPZEQ-ZDUSSCGKSA-N 0 0 349.460 2.060 40 0 EEABRN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCN1C(=O)NC(C)(C)C1=O ZINC000195530148 288394694 /nfs/dbraw/zinc/39/46/94/288394694.db2.gz BLBQPMBRBUGGPC-FMKPAKJESA-N 0 0 345.443 2.167 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)C1 ZINC000252509716 288481231 /nfs/dbraw/zinc/48/12/31/288481231.db2.gz YTWBSQQKDBWBEN-UTUOFQBUSA-N 0 0 338.429 2.073 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000096474789 289499649 /nfs/dbraw/zinc/49/96/49/289499649.db2.gz NHBRSQDVHJUCBQ-YGRLFVJLSA-N 0 0 344.864 2.450 40 0 EEABRN COC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598735 293297164 /nfs/dbraw/zinc/29/71/64/293297164.db2.gz BKDRSCVPSOMDNX-SQNIBIBYSA-N 0 0 349.427 2.418 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000072241411 301358017 /nfs/dbraw/zinc/35/80/17/301358017.db2.gz VVPNSEKATAYYIN-HUUCEWRRSA-N 0 0 349.774 2.173 40 0 EEABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C ZINC000223573009 301423157 /nfs/dbraw/zinc/42/31/57/301423157.db2.gz ATTVRGIWZCHJQW-CVEARBPZSA-N 0 0 330.457 2.002 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000096181729 302004160 /nfs/dbraw/zinc/00/41/60/302004160.db2.gz ZDQRIWJJMHKVRV-IRXDYDNUSA-N 0 0 343.358 2.066 40 0 EEABRN NC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257274239 303353375 /nfs/dbraw/zinc/35/33/75/303353375.db2.gz NKDJGKTXQZOLDD-NSHDSACASA-N 0 0 344.440 2.296 40 0 EEABRN C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1CCN(CC(F)(F)F)CC1 ZINC000330443669 311752867 /nfs/dbraw/zinc/75/28/67/311752867.db2.gz WKPOIMHMSNOONS-SECBINFHSA-N 0 0 346.353 2.291 40 0 EEABRN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCc2nncn2C1 ZINC000333095540 312091359 /nfs/dbraw/zinc/09/13/59/312091359.db2.gz PBFXXWTXIGHCTM-SRVKXCTJSA-N 0 0 330.354 2.468 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)sc1C ZINC000528542812 317413481 /nfs/dbraw/zinc/41/34/81/317413481.db2.gz RPNLWSRSYGFGII-CYBMUJFWSA-N 0 0 336.438 2.207 40 0 EEABRN CCc1nnc(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)[nH]1 ZINC000097096275 323320340 /nfs/dbraw/zinc/32/03/40/323320340.db2.gz QVTICMGMVXUPIM-CQSZACIVSA-N 0 0 343.431 2.287 40 0 EEABRN CCCN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000097237043 323321315 /nfs/dbraw/zinc/32/13/15/323321315.db2.gz FHPBZDHCBZFOCW-LSDHHAIUSA-N 0 0 345.447 2.419 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1csc2c1CCCC2 ZINC000195560876 323514420 /nfs/dbraw/zinc/51/44/20/323514420.db2.gz QSSSCEIFDFBESO-UHFFFAOYSA-N 0 0 333.413 2.446 40 0 EEABRN Cc1ccc(NC(=O)CSCC(=O)Nc2ncccc2O)cc1 ZINC000390833871 323545442 /nfs/dbraw/zinc/54/54/42/323545442.db2.gz OHGYPZBZINFIIL-UHFFFAOYSA-N 0 0 331.397 2.406 40 0 EEABRN O=C(NC[C@H](O)c1cccs1)c1ccc(CN2CCOCC2)cc1 ZINC000077615942 463012691 /nfs/dbraw/zinc/01/26/91/463012691.db2.gz SBTLNUUNGPVXFG-INIZCTEOSA-N 0 0 346.452 2.044 40 0 EEABRN C[C@H](NC(=O)CCn1ccccc1=O)c1cccc(-n2cccn2)c1 ZINC000074037518 462546314 /nfs/dbraw/zinc/54/63/14/462546314.db2.gz DUSSYRLJLACXRV-HNNXBMFYSA-N 0 0 336.395 2.302 40 0 EEABRN CCC1=C[C@@](O)(C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)N1 ZINC000000199847 462548105 /nfs/dbraw/zinc/54/81/05/462548105.db2.gz RVSLAKIBFNSFQL-GFCCVEGCSA-N 0 0 336.335 2.406 40 0 EEABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2F)c1 ZINC000060548922 462558001 /nfs/dbraw/zinc/55/80/01/462558001.db2.gz TZBYUOLOSYDKEW-UHFFFAOYSA-N 0 0 340.351 2.434 40 0 EEABRN C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000000439495 462563330 /nfs/dbraw/zinc/56/33/30/462563330.db2.gz IMPGFTJASUJEHT-UUIJZJDISA-N 0 0 334.169 2.282 40 0 EEABRN COc1c(C)cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C ZINC000000802702 462572985 /nfs/dbraw/zinc/57/29/85/462572985.db2.gz FOLSGDMMUXUCQN-RYUDHWBXSA-N 0 0 327.446 2.418 40 0 EEABRN Cc1cccc(C)c1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000074244924 462574576 /nfs/dbraw/zinc/57/45/76/462574576.db2.gz WSFQFLRNMOKHCQ-UHFFFAOYSA-N 0 0 346.452 2.153 40 0 EEABRN Cc1nc(CN2CCC(CNC(=O)CC3(O)CCCC3)CC2)oc1C ZINC000074368198 462590928 /nfs/dbraw/zinc/59/09/28/462590928.db2.gz ZGNGNGSVLGXQJO-UHFFFAOYSA-N 0 0 349.475 2.315 40 0 EEABRN CCc1noc(CC)c1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000087136551 462591536 /nfs/dbraw/zinc/59/15/36/462591536.db2.gz DIEHESKMKKRUNY-SNVBAGLBSA-N 0 0 348.369 2.235 40 0 EEABRN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C=O)cc1 ZINC000003386999 462617041 /nfs/dbraw/zinc/61/70/41/462617041.db2.gz KIIMIHOPTVUCSN-UHFFFAOYSA-N 0 0 341.319 2.081 40 0 EEABRN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000088777615 462646411 /nfs/dbraw/zinc/64/64/11/462646411.db2.gz IILLRYSLCAHELN-JTQLQIEISA-N 0 0 327.356 2.256 40 0 EEABRN COc1ccc(C(=O)NC(=S)Nc2ccc(CCO)cc2)cc1 ZINC000005550112 462662812 /nfs/dbraw/zinc/66/28/12/462662812.db2.gz KJBXHYLVSUGQBY-UHFFFAOYSA-N 0 0 330.409 2.357 40 0 EEABRN COc1cccc(Cl)c1CC(=O)NC[C@H](C)N1CCOC[C@@H]1C ZINC000153638831 462673431 /nfs/dbraw/zinc/67/34/31/462673431.db2.gz AXGJTUGFZIWZSG-STQMWFEESA-N 0 0 340.851 2.117 40 0 EEABRN CC(C)(CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000075170399 462691278 /nfs/dbraw/zinc/69/12/78/462691278.db2.gz UVBHCADXEXWJNL-OAHLLOKOSA-N 0 0 330.428 2.411 40 0 EEABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000006597154 462692039 /nfs/dbraw/zinc/69/20/39/462692039.db2.gz XXJDZWABEJEPET-UHFFFAOYSA-N 0 0 342.461 2.059 40 0 EEABRN COc1ccc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000047164114 462749714 /nfs/dbraw/zinc/74/97/14/462749714.db2.gz GOFNNEDAHNDYST-UHFFFAOYSA-N 0 0 348.380 2.363 40 0 EEABRN Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008180623 462771565 /nfs/dbraw/zinc/77/15/65/462771565.db2.gz UFSLFPSUQCORQJ-UHFFFAOYSA-N 0 0 336.388 2.360 40 0 EEABRN CC(C)(Br)C(=O)NCCC(=O)Nc1cccc(F)c1 ZINC000008733101 462793080 /nfs/dbraw/zinc/79/30/80/462793080.db2.gz UCQAZMRSQINLAV-UHFFFAOYSA-N 0 0 331.185 2.444 40 0 EEABRN C[C@@H]1CN(CC(=O)NCc2cccnc2)[C@H](c2ccccc2)CO1 ZINC000076147861 462814335 /nfs/dbraw/zinc/81/43/35/462814335.db2.gz XPCZXOXEDQJQRP-QAPCUYQASA-N 0 0 325.412 2.160 40 0 EEABRN O=C1Nc2ccc(Br)cc2[C@]12NC(=O)c1ccccc1O2 ZINC000010325960 462817383 /nfs/dbraw/zinc/81/73/83/462817383.db2.gz AVLWAUHGPIMLGI-OAHLLOKOSA-N 0 0 345.152 2.376 40 0 EEABRN C=Cn1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122462 462843709 /nfs/dbraw/zinc/84/37/09/462843709.db2.gz ZUGDXCCAWWGMCL-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN COC[C@H](C)N1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000076615742 462885508 /nfs/dbraw/zinc/88/55/08/462885508.db2.gz DJZIBBGZEIWXJL-JTQLQIEISA-N 0 0 348.415 2.451 40 0 EEABRN Cc1nc2ncccc2c([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 ZINC000013228038 462887514 /nfs/dbraw/zinc/88/75/14/462887514.db2.gz YIRRGMQIWIKIAN-DZGCQCFKSA-N 0 0 326.400 2.218 40 0 EEABRN Cc1ccc([C@H](C)N2CCN(C(=O)COC[C@H]3CCCO3)CC2)cc1 ZINC000013996220 462908046 /nfs/dbraw/zinc/90/80/46/462908046.db2.gz BNTMZUOFRLEBAI-PKOBYXMFSA-N 0 0 346.471 2.396 40 0 EEABRN Cc1ccc(/C(=C\N2CCOCC2)C(=S)N2CCOCC2)cc1 ZINC000016291458 462973513 /nfs/dbraw/zinc/97/35/13/462973513.db2.gz MRDPSIHQCLWUAK-SAPNQHFASA-N 0 0 332.469 2.328 40 0 EEABRN C[C@](O)(CNC(=O)NCCc1nccn1C(F)F)c1ccsc1 ZINC000077562027 463006610 /nfs/dbraw/zinc/00/66/10/463006610.db2.gz SRAZFBBMLWTRKZ-AWEZNQCLSA-N 0 0 344.387 2.089 40 0 EEABRN COc1ncc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)cn1 ZINC000019130512 463014458 /nfs/dbraw/zinc/01/44/58/463014458.db2.gz ATBOUJMLUYPENG-DZGCQCFKSA-N 0 0 336.399 2.098 40 0 EEABRN Cc1ncc(-c2nc(C(=O)NCc3ccc(F)cc3)no2)c(C)n1 ZINC000095464242 463089491 /nfs/dbraw/zinc/08/94/91/463089491.db2.gz GLNPUVFIWQMKCW-UHFFFAOYSA-N 0 0 327.319 2.213 40 0 EEABRN COc1ncc(Cl)c(N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000134901953 463094256 /nfs/dbraw/zinc/09/42/56/463094256.db2.gz QWFYDUYSMSUQMM-LBPRGKRZSA-N 0 0 336.779 2.017 40 0 EEABRN COCCCNC(=O)c1nc2c(s1)CCCN2c1ccc(C)nn1 ZINC000096037470 463142164 /nfs/dbraw/zinc/14/21/64/463142164.db2.gz QIODBDLGOXFIAX-UHFFFAOYSA-N 0 0 347.444 2.092 40 0 EEABRN Cn1ncc2c1CN(C(=O)C1=CCCC1)C[C@H]2COc1cccnc1 ZINC000096044672 463148637 /nfs/dbraw/zinc/14/86/37/463148637.db2.gz WKENQFKUIIZKFQ-HNNXBMFYSA-N 0 0 338.411 2.430 40 0 EEABRN Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)c4cscn4)C[C@H]3O2)n1 ZINC000096046157 463150037 /nfs/dbraw/zinc/15/00/37/463150037.db2.gz NKUJIULUPGEGKN-NILFDRSVSA-N 0 0 330.413 2.234 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096049399 463153405 /nfs/dbraw/zinc/15/34/05/463153405.db2.gz SXPMQRXYIGLITD-UHFFFAOYSA-N 0 0 339.395 2.472 40 0 EEABRN Cc1nnc2ccc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)nn12 ZINC000068701180 463166924 /nfs/dbraw/zinc/16/69/24/463166924.db2.gz JYCIGFQONNXPSJ-OAHLLOKOSA-N 0 0 342.447 2.052 40 0 EEABRN CC(C)n1cnc(-c2nc(C(=O)N3CCOCC3)c3ccccn32)c1 ZINC000096088221 463171171 /nfs/dbraw/zinc/17/11/71/463171171.db2.gz OGIWMBAKXCZRRC-UHFFFAOYSA-N 0 0 339.399 2.251 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CO[C@@H](COCC3CC3)C2)CC1 ZINC000096105980 463174225 /nfs/dbraw/zinc/17/42/25/463174225.db2.gz OAMFQFPPBNKOAK-MRXNPFEDSA-N 0 0 332.444 2.463 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CO[C@H](COCC4CC4)C3)CC2)on1 ZINC000096106055 463174341 /nfs/dbraw/zinc/17/43/41/463174341.db2.gz WPZCIDFKGOIICE-HNNXBMFYSA-N 0 0 334.416 2.421 40 0 EEABRN O=C(COC1CCCC1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107670 463174823 /nfs/dbraw/zinc/17/48/23/463174823.db2.gz XCTCIGSFPNJPMK-LPHOPBHVSA-N 0 0 346.427 2.180 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096108998 463177355 /nfs/dbraw/zinc/17/73/55/463177355.db2.gz PHTMHDNDIAPXTD-QAPCUYQASA-N 0 0 344.436 2.449 40 0 EEABRN O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 ZINC000096110452 463178507 /nfs/dbraw/zinc/17/85/07/463178507.db2.gz QXNRCKMCXKLOHS-QAPCUYQASA-N 0 0 349.406 2.296 40 0 EEABRN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C(=O)Cc1ccccc1)C2 ZINC000096111720 463179347 /nfs/dbraw/zinc/17/93/47/463179347.db2.gz HCHIAFYPCKPMRY-RDJZCZTQSA-N 0 0 336.391 2.254 40 0 biogenic,in-vitro EEABRN Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)cs1 ZINC000096161530 463191851 /nfs/dbraw/zinc/19/18/51/463191851.db2.gz HVDROOSTVUYKED-GASCZTMLSA-N 0 0 328.441 2.051 40 0 EEABRN CCOC[C@H]1Cn2nccc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096188931 463199761 /nfs/dbraw/zinc/19/97/61/463199761.db2.gz DQHOBZLLLZTGJQ-OAHLLOKOSA-N 0 0 329.400 2.280 40 0 EEABRN CCN1CCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000096192895 463202088 /nfs/dbraw/zinc/20/20/88/463202088.db2.gz MSSCWFDOCJVZGS-QGZVFWFLSA-N 0 0 335.835 2.387 40 0 EEABRN COC[C@H]1CN(C(=O)Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096198132 463204215 /nfs/dbraw/zinc/20/42/15/463204215.db2.gz HOYIYLAXZDUSLW-MRXNPFEDSA-N 0 0 340.427 2.003 40 0 EEABRN CN(C)c1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)ccn1 ZINC000079310417 463204984 /nfs/dbraw/zinc/20/49/84/463204984.db2.gz USTLNLRUVIDAHP-MRXNPFEDSA-N 0 0 326.400 2.368 40 0 EEABRN CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000079311050 463205174 /nfs/dbraw/zinc/20/51/74/463205174.db2.gz YBHHHOVBHBGBDU-QGZVFWFLSA-N 0 0 333.395 2.496 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)[C@@H]2C ZINC000096201577 463207156 /nfs/dbraw/zinc/20/71/56/463207156.db2.gz SOLQEURAXPRBJF-CQSZACIVSA-N 0 0 346.427 2.220 40 0 EEABRN CC[C@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(OC)c(F)c3)CC[C@H]21 ZINC000096206052 463208827 /nfs/dbraw/zinc/20/88/27/463208827.db2.gz ZTMOXGGVXGWLGB-UXIGCNINSA-N 0 0 343.420 2.270 40 0 EEABRN Cc1noc(C[C@]23COC[C@H]2CN(C(=O)/C=C/c2cccs2)C3)n1 ZINC000096207867 463209863 /nfs/dbraw/zinc/20/98/63/463209863.db2.gz OWEFCUPKNUJCQM-RAKGJIHJSA-N 0 0 345.424 2.170 40 0 EEABRN Cc1ncoc1C(=O)N1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096209228 463212593 /nfs/dbraw/zinc/21/25/93/463212593.db2.gz HHOSRCBNMBOIAA-RDTXWAMCSA-N 0 0 342.399 2.254 40 0 EEABRN c1ccc(CO[C@H]2CO[C@]3(C2)CCCN(c2ncccn2)C3)nc1 ZINC000096219256 463216258 /nfs/dbraw/zinc/21/62/58/463216258.db2.gz NTOQOBLKTPFSSJ-AEFFLSMTSA-N 0 0 326.400 2.216 40 0 EEABRN O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC000096219002 463216292 /nfs/dbraw/zinc/21/62/92/463216292.db2.gz XFZYYRJTRSDVFN-HNNXBMFYSA-N 0 0 329.400 2.104 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096218894 463216889 /nfs/dbraw/zinc/21/68/89/463216889.db2.gz PQEZVRQSXDXJBV-UXLLHSPISA-N 0 0 328.368 2.434 40 0 EEABRN Cc1nnc(N2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)s1 ZINC000096220148 463218141 /nfs/dbraw/zinc/21/81/41/463218141.db2.gz BLLHCHLQQGRGSA-ZBFHGGJFSA-N 0 0 332.429 2.306 40 0 EEABRN CN(Cc1ccccn1)[C@H]1CO[C@@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC000096223495 463219570 /nfs/dbraw/zinc/21/95/70/463219570.db2.gz RSJSNVHSDVMUCB-IEBWSBKVSA-N 0 0 329.444 2.074 40 0 EEABRN Cc1occc1C(=O)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC000096226352 463220874 /nfs/dbraw/zinc/22/08/74/463220874.db2.gz IBKDZVDYLGCEOS-IBGZPJMESA-N 0 0 341.411 2.495 40 0 EEABRN COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000096245822 463226588 /nfs/dbraw/zinc/22/65/88/463226588.db2.gz JPNDGEDIERVUBM-KBPBESRZSA-N 0 0 337.807 2.194 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000096405568 463239018 /nfs/dbraw/zinc/23/90/18/463239018.db2.gz OBNLYENHJDKURI-IAGOWNOFSA-N 0 0 348.410 2.265 40 0 EEABRN Cc1c(-c2nc(C3CC3)no2)nnn1-c1ccc2c(c1)OCCO2 ZINC000096405257 463239562 /nfs/dbraw/zinc/23/95/62/463239562.db2.gz ULNKIPHIPPYRCB-UHFFFAOYSA-N 0 0 325.328 2.274 40 0 EEABRN COCCCN(Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000096406595 463240328 /nfs/dbraw/zinc/24/03/28/463240328.db2.gz LJQUAJFBIYNSEY-SFHVURJKSA-N 0 0 337.485 2.201 40 0 EEABRN COCc1ccccc1NC(=O)C(=O)N1CCc2ccccc2CC1 ZINC000096408002 463241233 /nfs/dbraw/zinc/24/12/33/463241233.db2.gz CVLPOZMXYCNLNW-UHFFFAOYSA-N 0 0 338.407 2.399 40 0 EEABRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000096408632 463241892 /nfs/dbraw/zinc/24/18/92/463241892.db2.gz MVLKDBZGHBRBSH-DEOSSOPVSA-N 0 0 347.440 2.435 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)N2CC=C(c3cccs3)CC2)c1C ZINC000096409970 463242784 /nfs/dbraw/zinc/24/27/84/463242784.db2.gz QQAVQBKPMOGPJY-UHFFFAOYSA-N 0 0 329.425 2.388 40 0 EEABRN O=C(c1csc(Cc2ccccc2F)n1)N1CCCS1(=O)=O ZINC000096410810 463243946 /nfs/dbraw/zinc/24/39/46/463243946.db2.gz SUWCVRAWNOEEMZ-UHFFFAOYSA-N 0 0 340.401 2.049 40 0 EEABRN O=C(NCCn1cnnc1C1CC1)c1csc(-c2ccoc2)n1 ZINC000096412675 463244769 /nfs/dbraw/zinc/24/47/69/463244769.db2.gz FLUIAOMIXFJUJO-UHFFFAOYSA-N 0 0 329.385 2.302 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC2(O)CCCCCC2)C1 ZINC000096411766 463244870 /nfs/dbraw/zinc/24/48/70/463244870.db2.gz YPGNFJXUPINUFM-OAHLLOKOSA-N 0 0 338.492 2.473 40 0 EEABRN Cc1nc(C(C)(C)NC(=O)Cn2c3ccccc3[nH]c2=O)sc1C ZINC000096413195 463245723 /nfs/dbraw/zinc/24/57/23/463245723.db2.gz JDIWXVDGFGCNLU-UHFFFAOYSA-N 0 0 344.440 2.454 40 0 EEABRN Cc1ccc(OC[C@H](C)NC(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000096413303 463246127 /nfs/dbraw/zinc/24/61/27/463246127.db2.gz WNXOHFSGDRXFKS-AAEUAGOBSA-N 0 0 334.338 2.375 40 0 EEABRN COCCc1noc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414963 463247118 /nfs/dbraw/zinc/24/71/18/463247118.db2.gz DYTCIOBCLIMFJU-CQSZACIVSA-N 0 0 347.390 2.493 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000096417722 463249455 /nfs/dbraw/zinc/24/94/55/463249455.db2.gz ZHRILZYOYFFBHJ-GFCCVEGCSA-N 0 0 333.823 2.351 40 0 EEABRN CN([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000096419788 463251615 /nfs/dbraw/zinc/25/16/15/463251615.db2.gz BMEBZXCXDSPNMY-RTXFEEFZSA-N 0 0 330.837 2.169 40 0 EEABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 ZINC000096425845 463254650 /nfs/dbraw/zinc/25/46/50/463254650.db2.gz YGQGGNPNILFEDO-LLVKDONJSA-N 0 0 336.388 2.424 40 0 EEABRN Cc1ccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1C ZINC000096435894 463263000 /nfs/dbraw/zinc/26/30/00/463263000.db2.gz ASFIKCICGGVIFG-IBGZPJMESA-N 0 0 341.455 2.241 40 0 EEABRN C[C@H](CNC(=O)c1nccn1C)Oc1ccccc1Br ZINC000096452501 463272755 /nfs/dbraw/zinc/27/27/55/463272755.db2.gz STGWBUNTXLPJHK-SNVBAGLBSA-N 0 0 338.205 2.380 40 0 EEABRN CCSc1ccc(Cl)cc1NCc1cc(=O)n(C)c(=O)n1C ZINC000096453593 463274582 /nfs/dbraw/zinc/27/45/82/463274582.db2.gz GYXADFDVTPBKCJ-UHFFFAOYSA-N 0 0 339.848 2.462 40 0 EEABRN C[C@]1(NC(=O)Nc2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000096461055 463276685 /nfs/dbraw/zinc/27/66/85/463276685.db2.gz FKUBAPXGJZMTIW-LBPRGKRZSA-N 0 0 336.335 2.404 40 0 EEABRN O=C(CCc1ccccc1)N1CCCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000096459286 463276801 /nfs/dbraw/zinc/27/68/01/463276801.db2.gz USXTYQDDQCJTSX-SFHVURJKSA-N 0 0 344.455 2.249 40 0 EEABRN Cc1cc(CCC(=O)N2CCCS2(=O)=O)ccc1Br ZINC000096459769 463276927 /nfs/dbraw/zinc/27/69/27/463276927.db2.gz LEYXLNWBKIJMOY-UHFFFAOYSA-N 0 0 346.246 2.252 40 0 EEABRN FC(F)(F)CN1CC[C@H](CNc2ccc3nnc(C4CC4)n3n2)C1 ZINC000096462035 463278068 /nfs/dbraw/zinc/27/80/68/463278068.db2.gz BVZJIZFITMQNIH-SNVBAGLBSA-N 0 0 340.353 2.298 40 0 EEABRN COC(=O)CCC(=O)N[C@H](C)Cc1ccccc1Br ZINC000096470654 463279197 /nfs/dbraw/zinc/27/91/97/463279197.db2.gz QFQRMHCDAMPGEC-SNVBAGLBSA-N 0 0 328.206 2.450 40 0 EEABRN Cn1nnc2cc(C(=O)N3CCO[C@H](c4cccs4)C3)ccc21 ZINC000096473894 463280370 /nfs/dbraw/zinc/28/03/70/463280370.db2.gz OQCLLZZDJANGLT-AWEZNQCLSA-N 0 0 328.397 2.244 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159346459 463282016 /nfs/dbraw/zinc/28/20/16/463282016.db2.gz QQSZNYRXGBUDDA-OAHLLOKOSA-N 0 0 339.443 2.062 40 0 EEABRN O=C(NCC1(N2CCOCC2)CCCC1)[C@H]1OCCc2ccccc21 ZINC000096483420 463282435 /nfs/dbraw/zinc/28/24/35/463282435.db2.gz PGWLOLVWKIDKGU-SFHVURJKSA-N 0 0 344.455 2.062 40 0 EEABRN CCS(=O)(=O)N1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000096489615 463284665 /nfs/dbraw/zinc/28/46/65/463284665.db2.gz JFANXDFPOHALOY-UHFFFAOYSA-N 0 0 345.468 2.216 40 0 EEABRN CC[C@@H](C)Oc1cc(C(=O)NCc2nnc3ccccn32)ccn1 ZINC000096494931 463289366 /nfs/dbraw/zinc/28/93/66/463289366.db2.gz NBCXSLZMQYXXPZ-GFCCVEGCSA-N 0 0 325.372 2.232 40 0 EEABRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000096495745 463289539 /nfs/dbraw/zinc/28/95/39/463289539.db2.gz WMDFCCKAYMQOEJ-ZNIXKSQXSA-N 0 0 346.349 2.256 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000096500265 463290160 /nfs/dbraw/zinc/29/01/60/463290160.db2.gz SNZBOXQMRLIYOF-ZDUSSCGKSA-N 0 0 330.432 2.275 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1Cc2ccccc2C1 ZINC000096502577 463292908 /nfs/dbraw/zinc/29/29/08/463292908.db2.gz YQBRBDIVCGFWQP-QGZVFWFLSA-N 0 0 336.395 2.302 40 0 EEABRN CC[C@@](Br)(C(=O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096518696 463293778 /nfs/dbraw/zinc/29/37/78/463293778.db2.gz MQPGVIAKYDCLPV-LBPRGKRZSA-N 0 0 335.219 2.424 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(F)cc1 ZINC000096519753 463293786 /nfs/dbraw/zinc/29/37/86/463293786.db2.gz NEGCESDVBRFTTE-DTWKUNHWSA-N 0 0 331.590 2.191 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccccc1 ZINC000096519818 463294337 /nfs/dbraw/zinc/29/43/37/463294337.db2.gz ZMKUQDCXCCHWSZ-UWVGGRQHSA-N 0 0 327.627 2.442 40 0 EEABRN C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000097099100 463324261 /nfs/dbraw/zinc/32/42/61/463324261.db2.gz NSJYNFXJFYQTFU-DAOPMYJZSA-N 0 0 332.429 2.374 40 0 EEABRN C[C@H](C(=O)Nc1ccccc1-n1ccnn1)n1c(=O)oc2ccccc21 ZINC000097233153 463351738 /nfs/dbraw/zinc/35/17/38/463351738.db2.gz FMAICQQZKZQZKV-GFCCVEGCSA-N 0 0 349.350 2.375 40 0 EEABRN COc1ccc2nc(NC(=O)NCCc3ccnn3C)sc2c1 ZINC000097377563 463356624 /nfs/dbraw/zinc/35/66/24/463356624.db2.gz TYHKWDDULZYBEV-UHFFFAOYSA-N 0 0 331.401 2.403 40 0 EEABRN COc1ccc(C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC ZINC000032117920 463365379 /nfs/dbraw/zinc/36/53/79/463365379.db2.gz YCWIBJPTKQSXQU-UHFFFAOYSA-N 0 0 340.335 2.403 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000071874285 463449448 /nfs/dbraw/zinc/44/94/48/463449448.db2.gz FZEXXSYGXXHUOT-UHFFFAOYSA-N 0 0 346.380 2.462 40 0 EEABRN O=S(=O)(Cc1ccc(F)cc1)NCc1nc(-c2ccccc2)no1 ZINC000041151917 463471340 /nfs/dbraw/zinc/47/13/40/463471340.db2.gz KHGDNNOIOIZRLN-UHFFFAOYSA-N 0 0 347.371 2.495 40 0 EEABRN COc1ccc([C@@]2(Cc3ccc(Cl)cc3)NC(N)=NC2=O)cc1 ZINC000071974389 463478383 /nfs/dbraw/zinc/47/83/83/463478383.db2.gz NAUCVKXIYRBOFT-QGZVFWFLSA-N 0 0 329.787 2.231 40 0 EEABRN COC(=O)c1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000057351017 463480328 /nfs/dbraw/zinc/48/03/28/463480328.db2.gz RMJSZFVEOHSZIA-UHFFFAOYSA-N 0 0 341.363 2.103 40 0 EEABRN Cc1cccc(CN2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)n1 ZINC000108534319 463611820 /nfs/dbraw/zinc/61/18/20/463611820.db2.gz SQACFNGACBPBJH-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN O=C(NCCOc1ccccc1Cl)C(=O)NCc1ccccc1 ZINC000059417386 463642835 /nfs/dbraw/zinc/64/28/35/463642835.db2.gz SPCROPXOWRXUJF-UHFFFAOYSA-N 0 0 332.787 2.151 40 0 EEABRN COc1ccc(CNS(=O)(=O)Cc2ccccc2F)cc1OC ZINC000044839646 463694587 /nfs/dbraw/zinc/69/45/87/463694587.db2.gz ZVKFDTVSVZSUPN-UHFFFAOYSA-N 0 0 339.388 2.463 40 0 EEABRN C[C@@H]1CC=CC[C@@H]1COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000044836123 463694750 /nfs/dbraw/zinc/69/47/50/463694750.db2.gz WPDNCNFXMSWMPC-CPUCHLNUSA-N 0 0 341.411 2.252 40 0 EEABRN O=C(CCN1CCSC1=O)NCc1cnn(-c2ccccc2)c1 ZINC000044895421 463699750 /nfs/dbraw/zinc/69/97/50/463699750.db2.gz DHFGHTVQWTVJGR-UHFFFAOYSA-N 0 0 330.413 2.047 40 0 EEABRN Cc1cccc([C@@H](O)CN(Cc2nnn(C)n2)Cc2ccccc2)c1 ZINC000193447124 463714144 /nfs/dbraw/zinc/71/41/44/463714144.db2.gz MUFKUQUKYSLIKN-SFHVURJKSA-N 0 0 337.427 2.254 40 0 EEABRN O=S(=O)(c1cccs1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257228930 463757879 /nfs/dbraw/zinc/75/78/79/463757879.db2.gz FVXKBIKGFMWLFI-UHFFFAOYSA-N 0 0 348.453 2.359 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3nccc(C)n3)C2)s1 ZINC000257286321 463762971 /nfs/dbraw/zinc/76/29/71/463762971.db2.gz PLDBTJXYAIPXKE-CYBMUJFWSA-N 0 0 332.429 2.001 40 0 EEABRN O=C(CCc1ccccc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257295196 463766122 /nfs/dbraw/zinc/76/61/22/463766122.db2.gz QXIZAVQPXUSJEJ-QZTJIDSGSA-N 0 0 329.371 2.409 40 0 EEABRN O=C(COc1cccnc1)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257295822 463767799 /nfs/dbraw/zinc/76/77/99/463767799.db2.gz RAAXKTPGGDCGFE-JLSDUUJJSA-N 0 0 339.395 2.171 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000257317546 463774353 /nfs/dbraw/zinc/77/43/53/463774353.db2.gz VKESMQYRPDDEAS-CQSZACIVSA-N 0 0 337.383 2.322 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cc2cccnc2)nc1 ZINC000257324043 463777928 /nfs/dbraw/zinc/77/79/28/463777928.db2.gz WMXLXTFCBYKGHV-GOSISDBHSA-N 0 0 338.411 2.019 40 0 EEABRN CCC(=O)N1CCO[C@H](c2cncc(-c3cccc(OC)c3)n2)C1 ZINC000257325303 463778041 /nfs/dbraw/zinc/77/80/41/463778041.db2.gz WSINPAIBZGEYDA-KRWDZBQOSA-N 0 0 327.384 2.462 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)n1 ZINC000257321962 463778387 /nfs/dbraw/zinc/77/83/87/463778387.db2.gz WEBWPQZNJVQBHS-HKUYNNGSSA-N 0 0 326.396 2.435 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)ccn1 ZINC000257326966 463779103 /nfs/dbraw/zinc/77/91/03/463779103.db2.gz WZHDTXIILSZLJS-QGZVFWFLSA-N 0 0 349.394 2.184 40 0 EEABRN CC(=O)NCc1c[nH]c([C@@H]2CCN(C(=O)C=Cc3ccccc3)C2)n1 ZINC000257340790 463786377 /nfs/dbraw/zinc/78/63/77/463786377.db2.gz ZHOPGLNDZLZVOX-KXPUMZMLSA-N 0 0 338.411 2.075 40 0 EEABRN Cn1cc(-c2nccnc2C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1 ZINC000257342671 463787293 /nfs/dbraw/zinc/78/72/93/463787293.db2.gz ZPQOOFBLJNGKQN-CYBMUJFWSA-N 0 0 327.432 2.314 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000260894993 463792075 /nfs/dbraw/zinc/79/20/75/463792075.db2.gz GIVQBMVBKFJBFF-NEPJUHHUSA-N 0 0 330.425 2.141 40 0 EEABRN Cn1nccc1CCC(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000194288668 463828785 /nfs/dbraw/zinc/82/87/85/463828785.db2.gz HYTNIVFYMPDPKA-UHFFFAOYSA-N 0 0 349.438 2.250 40 0 EEABRN CCCn1c(C)nnc1S(=O)(=O)Cc1ccc(OC)c(F)c1 ZINC000195206002 464017578 /nfs/dbraw/zinc/01/75/78/464017578.db2.gz QQFNEZPLUORKLA-UHFFFAOYSA-N 0 0 327.381 2.118 40 0 EEABRN CN(Cc1nccs1)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000195576355 464080494 /nfs/dbraw/zinc/08/04/94/464080494.db2.gz QTTXLEPIMQPVRO-UHFFFAOYSA-N 0 0 344.318 2.154 40 0 EEABRN CCOCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223167542 464137531 /nfs/dbraw/zinc/13/75/31/464137531.db2.gz UIEKLSYDRWGICN-UHFFFAOYSA-N 0 0 346.474 2.072 40 0 EEABRN O=C(NCc1nccc(N2CCOCC2)n1)c1ccc2ccccc2c1 ZINC000224169354 464148307 /nfs/dbraw/zinc/14/83/07/464148307.db2.gz TWAFLVNHLPTFAE-UHFFFAOYSA-N 0 0 348.406 2.396 40 0 EEABRN CSCC[C@@H](NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000224527887 464151463 /nfs/dbraw/zinc/15/14/63/464151463.db2.gz LCRSOUHHRUJURD-CQSZACIVSA-N 0 0 348.424 2.298 40 0 EEABRN CCOC(=O)N1CCN(C(=O)COc2cccc3c2CCCC3)CC1 ZINC000224652654 464151594 /nfs/dbraw/zinc/15/15/94/464151594.db2.gz IXRXBWYRKWCOMP-UHFFFAOYSA-N 0 0 346.427 2.245 40 0 EEABRN CC(C)C(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C ZINC000225418773 464158037 /nfs/dbraw/zinc/15/80/37/464158037.db2.gz LCIUHYHYDJFYIJ-UHFFFAOYSA-N 0 0 326.462 2.347 40 0 EEABRN CNC(=O)CCCC(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000225442772 464160275 /nfs/dbraw/zinc/16/02/75/464160275.db2.gz YARNWFBNXINILQ-KRWDZBQOSA-N 0 0 331.460 2.339 40 0 EEABRN O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225457477 464161182 /nfs/dbraw/zinc/16/11/82/464161182.db2.gz SWWBXGVETPIMDW-QAPCUYQASA-N 0 0 339.395 2.160 40 0 EEABRN Cc1nc(C)n(C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000225484893 464164717 /nfs/dbraw/zinc/16/47/17/464164717.db2.gz ZALQUDRBKLQNEC-LBPRGKRZSA-N 0 0 344.184 2.236 40 0 EEABRN CCS(=O)(=O)c1ccccc1NCCn1c2ccccc2[nH]c1=O ZINC000225520712 464167958 /nfs/dbraw/zinc/16/79/58/464167958.db2.gz LNHIXTMMAWKZEI-UHFFFAOYSA-N 0 0 345.424 2.235 40 0 EEABRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCCc2ccncc2C)C1 ZINC000270059202 464174942 /nfs/dbraw/zinc/17/49/42/464174942.db2.gz GUTHPPOHBBWBNC-SYJLOODJSA-N 0 0 337.489 2.312 40 0 EEABRN CCn1cc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cn1 ZINC000225710653 464182617 /nfs/dbraw/zinc/18/26/17/464182617.db2.gz IZJPWIVNQCJWCC-UHFFFAOYSA-N 0 0 343.427 2.146 40 0 EEABRN C[C@@]1(NC(=O)c2c(F)cccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000188308253 464251004 /nfs/dbraw/zinc/25/10/04/464251004.db2.gz QZHXXXSKEVVANN-GFCCVEGCSA-N 0 0 339.310 2.152 40 0 EEABRN CCN1CC[C@@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351876 464442008 /nfs/dbraw/zinc/44/20/08/464442008.db2.gz AAGQPRJGKOLKTB-UKRRQHHQSA-N 0 0 348.390 2.321 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)Cc3ccccc3C)CC2)n1 ZINC000240002269 464445333 /nfs/dbraw/zinc/44/53/33/464445333.db2.gz PQVHZZGKSHIZTB-UHFFFAOYSA-N 0 0 340.427 2.127 40 0 EEABRN CNS(=O)(=O)c1cccc2c1CCN([C@@H](C)c1ccccn1)C2 ZINC000240894776 464449044 /nfs/dbraw/zinc/44/90/44/464449044.db2.gz IPUHTFJQCAGXOD-ZDUSSCGKSA-N 0 0 331.441 2.109 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@H](CO)c2cccc(F)c2)C1 ZINC000245339179 464471059 /nfs/dbraw/zinc/47/10/59/464471059.db2.gz RBLZMUHGCWJVJN-XJKCOSOUSA-N 0 0 344.452 2.014 40 0 EEABRN CC(C)N1CC[C@H](S(=O)(=O)c2cccc(C(F)(F)F)c2)C1=O ZINC000189349671 464481956 /nfs/dbraw/zinc/48/19/56/464481956.db2.gz OGNOYPYPDPGJKH-LBPRGKRZSA-N 0 0 335.347 2.488 40 0 EEABRN Cc1cc(Br)oc1C(=O)N[C@H](CO)Cc1ccncc1 ZINC000281997150 464662930 /nfs/dbraw/zinc/66/29/30/464662930.db2.gz VYTYEVMGCPYVNS-NSHDSACASA-N 0 0 339.189 2.079 40 0 EEABRN O=C(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1 ZINC000247505647 464687428 /nfs/dbraw/zinc/68/74/28/464687428.db2.gz RJJJTMDIQPTZQC-GOSISDBHSA-N 0 0 336.395 2.463 40 0 EEABRN c1ccc(OCC[C@H]2CO[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]23)nc1 ZINC000247856909 464710911 /nfs/dbraw/zinc/71/09/11/464710911.db2.gz XZRBIXQTNYDVJF-BZSNNMDCSA-N 0 0 325.412 2.393 40 0 EEABRN CCCOc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c(C)c1 ZINC000190795508 464723295 /nfs/dbraw/zinc/72/32/95/464723295.db2.gz OAOWVEMFHNCWME-HNNXBMFYSA-N 0 0 343.431 2.190 40 0 EEABRN COc1ccccc1CN1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000248119162 464730606 /nfs/dbraw/zinc/73/06/06/464730606.db2.gz CWEXIOFQCCOPOI-MRXNPFEDSA-N 0 0 341.411 2.298 40 0 EEABRN Cn1cc(CN2CC3(C2)OCC[C@H]3CCOc2ncccc2F)cn1 ZINC000248110696 464731175 /nfs/dbraw/zinc/73/11/75/464731175.db2.gz HBKJRPDZCABEHY-OAHLLOKOSA-N 0 0 346.406 2.014 40 0 EEABRN Cn1cc([C@@H]2CSCCN2Cc2nnc(-c3ccco3)o2)cn1 ZINC000191209620 464798422 /nfs/dbraw/zinc/79/84/22/464798422.db2.gz OTSZIZOMWNEHMI-LBPRGKRZSA-N 0 0 331.401 2.353 40 0 EEABRN C[C@H]1CN(C(=O)N[C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000192206654 464884675 /nfs/dbraw/zinc/88/46/75/464884675.db2.gz NFYAISLARXBYIR-WCQYABFASA-N 0 0 342.486 2.202 40 0 EEABRN C[C@@H](O)CNC(=O)NCCc1cc(Cl)ccc1Br ZINC000192532299 464942998 /nfs/dbraw/zinc/94/29/98/464942998.db2.gz GLCSUFMGPWLTRE-MRVPVSSYSA-N 0 0 335.629 2.325 40 0 EEABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCCC3)cc2NC1=O ZINC000252482687 464962255 /nfs/dbraw/zinc/96/22/55/464962255.db2.gz DMCBARXKMGUDJB-HNNXBMFYSA-N 0 0 338.429 2.361 40 0 EEABRN COCCOC1CCN(c2nn3c(C)nnc3c3ccccc32)CC1 ZINC000252490455 464966762 /nfs/dbraw/zinc/96/67/62/464966762.db2.gz KTXAZRSHCDAKMG-UHFFFAOYSA-N 0 0 341.415 2.218 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000252490033 464966772 /nfs/dbraw/zinc/96/67/72/464966772.db2.gz KHRQEYAKQOKVCM-HNNXBMFYSA-N 0 0 342.443 2.165 40 0 EEABRN O=S1(=O)CCCN1c1cc(NC[C@@H]2CCC=CO2)ccc1F ZINC000252497452 464969652 /nfs/dbraw/zinc/96/96/52/464969652.db2.gz QICLQJDOPAUDOQ-ZDUSSCGKSA-N 0 0 326.393 2.470 40 0 EEABRN CCOCC[C@H]1CCOC12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000253383315 464996641 /nfs/dbraw/zinc/99/66/41/464996641.db2.gz LDLBJSKIFHHKHL-AWEZNQCLSA-N 0 0 333.384 2.073 40 0 EEABRN CO[C@H](CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 ZINC000253393237 464999283 /nfs/dbraw/zinc/99/92/83/464999283.db2.gz WXNVPADEZYUWFS-HUUCEWRRSA-N 0 0 349.406 2.014 40 0 EEABRN Cn1cnnc1[C@@H]1CCCN1C(=O)NCCc1cccc2[nH]ccc21 ZINC000253397859 465001565 /nfs/dbraw/zinc/00/15/65/465001565.db2.gz DNZKUZZTMSSDEG-INIZCTEOSA-N 0 0 338.415 2.386 40 0 EEABRN O=C(CCCc1ccccc1)N1CCN(c2ncc(F)cn2)CC1 ZINC000253419477 465007719 /nfs/dbraw/zinc/00/77/19/465007719.db2.gz NSEYIOCSNFITPA-UHFFFAOYSA-N 0 0 328.391 2.287 40 0 EEABRN CCC(=O)N1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306127171 466488836 /nfs/dbraw/zinc/48/88/36/466488836.db2.gz FQMOJXFOTDLISE-GJZGRUSLSA-N 0 0 344.440 2.071 40 0 EEABRN CCn1cc(CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)cn1 ZINC000555849293 468497919 /nfs/dbraw/zinc/49/79/19/468497919.db2.gz UULMEEZOTRYQMI-CYBMUJFWSA-N 0 0 326.400 2.091 40 0 EEABRN O=C(c1ccco1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F ZINC000408951885 466684588 /nfs/dbraw/zinc/68/45/88/466684588.db2.gz JFMKGEHDHCPKCZ-ZDUSSCGKSA-N 0 0 325.246 2.176 40 0 EEABRN O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NC1CC1 ZINC000409173600 466685286 /nfs/dbraw/zinc/68/52/86/466685286.db2.gz MEOWBGGDAJLTJX-ZHACJKMWSA-N 0 0 346.408 2.050 40 0 EEABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409189491 466686503 /nfs/dbraw/zinc/68/65/03/466686503.db2.gz HBYRYWYVDDEZQF-GFCCVEGCSA-N 0 0 342.461 2.057 40 0 EEABRN NC(=O)c1ccc(CN2CCC=C(Br)C2)c([N+](=O)[O-])c1 ZINC000390835161 467415208 /nfs/dbraw/zinc/41/52/08/467415208.db2.gz FNMJDGYSVLDRSC-UHFFFAOYSA-N 0 0 340.177 2.178 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575402553 468140670 /nfs/dbraw/zinc/14/06/70/468140670.db2.gz BWVIZAPLQPDKOF-ILMPWQCYSA-N 0 0 330.428 2.118 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000575403256 468140734 /nfs/dbraw/zinc/14/07/34/468140734.db2.gz GOOPQDZFSGIIGM-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN O=C(NC[C@@H](OCCO)c1cccs1)c1noc2c1CCCC2 ZINC000575606582 468146963 /nfs/dbraw/zinc/14/69/63/468146963.db2.gz MXFKRMKKVGDVGF-CYBMUJFWSA-N 0 0 336.413 2.095 40 0 EEABRN Cc1nc(C(=O)NCC2(c3ccccc3Br)CC2)n(C)n1 ZINC000582887840 468610946 /nfs/dbraw/zinc/61/09/46/468610946.db2.gz ONZRBUGWLPHERM-UHFFFAOYSA-N 0 0 349.232 2.348 40 0 EEABRN O=C(c1cnccn1)N1Cc2cncn2CC[C@@H]1COc1ccccc1 ZINC000585097833 468965366 /nfs/dbraw/zinc/96/53/66/468965366.db2.gz RMSHWNQOGLCRHU-OAHLLOKOSA-N 0 0 349.394 2.167 40 0 EEABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccco1)C2)c1ccco1 ZINC000585103078 468971065 /nfs/dbraw/zinc/97/10/65/468971065.db2.gz PQZPBLALMLIORM-CQSZACIVSA-N 0 0 330.384 2.284 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111355 468975315 /nfs/dbraw/zinc/97/53/15/468975315.db2.gz QGWAYBNFXZBUBW-CMPLNLGQSA-N 0 0 335.358 2.182 40 0 EEABRN CC(=O)N[C@@H](C(=O)Nc1ccc(Oc2cccnn2)cc1)C(C)C ZINC000585123970 468982705 /nfs/dbraw/zinc/98/27/05/468982705.db2.gz VFZHOFXUGSWLIU-MRXNPFEDSA-N 0 0 328.372 2.368 40 0 EEABRN CCCCOc1ccccc1NC(=O)NCC1CS(=O)(=O)C1 ZINC000585140803 468989940 /nfs/dbraw/zinc/98/99/40/468989940.db2.gz LCDQCZXPOONYGN-UHFFFAOYSA-N 0 0 326.418 2.032 40 0 EEABRN Cc1csc(-c2cc(C)nc([C@@H]3CCCN3S(C)(=O)=O)n2)n1 ZINC000585179627 468993934 /nfs/dbraw/zinc/99/39/34/468993934.db2.gz OTNDIMUDBNWVRG-LBPRGKRZSA-N 0 0 338.458 2.313 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585275354 468999322 /nfs/dbraw/zinc/99/93/22/468999322.db2.gz AVPXEICWFCGPJV-IBGZPJMESA-N 0 0 343.427 2.196 40 0 EEABRN CCc1cnc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)nc1 ZINC000585277421 469002008 /nfs/dbraw/zinc/00/20/08/469002008.db2.gz UMFNAEUFVBQNBF-NVXWUHKLSA-N 0 0 343.402 2.244 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@H]1CC(N)=O ZINC000585277739 469003867 /nfs/dbraw/zinc/00/38/67/469003867.db2.gz XMXYVCBCVPAZIU-RHSMWYFYSA-N 0 0 343.427 2.137 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)C[C@@H]1O ZINC000585288439 469009035 /nfs/dbraw/zinc/00/90/35/469009035.db2.gz AKCGNSDTFAQTDF-LLHDCHNASA-N 0 0 325.412 2.183 40 0 EEABRN Cc1cccnc1C(=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585285708 469009510 /nfs/dbraw/zinc/00/95/10/469009510.db2.gz RBCGENHIHZRGPM-MZMPZRCHSA-N 0 0 344.386 2.477 40 0 EEABRN C[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2)C[C@H]1CO ZINC000189667343 534312793 /nfs/dbraw/zinc/31/27/93/534312793.db2.gz JQLGAXXSUAGHKF-OCCSQVGLSA-N 0 0 326.824 2.126 40 0 EEABRN CCc1nccn1CC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000012143786 522579333 /nfs/dbraw/zinc/57/93/33/522579333.db2.gz AENYMZBNZYUXMH-UHFFFAOYSA-N 0 0 345.790 2.465 40 0 EEABRN Cc1cnc2c(c1)N(C(=O)CCOCC(F)(F)C(F)F)CCO2 ZINC000191937092 534665096 /nfs/dbraw/zinc/66/50/96/534665096.db2.gz DMOGYOLLJZKEOK-UHFFFAOYSA-N 0 0 336.285 2.423 40 0 EEABRN Cc1ccccc1C(=O)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 ZINC000019236786 525048842 /nfs/dbraw/zinc/04/88/42/525048842.db2.gz PXSWUYGMTOVXIV-INIZCTEOSA-N 0 0 348.410 2.348 40 0 EEABRN CC(C)=CCNC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000190688141 527436997 /nfs/dbraw/zinc/43/69/97/527436997.db2.gz NFIGXHRYVMFCID-UHFFFAOYSA-N 0 0 337.445 2.092 40 0 EEABRN CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709903 529358167 /nfs/dbraw/zinc/35/81/67/529358167.db2.gz ZHFFUIDPIQGYTB-GFCCVEGCSA-N 0 0 343.383 2.063 40 0 EEABRN Cc1nc(CNc2cccc(CN3CCNC(=O)C3)c2)sc1C ZINC000894576369 682978168 /nfs/dbraw/zinc/97/81/68/682978168.db2.gz YODLOEPCVDYUAK-UHFFFAOYSA-N 0 0 330.457 2.304 40 0 EEABRN O=C(NCCc1csc(=O)[nH]1)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000898606494 693392912 /nfs/dbraw/zinc/39/29/12/693392912.db2.gz JGECLMXGYQVOTF-UHFFFAOYSA-N 0 0 346.408 2.010 40 0 EEABRN CCc1ncc(NC(=O)N2CCC(Cc3noc(C)n3)CC2)cn1 ZINC000930491250 1206562185 /nfs/dbraw/zinc/56/21/85/1206562185.db2.gz PUTREFTYXVJWMP-UHFFFAOYSA-N 0 0 330.392 2.217 40 0 EEABRN CN(C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCCC3)n1 ZINC000931399418 1207370335 /nfs/dbraw/zinc/37/03/35/1207370335.db2.gz PNYAGSXSBJPTRF-UHFFFAOYSA-N 0 0 334.449 2.059 40 0 EEABRN O=C(c1cc(Cl)ccc1F)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549167680 1121135146 /nfs/dbraw/zinc/13/51/46/1121135146.db2.gz RBNFTJGQFCAPBK-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN CONC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000054721406 214252680 /nfs/dbraw/zinc/25/26/80/214252680.db2.gz HDNHPSDGAFNVGF-UHFFFAOYSA-N 0 0 330.306 2.235 40 0 EEABRN O=C(c1c(F)cc(F)cc1F)C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000173153940 230885182 /nfs/dbraw/zinc/88/51/82/230885182.db2.gz NJGXTDUFIOCNRJ-UHFFFAOYSA-N 0 0 347.358 2.491 40 0 EEABRN O=C(c1ccco1)C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(O)=C12 ZINC000100355143 219097579 /nfs/dbraw/zinc/09/75/79/219097579.db2.gz ZSSRQXHPMMZSJB-RISCZKNCSA-N 0 0 344.710 2.060 40 0 EEABRN C[C@H](c1nc(-c2ccncc2)no1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100459468 219099863 /nfs/dbraw/zinc/09/98/63/219099863.db2.gz DFWOHBVGYDXMMF-RTXFEEFZSA-N 0 0 326.356 2.368 40 0 EEABRN CCOC(=O)c1c(N)n(C(=O)c2ccccc2Cl)[nH]c1=S ZINC000100983773 219113124 /nfs/dbraw/zinc/11/31/24/219113124.db2.gz ATHJMSORVCJQQY-UHFFFAOYSA-N 0 0 325.777 2.103 40 0 EEABRN CCC(CC)n1ncc(C(=O)N2CCOC[C@H]2c2ncon2)c1C ZINC000253426048 282302310 /nfs/dbraw/zinc/30/23/10/282302310.db2.gz MZXOONADSNJRNK-AWEZNQCLSA-N 0 0 333.392 2.149 40 0 EEABRN Cn1cccc1/C=C1/SC(=O)N(CC(=O)N2CCCCCC2)C1=O ZINC000004383853 210184000 /nfs/dbraw/zinc/18/40/00/210184000.db2.gz FDHHJCYZIPORRL-SDNWHVSQSA-N 0 0 347.440 2.464 40 0 EEABRN Cc1ccccc1C[C@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000178815917 232513577 /nfs/dbraw/zinc/51/35/77/232513577.db2.gz AQJLVTREGGPXSV-ZFWWWQNUSA-N 0 0 340.489 2.006 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000044182822 213610821 /nfs/dbraw/zinc/61/08/21/213610821.db2.gz POEXOCSZDBTCDN-UHFFFAOYSA-N 0 0 349.481 2.424 40 0 EEABRN CC(C)n1[nH]ccc1=NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000103067170 219252303 /nfs/dbraw/zinc/25/23/03/219252303.db2.gz UYDQEQHUUFNZBN-SLDGYZHNSA-N 0 0 348.476 2.323 40 0 EEABRN CC(C)Cc1noc([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000041122648 213419956 /nfs/dbraw/zinc/41/99/56/213419956.db2.gz RZQMKLYMLYDSHA-OAHLLOKOSA-N 0 0 345.447 2.340 40 0 EEABRN O=C(CCn1ncc2c1cccc2Cl)NCCCn1ccnc1 ZINC000040769128 213384509 /nfs/dbraw/zinc/38/45/09/213384509.db2.gz ZSFURKGHOFVMSU-UHFFFAOYSA-N 0 0 331.807 2.483 40 0 EEABRN C[C@H](NC(N)=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000040488652 213318000 /nfs/dbraw/zinc/31/80/00/213318000.db2.gz PFVCAFULICJIEA-NSHDSACASA-N 0 0 341.371 2.326 40 0 EEABRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(=O)NC1CC1 ZINC000040480774 213315738 /nfs/dbraw/zinc/31/57/38/213315738.db2.gz KEQVJZZWZLYVML-UHFFFAOYSA-N 0 0 337.445 2.050 40 0 EEABRN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2n[nH]nc2c1 ZINC000040040749 213253559 /nfs/dbraw/zinc/25/35/59/213253559.db2.gz AIIPQRPYPXEBLH-UHFFFAOYSA-N 0 0 349.394 2.124 40 0 EEABRN CC(C)C(=O)NCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000039980559 213247758 /nfs/dbraw/zinc/24/77/58/213247758.db2.gz OEYCFBBBEUBYDS-UHFFFAOYSA-N 0 0 340.807 2.003 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1 ZINC000000796696 209686344 /nfs/dbraw/zinc/68/63/44/209686344.db2.gz HQFHWVCXHVEGJG-HNNXBMFYSA-N 0 0 338.473 2.168 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000000557674 209663743 /nfs/dbraw/zinc/66/37/43/209663743.db2.gz QMDPTJHFQWTGMH-UHFFFAOYSA-N 0 0 332.433 2.117 40 0 EEABRN Cc1cc(CN2CCc3c(=O)[nH]c(C)nc3C2)c(C)n1-c1cccnc1 ZINC000036735023 213114627 /nfs/dbraw/zinc/11/46/27/213114627.db2.gz QUAHSYXDJVUTDR-UHFFFAOYSA-N 0 0 349.438 2.439 40 0 EEABRN CCC(=O)Nc1nc(C)c(Cc2ccc(S(N)(=O)=O)cc2)s1 ZINC000036639167 213106809 /nfs/dbraw/zinc/10/68/09/213106809.db2.gz SUZXLWGKLPWLMT-UHFFFAOYSA-N 0 0 339.442 2.038 40 0 EEABRN Cc1cc(NC(=O)c2nc3ncccn3n2)nn1Cc1ccccc1C ZINC000036618762 213104104 /nfs/dbraw/zinc/10/41/04/213104104.db2.gz XOXUUAOQMHTGKY-UHFFFAOYSA-N 0 0 347.382 2.238 40 0 EEABRN Cc1n[nH]c(C)c1Cc1ccc(C(=O)NCCCn2ccnc2)o1 ZINC000035670808 213044951 /nfs/dbraw/zinc/04/49/51/213044951.db2.gz FLMBVLDKLPGWLR-UHFFFAOYSA-N 0 0 327.388 2.227 40 0 EEABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000081632116 283380323 /nfs/dbraw/zinc/38/03/23/283380323.db2.gz ZENVHYXUSPMXTO-JTQLQIEISA-N 0 0 326.828 2.252 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000033103756 212898816 /nfs/dbraw/zinc/89/88/16/212898816.db2.gz FIVWYEYAXSIUID-UHFFFAOYSA-N 0 0 340.427 2.454 40 0 EEABRN CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(N)=O ZINC000000419154 209582276 /nfs/dbraw/zinc/58/22/76/209582276.db2.gz WFNNOAQIHKJCDB-UHFFFAOYSA-N 0 0 340.836 2.416 40 0 EEABRN CCc1nn(C)cc1CNC(=O)NCc1ccc(C)cc1N(C)C ZINC000093142918 237047218 /nfs/dbraw/zinc/04/72/18/237047218.db2.gz NVBIGWXDFPMHKQ-UHFFFAOYSA-N 0 0 329.448 2.356 40 0 EEABRN CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000000410639 209574317 /nfs/dbraw/zinc/57/43/17/209574317.db2.gz YKEWTEAZVQIORQ-UHFFFAOYSA-N 0 0 328.397 2.425 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@H]1CCC(=O)N1Cc1cccs1 ZINC000072239665 216078289 /nfs/dbraw/zinc/07/82/89/216078289.db2.gz RPKGCSPHDWUHKA-CYBMUJFWSA-N 0 0 332.429 2.228 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2ccccc2)C1 ZINC000072365853 216172055 /nfs/dbraw/zinc/17/20/55/216172055.db2.gz ZHTWJVJJRSFGES-AWEZNQCLSA-N 0 0 331.441 2.358 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000072366817 216172064 /nfs/dbraw/zinc/17/20/64/216172064.db2.gz WTBWWDWQRPKXGP-CYBMUJFWSA-N 0 0 341.383 2.429 40 0 EEABRN Nc1nc2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)ccc2s1 ZINC000072368304 216174159 /nfs/dbraw/zinc/17/41/59/216174159.db2.gz UHQSDAABCSOUQG-SNVBAGLBSA-N 0 0 340.412 2.083 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)cn1 ZINC000072392173 216191484 /nfs/dbraw/zinc/19/14/84/216191484.db2.gz FWKVXMRJHFYTHX-CQSZACIVSA-N 0 0 342.399 2.012 40 0 EEABRN O=C(Nc1ccccc1C(=O)NC1CCCC1)C(=O)NC1CCCC1 ZINC000408709773 238296527 /nfs/dbraw/zinc/29/65/27/238296527.db2.gz WXPGZGOXPAGUMX-UHFFFAOYSA-N 0 0 343.427 2.356 40 0 EEABRN Cc1ccsc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000072534003 216269905 /nfs/dbraw/zinc/26/99/05/216269905.db2.gz FMFDQIWBNZAQRC-CQSZACIVSA-N 0 0 336.457 2.300 40 0 EEABRN Cc1cc(F)c(Br)cc1NCC(=O)N1CCOCC1 ZINC000190867680 238776642 /nfs/dbraw/zinc/77/66/42/238776642.db2.gz VYGNYANLVIFKBI-UHFFFAOYSA-N 0 0 331.185 2.167 40 0 EEABRN Cc1ccoc1C(=O)NC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000073213193 216365193 /nfs/dbraw/zinc/36/51/93/216365193.db2.gz AIKYQUJFBXEKMB-INIZCTEOSA-N 0 0 342.395 2.042 40 0 EEABRN Cc1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1Br ZINC000191731100 239271880 /nfs/dbraw/zinc/27/18/80/239271880.db2.gz XSHWRCPCVPNZQM-UHFFFAOYSA-N 0 0 335.201 2.386 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCCN1Cc1nnsc1Cl ZINC000074314097 216475730 /nfs/dbraw/zinc/47/57/30/216475730.db2.gz FFMPPGZYDQDZDS-MRVPVSSYSA-N 0 0 329.838 2.251 40 0 EEABRN Cc1ccc2c(c1)N(Cc1cnn([C@@H]3CCS(=O)(=O)C3)c1)CC2 ZINC000195556549 241005142 /nfs/dbraw/zinc/00/51/42/241005142.db2.gz ASEACDJXNQOYMF-MRXNPFEDSA-N 0 0 331.441 2.114 40 0 EEABRN CO[C@@H](C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 ZINC000195556222 241005336 /nfs/dbraw/zinc/00/53/36/241005336.db2.gz ANWLPOCTYPARPM-QGZVFWFLSA-N 0 0 329.375 2.257 40 0 EEABRN COc1ccc(C(=O)N2CCCN(c3nc(C)cnc3C)CC2)cc1 ZINC000195563858 241012600 /nfs/dbraw/zinc/01/26/00/241012600.db2.gz MGOROPHTVUEUNW-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN O=C(NCCc1ccccc1OC(F)F)N[C@@H]1CCCC[C@@H]1O ZINC000195577831 241023987 /nfs/dbraw/zinc/02/39/87/241023987.db2.gz FYMQRXIIABAKLR-OLZOCXBDSA-N 0 0 328.359 2.433 40 0 EEABRN CCOC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225544086 241919752 /nfs/dbraw/zinc/91/97/52/241919752.db2.gz GSISIPOURYKOQY-UHFFFAOYSA-N 0 0 348.378 2.111 40 0 EEABRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2)N1CCCCCC1=O ZINC000227115605 242120752 /nfs/dbraw/zinc/12/07/52/242120752.db2.gz YOIBXXVEQVHUOW-LBPRGKRZSA-N 0 0 329.400 2.002 40 0 EEABRN Cc1nn2c(ncc(C(=O)N3CCN(C)CC3)c2C)c1-c1ccccc1 ZINC000021537926 212230309 /nfs/dbraw/zinc/23/03/09/212230309.db2.gz FZUZOYJLYYZLSY-UHFFFAOYSA-N 0 0 349.438 2.401 40 0 EEABRN Cc1cncc(O[C@@H]2CCOC3(CN(Cc4nccs4)C3)C2)n1 ZINC000253601371 244035229 /nfs/dbraw/zinc/03/52/29/244035229.db2.gz QQQWVMFVFNHXNH-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN NS(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2O)CCCC3)c1 ZINC000255190772 244048908 /nfs/dbraw/zinc/04/89/08/244048908.db2.gz ZIIHQVFGBZTUAN-UHFFFAOYSA-N 0 0 346.408 2.171 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1F ZINC000257206866 244137984 /nfs/dbraw/zinc/13/79/84/244137984.db2.gz BFFWZOHSMVJNKG-QAPCUYQASA-N 0 0 348.418 2.421 40 0 EEABRN O=C(CCc1cccs1)NC[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257201463 244122574 /nfs/dbraw/zinc/12/25/74/244122574.db2.gz AHUWFTCXCDBMAP-GOSISDBHSA-N 0 0 345.468 2.223 40 0 EEABRN Cc1cc(CC[C@H]2CCCN2C(=O)c2cc(C)nc(=O)[nH]2)ccn1 ZINC000257216679 244169241 /nfs/dbraw/zinc/16/92/41/244169241.db2.gz CVQXEDKKBOXZNC-OAHLLOKOSA-N 0 0 326.400 2.431 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)s1 ZINC000257245569 244255116 /nfs/dbraw/zinc/25/51/16/244255116.db2.gz IQEGTDBHBKHQPV-AWEZNQCLSA-N 0 0 333.413 2.003 40 0 EEABRN COCc1c(C)onc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257235960 244229666 /nfs/dbraw/zinc/22/96/66/244229666.db2.gz HAGFIMFIWVGDQL-CQSZACIVSA-N 0 0 346.387 2.091 40 0 EEABRN CC(=O)N1CCC(c2nc(C)cc(-c3cnc4ncccn34)n2)CC1 ZINC000257239063 244239415 /nfs/dbraw/zinc/23/94/15/244239415.db2.gz HNUGCXQLAXRSNG-UHFFFAOYSA-N 0 0 336.399 2.221 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1ccnc(=O)[nH]1 ZINC000257256661 244285098 /nfs/dbraw/zinc/28/50/98/244285098.db2.gz KMJXGUMBXLVRCB-OAHLLOKOSA-N 0 0 327.384 2.405 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257268280 244366451 /nfs/dbraw/zinc/36/64/51/244366451.db2.gz MKZKXWHUOFLOBB-OAHLLOKOSA-N 0 0 336.399 2.287 40 0 EEABRN CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)C(C)(C)C ZINC000257269784 244371982 /nfs/dbraw/zinc/37/19/82/244371982.db2.gz MRJDAYSMNSQZEQ-CYBMUJFWSA-N 0 0 343.431 2.189 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCO[C@H](c4nc(C)c[nH]4)C3)c2c1 ZINC000257285208 244417133 /nfs/dbraw/zinc/41/71/33/244417133.db2.gz PGCMORDHVAVECK-INIZCTEOSA-N 0 0 340.383 2.422 40 0 EEABRN CCN(C(C)=O)[C@H]1CCOC2(CCN(c3nc(C)cc(C)n3)CC2)C1 ZINC000257291689 244436971 /nfs/dbraw/zinc/43/69/71/244436971.db2.gz QIEMAHCIIJHAJD-KRWDZBQOSA-N 0 0 346.475 2.480 40 0 EEABRN COc1cccc(C[C@@H]2COCCN(C(=O)C3CCOCC3)C2)c1 ZINC000257297370 244452312 /nfs/dbraw/zinc/45/23/12/244452312.db2.gz RGYSRABMDGYFIM-INIZCTEOSA-N 0 0 333.428 2.139 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@@H](c3ccncn3)C2)n1 ZINC000257323723 244526894 /nfs/dbraw/zinc/52/68/94/244526894.db2.gz WLPIIUYGWSICQG-CYBMUJFWSA-N 0 0 329.404 2.322 40 0 EEABRN Cc1cccn2cc(C(=O)N3CC[C@@H](C(=O)NC4CCCC4)C3)nc12 ZINC000019750375 212062075 /nfs/dbraw/zinc/06/20/75/212062075.db2.gz NCOGDVORFOEQMA-CQSZACIVSA-N 0 0 340.427 2.164 40 0 EEABRN COc1ccc(C(=O)N2CCC(c3cc(=O)cc(C)[nH]3)CC2)cn1 ZINC000019570400 212043714 /nfs/dbraw/zinc/04/37/14/212043714.db2.gz GASMWFHUWPBRHW-UHFFFAOYSA-N 0 0 327.384 2.107 40 0 EEABRN O=C([O-])[C@@H]1[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]2CC[C@H]1C2 ZINC000006700008 304159559 /nfs/dbraw/zinc/15/95/59/304159559.db2.gz KRHNZEPQXTXLJB-WTTBNOFXSA-N 0 0 334.460 2.210 40 0 EEABRN Cc1ccc(CN(CCCN2CCOCC2)Cc2cncn2C)o1 ZINC000019216462 212005893 /nfs/dbraw/zinc/00/58/93/212005893.db2.gz RSNXRMKGOUBICX-UHFFFAOYSA-N 0 0 332.448 2.046 40 0 EEABRN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 ZINC000078780264 217119883 /nfs/dbraw/zinc/11/98/83/217119883.db2.gz QRNRRCUTKXJIGQ-NSHDSACASA-N 0 0 339.351 2.343 40 0 EEABRN Cc1ccc(OCC(=O)NCCc2nc(-c3ccco3)n[nH]2)cc1 ZINC000078777915 217120359 /nfs/dbraw/zinc/12/03/59/217120359.db2.gz DYMOORSCXUFENF-UHFFFAOYSA-N 0 0 326.356 2.111 40 0 EEABRN COc1cccc(N2CC[C@H](CNC(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000078979591 217162792 /nfs/dbraw/zinc/16/27/92/217162792.db2.gz XXVOMKUJKWYRIT-OAHLLOKOSA-N 0 0 342.443 2.302 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccccc1Br ZINC000079042297 217180284 /nfs/dbraw/zinc/18/02/84/217180284.db2.gz NASCKOGDZQLJQX-SNVBAGLBSA-N 0 0 348.262 2.344 40 0 EEABRN C[C@H](c1ccccc1F)N1CCN(C(=O)CCCn2cncn2)CC1 ZINC000079049916 217181686 /nfs/dbraw/zinc/18/16/86/217181686.db2.gz SFHIHMHBQUFKBQ-OAHLLOKOSA-N 0 0 345.422 2.103 40 0 EEABRN Cc1cccnc1CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079001410 217171345 /nfs/dbraw/zinc/17/13/45/217171345.db2.gz KJYFULWDDIWOTN-HOTGVXAUSA-N 0 0 329.444 2.435 40 0 EEABRN C[C@H](Oc1ccccc1Br)C(=O)NCCC[S@@](C)=O ZINC000079001730 217172649 /nfs/dbraw/zinc/17/26/49/217172649.db2.gz FGDGPQOOBPASHT-OVWNDWIMSA-N 0 0 348.262 2.101 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C(=O)CCc1cccc(F)c1)C1CC1 ZINC000079093924 217189993 /nfs/dbraw/zinc/18/99/93/217189993.db2.gz BJCSXWSVDZYDHT-LBPRGKRZSA-N 0 0 327.421 2.182 40 0 EEABRN O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000079310284 217206906 /nfs/dbraw/zinc/20/69/06/217206906.db2.gz XIMFDVDTZZMGRC-MCIONIFRSA-N 0 0 327.833 2.137 40 0 EEABRN O=c1n(CCCNc2ncccc2C(F)(F)F)nc2n1CCCC2 ZINC000079311217 217207541 /nfs/dbraw/zinc/20/75/41/217207541.db2.gz NYXWIFHFYIMBHW-UHFFFAOYSA-N 0 0 341.337 2.297 40 0 EEABRN COC(=O)[C@H](NC(=O)c1cc(C)nc2onc(C)c21)c1ccccc1 ZINC000079324744 217208754 /nfs/dbraw/zinc/20/87/54/217208754.db2.gz HGKVSJNHZGKAHX-OAHLLOKOSA-N 0 0 339.351 2.484 40 0 EEABRN CC(C)[C@H](OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1 ZINC000015935647 211869827 /nfs/dbraw/zinc/86/98/27/211869827.db2.gz SHHNALJFGRQMIB-KRWDZBQOSA-N 0 0 344.415 2.058 40 0 EEABRN O=S(=O)(C[C@H]1CCCCO1)NCCc1nc2ccccc2s1 ZINC000080651298 217322626 /nfs/dbraw/zinc/32/26/26/217322626.db2.gz OALJGSWQRXEHOI-GFCCVEGCSA-N 0 0 340.470 2.327 40 0 EEABRN CN(Cc1ncnn1C)C(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000081072100 217358315 /nfs/dbraw/zinc/35/83/15/217358315.db2.gz JXBVVPHMYTWRBQ-UHFFFAOYSA-N 0 0 328.351 2.409 40 0 EEABRN C[C@H](CNC(=O)CCn1ccccc1=O)Oc1ccc(Cl)cc1 ZINC000081349574 217385696 /nfs/dbraw/zinc/38/56/96/217385696.db2.gz GGSSFDSHLANBLC-CYBMUJFWSA-N 0 0 334.803 2.476 40 0 EEABRN CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2ccc(Br)o2)C1 ZINC000083961401 217566511 /nfs/dbraw/zinc/56/65/11/217566511.db2.gz TXNIQVMUXHKNSH-SFYZADRCSA-N 0 0 337.191 2.165 40 0 EEABRN O=C(C1CCCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000013267481 211540092 /nfs/dbraw/zinc/54/00/92/211540092.db2.gz JSVGFQVOONEJKF-UHFFFAOYSA-N 0 0 326.400 2.145 40 0 EEABRN O=C(CC1CCCC1)N1CCc2c(=O)[nH]c(-c3cnccn3)nc2C1 ZINC000012258198 211331569 /nfs/dbraw/zinc/33/15/69/211331569.db2.gz YFZFNDINIQPLGL-UHFFFAOYSA-N 0 0 339.399 2.104 40 0 EEABRN CC(C)n1c(=O)n(CC(=O)NCc2cccs2)c2cccnc21 ZINC000012117545 211296759 /nfs/dbraw/zinc/29/67/59/211296759.db2.gz BTTHVPHPPYKETG-UHFFFAOYSA-N 0 0 330.413 2.157 40 0 EEABRN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114780 211294548 /nfs/dbraw/zinc/29/45/48/211294548.db2.gz PCZFQQHYTPOMHC-SECBINFHSA-N 0 0 328.763 2.406 40 0 EEABRN O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccc(O)c1)C2 ZINC000012142862 211305482 /nfs/dbraw/zinc/30/54/82/211305482.db2.gz KIXNZSPDEKXLAU-UHFFFAOYSA-N 0 0 334.379 2.096 40 0 EEABRN C[C@H]1CCCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)C1 ZINC000010541342 211180321 /nfs/dbraw/zinc/18/03/21/211180321.db2.gz KIWGYBYIKGQETK-LBPRGKRZSA-N 0 0 344.864 2.365 40 0 EEABRN COc1cncc(N2CCN(c3ncnc4c(C)cccc43)CC2)n1 ZINC000095426273 218368312 /nfs/dbraw/zinc/36/83/12/218368312.db2.gz DVUCVGUKKSCFET-UHFFFAOYSA-N 0 0 336.399 2.063 40 0 EEABRN Fc1cnc(N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040357 218522999 /nfs/dbraw/zinc/52/29/99/218522999.db2.gz DUEZAYWWSGIIKG-CRAIPNDOSA-N 0 0 344.390 2.465 40 0 EEABRN COCCNC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1N ZINC000007499942 210808027 /nfs/dbraw/zinc/80/80/27/210808027.db2.gz FWFLSKIWKJTCTL-UHFFFAOYSA-N 0 0 339.442 2.235 40 0 EEABRN O=C(c1ccsc1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 ZINC000096058663 218550512 /nfs/dbraw/zinc/55/05/12/218550512.db2.gz VOLMXGSLXYBHNE-GFCCVEGCSA-N 0 0 329.425 2.283 40 0 EEABRN O=C(c1ccncc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104396 218597159 /nfs/dbraw/zinc/59/71/59/218597159.db2.gz HKBBZEYJPRHXGN-UHFFFAOYSA-N 0 0 336.800 2.033 40 0 EEABRN COC[C@H]1COCCC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096106277 218598702 /nfs/dbraw/zinc/59/87/02/218598702.db2.gz QQRRPAFFTNCDSR-HNNXBMFYSA-N 0 0 339.457 2.140 40 0 EEABRN Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)c1 ZINC000096192165 218661091 /nfs/dbraw/zinc/66/10/91/218661091.db2.gz OAORDUVSNJGVNP-CQSZACIVSA-N 0 0 341.415 2.234 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2 ZINC000096197419 218666715 /nfs/dbraw/zinc/66/67/15/218666715.db2.gz YYXOOUZBIJFBDN-UHFFFAOYSA-N 0 0 342.418 2.454 40 0 EEABRN COc1nn(C)c2c1CCCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096254484 218724027 /nfs/dbraw/zinc/72/40/27/218724027.db2.gz ZDQVDTJOUMEMEF-UHFFFAOYSA-N 0 0 332.379 2.226 40 0 EEABRN O=C(OCCNC(=O)c1cncc(Br)c1)c1ccco1 ZINC000096410836 218765488 /nfs/dbraw/zinc/76/54/88/218765488.db2.gz DCDLBETURZMNCV-UHFFFAOYSA-N 0 0 339.145 2.024 40 0 EEABRN C[C@@H](NC(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccc(F)cc1 ZINC000096413459 218770600 /nfs/dbraw/zinc/77/06/00/218770600.db2.gz CBYAJXIVOOLJJE-YDGUKXNOSA-N 0 0 348.399 2.379 40 0 EEABRN CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F ZINC000096419081 218782332 /nfs/dbraw/zinc/78/23/32/218782332.db2.gz SIZZJYZXTVQQJE-HZMBPMFUSA-N 0 0 331.384 2.357 40 0 EEABRN CCCNC(=O)c1cccc(C(=O)N[C@@H](C)c2cn(C)nc2C)c1 ZINC000096420541 218784496 /nfs/dbraw/zinc/78/44/96/218784496.db2.gz ZRYAMHIHOMDYMH-LBPRGKRZSA-N 0 0 328.416 2.359 40 0 EEABRN CC(C)(C)CCCC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000096432225 218807553 /nfs/dbraw/zinc/80/75/53/218807553.db2.gz JDZLOCHJSUJZPL-GFCCVEGCSA-N 0 0 327.450 2.398 40 0 EEABRN C[C@@H](SCC(=O)NCc1ccnn1C)c1nc2ccccc2[nH]1 ZINC000096445232 218826820 /nfs/dbraw/zinc/82/68/20/218826820.db2.gz ONDFJTPUTCLRJK-LLVKDONJSA-N 0 0 329.429 2.407 40 0 EEABRN O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCS(=O)(=O)CC1 ZINC000096445239 218826956 /nfs/dbraw/zinc/82/69/56/218826956.db2.gz LFUOXIAWPUAQSQ-SNAWJCMRSA-N 0 0 347.358 2.412 40 0 EEABRN CCN(C[C@H]1CCN(c2cc(Cl)nc(N)n2)C1)CC(F)(F)F ZINC000096449432 218832670 /nfs/dbraw/zinc/83/26/70/218832670.db2.gz IGODTPJBMQQDFB-SECBINFHSA-N 0 0 337.777 2.423 40 0 EEABRN Cc1nc(CCNS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1 ZINC000096461889 218844286 /nfs/dbraw/zinc/84/42/86/218844286.db2.gz BYXVUWGSYZWAIR-UHFFFAOYSA-N 0 0 339.486 2.347 40 0 EEABRN O=C(N[C@H]1COc2ccccc21)N1CCN(Cc2ccccn2)CC1 ZINC000097096528 218951210 /nfs/dbraw/zinc/95/12/10/218951210.db2.gz XCEFOOBAHOMFCG-KRWDZBQOSA-N 0 0 338.411 2.043 40 0 EEABRN CCOC(=O)CCCC(=O)N(CC(=O)OCC)Cc1ccccc1 ZINC000005062755 210380301 /nfs/dbraw/zinc/38/03/01/210380301.db2.gz ADFOJOXOUAWHHT-UHFFFAOYSA-N 0 0 335.400 2.312 40 0 EEABRN O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N(CCO)CCO ZINC000004974187 210345000 /nfs/dbraw/zinc/34/50/00/210345000.db2.gz UWKZKLONMLKSDP-QGZVFWFLSA-N 0 0 348.830 2.306 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)s2)o1 ZINC000097237741 219003610 /nfs/dbraw/zinc/00/36/10/219003610.db2.gz AXJFRGNEMCTHOI-JQWIXIFHSA-N 0 0 334.397 2.079 40 0 EEABRN O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000097227749 218999127 /nfs/dbraw/zinc/99/91/27/218999127.db2.gz LPDJZXOAKXRHLB-AWEZNQCLSA-N 0 0 339.395 2.012 40 0 EEABRN CCN1C(=O)[C@H]2C(=O)N(C)C(c3ccccc3)(c3ccccc3)[C@H]2C1=O ZINC000101628425 285175691 /nfs/dbraw/zinc/17/56/91/285175691.db2.gz XIWFSNBYZJUVSZ-IAGOWNOFSA-N 0 0 348.402 2.023 40 0 EEABRN COc1ccc(-c2ccc(CNC(=O)N3CCNC(=O)C3)s2)cc1 ZINC000176525582 533181382 /nfs/dbraw/zinc/18/13/82/533181382.db2.gz OBQGJCZMEGOCAW-UHFFFAOYSA-N 0 0 345.424 2.065 40 0 EEABRN C[C@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000274183869 256361846 /nfs/dbraw/zinc/36/18/46/256361846.db2.gz PGWKTAWUSGUCRF-DOMZBBRYSA-N 0 0 327.421 2.355 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000155186258 224373735 /nfs/dbraw/zinc/37/37/35/224373735.db2.gz LXRDTQRNYWEPIS-ZDUSSCGKSA-N 0 0 327.384 2.382 40 0 EEABRN COc1cccc([C@@H]2[C@@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)c1 ZINC000072227074 257686322 /nfs/dbraw/zinc/68/63/22/257686322.db2.gz VNQBYXOTYICALP-QZTJIDSGSA-N 0 0 342.395 2.123 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@@H](C)O1 ZINC000252506146 257999872 /nfs/dbraw/zinc/99/98/72/257999872.db2.gz QRTZUUSWXNRGED-BRXULGCHSA-N 0 0 336.457 2.293 40 0 EEABRN CS(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)Cc1ccccc1 ZINC000190061073 533379247 /nfs/dbraw/zinc/37/92/47/533379247.db2.gz NFPROTKERBELQI-UHFFFAOYSA-N 0 0 347.362 2.364 40 0 EEABRN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000172290629 533446407 /nfs/dbraw/zinc/44/64/07/533446407.db2.gz STVOVAJAPCAEJH-LBPRGKRZSA-N 0 0 348.428 2.225 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000057363971 132200182 /nfs/dbraw/zinc/20/01/82/132200182.db2.gz ZXKVZWKPQWNGDK-YJBOKZPZSA-N 0 0 331.460 2.209 40 0 EEABRN CCN1c2ncccc2C(=O)NC12CCN(C(=O)C(C)(C)C)CC2 ZINC000036734988 132392978 /nfs/dbraw/zinc/39/29/78/132392978.db2.gz MAHHFGZAEBRGJP-UHFFFAOYSA-N 0 0 330.432 2.016 40 0 EEABRN Cc1ccc(S(=O)(=O)CCC(=O)Nc2c3c(nn2C)CCC3)cc1 ZINC000038510619 292170470 /nfs/dbraw/zinc/17/04/70/292170470.db2.gz WVZSPXSVCUZJAG-UHFFFAOYSA-N 0 0 347.440 2.020 40 0 EEABRN CCOc1ccc([C@@H]2[C@@H](C(C)=O)[C@](C)(O)CC(=O)[C@@H]2C(C)=O)cc1 ZINC000020065427 286568716 /nfs/dbraw/zinc/56/87/16/286568716.db2.gz FIGGGDJENHANHJ-INDMIFKZSA-N 0 0 332.396 2.303 40 0 EEABRN O=C(CCn1cncn1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066687005 159002789 /nfs/dbraw/zinc/00/27/89/159002789.db2.gz PDXVJCZELNUFEK-AWEZNQCLSA-N 0 0 338.770 2.061 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1C ZINC000248011495 160336044 /nfs/dbraw/zinc/33/60/44/160336044.db2.gz JFKBXHOYUVIMAB-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000166137632 226149232 /nfs/dbraw/zinc/14/92/32/226149232.db2.gz PGUNSHRGGSNLHE-AWEZNQCLSA-N 0 0 347.440 2.038 40 0 EEABRN Nc1ccc(N2CCOCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000226252592 262506756 /nfs/dbraw/zinc/50/67/56/262506756.db2.gz LPQLCCVKCXNHBD-UHFFFAOYSA-N 0 0 338.622 2.414 40 0 EEABRN Cc1n[nH]cc1CNC(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000274348396 269026504 /nfs/dbraw/zinc/02/65/04/269026504.db2.gz FROBUTBLZJIBOA-UHFFFAOYSA-N 0 0 335.358 2.028 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261467 276187164 /nfs/dbraw/zinc/18/71/64/276187164.db2.gz MXOZRQOFYTUUBW-JTDSTZFVSA-N 0 0 339.443 2.041 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ocnc1C)C2 ZINC000257312955 278075646 /nfs/dbraw/zinc/07/56/46/278075646.db2.gz UQKBDGZUYMGLHS-JTOWHCCKSA-N 0 0 331.416 2.377 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CN(C(=O)c1cscn1)CC2 ZINC000096253828 279089502 /nfs/dbraw/zinc/08/95/02/279089502.db2.gz YZWWHFQTSMFZNG-UHFFFAOYSA-N 0 0 329.429 2.040 40 0 EEABRN CC[C@H]1N(S(=O)(=O)c2ccccc2C)CCC[C@]12CCC(=O)N2 ZINC000096070417 288354627 /nfs/dbraw/zinc/35/46/27/288354627.db2.gz OUHYJPUYKKNRJN-WBVHZDCISA-N 0 0 336.457 2.207 40 0 EEABRN CC(C)n1cnc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000293838980 293307688 /nfs/dbraw/zinc/30/76/88/293307688.db2.gz CEBNROKMMBLMQO-KRWDZBQOSA-N 0 0 340.427 2.037 40 0 EEABRN Cc1nnc(NC(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)s1 ZINC000041548896 293855121 /nfs/dbraw/zinc/85/51/21/293855121.db2.gz RCTXUDCSVLLTQN-ZDUSSCGKSA-N 0 0 338.776 2.228 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048368 294047424 /nfs/dbraw/zinc/04/74/24/294047424.db2.gz HVKVKPNGPNFNIY-KSSFIOAISA-N 0 0 342.399 2.254 40 0 EEABRN O=S1(=O)C[C@H]2[C@@H](C1)NC(=S)N2c1ccc(-c2ccccc2)cc1 ZINC000040166953 304796534 /nfs/dbraw/zinc/79/65/34/304796534.db2.gz XKWDNDYXGGAFIJ-CVEARBPZSA-N 0 0 344.461 2.214 40 0 EEABRN O=S(=O)(c1ccccn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000329064464 311645309 /nfs/dbraw/zinc/64/53/09/311645309.db2.gz KNSSVJKUGMLEEX-ZACQAIPSSA-N 0 0 344.436 2.275 40 0 EEABRN Cc1cnn(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000332752001 312052624 /nfs/dbraw/zinc/05/26/24/312052624.db2.gz FKEMOSBAOKRGQS-DOTOQJQBSA-N 0 0 332.835 2.407 40 0 EEABRN COc1cc(C(=O)NCc2ccnc(N3CCCCCC3)c2)on1 ZINC000097373101 323322485 /nfs/dbraw/zinc/32/24/85/323322485.db2.gz SHRZJRPUJBCGKX-UHFFFAOYSA-N 0 0 330.388 2.389 40 0 EEABRN O=S(=O)(c1c(F)cccc1Cl)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000097380088 323322981 /nfs/dbraw/zinc/32/29/81/323322981.db2.gz HUBIPYZVMISRMM-JTQLQIEISA-N 0 0 347.717 2.167 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000097379363 323322987 /nfs/dbraw/zinc/32/29/87/323322987.db2.gz VPOIKORRRVHQOC-KRWDZBQOSA-N 0 0 339.395 2.124 40 0 EEABRN CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1ccon1 ZINC000195181809 323508177 /nfs/dbraw/zinc/50/81/77/323508177.db2.gz OCKMVTCEPGXUCO-UHFFFAOYSA-N 0 0 336.348 2.066 40 0 EEABRN Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000128049525 462605003 /nfs/dbraw/zinc/60/50/03/462605003.db2.gz ZUFRBFDTKOEFPD-UHFFFAOYSA-N 0 0 332.425 2.395 40 0 EEABRN CN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000128052692 462605091 /nfs/dbraw/zinc/60/50/91/462605091.db2.gz PDFQJQIOYCTDQT-UHFFFAOYSA-N 0 0 332.425 2.111 40 0 EEABRN Cc1c(NCn2nnc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000005530741 462662017 /nfs/dbraw/zinc/66/20/17/462662017.db2.gz VCDMADYNDKRLSL-UHFFFAOYSA-N 0 0 334.383 2.299 40 0 EEABRN CCOC(OCC)n1ncnc1NC(=S)NCc1ccccc1 ZINC000005575695 462662470 /nfs/dbraw/zinc/66/24/70/462662470.db2.gz PDJWXDTUPQJHIE-UHFFFAOYSA-N 0 0 335.433 2.294 40 0 EEABRN CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000006051081 462675822 /nfs/dbraw/zinc/67/58/22/462675822.db2.gz PNCXEYSSYYIUBN-CYBMUJFWSA-N 0 0 334.441 2.423 40 0 EEABRN COc1ccc(CC(=O)NC[C@@H](O)c2sccc2C)cc1OC ZINC000075155244 462686734 /nfs/dbraw/zinc/68/67/34/462686734.db2.gz YZORBLVKNMZISX-CYBMUJFWSA-N 0 0 335.425 2.466 40 0 EEABRN Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 ZINC000006451722 462686962 /nfs/dbraw/zinc/68/69/62/462686962.db2.gz LAVIUASXOITQKM-LBPRGKRZSA-N 0 0 336.388 2.440 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)c1cnsn1)c1ccccn1 ZINC000089848272 462727342 /nfs/dbraw/zinc/72/73/42/462727342.db2.gz YZCGTKWLQYLMGY-OAHLLOKOSA-N 0 0 326.381 2.461 40 0 EEABRN Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000075552476 462729702 /nfs/dbraw/zinc/72/97/02/462729702.db2.gz IYBHOICJHUWIEC-AWEZNQCLSA-N 0 0 336.399 2.225 40 0 EEABRN COc1ccccc1OCCNC(=O)[C@H]1COc2ccccc2O1 ZINC000007842561 462753817 /nfs/dbraw/zinc/75/38/17/462753817.db2.gz RFXVFIBEXZROCZ-QGZVFWFLSA-N 0 0 329.352 2.030 40 0 EEABRN O=C(c1ccccc1)[C@@H](c1ccccc1)S(=O)(=O)N1CCOCC1 ZINC000008628014 462791071 /nfs/dbraw/zinc/79/10/71/462791071.db2.gz GULPUNJNDDLYGW-GOSISDBHSA-N 0 0 345.420 2.273 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)sc1C ZINC000091047226 462826581 /nfs/dbraw/zinc/82/65/81/462826581.db2.gz UDNNXRKYSCBMTN-ZDUSSCGKSA-N 0 0 337.470 2.317 40 0 EEABRN CN1C(=O)C(Br)(Br)C[C@H]1c1cccnc1 ZINC000013220462 462888508 /nfs/dbraw/zinc/88/85/08/462888508.db2.gz AUVVLHBHNHNTLK-QMMMGPOBSA-N 0 0 334.011 2.471 40 0 EEABRN COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(C)n2)c1 ZINC000014152484 462914560 /nfs/dbraw/zinc/91/45/60/462914560.db2.gz QVSNRSPUGSGDQQ-UHFFFAOYSA-N 0 0 340.792 2.284 40 0 EEABRN COCCCNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000048601032 462923335 /nfs/dbraw/zinc/92/33/35/462923335.db2.gz WDANPBJDSCDREW-UHFFFAOYSA-N 0 0 342.395 2.357 40 0 EEABRN COC(=O)c1c[nH]c(=O)c(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1 ZINC000155721621 462934580 /nfs/dbraw/zinc/93/45/80/462934580.db2.gz BAFUQOWVDUYMGM-MNOVXSKESA-N 0 0 332.381 2.274 40 0 EEABRN COc1cc(CNC(=O)N2CCC(c3ccnn3C)CC2)ccc1O ZINC000155956688 462963862 /nfs/dbraw/zinc/96/38/62/462963862.db2.gz XEXWHZXETAIOMD-UHFFFAOYSA-N 0 0 344.415 2.224 40 0 EEABRN CS(=O)(=O)Cc1ccc(NC(=O)N2CCCSCC2)cc1F ZINC000134137750 463008391 /nfs/dbraw/zinc/00/83/91/463008391.db2.gz HBTWEMLWPCMICS-UHFFFAOYSA-N 0 0 346.449 2.341 40 0 EEABRN Cc1nnc(CN(C)CCOc2ccc3c(C)cc(=O)oc3c2)n1C ZINC000077655446 463017846 /nfs/dbraw/zinc/01/78/46/463017846.db2.gz OPMFZYUPUXPNQE-UHFFFAOYSA-N 0 0 342.399 2.049 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC1CC(c2ccccc2)C1 ZINC000077661946 463018783 /nfs/dbraw/zinc/01/87/83/463018783.db2.gz KFRAZFJFHMKXMP-KCNJBTMXSA-N 0 0 336.457 2.150 40 0 EEABRN CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O ZINC000019696517 463021224 /nfs/dbraw/zinc/02/12/24/463021224.db2.gz OMZPSNFNRFEGRH-LJQANCHMSA-N 0 0 341.411 2.401 40 0 EEABRN Cc1ccc([C@H](c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1 ZINC000020141983 463024157 /nfs/dbraw/zinc/02/41/57/463024157.db2.gz LLPFGJZXGOTFAS-GOSISDBHSA-N 0 0 342.491 2.364 40 0 EEABRN CCn1c(=O)n(CCC(C)C)c(=O)c2c3c(cnc21)C(=O)CCC3 ZINC000022610537 463053393 /nfs/dbraw/zinc/05/33/93/463053393.db2.gz WIWGYVCIRBWUHY-UHFFFAOYSA-N 0 0 329.400 2.143 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)ccc1OC ZINC000052411014 463077352 /nfs/dbraw/zinc/07/73/52/463077352.db2.gz LUTKQUMBXNSMLL-LBPRGKRZSA-N 0 0 326.805 2.314 40 0 EEABRN O=C(NCCn1cccc1)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000095447370 463087464 /nfs/dbraw/zinc/08/74/64/463087464.db2.gz LZYHVZRQJDLJGV-AWEZNQCLSA-N 0 0 325.771 2.313 40 0 EEABRN COCc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@]3(COC)C2)cc1 ZINC000096039279 463144021 /nfs/dbraw/zinc/14/40/21/463144021.db2.gz WXWZAPNWCMEEHG-AZUAARDMSA-N 0 0 347.455 2.420 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1cc(C)on1)C[C@H]2COCC1CC1 ZINC000096045245 463149458 /nfs/dbraw/zinc/14/94/58/463149458.db2.gz FTLHZEJJSCEBDL-AWEZNQCLSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)o1 ZINC000096052376 463155773 /nfs/dbraw/zinc/15/57/73/463155773.db2.gz CKRGTMIHRJJVJU-QZTJIDSGSA-N 0 0 331.416 2.235 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1ccco1)C2 ZINC000096060756 463161272 /nfs/dbraw/zinc/16/12/72/463161272.db2.gz DFTKPQBCVKIVKR-CQSZACIVSA-N 0 0 339.399 2.119 40 0 EEABRN CCOC[C@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cc(C)on1 ZINC000096068231 463166079 /nfs/dbraw/zinc/16/60/79/463166079.db2.gz ZXLHBWUISVZRMC-INIZCTEOSA-N 0 0 344.415 2.366 40 0 EEABRN COC[C@H]1CN(C(=O)CCc2cccc(OC)c2)Cc2c1cnn2C ZINC000096068259 463166100 /nfs/dbraw/zinc/16/61/00/463166100.db2.gz LETOEBVYLRALCK-OAHLLOKOSA-N 0 0 343.427 2.134 40 0 EEABRN CN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096069596 463166240 /nfs/dbraw/zinc/16/62/40/463166240.db2.gz XONWPYHGWKCYBN-HNNXBMFYSA-N 0 0 338.411 2.030 40 0 EEABRN c1cncc(CO[C@@H]2CO[C@@]3(C2)CCCN(c2cnccn2)C3)c1 ZINC000096073599 463166956 /nfs/dbraw/zinc/16/69/56/463166956.db2.gz TYABHGGHMAJQOI-FUHWJXTLSA-N 0 0 326.400 2.216 40 0 EEABRN Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(c1nncs1)CCO2 ZINC000096074925 463168332 /nfs/dbraw/zinc/16/83/32/463168332.db2.gz PUGSQGBYQOBJFS-MRXNPFEDSA-N 0 0 349.460 2.014 40 0 EEABRN O=C(Nc1ccc2c(c1)C1(CN2CCF)CCOCC1)[C@H]1CCOC1 ZINC000096090525 463170042 /nfs/dbraw/zinc/17/00/42/463170042.db2.gz VZHYFAZRAQBTAZ-AWEZNQCLSA-N 0 0 348.418 2.499 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096081081 463170378 /nfs/dbraw/zinc/17/03/78/463170378.db2.gz RJACQMXKRSAFEU-BETUJISGSA-N 0 0 342.424 2.379 40 0 EEABRN CCS(=O)(=O)N1CCc2nc(-c3ccc(F)cc3)nc(C)c2CC1 ZINC000096083886 463171001 /nfs/dbraw/zinc/17/10/01/463171001.db2.gz GJPZPWDGMYYBGZ-UHFFFAOYSA-N 0 0 349.431 2.341 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCCCC2)n1 ZINC000096101213 463173434 /nfs/dbraw/zinc/17/34/34/463173434.db2.gz ZSFJIBDSDMTRQX-CQSZACIVSA-N 0 0 332.448 2.499 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnccn3)CC[C@@H]2OC)cc1 ZINC000096110563 463178109 /nfs/dbraw/zinc/17/81/09/463178109.db2.gz OCHMGMIHCBTTAS-YJBOKZPZSA-N 0 0 341.411 2.205 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096110891 463179956 /nfs/dbraw/zinc/17/99/56/463179956.db2.gz DHHUSXGMMASWKT-YJBOKZPZSA-N 0 0 328.368 2.056 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096111005 463179973 /nfs/dbraw/zinc/17/99/73/463179973.db2.gz KAQGWMXKKBTSFK-QAPCUYQASA-N 0 0 344.436 2.240 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cn1 ZINC000096186429 463197191 /nfs/dbraw/zinc/19/71/91/463197191.db2.gz LDHZTYRGWCALDP-IRXDYDNUSA-N 0 0 336.395 2.195 40 0 EEABRN Cc1cnc(N2CC[C@@H]3O[C@H](COCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096186099 463197461 /nfs/dbraw/zinc/19/74/61/463197461.db2.gz QQZVLBDBNNTJNG-BZSNNMDCSA-N 0 0 347.459 2.355 40 0 EEABRN COc1ccc(-n2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2=O)cc1 ZINC000096192094 463201807 /nfs/dbraw/zinc/20/18/07/463201807.db2.gz MRILIRWUAJZLKV-ZIAGYGMSSA-N 0 0 342.395 2.096 40 0 EEABRN O=C(c1cccs1)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199478 463204856 /nfs/dbraw/zinc/20/48/56/463204856.db2.gz MANBWQYXWZKZFX-CQSZACIVSA-N 0 0 341.436 2.422 40 0 EEABRN O=C(c1ccsc1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199929 463206181 /nfs/dbraw/zinc/20/61/81/463206181.db2.gz USLSQSISXANJPY-HNNXBMFYSA-N 0 0 341.436 2.422 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219119 463216649 /nfs/dbraw/zinc/21/66/49/463216649.db2.gz WZPFTCBPGYXEIY-KSSFIOAISA-N 0 0 327.384 2.469 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096237719 463223662 /nfs/dbraw/zinc/22/36/62/463223662.db2.gz GTCSGFLWHBSJKL-OAQYLSRUSA-N 0 0 349.434 2.250 40 0 EEABRN CCN(C(=O)N1CCCN(C(=O)c2cccc(N)c2)CC1)C(C)C ZINC000158321235 463226168 /nfs/dbraw/zinc/22/61/68/463226168.db2.gz SKXYUSCWIHISBB-UHFFFAOYSA-N 0 0 332.448 2.267 40 0 EEABRN COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)NC(C)C)C3)cc1 ZINC000096269318 463233221 /nfs/dbraw/zinc/23/32/21/463233221.db2.gz WQYOPBULHRWVTH-HNNXBMFYSA-N 0 0 344.415 2.165 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000096366109 463236079 /nfs/dbraw/zinc/23/60/79/463236079.db2.gz JSOZRLNUVKRLFM-UHFFFAOYSA-N 0 0 335.347 2.355 40 0 EEABRN O=C(CN1CCCN(C(=O)C2CCCCCC2)CC1)N1CCCC1 ZINC000096402822 463238480 /nfs/dbraw/zinc/23/84/80/463238480.db2.gz ACWPYLSIWGFBSR-UHFFFAOYSA-N 0 0 335.492 2.114 40 0 EEABRN CCOc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ccn1 ZINC000096409817 463242658 /nfs/dbraw/zinc/24/26/58/463242658.db2.gz DHEVSLQCHBOPNP-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN CC(C)(C)[S@@](=O)CCNC(=O)NCCOc1ccc(F)c(F)c1 ZINC000096408890 463242859 /nfs/dbraw/zinc/24/28/59/463242859.db2.gz SBCLMYRWCBHEQW-HSZRJFAPSA-N 0 0 348.415 2.190 40 0 EEABRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000096411300 463243546 /nfs/dbraw/zinc/24/35/46/463243546.db2.gz IPTYFOSSZMVEMJ-DOTOQJQBSA-N 0 0 332.444 2.374 40 0 EEABRN CCCC(O)(CCC)CNC(=O)C(=O)Nc1cccc(F)c1F ZINC000096416116 463247971 /nfs/dbraw/zinc/24/79/71/463247971.db2.gz GCXPRHCOUWJQJI-UHFFFAOYSA-N 0 0 328.359 2.351 40 0 EEABRN O=C(CN1CCCNC1=O)NCC1(c2cccs2)CCCCC1 ZINC000096417118 463249387 /nfs/dbraw/zinc/24/93/87/463249387.db2.gz HSKFUWROSODDBL-UHFFFAOYSA-N 0 0 335.473 2.482 40 0 EEABRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccccn1 ZINC000096419235 463250638 /nfs/dbraw/zinc/25/06/38/463250638.db2.gz RFURDDICPDHNRX-UHFFFAOYSA-N 0 0 326.324 2.259 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)NCCc2cccs2)c1 ZINC000096419947 463251307 /nfs/dbraw/zinc/25/13/07/463251307.db2.gz ACXURJHOICFCJO-UHFFFAOYSA-N 0 0 331.441 2.192 40 0 EEABRN C[C@@H](CC(=O)c1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000096426321 463256042 /nfs/dbraw/zinc/25/60/42/463256042.db2.gz PQULPCSCGPZLJW-SWLSCSKDSA-N 0 0 334.391 2.291 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N[C@@H](C)COc2ccccc2F)cn1 ZINC000096427787 463256983 /nfs/dbraw/zinc/25/69/83/463256983.db2.gz GNXMZLZGRAWYKH-LBPRGKRZSA-N 0 0 341.408 2.349 40 0 EEABRN CC[C@H](COC)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000096428142 463257766 /nfs/dbraw/zinc/25/77/66/463257766.db2.gz LCNXQUWDCLDLOP-SSDOTTSWSA-N 0 0 327.233 2.279 40 0 EEABRN C[C@H](NC(=O)COC[C@H]1CCCO1)c1cccc(-n2ccnc2)c1 ZINC000096432096 463261299 /nfs/dbraw/zinc/26/12/99/463261299.db2.gz YONALOFQUAJLIP-WMLDXEAASA-N 0 0 329.400 2.245 40 0 EEABRN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000096432200 463261438 /nfs/dbraw/zinc/26/14/38/463261438.db2.gz WUYJPHQVDNWEED-QMMMGPOBSA-N 0 0 345.833 2.210 40 0 EEABRN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)[C@@H](c2ccccc2)CO1 ZINC000096433339 463262088 /nfs/dbraw/zinc/26/20/88/463262088.db2.gz QDGVFKIVSFSSAI-BXUZGUMPSA-N 0 0 330.409 2.449 40 0 EEABRN NC(=O)[C@@H](NC[C@@H]1CCCCO1)c1ccc(Br)cc1F ZINC000096437018 463264945 /nfs/dbraw/zinc/26/49/45/463264945.db2.gz AREBWVUPESMHMB-GWCFXTLKSA-N 0 0 345.212 2.273 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n1 ZINC000096439313 463265682 /nfs/dbraw/zinc/26/56/82/463265682.db2.gz DSVOOCCGDUQGOQ-KPZWWZAWSA-N 0 0 348.447 2.305 40 0 EEABRN CSC(C)(C)CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000096439260 463266193 /nfs/dbraw/zinc/26/61/93/463266193.db2.gz GELGOEPATMDWAX-SNVBAGLBSA-N 0 0 327.416 2.311 40 0 EEABRN CC(C)(C(=O)N1CCN(CCCc2cn[nH]c2)CC1)c1ccccc1 ZINC000096441388 463267082 /nfs/dbraw/zinc/26/70/82/463267082.db2.gz YNGSWDUCEQCEHD-UHFFFAOYSA-N 0 0 340.471 2.464 40 0 EEABRN C[C@](NC(=O)c1cccnc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454532 463273841 /nfs/dbraw/zinc/27/38/41/463273841.db2.gz VWCASBRYLNMXFE-OAHLLOKOSA-N 0 0 337.301 2.231 40 0 EEABRN CNC(=O)Cc1noc(C[S@](=O)c2cc(C(C)(C)C)ccc2C)n1 ZINC000096455431 463275291 /nfs/dbraw/zinc/27/52/91/463275291.db2.gz NNEWFKOYCZBXER-XMMPIXPASA-N 0 0 349.456 2.272 40 0 EEABRN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)N1CCC[C@@H](O)C1 ZINC000096459765 463276737 /nfs/dbraw/zinc/27/67/37/463276737.db2.gz HSRBPLQTVKXCMB-HZPDHXFCSA-N 0 0 348.834 2.292 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCCN2c2nccs2)c(C)o1 ZINC000096459296 463277003 /nfs/dbraw/zinc/27/70/03/463277003.db2.gz GTLXEFAOCACHSK-PBHICJAKSA-N 0 0 349.456 2.346 40 0 EEABRN COC(=O)c1ccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)s1 ZINC000096466204 463277995 /nfs/dbraw/zinc/27/79/95/463277995.db2.gz JDQHBDJLWLKIBX-AWEZNQCLSA-N 0 0 336.388 2.332 40 0 EEABRN COC(=O)C(C)(C)CNC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000096477230 463280287 /nfs/dbraw/zinc/28/02/87/463280287.db2.gz NTVIBPZQDHHFDN-UHFFFAOYSA-N 0 0 326.343 2.232 40 0 EEABRN C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nnc(C3CCC3)o2)C1=O ZINC000096480896 463281008 /nfs/dbraw/zinc/28/10/08/463281008.db2.gz LGGKNVGQABWUPE-QGZVFWFLSA-N 0 0 344.346 2.443 40 0 EEABRN CCc1sc([C@@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1C ZINC000096483851 463283038 /nfs/dbraw/zinc/28/30/38/463283038.db2.gz GQIQBOYCKHYMCB-VXGBXAGGSA-N 0 0 344.502 2.414 40 0 EEABRN O=C(Cn1c(=O)onc1-c1cccs1)Nc1ccc(Cl)cn1 ZINC000096494614 463288780 /nfs/dbraw/zinc/28/87/80/463288780.db2.gz IEAPTHQNXCEQKM-UHFFFAOYSA-N 0 0 336.760 2.252 40 0 EEABRN Cc1[nH]cc(C(=O)N2CCCSCC2)c(=O)c1Br ZINC000096500621 463290337 /nfs/dbraw/zinc/29/03/37/463290337.db2.gz UDCRQTFPVVUYAY-UHFFFAOYSA-N 0 0 331.235 2.025 40 0 EEABRN Cc1noc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000096500939 463291596 /nfs/dbraw/zinc/29/15/96/463291596.db2.gz YPZHSFXIQBHOOG-ZDUSSCGKSA-N 0 0 340.305 2.070 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(OC)cc1 ZINC000096521444 463293964 /nfs/dbraw/zinc/29/39/64/463293964.db2.gz KWEHXMKISHWCMS-NWDGAFQWSA-N 0 0 337.235 2.274 40 0 EEABRN CCc1ccccc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097102937 463324387 /nfs/dbraw/zinc/32/43/87/463324387.db2.gz HWQBEJLULIFJAJ-UHFFFAOYSA-N 0 0 329.444 2.403 40 0 EEABRN O[C@]1(c2nc(-c3ccc(N4CCCCC4)nc3)no2)CCSC1 ZINC000097103470 463325198 /nfs/dbraw/zinc/32/51/98/463325198.db2.gz CNTZYIWYUJDINL-MRXNPFEDSA-N 0 0 332.429 2.446 40 0 EEABRN C[C@@H](CN1CCOC1=O)NC(=O)c1c(F)cccc1Br ZINC000097212921 463348555 /nfs/dbraw/zinc/34/85/55/463348555.db2.gz NOQBKEJXCASGBS-QMMMGPOBSA-N 0 0 345.168 2.159 40 0 EEABRN C[C@@H](Cc1ccccc1F)NC(=O)N1CCC(c2nncn2C)CC1 ZINC000097215664 463349590 /nfs/dbraw/zinc/34/95/90/463349590.db2.gz ZBGDYUSWQRSWMG-ZDUSSCGKSA-N 0 0 345.422 2.474 40 0 EEABRN O=C(NCCOc1ccc(Cl)cc1)N1CCC(c2nnc[nH]2)CC1 ZINC000097227446 463349903 /nfs/dbraw/zinc/34/99/03/463349903.db2.gz MKPKFWJSXPYKCS-UHFFFAOYSA-N 0 0 349.822 2.426 40 0 EEABRN Nc1nn(CC(=O)c2ccccc2F)c(=S)n1Nc1ccco1 ZINC000036625671 463436757 /nfs/dbraw/zinc/43/67/57/463436757.db2.gz GLXHARORRUNHST-UHFFFAOYSA-N 0 0 333.348 2.486 40 0 EEABRN CNc1c(Br)cncc1S(=O)(=O)N1CCCCC1 ZINC000072210882 463482378 /nfs/dbraw/zinc/48/23/78/463482378.db2.gz ZTQLNTVVKGLSJZ-UHFFFAOYSA-N 0 0 334.239 2.060 40 0 EEABRN CCOc1c(Br)cc(C(=O)N2CCOCC2)cc1OC ZINC000042629195 463581013 /nfs/dbraw/zinc/58/10/13/463581013.db2.gz JBSKYLIPSSLUJM-UHFFFAOYSA-N 0 0 344.205 2.329 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108531213 463609849 /nfs/dbraw/zinc/60/98/49/463609849.db2.gz GCNUNXGLECJMPS-IRXDYDNUSA-N 0 0 343.452 2.259 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108536312 463611114 /nfs/dbraw/zinc/61/11/14/463611114.db2.gz MQOZPXCSNVWEGS-CQSZACIVSA-N 0 0 342.399 2.336 40 0 EEABRN O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000058687255 463617373 /nfs/dbraw/zinc/61/73/73/463617373.db2.gz FMUWRONVARCYAQ-JTQLQIEISA-N 0 0 331.759 2.432 40 0 EEABRN CCCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 ZINC000059826379 463645577 /nfs/dbraw/zinc/64/55/77/463645577.db2.gz BGAMGYXOQOBKMA-UHFFFAOYSA-N 0 0 345.399 2.040 40 0 EEABRN C[C@@H]1Cc2c(NC(=O)c3ccc4ccccc4n3)nn(C)c2NC1=O ZINC000044213425 463670324 /nfs/dbraw/zinc/67/03/24/463670324.db2.gz XUZNPZRYKRJCEV-SNVBAGLBSA-N 0 0 335.367 2.351 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC000044849524 463695797 /nfs/dbraw/zinc/69/57/97/463695797.db2.gz KXGYDYPEUMLQEG-UHFFFAOYSA-N 0 0 349.427 2.438 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000257291957 463764963 /nfs/dbraw/zinc/76/49/63/463764963.db2.gz QJKFIZPMZWHIIV-QGZVFWFLSA-N 0 0 329.375 2.375 40 0 EEABRN Nc1nccnc1[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000257290824 463765055 /nfs/dbraw/zinc/76/50/55/463765055.db2.gz QELYQYKFBIPTSE-CQSZACIVSA-N 0 0 346.818 2.245 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)c1 ZINC000257295364 463765974 /nfs/dbraw/zinc/76/59/74/463765974.db2.gz QYAHHLPTURUHIZ-GOSISDBHSA-N 0 0 341.411 2.097 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1F ZINC000257295243 463766422 /nfs/dbraw/zinc/76/64/22/463766422.db2.gz QXOJPRXPNCLZOV-PBHICJAKSA-N 0 0 336.407 2.276 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257297416 463767731 /nfs/dbraw/zinc/76/77/31/463767731.db2.gz RHEBUQOXFCJOKE-MRXNPFEDSA-N 0 0 341.459 2.482 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(Cc3cccnc3)CCO2)ccn1 ZINC000257303083 463768273 /nfs/dbraw/zinc/76/82/73/463768273.db2.gz SFRNAYMZLKJSGN-SFHVURJKSA-N 0 0 326.444 2.376 40 0 EEABRN Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000257310128 463771865 /nfs/dbraw/zinc/77/18/65/463771865.db2.gz UDUDHPQZGRMGEU-CYBMUJFWSA-N 0 0 335.404 2.492 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257313175 463773193 /nfs/dbraw/zinc/77/31/93/463773193.db2.gz URHJFEYGDFSXDL-CYBMUJFWSA-N 0 0 327.384 2.129 40 0 EEABRN Cc1cccc2nc(C(=O)N3CCCC[C@]4(C)NC(=O)CC[C@H]34)cn21 ZINC000257321835 463777367 /nfs/dbraw/zinc/77/73/67/463777367.db2.gz WDLONLZHGSXNND-KXBFYZLASA-N 0 0 340.427 2.306 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 ZINC000257330791 463780804 /nfs/dbraw/zinc/78/08/04/463780804.db2.gz XQAPYCDFJKNYNL-INIZCTEOSA-N 0 0 349.394 2.280 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2sccc2C)n1 ZINC000257341573 463786078 /nfs/dbraw/zinc/78/60/78/463786078.db2.gz ZKXZXIAAAIZJAF-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN C[C@@H](CNC(=O)N1C[C@@H](O)C[C@H]1CO)c1c(Cl)cccc1Cl ZINC000185330923 463802654 /nfs/dbraw/zinc/80/26/54/463802654.db2.gz QIUMWZLHLBTLLY-DCAQKATOSA-N 0 0 347.242 2.234 40 0 EEABRN CCc1cc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)[nH]n1 ZINC000186428888 463998227 /nfs/dbraw/zinc/99/82/27/463998227.db2.gz KVMJJNGALHZZKS-UHFFFAOYSA-N 0 0 335.354 2.374 40 0 EEABRN O=C1c2ccccc2CCN1CCN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000195128009 463999732 /nfs/dbraw/zinc/99/97/32/463999732.db2.gz YRSBBPRTXWXSQS-SFHVURJKSA-N 0 0 347.422 2.182 40 0 EEABRN C[C@@H](NC(=O)N(C)CC1(O)CCOCC1)c1cccc(F)c1F ZINC000186500624 464012549 /nfs/dbraw/zinc/01/25/49/464012549.db2.gz SKKYGZSDSUHKLJ-LLVKDONJSA-N 0 0 328.359 2.209 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000195429472 464052515 /nfs/dbraw/zinc/05/25/15/464052515.db2.gz UORZMIJRIZTLEM-GDBMZVCRSA-N 0 0 349.452 2.274 40 0 EEABRN O=C(NCCCCn1ccccc1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000195554988 464075879 /nfs/dbraw/zinc/07/58/79/464075879.db2.gz VBYBRAYGFXFVRK-MRXNPFEDSA-N 0 0 343.431 2.288 40 0 EEABRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCn1cncn1 ZINC000187043823 464093126 /nfs/dbraw/zinc/09/31/26/464093126.db2.gz LJRPWXKCWDQAKF-IUODEOHRSA-N 0 0 334.807 2.310 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccc(F)cc2)n1 ZINC000224179724 464148587 /nfs/dbraw/zinc/14/85/87/464148587.db2.gz MTSMAQRUJBGGIO-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN COc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@@H]2C)cc1OC ZINC000225328537 464155540 /nfs/dbraw/zinc/15/55/40/464155540.db2.gz ANOBDQGSWKXHCF-NSHDSACASA-N 0 0 348.424 2.426 40 0 EEABRN C[C@@H](COc1ccc(F)c(F)c1)Nc1cccc(S(N)(=O)=O)c1 ZINC000225425554 464159865 /nfs/dbraw/zinc/15/98/65/464159865.db2.gz OOZJHMWLKIMNCK-JTQLQIEISA-N 0 0 342.367 2.492 40 0 EEABRN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225475146 464163404 /nfs/dbraw/zinc/16/34/04/464163404.db2.gz PMMUIIQBRSQJAL-CRAIPNDOSA-N 0 0 339.395 2.160 40 0 EEABRN C[C@@](O)(CNc1cc(N2CCOCC2)ncn1)c1ccccc1Cl ZINC000225485836 464165553 /nfs/dbraw/zinc/16/55/53/464165553.db2.gz ZDCHOCPTTLZSGB-QGZVFWFLSA-N 0 0 348.834 2.286 40 0 EEABRN COc1cncc(O[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 ZINC000225499883 464166435 /nfs/dbraw/zinc/16/64/35/464166435.db2.gz UPVWQAKDCXGCRG-CYBMUJFWSA-N 0 0 333.413 2.159 40 0 EEABRN COc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3nc(C)[nH]c3C1)C2 ZINC000225516039 464168325 /nfs/dbraw/zinc/16/83/25/464168325.db2.gz LCFRZSLYQVQHNR-AWEZNQCLSA-N 0 0 325.412 2.417 40 0 EEABRN Cc1ccccc1-c1noc(=O)n1Cc1ncnn1-c1ccccc1 ZINC000225571208 464172062 /nfs/dbraw/zinc/17/20/62/464172062.db2.gz IDWLWFVDIZPVNI-UHFFFAOYSA-N 0 0 333.351 2.441 40 0 EEABRN Fc1ccc([C@@H](NC[C@@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376347 464266533 /nfs/dbraw/zinc/26/65/33/464266533.db2.gz ANDUSRWMLULYOX-HZPDHXFCSA-N 0 0 347.390 2.150 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 ZINC000238848442 464439026 /nfs/dbraw/zinc/43/90/26/464439026.db2.gz IWQUUXBDEYFYOP-LSDHHAIUSA-N 0 0 342.399 2.415 40 0 EEABRN CCCN1CCN(C(=O)COCc2nc(C)no2)c2cc(F)ccc21 ZINC000189975569 464575653 /nfs/dbraw/zinc/57/56/53/464575653.db2.gz BKRCRSLNPMQRMO-UHFFFAOYSA-N 0 0 348.378 2.297 40 0 EEABRN COc1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)ccc1F ZINC000190429854 464642726 /nfs/dbraw/zinc/64/27/26/464642726.db2.gz COLBMIJPVJWEDU-CYBMUJFWSA-N 0 0 337.395 2.020 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247829008 464709597 /nfs/dbraw/zinc/70/95/97/464709597.db2.gz KCTGUZIKDWCIBZ-MRXNPFEDSA-N 0 0 348.468 2.225 40 0 EEABRN O=C(c1ncccn1)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 ZINC000247860817 464710642 /nfs/dbraw/zinc/71/06/42/464710642.db2.gz MPSQSJVMVMKJKU-INIZCTEOSA-N 0 0 345.443 2.305 40 0 EEABRN O=C([C@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21)N1CCC1 ZINC000247892465 464712976 /nfs/dbraw/zinc/71/29/76/464712976.db2.gz ZAPNUXVEMSZLLQ-LJQANCHMSA-N 0 0 347.422 2.221 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000247895174 464713544 /nfs/dbraw/zinc/71/35/44/464713544.db2.gz ZTINAHJCJNSUCJ-GFCCVEGCSA-N 0 0 333.438 2.317 40 0 EEABRN c1csc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)n1 ZINC000247953920 464715956 /nfs/dbraw/zinc/71/59/56/464715956.db2.gz NFRMHHRWMMJCRK-HNNXBMFYSA-N 0 0 331.441 2.488 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCc1ccco1)CN(C1CCCC1)C2 ZINC000248026490 464723522 /nfs/dbraw/zinc/72/35/22/464723522.db2.gz JQIWRYUEZKJCMC-OAHLLOKOSA-N 0 0 328.416 2.171 40 0 EEABRN Cc1ccc(C(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)o1 ZINC000248036940 464726127 /nfs/dbraw/zinc/72/61/27/464726127.db2.gz NBQCHVDYBICTMU-HNNXBMFYSA-N 0 0 329.400 2.488 40 0 EEABRN Cc1ccc(CN2C[C@H]3C[C@@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000248077373 464727949 /nfs/dbraw/zinc/72/79/49/464727949.db2.gz HTFCMGOLWFENPO-GUDVDZBRSA-N 0 0 340.423 2.494 40 0 EEABRN Cn1cc([C@@H]2CSCCN2Cc2ncn(-c3ccccc3)n2)cn1 ZINC000191220998 464801228 /nfs/dbraw/zinc/80/12/28/464801228.db2.gz XLAOJBYGTLATPD-INIZCTEOSA-N 0 0 340.456 2.291 40 0 EEABRN CO[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000191237503 464805430 /nfs/dbraw/zinc/80/54/30/464805430.db2.gz KMVPOYSLXAMEKY-IAGOWNOFSA-N 0 0 328.416 2.298 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@@H]3COCc2ccncc2)cn1 ZINC000249692018 464904184 /nfs/dbraw/zinc/90/41/84/464904184.db2.gz MHOZHLUDYKPKQE-GOSISDBHSA-N 0 0 342.443 2.106 40 0 EEABRN COC[C@@H]1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@H](C)O1 ZINC000252015042 464953641 /nfs/dbraw/zinc/95/36/41/464953641.db2.gz YBCYLYJPQYCJNQ-IDOKYYSUSA-N 0 0 330.428 2.018 40 0 EEABRN O=C(c1cccnc1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000252496973 464968947 /nfs/dbraw/zinc/96/89/47/464968947.db2.gz PWULWWISPLJHMG-LBPRGKRZSA-N 0 0 342.380 2.407 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2oc3ccccc3c2OC)CC1 ZINC000252500947 464972663 /nfs/dbraw/zinc/97/26/63/464972663.db2.gz UABMPBGRQGAENG-UHFFFAOYSA-N 0 0 332.356 2.356 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000253394920 464999501 /nfs/dbraw/zinc/99/95/01/464999501.db2.gz CQPCKCQYPPXOKK-AMVTXUCVSA-N 0 0 331.412 2.205 40 0 EEABRN C[C@@H]1CN(C(=O)NCC2CCC(F)(F)CC2)C[C@]2(CCOC2)O1 ZINC000253397728 465000139 /nfs/dbraw/zinc/00/01/39/465000139.db2.gz SUWXFCOMCVYMKD-DOMZBBRYSA-N 0 0 332.391 2.401 40 0 EEABRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cn[nH]c1 ZINC000253426813 465011242 /nfs/dbraw/zinc/01/12/42/465011242.db2.gz XVGKKWXOKOAFCV-LLVKDONJSA-N 0 0 340.305 2.317 40 0 EEABRN O=C(Nc1cccc(Cl)c1Br)N1C[C@@H](O)C[C@H]1CO ZINC000253428242 465012587 /nfs/dbraw/zinc/01/25/87/465012587.db2.gz CHMVNUGCGZQSIY-YUMQZZPRSA-N 0 0 349.612 2.062 40 0 EEABRN Cc1cnc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 ZINC000253432602 465015166 /nfs/dbraw/zinc/01/51/66/465015166.db2.gz LOPSCEVKUFSUIA-IEBWSBKVSA-N 0 0 343.402 2.428 40 0 EEABRN Fc1cccc(Cl)c1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000298164919 465320153 /nfs/dbraw/zinc/32/01/53/465320153.db2.gz UUMCZMSSWZFTMV-UHFFFAOYSA-N 0 0 346.797 2.239 40 0 EEABRN O=C1N[C@@H](C2CCOCC2)C(=O)N1CCc1nc2c(s1)CCCC2 ZINC000330282702 465597441 /nfs/dbraw/zinc/59/74/41/465597441.db2.gz VNOPMCDWAPGPCR-HNNXBMFYSA-N 0 0 349.456 2.116 40 0 EEABRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000331538474 466129531 /nfs/dbraw/zinc/12/95/31/466129531.db2.gz MLVRVYLOQOWJBT-UKRRQHHQSA-N 0 0 340.420 2.168 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)no1 ZINC000331546489 466134151 /nfs/dbraw/zinc/13/41/51/466134151.db2.gz WGEYLHCVQMLMBN-HSMVNMDESA-N 0 0 336.413 2.356 40 0 EEABRN Cc1cc(CN2Cc3ccnn3C[C@@H](Oc3ccccn3)C2)no1 ZINC000306139431 466494427 /nfs/dbraw/zinc/49/44/27/466494427.db2.gz SWZAGEJVHYKGTA-INIZCTEOSA-N 0 0 325.372 2.038 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408585570 466681018 /nfs/dbraw/zinc/68/10/18/466681018.db2.gz ZVLXRDAMXZVCPF-UHFFFAOYSA-N 0 0 326.462 2.459 40 0 EEABRN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000408728887 466682288 /nfs/dbraw/zinc/68/22/88/466682288.db2.gz WAHHDCJUHSCDOG-FJJYHAOUSA-N 0 0 334.169 2.282 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1 ZINC000409206887 466686518 /nfs/dbraw/zinc/68/65/18/466686518.db2.gz QVLBVAAEIODKFE-ZDUSSCGKSA-N 0 0 342.461 2.011 40 0 EEABRN O=C(Nc1ccccc1F)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 ZINC000409182501 466686637 /nfs/dbraw/zinc/68/66/37/466686637.db2.gz LYWDMOMGYQWRRF-LRDDRELGSA-N 0 0 344.342 2.398 40 0 EEABRN CCCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409410976 466687834 /nfs/dbraw/zinc/68/78/34/466687834.db2.gz BPRFRPAQCNCOJZ-NSHDSACASA-N 0 0 332.853 2.411 40 0 EEABRN O=C([C@@H]1CC=CCC1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390830565 467413162 /nfs/dbraw/zinc/41/31/62/467413162.db2.gz LWVVVFWAVUWCJX-GFCCVEGCSA-N 0 0 344.440 2.373 40 0 EEABRN Cc1oncc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000575605471 468145940 /nfs/dbraw/zinc/14/59/40/468145940.db2.gz QCHSNYMOUHXDLR-UHFFFAOYSA-N 0 0 331.191 2.224 40 0 EEABRN C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585096781 468964558 /nfs/dbraw/zinc/96/45/58/468964558.db2.gz AFKMAXBKCGXDQQ-CQSZACIVSA-N 0 0 338.415 2.200 40 0 EEABRN CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000585101191 468969398 /nfs/dbraw/zinc/96/93/98/468969398.db2.gz MHRNNFCJNCDBOL-MRXNPFEDSA-N 0 0 336.461 2.121 40 0 EEABRN Cc1cccc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)n1 ZINC000585112138 468974577 /nfs/dbraw/zinc/97/45/77/468974577.db2.gz IVGPLDZNSZELJS-GOSISDBHSA-N 0 0 339.443 2.156 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111153 468975278 /nfs/dbraw/zinc/97/52/78/468975278.db2.gz GSZWOFOTEICLFV-XYPHTWIQSA-N 0 0 325.412 2.317 40 0 EEABRN O=C(CN1CCCCCC1=O)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000585124100 468983512 /nfs/dbraw/zinc/98/35/12/468983512.db2.gz WZQADMBFVJSERR-QGZVFWFLSA-N 0 0 344.390 2.157 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3)C2)c(=O)[nH]1 ZINC000585275663 468999170 /nfs/dbraw/zinc/99/91/70/468999170.db2.gz FVTPPHSZNSJZAG-IBGZPJMESA-N 0 0 342.395 2.142 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)CCn2ccnc2)C1 ZINC000585275813 469000288 /nfs/dbraw/zinc/00/02/88/469000288.db2.gz FSPFTEOGOCCKKG-IBGZPJMESA-N 0 0 343.427 2.278 40 0 EEABRN CCn1ccc(C(=O)N2CC[C@@](COc3ccc(F)cc3)(OC)C2)n1 ZINC000585277047 469001884 /nfs/dbraw/zinc/00/18/84/469001884.db2.gz LDMREWRVDNZHNL-GOSISDBHSA-N 0 0 347.390 2.352 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cc3ccncc3)C2)cc1 ZINC000585277053 469002354 /nfs/dbraw/zinc/00/23/54/469002354.db2.gz LEDPSNMRRLJARO-HXUWFJFHSA-N 0 0 340.423 2.365 40 0 EEABRN CO[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1CC(=O)N(C)C ZINC000585278599 469005104 /nfs/dbraw/zinc/00/51/04/469005104.db2.gz PFUPITQOJORQOJ-PWSUYJOCSA-N 0 0 331.338 2.030 40 0 EEABRN COc1ncccc1C(=O)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 ZINC000585280013 469006252 /nfs/dbraw/zinc/00/62/52/469006252.db2.gz VVDHJMGTCLFUIO-RHSMWYFYSA-N 0 0 344.386 2.295 40 0 EEABRN O=C(c1ncccc1O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585279527 469006504 /nfs/dbraw/zinc/00/65/04/469006504.db2.gz ZIQCNPSSJKRLGI-GJZGRUSLSA-N 0 0 330.359 2.135 40 0 EEABRN O=C(NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O)c1ccncn1 ZINC000585286430 469009332 /nfs/dbraw/zinc/00/93/32/469009332.db2.gz YEDWOYVGERFRDF-HFBAOOFYSA-N 0 0 347.802 2.078 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cncc(O)c3)[C@H]2O)cc1 ZINC000585286390 469009913 /nfs/dbraw/zinc/00/99/13/469009913.db2.gz XJFMOFRJQALLNX-FSPWUOQZSA-N 0 0 342.395 2.044 40 0 EEABRN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585290051 469012347 /nfs/dbraw/zinc/01/23/47/469012347.db2.gz ZLGFXJAUVPLFRH-GOSISDBHSA-N 0 0 325.368 2.041 40 0 EEABRN COc1ccccc1OCC(=O)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390825782 485667887 /nfs/dbraw/zinc/66/78/87/485667887.db2.gz BHCMYCBTRLBSSS-OAHLLOKOSA-N 0 0 345.399 2.478 40 0 EEABRN Cc1cc(N2CC[C@H](Sc3nnc(C4CC4)s3)C2=O)n(C)n1 ZINC000173945302 533909594 /nfs/dbraw/zinc/90/95/94/533909594.db2.gz GIIDOCSWZBKNKQ-JTQLQIEISA-N 0 0 335.458 2.355 40 0 EEABRN C[C@]1(NS(=O)(=O)c2ccc(Br)cc2F)CCOC1 ZINC000154543066 534182285 /nfs/dbraw/zinc/18/22/85/534182285.db2.gz LTXXOLAQJWAMKI-NSHDSACASA-N 0 0 338.198 2.046 40 0 EEABRN Cc1nscc1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000182069201 534519917 /nfs/dbraw/zinc/51/99/17/534519917.db2.gz XAOUMJCIFYXXJX-UHFFFAOYSA-N 0 0 333.388 2.075 40 0 EEABRN CC(C)(C)CN1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211586 534604393 /nfs/dbraw/zinc/60/43/93/534604393.db2.gz BZKWARJLSMWQIU-AWEZNQCLSA-N 0 0 328.420 2.430 40 0 EEABRN CCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CC ZINC000408699691 528574889 /nfs/dbraw/zinc/57/48/89/528574889.db2.gz YOEYCGMKWQFMHA-UHFFFAOYSA-N 0 0 326.418 2.218 40 0 EEABRN CC(C)C[C@]1(CO)CCCN1C(=O)NCc1nccn1C(F)F ZINC000190472584 528618154 /nfs/dbraw/zinc/61/81/54/528618154.db2.gz KYFORVXYSORKBW-HNNXBMFYSA-N 0 0 330.379 2.361 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@H](Cc3nccnc3NC)C2)c(C)n1 ZINC000257253607 536026518 /nfs/dbraw/zinc/02/65/18/536026518.db2.gz JZOYCMWKJUGGQB-CQSZACIVSA-N 0 0 342.447 2.138 40 0 EEABRN COC(=O)Cc1occc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000225803865 536373947 /nfs/dbraw/zinc/37/39/47/536373947.db2.gz FAOHGDMQIYLFHQ-LLVKDONJSA-N 0 0 334.397 2.471 40 0 EEABRN CN(Cc1cc2c(cc1OC(F)F)OCO2)c1nccn2cnnc12 ZINC000266427562 536460804 /nfs/dbraw/zinc/46/08/04/536460804.db2.gz CEWNRKRCDDIBAH-UHFFFAOYSA-N 0 0 349.297 2.091 40 0 EEABRN COCCOc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cn1 ZINC000225914418 536650813 /nfs/dbraw/zinc/65/08/13/536650813.db2.gz XSHUUKULSWKCMV-UHFFFAOYSA-N 0 0 338.404 2.081 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3cc(C)on3)CCN2C(C)=O)cc1 ZINC000257255245 536945093 /nfs/dbraw/zinc/94/50/93/536945093.db2.gz KGSRSJGYDJGXMB-QGZVFWFLSA-N 0 0 343.383 2.037 40 0 EEABRN COc1cccc(S(=O)(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000257202040 537135951 /nfs/dbraw/zinc/13/59/51/537135951.db2.gz AKFFXIUWBGKXAA-CQSZACIVSA-N 0 0 347.440 2.038 40 0 EEABRN O=c1c2cc3c(cc2nnn1Cc1ccccc1Cl)OCCO3 ZINC000032647404 1352383064 /nfs/dbraw/zinc/38/30/64/1352383064.db2.gz KWLJFPFTFDKPRK-UHFFFAOYSA-N 0 0 329.743 2.264 40 0 EEABRN CCCN1CCN(C(=O)CSc2nc3cc(OC)ccc3[nH]2)CC1 ZINC000020197215 212110662 /nfs/dbraw/zinc/11/06/62/212110662.db2.gz MPNYNAXYGYKRIQ-UHFFFAOYSA-N 0 0 348.472 2.218 40 0 EEABRN Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1 ZINC000097953772 219064540 /nfs/dbraw/zinc/06/45/40/219064540.db2.gz QEXRUZULIFTJQF-YESZJQIVSA-N 0 0 329.375 2.427 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000097953797 219064595 /nfs/dbraw/zinc/06/45/95/219064595.db2.gz RGXSLGKBIZYLJF-INMHGKMJSA-N 0 0 328.368 2.434 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000072242123 282264053 /nfs/dbraw/zinc/26/40/53/282264053.db2.gz KBQKDORROBMMRA-WMLDXEAASA-N 0 0 344.390 2.334 40 0 EEABRN CCc1nn(C)c(CC)c1CC(=O)N1CCCC[C@H]1c1ncon1 ZINC000187859414 529764772 /nfs/dbraw/zinc/76/47/72/529764772.db2.gz XDVVVOQJFGWMMW-HNNXBMFYSA-N 0 0 331.420 2.224 40 0 EEABRN CCN(Cc1ncc(C=O)cn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049468320 214010805 /nfs/dbraw/zinc/01/08/05/214010805.db2.gz OSKDMOUDFQNSGH-UHFFFAOYSA-N 0 0 339.804 2.153 40 0 EEABRN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C[C@H](C)O1 ZINC000067316990 215132719 /nfs/dbraw/zinc/13/27/19/215132719.db2.gz ZYFSPXWPIJRJBR-UWVGGRQHSA-N 0 0 348.371 2.324 40 0 EEABRN O=C(NCCOc1ccccc1)c1cccc(CN2CCOCC2)c1 ZINC000068509683 215314403 /nfs/dbraw/zinc/31/44/03/215314403.db2.gz NRFGPKBWIKAFMX-UHFFFAOYSA-N 0 0 340.423 2.328 40 0 EEABRN COc1cc(N2C(=O)C(=O)C3(CCCCC3)C2=O)cc(OC)c1OC ZINC000001639041 209772396 /nfs/dbraw/zinc/77/23/96/209772396.db2.gz CBNIAMSMWQGIDT-UHFFFAOYSA-N 0 0 347.367 2.105 40 0 EEABRN CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000039986769 213249268 /nfs/dbraw/zinc/24/92/68/213249268.db2.gz OGDZEUBVNZHSEY-UHFFFAOYSA-N 0 0 326.462 2.168 40 0 EEABRN COC(=O)CNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c21 ZINC000036618387 213103646 /nfs/dbraw/zinc/10/36/46/213103646.db2.gz ZFTNMGNDGPRDPA-UHFFFAOYSA-N 0 0 343.314 2.240 40 0 EEABRN Cc1cc(Br)cc(S(=O)(=O)N(C)c2cnn(C)c2)c1 ZINC000187329566 236180079 /nfs/dbraw/zinc/18/00/79/236180079.db2.gz LVYRISODMLGHOK-UHFFFAOYSA-N 0 0 344.234 2.316 40 0 EEABRN CC(C)Oc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2occc21 ZINC000071195358 215741836 /nfs/dbraw/zinc/74/18/36/215741836.db2.gz DHWONAVQGZDSEW-LBPRGKRZSA-N 0 0 337.397 2.137 40 0 EEABRN COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1 ZINC000035290132 213017894 /nfs/dbraw/zinc/01/78/94/213017894.db2.gz KYPFWWZHABEADW-UHFFFAOYSA-N 0 0 348.428 2.108 40 0 EEABRN CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2c(C)nn(C)c2C)n1 ZINC000072240376 216079946 /nfs/dbraw/zinc/07/99/46/216079946.db2.gz DSJHCCOGOVPOCR-UHFFFAOYSA-N 0 0 344.463 2.254 40 0 EEABRN c1cnc(Nc2cncc([C@H]3CCCN(c4cnccn4)C3)n2)nc1 ZINC000072360969 216167365 /nfs/dbraw/zinc/16/73/65/216167365.db2.gz FSDSNZHTKYAWQH-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN CC(C)n1nccc1C(=O)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340056 216158563 /nfs/dbraw/zinc/15/85/63/216158563.db2.gz UZERWHNSQDEQAN-UHFFFAOYSA-N 0 0 332.379 2.122 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712419 219801434 /nfs/dbraw/zinc/80/14/34/219801434.db2.gz FBPVUXWWSUCAPS-HKUYNNGSSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000072384891 216185133 /nfs/dbraw/zinc/18/51/33/216185133.db2.gz BXVMIHZVARDMKN-NSHDSACASA-N 0 0 327.310 2.379 40 0 EEABRN Cc1nc([C@H]2CCN2C(=O)c2cscn2)cc(N2CCCC2)n1 ZINC000072387588 216187104 /nfs/dbraw/zinc/18/71/04/216187104.db2.gz JBVRKNCAMBUJBT-CQSZACIVSA-N 0 0 329.429 2.429 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072393868 216193194 /nfs/dbraw/zinc/19/31/94/216193194.db2.gz VPCZNQOAIONDSP-ZDUSSCGKSA-N 0 0 339.374 2.441 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(C(=O)c3nc4cccnc4s3)C2)no1 ZINC000193930610 240366351 /nfs/dbraw/zinc/36/63/51/240366351.db2.gz ZDFCPSSAKHZHHT-NSHDSACASA-N 0 0 343.412 2.478 40 0 EEABRN COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 ZINC000408617043 238297829 /nfs/dbraw/zinc/29/78/29/238297829.db2.gz CCFQFYLIJDROEL-UHFFFAOYSA-N 0 0 348.424 2.441 40 0 EEABRN CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cc(N(C)C)ccn1 ZINC000190776645 238725917 /nfs/dbraw/zinc/72/59/17/238725917.db2.gz HAWUDAXYBSVTCJ-UHFFFAOYSA-N 0 0 330.363 2.241 40 0 EEABRN O=C([C@@H]1CCOc2ccccc21)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000096403813 296040683 /nfs/dbraw/zinc/04/06/83/296040683.db2.gz FEWHOMJJJXGYMB-SJLPKXTDSA-N 0 0 336.391 2.252 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1ccc(Cl)cc1)CC3=O ZINC000019819866 283693850 /nfs/dbraw/zinc/69/38/50/283693850.db2.gz PAVBVWWTODYJAJ-SECBINFHSA-N 0 0 340.770 2.466 40 0 EEABRN COCCS(=O)(=O)Nc1cc(Br)c(F)cc1F ZINC000191879204 239360193 /nfs/dbraw/zinc/36/01/93/239360193.db2.gz RDRDOPMOOXBBSQ-UHFFFAOYSA-N 0 0 330.150 2.115 40 0 EEABRN C[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1)Cc1cccs1 ZINC000192188458 239564477 /nfs/dbraw/zinc/56/44/77/239564477.db2.gz GXISMQSDGCPVLR-QWHCGFSZSA-N 0 0 344.502 2.003 40 0 EEABRN Cc1cc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)n[nH]1 ZINC000192289083 239629790 /nfs/dbraw/zinc/62/97/90/239629790.db2.gz QVYFCBNAYKXAHV-UHFFFAOYSA-N 0 0 343.387 2.143 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000074946855 216539842 /nfs/dbraw/zinc/53/98/42/216539842.db2.gz XFBUNRPSZNGJLY-UHFFFAOYSA-N 0 0 326.780 2.263 40 0 EEABRN Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1 ZINC000194019631 240402899 /nfs/dbraw/zinc/40/28/99/240402899.db2.gz QYPZNWHOKUYNDY-GOEBONIOSA-N 0 0 338.473 2.247 40 0 EEABRN CCOc1ccc(CCNC(=O)c2c[nH]ccc2=O)cc1OCC ZINC000022073313 212275749 /nfs/dbraw/zinc/27/57/49/212275749.db2.gz NTNCPBWVIOCZIR-UHFFFAOYSA-N 0 0 330.384 2.145 40 0 EEABRN O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000195573847 241020945 /nfs/dbraw/zinc/02/09/45/241020945.db2.gz QYKFUCXKJNQZKX-KBPBESRZSA-N 0 0 349.397 2.224 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218604564 241335562 /nfs/dbraw/zinc/33/55/62/241335562.db2.gz BGVRUTQGUXDWCA-KCQAQPDRSA-N 0 0 345.461 2.035 40 0 EEABRN CCOC(=O)[C@@H]1CCC(C)(C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000075629595 216647583 /nfs/dbraw/zinc/64/75/83/216647583.db2.gz KBTGDSPBENVRLB-AWEZNQCLSA-N 0 0 325.430 2.490 40 0 EEABRN Cc1c(C(=O)NCCc2ccccc2)cccc1N(C)S(C)(=O)=O ZINC000222425996 241515296 /nfs/dbraw/zinc/51/52/96/241515296.db2.gz KSVSBAJQMACXJE-UHFFFAOYSA-N 0 0 346.452 2.363 40 0 EEABRN CCC(CC)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000223569527 241666833 /nfs/dbraw/zinc/66/68/33/241666833.db2.gz MFPAQHSERLUFSU-UHFFFAOYSA-N 0 0 326.462 2.061 40 0 EEABRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1c(F)cccc1Cl ZINC000225535699 241918772 /nfs/dbraw/zinc/91/87/72/241918772.db2.gz SWGZGNAYROXNRD-GMTAPVOTSA-N 0 0 330.787 2.331 40 0 EEABRN CCOC(=O)c1cc(C)nn(CC(=O)Nc2ccccc2Cl)c1=O ZINC000225962227 242081089 /nfs/dbraw/zinc/08/10/89/242081089.db2.gz SAFFLQNHRMYUQQ-UHFFFAOYSA-N 0 0 349.774 2.021 40 0 EEABRN CC(C)(C)CNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000226051431 242087266 /nfs/dbraw/zinc/08/72/66/242087266.db2.gz LOTWDWVFMRVSPO-UHFFFAOYSA-N 0 0 338.473 2.222 40 0 EEABRN CCCNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000020904134 212186696 /nfs/dbraw/zinc/18/66/96/212186696.db2.gz AHXLBWVVLGVKLQ-UHFFFAOYSA-N 0 0 326.462 2.176 40 0 EEABRN C[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@@H](C2CC2)O1 ZINC000241965721 243008068 /nfs/dbraw/zinc/00/80/68/243008068.db2.gz UVCNMZXOVZXIGN-LRDDRELGSA-N 0 0 330.432 2.105 40 0 EEABRN CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c1 ZINC000253421762 243961776 /nfs/dbraw/zinc/96/17/76/243961776.db2.gz QWUVYFGTNBAPGJ-CYBMUJFWSA-N 0 0 336.363 2.200 40 0 EEABRN CC(C)Cc1nsc(N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000253429226 243974292 /nfs/dbraw/zinc/97/42/92/243974292.db2.gz QBSPNLDHENOQRH-NSHDSACASA-N 0 0 334.449 2.078 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000020455981 212132140 /nfs/dbraw/zinc/13/21/40/212132140.db2.gz PBXZQFUREHWZPQ-UHFFFAOYSA-N 0 0 335.381 2.424 40 0 EEABRN CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3cscn3)CC2)cn1 ZINC000257199961 244113997 /nfs/dbraw/zinc/11/39/97/244113997.db2.gz ABLUMECNKYQDFL-CYBMUJFWSA-N 0 0 345.472 2.484 40 0 EEABRN Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)cn1 ZINC000257200423 244117790 /nfs/dbraw/zinc/11/77/90/244117790.db2.gz ADGHQZYEBJECEJ-OAHLLOKOSA-N 0 0 326.400 2.289 40 0 EEABRN CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)Cc1cccs1 ZINC000257222158 244188150 /nfs/dbraw/zinc/18/81/50/244188150.db2.gz DSEAXDQLLPOCRS-SFHVURJKSA-N 0 0 345.468 2.176 40 0 EEABRN COc1ccc([C@@H]2CNCCN2S(=O)(=O)c2cccs2)cc1 ZINC000257225482 244197743 /nfs/dbraw/zinc/19/77/43/244197743.db2.gz FGJIOMOYWRHKEU-AWEZNQCLSA-N 0 0 338.454 2.092 40 0 EEABRN COCCN1C(=O)C[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1OC ZINC000257227134 244203347 /nfs/dbraw/zinc/20/33/47/244203347.db2.gz FNVXROVFTGODDI-QAPCUYQASA-N 0 0 348.443 2.003 40 0 EEABRN Cc1cc(CNC(=O)c2ccccc2-n2cnc(CN(C)C)c2)on1 ZINC000257227648 244203677 /nfs/dbraw/zinc/20/36/77/244203677.db2.gz FQGRCBKKOKBUJP-UHFFFAOYSA-N 0 0 339.399 2.160 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257230015 244211321 /nfs/dbraw/zinc/21/13/21/244211321.db2.gz GAKBPXQCBSJGKF-INIZCTEOSA-N 0 0 327.432 2.394 40 0 EEABRN Cc1cncc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257243576 244251272 /nfs/dbraw/zinc/25/12/72/244251272.db2.gz IHPWKYAVYAEOQP-AWEZNQCLSA-N 0 0 338.411 2.394 40 0 EEABRN CCCn1nccc1-c1ncccc1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000257250600 244268173 /nfs/dbraw/zinc/26/81/73/244268173.db2.gz JNGBRVCTTJPFHA-AWEZNQCLSA-N 0 0 348.472 2.179 40 0 EEABRN O=C(c1ccncc1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1 ZINC000257250503 244268340 /nfs/dbraw/zinc/26/83/40/244268340.db2.gz JMTZOBFAFNJWPU-UHFFFAOYSA-N 0 0 334.383 2.282 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)CCOc3ccccc3F)CCO2)n1 ZINC000257256559 244285299 /nfs/dbraw/zinc/28/52/99/244285299.db2.gz KLZUDMZTHRPZRT-HNNXBMFYSA-N 0 0 333.363 2.226 40 0 EEABRN O=C(CCCn1ccnc1)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257267769 244367184 /nfs/dbraw/zinc/36/71/84/244367184.db2.gz MIRSXSGSMIWDSJ-OAHLLOKOSA-N 0 0 338.415 2.341 40 0 EEABRN Cn1ccnc1-c1cc(C[C@@H]2CCN(Cc3cscn3)C2)ncn1 ZINC000257267508 244367899 /nfs/dbraw/zinc/36/78/99/244367899.db2.gz MHPDREPNCXVCGH-ZDUSSCGKSA-N 0 0 340.456 2.398 40 0 EEABRN CN(C)c1ccc(N2CCC(C)(C(=O)NC3CCCC3)CC2)nn1 ZINC000257268647 244370430 /nfs/dbraw/zinc/37/04/30/244370430.db2.gz MMOOWEGFBXDQOF-UHFFFAOYSA-N 0 0 331.464 2.208 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](c3ccc4sc(N)nc4n3)C2)co1 ZINC000257272549 244383602 /nfs/dbraw/zinc/38/36/02/244383602.db2.gz NCVUAKDEOMHNHE-VIFPVBQESA-N 0 0 329.385 2.200 40 0 EEABRN O=C(Cn1nnc2ccccc21)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257275042 244387841 /nfs/dbraw/zinc/38/78/41/244387841.db2.gz NNROCXBDFCSSEF-MRXNPFEDSA-N 0 0 335.411 2.308 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)CCn4ccnc4)CC3)ccn2n1 ZINC000257275852 244390546 /nfs/dbraw/zinc/39/05/46/244390546.db2.gz NRFGGODHJFLUCX-UHFFFAOYSA-N 0 0 338.415 2.031 40 0 EEABRN O=C(c1ccc(Cl)cc1)N1CCOC[C@@H](Cc2cncnc2)C1 ZINC000257318525 244512684 /nfs/dbraw/zinc/51/26/84/244512684.db2.gz VOHFBJPMLJLBTM-AWEZNQCLSA-N 0 0 331.803 2.461 40 0 EEABRN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C(=O)c3cncnc3C)C[C@H]12 ZINC000257342018 244575604 /nfs/dbraw/zinc/57/56/04/244575604.db2.gz ZMSWZDCKLHDLDX-UWWQBHOKSA-N 0 0 338.411 2.418 40 0 EEABRN CCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 ZINC000019498685 212033412 /nfs/dbraw/zinc/03/34/12/212033412.db2.gz RZCPYNMERGYUMR-GFCCVEGCSA-N 0 0 344.390 2.425 40 0 EEABRN O=C(Cn1cccnc1=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019399683 212025321 /nfs/dbraw/zinc/02/53/21/212025321.db2.gz AMIVHNLPCIBWAJ-KRWDZBQOSA-N 0 0 348.406 2.198 40 0 EEABRN CCOC(=O)CN(CC(F)(F)F)C(=O)c1nc(C)n2ccccc12 ZINC000078097932 217022199 /nfs/dbraw/zinc/02/21/99/217022199.db2.gz AUCORVFYBAXUKU-UHFFFAOYSA-N 0 0 343.305 2.210 40 0 EEABRN COC(=O)CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 ZINC000078551881 217073696 /nfs/dbraw/zinc/07/36/96/217073696.db2.gz UJUMSSFBGTXJSF-MRXNPFEDSA-N 0 0 344.411 2.132 40 0 EEABRN COC(=O)C1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1 ZINC000079029354 217177993 /nfs/dbraw/zinc/17/79/93/217177993.db2.gz SMNPLPMUBSMYAP-UHFFFAOYSA-N 0 0 345.443 2.343 40 0 EEABRN CCN(C(=O)NCCc1ccc(C)cc1C)[C@@H](C)CS(C)(=O)=O ZINC000079036301 217178985 /nfs/dbraw/zinc/17/89/85/217178985.db2.gz WPCJKWXWXSWUNM-HNNXBMFYSA-N 0 0 340.489 2.311 40 0 EEABRN O=C(CN1CCc2ccc(Br)cc21)NC1CCOCC1 ZINC000079028063 217176544 /nfs/dbraw/zinc/17/65/44/217176544.db2.gz XKIKLKZROBJXGT-UHFFFAOYSA-N 0 0 339.233 2.107 40 0 EEABRN Cc1cccc(C)c1OCC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000079052088 217182658 /nfs/dbraw/zinc/18/26/58/217182658.db2.gz YHGDDFMYFPLDET-UHFFFAOYSA-N 0 0 327.446 2.012 40 0 EEABRN O=C([O-])C[N@@H+]1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079414019 217221596 /nfs/dbraw/zinc/22/15/96/217221596.db2.gz MFZQPNCEEHSDEE-HNNXBMFYSA-N 0 0 332.400 2.194 40 0 EEABRN Cc1ccc([C@H]2CSCCN2C(=O)c2nc3nccc(C)n3n2)o1 ZINC000081345868 217385722 /nfs/dbraw/zinc/38/57/22/217385722.db2.gz YEICRGPYXFDOEY-GFCCVEGCSA-N 0 0 343.412 2.264 40 0 EEABRN CN(C)c1cccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)c1 ZINC000085556571 217676693 /nfs/dbraw/zinc/67/66/93/217676693.db2.gz QOWXHXFQLMGBAC-UHFFFAOYSA-N 0 0 335.411 2.478 40 0 EEABRN Cc1nnnn1-c1cc(NCc2noc(-c3ccoc3)n2)ccc1F ZINC000086205798 217693510 /nfs/dbraw/zinc/69/35/10/217693510.db2.gz ZVKKFJKCRQSJQP-UHFFFAOYSA-N 0 0 341.306 2.365 40 0 EEABRN CN(Cc1ccon1)C(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000265808491 247812967 /nfs/dbraw/zinc/81/29/67/247812967.db2.gz LNDKENCYHKVIBQ-CYBMUJFWSA-N 0 0 333.413 2.389 40 0 EEABRN CCCc1nnc(SCC(=O)NC2CCCCC2)n1CCOC ZINC000012471796 211390350 /nfs/dbraw/zinc/39/03/50/211390350.db2.gz MCKMYKJKGWCWGZ-UHFFFAOYSA-N 0 0 340.493 2.418 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365062 211357125 /nfs/dbraw/zinc/35/71/25/211357125.db2.gz ARCMNTCZYIBSKX-ZDUSSCGKSA-N 0 0 339.374 2.441 40 0 EEABRN COc1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)ccn1 ZINC000012291907 211334371 /nfs/dbraw/zinc/33/43/71/211334371.db2.gz WVXMVYIXHLGQBG-UHFFFAOYSA-N 0 0 341.396 2.298 40 0 EEABRN CCN(CC)C(=O)Cn1nc2c(C)cc3cc(C)ccc3n2c1=O ZINC000012181977 211312559 /nfs/dbraw/zinc/31/25/59/211312559.db2.gz CPZSZUZZUYLYPM-UHFFFAOYSA-N 0 0 326.400 2.134 40 0 EEABRN Cc1nc2ccc(C(=O)N3CCn4c(nnc4C4CC4)C3)cc2nc1C ZINC000012181733 211312366 /nfs/dbraw/zinc/31/23/66/211312366.db2.gz QLLJQQJTBQPUQE-UHFFFAOYSA-N 0 0 348.410 2.372 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012222004 211323894 /nfs/dbraw/zinc/32/38/94/211323894.db2.gz CUUIXPCPFRHEAG-WBVHZDCISA-N 0 0 331.460 2.060 40 0 EEABRN Cc1cccc(N2CCN(CCNC(=O)C3CCSCC3)CC2)c1 ZINC000095396077 218328339 /nfs/dbraw/zinc/32/83/39/218328339.db2.gz USUPHGXRWFSNDQ-UHFFFAOYSA-N 0 0 347.528 2.376 40 0 EEABRN Cc1cc(NC(=O)C2CCN(C(=O)CNc3ccccc3)CC2)no1 ZINC000095406705 218343127 /nfs/dbraw/zinc/34/31/27/218343127.db2.gz UNIXRJPCWYYRGP-UHFFFAOYSA-N 0 0 342.399 2.272 40 0 EEABRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCNC(=O)CC1 ZINC000095443633 218388399 /nfs/dbraw/zinc/38/83/99/218388399.db2.gz VDZRVENYBJZGQW-JTQLQIEISA-N 0 0 344.242 2.456 40 0 EEABRN O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccc(F)cc1 ZINC000007636968 210823479 /nfs/dbraw/zinc/82/34/79/210823479.db2.gz XYGMFRCABQJRRM-UHFFFAOYSA-N 0 0 341.338 2.461 40 0 EEABRN CCC(=O)N1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000007387775 210791888 /nfs/dbraw/zinc/79/18/88/210791888.db2.gz SAPCVFXAPFWYSF-UHFFFAOYSA-N 0 0 329.322 2.246 40 0 EEABRN O=S(=O)(c1cccc(F)c1)N1CCc2ncnc(C3CC3)c2CC1 ZINC000096083943 218583131 /nfs/dbraw/zinc/58/31/31/218583131.db2.gz FVBOHKAFDBFWGG-UHFFFAOYSA-N 0 0 347.415 2.283 40 0 EEABRN CCOc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)cc1F ZINC000096097691 218590900 /nfs/dbraw/zinc/59/09/00/218590900.db2.gz DJRZFQCNVNBKLW-CQSZACIVSA-N 0 0 349.449 2.025 40 0 EEABRN O=C(C1CC=CC1)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 ZINC000096186358 218652937 /nfs/dbraw/zinc/65/29/37/218652937.db2.gz YHDDRUXGDMEJPH-IRXDYDNUSA-N 0 0 325.412 2.140 40 0 EEABRN O=C(N1CCCC1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238711 218710781 /nfs/dbraw/zinc/71/07/81/218710781.db2.gz AOFSGOKUKBKGFH-SFHVURJKSA-N 0 0 331.391 2.470 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240866 218713930 /nfs/dbraw/zinc/71/39/30/218713930.db2.gz DBHGXBLSXPONPM-INIZCTEOSA-N 0 0 346.427 2.079 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000096411706 218766611 /nfs/dbraw/zinc/76/66/11/218766611.db2.gz OIHWBYQSQPKECZ-GOSISDBHSA-N 0 0 349.394 2.422 40 0 EEABRN CC(C)N(C(=O)Cn1cc(I)cn1)C(C)C ZINC000096413717 218770381 /nfs/dbraw/zinc/77/03/81/218770381.db2.gz JVVWQRXIQXLBOR-UHFFFAOYSA-N 0 0 335.189 2.133 40 0 EEABRN CC1(C)SC(=O)N(C[C@H](O)COc2cccc3[nH]ccc32)C1=O ZINC000268444624 251920729 /nfs/dbraw/zinc/92/07/29/251920729.db2.gz NLFQCBBMRIPGJL-JTQLQIEISA-N 0 0 334.397 2.382 40 0 EEABRN COCC(=O)N[C@H](C(=O)NCc1ccc2ccccc2c1)C(C)C ZINC000096420467 218784694 /nfs/dbraw/zinc/78/46/94/218784694.db2.gz VEVOMXTYLDHFNM-SFHVURJKSA-N 0 0 328.412 2.243 40 0 EEABRN Cc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1Cl ZINC000096420588 218784827 /nfs/dbraw/zinc/78/48/27/218784827.db2.gz QUJCDIPVMDLFAB-UHFFFAOYSA-N 0 0 341.820 2.142 40 0 EEABRN Cc1ccc(CN(C(C)C)S(=O)(=O)N2CCO[C@H](C)C2)s1 ZINC000096427794 218799526 /nfs/dbraw/zinc/79/95/26/218799526.db2.gz RWTUPUHDGCAQTD-GFCCVEGCSA-N 0 0 332.491 2.232 40 0 EEABRN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000096446556 218829694 /nfs/dbraw/zinc/82/96/94/218829694.db2.gz LGVLEYYDPZSKEV-MGPLVRAMSA-N 0 0 348.399 2.136 40 0 EEABRN Cc1ccccc1OCC(=O)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000096449841 218832463 /nfs/dbraw/zinc/83/24/63/218832463.db2.gz DLGOQESRQHJIEL-UHFFFAOYSA-N 0 0 346.818 2.166 40 0 EEABRN Fc1ccc2nc(CSc3nnnn3C[C@H]3CCCO3)oc2c1 ZINC000096465909 218845649 /nfs/dbraw/zinc/84/56/49/218845649.db2.gz XXXQTTINMDBTSL-SNVBAGLBSA-N 0 0 335.364 2.425 40 0 EEABRN CS(=O)(=O)c1ccc([C@H](O)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000096484745 218861107 /nfs/dbraw/zinc/86/11/07/218861107.db2.gz OOWPFGLERRYMSI-LLVKDONJSA-N 0 0 334.319 2.039 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccc(F)cc1 ZINC000096521390 218882058 /nfs/dbraw/zinc/88/20/58/218882058.db2.gz IWVXLMBJQJPGNM-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccc(OC)cc1 ZINC000096521439 218882402 /nfs/dbraw/zinc/88/24/02/218882402.db2.gz KWEHXMKISHWCMS-NEPJUHHUSA-N 0 0 337.235 2.274 40 0 EEABRN O=C(CCn1cnc2cnccc2c1=O)Nc1cccc(Cl)c1 ZINC000096500466 218876563 /nfs/dbraw/zinc/87/65/63/218876563.db2.gz ANGZGTJXORMPSF-UHFFFAOYSA-N 0 0 328.759 2.474 40 0 EEABRN CCOc1ccccc1-n1nnc(C(=O)NCc2cccs2)c1N ZINC000004985144 210349440 /nfs/dbraw/zinc/34/94/40/210349440.db2.gz IRCQUAFNVJCBOL-UHFFFAOYSA-N 0 0 343.412 2.240 40 0 EEABRN O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1O)[NH2+]Cc1ccco1 ZINC000004939787 210330911 /nfs/dbraw/zinc/33/09/11/210330911.db2.gz ALRVPBYRVYBAKF-GFCCVEGCSA-N 0 0 338.747 2.210 40 0 EEABRN Cn1c(=O)oc2c1cccc2C(=O)NC[C@@H]1OCCc2sccc21 ZINC000097229877 219000256 /nfs/dbraw/zinc/00/02/56/219000256.db2.gz UGATXPMYUKMFSK-ZDUSSCGKSA-N 0 0 344.392 2.237 40 0 EEABRN COc1cc(S(=O)(=O)N2CCOc3ncc(C)cc32)ccc1F ZINC000190811902 533097346 /nfs/dbraw/zinc/09/73/46/533097346.db2.gz XWRBQOKXKMFWFL-UHFFFAOYSA-N 0 0 338.360 2.125 40 0 EEABRN Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc(C)n1 ZINC000154087270 224200236 /nfs/dbraw/zinc/20/02/36/224200236.db2.gz TZTJFIJTKFKQBO-UHFFFAOYSA-N 0 0 344.366 2.290 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132484 257920587 /nfs/dbraw/zinc/92/05/87/257920587.db2.gz LKQMLFBCBCNVHL-SFHVURJKSA-N 0 0 337.427 2.388 40 0 EEABRN Cc1ccc(NC(=O)c2nnc3ccc(N4CCOCC4)cc3n2)cc1 ZINC000057312368 132199313 /nfs/dbraw/zinc/19/93/13/132199313.db2.gz PYKAPBOHQPSXLZ-UHFFFAOYSA-N 0 0 349.394 2.422 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000057363973 132200138 /nfs/dbraw/zinc/20/01/38/132200138.db2.gz ZXKVZWKPQWNGDK-MAUKXSAKSA-N 0 0 331.460 2.209 40 0 EEABRN Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@@H]32)cc1 ZINC000018046806 292280833 /nfs/dbraw/zinc/28/08/33/292280833.db2.gz MIEJUNNYFIZEEM-BBBLOLIVSA-N 0 0 332.406 2.464 40 0 EEABRN C[C@H](c1nnnn1C)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000189920102 160151852 /nfs/dbraw/zinc/15/18/52/160151852.db2.gz CAWBNCNDPJCWCB-MFKMUULPSA-N 0 0 341.337 2.363 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)C[C@H](C)O1 ZINC000253389183 296863170 /nfs/dbraw/zinc/86/31/70/296863170.db2.gz KHWZGWGBCAXIOS-OSDKZWGASA-N 0 0 348.418 2.371 40 0 EEABRN C[C@@H](c1nc(-c2ccncc2)no1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100459465 287159893 /nfs/dbraw/zinc/15/98/93/287159893.db2.gz DFWOHBVGYDXMMF-WCFLWFBJSA-N 0 0 326.356 2.368 40 0 EEABRN COc1ccc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276002 274117824 /nfs/dbraw/zinc/11/78/24/274117824.db2.gz NRYSLJWWQXANNS-GOSISDBHSA-N 0 0 341.459 2.040 40 0 EEABRN c1nncn1N1Cn2c3ccccc3nc2N(CCc2ccccc2)C1 ZINC000013637769 275078281 /nfs/dbraw/zinc/07/82/81/275078281.db2.gz XLPCZRKMGQEEBK-UHFFFAOYSA-N 0 0 345.410 2.244 40 0 EEABRN CC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000077292179 275498527 /nfs/dbraw/zinc/49/85/27/275498527.db2.gz VHOMSUGRAWOOOF-BVMALAMASA-N 0 0 346.423 2.122 40 0 in-vitro EEABRN CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccc(N)cc3)[C@H]2C1 ZINC000096268357 275777220 /nfs/dbraw/zinc/77/72/20/275777220.db2.gz PNNXNVGUNUUUNJ-FHWLQOOXSA-N 0 0 335.407 2.315 40 0 EEABRN CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000035385024 276186340 /nfs/dbraw/zinc/18/63/40/276186340.db2.gz IJKCBAOIEJHMCO-XUWVNRHRSA-N 0 0 338.407 2.165 40 0 EEABRN CCO[C@H]1C[C@](O)(CNc2ccc3nnc(C(F)F)n3n2)C1(C)C ZINC000225592712 276367583 /nfs/dbraw/zinc/36/75/83/276367583.db2.gz SCYWCBKHIXNNAS-VFZGTOFNSA-N 0 0 341.362 2.040 40 0 EEABRN c1cnc(N2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)nc1 ZINC000096073595 280500200 /nfs/dbraw/zinc/50/02/00/280500200.db2.gz HSRPGTUBNZIRHQ-FUHWJXTLSA-N 0 0 326.400 2.216 40 0 EEABRN CCC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(OC)cc1)CN2C(C)=O ZINC000019498871 281912494 /nfs/dbraw/zinc/91/24/94/281912494.db2.gz SVNQHWJBBWJIPB-ZHALLVOQSA-N 0 0 330.428 2.411 40 0 EEABRN Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1 ZINC000096098598 293297455 /nfs/dbraw/zinc/29/74/55/293297455.db2.gz XTXLXFUMMXZLIL-UHFFFAOYSA-N 0 0 331.464 2.364 40 0 EEABRN O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000079310279 303852698 /nfs/dbraw/zinc/85/26/98/303852698.db2.gz XIMFDVDTZZMGRC-RDBSUJKOSA-N 0 0 327.833 2.137 40 0 EEABRN Cc1ccc(N2CCCN(C(=O)c3ccnc(C4CC4)c3)CC2)nn1 ZINC000329323698 311666670 /nfs/dbraw/zinc/66/66/70/311666670.db2.gz HPYFGKYSHJNOBD-UHFFFAOYSA-N 0 0 337.427 2.410 40 0 EEABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530076563 317683872 /nfs/dbraw/zinc/68/38/72/317683872.db2.gz QMZFJGUZBABFLL-QGZVFWFLSA-N 0 0 349.394 2.404 40 0 EEABRN C[C@@H]1OCC[C@@H]1C(=O)NCCNc1cccc(Br)c1 ZINC000097234001 323321472 /nfs/dbraw/zinc/32/14/72/323321472.db2.gz WIMARHWQIVAOFE-GWCFXTLKSA-N 0 0 327.222 2.402 40 0 EEABRN CCCc1nc(CN(CC)S(=O)(=O)c2ccccc2F)no1 ZINC000195571420 323515075 /nfs/dbraw/zinc/51/50/75/323515075.db2.gz KWDHGTNWXPHDDC-UHFFFAOYSA-N 0 0 327.381 2.372 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccncc2)C1 ZINC000002527368 462595800 /nfs/dbraw/zinc/59/58/00/462595800.db2.gz KOVNJSQFKBLESW-ZIAGYGMSSA-N 0 0 335.404 2.196 40 0 EEABRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000000152453 462544094 /nfs/dbraw/zinc/54/40/94/462544094.db2.gz GBCJAYPOHWRWLJ-UHFFFAOYSA-N 0 0 325.796 2.428 40 0 EEABRN O=C(N[C@@H](n1cccnc1=O)C(Cl)(Cl)Cl)c1ccco1 ZINC000000160719 462544515 /nfs/dbraw/zinc/54/45/15/462544515.db2.gz RDAQINHTPSPHSL-VIFPVBQESA-N 0 0 336.562 2.135 40 0 EEABRN Cc1c(Cl)cccc1Nc1ncccc1C(=O)OC[C@@H](O)CO ZINC000001576406 462583946 /nfs/dbraw/zinc/58/39/46/462583946.db2.gz SWYJYGCPTGKBDS-NSHDSACASA-N 0 0 336.775 2.297 40 0 in-man EEABRN CCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113965680 462618452 /nfs/dbraw/zinc/61/84/52/462618452.db2.gz VIYSSGVFGYPSLS-UHFFFAOYSA-N 0 0 334.388 2.037 40 0 EEABRN CC(C)(C)OC(=O)c1ccn(Cn2cc(Br)cn2)n1 ZINC000062701430 462623494 /nfs/dbraw/zinc/62/34/94/462623494.db2.gz ODJZHFRKDRIBJF-UHFFFAOYSA-N 0 0 327.182 2.303 40 0 EEABRN CCn1c(SCC(=O)NCCCOC)nnc1-c1ccccc1 ZINC000005311739 462655094 /nfs/dbraw/zinc/65/50/94/462655094.db2.gz FEOKWSYYSXQUFJ-UHFFFAOYSA-N 0 0 334.445 2.210 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)c(C)c1 ZINC000006189713 462679888 /nfs/dbraw/zinc/67/98/88/462679888.db2.gz BSKUDKDSTXVPDB-ZBFHGGJFSA-N 0 0 334.416 2.470 40 0 EEABRN O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075156911 462687780 /nfs/dbraw/zinc/68/77/80/462687780.db2.gz XAMVOCCBTLSBGK-NXEZZACHSA-N 0 0 339.335 2.167 40 0 EEABRN Cc1csc(C(=O)N2CC(c3nc(-c4ccc[nH]c4=O)no3)C2)c1 ZINC000075156547 462687925 /nfs/dbraw/zinc/68/79/25/462687925.db2.gz AMMNQQUCVPGJFN-UHFFFAOYSA-N 0 0 342.380 2.034 40 0 EEABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C ZINC000006680191 462696131 /nfs/dbraw/zinc/69/61/31/462696131.db2.gz RVGLMHUYOYKCFR-UHFFFAOYSA-N 0 0 343.430 2.294 40 0 EEABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000007077191 462720948 /nfs/dbraw/zinc/72/09/48/462720948.db2.gz YBCGIHVTHBEBEY-STQMWFEESA-N 0 0 342.461 2.057 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C12CCC2 ZINC000075492549 462722114 /nfs/dbraw/zinc/72/21/14/462722114.db2.gz MHDFKVDWMVDTIL-UONOGXRCSA-N 0 0 327.384 2.001 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 ZINC000047081009 462742570 /nfs/dbraw/zinc/74/25/70/462742570.db2.gz NRDJWOVRCBFQIA-UHFFFAOYSA-N 0 0 331.759 2.033 40 0 EEABRN COc1ccccc1N1C[C@H](C(=O)Oc2ccccc2C=O)CC1=O ZINC000007929005 462757997 /nfs/dbraw/zinc/75/79/97/462757997.db2.gz UVEVGHLNRVOBON-CQSZACIVSA-N 0 0 339.347 2.466 40 0 EEABRN CC(=O)c1ccccc1NC(=O)COc1cccc(S(C)(=O)=O)c1 ZINC000047364664 462772590 /nfs/dbraw/zinc/77/25/90/462772590.db2.gz FFQNPJDSODSXBU-UHFFFAOYSA-N 0 0 347.392 2.310 40 0 EEABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2nnc(C)s2)CC1=O ZINC000008474014 462784884 /nfs/dbraw/zinc/78/48/84/462784884.db2.gz CCTAAVCLATWLPC-LLVKDONJSA-N 0 0 346.412 2.237 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCc1ccccc1Cl ZINC000009994263 462811281 /nfs/dbraw/zinc/81/12/81/462811281.db2.gz HIKBWNFSGRDFJO-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN C[C@H](C(=O)N1CCCC1)S(=O)(=O)c1cccc(Br)c1 ZINC000076585600 462880726 /nfs/dbraw/zinc/88/07/26/462880726.db2.gz NWVYKRFYWZKMOE-SNVBAGLBSA-N 0 0 346.246 2.234 40 0 EEABRN CC[C@H](C(=O)N1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715114 462901075 /nfs/dbraw/zinc/90/10/75/462901075.db2.gz SJCIQGIRPMZLJV-OAHLLOKOSA-N 0 0 342.436 2.383 40 0 EEABRN O=C(C1CCC1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077159244 462945235 /nfs/dbraw/zinc/94/52/35/462945235.db2.gz MNNDLWTZURVGKY-UHFFFAOYSA-N 0 0 338.455 2.494 40 0 EEABRN CCN(CC)C(=O)C1CCN(c2nnc(Br)s2)CC1 ZINC000077213843 462953675 /nfs/dbraw/zinc/95/36/75/462953675.db2.gz SOTCTWFRPFMOMQ-UHFFFAOYSA-N 0 0 347.282 2.385 40 0 EEABRN C[C@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1nnc2ccccn21 ZINC000077529535 463000740 /nfs/dbraw/zinc/00/07/40/463000740.db2.gz JCXRUQIPWOTPEA-MEDUHNTESA-N 0 0 345.428 2.059 40 0 EEABRN O=C(NCCNc1ccc2ccccc2n1)C(=O)Nc1ccccc1 ZINC000077821335 463056279 /nfs/dbraw/zinc/05/62/79/463056279.db2.gz ZTKBJMARBPJXSN-UHFFFAOYSA-N 0 0 334.379 2.402 40 0 EEABRN CCOc1ccc([C@@H](N)c2nc(-c3cccnc3)n[nH]2)cc1OC ZINC000095534245 463106551 /nfs/dbraw/zinc/10/65/51/463106551.db2.gz YAUNMGHMOUJVIG-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN CCOc1ccc([C@H](N)c2nc(-c3cccnc3)n[nH]2)cc1OC ZINC000095534244 463106827 /nfs/dbraw/zinc/10/68/27/463106827.db2.gz YAUNMGHMOUJVIG-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN COc1ccc(OCc2n[nH]c([C@@H](N)c3cccc(OC)c3)n2)cc1 ZINC000095533549 463107420 /nfs/dbraw/zinc/10/74/20/463107420.db2.gz BYJLYRZBVVPDKE-KRWDZBQOSA-N 0 0 340.383 2.449 40 0 EEABRN O=C(c1cccnc1)N1CCC2(C1)CCN(C(=O)N1CCCC1)CC2 ZINC000096046588 463150574 /nfs/dbraw/zinc/15/05/74/463150574.db2.gz QDXGEUYLAAMGOG-UHFFFAOYSA-N 0 0 342.443 2.226 40 0 EEABRN O=C(c1ccsc1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048375 463152287 /nfs/dbraw/zinc/15/22/87/463152287.db2.gz SJZMVELGZCFRIL-YOEHRIQHSA-N 0 0 344.440 2.414 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC000096048719 463153608 /nfs/dbraw/zinc/15/36/08/463153608.db2.gz ZXMYOILBILRXNX-GOSISDBHSA-N 0 0 340.383 2.037 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1ccoc1)C2 ZINC000096060760 463160753 /nfs/dbraw/zinc/16/07/53/463160753.db2.gz PLVFQNCJRDZPSA-OAHLLOKOSA-N 0 0 339.399 2.119 40 0 EEABRN Cc1ccc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080571 463169145 /nfs/dbraw/zinc/16/91/45/463169145.db2.gz NUEJYBTUKRXYIW-WMZOPIPTSA-N 0 0 346.452 2.234 40 0 EEABRN Cc1nc(CN2CCCn3c(CN4CCCC4)nnc3C2)cs1 ZINC000096084803 463171009 /nfs/dbraw/zinc/17/10/09/463171009.db2.gz OYGYIVNQOAGGQN-UHFFFAOYSA-N 0 0 332.477 2.045 40 0 EEABRN Cn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2 ZINC000096103998 463174203 /nfs/dbraw/zinc/17/42/03/463174203.db2.gz YXPJFVCMWZSMSY-UHFFFAOYSA-N 0 0 339.317 2.442 40 0 EEABRN CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000026938587 463177942 /nfs/dbraw/zinc/17/79/42/463177942.db2.gz JMPNQZOIQCDWQQ-AWEZNQCLSA-N 0 0 344.864 2.409 40 0 EEABRN Cc1nc(COC[C@@]23CCC[C@@H]2CN(S(C)(=O)=O)C3)cs1 ZINC000096109286 463178191 /nfs/dbraw/zinc/17/81/91/463178191.db2.gz BGAXIPQZOCJOAG-OCCSQVGLSA-N 0 0 330.475 2.030 40 0 EEABRN Cn1c(CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2F)nc2ccccc21 ZINC000096112201 463179860 /nfs/dbraw/zinc/17/98/60/463179860.db2.gz SMBZESRYYBNCOX-DOMZBBRYSA-N 0 0 329.379 2.036 40 0 biogenic,in-vitro EEABRN Cc1ccc(CNC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2C)o1 ZINC000096147567 463185738 /nfs/dbraw/zinc/18/57/38/463185738.db2.gz DCMWYLOPOHMDHB-UHFFFAOYSA-N 0 0 339.399 2.380 40 0 EEABRN Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096188577 463200673 /nfs/dbraw/zinc/20/06/73/463200673.db2.gz RNLSXVRYXABEDU-CQSZACIVSA-N 0 0 341.440 2.422 40 0 EEABRN COC[C@H]1CN(C(=O)c2c(C)noc2C)Cc2cn(CC3CC3)nc21 ZINC000096198146 463204432 /nfs/dbraw/zinc/20/44/32/463204432.db2.gz GPNBNYQFKSJGKH-OAHLLOKOSA-N 0 0 344.415 2.284 40 0 EEABRN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096199664 463204681 /nfs/dbraw/zinc/20/46/81/463204681.db2.gz RDMJJDSCCLGPKR-IRXDYDNUSA-N 0 0 342.439 2.030 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nc(C)n[nH]3)C2)s1 ZINC000096207384 463210971 /nfs/dbraw/zinc/21/09/71/463210971.db2.gz QVMNICFBAFJCER-MGPQQGTHSA-N 0 0 346.456 2.203 40 0 EEABRN Cc1csc(CN2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)n1 ZINC000096215223 463213540 /nfs/dbraw/zinc/21/35/40/463213540.db2.gz DFUXQNQUKDCFNW-PBHICJAKSA-N 0 0 330.457 2.407 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 ZINC000096218108 463215284 /nfs/dbraw/zinc/21/52/84/463215284.db2.gz DBVKRTZQZIBXBJ-WMZOPIPTSA-N 0 0 344.390 2.355 40 0 EEABRN c1ccc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)nc1 ZINC000096220368 463217960 /nfs/dbraw/zinc/21/79/60/463217960.db2.gz LEDNBABZBDOXGB-INIZCTEOSA-N 0 0 325.416 2.267 40 0 EEABRN O=C(c1ccnnc1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224492 463219667 /nfs/dbraw/zinc/21/96/67/463219667.db2.gz WVOXBWRBYOOGIN-IBGZPJMESA-N 0 0 336.395 2.136 40 0 EEABRN Cc1nocc1C(=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096224551 463221190 /nfs/dbraw/zinc/22/11/90/463221190.db2.gz SJEGLOJVGQQUMY-GOSISDBHSA-N 0 0 340.383 2.037 40 0 EEABRN O=C(NCc1cccs1)[C@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 ZINC000096227719 463221697 /nfs/dbraw/zinc/22/16/97/463221697.db2.gz DNQNYSXWFBTTOD-PBHICJAKSA-N 0 0 333.457 2.292 40 0 EEABRN CN(C)C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC000096239659 463224920 /nfs/dbraw/zinc/22/49/20/463224920.db2.gz BDECLMFSMCKCSO-OAHLLOKOSA-N 0 0 342.365 2.440 40 0 EEABRN O=C(C1CCOCC1)N1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255383 463228353 /nfs/dbraw/zinc/22/83/53/463228353.db2.gz IHDBMPZHNSYGGZ-UHFFFAOYSA-N 0 0 337.423 2.497 40 0 EEABRN Cc1nc2nnc3ccc(C(=O)N4CCOCC4)cc3c2n1C(C)C ZINC000096264338 463231433 /nfs/dbraw/zinc/23/14/33/463231433.db2.gz JQXZCNAVCYRMMT-UHFFFAOYSA-N 0 0 339.399 2.341 40 0 EEABRN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000096404026 463238390 /nfs/dbraw/zinc/23/83/90/463238390.db2.gz HRWYEEPGYZXKHF-SJORKVTESA-N 0 0 345.443 2.306 40 0 EEABRN O=C(NCCNC(=O)c1ccco1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000096405560 463239371 /nfs/dbraw/zinc/23/93/71/463239371.db2.gz WJYYUAYQVLZBQS-GJZGRUSLSA-N 0 0 327.384 2.112 40 0 EEABRN CC[C@@H]1CN(C(=O)NCc2nccn2CC(F)(F)F)C[C@@H](C)O1 ZINC000096405586 463239448 /nfs/dbraw/zinc/23/94/48/463239448.db2.gz IWVOTPQMZAMZIG-GHMZBOCLSA-N 0 0 334.342 2.154 40 0 EEABRN Cc1nc(C2(NC(=O)Nc3nnc(C(F)(F)F)s3)CCC2)no1 ZINC000096407941 463241541 /nfs/dbraw/zinc/24/15/41/463241541.db2.gz XKIZXIJEJHRPSO-UHFFFAOYSA-N 0 0 348.310 2.449 40 0 EEABRN Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)CCN2CCOCC2)c1 ZINC000096408471 463241883 /nfs/dbraw/zinc/24/18/83/463241883.db2.gz VXLAWHQTZJKQLY-QGZVFWFLSA-N 0 0 345.487 2.436 40 0 EEABRN O=S(=O)(Cc1cccc(Br)c1)C[C@H](O)C(F)(F)F ZINC000158593913 463242968 /nfs/dbraw/zinc/24/29/68/463242968.db2.gz BBQJTAGHGRJJFC-VIFPVBQESA-N 0 0 347.152 2.287 40 0 EEABRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000096412274 463244781 /nfs/dbraw/zinc/24/47/81/463244781.db2.gz JOSWALZKUSJYSQ-HNNXBMFYSA-N 0 0 341.367 2.225 40 0 EEABRN O=C(/C=C/c1cccnc1)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414560 463247029 /nfs/dbraw/zinc/24/70/29/463247029.db2.gz RUNBVELYLUIQML-ONEGZZNKSA-N 0 0 337.305 2.132 40 0 EEABRN CC(C)c1ccc(CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 ZINC000096417600 463249576 /nfs/dbraw/zinc/24/95/76/463249576.db2.gz SOUKMFLNCWHTIX-CQSZACIVSA-N 0 0 338.473 2.181 40 0 EEABRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CC=CCC1 ZINC000096418310 463250139 /nfs/dbraw/zinc/25/01/39/463250139.db2.gz VTJYOAMYEVQPAN-LBPRGKRZSA-N 0 0 329.368 2.450 40 0 EEABRN C[C@H](CNC(=O)Cc1ccc(-n2cccn2)cc1)CC1(C)OCCO1 ZINC000096418608 463250752 /nfs/dbraw/zinc/25/07/52/463250752.db2.gz RLTKTUQJJQJGIW-HNNXBMFYSA-N 0 0 343.427 2.320 40 0 EEABRN Cc1csc(CCNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)n1 ZINC000096422085 463252806 /nfs/dbraw/zinc/25/28/06/463252806.db2.gz ROJUGUBQKDXYMF-UHFFFAOYSA-N 0 0 343.330 2.166 40 0 EEABRN C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000096426160 463255777 /nfs/dbraw/zinc/25/57/77/463255777.db2.gz XBRIZIBLLWGQFR-LBPRGKRZSA-N 0 0 338.473 2.070 40 0 EEABRN C[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096431208 463260320 /nfs/dbraw/zinc/26/03/20/463260320.db2.gz ITYRXKNHRMHANG-MVIFTORASA-N 0 0 342.486 2.099 40 0 EEABRN C=CC(=O)NCCNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000096430966 463260491 /nfs/dbraw/zinc/26/04/91/463260491.db2.gz UOOKXOCRIMERKZ-QMMMGPOBSA-N 0 0 331.235 2.033 40 0 EEABRN CCc1cnc(CNC(=O)Nc2cccnc2-n2cncn2)s1 ZINC000096434405 463262247 /nfs/dbraw/zinc/26/22/47/463262247.db2.gz BSTMWTMZDCPAAA-UHFFFAOYSA-N 0 0 329.389 2.003 40 0 EEABRN Cc1ccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cn1 ZINC000096436149 463263224 /nfs/dbraw/zinc/26/32/24/463263224.db2.gz CPXFUXAHKXNGJZ-LJQANCHMSA-N 0 0 339.439 2.297 40 0 EEABRN CC[C@H](C(=O)N1CCC(Nc2cccc(C)n2)CC1)N1CCCC1=O ZINC000096436592 463265107 /nfs/dbraw/zinc/26/51/07/463265107.db2.gz KFWRLYZAVOLITK-MRXNPFEDSA-N 0 0 344.459 2.194 40 0 EEABRN C[C@H](Cc1ccsc1)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096439351 463265729 /nfs/dbraw/zinc/26/57/29/463265729.db2.gz FCRKGJQPISGTNP-CYBMUJFWSA-N 0 0 334.445 2.195 40 0 EEABRN C[S@@](=O)C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000096445444 463269543 /nfs/dbraw/zinc/26/95/43/463269543.db2.gz GHSCHIFAKWOCPC-CMJOXMDJSA-N 0 0 331.441 2.138 40 0 EEABRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCCCC3)nc2)c(=O)[nH]1 ZINC000096444608 463269855 /nfs/dbraw/zinc/26/98/55/463269855.db2.gz FABNFOAIWXJABI-UHFFFAOYSA-N 0 0 340.427 2.307 40 0 EEABRN CN(CC(=O)NC(C)(C)C)C(=O)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000096447920 463270773 /nfs/dbraw/zinc/27/07/73/463270773.db2.gz VDYFAYFDWALRFQ-UHFFFAOYSA-N 0 0 346.406 2.062 40 0 EEABRN CC(C)C[C@H]1CCCN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C1 ZINC000096468424 463278367 /nfs/dbraw/zinc/27/83/67/463278367.db2.gz JXHWYOZZDYSQFT-NVXWUHKLSA-N 0 0 335.496 2.491 40 0 EEABRN Cn1ccc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000096485892 463283884 /nfs/dbraw/zinc/28/38/84/463283884.db2.gz ITNLCWXEQWTVQA-AWEZNQCLSA-N 0 0 325.771 2.350 40 0 EEABRN O=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1cc(F)cc(F)c1 ZINC000096484979 463283927 /nfs/dbraw/zinc/28/39/27/463283927.db2.gz MBVGSTNHMJMPLX-UHFFFAOYSA-N 0 0 336.338 2.155 40 0 EEABRN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000055111459 463285405 /nfs/dbraw/zinc/28/54/05/463285405.db2.gz ACSIDUZMVNHUDA-INIZCTEOSA-N 0 0 346.452 2.377 40 0 EEABRN CNS(=O)(=O)c1ccc(NC[C@@]2(C)CCCC[C@@H]2O)c(F)c1 ZINC000096489930 463286248 /nfs/dbraw/zinc/28/62/48/463286248.db2.gz FTAWYNKMGGDAQO-LSDHHAIUSA-N 0 0 330.425 2.087 40 0 EEABRN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1=COCCC1 ZINC000096494906 463288973 /nfs/dbraw/zinc/28/89/73/463288973.db2.gz QVJOFHKAAQCBAF-AWEZNQCLSA-N 0 0 338.766 2.395 40 0 EEABRN O=C(NCC1(Cc2ccccc2)CCCC1)NC[C@]1(O)CCOC1 ZINC000096499873 463290489 /nfs/dbraw/zinc/29/04/89/463290489.db2.gz KFDADMWFYPBSQB-LJQANCHMSA-N 0 0 332.444 2.240 40 0 EEABRN Cc1cc(NC(=O)NCCn2ccnn2)n(-c2cc(C)cc(C)c2)n1 ZINC000096501009 463291941 /nfs/dbraw/zinc/29/19/41/463291941.db2.gz SLQPMJUOMJZCMM-UHFFFAOYSA-N 0 0 339.403 2.211 40 0 EEABRN Cc1ncsc1CNC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 ZINC000096503148 463292507 /nfs/dbraw/zinc/29/25/07/463292507.db2.gz GIBQZBNHMZRZLJ-AWEZNQCLSA-N 0 0 345.472 2.435 40 0 EEABRN COC(=O)[C@H](Cc1ccccc1)Nc1ccc2c(c1)oc(=O)n2C ZINC000097377880 463356604 /nfs/dbraw/zinc/35/66/04/463356604.db2.gz QNFNFUXUAKWRHQ-AWEZNQCLSA-N 0 0 326.352 2.328 40 0 EEABRN Cc1nccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000097376476 463356927 /nfs/dbraw/zinc/35/69/27/463356927.db2.gz QPVPICDSHMMKIR-DLBZAZTESA-N 0 0 337.427 2.173 40 0 EEABRN CN1C(SCc2cccc(Cl)c2)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508727 463380637 /nfs/dbraw/zinc/38/06/37/463380637.db2.gz MPSQXTNDESPRKD-VXGBXAGGSA-N 0 0 330.862 2.040 40 0 EEABRN COc1ccccc1[C@H](NC(=O)c1cccn1C)c1noc(C)n1 ZINC000070981867 463399546 /nfs/dbraw/zinc/39/95/46/463399546.db2.gz ANBWDTYMRBXDPM-HNNXBMFYSA-N 0 0 326.356 2.245 40 0 EEABRN O=C(CCOc1ccccc1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000081293986 463414105 /nfs/dbraw/zinc/41/41/05/463414105.db2.gz KFXDTKZDOVZVNZ-MRXNPFEDSA-N 0 0 330.409 2.217 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000104991345 463432547 /nfs/dbraw/zinc/43/25/47/463432547.db2.gz WXBWNTNTOGPLQU-ICSGQFSRSA-N 0 0 347.465 2.121 40 0 EEABRN C[C@H]1CCCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000040639985 463462570 /nfs/dbraw/zinc/46/25/70/463462570.db2.gz GKNQYAFKFKACME-AWEZNQCLSA-N 0 0 336.457 2.489 40 0 EEABRN O=C(Cc1cccc(-c2nn3cnnc3s2)c1)N1CCCCC1 ZINC000041126868 463467916 /nfs/dbraw/zinc/46/79/16/463467916.db2.gz XGXHOUGEXOCOPX-UHFFFAOYSA-N 0 0 327.413 2.408 40 0 EEABRN Cc1ccc(C(=O)N[C@@H](C(N)=O)c2nnc(-c3ccccc3)o2)cc1 ZINC000041154479 463470535 /nfs/dbraw/zinc/47/05/35/463470535.db2.gz JANAKQUBQPAJQL-AWEZNQCLSA-N 0 0 336.351 2.001 40 0 EEABRN O=C(Nc1ccn(CCc2ccccn2)n1)N[C@H]1CCCC[C@H]1CO ZINC000081649474 463476734 /nfs/dbraw/zinc/47/67/34/463476734.db2.gz JFRLZEUDQVBXCC-HOCLYGCPSA-N 0 0 343.431 2.193 40 0 EEABRN Cc1c(CNC(=O)CCN2c3ccccc3C(C)(C)C2=O)cnn1C ZINC000057355640 463480692 /nfs/dbraw/zinc/48/06/92/463480692.db2.gz OVNIJTIZAJXHSF-UHFFFAOYSA-N 0 0 340.427 2.059 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000081701890 463480828 /nfs/dbraw/zinc/48/08/28/463480828.db2.gz GJBOKPLDPOCCBM-MSOLQXFVSA-N 0 0 337.354 2.400 40 0 EEABRN COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072227140 463483917 /nfs/dbraw/zinc/48/39/17/463483917.db2.gz GXLCOFDTXAQTAB-IAGOWNOFSA-N 0 0 328.368 2.128 40 0 EEABRN CCCN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000057475703 463494500 /nfs/dbraw/zinc/49/45/00/463494500.db2.gz RKFVWMVTHPKAAF-NSHDSACASA-N 0 0 347.839 2.447 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3C)C2=O)o1 ZINC000107671224 463577719 /nfs/dbraw/zinc/57/77/19/463577719.db2.gz NCKSPZFQBKBDLY-ZROIWOOFSA-N 0 0 340.335 2.468 40 0 EEABRN CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107771395 463581826 /nfs/dbraw/zinc/58/18/26/463581826.db2.gz MYXDDRMWTGHBJK-HOTGVXAUSA-N 0 0 331.478 2.024 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529714 463609885 /nfs/dbraw/zinc/60/98/85/463609885.db2.gz PKGBHSLMBYWVDS-QFBILLFUSA-N 0 0 334.460 2.054 40 0 EEABRN CCOc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)cc1OCC ZINC000059886660 463646547 /nfs/dbraw/zinc/64/65/47/463646547.db2.gz XPAPFUFPLYFYQN-CYBMUJFWSA-N 0 0 334.416 2.225 40 0 EEABRN Cc1noc(C)c1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000044448783 463678899 /nfs/dbraw/zinc/67/88/99/463678899.db2.gz BVGROZCKXVQLDB-UHFFFAOYSA-N 0 0 347.390 2.154 40 0 EEABRN CC(C)C[C@@H](NC(N)=O)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044866425 463696126 /nfs/dbraw/zinc/69/61/26/463696126.db2.gz KGZCGXKOMOLWQP-GFCCVEGCSA-N 0 0 331.338 2.405 40 0 EEABRN O=C(CN1CCSC1=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000044893592 463699154 /nfs/dbraw/zinc/69/91/54/463699154.db2.gz ANQQFTVLISUUOR-GFCCVEGCSA-N 0 0 344.440 2.438 40 0 EEABRN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000044896767 463699754 /nfs/dbraw/zinc/69/97/54/463699754.db2.gz IZYUHTPLOSEXAY-UHFFFAOYSA-N 0 0 336.351 2.268 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 ZINC000257213912 463755815 /nfs/dbraw/zinc/75/58/15/463755815.db2.gz CJQOSOQJSMUXNC-CQSZACIVSA-N 0 0 342.447 2.045 40 0 EEABRN Cc1ncc(-c2cncc(C3CCN(c4ccncn4)CC3)n2)n1C ZINC000257281747 463759442 /nfs/dbraw/zinc/75/94/42/463759442.db2.gz OQUDMDADNJUXCP-UHFFFAOYSA-N 0 0 335.415 2.360 40 0 EEABRN O=c1cc(C[C@@H]2COCCN(Cc3c(F)cccc3F)C2)nc[nH]1 ZINC000257289249 463763515 /nfs/dbraw/zinc/76/35/15/463763515.db2.gz PXSSLRDSCNFTIZ-LBPRGKRZSA-N 0 0 335.354 2.152 40 0 EEABRN CCn1cc(CN2CCC[C@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257292622 463764601 /nfs/dbraw/zinc/76/46/01/463764601.db2.gz QMIATYROOYSRIB-SFHVURJKSA-N 0 0 327.432 2.271 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)C=Cc2ccccc2)cc(=O)[nH]1 ZINC000257291379 463764894 /nfs/dbraw/zinc/76/48/94/463764894.db2.gz QGSAXSJAFJJYCU-WAVCKPEOSA-N 0 0 325.368 2.104 40 0 EEABRN COc1ccc([C@H]2CN(Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306011 463770562 /nfs/dbraw/zinc/77/05/62/463770562.db2.gz SSMPSCGQNBGNHB-LJQANCHMSA-N 0 0 325.412 2.496 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257310398 463771615 /nfs/dbraw/zinc/77/16/15/463771615.db2.gz UEXJTFBZAMDGPN-CYBMUJFWSA-N 0 0 335.429 2.062 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@H]2CCCN(c3cnccn3)C2)n1C ZINC000257308227 463772488 /nfs/dbraw/zinc/77/24/88/463772488.db2.gz TVXSWIGKYIZMLK-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000194022500 463774736 /nfs/dbraw/zinc/77/47/36/463774736.db2.gz CCQRXFNJYCDKLR-LSDHHAIUSA-N 0 0 327.428 2.209 40 0 EEABRN CC(C)Cc1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)on1 ZINC000257320267 463776174 /nfs/dbraw/zinc/77/61/74/463776174.db2.gz VVZJCSZQVXTNEW-CYBMUJFWSA-N 0 0 344.415 2.487 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)c1C ZINC000257319364 463776429 /nfs/dbraw/zinc/77/64/29/463776429.db2.gz VSBKGLNSBWAYIS-AWEZNQCLSA-N 0 0 331.420 2.155 40 0 EEABRN Cc1c(CCC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257319995 463776837 /nfs/dbraw/zinc/77/68/37/463776837.db2.gz VUXOHYKHBGPRGC-QGZVFWFLSA-N 0 0 341.459 2.184 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 ZINC000257321838 463778349 /nfs/dbraw/zinc/77/83/49/463778349.db2.gz WDMGWWDGBOIXGL-LBPRGKRZSA-N 0 0 341.358 2.216 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)ccn1 ZINC000257327156 463779522 /nfs/dbraw/zinc/77/95/22/463779522.db2.gz XAFLMZICPVAAER-KRWDZBQOSA-N 0 0 326.352 2.332 40 0 EEABRN Cc1cccc(N2CCC[C@H](N(C)C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC000257332011 463780719 /nfs/dbraw/zinc/78/07/19/463780719.db2.gz XVIVUPIKLZDVOB-AWEZNQCLSA-N 0 0 326.400 2.232 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)CC3CCCC3)CCN2C)c1 ZINC000257330825 463780827 /nfs/dbraw/zinc/78/08/27/463780827.db2.gz XQFJGLSSZKAUGZ-SFHVURJKSA-N 0 0 343.471 2.442 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)CCc2cccc(F)c2)cc(=O)[nH]1 ZINC000257332851 463781050 /nfs/dbraw/zinc/78/10/50/463781050.db2.gz XYYZDOXROOSRNP-MRXNPFEDSA-N 0 0 345.374 2.162 40 0 EEABRN COCc1cccc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)c1 ZINC000257331144 463781594 /nfs/dbraw/zinc/78/15/94/463781594.db2.gz XROZEFZIVNWHDI-MRXNPFEDSA-N 0 0 341.411 2.447 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H](Cc3nccnc3NC)C2)on1 ZINC000257340842 463785400 /nfs/dbraw/zinc/78/54/00/463785400.db2.gz ZHSJIVBISHEISR-LBPRGKRZSA-N 0 0 329.404 2.164 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2sccc2C)n1 ZINC000257341574 463786571 /nfs/dbraw/zinc/78/65/71/463786571.db2.gz ZKXZXIAAAIZJAF-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN c1ccc(CO[C@H]2CN(Cc3cnccn3)C[C@@]23CCCO3)cc1 ZINC000257343681 463787222 /nfs/dbraw/zinc/78/72/22/463787222.db2.gz ZTZLSDGSOJZOJM-OALUTQOASA-N 0 0 325.412 2.427 40 0 EEABRN CSc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260905778 463793249 /nfs/dbraw/zinc/79/32/49/463793249.db2.gz SGONYXIPZJCTRE-GFCCVEGCSA-N 0 0 344.502 2.335 40 0 EEABRN COc1cccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260897687 463793270 /nfs/dbraw/zinc/79/32/70/463793270.db2.gz JZYIVJBTPMXLFT-QWHCGFSZSA-N 0 0 342.461 2.010 40 0 EEABRN Cc1cc(C(=O)NC2CCN(C(=O)c3cnc(C)cn3)CC2)c(C)o1 ZINC000171291843 463838314 /nfs/dbraw/zinc/83/83/14/463838314.db2.gz RFVVSPSCRBJUML-UHFFFAOYSA-N 0 0 342.399 2.029 40 0 EEABRN CNC(=O)CNC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000194531332 463878652 /nfs/dbraw/zinc/87/86/52/463878652.db2.gz UVJJYAFLQCJZBS-LBPRGKRZSA-N 0 0 344.440 2.283 40 0 EEABRN Cc1cccc(OC[C@H](O)CNc2cc(N3CCCC3)ncn2)c1 ZINC000277359414 463912485 /nfs/dbraw/zinc/91/24/85/463912485.db2.gz GVBXSDIRYLYXBL-OAHLLOKOSA-N 0 0 328.416 2.237 40 0 EEABRN Cn1ccc(N2CCC[C@H](Sc3nc(C4CC4)cc(=O)[nH]3)C2=O)n1 ZINC000195081176 463986786 /nfs/dbraw/zinc/98/67/86/463986786.db2.gz NUUVMHZCIOHKAC-LBPRGKRZSA-N 0 0 345.428 2.081 40 0 EEABRN C[C@@H]1CN(C(=O)NCC2CCC3(CC2)OCCO3)CC(C)(C)O1 ZINC000178930512 464018362 /nfs/dbraw/zinc/01/83/62/464018362.db2.gz DEZHHOUGHICRBK-CYBMUJFWSA-N 0 0 326.437 2.129 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000178965354 464027966 /nfs/dbraw/zinc/02/79/66/464027966.db2.gz LGYFKNUPEFGDKB-KGLIPLIRSA-N 0 0 333.461 2.392 40 0 EEABRN Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000195361275 464045203 /nfs/dbraw/zinc/04/52/03/464045203.db2.gz NWCJPTGHIRRXLX-CYBMUJFWSA-N 0 0 347.369 2.057 40 0 EEABRN O=C(NCCCCn1ccccc1=O)NC1Cc2ccccc2C1 ZINC000195564010 464077452 /nfs/dbraw/zinc/07/74/52/464077452.db2.gz BGRNEVBPLFAEGL-UHFFFAOYSA-N 0 0 325.412 2.095 40 0 EEABRN COc1ccc(CCS(=O)(=O)c2nnc3n2CCCCC3)cc1 ZINC000195579483 464080711 /nfs/dbraw/zinc/08/07/11/464080711.db2.gz ABSFJGQLQLNSMV-UHFFFAOYSA-N 0 0 335.429 2.030 40 0 EEABRN C[C@H](C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1)n1cccn1 ZINC000220763250 464119647 /nfs/dbraw/zinc/11/96/47/464119647.db2.gz BLUDSYTXOIZXKV-CHWSQXEVSA-N 0 0 329.404 2.186 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222584891 464131572 /nfs/dbraw/zinc/13/15/72/464131572.db2.gz LGUVHSLVQBRSSC-CQSZACIVSA-N 0 0 344.386 2.368 40 0 EEABRN CN(C)c1nc(N2CCCC2)ncc1NC(=O)Cc1ccccc1 ZINC000224352222 464151728 /nfs/dbraw/zinc/15/17/28/464151728.db2.gz YARWIYNBINOYOG-UHFFFAOYSA-N 0 0 325.416 2.324 40 0 EEABRN CCOC(=O)c1cnc(NC(=S)NCCCOC(C)C)nc1C ZINC000225197855 464154923 /nfs/dbraw/zinc/15/49/23/464154923.db2.gz WUQCMQZDOTXCCM-UHFFFAOYSA-N 0 0 340.449 2.063 40 0 EEABRN Nc1ncnc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480921 464163290 /nfs/dbraw/zinc/16/32/90/464163290.db2.gz KTTHWSZQFMCDMI-CYBMUJFWSA-N 0 0 345.834 2.215 40 0 EEABRN C[C@H](CCC1CC1)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000225491624 464165526 /nfs/dbraw/zinc/16/55/26/464165526.db2.gz RYSZDOGMSJWWIF-PVAVHDDUSA-N 0 0 334.460 2.123 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000225504546 464166286 /nfs/dbraw/zinc/16/62/86/464166286.db2.gz TVIHJBIMTCFNTD-ZDUSSCGKSA-N 0 0 332.429 2.288 40 0 EEABRN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1cccnc1OC(C)C)CC2 ZINC000225520879 464168038 /nfs/dbraw/zinc/16/80/38/464168038.db2.gz DTFOHWJLNJXNEE-CYBMUJFWSA-N 0 0 328.416 2.322 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000225547404 464171319 /nfs/dbraw/zinc/17/13/19/464171319.db2.gz CERBYLANHZWMBW-CYBMUJFWSA-N 0 0 344.434 2.441 40 0 EEABRN CC(C)NC(=O)CN1CCOc2ccc(Br)cc2C1 ZINC000225787593 464182600 /nfs/dbraw/zinc/18/26/00/464182600.db2.gz SKRDVOOBASZYFW-UHFFFAOYSA-N 0 0 327.222 2.168 40 0 EEABRN C[C@@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H]1C ZINC000179862514 464200546 /nfs/dbraw/zinc/20/05/46/464200546.db2.gz DYPGDWXFAOHLIK-OLZOCXBDSA-N 0 0 339.461 2.388 40 0 EEABRN CCCOc1nc(C)ccc1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000188247598 464235851 /nfs/dbraw/zinc/23/58/51/464235851.db2.gz HOWBZLINQVVMHY-UHFFFAOYSA-N 0 0 344.415 2.125 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1ccnc1C(=O)c1cccnc1 ZINC000188905537 464393257 /nfs/dbraw/zinc/39/32/57/464393257.db2.gz IFAOOLVBKLJSNI-KBPBESRZSA-N 0 0 326.400 2.299 40 0 EEABRN O=C(Nc1cccnc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000189084207 464430114 /nfs/dbraw/zinc/43/01/14/464430114.db2.gz XFSRLWPOAVZHEY-UHFFFAOYSA-N 0 0 349.394 2.303 40 0 EEABRN Cn1ccc([C@H](NC(=O)C2=COCCO2)c2ccc(Cl)cc2)n1 ZINC000241446951 464453466 /nfs/dbraw/zinc/45/34/66/464453466.db2.gz NPWSLENTMSRQCH-OAHLLOKOSA-N 0 0 333.775 2.167 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000245228407 464468795 /nfs/dbraw/zinc/46/87/95/464468795.db2.gz VVZRFMPUMLJMEX-DVOMOZLQSA-N 0 0 333.384 2.065 40 0 EEABRN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000190053722 464591968 /nfs/dbraw/zinc/59/19/68/464591968.db2.gz VXJUVVJTOMGMOM-SFYZADRCSA-N 0 0 332.734 2.193 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000175807475 464629751 /nfs/dbraw/zinc/62/97/51/464629751.db2.gz KOYRHEPSDKRGSG-UHFFFAOYSA-N 0 0 346.452 2.174 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ncc(F)cc1F ZINC000190527571 464669174 /nfs/dbraw/zinc/66/91/74/464669174.db2.gz XUKGSEIXNCKEAP-ZDUSSCGKSA-N 0 0 349.312 2.424 40 0 EEABRN CCOc1ccccc1C(=O)N1CCN(C(=O)N(C)C(C)C)CC1 ZINC000190657361 464697553 /nfs/dbraw/zinc/69/75/53/464697553.db2.gz IVAQRSDOLSSSSS-UHFFFAOYSA-N 0 0 333.432 2.303 40 0 EEABRN O=C(CO[C@@H]1Cn2cccc2CN(Cc2ccco2)C1)N1CCCC1 ZINC000247741246 464705150 /nfs/dbraw/zinc/70/51/50/464705150.db2.gz OMNGAAFGQRZBCP-SFHVURJKSA-N 0 0 343.427 2.105 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)nn1 ZINC000247881520 464712398 /nfs/dbraw/zinc/71/23/98/464712398.db2.gz CDCWHXNIFYBRFW-INIZCTEOSA-N 0 0 326.400 2.135 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCCC[C@H]1CCOC1 ZINC000247980802 464719025 /nfs/dbraw/zinc/71/90/25/464719025.db2.gz WZGBCBAHWCCFKK-IGCXYCKISA-N 0 0 334.391 2.498 40 0 EEABRN Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccn3)CC2)c(C)o1 ZINC000183091580 464793896 /nfs/dbraw/zinc/79/38/96/464793896.db2.gz MPCXOMFFNNUBLF-UHFFFAOYSA-N 0 0 349.456 2.234 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCc4c[nH]nc43)CCO2)n1 ZINC000252497249 464969260 /nfs/dbraw/zinc/96/92/60/464969260.db2.gz QCGCLAURWXSBRP-QWHCGFSZSA-N 0 0 347.444 2.335 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)sc1C ZINC000253421196 465008556 /nfs/dbraw/zinc/00/85/56/465008556.db2.gz ROQBOEFOAKRTCG-ZDUSSCGKSA-N 0 0 342.486 2.005 40 0 EEABRN O=C(c1ccc(-c2cccs2)cc1)N1CC(N2C(=O)CCC2=O)C1 ZINC000253472243 465016359 /nfs/dbraw/zinc/01/63/59/465016359.db2.gz KWEJHIVGBWKWRY-UHFFFAOYSA-N 0 0 340.404 2.389 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NCCc2ccccc2Cl)cc1 ZINC000339548533 465340848 /nfs/dbraw/zinc/34/08/48/465340848.db2.gz MZPUHNOHWLJJAL-UHFFFAOYSA-N 0 0 346.814 2.324 40 0 EEABRN CCCNC(=O)c1cc2c(CNC(=O)CC(C)C)nn(C)c2s1 ZINC000306131077 466489263 /nfs/dbraw/zinc/48/92/63/466489263.db2.gz JVYOLDIEZYRLFW-UHFFFAOYSA-N 0 0 336.461 2.437 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H]3CCN(c4ccccn4)[C@H]3CC2)[nH]n1 ZINC000306131222 466492281 /nfs/dbraw/zinc/49/22/81/466492281.db2.gz JYULBKPQFRTIBD-ZBFHGGJFSA-N 0 0 325.416 2.244 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCOCc1ccccn1)C1(F)CCC1 ZINC000306137079 466492526 /nfs/dbraw/zinc/49/25/26/466492526.db2.gz QLCMMRDCRWWVNL-OAHLLOKOSA-N 0 0 348.418 2.498 40 0 EEABRN Cc1nnc(CC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)o1 ZINC000368056811 466573384 /nfs/dbraw/zinc/57/33/84/466573384.db2.gz AAPCDWMXINSWAW-AWEZNQCLSA-N 0 0 325.290 2.441 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408587514 466681182 /nfs/dbraw/zinc/68/11/82/466681182.db2.gz DHLIEEPMLVQBKW-CYBMUJFWSA-N 0 0 342.461 2.057 40 0 EEABRN COC(=O)c1cn([C@H](C)C(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000409207245 466686766 /nfs/dbraw/zinc/68/67/66/466686766.db2.gz UMTBUTASVLRDAH-OLZOCXBDSA-N 0 0 330.384 2.284 40 0 EEABRN CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)c3ccccc3F)C[C@H]21 ZINC000514289033 467941930 /nfs/dbraw/zinc/94/19/30/467941930.db2.gz FJSMAZJDXPBZEN-WBVHZDCISA-N 0 0 340.354 2.183 40 0 biogenic,in-vitro EEABRN O=C(N1CC2(C1)C[C@H](OCc1ccncc1)CCO2)C1(F)CCC1 ZINC000575405704 468141710 /nfs/dbraw/zinc/14/17/10/468141710.db2.gz UIRSDHAWMQMYHJ-OAHLLOKOSA-N 0 0 334.391 2.250 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000575404044 468141797 /nfs/dbraw/zinc/14/17/97/468141797.db2.gz LUNSUGXURCYVHY-INIZCTEOSA-N 0 0 340.379 2.240 40 0 EEABRN O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000575413841 468142687 /nfs/dbraw/zinc/14/26/87/468142687.db2.gz CYLWGOGAROZQES-AWEZNQCLSA-N 0 0 340.358 2.319 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2ccnc(C)n2)C1 ZINC000575604736 468146117 /nfs/dbraw/zinc/14/61/17/468146117.db2.gz DWDXQBGHOVGQNV-OAHLLOKOSA-N 0 0 344.415 2.392 40 0 EEABRN CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 ZINC000585095988 468964067 /nfs/dbraw/zinc/96/40/67/468964067.db2.gz WNBGTJWMSNAXFH-CQSZACIVSA-N 0 0 346.456 2.190 40 0 EEABRN CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 ZINC000585096012 468964721 /nfs/dbraw/zinc/96/47/21/468964721.db2.gz XWXNBTFUHWDDOC-OAHLLOKOSA-N 0 0 344.415 2.256 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(Cc2cccc(OC)c2)C1 ZINC000585099030 468967394 /nfs/dbraw/zinc/96/73/94/468967394.db2.gz DAMRHMFVCUSMDI-MRXNPFEDSA-N 0 0 327.428 2.265 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585103230 468970439 /nfs/dbraw/zinc/97/04/39/468970439.db2.gz AGPZQARRRRFFMH-CYBMUJFWSA-N 0 0 347.465 2.455 40 0 EEABRN C[C@@](O)(CNC(=O)Cc1ncc(Br)cc1Cl)C1CC1 ZINC000585141149 468990793 /nfs/dbraw/zinc/99/07/93/468990793.db2.gz QOAKEHJGAILFPI-CYBMUJFWSA-N 0 0 347.640 2.317 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585272157 468999053 /nfs/dbraw/zinc/99/90/53/468999053.db2.gz LQAXBDFEPNRQOX-HXUWFJFHSA-N 0 0 343.398 2.201 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)CC2CCC2)C1 ZINC000585276135 469000389 /nfs/dbraw/zinc/00/03/89/469000389.db2.gz MKXABRTXNNGWTP-IBGZPJMESA-N 0 0 333.428 2.154 40 0 EEABRN COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccccc2Cl)CCO1 ZINC000585278006 469003629 /nfs/dbraw/zinc/00/36/29/469003629.db2.gz ONVSCEHSMHQHKV-QGZVFWFLSA-N 0 0 340.851 2.036 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@@](CO)(Cc3ccccc3)C2)[nH]1 ZINC000585278871 469005118 /nfs/dbraw/zinc/00/51/18/469005118.db2.gz WDUOYXZQBHBJCN-IBGZPJMESA-N 0 0 329.444 2.087 40 0 EEABRN COc1ccccc1CNC(=O)CC[C@]1(OC)CCCN(C(C)=O)C1 ZINC000585280410 469008033 /nfs/dbraw/zinc/00/80/33/469008033.db2.gz HWTORDFZMODQAB-LJQANCHMSA-N 0 0 348.443 2.119 40 0 EEABRN CCO[C@@H]1CCC[C@H]1Nc1ncnc2ccc(S(C)(=O)=O)cc21 ZINC000649555878 470625897 /nfs/dbraw/zinc/62/58/97/470625897.db2.gz CALKVCHQRFNBAR-HUUCEWRRSA-N 0 0 335.429 2.403 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)s1 ZINC000257292748 500998789 /nfs/dbraw/zinc/99/87/89/500998789.db2.gz QMUMZDMKEAXSAB-CQSZACIVSA-N 0 0 332.429 2.380 40 0 EEABRN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000096432698 501046663 /nfs/dbraw/zinc/04/66/63/501046663.db2.gz CVDSLDSULGOSKU-QLJPJBMISA-N 0 0 343.395 2.357 40 0 EEABRN Cc1ccc(Br)cc1CNC(=O)N1CC[C@](C)(O)C1 ZINC000187598010 534254240 /nfs/dbraw/zinc/25/42/40/534254240.db2.gz MLQOMMOKPXLIIY-AWEZNQCLSA-N 0 0 327.222 2.424 40 0 EEABRN CCCNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000042712219 519867164 /nfs/dbraw/zinc/86/71/64/519867164.db2.gz RBNUTUFXXAWBFV-UHFFFAOYSA-N 0 0 334.416 2.082 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C ZINC000408617889 527025242 /nfs/dbraw/zinc/02/52/42/527025242.db2.gz DXZFKPCMPSEVCM-UHFFFAOYSA-N 0 0 328.434 2.047 40 0 EEABRN COC1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CCOCC1 ZINC000225809744 536534741 /nfs/dbraw/zinc/53/47/41/536534741.db2.gz IFXDMZIXILJNKS-UHFFFAOYSA-N 0 0 347.333 2.440 40 0 EEABRN CC(C)c1nnc(NC(=O)CN2CCOC[C@@H]2c2cccn2C)s1 ZINC000131720926 528455946 /nfs/dbraw/zinc/45/59/46/528455946.db2.gz FPKVPFLVCQBRNQ-CYBMUJFWSA-N 0 0 349.460 2.012 40 0 EEABRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000187634639 528962515 /nfs/dbraw/zinc/96/25/15/528962515.db2.gz DPXHURFFLTVJLS-YOEHRIQHSA-N 0 0 338.492 2.327 40 0 EEABRN CC1(C)CN(C(=O)NCCCn2ccnn2)CC[C@H]1C(F)(F)F ZINC000189901579 529084211 /nfs/dbraw/zinc/08/42/11/529084211.db2.gz HOULOLCSYONAIB-LLVKDONJSA-N 0 0 333.358 2.288 40 0 EEABRN CCOc1c(I)cc(/C=C/C(N)=O)cc1OC ZINC000216945116 535654623 /nfs/dbraw/zinc/65/46/23/535654623.db2.gz CMKFKTHOWLWVQY-SNAWJCMRSA-N 0 0 347.152 2.197 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)n1 ZINC000257205322 536421781 /nfs/dbraw/zinc/42/17/81/536421781.db2.gz AYNDYCJHVSXIPO-OAHLLOKOSA-N 0 0 336.399 2.452 40 0 EEABRN COc1cc(C)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 ZINC000226015515 536703542 /nfs/dbraw/zinc/70/35/42/536703542.db2.gz GSHOTGJHVRIDEV-UHFFFAOYSA-N 0 0 346.412 2.051 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCCCCC2)n1 ZINC000225899898 536892558 /nfs/dbraw/zinc/89/25/58/536892558.db2.gz SBZDLTOERBDNBY-UHFFFAOYSA-N 0 0 343.884 2.443 40 0 EEABRN Cc1ncc(NC(=O)N(C)Cc2ncc(Br)cn2)cn1 ZINC000930204853 1206541279 /nfs/dbraw/zinc/54/12/79/1206541279.db2.gz DIZDKTNQEBSTLH-UHFFFAOYSA-N 0 0 337.181 2.001 40 0 EEABRN CCCNC(=O)Cn1c2sc(C)nc2c(-c2cccs2)nc1=O ZINC000032616336 1352383080 /nfs/dbraw/zinc/38/30/80/1352383080.db2.gz YQLRHLWDIZHBRV-UHFFFAOYSA-N 0 0 348.453 2.416 40 0 EEABRN O=C(NC1CCCC1)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000199426647 1406142464 /nfs/dbraw/zinc/14/24/64/1406142464.db2.gz JTWOOQHHDOGEPK-KRWDZBQOSA-N 0 0 342.370 2.470 40 0 EEABRN CCc1ncc(CNC(=O)c2c(C)c(=O)n(C)c3ccccc32)o1 ZINC000821831259 786901499 /nfs/dbraw/zinc/90/14/99/786901499.db2.gz SZNLVIAJWLMJBN-UHFFFAOYSA-N 0 0 325.368 2.327 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000053664314 214192774 /nfs/dbraw/zinc/19/27/74/214192774.db2.gz PTCDNOLPMYOJDL-UHFFFAOYSA-N 0 0 333.384 2.150 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 ZINC000055547867 214328518 /nfs/dbraw/zinc/32/85/18/214328518.db2.gz UQUCQFDJIQUCNB-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CC[C@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)OC ZINC000153955948 529481520 /nfs/dbraw/zinc/48/15/20/529481520.db2.gz YBLWXEZVETWUSY-NSHDSACASA-N 0 0 332.169 2.199 40 0 EEABRN COc1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000101275062 219120669 /nfs/dbraw/zinc/12/06/69/219120669.db2.gz SLNMATYHZMBTNJ-HNNXBMFYSA-N 0 0 326.352 2.448 40 0 EEABRN CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000004335154 210175034 /nfs/dbraw/zinc/17/50/34/210175034.db2.gz ZXOJBJSXZAKOQH-BBWFWOEESA-N 0 0 337.379 2.338 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010324770 529944513 /nfs/dbraw/zinc/94/45/13/529944513.db2.gz ZSVDISLBYPMRLB-LBPRGKRZSA-N 0 0 330.409 2.186 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)[O-] ZINC000004280162 210160946 /nfs/dbraw/zinc/16/09/46/210160946.db2.gz XWCPHFHMHSVSSQ-GXTWGEPZSA-N 0 0 340.807 2.199 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc2c[nH]nc2c1 ZINC000191550738 530033505 /nfs/dbraw/zinc/03/35/05/530033505.db2.gz HEFNWBLFUFUVNG-UHFFFAOYSA-N 0 0 342.424 2.034 40 0 EEABRN CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](O)CCC4(C)C)OC1=O ZINC000004097950 210119763 /nfs/dbraw/zinc/11/97/63/210119763.db2.gz VOFXXOPWCBSPAA-KCNJUGRMSA-N 0 0 346.379 2.139 40 0 endogenous,in-man EEABRN CC(=O)N1CCC(NC(=O)c2cc3ccc(F)cc3nc2C)CC1 ZINC000040477535 213312810 /nfs/dbraw/zinc/31/28/10/213312810.db2.gz PKKWIVQGMZEJOO-UHFFFAOYSA-N 0 0 329.375 2.423 40 0 EEABRN COc1ccc(COCC(=O)N2CCc3ccc(F)c(F)c32)cn1 ZINC000585123734 539980674 /nfs/dbraw/zinc/98/06/74/539980674.db2.gz PMBRAPKZQFZJCS-UHFFFAOYSA-N 0 0 334.322 2.474 40 0 EEABRN Cc1cccc2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)cn21 ZINC000040042933 213254426 /nfs/dbraw/zinc/25/44/26/213254426.db2.gz USGFOMGPFQRWPR-UHFFFAOYSA-N 0 0 344.396 2.267 40 0 EEABRN CC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC000070636733 215701319 /nfs/dbraw/zinc/70/13/19/215701319.db2.gz ZJBPVLJJMXIKPH-INIZCTEOSA-N 0 0 325.430 2.109 40 0 EEABRN CCn1cc(CCC(=O)N[C@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000071195914 215743879 /nfs/dbraw/zinc/74/38/79/215743879.db2.gz JZTVBLMNKAWWFA-KRWDZBQOSA-N 0 0 327.432 2.436 40 0 EEABRN NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000072056713 216000214 /nfs/dbraw/zinc/00/02/14/216000214.db2.gz LYMQREIOZNKMJB-HZPDHXFCSA-N 0 0 348.399 2.356 40 0 EEABRN CCC(=O)N1CCN(c2c(Cl)cccc2NC(N)=S)CC1 ZINC000072230116 216070483 /nfs/dbraw/zinc/07/04/83/216070483.db2.gz QBOOIPSINAMRMC-UHFFFAOYSA-N 0 0 326.853 2.054 40 0 EEABRN CCOCc1cccc(S(=O)(=O)Nc2cccc(C(=O)NC)c2)c1 ZINC000072241223 216079494 /nfs/dbraw/zinc/07/94/94/216079494.db2.gz WJVOWCMQAMROGD-UHFFFAOYSA-N 0 0 348.424 2.384 40 0 EEABRN O=C(NC1CC1)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339006 216157586 /nfs/dbraw/zinc/15/75/86/216157586.db2.gz OHBLMBMJYSAOJP-FEJNDBLASA-N 0 0 326.396 2.220 40 0 EEABRN Cc1cc(N2CCC[C@@H](c3nccnc3Nc3ncccn3)C2)ncn1 ZINC000072369016 216176490 /nfs/dbraw/zinc/17/64/90/216176490.db2.gz KNAJKZBULMLPTH-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN COCC(=O)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371290 216177430 /nfs/dbraw/zinc/17/74/30/216177430.db2.gz MAGYXNWYJDADLL-CYBMUJFWSA-N 0 0 347.390 2.133 40 0 EEABRN CS(=O)(=O)N[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000131405670 223230172 /nfs/dbraw/zinc/23/01/72/223230172.db2.gz PZUUXUJSHKIQPN-LLVKDONJSA-N 0 0 341.383 2.031 40 0 EEABRN CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)on1 ZINC000072785315 216305713 /nfs/dbraw/zinc/30/57/13/216305713.db2.gz ZFVSUYQAMXADSO-UHFFFAOYSA-N 0 0 342.399 2.228 40 0 EEABRN CC(C)C[C@@H]1COCCN1C(=O)NCCc1nccn1C(F)F ZINC000073056381 216345583 /nfs/dbraw/zinc/34/55/83/216345583.db2.gz BCBPXNHKVQUWPK-GFCCVEGCSA-N 0 0 330.379 2.277 40 0 EEABRN CCCCOCC(=O)N1CCN(c2nncc3ccccc32)CC1 ZINC000073102000 216349265 /nfs/dbraw/zinc/34/92/65/216349265.db2.gz OULAVVXBOJTNFI-UHFFFAOYSA-N 0 0 328.416 2.095 40 0 EEABRN CCn1cc([C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)cn1 ZINC000191786728 239297968 /nfs/dbraw/zinc/29/79/68/239297968.db2.gz PDKIEBBRRSNGSO-QGZVFWFLSA-N 0 0 328.416 2.183 40 0 EEABRN CC(C)CC(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 ZINC000075161882 216590958 /nfs/dbraw/zinc/59/09/58/216590958.db2.gz ASESDWQFWGCBNI-UHFFFAOYSA-N 0 0 340.431 2.183 40 0 EEABRN Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000194654206 240668819 /nfs/dbraw/zinc/66/88/19/240668819.db2.gz HHOWTCAVBSGHHA-CYBMUJFWSA-N 0 0 347.369 2.057 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218487695 241326759 /nfs/dbraw/zinc/32/67/59/241326759.db2.gz KGOMHKWVBJQRJM-SGMGOOAPSA-N 0 0 347.889 2.159 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1 ZINC000218171625 241303116 /nfs/dbraw/zinc/30/31/16/241303116.db2.gz MSIWLWCTKVVSOR-FHLIZLRMSA-N 0 0 346.404 2.272 40 0 EEABRN Cc1nc2ccccn2c1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 ZINC000225424864 241855542 /nfs/dbraw/zinc/85/55/42/241855542.db2.gz RZYTYMSEQHLFQF-AWEZNQCLSA-N 0 0 337.383 2.035 40 0 EEABRN COCCn1cc(CNC(=O)N[C@@H](C)c2cccc(F)c2F)cn1 ZINC000225698144 241991013 /nfs/dbraw/zinc/99/10/13/241991013.db2.gz QDRYNAPQKIVZBG-NSHDSACASA-N 0 0 338.358 2.368 40 0 EEABRN Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCN(C)CC2)n1 ZINC000225918238 242077322 /nfs/dbraw/zinc/07/73/22/242077322.db2.gz QVDROHCEUPVQTM-UHFFFAOYSA-N 0 0 325.416 2.225 40 0 EEABRN O=C(NCCN1Cc2cc(F)ccc2OCC1=O)[C@H]1CC=CCC1 ZINC000225770826 242028696 /nfs/dbraw/zinc/02/86/96/242028696.db2.gz OGOXJUFPSPLPER-ZDUSSCGKSA-N 0 0 332.375 2.019 40 0 EEABRN C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N(C)C ZINC000227159633 242123470 /nfs/dbraw/zinc/12/34/70/242123470.db2.gz RBDNBIIFYSFUJY-SNVBAGLBSA-N 0 0 338.205 2.490 40 0 EEABRN COCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1C ZINC000227151172 242124070 /nfs/dbraw/zinc/12/40/70/242124070.db2.gz WPKZSGOPDLLTFK-UHFFFAOYSA-N 0 0 331.416 2.491 40 0 EEABRN Cn1nncc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000242191346 243012859 /nfs/dbraw/zinc/01/28/59/243012859.db2.gz XEUXKXWEDCTGAM-UHFFFAOYSA-N 0 0 337.431 2.336 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000245343886 243102674 /nfs/dbraw/zinc/10/26/74/243102674.db2.gz WHBZJIXZKITJKT-JDFRZJQESA-N 0 0 344.415 2.108 40 0 EEABRN CCN(CC)C(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n(C)n1 ZINC000020606075 212153682 /nfs/dbraw/zinc/15/36/82/212153682.db2.gz ASDYREUTAFALMK-RDBSUJKOSA-N 0 0 334.464 2.457 40 0 EEABRN CO[C@@H]1CSC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)C1 ZINC000247906554 243479377 /nfs/dbraw/zinc/47/93/77/243479377.db2.gz XGBXWISLGJFQMC-ZDUSSCGKSA-N 0 0 335.425 2.194 40 0 EEABRN CCOc1ncccc1CNC(=O)c1cn(C2CC2)c(C)cc1=O ZINC000253405029 243912660 /nfs/dbraw/zinc/91/26/60/243912660.db2.gz GSCSIQLIYOSQFU-UHFFFAOYSA-N 0 0 327.384 2.215 40 0 EEABRN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000020458372 212132881 /nfs/dbraw/zinc/13/28/81/212132881.db2.gz GUZGGKCVPJENKA-ZENOOKHLSA-N 0 0 334.441 2.280 40 0 EEABRN Cc1nc(C[C@H]2CCCN(C(=O)C3CCC3)C2)cc(C(=O)N(C)C)n1 ZINC000257211091 244150494 /nfs/dbraw/zinc/15/04/94/244150494.db2.gz BXLZNQPIXGTBAR-CQSZACIVSA-N 0 0 344.459 2.068 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3cccc(COC)c3)CCO2)n1 ZINC000257222211 244189413 /nfs/dbraw/zinc/18/94/13/244189413.db2.gz DSKFPZMLWZQXOR-KRWDZBQOSA-N 0 0 341.411 2.483 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccccn1)C2 ZINC000257227447 244204961 /nfs/dbraw/zinc/20/49/61/244204961.db2.gz FPIHOCYMIWODAR-LKCYJCQHSA-N 0 0 327.428 2.476 40 0 EEABRN COCc1cccc(C(=O)N2CCOC[C@H]2CCc2cnccn2)c1 ZINC000257220122 244182868 /nfs/dbraw/zinc/18/28/68/244182868.db2.gz DJPUYUDCRQTZHI-GOSISDBHSA-N 0 0 341.411 2.097 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3cc(C)on3)CCN2C(C)=O)cc1 ZINC000257243816 244251750 /nfs/dbraw/zinc/25/17/50/244251750.db2.gz IIRDFZGAAXVBKB-SFHVURJKSA-N 0 0 329.400 2.397 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257245923 244255767 /nfs/dbraw/zinc/25/57/67/244255767.db2.gz IRQXDPIMAVWHLA-OAHLLOKOSA-N 0 0 344.415 2.220 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cccc(-n2cnnc2)c1 ZINC000257245811 244256136 /nfs/dbraw/zinc/25/61/36/244256136.db2.gz IREIRFDUZKVWJS-INIZCTEOSA-N 0 0 348.410 2.061 40 0 EEABRN Cc1nc([C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(N2CCOC2=O)n1 ZINC000257239097 244239836 /nfs/dbraw/zinc/23/98/36/244239836.db2.gz HNYAZVWHTQKLOS-LBPRGKRZSA-N 0 0 348.403 2.466 40 0 EEABRN Cc1ccc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257242560 244247048 /nfs/dbraw/zinc/24/70/48/244247048.db2.gz IDCWXXCSLWLAHV-RTBURBONSA-N 0 0 337.423 2.002 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257258026 244287165 /nfs/dbraw/zinc/28/71/65/244287165.db2.gz KSBXDTNKBNDMHG-CYBMUJFWSA-N 0 0 336.399 2.290 40 0 EEABRN Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1cccs1 ZINC000257260160 244293129 /nfs/dbraw/zinc/29/31/29/244293129.db2.gz LBOCJRYSGDUVLU-AWEZNQCLSA-N 0 0 331.441 2.249 40 0 EEABRN Cc1nc(C(=O)N2CCC3(CCO[C@H]3Cc3cncnc3)CC2)co1 ZINC000257267204 244363366 /nfs/dbraw/zinc/36/33/66/244363366.db2.gz MGJGLTHUQHRKQO-INIZCTEOSA-N 0 0 342.399 2.027 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC000257268087 244366644 /nfs/dbraw/zinc/36/66/44/244366644.db2.gz MKDPORXHTBPHQI-DLBZAZTESA-N 0 0 330.428 2.176 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CSc2ccc(OC)cc2)CC1 ZINC000020037521 212096469 /nfs/dbraw/zinc/09/64/69/212096469.db2.gz XAZISMPPSKTUNU-UHFFFAOYSA-N 0 0 338.429 2.088 40 0 EEABRN Cn1cncc1-c1cncc(CC2CCN(C(=O)C3CCC3)CC2)n1 ZINC000257260223 244345980 /nfs/dbraw/zinc/34/59/80/244345980.db2.gz LBWAGHHYFGMAKJ-UHFFFAOYSA-N 0 0 339.443 2.458 40 0 EEABRN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000257261255 244348456 /nfs/dbraw/zinc/34/84/56/244348456.db2.gz LGKRIOYGWRXVRV-SFHVURJKSA-N 0 0 348.418 2.051 40 0 EEABRN Cc1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000019936679 212087667 /nfs/dbraw/zinc/08/76/67/212087667.db2.gz RRAZRIBFTJJGNC-UHFFFAOYSA-N 0 0 336.344 2.380 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2c(C)noc2C)n1 ZINC000257333886 244556060 /nfs/dbraw/zinc/55/60/60/244556060.db2.gz YDNGRLQGOCUQHB-MRXNPFEDSA-N 0 0 342.399 2.300 40 0 EEABRN Cc1noc(C)c1CCC(=O)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257326694 244538762 /nfs/dbraw/zinc/53/87/62/244538762.db2.gz WYFIQHODWOQZFI-CQSZACIVSA-N 0 0 344.415 2.224 40 0 EEABRN O=C(CC1CCCC1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257338117 244567373 /nfs/dbraw/zinc/56/73/73/244567373.db2.gz YVXZVXYBDWFEAS-SFHVURJKSA-N 0 0 335.423 2.249 40 0 EEABRN Cc1nonc1C(=O)N1CCC[C@H](c2ccc(-c3cn[nH]c3)cn2)C1 ZINC000019688716 212056104 /nfs/dbraw/zinc/05/61/04/212056104.db2.gz AGPCSZDFDIBLMC-ZDUSSCGKSA-N 0 0 338.371 2.183 40 0 EEABRN Cc1nn(C)cc1C(=O)NCc1nnc(-c2nccc3ccccc32)o1 ZINC000019583642 212047393 /nfs/dbraw/zinc/04/73/93/212047393.db2.gz OIHZCWBWAQGFMM-UHFFFAOYSA-N 0 0 348.366 2.257 40 0 EEABRN CC[C@H](CN1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019500348 212034144 /nfs/dbraw/zinc/03/41/44/212034144.db2.gz NAFBMLISHYDOIJ-OAHLLOKOSA-N 0 0 347.434 2.385 40 0 EEABRN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(Cl)cc1F ZINC000077939839 217003685 /nfs/dbraw/zinc/00/36/85/217003685.db2.gz RGROYKTVZAUOIO-RNCFNFMXSA-N 0 0 328.771 2.085 40 0 EEABRN CCN(C(=O)[C@]1(C)CC1(Cl)Cl)[C@H](C)CS(=O)(=O)CC ZINC000079041679 284249856 /nfs/dbraw/zinc/24/98/56/284249856.db2.gz GCAFMJZTGSJTLF-KOLCDFICSA-N 0 0 330.277 2.242 40 0 EEABRN COc1ccc([C@H]2CCCN2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290724 212012140 /nfs/dbraw/zinc/01/21/40/212012140.db2.gz IONPCDBFNBHIMR-MRXNPFEDSA-N 0 0 344.415 2.213 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000078556373 217075911 /nfs/dbraw/zinc/07/59/11/217075911.db2.gz JWWUBIPOMQMMQX-ZNMIVQPWSA-N 0 0 339.457 2.101 40 0 EEABRN O=C(N[C@@H](Cc1ccccc1)C1CCCC1)N1CCO[C@H](CO)C1 ZINC000078960850 217157436 /nfs/dbraw/zinc/15/74/36/217157436.db2.gz HBIFROJKLVLTEO-ROUUACIJSA-N 0 0 332.444 2.191 40 0 EEABRN CN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1 ZINC000016188027 211888273 /nfs/dbraw/zinc/88/82/73/211888273.db2.gz TZEBNWRNZMAJHL-UHFFFAOYSA-N 0 0 340.351 2.224 40 0 EEABRN O=C(CN1CCCCC1=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000079333624 217210174 /nfs/dbraw/zinc/21/01/74/217210174.db2.gz KYKPSKMILLMUON-UHFFFAOYSA-N 0 0 345.443 2.422 40 0 EEABRN Cc1noc2nc(C)cc(C(=O)N(C)Cc3nnc4ccccn43)c12 ZINC000079333513 217209394 /nfs/dbraw/zinc/20/93/94/217209394.db2.gz FUNHLBMLTPUEKR-UHFFFAOYSA-N 0 0 336.355 2.155 40 0 EEABRN C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000265282719 247369036 /nfs/dbraw/zinc/36/90/36/247369036.db2.gz NJLOUYOANTVSSC-CYBMUJFWSA-N 0 0 326.400 2.466 40 0 EEABRN C[C@@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000013888552 296243811 /nfs/dbraw/zinc/24/38/11/296243811.db2.gz ZVQLILUCRUIFNH-ZBEGNZNMSA-N 0 0 331.326 2.038 40 0 in-vitro EEABRN O=C(Cc1ccsc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000012365071 211357188 /nfs/dbraw/zinc/35/71/88/211357188.db2.gz FXRPWDIMIWZULQ-GFCCVEGCSA-N 0 0 327.413 2.363 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)on1 ZINC000012292024 211334559 /nfs/dbraw/zinc/33/45/59/211334559.db2.gz XVRQSOZIBPCQDD-LBPRGKRZSA-N 0 0 339.355 2.448 40 0 EEABRN CCCCNC(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1 ZINC000008964383 211024460 /nfs/dbraw/zinc/02/44/60/211024460.db2.gz SRBKICUOJMVGGW-UHFFFAOYSA-N 0 0 327.450 2.073 40 0 EEABRN O=C(NCCNC(=O)C1CCCC1)N[C@H](c1nccs1)C1CC1 ZINC000095404589 218339415 /nfs/dbraw/zinc/33/94/15/218339415.db2.gz JJSWAUQVAULPMZ-ZDUSSCGKSA-N 0 0 336.461 2.200 40 0 EEABRN COc1cc(=O)n(Cc2cn3ccccc3n2)cc1Br ZINC000095451622 218395748 /nfs/dbraw/zinc/39/57/48/218395748.db2.gz NUEVZLLFSXCMQK-UHFFFAOYSA-N 0 0 334.173 2.315 40 0 EEABRN C[C@H]1CN(C(=O)c2cscn2)C[C@@]12CCN(c1cccnc1)C2=O ZINC000096070316 218568115 /nfs/dbraw/zinc/56/81/15/218568115.db2.gz GWMGLQMXCPWDCU-SJCJKPOMSA-N 0 0 342.424 2.053 40 0 EEABRN CCOC[C@]12COC[C@H]1CN(C(=O)CC1Cc3ccccc3C1)C2 ZINC000096108683 218602043 /nfs/dbraw/zinc/60/20/43/218602043.db2.gz QXXVHWUJAWOHRJ-UYAOXDASSA-N 0 0 329.440 2.303 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161331 218637877 /nfs/dbraw/zinc/63/78/77/218637877.db2.gz FWJGCASCXWNFFV-QGZVFWFLSA-N 0 0 335.407 2.218 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)o1 ZINC000096186468 218653175 /nfs/dbraw/zinc/65/31/75/218653175.db2.gz SSCPBVVSKDHVIA-GJZGRUSLSA-N 0 0 325.368 2.393 40 0 EEABRN O=C(NCc1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1ccncc1 ZINC000096200721 218671994 /nfs/dbraw/zinc/67/19/94/218671994.db2.gz PPAMLDUGULKVSM-IRXDYDNUSA-N 0 0 329.375 2.108 40 0 EEABRN COC(=O)[C@H](NCCc1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000096410425 218764195 /nfs/dbraw/zinc/76/41/95/218764195.db2.gz OXLCLKGAXKLDMI-MRXNPFEDSA-N 0 0 346.814 2.485 40 0 EEABRN CCOC(=O)C1=NN(c2ccccc2)C2=CC(C)=NN(C)C(=S)N21 ZINC000005828700 210543716 /nfs/dbraw/zinc/54/37/16/210543716.db2.gz GTZGBRZINLRULU-UHFFFAOYSA-N 0 0 343.412 2.133 40 0 EEABRN O=C(NC[C@H](O)c1ccccc1F)c1cccc(N2CCCC2=O)c1 ZINC000096445831 218828522 /nfs/dbraw/zinc/82/85/22/218828522.db2.gz HGEKWPBKVVMXDM-KRWDZBQOSA-N 0 0 342.370 2.416 40 0 EEABRN Cn1ccnc1CNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000096461978 218844394 /nfs/dbraw/zinc/84/43/94/218844394.db2.gz SQGJIFZWDCGRSC-UHFFFAOYSA-N 0 0 342.321 2.361 40 0 EEABRN CNS(=O)(=O)c1ccc(NC[C@@]2(C)CCCC[C@H]2O)c(F)c1 ZINC000096489934 218867161 /nfs/dbraw/zinc/86/71/61/218867161.db2.gz FTAWYNKMGGDAQO-HUUCEWRRSA-N 0 0 330.425 2.087 40 0 EEABRN Cc1cc(NS(C)(=O)=O)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000004913789 210320551 /nfs/dbraw/zinc/32/05/51/210320551.db2.gz ZTXKCNDJIURSFP-UHFFFAOYSA-N 0 0 344.795 2.369 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1 ZINC000004909432 210319564 /nfs/dbraw/zinc/31/95/64/210319564.db2.gz XJAVATKRSBLHRJ-ZBFHGGJFSA-N 0 0 337.508 2.308 40 0 EEABRN CC(C)[C@@H](O)Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097379287 219020108 /nfs/dbraw/zinc/02/01/08/219020108.db2.gz VEZZKUHPNFRNIW-INIZCTEOSA-N 0 0 331.416 2.128 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000276844861 256472829 /nfs/dbraw/zinc/47/28/29/256472829.db2.gz CSRPYDGKSUMPCM-GFCCVEGCSA-N 0 0 335.347 2.240 40 0 EEABRN CCOC(=O)c1cc(C(=O)OC)n(CCC(=O)c2ccc(C)cc2)n1 ZINC000096511629 257692428 /nfs/dbraw/zinc/69/24/28/257692428.db2.gz ZQKYAICRQLTIEF-UHFFFAOYSA-N 0 0 344.367 2.428 40 0 EEABRN O=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCCCC2)nc1 ZINC000040485634 132399892 /nfs/dbraw/zinc/39/98/92/132399892.db2.gz IGKRSTVXMLCUFT-UHFFFAOYSA-N 0 0 342.399 2.424 40 0 EEABRN CO[C@H]1CSC2(CN(C(=O)c3ccc4c(c3)OCCCO4)C2)C1 ZINC000247906551 286079711 /nfs/dbraw/zinc/07/97/11/286079711.db2.gz XGBXWISLGJFQMC-CYBMUJFWSA-N 0 0 335.425 2.194 40 0 EEABRN COC[C@H]1CN(C(=O)[C@](C)(O)CCc2ccccc2)CC(C)(C)O1 ZINC000285081783 274675618 /nfs/dbraw/zinc/67/56/18/274675618.db2.gz PSJIQJTYHRSVMF-VQIMIIECSA-N 0 0 335.444 2.023 40 0 EEABRN C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000292263268 275403417 /nfs/dbraw/zinc/40/34/17/275403417.db2.gz SWSSDFIXOOWEGZ-YRGRVCCFSA-N 0 0 328.434 2.338 40 0 EEABRN CC(C)(C)OC(=O)NC1CC[NH+]([C@H](C(=O)[O-])c2ccncc2)CC1 ZINC000095864958 278425461 /nfs/dbraw/zinc/42/54/61/278425461.db2.gz MCGQYLXWGZHYTJ-AWEZNQCLSA-N 0 0 335.404 2.196 40 0 EEABRN C[C@]12C[C@H](c3ccccc3O1)n1c(=O)/c(=C\c3ccoc3)sc1=N2 ZINC000006525859 278572980 /nfs/dbraw/zinc/57/29/80/278572980.db2.gz PEAOQPNEEKKBCJ-XQQWQRRCSA-N 0 0 338.388 2.053 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@@H](c3ccc4c(N)nn(C)c4n3)C2)n1 ZINC000257211628 278681282 /nfs/dbraw/zinc/68/12/82/278681282.db2.gz BZPNGFXJSVCHGY-CYBMUJFWSA-N 0 0 337.431 2.341 40 0 EEABRN Cc1cnc(N2CC[C@@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)nc1 ZINC000096241226 279015984 /nfs/dbraw/zinc/01/59/84/279015984.db2.gz OLKRTROBOFKODJ-QAPCUYQASA-N 0 0 344.390 2.459 40 0 EEABRN CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)Cc1ccon1 ZINC000088787337 281160410 /nfs/dbraw/zinc/16/04/10/281160410.db2.gz JMCNLUDQCKLJGT-HNNXBMFYSA-N 0 0 335.429 2.235 40 0 EEABRN CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000239539171 293617025 /nfs/dbraw/zinc/61/70/25/293617025.db2.gz AVQKYTYUBCESAF-QLFBSQMISA-N 0 0 337.441 2.021 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnoc3)CC[C@H]2OC)cc1 ZINC000096110281 295141455 /nfs/dbraw/zinc/14/14/55/295141455.db2.gz QTHRGFHPCYPAAU-WMLDXEAASA-N 0 0 330.384 2.403 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)N1c3ccccc3C[C@@H]1C)CS2 ZINC000085473678 302377158 /nfs/dbraw/zinc/37/71/58/302377158.db2.gz LDACMVOCEGEXKQ-JSGCOSHPSA-N 0 0 341.436 2.251 40 0 EEABRN C[C@@H]1OCC[C@H]1C(=O)NCCNc1cccc(Br)c1 ZINC000097233999 323321284 /nfs/dbraw/zinc/32/12/84/323321284.db2.gz WIMARHWQIVAOFE-GXFFZTMASA-N 0 0 327.222 2.402 40 0 EEABRN CN(C)C(=O)c1cccc(CCNC(=O)Nc2ccncc2F)c1 ZINC000097376682 323322248 /nfs/dbraw/zinc/32/22/48/323322248.db2.gz RSNMUGWNBHDSME-UHFFFAOYSA-N 0 0 330.363 2.287 40 0 EEABRN O=C(Cn1ccnc1)N1CCc2c(Br)ccc(F)c2C1 ZINC000097375207 323322267 /nfs/dbraw/zinc/32/22/67/323322267.db2.gz SBXHATHNMWZSDF-UHFFFAOYSA-N 0 0 338.180 2.370 40 0 EEABRN CC[C@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)c1nccs1 ZINC000097376461 323322311 /nfs/dbraw/zinc/32/23/11/323322311.db2.gz RVPGXZYIZTZFHT-ZDUSSCGKSA-N 0 0 346.460 2.224 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)Cc1noc2ccccc21 ZINC000097379465 323322946 /nfs/dbraw/zinc/32/29/46/323322946.db2.gz HPSIQMLMORIBMY-MRXNPFEDSA-N 0 0 325.368 2.309 40 0 EEABRN Cc1cc(Br)cc(C(=O)NC(C)(C)C(=O)N(C)C)c1 ZINC000131403987 323328860 /nfs/dbraw/zinc/32/88/60/323328860.db2.gz QPGZGBLFQPSNEN-UHFFFAOYSA-N 0 0 327.222 2.354 40 0 EEABRN Cc1cc(S(=O)(=O)NCc2nnc(C)n2C2CC2)sc1C ZINC000163338802 323334574 /nfs/dbraw/zinc/33/45/74/323334574.db2.gz VJCJEUBUPAQURY-UHFFFAOYSA-N 0 0 326.447 2.078 40 0 EEABRN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)[C@@H]1COCCO1 ZINC000195580441 323515319 /nfs/dbraw/zinc/51/53/19/323515319.db2.gz CNQMSRNBNPJZBS-HNNXBMFYSA-N 0 0 347.802 2.368 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000133388557 462925976 /nfs/dbraw/zinc/92/59/76/462925976.db2.gz QFHKYUMMBYNWJX-GHMZBOCLSA-N 0 0 348.262 2.461 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1 ZINC000000279471 462552762 /nfs/dbraw/zinc/55/27/62/462552762.db2.gz WQUSJXSGSGJUCR-UHFFFAOYSA-N 0 0 338.473 2.168 40 0 EEABRN COc1cccc2cc(C(=O)Nc3ccccc3C(N)=O)c(=O)oc21 ZINC000000416428 462559827 /nfs/dbraw/zinc/55/98/27/462559827.db2.gz GBGRAICZSMHCLY-UHFFFAOYSA-N 0 0 338.319 2.153 40 0 EEABRN CCc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1 ZINC000000416781 462560359 /nfs/dbraw/zinc/56/03/59/462560359.db2.gz KIRBAQGDJUUERW-UHFFFAOYSA-N 0 0 326.451 2.083 40 0 EEABRN CCNC(=O)Cn1ccc(NC(=O)N([C@H](C)c2ccco2)C2CC2)n1 ZINC000086300144 462569287 /nfs/dbraw/zinc/56/92/87/462569287.db2.gz ZPYAWDUCUVGJOP-GFCCVEGCSA-N 0 0 345.403 2.370 40 0 EEABRN COC[C@@](C)(O)C(=O)N[C@H](C)Cc1ccc(Br)cc1F ZINC000086585093 462579407 /nfs/dbraw/zinc/57/94/07/462579407.db2.gz AZYRGJVOMRYTOA-YMTOWFKASA-N 0 0 348.212 2.033 40 0 EEABRN NC(=O)[C@@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000087283742 462600081 /nfs/dbraw/zinc/60/00/81/462600081.db2.gz FBPQWOYZKQHHMB-QMMMGPOBSA-N 0 0 349.239 2.494 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)NCC2(c3ccccc3)CCC2)C[C@@H](C)O1 ZINC000045772858 462617342 /nfs/dbraw/zinc/61/73/42/462617342.db2.gz ZYHRRZCJDHQAIF-HUUCEWRRSA-N 0 0 338.473 2.052 40 0 EEABRN O=c1/c(=C\c2ccc(-c3ccccc3Cl)o2)sc2n1CCN=2 ZINC000005553019 462663208 /nfs/dbraw/zinc/66/32/08/462663208.db2.gz WMUGXTFNLUBPON-NTEUORMPSA-N 0 0 330.796 2.285 40 0 EEABRN O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1ccn2ccnc2c1 ZINC000089332394 462667275 /nfs/dbraw/zinc/66/72/75/462667275.db2.gz UJCOSNPHAVMMMZ-AWEZNQCLSA-N 0 0 347.321 2.399 40 0 EEABRN COc1ccc(N([C@@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000006306728 462681710 /nfs/dbraw/zinc/68/17/10/462681710.db2.gz XNKDANKSQQEJHM-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000006596951 462692274 /nfs/dbraw/zinc/69/22/74/462692274.db2.gz UXFCUJBTRFPYGD-UHFFFAOYSA-N 0 0 326.462 2.321 40 0 EEABRN CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(C[NH+](C)C)c2)c1 ZINC000153889863 462705416 /nfs/dbraw/zinc/70/54/16/462705416.db2.gz HQWVQBBZCQXITD-UHFFFAOYSA-N 0 0 336.461 2.402 40 0 EEABRN CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOC ZINC000006961140 462713544 /nfs/dbraw/zinc/71/35/44/462713544.db2.gz CXKJUZPQRDGBJB-GXDHUFHOSA-N 0 0 330.384 2.296 40 0 EEABRN CCCOCC(=O)Nc1ncc(I)cc1C ZINC000075407514 462716390 /nfs/dbraw/zinc/71/63/90/462716390.db2.gz KLPORYTZFXVXDX-UHFFFAOYSA-N 0 0 334.157 2.360 40 0 EEABRN CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000007070243 462720815 /nfs/dbraw/zinc/72/08/15/462720815.db2.gz GBKVAXWFETYRMO-CQSZACIVSA-N 0 0 340.489 2.468 40 0 EEABRN CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000007077065 462720918 /nfs/dbraw/zinc/72/09/18/462720918.db2.gz GBKVAXWFETYRMO-AWEZNQCLSA-N 0 0 340.489 2.468 40 0 EEABRN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000007306308 462729078 /nfs/dbraw/zinc/72/90/78/462729078.db2.gz UAOMCQZQAZSJOS-INIZCTEOSA-N 0 0 347.392 2.124 40 0 EEABRN COC(=O)CN1C(=O)/C(=C/c2cccc3ccccc23)N(C)C1=S ZINC000008091452 462765860 /nfs/dbraw/zinc/76/58/60/462765860.db2.gz WWUVTCJFYPLNAE-GDNBJRDFSA-N 0 0 340.404 2.413 40 0 EEABRN COc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccco1)OCO2 ZINC000008114018 462766656 /nfs/dbraw/zinc/76/66/56/462766656.db2.gz HOUPFHWYDPZCPJ-LFYBBSHMSA-N 0 0 326.308 2.240 40 0 EEABRN Cc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(C)n1C ZINC000008334146 462780429 /nfs/dbraw/zinc/78/04/29/462780429.db2.gz ZNPREFJIYGCXIK-AUWJEWJLSA-N 0 0 349.456 2.450 40 0 EEABRN C=Cn1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000010119685 462813275 /nfs/dbraw/zinc/81/32/75/462813275.db2.gz KQDAHOADEJTLCU-ZETCQYMHSA-N 0 0 328.159 2.486 40 0 EEABRN O=c1[nH]nc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1cccs1 ZINC000010297581 462816413 /nfs/dbraw/zinc/81/64/13/462816413.db2.gz CEMXKMZMCGIUQB-GFCCVEGCSA-N 0 0 339.340 2.185 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010336699 462817074 /nfs/dbraw/zinc/81/70/74/462817074.db2.gz PLBULPZACYLUNC-ZIAGYGMSSA-N 0 0 326.462 2.373 40 0 EEABRN COC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048007540 462848128 /nfs/dbraw/zinc/84/81/28/462848128.db2.gz IRTPLMHXGWBWAZ-MELADBBJSA-N 0 0 349.431 2.092 40 0 EEABRN C[C@H](NC(=O)N1CCO[C@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000076486403 462867132 /nfs/dbraw/zinc/86/71/32/462867132.db2.gz MFQNYGAXRUNZDA-MNOVXSKESA-N 0 0 334.351 2.367 40 0 EEABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1 ZINC000013582801 462895837 /nfs/dbraw/zinc/89/58/37/462895837.db2.gz OLDMIYZPYRJZHW-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN CC[C@H](C(=O)NCC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712946 462900825 /nfs/dbraw/zinc/90/08/25/462900825.db2.gz YWEFYXWEOHDYGG-OAHLLOKOSA-N 0 0 326.462 2.312 40 0 EEABRN Cc1ccc([C@H](C)N2CCN(C(=O)COC[C@@H]3CCCO3)CC2)cc1 ZINC000013996213 462907990 /nfs/dbraw/zinc/90/79/90/462907990.db2.gz BNTMZUOFRLEBAI-HKUYNNGSSA-N 0 0 346.471 2.396 40 0 EEABRN O=C(NCC[C@@H](O)c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077111301 462940624 /nfs/dbraw/zinc/94/06/24/462940624.db2.gz FECBCIULTNLHAA-SWLSCSKDSA-N 0 0 346.358 2.012 40 0 EEABRN O=C(Nc1ccccc1Cl)[C@@H]1C=C([O-])NC(N2CCCCC2)=[NH+]1 ZINC000017070554 462994970 /nfs/dbraw/zinc/99/49/70/462994970.db2.gz HFNSEZZDQONOBO-ZDUSSCGKSA-N 0 0 334.807 2.009 40 0 EEABRN COc1cc(C/N=c2/nc(N(C)C)ss2)cc(OC)c1OC ZINC000017223886 462996914 /nfs/dbraw/zinc/99/69/14/462996914.db2.gz PXBLWQBPIQDXFE-SQFISAMPSA-N 0 0 341.458 2.397 40 0 EEABRN O=C(CCc1ccccc1OC(F)(F)F)N1CCCS1(=O)=O ZINC000067601385 463023640 /nfs/dbraw/zinc/02/36/40/463023640.db2.gz YYUWDCYCGXPFBG-UHFFFAOYSA-N 0 0 337.319 2.080 40 0 EEABRN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000077914142 463071286 /nfs/dbraw/zinc/07/12/86/463071286.db2.gz JRMHOJZFURRIDK-OAHLLOKOSA-N 0 0 344.386 2.355 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1ccc(Cl)s1 ZINC000134848894 463087322 /nfs/dbraw/zinc/08/73/22/463087322.db2.gz BRUWAYXIEBPWLE-WDEREUQCSA-N 0 0 332.853 2.125 40 0 EEABRN COc1ccc([C@H](N)c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095533816 463107288 /nfs/dbraw/zinc/10/72/88/463107288.db2.gz UBZMFIGWGWFSLY-HNNXBMFYSA-N 0 0 326.356 2.243 40 0 EEABRN COCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000078470958 463119074 /nfs/dbraw/zinc/11/90/74/463119074.db2.gz VMXVESHQTMJGNY-UHFFFAOYSA-N 0 0 346.452 2.408 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)CCOc1ccccc1)C2 ZINC000096039221 463143690 /nfs/dbraw/zinc/14/36/90/463143690.db2.gz ZINYLGWPEDZWKI-PKOBYXMFSA-N 0 0 333.428 2.500 40 0 EEABRN c1ccc(COC[C@]23CCCO[C@@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040237 463145685 /nfs/dbraw/zinc/14/56/85/463145685.db2.gz DISSBQIFALOJLC-IEBWSBKVSA-N 0 0 340.427 2.464 40 0 EEABRN Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039831 463145697 /nfs/dbraw/zinc/14/56/97/463145697.db2.gz GYEPSXHPOPOMNQ-WMZOPIPTSA-N 0 0 334.416 2.421 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042168 463146129 /nfs/dbraw/zinc/14/61/29/463146129.db2.gz QFNZDQIJMNLTSC-YESZJQIVSA-N 0 0 328.368 2.263 40 0 EEABRN Cc1ccoc1C(=O)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042128 463146271 /nfs/dbraw/zinc/14/62/71/463146271.db2.gz AHHUTWNUSSCDPP-YQQAZPJKSA-N 0 0 328.368 2.434 40 0 EEABRN Cc1nc(C)n(C[C@H]2Cn3ccnc3CN(Cc3ccoc3)C2)n1 ZINC000096067145 463164934 /nfs/dbraw/zinc/16/49/34/463164934.db2.gz JXAYHVDAQFGLRX-MRXNPFEDSA-N 0 0 326.404 2.017 40 0 EEABRN O=C(Cc1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC000096083493 463170841 /nfs/dbraw/zinc/17/08/41/463170841.db2.gz KRCRUIODXFJPTG-IYBDPMFKSA-N 0 0 342.370 2.477 40 0 EEABRN Cc1c(CNC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)cnn1C ZINC000096101251 463173449 /nfs/dbraw/zinc/17/34/49/463173449.db2.gz MGDRBPHONHQPMU-UHFFFAOYSA-N 0 0 342.447 2.172 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)on1 ZINC000096107391 463175705 /nfs/dbraw/zinc/17/57/05/463175705.db2.gz ILODKZRZILOIDS-KDOFPFPSSA-N 0 0 343.383 2.221 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ncccn3)CC[C@H]2OC)cc1 ZINC000096110283 463178804 /nfs/dbraw/zinc/17/88/04/463178804.db2.gz VFDRHELHIGHYKA-DOTOQJQBSA-N 0 0 341.411 2.205 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158338 463188837 /nfs/dbraw/zinc/18/88/37/463188837.db2.gz CDGJJYSNXFUSBN-SFHVURJKSA-N 0 0 341.390 2.143 40 0 EEABRN Cc1nc(CO[C@H]2CN(Cc3c(C)noc3C)[C@@H]3COC[C@H]23)cs1 ZINC000096185085 463196424 /nfs/dbraw/zinc/19/64/24/463196424.db2.gz XSLLAHGUTVCQKL-BBWFWOEESA-N 0 0 349.456 2.472 40 0 EEABRN O=C(c1cscn1)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096187213 463199170 /nfs/dbraw/zinc/19/91/70/463199170.db2.gz RPTNLMQPQIKWHH-RDBSUJKOSA-N 0 0 349.387 2.128 40 0 EEABRN O=C(C1CC=CC1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1 ZINC000096189144 463199810 /nfs/dbraw/zinc/19/98/10/463199810.db2.gz CODMTIOMKSJDAE-HNNXBMFYSA-N 0 0 338.411 2.282 40 0 EEABRN O=C([O-])c1c2c(cnc1-c1cccnc1)C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096189258 463200316 /nfs/dbraw/zinc/20/03/16/463200316.db2.gz BNGGNBOEMWLBSH-ZDUSSCGKSA-N 0 0 339.395 2.236 40 0 EEABRN O=C(CC1CC1)N1Cc2ccnn2C[C@H](COCc2ccccn2)C1 ZINC000096189183 463200333 /nfs/dbraw/zinc/20/03/33/463200333.db2.gz RNOQFSLRZVRARH-MRXNPFEDSA-N 0 0 340.427 2.253 40 0 EEABRN Cc1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)cc1C ZINC000096197303 463202833 /nfs/dbraw/zinc/20/28/33/463202833.db2.gz MRNYVEGUTFMRKJ-UHFFFAOYSA-N 0 0 340.471 2.348 40 0 EEABRN Cc1noc(C)c1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC000096197257 463203270 /nfs/dbraw/zinc/20/32/70/463203270.db2.gz MUJXKUPKOQKSJV-UHFFFAOYSA-N 0 0 329.448 2.490 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096198069 463203671 /nfs/dbraw/zinc/20/36/71/463203671.db2.gz QYZALIVLOKVEOL-HNNXBMFYSA-N 0 0 349.456 2.146 40 0 EEABRN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2ccoc2)cn1 ZINC000096200261 463205474 /nfs/dbraw/zinc/20/54/74/463205474.db2.gz HGCDMIZUACTRIL-DLBZAZTESA-N 0 0 329.400 2.266 40 0 EEABRN CCOC[C@@H]1Cn2cncc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096206921 463210463 /nfs/dbraw/zinc/21/04/63/463210463.db2.gz PPHLLIOUAPFUNY-HNNXBMFYSA-N 0 0 329.400 2.280 40 0 EEABRN O=C(C1=CCCC1)N1CC[C@@H](OCc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096215679 463214092 /nfs/dbraw/zinc/21/40/92/463214092.db2.gz FIXWOZMOBSDZOV-KSZLIROESA-N 0 0 328.412 2.467 40 0 EEABRN CCO[C@H]1CO[C@]2(C1)CCCN(C(=O)COc1ccccc1OC)C2 ZINC000096209475 463214156 /nfs/dbraw/zinc/21/41/56/463214156.db2.gz YZFGAMFMOWYYFT-BEFAXECRSA-N 0 0 349.427 2.261 40 0 EEABRN O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC000096219000 463216957 /nfs/dbraw/zinc/21/69/57/463216957.db2.gz XFZYYRJTRSDVFN-OAHLLOKOSA-N 0 0 329.400 2.104 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222506 463218819 /nfs/dbraw/zinc/21/88/19/463218819.db2.gz RSILPRNWDAOVQI-WBVHZDCISA-N 0 0 330.363 2.218 40 0 EEABRN CCOc1ccccc1C(=O)NCCn1cc(Br)cn1 ZINC000028242779 463220647 /nfs/dbraw/zinc/22/06/47/463220647.db2.gz BKCVLPYSCPNDSF-UHFFFAOYSA-N 0 0 338.205 2.474 40 0 EEABRN O=C(N1CCCC1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238712 463223956 /nfs/dbraw/zinc/22/39/56/463223956.db2.gz AOFSGOKUKBKGFH-GOSISDBHSA-N 0 0 331.391 2.470 40 0 EEABRN COc1ccc(N2C[C@]3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1 ZINC000096238988 463224572 /nfs/dbraw/zinc/22/45/72/463224572.db2.gz ICWSHNRKKFRFBR-LJQANCHMSA-N 0 0 328.412 2.451 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccccc2)CC12CCOCC2 ZINC000096240767 463225402 /nfs/dbraw/zinc/22/54/02/463225402.db2.gz BMTKZMIJEWNPFO-INIZCTEOSA-N 0 0 330.428 2.080 40 0 EEABRN COCC(=O)N1CCc2ncnc(Nc3ccc(C)cc3)c2CC1 ZINC000096255830 463228323 /nfs/dbraw/zinc/22/83/23/463228323.db2.gz UTRJHRHQZPVXQN-UHFFFAOYSA-N 0 0 326.400 2.102 40 0 EEABRN O=C(Nc1ccc(F)cc1)N1CCn2nnc(COCC3CC3)c2C1 ZINC000096255976 463228871 /nfs/dbraw/zinc/22/88/71/463228871.db2.gz RYYVXZPTQVTUSR-UHFFFAOYSA-N 0 0 345.378 2.392 40 0 EEABRN COCCNC(=O)[C@H]1C[C@@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096262497 463230896 /nfs/dbraw/zinc/23/08/96/463230896.db2.gz NIJZCFHMUDVGGV-QUCCMNQESA-N 0 0 346.471 2.342 40 0 EEABRN C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccn1 ZINC000096402241 463237113 /nfs/dbraw/zinc/23/71/13/463237113.db2.gz OEMOMOFGTCHJPF-AWEZNQCLSA-N 0 0 339.395 2.465 40 0 EEABRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nc(N)nc(N(C)C)n1 ZINC000096413239 463246238 /nfs/dbraw/zinc/24/62/38/463246238.db2.gz WYFOYDNJILVPNN-DGCLKSJQSA-N 0 0 330.411 2.037 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000096414421 463246971 /nfs/dbraw/zinc/24/69/71/463246971.db2.gz BGWNZTFRJLPUNY-ZYHUDNBSSA-N 0 0 328.334 2.218 40 0 EEABRN Cc1ncsc1CN(C)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000096414436 463247486 /nfs/dbraw/zinc/24/74/86/463247486.db2.gz DTFVMGMKDUZAID-UHFFFAOYSA-N 0 0 348.403 2.392 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000096416004 463248161 /nfs/dbraw/zinc/24/81/61/463248161.db2.gz MPLFEQMIGVREOY-OAHLLOKOSA-N 0 0 334.464 2.233 40 0 EEABRN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000096416062 463248199 /nfs/dbraw/zinc/24/81/99/463248199.db2.gz UYFNENRGGQOSTE-KBPBESRZSA-N 0 0 340.445 2.402 40 0 EEABRN O=C(CCc1nc(C2CC2)no1)N1CCCN(c2nccs2)CC1 ZINC000096416936 463249601 /nfs/dbraw/zinc/24/96/01/463249601.db2.gz NVOYFUJHPVIPEP-UHFFFAOYSA-N 0 0 347.444 2.075 40 0 EEABRN C[C@H](Oc1cccc(Br)c1)C(=O)NCc1nccn1C ZINC000096426403 463256168 /nfs/dbraw/zinc/25/61/68/463256168.db2.gz UKRBPRZGLIERMU-JTQLQIEISA-N 0 0 338.205 2.266 40 0 EEABRN CCc1ccc(CNC(=O)CNc2ccc3oc(=O)n(C)c3c2)s1 ZINC000096427496 463257443 /nfs/dbraw/zinc/25/74/43/463257443.db2.gz HKZRUKGBWPZQSC-UHFFFAOYSA-N 0 0 345.424 2.484 40 0 EEABRN O=C(Nc1cccnc1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000096434101 463262041 /nfs/dbraw/zinc/26/20/41/463262041.db2.gz QOIXDELXQSTBLO-ZACQAIPSSA-N 0 0 336.395 2.360 40 0 EEABRN O=C(NCCN1CCOCC1)Nc1ccc(Br)c(F)c1 ZINC000096435443 463263883 /nfs/dbraw/zinc/26/38/83/463263883.db2.gz FELCDODFGAFPJI-UHFFFAOYSA-N 0 0 346.200 2.042 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)on1 ZINC000096440753 463267516 /nfs/dbraw/zinc/26/75/16/463267516.db2.gz SYNXRTRFZNYNTM-MRXNPFEDSA-N 0 0 342.399 2.150 40 0 EEABRN CO[C@@H]1CCCC[C@@H]1NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000096440359 463267575 /nfs/dbraw/zinc/26/75/75/463267575.db2.gz NPLWZLRXCCCXNF-PXAQALGRSA-N 0 0 338.473 2.192 40 0 EEABRN O=C(NC[C@]1(O)CCSC1)c1ccc(F)cc1Br ZINC000096446910 463270759 /nfs/dbraw/zinc/27/07/59/463270759.db2.gz AHOROSNRLXHYFG-GFCCVEGCSA-N 0 0 334.210 2.186 40 0 EEABRN C[S@](=O)C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000096449709 463271981 /nfs/dbraw/zinc/27/19/81/463271981.db2.gz GWNGCYFXZGKASZ-WAIKUNEKSA-N 0 0 327.409 2.413 40 0 EEABRN Cc1ccc([C@H]2CN(CCS(=O)(=O)C(C)C)CCO2)c(C)c1 ZINC000096455311 463275296 /nfs/dbraw/zinc/27/52/96/463275296.db2.gz PBHUUIFALXQTMS-QGZVFWFLSA-N 0 0 325.474 2.500 40 0 EEABRN Cn1cccc1[C@H]1CCCN1C(=O)CCOc1ccccc1C(N)=O ZINC000096455523 463275588 /nfs/dbraw/zinc/27/55/88/463275588.db2.gz OPFYUQDZCUFLFB-MRXNPFEDSA-N 0 0 341.411 2.257 40 0 EEABRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000096456486 463276555 /nfs/dbraw/zinc/27/65/55/463276555.db2.gz FUKBEPNTLYDHMA-ONGXEEELSA-N 0 0 348.790 2.046 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)[C@@H]2CCCN2c2nccs2)c(C)o1 ZINC000096459292 463276619 /nfs/dbraw/zinc/27/66/19/463276619.db2.gz GTLXEFAOCACHSK-YOEHRIQHSA-N 0 0 349.456 2.346 40 0 EEABRN COC(=O)c1ccc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)s1 ZINC000096466205 463277965 /nfs/dbraw/zinc/27/79/65/463277965.db2.gz JDQHBDJLWLKIBX-CQSZACIVSA-N 0 0 336.388 2.332 40 0 EEABRN Clc1cnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469777 463278314 /nfs/dbraw/zinc/27/83/14/463278314.db2.gz XKSHHNVKVJFNCU-JKSUJKDBSA-N 0 0 330.819 2.220 40 0 EEABRN Nc1nccnc1C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000096475415 463279856 /nfs/dbraw/zinc/27/98/56/463279856.db2.gz WOPNBGJWFCNWSE-UHFFFAOYSA-N 0 0 326.400 2.006 40 0 EEABRN CC(C)[C@@H](C)S(=O)(=O)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000096475686 463280599 /nfs/dbraw/zinc/28/05/99/463280599.db2.gz WURJRPNZLUWCGE-VXGBXAGGSA-N 0 0 347.427 2.471 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](c1ccccn1)C1CCCC1 ZINC000096484189 463282447 /nfs/dbraw/zinc/28/24/47/463282447.db2.gz BWNHUDDVGSCMSN-HZPDHXFCSA-N 0 0 330.432 2.233 40 0 EEABRN CCc1cc(CNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)on1 ZINC000096494000 463287998 /nfs/dbraw/zinc/28/79/98/463287998.db2.gz SELKCUFGXRXVAO-KRWDZBQOSA-N 0 0 329.400 2.390 40 0 EEABRN C[C@](O)(CNC(=O)NC[C@]1(C)CCCO1)c1ccccc1Cl ZINC000096503173 463292310 /nfs/dbraw/zinc/29/23/10/463292310.db2.gz FRIAGHRSTLPLOG-HOTGVXAUSA-N 0 0 326.824 2.416 40 0 EEABRN COc1cc(Br)ccc1CCCN1CCO[C@H](CO)C1 ZINC000096501997 463292696 /nfs/dbraw/zinc/29/26/96/463292696.db2.gz YBGDEDLLHZSUEH-AWEZNQCLSA-N 0 0 344.249 2.083 40 0 EEABRN CN(C(=O)CNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)CCO2 ZINC000097095629 463321691 /nfs/dbraw/zinc/32/16/91/463321691.db2.gz NFAYBISOSIITTH-UHFFFAOYSA-N 0 0 346.333 2.293 40 0 EEABRN O=S(=O)(N[C@H]1CCOc2ccccc21)c1cccc2nsnc21 ZINC000069822376 463334195 /nfs/dbraw/zinc/33/41/95/463334195.db2.gz FWFSDLLPURROBJ-NSHDSACASA-N 0 0 347.421 2.493 40 0 EEABRN CC(=O)N1CCC(CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000097234245 463352717 /nfs/dbraw/zinc/35/27/17/463352717.db2.gz LGHDXLJRSSYFSW-KRWDZBQOSA-N 0 0 347.463 2.295 40 0 EEABRN C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000097234444 463352863 /nfs/dbraw/zinc/35/28/63/463352863.db2.gz FKXGBEQOESQGSR-BFHYXJOUSA-N 0 0 333.436 2.028 40 0 EEABRN CCn1nc(C)c(CCC(=O)NCCCn2nc(C)cc2C)c1C ZINC000071195394 463411129 /nfs/dbraw/zinc/41/11/29/463411129.db2.gz RRMCAQGTBFKZFE-UHFFFAOYSA-N 0 0 331.464 2.472 40 0 EEABRN O=C(CCC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1ccccc1 ZINC000081293998 463414420 /nfs/dbraw/zinc/41/44/20/463414420.db2.gz SXKCSFXXSQEUOE-QGZVFWFLSA-N 0 0 342.420 2.411 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000081303675 463418223 /nfs/dbraw/zinc/41/82/23/463418223.db2.gz UTIDUUGJPRCEJW-UHFFFAOYSA-N 0 0 335.433 2.058 40 0 EEABRN CCn1ccc2nc3nc(C)nn3c(-c3cccc(OC)c3)c2c1=O ZINC000040398473 463455905 /nfs/dbraw/zinc/45/59/05/463455905.db2.gz GSGHMAIWHLDFFX-UHFFFAOYSA-N 0 0 335.367 2.443 40 0 EEABRN CCCc1noc([C@@H]2CCCCN2C(=O)CCc2cnn(C)c2)n1 ZINC000041123324 463468650 /nfs/dbraw/zinc/46/86/50/463468650.db2.gz OQNYBCMZRPJSHG-AWEZNQCLSA-N 0 0 331.420 2.442 40 0 EEABRN CCc1ocnc1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000081668004 463478916 /nfs/dbraw/zinc/47/89/16/463478916.db2.gz VEMAIPOLHPWDTA-UHFFFAOYSA-N 0 0 335.448 2.250 40 0 EEABRN CCOC(=O)CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000058155769 463543886 /nfs/dbraw/zinc/54/38/86/463543886.db2.gz QRHGEIKCRDEIDW-UHFFFAOYSA-N 0 0 347.459 2.499 40 0 EEABRN O=C(CC1CCCCC1)NC1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000084338721 463595237 /nfs/dbraw/zinc/59/52/37/463595237.db2.gz SJMRHWPESODTCO-UHFFFAOYSA-N 0 0 348.443 2.396 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108531549 463610506 /nfs/dbraw/zinc/61/05/06/463610506.db2.gz IZQAOADKGMJATQ-RDJZCZTQSA-N 0 0 341.455 2.469 40 0 EEABRN COCCN1CC2(CC1=O)CCN(C(=O)c1ccccc1C)CC2 ZINC000108534417 463611918 /nfs/dbraw/zinc/61/19/18/463611918.db2.gz IQWICYNDIZBOTD-UHFFFAOYSA-N 0 0 330.428 2.096 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCCSC(C)(C)C)cc1 ZINC000044903545 463700286 /nfs/dbraw/zinc/70/02/86/463700286.db2.gz JNVZDOVZNMUTPP-UHFFFAOYSA-N 0 0 345.486 2.424 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257278618 463757913 /nfs/dbraw/zinc/75/79/13/463757913.db2.gz OCYFRPDYXQHNOQ-KRWDZBQOSA-N 0 0 327.384 2.154 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257283188 463761134 /nfs/dbraw/zinc/76/11/34/463761134.db2.gz OXDDCNZDNZLREH-OAHLLOKOSA-N 0 0 332.448 2.291 40 0 EEABRN O=C(c1cccnn1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257289379 463764624 /nfs/dbraw/zinc/76/46/24/463764624.db2.gz PYIUXRHSRWAKBM-HKUYNNGSSA-N 0 0 339.395 2.067 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294915 463765770 /nfs/dbraw/zinc/76/57/70/463765770.db2.gz QWGYZPIHWTYCOR-OAHLLOKOSA-N 0 0 333.457 2.122 40 0 EEABRN CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccsc1 ZINC000257293892 463766340 /nfs/dbraw/zinc/76/63/40/463766340.db2.gz QRQBEBSFZBVILX-QGZVFWFLSA-N 0 0 331.441 2.247 40 0 EEABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](Cc2ccc(C)nc2)C1 ZINC000257314916 463774770 /nfs/dbraw/zinc/77/47/70/463774770.db2.gz UZDLCLMPUYBENU-MRXNPFEDSA-N 0 0 348.472 2.075 40 0 EEABRN CNC(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)C2)nc(C)n1 ZINC000257319571 463776482 /nfs/dbraw/zinc/77/64/82/463776482.db2.gz VTBQMHMXIPXVJN-CYBMUJFWSA-N 0 0 345.472 2.056 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CC(Cc2nccc3ccn(C)c32)C1 ZINC000257321470 463776797 /nfs/dbraw/zinc/77/67/97/463776797.db2.gz WBVIEHWWQYFLTB-UHFFFAOYSA-N 0 0 338.411 2.422 40 0 EEABRN O=S(=O)(NCc1cnc([C@@H]2CCCCO2)nc1)c1cccs1 ZINC000257338277 463784573 /nfs/dbraw/zinc/78/45/73/463784573.db2.gz YWSHYGBRWGLBBG-LBPRGKRZSA-N 0 0 339.442 2.258 40 0 EEABRN Cn1ccnc1-c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)C2)ncn1 ZINC000257342032 463785330 /nfs/dbraw/zinc/78/53/30/463785330.db2.gz ZMUMUSRSBQVDEP-AWEZNQCLSA-N 0 0 339.443 2.458 40 0 EEABRN Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 ZINC000260723338 463791762 /nfs/dbraw/zinc/79/17/62/463791762.db2.gz XTRFYDKKJQXXEO-JSGCOSHPSA-N 0 0 349.504 2.487 40 0 EEABRN Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c(C)c1 ZINC000260903985 463792972 /nfs/dbraw/zinc/79/29/72/463792972.db2.gz ZKFSQVXDBKSMOR-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000278863312 464003044 /nfs/dbraw/zinc/00/30/44/464003044.db2.gz MEFGWMIVBYJODN-LBPRGKRZSA-N 0 0 333.335 2.310 40 0 EEABRN C[C@@H](C(=O)Nc1cc2c(cc1Br)CCC2)S(C)(=O)=O ZINC000195208713 464018174 /nfs/dbraw/zinc/01/81/74/464018174.db2.gz KXDPWKMIYSIPGE-QMMMGPOBSA-N 0 0 346.246 2.309 40 0 EEABRN O=C(CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)Nc1cccnc1 ZINC000195407868 464050158 /nfs/dbraw/zinc/05/01/58/464050158.db2.gz PWAWUIPDXCVYNB-LBPRGKRZSA-N 0 0 345.786 2.041 40 0 EEABRN Cc1cc(F)c(S(=O)(=O)NCc2nc(C3CC3)no2)cc1F ZINC000195540256 464073548 /nfs/dbraw/zinc/07/35/48/464073548.db2.gz WTBFQYSOAMJSHZ-UHFFFAOYSA-N 0 0 329.328 2.012 40 0 EEABRN O=C(NC[C@@H]1CC[C@H](O)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000195578256 464080798 /nfs/dbraw/zinc/08/07/98/464080798.db2.gz NUBICWYVZPPSCM-PBHICJAKSA-N 0 0 349.450 2.250 40 0 EEABRN COc1ccccc1C1=NO[C@](C)(C(=O)NCc2cccnc2)C1 ZINC000222284708 464129357 /nfs/dbraw/zinc/12/93/57/464129357.db2.gz KKEFPDHLNKEVGC-SFHVURJKSA-N 0 0 325.368 2.290 40 0 EEABRN CN([C@@H](C(=O)N1CCc2ccccc21)c1ccccc1)S(C)(=O)=O ZINC000222555136 464131464 /nfs/dbraw/zinc/13/14/64/464131464.db2.gz SCRHNTKRUILHRD-QGZVFWFLSA-N 0 0 344.436 2.208 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225191506 464154825 /nfs/dbraw/zinc/15/48/25/464154825.db2.gz ZTBXDNUYPOVSGS-LLVKDONJSA-N 0 0 332.853 2.267 40 0 EEABRN CN(C)c1ccc(O[C@H]2CCN(C(=O)CC3CCCCC3)C2)nn1 ZINC000225444008 464160570 /nfs/dbraw/zinc/16/05/70/464160570.db2.gz KIPLVJNJQKICOL-HNNXBMFYSA-N 0 0 332.448 2.493 40 0 EEABRN Cc1ccc2c(CCNC(=O)N3CCC[C@H](CO)C3)cn(C)c2c1 ZINC000187809656 464163779 /nfs/dbraw/zinc/16/37/79/464163779.db2.gz OITLWZLFIVAUEH-HNNXBMFYSA-N 0 0 329.444 2.443 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000225495771 464166761 /nfs/dbraw/zinc/16/67/61/464166761.db2.gz CLEHKICVEQZHMF-CYBMUJFWSA-N 0 0 333.413 2.159 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000225526497 464169932 /nfs/dbraw/zinc/16/99/32/464169932.db2.gz JSXCRQAPFLSLIP-FZMZJTMJSA-N 0 0 329.400 2.476 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000173507026 464273323 /nfs/dbraw/zinc/27/33/23/464273323.db2.gz AVYMRWDJSZUYFF-DOMZBBRYSA-N 0 0 344.463 2.280 40 0 EEABRN C[C@H](c1ccccc1)[C@H](C)NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000280980460 464286839 /nfs/dbraw/zinc/28/68/39/464286839.db2.gz UITMQZVESMYADY-KBPBESRZSA-N 0 0 338.473 2.445 40 0 EEABRN O=C(NCCCc1nnc[nH]1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000284899163 464383962 /nfs/dbraw/zinc/38/39/62/464383962.db2.gz OLEFGXVOIMFNCX-OAHLLOKOSA-N 0 0 345.403 2.117 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000240423843 464446869 /nfs/dbraw/zinc/44/68/69/464446869.db2.gz FRJYCLAQBYUTCT-AMVTXUCVSA-N 0 0 331.412 2.253 40 0 EEABRN C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000240886262 464449553 /nfs/dbraw/zinc/44/95/53/464449553.db2.gz IOHXIXPZILMUDA-SFDCACGMSA-N 0 0 331.441 2.170 40 0 EEABRN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000285086684 464449993 /nfs/dbraw/zinc/44/99/93/464449993.db2.gz PKHWEUZLTKYWCI-RYUDHWBXSA-N 0 0 347.502 2.470 40 0 EEABRN COc1cccc(/C=C\C(=O)NCc2nc(-c3cc(C)on3)no2)c1 ZINC000244998613 464466889 /nfs/dbraw/zinc/46/68/89/464466889.db2.gz KMDHTICXFMDXRV-UHFFFAOYSA-N 0 0 340.339 2.371 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000245228408 464469065 /nfs/dbraw/zinc/46/90/65/464469065.db2.gz VVZRFMPUMLJMEX-XJKCOSOUSA-N 0 0 333.384 2.065 40 0 EEABRN CC[C@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)c1c(C)noc1C ZINC000189684992 464539243 /nfs/dbraw/zinc/53/92/43/464539243.db2.gz RKZNRIXBQNVCSG-CABZTGNLSA-N 0 0 333.396 2.124 40 0 EEABRN COc1ccccc1CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000182306471 464624686 /nfs/dbraw/zinc/62/46/86/464624686.db2.gz HGKJLQIVJDAMKZ-INIZCTEOSA-N 0 0 342.395 2.230 40 0 EEABRN COc1cc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)ccc1F ZINC000190429872 464642739 /nfs/dbraw/zinc/64/27/39/464642739.db2.gz COLBMIJPVJWEDU-ZDUSSCGKSA-N 0 0 337.395 2.020 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247421377 464678406 /nfs/dbraw/zinc/67/84/06/464678406.db2.gz ZABYLOCZYNZWMY-ZIAGYGMSSA-N 0 0 331.434 2.029 40 0 EEABRN O=C(CO[C@H]1Cn2cccc2CN(Cc2ccco2)C1)N1CCCC1 ZINC000247741241 464705307 /nfs/dbraw/zinc/70/53/07/464705307.db2.gz OMNGAAFGQRZBCP-GOSISDBHSA-N 0 0 343.427 2.105 40 0 EEABRN COc1ncccc1CN1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000247827274 464709687 /nfs/dbraw/zinc/70/96/87/464709687.db2.gz GFQGRKAWOGUBRX-MRXNPFEDSA-N 0 0 341.411 2.298 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@H](C)[C@H]1CO)c1nc(-c2ccccc2)no1 ZINC000190780142 464719542 /nfs/dbraw/zinc/71/95/42/464719542.db2.gz HLWVFAFCCMPKOG-GZBFAFLISA-N 0 0 344.415 2.252 40 0 EEABRN CCn1cc([C@@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)cn1 ZINC000190809133 464723634 /nfs/dbraw/zinc/72/36/34/464723634.db2.gz ORNXKSXQUFMNCC-AWEZNQCLSA-N 0 0 329.360 2.120 40 0 EEABRN COc1ncccc1CN1Cc2cccn2C[C@@H](C(=O)NC(C)C)C1 ZINC000248033278 464725573 /nfs/dbraw/zinc/72/55/73/464725573.db2.gz YHLGSPCDLQZFSC-INIZCTEOSA-N 0 0 342.443 2.048 40 0 EEABRN Cn1cccc1C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000248109386 464731424 /nfs/dbraw/zinc/73/14/24/464731424.db2.gz GRUFPHKSKWCWSD-MRXNPFEDSA-N 0 0 341.459 2.199 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@@H]1C ZINC000190952915 464749931 /nfs/dbraw/zinc/74/99/31/464749931.db2.gz NUNZBGYLEBETRT-SMDDNHRTSA-N 0 0 340.370 2.348 40 0 EEABRN C[C@@H](c1nnnn1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000192061626 464858406 /nfs/dbraw/zinc/85/84/06/464858406.db2.gz CIOZFQXCPYEKNL-XJKSGUPXSA-N 0 0 335.452 2.119 40 0 EEABRN O=C([C@H]1CCCOC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000252496579 464968985 /nfs/dbraw/zinc/96/89/85/464968985.db2.gz PMBQADZEVCTKFS-HNNXBMFYSA-N 0 0 326.400 2.185 40 0 EEABRN CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@H](OCC)C1 ZINC000253381611 464996011 /nfs/dbraw/zinc/99/60/11/464996011.db2.gz FJRYQXHTFXIFLJ-CYBMUJFWSA-N 0 0 335.429 2.404 40 0 EEABRN COC(=O)[C@H](CNC(=O)Cc1ccc(Cl)cn1)c1ccccc1 ZINC000253415351 465003088 /nfs/dbraw/zinc/00/30/88/465003088.db2.gz KZJVYUAQXLKTTB-OAHLLOKOSA-N 0 0 332.787 2.351 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418309 465006523 /nfs/dbraw/zinc/00/65/23/465006523.db2.gz GEIQWNFGFPQSCJ-WDEREUQCSA-N 0 0 344.337 2.037 40 0 EEABRN COc1ccnc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1OC ZINC000253428832 465012563 /nfs/dbraw/zinc/01/25/63/465012563.db2.gz MDPHZGIWDDKXOR-CQSZACIVSA-N 0 0 332.404 2.012 40 0 EEABRN C[C@@H](CNC(=O)N1Cc2ccccc2C2(CC2)C1)CN1CCOCC1 ZINC000184700265 465020008 /nfs/dbraw/zinc/02/00/08/465020008.db2.gz CSHVIRQIANHTCJ-INIZCTEOSA-N 0 0 343.471 2.212 40 0 EEABRN O=C(N1CCCC1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 ZINC000306142736 466494005 /nfs/dbraw/zinc/49/40/05/466494005.db2.gz XHWMMUDTRWAUSO-JYJNAYRXSA-N 0 0 331.416 2.013 40 0 EEABRN Cc1cc(CN2Cc3ccnn3C[C@H](Oc3ccccn3)C2)no1 ZINC000306139432 466494175 /nfs/dbraw/zinc/49/41/75/466494175.db2.gz SWZAGEJVHYKGTA-MRXNPFEDSA-N 0 0 325.372 2.038 40 0 EEABRN COc1ccccc1OCCn1cc(C(=O)C(N)=O)c2ccccc21 ZINC000408568151 466681311 /nfs/dbraw/zinc/68/13/11/466681311.db2.gz HTWGHHUNLGHMTH-UHFFFAOYSA-N 0 0 338.363 2.397 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408558847 466681346 /nfs/dbraw/zinc/68/13/46/466681346.db2.gz SQYJOEAIIGQMNW-LLVKDONJSA-N 0 0 332.853 2.363 40 0 EEABRN Cc1cc(NC(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)n[nH]1 ZINC000390835641 467414802 /nfs/dbraw/zinc/41/48/02/467414802.db2.gz TUMRYZXHEXNWAB-UHFFFAOYSA-N 0 0 340.391 2.770 40 0 EEABRN COC(=O)[C@@](C)(O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000390835156 467415085 /nfs/dbraw/zinc/41/50/85/467415085.db2.gz FJFYIOCLUQWKGB-LBPRGKRZSA-N 0 0 339.697 2.013 40 0 EEABRN CN1C(=O)c2cccnc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC000514289645 467941995 /nfs/dbraw/zinc/94/19/95/467941995.db2.gz MWLKANGDXKQPKR-CVEARBPZSA-N 0 0 343.814 2.452 40 0 biogenic,in-vitro EEABRN CCOCC(=O)N1CC2(C1)C[C@@H](OCc1csc(C)n1)CS2 ZINC000575402324 468140940 /nfs/dbraw/zinc/14/09/40/468140940.db2.gz ANHFQWLYVUATMH-CYBMUJFWSA-N 0 0 342.486 2.091 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@H](OCc1ccncc1)CS2 ZINC000575403512 468141414 /nfs/dbraw/zinc/14/14/14/468141414.db2.gz MJMGCUYSOBUJGR-NRXISQOPSA-N 0 0 336.432 2.433 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)CC[C@H](CN2CCCC2=O)CO3)c1 ZINC000575404125 468141811 /nfs/dbraw/zinc/14/18/11/468141811.db2.gz PZPXTUIQNAJRBN-MRXNPFEDSA-N 0 0 342.439 2.239 40 0 EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 ZINC000575406274 468142580 /nfs/dbraw/zinc/14/25/80/468142580.db2.gz MZYGCYNCZTUHPW-HNNXBMFYSA-N 0 0 344.415 2.112 40 0 EEABRN O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1ccccc1Cl ZINC000575604985 468146052 /nfs/dbraw/zinc/14/60/52/468146052.db2.gz DYOHQSGGPVWTDX-JTQLQIEISA-N 0 0 343.861 2.354 40 0 EEABRN O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc(Cl)s1 ZINC000575609248 468147475 /nfs/dbraw/zinc/14/74/75/468147475.db2.gz SFTYEXXRWXBNOF-UHFFFAOYSA-N 0 0 337.832 2.267 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(CN3CCCc4ccccc43)n2CC1 ZINC000601044876 468729683 /nfs/dbraw/zinc/72/96/83/468729683.db2.gz SCNGZJMZVRPKMB-HNNXBMFYSA-N 0 0 340.427 2.356 40 0 EEABRN CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000585101190 468968733 /nfs/dbraw/zinc/96/87/33/468968733.db2.gz MHRNNFCJNCDBOL-INIZCTEOSA-N 0 0 336.461 2.121 40 0 EEABRN COc1ccccc1-c1cnc2n1CCN(C(=O)c1ccnnc1)CC2 ZINC000585111238 468974435 /nfs/dbraw/zinc/97/44/35/468974435.db2.gz KPEKRKWGEXTWMW-UHFFFAOYSA-N 0 0 349.394 2.047 40 0 EEABRN COc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)ccn1 ZINC000585275655 468999445 /nfs/dbraw/zinc/99/94/45/468999445.db2.gz FURXIUSUEHSEJJ-IBGZPJMESA-N 0 0 342.395 2.055 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3ccc(C)cn3)C2)cc1 ZINC000585276278 469000429 /nfs/dbraw/zinc/00/04/29/469000429.db2.gz HRJFYLVAUGZABN-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCCN(C(=O)Cc2ccncc2)C1 ZINC000585276384 469000487 /nfs/dbraw/zinc/00/04/87/469000487.db2.gz JEBZQYOULRQRKX-FQEVSTJZSA-N 0 0 340.423 2.365 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276387 469000546 /nfs/dbraw/zinc/00/05/46/469000546.db2.gz JEJRVZWDLIGIJT-SFHVURJKSA-N 0 0 347.390 2.259 40 0 EEABRN Cc1cnn(CCC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)c1 ZINC000585276997 469001989 /nfs/dbraw/zinc/00/19/89/469001989.db2.gz RBUJGTOWGYMNDS-OALUTQOASA-N 0 0 341.455 2.485 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@H](Cc3ccccc3C)[C@H](O)C2)n1 ZINC000585280006 469006075 /nfs/dbraw/zinc/00/60/75/469006075.db2.gz VPOHPWDUABULIG-SJLPKXTDSA-N 0 0 325.412 2.159 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cccnc2N)CC[C@@H]1Cc1ccccc1 ZINC000585279421 469006533 /nfs/dbraw/zinc/00/65/33/469006533.db2.gz LXHRZTZAQYKJGC-NVXWUHKLSA-N 0 0 325.412 2.384 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585281345 469008421 /nfs/dbraw/zinc/00/84/21/469008421.db2.gz WJXWYRHUKNTPBW-MJGOQNOKSA-N 0 0 341.455 2.411 40 0 EEABRN C[C@@]1(C(F)F)CN(C(=O)N[C@H]2COc3ccc(F)cc3C2)CCO1 ZINC000664917617 471897961 /nfs/dbraw/zinc/89/79/61/471897961.db2.gz WPHSEMKKCMBPNZ-WBMJQRKESA-N 0 0 344.333 2.195 40 0 EEABRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1)c1ccccc1 ZINC000253425438 521810687 /nfs/dbraw/zinc/81/06/87/521810687.db2.gz CELNZUXKJGETPJ-MRXNPFEDSA-N 0 0 340.427 2.324 40 0 EEABRN O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000181125815 534603137 /nfs/dbraw/zinc/60/31/37/534603137.db2.gz NGPZRMVERJQOIT-LSDHHAIUSA-N 0 0 348.447 2.375 40 0 EEABRN COC(=O)CN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180480859 523210594 /nfs/dbraw/zinc/21/05/94/523210594.db2.gz XREZCLSAQGLIGL-MRVPVSSYSA-N 0 0 330.178 2.044 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCCC[C@H]2C)ccc1=O ZINC000096413517 523408740 /nfs/dbraw/zinc/40/87/40/523408740.db2.gz AIHJFKDYSPICPW-KGLIPLIRSA-N 0 0 333.432 2.139 40 0 EEABRN O=C(CSCc1ccncc1)NC[C@H](O)c1c(F)cccc1F ZINC000077634572 527028790 /nfs/dbraw/zinc/02/87/90/527028790.db2.gz GIZNALKNOALNSP-AWEZNQCLSA-N 0 0 338.379 2.443 40 0 EEABRN CCCN1CCN(C(=O)c2ccc(=O)n(CC)n2)c2cc(F)ccc21 ZINC000195579243 534925353 /nfs/dbraw/zinc/92/53/53/534925353.db2.gz METFXQRTINVGFW-UHFFFAOYSA-N 0 0 344.390 2.279 40 0 EEABRN CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257214519 535130632 /nfs/dbraw/zinc/13/06/32/535130632.db2.gz CMIGEMQJUIFHAA-IIDMSEBBSA-N 0 0 335.444 2.144 40 0 EEABRN CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)s1)c1cnn(C)c1 ZINC000252489287 536127761 /nfs/dbraw/zinc/12/77/61/536127761.db2.gz JNPWGKVWFZIIMH-LBPRGKRZSA-N 0 0 326.853 2.097 40 0 EEABRN COc1cc(C(F)(F)F)nc(NC(=S)NCc2cccnc2)n1 ZINC000225941690 536550660 /nfs/dbraw/zinc/55/06/60/536550660.db2.gz CVWIBKBRMTTWSD-UHFFFAOYSA-N 0 0 343.334 2.386 40 0 EEABRN COc1ccc([C@H]2CN(Cc3cc(C)on3)CCN2C(C)=O)cc1 ZINC000257243815 536944746 /nfs/dbraw/zinc/94/47/46/536944746.db2.gz IIRDFZGAAXVBKB-GOSISDBHSA-N 0 0 329.400 2.397 40 0 EEABRN COc1cccc(S(=O)(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)c1 ZINC000257212376 537135976 /nfs/dbraw/zinc/13/59/76/537135976.db2.gz CDCPPKQRGLQSTA-AWEZNQCLSA-N 0 0 347.440 2.280 40 0 EEABRN CCc1onc(C)c1CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000931158940 1206611751 /nfs/dbraw/zinc/61/17/51/1206611751.db2.gz UXYWZVXMTVETHN-LBPRGKRZSA-N 0 0 347.419 2.495 40 0 EEABRN O=C(Nc1cc2n(n1)CCCC2)N[C@H]1c2ccccc2CC[C@H]1O ZINC000931399791 1207370178 /nfs/dbraw/zinc/37/01/78/1207370178.db2.gz HSUOFMNTTBHTHC-WBVHZDCISA-N 0 0 326.400 2.389 40 0 EEABRN COc1ccccc1-c1nc2sc(=Cc3ccc(C)o3)c(=O)n2n1 ZINC000254841449 1217571805 /nfs/dbraw/zinc/57/18/05/1217571805.db2.gz VZZOMBZFDKKESX-UHFFFAOYSA-N 0 0 339.376 2.276 40 0 EEABRN CO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000054864732 214258618 /nfs/dbraw/zinc/25/86/18/214258618.db2.gz MSBVUEXGDGSPFR-ZDUSSCGKSA-N 0 0 340.445 2.225 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cnc(-c2ccccc2)nc1 ZINC000056044445 214354368 /nfs/dbraw/zinc/35/43/68/214354368.db2.gz WGTKRDMLOSVHHD-AWEZNQCLSA-N 0 0 340.408 2.109 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000057315127 214418216 /nfs/dbraw/zinc/41/82/16/214418216.db2.gz HTZSLWAURUCXLH-STQMWFEESA-N 0 0 338.835 2.343 40 0 EEABRN Cc1cc(-c2cnc(N3CCC[C@H](O)C3)nc2[C@@H]2CCCO2)on1 ZINC000019123608 539329647 /nfs/dbraw/zinc/32/96/47/539329647.db2.gz ZMTJOFJMUYDZFZ-JSGCOSHPSA-N 0 0 330.388 2.253 40 0 EEABRN CCc1cc(C(=O)OC)c(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004196651 210144068 /nfs/dbraw/zinc/14/40/68/210144068.db2.gz CYHGZIVWKOOGOU-KGOITJQVSA-N 0 0 331.393 2.409 40 0 EEABRN O=C(CN1c2ccccc2OCCC1=O)Nc1nnc(C2CC2)s1 ZINC000044870170 213654824 /nfs/dbraw/zinc/65/48/24/213654824.db2.gz GRYGTTAKNOPSQJ-UHFFFAOYSA-N 0 0 344.396 2.170 40 0 EEABRN O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)N(CCO)CCO ZINC000004974186 304001873 /nfs/dbraw/zinc/00/18/73/304001873.db2.gz UWKZKLONMLKSDP-KRWDZBQOSA-N 0 0 348.830 2.306 40 0 EEABRN CCC(C)(C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000224782436 539658761 /nfs/dbraw/zinc/65/87/61/539658761.db2.gz DWTJCELPWUZVEX-UHFFFAOYSA-N 0 0 346.880 2.406 40 0 EEABRN OCCc1cc(CC2(NCc3cc4ccccc4o3)COC2)no1 ZINC000067897775 215245733 /nfs/dbraw/zinc/24/57/33/215245733.db2.gz RFQHHQRWTSHRNS-UHFFFAOYSA-N 0 0 328.368 2.057 40 0 biogenic,in-vitro EEABRN Cc1cc(C)n(CCNC(=O)[C@]2(C)Sc3ccccc3NC2=O)n1 ZINC000040774308 213385322 /nfs/dbraw/zinc/38/53/22/213385322.db2.gz IMEXZZJNUGJQFU-KRWDZBQOSA-N 0 0 344.440 2.119 40 0 EEABRN Cc1oc(-c2ccccc2)nc1C(=O)NCCN1C[C@H](C)O[C@@H](C)C1 ZINC000040047526 213254646 /nfs/dbraw/zinc/25/46/46/213254646.db2.gz ZRXVDOYCFIHLOY-KBPBESRZSA-N 0 0 343.427 2.489 40 0 EEABRN N=C1NC(=O)/C(=C\c2cc(I)ccc2O)S1 ZINC000005344230 283270531 /nfs/dbraw/zinc/27/05/31/283270531.db2.gz LOBOYYJSUPQRBP-XBXARRHUSA-N 0 0 346.149 2.135 40 0 EEABRN COCCNC(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000070637143 215701162 /nfs/dbraw/zinc/70/11/62/215701162.db2.gz CWFOKCKWZKHDJH-UHFFFAOYSA-N 0 0 336.779 2.145 40 0 EEABRN Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1cccc(C)c1 ZINC000004186466 236889228 /nfs/dbraw/zinc/88/92/28/236889228.db2.gz SITPLOHNIGBDTB-OAHLLOKOSA-N 0 0 346.456 2.271 40 0 EEABRN O=c1c2cnc(N3CCC(O)CC3)[nH]c-2cn1-c1ccc(Cl)cc1 ZINC000072260021 216084642 /nfs/dbraw/zinc/08/46/42/216084642.db2.gz ILLPWZAHCXBOBY-UHFFFAOYSA-N 0 0 344.802 2.252 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072327436 216152326 /nfs/dbraw/zinc/15/23/26/216152326.db2.gz RFSAXLLAMZEYQI-RNRVQEDPSA-N 0 0 334.379 2.010 40 0 EEABRN CCCc1nn(CC(=O)NC(C)C)c(=O)c2cc3ccsc3n21 ZINC000072335262 216155797 /nfs/dbraw/zinc/15/57/97/216155797.db2.gz QRVLOHFAFHZOAZ-UHFFFAOYSA-N 0 0 332.429 2.188 40 0 EEABRN c1cc(-c2cnc(NCCN3CCOCC3)nc2C2CC2)ccn1 ZINC000072340326 216158468 /nfs/dbraw/zinc/15/84/68/216158468.db2.gz QKHIHFJVGIREKL-UHFFFAOYSA-N 0 0 325.416 2.160 40 0 EEABRN CC(C)c1ncc(CN2CCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)cn1 ZINC000072366800 216172213 /nfs/dbraw/zinc/17/22/13/216172213.db2.gz GFKJCJNJCBSUHY-OAHLLOKOSA-N 0 0 342.447 2.362 40 0 EEABRN Cc1cc(N2CCC[C@H](c3nccnc3Nc3ncccn3)C2)ncn1 ZINC000072369015 216176079 /nfs/dbraw/zinc/17/60/79/216176079.db2.gz KNAJKZBULMLPTH-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN COCCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncccn2)n1 ZINC000072383912 216185206 /nfs/dbraw/zinc/18/52/06/216185206.db2.gz DHGVNMQLEKSAEF-ZDUSSCGKSA-N 0 0 342.403 2.019 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(c3ncccn3)C2)n1 ZINC000072382561 216183190 /nfs/dbraw/zinc/18/31/90/216183190.db2.gz UADHZAMHEUIXSW-CYBMUJFWSA-N 0 0 334.387 2.103 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072393869 216192418 /nfs/dbraw/zinc/19/24/18/216192418.db2.gz VPCZNQOAIONDSP-CYBMUJFWSA-N 0 0 339.374 2.441 40 0 EEABRN O=C(CCn1cncn1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000072821191 216311489 /nfs/dbraw/zinc/31/14/89/216311489.db2.gz UKCQYJLVJFLYGB-QGZVFWFLSA-N 0 0 328.416 2.269 40 0 EEABRN CC[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)N1CCCC1=O ZINC000073202867 216363241 /nfs/dbraw/zinc/36/32/41/216363241.db2.gz TWLDSLQDJLSNJC-AWEZNQCLSA-N 0 0 327.388 2.120 40 0 EEABRN CC[C@H](NC(=O)CSc1n[nH]c(C)n1)c1nc2ccccc2[nH]1 ZINC000073308951 216376614 /nfs/dbraw/zinc/37/66/14/216376614.db2.gz CHURINFKFMKWAQ-JTQLQIEISA-N 0 0 330.417 2.349 40 0 EEABRN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1 ZINC000195547425 240996907 /nfs/dbraw/zinc/99/69/07/240996907.db2.gz ALSNVFWFNYBUHW-YVLXSGLVSA-N 0 0 334.397 2.054 40 0 EEABRN O=C(CN1CCOC1=O)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219129592 241367011 /nfs/dbraw/zinc/36/70/11/241367011.db2.gz UFXBUFPUMXRPPQ-AWEZNQCLSA-N 0 0 338.404 2.285 40 0 EEABRN Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225223919 241812400 /nfs/dbraw/zinc/81/24/00/241812400.db2.gz IHKVTHXTVJYMSA-KBPBESRZSA-N 0 0 326.462 2.310 40 0 EEABRN C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCOCC1 ZINC000225434522 241860988 /nfs/dbraw/zinc/86/09/88/241860988.db2.gz BXWMAAASXVYQIB-JTQLQIEISA-N 0 0 334.347 2.443 40 0 biogenic,in-vitro EEABRN Cc1nc(SCCNC(=O)c2cc(-c3ccc(F)cc3)on2)n[nH]1 ZINC000225900334 242073237 /nfs/dbraw/zinc/07/32/37/242073237.db2.gz YJKFVSUONXUJNF-UHFFFAOYSA-N 0 0 347.375 2.429 40 0 EEABRN CCCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947421 242079254 /nfs/dbraw/zinc/07/92/54/242079254.db2.gz DXEZVWLQGUWAAV-AWEZNQCLSA-N 0 0 330.425 2.113 40 0 EEABRN CC(C)C1CCC(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000225745512 242014159 /nfs/dbraw/zinc/01/41/59/242014159.db2.gz IULJILTWLSRTPE-YMAMQOFZSA-N 0 0 330.494 2.277 40 0 EEABRN Cc1cc(NC(=O)CN2CCSC[C@H]2c2ccc(C)o2)n(C)n1 ZINC000076011390 216680788 /nfs/dbraw/zinc/68/07/88/216680788.db2.gz OBHHLXWOFGSNFL-ZDUSSCGKSA-N 0 0 334.445 2.359 40 0 EEABRN Cc1nc(C2CC2)oc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000253420346 243955574 /nfs/dbraw/zinc/95/55/74/243955574.db2.gz WLBGYHMZSRSRRM-ZDUSSCGKSA-N 0 0 327.388 2.049 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@H](c3cnccn3)C2)n1 ZINC000257201412 244120619 /nfs/dbraw/zinc/12/06/19/244120619.db2.gz AHQCNPSCHIHUJY-ZDUSSCGKSA-N 0 0 329.404 2.322 40 0 EEABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257213627 244161478 /nfs/dbraw/zinc/16/14/78/244161478.db2.gz CIKAPURIKKJWAM-OAHLLOKOSA-N 0 0 332.375 2.453 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257243579 244250195 /nfs/dbraw/zinc/25/01/95/244250195.db2.gz IHPXJVQXEFVPQG-KRWDZBQOSA-N 0 0 325.412 2.349 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2scnc2C)nc1 ZINC000257235675 244225034 /nfs/dbraw/zinc/22/50/34/244225034.db2.gz GYWHAGZPXHENCD-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257253956 244275198 /nfs/dbraw/zinc/27/51/98/244275198.db2.gz KBABREPZGPGOFN-OAHLLOKOSA-N 0 0 327.432 2.270 40 0 EEABRN CNC(=O)[C@@]1(CCCc2ccccn2)CCCN(c2cnccn2)C1 ZINC000257254421 244279767 /nfs/dbraw/zinc/27/97/67/244279767.db2.gz KCYXERXRMLKAJN-IBGZPJMESA-N 0 0 339.443 2.227 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC[C@H](c2nc(C)cn2C)C1 ZINC000257257791 244287611 /nfs/dbraw/zinc/28/76/11/244287611.db2.gz KRCGWZQTOAEVTN-HNNXBMFYSA-N 0 0 329.448 2.284 40 0 EEABRN Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)c(O)c1 ZINC000257268403 244365700 /nfs/dbraw/zinc/36/57/00/244365700.db2.gz MLNONTLYAFQUCE-KBAYOESNSA-N 0 0 342.395 2.139 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000257267743 244368084 /nfs/dbraw/zinc/36/80/84/244368084.db2.gz MIOVUKKHAVZBQU-OAHLLOKOSA-N 0 0 329.400 2.341 40 0 EEABRN COc1cccc(O[C@H]2CCN(C(=O)c3cccn3C)CC[C@@H]2O)c1 ZINC000257269961 244372503 /nfs/dbraw/zinc/37/25/03/244372503.db2.gz MSEGJOWTRUZIHR-ROUUACIJSA-N 0 0 344.411 2.078 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257264131 244355200 /nfs/dbraw/zinc/35/52/00/244355200.db2.gz LTBAJBAQQQEAQO-QGZVFWFLSA-N 0 0 326.396 2.381 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 ZINC000257273925 244387113 /nfs/dbraw/zinc/38/71/13/244387113.db2.gz NIUHPOGSBWJZOD-CYBMUJFWSA-N 0 0 337.379 2.465 40 0 EEABRN O=C(c1nccc2ccccc21)N1CCOC[C@H]1CCc1cnccn1 ZINC000257289526 244431389 /nfs/dbraw/zinc/43/13/89/244431389.db2.gz PYZXVYIKMUGRQN-QGZVFWFLSA-N 0 0 348.406 2.499 40 0 EEABRN CCS(=O)(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257308666 244485217 /nfs/dbraw/zinc/48/52/17/244485217.db2.gz TXQNIKSPNHVYTC-IRXDYDNUSA-N 0 0 339.457 2.176 40 0 EEABRN CO[C@H]1CN(C(=O)CCn2cnc3ccccc32)CC[C@@]12CCCO2 ZINC000257319953 244515624 /nfs/dbraw/zinc/51/56/24/244515624.db2.gz VUSZWUIBLQJYTQ-HKUYNNGSSA-N 0 0 343.427 2.223 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCO[C@@H](c3nccc(C)n3)C2)n1 ZINC000257322800 244524105 /nfs/dbraw/zinc/52/41/05/244524105.db2.gz WHLHPOQGSNLDOV-CYBMUJFWSA-N 0 0 349.822 2.259 40 0 EEABRN COc1cccc(-c2nnc(NC(=O)Cn3cccn3)s2)c1OC ZINC000019658177 212054389 /nfs/dbraw/zinc/05/43/89/212054389.db2.gz IFMSDQRONBKCLH-UHFFFAOYSA-N 0 0 345.384 2.058 40 0 EEABRN Cc1c(F)cccc1NC(=O)CN1CCN(c2nccs2)CC1 ZINC000019582813 212047310 /nfs/dbraw/zinc/04/73/10/212047310.db2.gz FSWSOVJBPCEFNQ-UHFFFAOYSA-N 0 0 334.420 2.351 40 0 EEABRN COc1ccccc1CCC(=O)NCc1nnc(-c2ccncc2)o1 ZINC000019569941 212043686 /nfs/dbraw/zinc/04/36/86/212043686.db2.gz CFNUZXFLTCBOOD-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3ncnn32)cc1 ZINC000019554190 212041396 /nfs/dbraw/zinc/04/13/96/212041396.db2.gz FRJFMFLMSSICCU-OAHLLOKOSA-N 0 0 337.383 2.039 40 0 EEABRN O=C(Cn1cc(Br)cn1)Nc1cccc2nsnc21 ZINC000077955898 217006279 /nfs/dbraw/zinc/00/62/79/217006279.db2.gz HJSLYCLLNVJFAZ-UHFFFAOYSA-N 0 0 338.190 2.289 40 0 EEABRN COCC(=O)N[C@H](C(=O)NCc1oc2ccccc2c1C)C(C)C ZINC000078115161 217022935 /nfs/dbraw/zinc/02/29/35/217022935.db2.gz TZMFZVYJHDBVRU-KRWDZBQOSA-N 0 0 332.400 2.145 40 0 EEABRN Nc1c(C(=O)[C@H]2CCCN2C(=O)C2CC2)cnn1-c1cccc(F)c1 ZINC000019294353 212012903 /nfs/dbraw/zinc/01/29/03/212012903.db2.gz FLRQOLDRTIWPBT-OAHLLOKOSA-N 0 0 342.374 2.177 40 0 EEABRN O=C(Cc1cc(F)ccc1F)NCc1nnc(-c2ccncc2)o1 ZINC000019293039 212012537 /nfs/dbraw/zinc/01/25/37/212012537.db2.gz CKHBHEDEXJRZTA-UHFFFAOYSA-N 0 0 330.294 2.269 40 0 EEABRN Cc1nc(C)n(CC(=O)N2CCC(Oc3ccccc3F)CC2)n1 ZINC000019285707 212010521 /nfs/dbraw/zinc/01/05/21/212010521.db2.gz PQRSYCVEUZVSPY-UHFFFAOYSA-N 0 0 332.379 2.104 40 0 EEABRN Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cncn1 ZINC000019237627 212009137 /nfs/dbraw/zinc/00/91/37/212009137.db2.gz RAOZDCWXCGZMDE-CQSZACIVSA-N 0 0 327.413 2.143 40 0 EEABRN CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@H](C)CC2)CC1 ZINC000078468321 217057175 /nfs/dbraw/zinc/05/71/75/217057175.db2.gz BSBUGPOQJMSWFK-NFOMZHRRSA-N 0 0 330.494 2.133 40 0 EEABRN COCCCNC(=O)[C@@H](C)[S@@](=O)Cc1csc(C(C)C)n1 ZINC000078394707 217046730 /nfs/dbraw/zinc/04/67/30/217046730.db2.gz MINSWJVDJGSKHF-WSVYEEACSA-N 0 0 332.491 2.056 40 0 EEABRN O=C(C[C@H]1OCCc2ccccc21)N[C@H]1COc2ccccc2C1=O ZINC000135362434 223571451 /nfs/dbraw/zinc/57/14/51/223571451.db2.gz IEQNLGNNQGWIPW-FUHWJXTLSA-N 0 0 337.375 2.451 40 0 EEABRN CCOC1CCN(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CC1 ZINC000078663618 217098396 /nfs/dbraw/zinc/09/83/96/217098396.db2.gz AEBGTXGPWXCHHS-OAHLLOKOSA-N 0 0 335.452 2.132 40 0 EEABRN CO[C@H](C(=O)NCCc1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000078912122 217145814 /nfs/dbraw/zinc/14/58/14/217145814.db2.gz WXCKOGPNAQSABK-HNNXBMFYSA-N 0 0 326.356 2.111 40 0 EEABRN O=C(CNc1cccc(CS(=O)(=O)c2ccccc2)c1)NC1CC1 ZINC000078921578 217149594 /nfs/dbraw/zinc/14/95/94/217149594.db2.gz BVUASCCXUGASOX-UHFFFAOYSA-N 0 0 344.436 2.351 40 0 EEABRN CCCNC(=O)C1(NC(=O)c2ccc(N(C)C)nc2)CCCCC1 ZINC000078979301 217162587 /nfs/dbraw/zinc/16/25/87/217162587.db2.gz CQUOSKCRQRYRQX-UHFFFAOYSA-N 0 0 332.448 2.107 40 0 EEABRN CCN(C(=O)NCC(C)(C)c1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000079036093 217178475 /nfs/dbraw/zinc/17/84/75/217178475.db2.gz QFSPKQBPWKDCKD-CQSZACIVSA-N 0 0 340.489 2.429 40 0 EEABRN CCC(C)(C)NC(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000079334694 217210491 /nfs/dbraw/zinc/21/04/91/217210491.db2.gz AOHAXNLLPIJBPV-UHFFFAOYSA-N 0 0 348.490 2.068 40 0 EEABRN Cc1cc(OCC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)no1 ZINC000079362621 217215684 /nfs/dbraw/zinc/21/56/84/217215684.db2.gz FUGRAHKVLWAIHX-ZDUSSCGKSA-N 0 0 339.342 2.059 40 0 EEABRN C[C@H](NC(=O)Cn1c(=O)onc1-c1ccccc1)c1cccs1 ZINC000079321187 217208831 /nfs/dbraw/zinc/20/88/31/217208831.db2.gz OYIFXCAISHPTFA-NSHDSACASA-N 0 0 329.381 2.442 40 0 EEABRN COc1ccc(C)cc1CCNC(=O)[C@H]1CCCN1c1ncccn1 ZINC000081114990 217363532 /nfs/dbraw/zinc/36/35/32/217363532.db2.gz AZZHGCGOKYUHME-MRXNPFEDSA-N 0 0 340.427 2.121 40 0 EEABRN NC(=O)CSCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084263519 217590442 /nfs/dbraw/zinc/59/04/42/217590442.db2.gz TWKWUIWJDPJSQG-UHFFFAOYSA-N 0 0 333.240 2.097 40 0 EEABRN CCc1nc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000086202835 217692148 /nfs/dbraw/zinc/69/21/48/217692148.db2.gz INDRKTQWFLRUNI-BETUJISGSA-N 0 0 344.415 2.494 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)on1 ZINC000012292020 211335720 /nfs/dbraw/zinc/33/57/20/211335720.db2.gz XVRQSOZIBPCQDD-GFCCVEGCSA-N 0 0 339.355 2.448 40 0 EEABRN CCC[C@H](NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200070 211318379 /nfs/dbraw/zinc/31/83/79/211318379.db2.gz RFURRMRDCSYDKW-MNOVXSKESA-N 0 0 337.445 2.424 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)s1 ZINC000012181522 211310880 /nfs/dbraw/zinc/31/08/80/211310880.db2.gz CEPWCSXLNBJVEK-UHFFFAOYSA-N 0 0 346.456 2.311 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cc1cccnc1 ZINC000012223112 211324464 /nfs/dbraw/zinc/32/44/64/211324464.db2.gz IGBFWFGWYNUUGR-GOEBONIOSA-N 0 0 333.395 2.264 40 0 EEABRN C[C@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)c1ccccc1 ZINC000012145400 211306458 /nfs/dbraw/zinc/30/64/58/211306458.db2.gz WPKLKSVRCMJZEK-LBPRGKRZSA-N 0 0 343.408 2.485 40 0 EEABRN CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396402 218328310 /nfs/dbraw/zinc/32/83/10/218328310.db2.gz LXNAXXBGOBJLIM-FZMZJTMJSA-N 0 0 339.457 2.401 40 0 EEABRN Cc1ccnc(N2CCN(C(=O)[C@H](C)Oc3ccccc3F)CC2)n1 ZINC000095399063 218331819 /nfs/dbraw/zinc/33/18/19/218331819.db2.gz VPMSMYFAJNSPPC-AWEZNQCLSA-N 0 0 344.390 2.040 40 0 EEABRN CN(C[C@H](O)C1CC1)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000095411264 218348300 /nfs/dbraw/zinc/34/83/00/218348300.db2.gz HFCYLIGWURHLLL-KRWDZBQOSA-N 0 0 346.475 2.374 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@@H](CO)c2cccc(F)c2)C1 ZINC000095432974 218375706 /nfs/dbraw/zinc/37/57/06/218375706.db2.gz RBLZMUHGCWJVJN-IOASZLSFSA-N 0 0 344.452 2.014 40 0 EEABRN C[C@@H]1OCC[C@H]1NC(=O)NCCc1nc2cc(Cl)ccc2n1C ZINC000095448752 218393243 /nfs/dbraw/zinc/39/32/43/218393243.db2.gz HXDUMHAMSQRBSE-CMPLNLGQSA-N 0 0 336.823 2.246 40 0 EEABRN Cc1csc([C@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)n1 ZINC000096046087 218533543 /nfs/dbraw/zinc/53/35/43/218533543.db2.gz MOIQEWJQZCHREW-IACUBPJLSA-N 0 0 330.413 2.234 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096048296 218536179 /nfs/dbraw/zinc/53/61/79/218536179.db2.gz KRILEVZBEQLPKO-IEBWSBKVSA-N 0 0 346.427 2.037 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccncc1)CN(Cc1ccoc1)C2 ZINC000096060742 218553332 /nfs/dbraw/zinc/55/33/32/218553332.db2.gz UIPQRCQTJYWEMI-MRXNPFEDSA-N 0 0 339.399 2.119 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161346 218637337 /nfs/dbraw/zinc/63/73/37/218637337.db2.gz AEHCEQXCHLXVDM-GOSISDBHSA-N 0 0 349.434 2.147 40 0 EEABRN C[C@@H]1CN(C(=O)c2ccco2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201744 218674639 /nfs/dbraw/zinc/67/46/39/218674639.db2.gz HVKNHIBBKFSVEC-FZKQIMNGSA-N 0 0 325.368 2.190 40 0 EEABRN CCOC(=O)C1(C(=O)NCc2cccc(Br)c2)CC1 ZINC000096427178 218799037 /nfs/dbraw/zinc/79/90/37/218799037.db2.gz PKCQWSSEDGBFCC-UHFFFAOYSA-N 0 0 326.190 2.409 40 0 EEABRN C[C@]1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCC[C@H]1O ZINC000096450852 218834241 /nfs/dbraw/zinc/83/42/41/218834241.db2.gz DVKDSKGHPOJEOR-MLGOLLRUSA-N 0 0 332.429 2.271 40 0 EEABRN C[C@H](NC(=O)c1cnc[nH]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096461616 218844044 /nfs/dbraw/zinc/84/40/44/218844044.db2.gz SZCFRCRSCIJTNF-NSHDSACASA-N 0 0 332.379 2.001 40 0 EEABRN CC[C@@H](C)n1cnc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c1 ZINC000096471770 218849346 /nfs/dbraw/zinc/84/93/46/218849346.db2.gz MQXITZFCGBFEOW-ZIAGYGMSSA-N 0 0 337.445 2.430 40 0 EEABRN C[C@@H](N1CCN(C(=O)NCCc2cccc(O)c2)CC1)C(F)(F)F ZINC000096455058 218838984 /nfs/dbraw/zinc/83/89/84/218838984.db2.gz CVDCBCIZYNDDNF-GFCCVEGCSA-N 0 0 345.365 2.213 40 0 EEABRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cn1)C1CCCC1 ZINC000096485837 218862523 /nfs/dbraw/zinc/86/25/23/218862523.db2.gz CESAWROOWUDPSJ-UHFFFAOYSA-N 0 0 330.837 2.205 40 0 EEABRN O=C(NCC1(Cc2ccccc2)CCCC1)NC[C@@]1(O)CCOC1 ZINC000096499874 218875871 /nfs/dbraw/zinc/87/58/71/218875871.db2.gz KFDADMWFYPBSQB-IBGZPJMESA-N 0 0 332.444 2.240 40 0 EEABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1C ZINC000005006963 210358996 /nfs/dbraw/zinc/35/89/96/210358996.db2.gz DMVRYUNHSVECKT-NTEUORMPSA-N 0 0 347.440 2.301 40 0 EEABRN CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(OC)c1 ZINC000004944480 210336256 /nfs/dbraw/zinc/33/62/56/210336256.db2.gz AIXYMWNGLUFAAQ-GFCCVEGCSA-N 0 0 345.424 2.375 40 0 EEABRN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1N ZINC000003486521 208557785 /nfs/dbraw/zinc/55/77/85/208557785.db2.gz UTPXPHIKIJEUMJ-UHFFFAOYSA-N 0 0 332.216 2.338 40 0 EEABRN COc1cccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1 ZINC000004848500 210298870 /nfs/dbraw/zinc/29/88/70/210298870.db2.gz GUGSKEFYDGRROK-UHFFFAOYSA-N 0 0 342.395 2.457 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000187196660 533137588 /nfs/dbraw/zinc/13/75/88/533137588.db2.gz FRHYOGFDHLKXLU-CHWSQXEVSA-N 0 0 329.404 2.464 40 0 EEABRN CC(C)CNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113964791 220616887 /nfs/dbraw/zinc/61/68/87/220616887.db2.gz JVJWSEWBASJUJP-UHFFFAOYSA-N 0 0 348.415 2.283 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408907762 257886604 /nfs/dbraw/zinc/88/66/04/257886604.db2.gz QVEGUIQYVPVVDB-OAHLLOKOSA-N 0 0 346.452 2.466 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 ZINC000408552725 257897254 /nfs/dbraw/zinc/89/72/54/257897254.db2.gz NGOVXJRMSVGQID-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000257228638 257916421 /nfs/dbraw/zinc/91/64/21/257916421.db2.gz FUQUWHMBMZOZRL-MRXNPFEDSA-N 0 0 330.432 2.357 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 ZINC000306143681 257925372 /nfs/dbraw/zinc/92/53/72/257925372.db2.gz YIVBWRHWTGPJNP-SLTAFYQDSA-N 0 0 334.391 2.216 40 0 EEABRN Cc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1OC(C)C ZINC000278726235 257988455 /nfs/dbraw/zinc/98/84/55/257988455.db2.gz SAROWTNOCVHOIO-UHFFFAOYSA-N 0 0 326.418 2.045 40 0 EEABRN O=C(Nc1ccccc1)c1nnc2ccc(N3CCOCC3)cc2n1 ZINC000057280140 132199401 /nfs/dbraw/zinc/19/94/01/132199401.db2.gz SKIXFHREDITRHQ-UHFFFAOYSA-N 0 0 335.367 2.114 40 0 EEABRN CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000239539172 285644779 /nfs/dbraw/zinc/64/47/79/285644779.db2.gz AVQKYTYUBCESAF-RBSFLKMASA-N 0 0 337.441 2.021 40 0 EEABRN CNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000360588132 164345676 /nfs/dbraw/zinc/34/56/76/164345676.db2.gz HHMKVIXAKBBBHD-INIZCTEOSA-N 0 0 332.425 2.151 40 0 EEABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C ZINC000223001422 292520986 /nfs/dbraw/zinc/52/09/86/292520986.db2.gz NUZZWJHUNCJUNQ-JKSUJKDBSA-N 0 0 330.457 2.347 40 0 EEABRN Cc1cc(CN(C)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)no1 ZINC000159069346 225140657 /nfs/dbraw/zinc/14/06/57/225140657.db2.gz FJFQNZKUBKTUIS-LBPRGKRZSA-N 0 0 349.822 2.452 40 0 EEABRN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(F)(F)[C@@H](CO)C1 ZINC000292099438 275376114 /nfs/dbraw/zinc/37/61/14/275376114.db2.gz KZVOOMAUPZSTRP-CQSZACIVSA-N 0 0 345.411 2.204 40 0 EEABRN CO[C@@H]1CCCOC12CCN(C(=O)CC1(O)CCCCC1)CC2 ZINC000257318009 277285991 /nfs/dbraw/zinc/28/59/91/277285991.db2.gz VMCHEURXBNPCGZ-OAHLLOKOSA-N 0 0 325.449 2.258 40 0 EEABRN Cc1cncc(OCC[C@@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000253600989 281659325 /nfs/dbraw/zinc/65/93/25/281659325.db2.gz GFUSFIWTUCZUGX-OAHLLOKOSA-N 0 0 341.415 2.030 40 0 EEABRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@H]1SCCc2sccc21 ZINC000080390970 289029254 /nfs/dbraw/zinc/02/92/54/289029254.db2.gz IXVZRNXTDBXHRO-KOITXBTMSA-N 0 0 329.512 2.446 40 0 EEABRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072633292 290210100 /nfs/dbraw/zinc/21/01/00/290210100.db2.gz TWLMMNWGNMIUPX-MNOVXSKESA-N 0 0 341.408 2.129 40 0 EEABRN COc1ccccc1N(CN1C(=O)[C@@H]2C[C@@H](C)CC[C@@H]2C1=O)C(C)=O ZINC000013382156 295367874 /nfs/dbraw/zinc/36/78/74/295367874.db2.gz JQHJFAKRHKWFEY-AEGPPILISA-N 0 0 344.411 2.427 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)o1 ZINC000096485017 302571612 /nfs/dbraw/zinc/57/16/12/302571612.db2.gz OUKHDCIGEXTMNI-ZFWWWQNUSA-N 0 0 331.347 2.132 40 0 EEABRN CN(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(F)cn1 ZINC000333872129 312207935 /nfs/dbraw/zinc/20/79/35/312207935.db2.gz PNLVRLCCMFRLFN-CYBMUJFWSA-N 0 0 334.395 2.111 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000097095109 323320557 /nfs/dbraw/zinc/32/05/57/323320557.db2.gz WGDJKKTVBYSPDD-MBNYWOFBSA-N 0 0 342.386 2.250 40 0 EEABRN CC(C)OC(=O)c1ccn(Cc2ncn(-c3ccccc3)n2)c(=O)c1 ZINC000097376154 323322147 /nfs/dbraw/zinc/32/21/47/323322147.db2.gz PIVWOYRVBSOJRT-UHFFFAOYSA-N 0 0 338.367 2.043 40 0 EEABRN Cc1cnc(-c2cccc(NC(=O)N[C@H]3CCc4ncnn4C3)c2)o1 ZINC000132290959 323329310 /nfs/dbraw/zinc/32/93/10/323329310.db2.gz JAQJBTYICIUFLD-AWEZNQCLSA-N 0 0 338.371 2.378 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000195429482 323511630 /nfs/dbraw/zinc/51/16/30/323511630.db2.gz UORZMIJRIZTLEM-ZBFHGGJFSA-N 0 0 349.452 2.274 40 0 EEABRN OCCn1ccc(NCc2ncc(Cl)cc2Br)n1 ZINC000527677005 448335677 /nfs/dbraw/zinc/33/56/77/448335677.db2.gz UMJFEMLYUYVLHO-UHFFFAOYSA-N 0 0 331.601 2.298 40 0 EEABRN CC1=Nc2ncnn2[C@@H](c2ccc3c(c2)OCO3)C1C(=O)OC(C)C ZINC000000147866 462543696 /nfs/dbraw/zinc/54/36/96/462543696.db2.gz GCIJHPCKZKETNB-HNNXBMFYSA-N 0 0 342.355 2.247 40 0 EEABRN CCOc1ccc(NC(=O)C[C@H]2OC[C@@H]3CCCCN3C2=O)cc1 ZINC000000198096 462546854 /nfs/dbraw/zinc/54/68/54/462546854.db2.gz XVIVVWPEWLTKLH-GOEBONIOSA-N 0 0 332.400 2.194 40 0 EEABRN Cc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O ZINC000000281510 462552267 /nfs/dbraw/zinc/55/22/67/462552267.db2.gz JIWUWHAFZQXQTE-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN COC(=O)c1cc(NC(=O)COC(=O)c2ccccn2)ccc1Cl ZINC000000807519 462573838 /nfs/dbraw/zinc/57/38/38/462573838.db2.gz SQGJBRHSMHVIJU-UHFFFAOYSA-N 0 0 348.742 2.317 40 0 EEABRN CC1=CC(C)(C)N=C2SC(=O)c3nc4ccccc4c(=O)n3N12 ZINC000001612773 462585114 /nfs/dbraw/zinc/58/51/14/462585114.db2.gz AWQMATGNYUCAGJ-UHFFFAOYSA-N 0 0 326.381 2.274 40 0 EEABRN Cc1cccc(C2(CNC(=O)NCCc3ncnn3C)CCCC2)c1 ZINC000087190843 462594550 /nfs/dbraw/zinc/59/45/50/462594550.db2.gz DMLUDPXZQJPUTN-UHFFFAOYSA-N 0 0 341.459 2.477 40 0 EEABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000045866056 462626458 /nfs/dbraw/zinc/62/64/58/462626458.db2.gz DYTDJZRJBGXIPX-UHFFFAOYSA-N 0 0 347.364 2.169 40 0 EEABRN COc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)c(O)c1 ZINC000045972007 462634630 /nfs/dbraw/zinc/63/46/30/462634630.db2.gz QEWRXFOBMVPDQQ-UHFFFAOYSA-N 0 0 328.368 2.069 40 0 EEABRN O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2ncc[nH]2)CC1 ZINC000074828491 462640616 /nfs/dbraw/zinc/64/06/16/462640616.db2.gz SEQYZWIUDPVCKF-UHFFFAOYSA-N 0 0 331.441 2.467 40 0 EEABRN Cc1nnc(NC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)s1 ZINC000046088570 462646159 /nfs/dbraw/zinc/64/61/59/462646159.db2.gz CVWPTLWFKBNBAW-UHFFFAOYSA-N 0 0 342.384 2.085 40 0 EEABRN Cn1nc(C(=O)Nc2nccs2)cc1NC(=O)c1ccccc1 ZINC000046088932 462646440 /nfs/dbraw/zinc/64/64/40/462646440.db2.gz CTXGUIQHPVRKCP-UHFFFAOYSA-N 0 0 327.369 2.381 40 0 EEABRN Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)C1CC1 ZINC000046089153 462647619 /nfs/dbraw/zinc/64/76/19/462647619.db2.gz LWFHVSXRLFRCTQ-UHFFFAOYSA-N 0 0 332.791 2.352 40 0 EEABRN Cc1cc([C@H](C)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)s1 ZINC000046240793 462662881 /nfs/dbraw/zinc/66/28/81/462662881.db2.gz KYSLXUJSIIMYOX-NSHDSACASA-N 0 0 349.456 2.407 40 0 EEABRN CC(C)CCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006325685 462683024 /nfs/dbraw/zinc/68/30/24/462683024.db2.gz MCGNHYAHRBEZCE-UHFFFAOYSA-N 0 0 332.853 2.268 40 0 EEABRN Clc1ccc(C2=NON(c3ncccn3)[C@H]3N=CC=CN23)cc1 ZINC000006599347 462691546 /nfs/dbraw/zinc/69/15/46/462691546.db2.gz FPLJLPSTAWKQCY-HNNXBMFYSA-N 0 0 326.747 2.427 40 0 EEABRN CCCCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000006596890 462692469 /nfs/dbraw/zinc/69/24/69/462692469.db2.gz RLQZHAYRYSAAPX-UHFFFAOYSA-N 0 0 342.461 2.076 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1 ZINC000006680365 462697292 /nfs/dbraw/zinc/69/72/92/462697292.db2.gz DULSKOAHHFYYMM-UHFFFAOYSA-N 0 0 330.475 2.451 40 0 EEABRN CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000007077054 462720628 /nfs/dbraw/zinc/72/06/28/462720628.db2.gz MDLILOZMDPOBOU-ZDUSSCGKSA-N 0 0 326.462 2.221 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000007070679 462720746 /nfs/dbraw/zinc/72/07/46/462720746.db2.gz OSCXSRRGCUEZCD-GFCCVEGCSA-N 0 0 342.461 2.057 40 0 EEABRN O=C1NC(=O)C(=Cc2ccc(O)c(I)c2)S1 ZINC000115662881 462723990 /nfs/dbraw/zinc/72/39/90/462723990.db2.gz ZBXUCDXDINMYLH-XBXARRHUSA-N 0 0 347.133 2.321 40 0 EEABRN Cc1cccc(N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000008040993 462763677 /nfs/dbraw/zinc/76/36/77/462763677.db2.gz TZUIRJUXEMCGMF-UHFFFAOYSA-N 0 0 326.462 2.456 40 0 EEABRN COc1cc(C(=S)N2CCN(C)CC2)cc(Br)c1O ZINC000008091781 462765544 /nfs/dbraw/zinc/76/55/44/462765544.db2.gz YJBYRQMPPAYRJT-UHFFFAOYSA-N 0 0 345.262 2.086 40 0 EEABRN CCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000008476114 462784287 /nfs/dbraw/zinc/78/42/87/462784287.db2.gz DNRZIIZHXQBPDI-UHFFFAOYSA-N 0 0 340.445 2.010 40 0 EEABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)NCc1ccccc1 ZINC000008456499 462784814 /nfs/dbraw/zinc/78/48/14/462784814.db2.gz DWGAUPZOAXBBHD-UHFFFAOYSA-N 0 0 331.422 2.393 40 0 EEABRN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)s1 ZINC000008473987 462784838 /nfs/dbraw/zinc/78/48/38/462784838.db2.gz PBSSWKLMISSUGF-GFCCVEGCSA-N 0 0 330.413 2.455 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000008570082 462789741 /nfs/dbraw/zinc/78/97/41/462789741.db2.gz CXXIACJXEQBLGM-HNNXBMFYSA-N 0 0 338.363 2.361 40 0 EEABRN COc1ccc(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl ZINC000010363043 462818904 /nfs/dbraw/zinc/81/89/04/462818904.db2.gz LBOCPTLCCBDUNP-JTQLQIEISA-N 0 0 348.852 2.028 40 0 EEABRN CC(C)C(=O)N[C@@H]1CCCc2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc21 ZINC000012241099 462848531 /nfs/dbraw/zinc/84/85/31/462848531.db2.gz JSPMMDLZCAPVPU-VNHYZAJKSA-N 0 0 332.448 2.240 40 0 EEABRN C[C@@H](CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1 ZINC000048229998 462876533 /nfs/dbraw/zinc/87/65/33/462876533.db2.gz MYKBBOLWURIAJQ-ZDUSSCGKSA-N 0 0 331.416 2.017 40 0 EEABRN O=C(Cc1ccc(Br)cc1)N1CCC(n2ccnn2)CC1 ZINC000155705471 462930856 /nfs/dbraw/zinc/93/08/56/462930856.db2.gz HFPREVJODVOBRO-UHFFFAOYSA-N 0 0 349.232 2.447 40 0 EEABRN CCc1ccc(-n2c(=O)c3cc(OC)c(OC)cc3[nH]c2=NN)cc1 ZINC000015424604 462952386 /nfs/dbraw/zinc/95/23/86/462952386.db2.gz HYTJDYZWKKFBIS-UHFFFAOYSA-N 0 0 340.383 2.251 40 0 EEABRN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1F ZINC000049216795 462961129 /nfs/dbraw/zinc/96/11/29/462961129.db2.gz JZUZDTSKZNKLOT-UHFFFAOYSA-N 0 0 343.314 2.290 40 0 EEABRN CCNC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000077287093 462963791 /nfs/dbraw/zinc/96/37/91/462963791.db2.gz KXPNXMHTVGJNIW-YCRPNKLZSA-N 0 0 348.402 2.377 40 0 in-vitro EEABRN CC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cc(F)ccc1F ZINC000077582980 463008675 /nfs/dbraw/zinc/00/86/75/463008675.db2.gz VBWULGKEASXUQA-BXUZGUMPSA-N 0 0 325.359 2.336 40 0 EEABRN Cc1cn(CC(=O)N2CCC[C@H](COc3ccccc3C)C2)nn1 ZINC000019237354 463016075 /nfs/dbraw/zinc/01/60/75/463016075.db2.gz BZPFAMOJJSZRPR-INIZCTEOSA-N 0 0 328.416 2.213 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1c2cccnc2N2CCC[C@@H]2C1=O ZINC000019496223 463018276 /nfs/dbraw/zinc/01/82/76/463018276.db2.gz BXJNRXUKTXASOW-IIAWOOMASA-N 0 0 342.443 2.092 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000078714997 463143180 /nfs/dbraw/zinc/14/31/80/463143180.db2.gz ILAATYLCYGSIJJ-IAGOWNOFSA-N 0 0 336.407 2.460 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096039109 463143862 /nfs/dbraw/zinc/14/38/62/463143862.db2.gz ZTKSOVXGYCGTCI-JKSUJKDBSA-N 0 0 343.420 2.032 40 0 EEABRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1 ZINC000096041898 463146155 /nfs/dbraw/zinc/14/61/55/463146155.db2.gz QEXRUZULIFTJQF-GVDBMIGSSA-N 0 0 329.375 2.427 40 0 EEABRN O=C(N1CCCC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096044173 463149394 /nfs/dbraw/zinc/14/93/94/463149394.db2.gz NXWPLVJOKOHZOU-OAHLLOKOSA-N 0 0 341.415 2.005 40 0 EEABRN CN(Cc1cn2c(n1)CN(CC1CCOCC1)CC2)Cc1ccco1 ZINC000096059537 463160412 /nfs/dbraw/zinc/16/04/12/463160412.db2.gz AZAMFSSEGSUXGY-UHFFFAOYSA-N 0 0 344.459 2.350 40 0 EEABRN Cc1noc(C)c1CN1CCOC[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096062466 463163743 /nfs/dbraw/zinc/16/37/43/463163743.db2.gz RTIOIZWVDLRWJD-LJQANCHMSA-N 0 0 342.443 2.415 40 0 EEABRN CCOC[C@@H]1Cn2ccnc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096066810 463164990 /nfs/dbraw/zinc/16/49/90/463164990.db2.gz TWUJBFZQSHXFBJ-HNNXBMFYSA-N 0 0 329.400 2.280 40 0 EEABRN Cn1cc(N[C@@H]2COC3(C2)CCN(Cc2nccs2)CC3)cn1 ZINC000096074209 463167913 /nfs/dbraw/zinc/16/79/13/463167913.db2.gz PSKKPFWYEJEADJ-ZDUSSCGKSA-N 0 0 333.461 2.112 40 0 EEABRN Cc1cccnc1N1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC000096093280 463170739 /nfs/dbraw/zinc/17/07/39/463170739.db2.gz DELLWHWCFOUNIP-SFHVURJKSA-N 0 0 325.416 2.147 40 0 EEABRN Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccc(F)cc1 ZINC000096098600 463172054 /nfs/dbraw/zinc/17/20/54/463172054.db2.gz IALPJKWWSBEAPB-UHFFFAOYSA-N 0 0 343.406 2.237 40 0 EEABRN CSc1ccc([C@H](O)CNS(=O)(=O)c2c(C)noc2C)cc1 ZINC000096103191 463174214 /nfs/dbraw/zinc/17/42/14/463174214.db2.gz CZKWRXJPRWVDKG-CYBMUJFWSA-N 0 0 342.442 2.025 40 0 EEABRN CO[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1C ZINC000096105117 463174281 /nfs/dbraw/zinc/17/42/81/463174281.db2.gz XDZFBJVBCRCQMQ-HNNXBMFYSA-N 0 0 337.445 2.011 40 0 EEABRN Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)nc(N2CCCC2)n1 ZINC000096121078 463182364 /nfs/dbraw/zinc/18/23/64/463182364.db2.gz DETJRMBBSXTQRZ-UHFFFAOYSA-N 0 0 340.383 2.044 40 0 EEABRN Cc1nccn1CCCNC(=O)CCc1ccc2c(c1)OCCCO2 ZINC000079044191 463182616 /nfs/dbraw/zinc/18/26/16/463182616.db2.gz DMTWHOUFIBVIBH-UHFFFAOYSA-N 0 0 343.427 2.492 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096158798 463188633 /nfs/dbraw/zinc/18/86/33/463188633.db2.gz WOPYUSRECBAWJW-UHFFFAOYSA-N 0 0 341.411 2.182 40 0 EEABRN COc1ccccc1N1C[C@H](C(=O)Nc2cccc(C)n2)CC1=O ZINC000027655179 463199828 /nfs/dbraw/zinc/19/98/28/463199828.db2.gz QYVNHFKAFOZDPZ-CYBMUJFWSA-N 0 0 325.368 2.390 40 0 EEABRN O=C(N[C@@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1)c1ccoc1 ZINC000096196593 463201413 /nfs/dbraw/zinc/20/14/13/463201413.db2.gz LKEJYBUQEMYKCS-QGZVFWFLSA-N 0 0 349.390 2.172 40 0 EEABRN CCn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cnn(C)c1)C2 ZINC000096198103 463204218 /nfs/dbraw/zinc/20/42/18/463204218.db2.gz BQMDNLYXBLCTHD-KRWDZBQOSA-N 0 0 329.448 2.163 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202216 463207570 /nfs/dbraw/zinc/20/75/70/463207570.db2.gz UOPBLEPFWIUDSE-QGZVFWFLSA-N 0 0 347.440 2.101 40 0 EEABRN CCOC[C@@H]1Cn2cncc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096206540 463208532 /nfs/dbraw/zinc/20/85/32/463208532.db2.gz MNNKWUOTBWLVNC-LBPRGKRZSA-N 0 0 330.388 2.057 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225540 463220721 /nfs/dbraw/zinc/22/07/21/463220721.db2.gz OCCFNTRLMVZONR-KRWDZBQOSA-N 0 0 349.456 2.284 40 0 EEABRN Cc1cccc(CN2CC[C@]3(CCCN(C(=O)NC4CC4)C3)C2=O)n1 ZINC000096224706 463221181 /nfs/dbraw/zinc/22/11/81/463221181.db2.gz MJAHZGJUOFMUFN-IBGZPJMESA-N 0 0 342.443 2.077 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC000096226954 463221363 /nfs/dbraw/zinc/22/13/63/463221363.db2.gz DAJDEGLJNCORHD-NQIIRXRSSA-N 0 0 349.434 2.179 40 0 EEABRN c1csc(CN2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229457 463223019 /nfs/dbraw/zinc/22/30/19/463223019.db2.gz DWPKDSUKVFPBKS-GOSISDBHSA-N 0 0 345.468 2.251 40 0 EEABRN O=C(c1ccncc1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096239260 463224635 /nfs/dbraw/zinc/22/46/35/463224635.db2.gz XFLDQJWIAWIKEX-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@@H]21 ZINC000096250171 463227063 /nfs/dbraw/zinc/22/70/63/463227063.db2.gz HRVCELLBBIIOFZ-FHLIZLRMSA-N 0 0 338.411 2.208 40 0 EEABRN O=C(NCc1cccnc1)N1CCc2ncnc(-c3ccoc3)c2CC1 ZINC000096255171 463228184 /nfs/dbraw/zinc/22/81/84/463228184.db2.gz CTVHNCSEDOMMDE-UHFFFAOYSA-N 0 0 349.394 2.442 40 0 EEABRN CC(C)Nc1nc(N2CCCC2)nc2c1CN(C(=O)C1CC1)CC2 ZINC000096254269 463228905 /nfs/dbraw/zinc/22/89/05/463228905.db2.gz PFDNQXOZAWYXEC-UHFFFAOYSA-N 0 0 329.448 2.192 40 0 EEABRN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@H]1CCCC[C@@H]1O ZINC000096404027 463238086 /nfs/dbraw/zinc/23/80/86/463238086.db2.gz HRWYEEPGYZXKHF-IRXDYDNUSA-N 0 0 345.443 2.306 40 0 EEABRN O=C(NCCCO)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000096407007 463240625 /nfs/dbraw/zinc/24/06/25/463240625.db2.gz WEFHLLPJKQDKCE-QHCPKHFHSA-N 0 0 332.425 2.498 40 0 EEABRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCC[C@H](O)C(F)(F)F ZINC000096413316 463246173 /nfs/dbraw/zinc/24/61/73/463246173.db2.gz YCPKUMZKRIZYPP-RYUDHWBXSA-N 0 0 332.322 2.349 40 0 EEABRN Cn1cc(CC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cn1 ZINC000096417225 463249074 /nfs/dbraw/zinc/24/90/74/463249074.db2.gz ZGLLBGVSZPQNGN-CQSZACIVSA-N 0 0 332.379 2.331 40 0 EEABRN CCCc1nc(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 ZINC000096427385 463256915 /nfs/dbraw/zinc/25/69/15/463256915.db2.gz SLORAIPYLMBGMJ-UHFFFAOYSA-N 0 0 338.433 2.193 40 0 EEABRN O=C([C@H]1CCCO1)N1CCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000096427284 463256975 /nfs/dbraw/zinc/25/69/75/463256975.db2.gz XLUSBXBVJGLXFO-MRXNPFEDSA-N 0 0 329.375 2.202 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCN(C)c2ccc(F)cc21 ZINC000096428637 463257740 /nfs/dbraw/zinc/25/77/40/463257740.db2.gz KTPHRHACUOYNBA-UHFFFAOYSA-N 0 0 325.365 2.076 40 0 EEABRN COCC[C@H](C)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000096427875 463258166 /nfs/dbraw/zinc/25/81/66/463258166.db2.gz SYKVDSIVIHOZBP-ZETCQYMHSA-N 0 0 327.233 2.279 40 0 EEABRN Cc1c(Br)cccc1C(=O)N(C)[C@H]1CCN(C)C1=O ZINC000096431183 463259993 /nfs/dbraw/zinc/25/99/93/463259993.db2.gz FTGXIGQUDPWMNP-LBPRGKRZSA-N 0 0 325.206 2.060 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCCC2 ZINC000096432586 463261035 /nfs/dbraw/zinc/26/10/35/463261035.db2.gz ARTSAVAGFRLPLE-BRWVUGGUSA-N 0 0 348.487 2.489 40 0 EEABRN O=C(Nc1ccn(Cc2ccccn2)n1)N1CCO[C@H]2CCC[C@H]21 ZINC000096435046 463261836 /nfs/dbraw/zinc/26/18/36/463261836.db2.gz BZJRQFFNVBJZMP-CABCVRRESA-N 0 0 327.388 2.112 40 0 EEABRN COC[C@H]1CN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCO1 ZINC000096434898 463262277 /nfs/dbraw/zinc/26/22/77/463262277.db2.gz VZZGRHWKPZWOKZ-CQSZACIVSA-N 0 0 333.363 2.496 40 0 EEABRN O=c1[nH]nc(SCc2cccc(Cl)n2)n1C[C@H]1CCCO1 ZINC000096435641 463263989 /nfs/dbraw/zinc/26/39/89/463263989.db2.gz PCBXDJLLQGGIJV-SNVBAGLBSA-N 0 0 326.809 2.091 40 0 EEABRN O=C(NC[C@@H](O)C1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096436638 463264992 /nfs/dbraw/zinc/26/49/92/463264992.db2.gz WSXKXNATKSXDIG-GOSISDBHSA-N 0 0 344.455 2.206 40 0 EEABRN O=C(N[C@H]1CCc2cc(Br)ccc21)[C@H]1CSC(=O)N1 ZINC000096444656 463269664 /nfs/dbraw/zinc/26/96/64/463269664.db2.gz UCYGNJWRZYEWIC-WDEREUQCSA-N 0 0 341.230 2.378 40 0 EEABRN Cn1c(C(=O)N[C@@H]2CC[S@@](=O)C2)cc2cc(C(F)(F)F)ccc21 ZINC000096449907 463272142 /nfs/dbraw/zinc/27/21/42/463272142.db2.gz PTYYMBJWCOZVSU-BGJPBQGDSA-N 0 0 344.358 2.448 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)N(C)Cc2sccc2C)c1 ZINC000096451159 463273254 /nfs/dbraw/zinc/27/32/54/463273254.db2.gz PMZLMJSICMXCLR-UHFFFAOYSA-N 0 0 344.483 2.298 40 0 EEABRN COc1cc(OC)cc(N2CCC(NC(=O)c3ccc[nH]3)CC2)c1 ZINC000096454574 463274531 /nfs/dbraw/zinc/27/45/31/463274531.db2.gz AFHQXRJHOKXHTK-UHFFFAOYSA-N 0 0 329.400 2.431 40 0 EEABRN C[C@@H]1COCCN1C(=O)NCc1nccn1CCCc1ccccc1 ZINC000096459720 463276794 /nfs/dbraw/zinc/27/67/94/463276794.db2.gz YUBCLIKLUXWGPU-MRXNPFEDSA-N 0 0 342.443 2.446 40 0 EEABRN Cc1cc(NC(=O)CN(C)Cc2nc(-c3ccccc3)c[nH]2)no1 ZINC000096476211 463280114 /nfs/dbraw/zinc/28/01/14/463280114.db2.gz YEPOYWKREVWCBB-UHFFFAOYSA-N 0 0 325.372 2.444 40 0 EEABRN COc1cc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)ccn1 ZINC000096490477 463286840 /nfs/dbraw/zinc/28/68/40/463286840.db2.gz XBQNXYVEMDEHSH-UHFFFAOYSA-N 0 0 337.427 2.284 40 0 EEABRN O=S(=O)(c1ccccn1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096492603 463287658 /nfs/dbraw/zinc/28/76/58/463287658.db2.gz MWKKOKUAQHZUDR-OAHLLOKOSA-N 0 0 336.388 2.107 40 0 EEABRN COC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000096494909 463288824 /nfs/dbraw/zinc/28/88/24/463288824.db2.gz WFHLXJSQAOIHFF-GFCCVEGCSA-N 0 0 328.771 2.126 40 0 EEABRN CC(C)[C@@H](NC(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1F ZINC000096500880 463291470 /nfs/dbraw/zinc/29/14/70/463291470.db2.gz ZRQHIROEFWENOL-CQSZACIVSA-N 0 0 327.787 2.318 40 0 EEABRN Cn1cc(Br)c(=O)c(NC(=O)CCC(F)(F)F)c1 ZINC000096500844 463291857 /nfs/dbraw/zinc/29/18/57/463291857.db2.gz SASDZTZMIVVNQS-UHFFFAOYSA-N 0 0 327.100 2.429 40 0 EEABRN C[C@H](CNC(=O)NCCn1c(=O)oc2ccccc21)c1nccs1 ZINC000096502676 463293343 /nfs/dbraw/zinc/29/33/43/463293343.db2.gz JURJJBNOUOOLAF-LLVKDONJSA-N 0 0 346.412 2.154 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccccc1F ZINC000096519759 463293753 /nfs/dbraw/zinc/29/37/53/463293753.db2.gz HOUDFNNNMLKYOG-DTWKUNHWSA-N 0 0 331.590 2.191 40 0 EEABRN Cc1ccc([C@@H](O)[C@@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519744 463294289 /nfs/dbraw/zinc/29/42/89/463294289.db2.gz DQQCBBDOKAKARM-ZJUUUORDSA-N 0 0 327.627 2.361 40 0 EEABRN Cc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(C)o3)[C@H](C)C2)o1 ZINC000097098280 463322861 /nfs/dbraw/zinc/32/28/61/463322861.db2.gz HEFLZYRYHGRRPA-CYBMUJFWSA-N 0 0 344.411 2.334 40 0 EEABRN CCN1C[C@H](COC(=O)c2cc(-c3csc(C)n3)cn2C)CC1=O ZINC000097102382 463324143 /nfs/dbraw/zinc/32/41/43/463324143.db2.gz RTMOJBKXSZPYMB-GFCCVEGCSA-N 0 0 347.440 2.482 40 0 EEABRN CO[C@]1(C)C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1(C)C ZINC000080720885 463350991 /nfs/dbraw/zinc/35/09/91/463350991.db2.gz OTMDYKMBUZDKEO-RDTXWAMCSA-N 0 0 332.448 2.013 40 0 EEABRN CC(C)(C(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000097377997 463356893 /nfs/dbraw/zinc/35/68/93/463356893.db2.gz DIRCRYPMJJADGK-AWEZNQCLSA-N 0 0 344.377 2.032 40 0 EEABRN CC[C@@H](NC(=O)NCc1c(C)nn(C)c1OC)c1c(C)nn(C)c1C ZINC000097377844 463357128 /nfs/dbraw/zinc/35/71/28/463357128.db2.gz SHCFDVIWRIFXOZ-CQSZACIVSA-N 0 0 348.451 2.038 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2cnccn2)CC1 ZINC000070930364 463394236 /nfs/dbraw/zinc/39/42/36/463394236.db2.gz VILGGKCCGKDWCW-HNNXBMFYSA-N 0 0 340.427 2.277 40 0 EEABRN CCn1nc(C)c2c1cnn2CC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000041124187 463468169 /nfs/dbraw/zinc/46/81/69/463468169.db2.gz JTQOGPAZMGRRBQ-GFCCVEGCSA-N 0 0 341.415 2.447 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 ZINC000057320747 463478676 /nfs/dbraw/zinc/47/86/76/463478676.db2.gz CPTLAGYMGLPDRH-HIFRSBDPSA-N 0 0 336.407 2.137 40 0 EEABRN CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N1CCOCC1 ZINC000072216206 463483606 /nfs/dbraw/zinc/48/36/06/463483606.db2.gz WWGVRTNQOYCAEL-UHFFFAOYSA-N 0 0 349.431 2.406 40 0 EEABRN CC(C)NC(=O)COC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000041691259 463505646 /nfs/dbraw/zinc/50/56/46/463505646.db2.gz DTMXBFJWIMMTKE-UHFFFAOYSA-N 0 0 338.367 2.078 40 0 EEABRN Cn1c2ccccc2c2ccc(CN3CCn4c(CO)nnc4C3)cc21 ZINC000057822941 463521448 /nfs/dbraw/zinc/52/14/48/463521448.db2.gz INQJYRBIVSOSHY-UHFFFAOYSA-N 0 0 347.422 2.431 40 0 EEABRN COC(=O)[C@@H]1CCCCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000162619250 463525826 /nfs/dbraw/zinc/52/58/26/463525826.db2.gz DQIKGZOEXFQOJC-HZPDHXFCSA-N 0 0 328.416 2.479 40 0 EEABRN C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)N1CCNC1=O ZINC000058152490 463543757 /nfs/dbraw/zinc/54/37/57/463543757.db2.gz QCCIPKNQBVBTCA-SSDOTTSWSA-N 0 0 331.155 2.091 40 0 EEABRN CC(C)(C)c1cc(NC(=O)COc2ccccc2F)n(CCO)n1 ZINC000042384528 463561183 /nfs/dbraw/zinc/56/11/83/463561183.db2.gz HWMNEQIVBGIABP-UHFFFAOYSA-N 0 0 335.379 2.330 40 0 EEABRN CCN1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000058300703 463574504 /nfs/dbraw/zinc/57/45/04/463574504.db2.gz GCXBZAGLJOOVDZ-UHFFFAOYSA-N 0 0 343.427 2.447 40 0 EEABRN CC(C)CCc1noc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1 ZINC000084089893 463576999 /nfs/dbraw/zinc/57/69/99/463576999.db2.gz OHAAOJBCZMEXMR-KBPBESRZSA-N 0 0 343.493 2.446 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000107716276 463580144 /nfs/dbraw/zinc/58/01/44/463580144.db2.gz UGDSIFLYVSDXQL-JJRVBVJISA-N 0 0 343.383 2.137 40 0 EEABRN C[C@H](C(=O)N1CCCCCC1)N1CCN(c2ncccc2F)CC1 ZINC000084486261 463606328 /nfs/dbraw/zinc/60/63/28/463606328.db2.gz XLCQXLSCOKVHFI-OAHLLOKOSA-N 0 0 334.439 2.134 40 0 EEABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCN(c2ccccn2)CC1 ZINC000044849118 463695391 /nfs/dbraw/zinc/69/53/91/463695391.db2.gz AQXZIGXKPDJIAS-UHFFFAOYSA-N 0 0 347.422 2.289 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000044892989 463699113 /nfs/dbraw/zinc/69/91/13/463699113.db2.gz NUYHIUXIJRDOMW-GOSISDBHSA-N 0 0 337.427 2.219 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)NCCCn1ncc2c1cccc2C ZINC000257173199 463756391 /nfs/dbraw/zinc/75/63/91/463756391.db2.gz GKFRETHDRZYGOU-UHFFFAOYSA-N 0 0 325.416 2.434 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 ZINC000257284966 463761789 /nfs/dbraw/zinc/76/17/89/463761789.db2.gz PFBTXFYWUAQVHL-HOTGVXAUSA-N 0 0 348.374 2.475 40 0 EEABRN Cc1nc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cs1 ZINC000257302814 463768609 /nfs/dbraw/zinc/76/86/09/463768609.db2.gz SEOHFRJWRFDLRC-HOTGVXAUSA-N 0 0 329.425 2.068 40 0 EEABRN COCc1ccc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)cc1 ZINC000257316848 463774888 /nfs/dbraw/zinc/77/48/88/463774888.db2.gz VHHBDYGSDVEMTR-HNNXBMFYSA-N 0 0 340.427 2.300 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cncs3)CCO2)ccn1 ZINC000257315220 463775012 /nfs/dbraw/zinc/77/50/12/463775012.db2.gz VAKRUBBEGYBGQV-CQSZACIVSA-N 0 0 346.456 2.078 40 0 EEABRN CNc1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ccn1 ZINC000257318345 463775637 /nfs/dbraw/zinc/77/56/37/463775637.db2.gz VNMYLTRNRHQUJN-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN COCc1cccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)c1 ZINC000257331143 463780694 /nfs/dbraw/zinc/78/06/94/463780694.db2.gz XROZEFZIVNWHDI-INIZCTEOSA-N 0 0 341.411 2.447 40 0 EEABRN Cc1ocnc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257337746 463783886 /nfs/dbraw/zinc/78/38/86/463783886.db2.gz YUEKWWBHWKLRBU-BFYDXBDKSA-N 0 0 330.384 2.416 40 0 EEABRN C[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ncon1 ZINC000194532807 463878847 /nfs/dbraw/zinc/87/88/47/463878847.db2.gz AJRHFDNYZYSBIX-RDDDGLTNSA-N 0 0 338.161 2.013 40 0 EEABRN CS(=O)(=O)CCN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186032613 463925034 /nfs/dbraw/zinc/92/50/34/463925034.db2.gz IMKSMKJTJNZYPP-UHFFFAOYSA-N 0 0 337.272 2.160 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000171986738 463962574 /nfs/dbraw/zinc/96/25/74/463962574.db2.gz SDNBHRMMXJKDJC-UHFFFAOYSA-N 0 0 326.448 2.027 40 0 EEABRN Cc1occc1-c1nnc(S(=O)(=O)Cc2ccc(F)cc2)n1C ZINC000195109433 463992359 /nfs/dbraw/zinc/99/23/59/463992359.db2.gz KLKLCYLITYDMEP-UHFFFAOYSA-N 0 0 335.360 2.497 40 0 EEABRN CCn1ncnc1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000195417290 464051856 /nfs/dbraw/zinc/05/18/56/464051856.db2.gz NXXVAMJCCYEGEV-UHFFFAOYSA-N 0 0 325.155 2.401 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CCOc2nc(C)ccc21 ZINC000195445013 464054845 /nfs/dbraw/zinc/05/48/45/464054845.db2.gz FZTJOYRUDSWUPV-UHFFFAOYSA-N 0 0 334.397 2.295 40 0 EEABRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1nnc2n1CCC2 ZINC000195531046 464071971 /nfs/dbraw/zinc/07/19/71/464071971.db2.gz BSEVPOUNXUFQEF-KFWWJZLASA-N 0 0 334.464 2.257 40 0 EEABRN O=C(CCN[C@H](c1ccc(F)cc1)c1ncccn1)N1CCCC1 ZINC000195560583 464076394 /nfs/dbraw/zinc/07/63/94/464076394.db2.gz XPHDVAUZGYWEMH-QGZVFWFLSA-N 0 0 328.391 2.307 40 0 EEABRN Cc1ccc(C(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)s1 ZINC000198171986 464084931 /nfs/dbraw/zinc/08/49/31/464084931.db2.gz FKTDCGYTZLENGU-JTQLQIEISA-N 0 0 339.442 2.095 40 0 EEABRN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1 ZINC000218552331 464108923 /nfs/dbraw/zinc/10/89/23/464108923.db2.gz ISXIZBZONDYGSW-SOLBZPMBSA-N 0 0 345.420 2.025 40 0 EEABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000222911558 464134519 /nfs/dbraw/zinc/13/45/19/464134519.db2.gz IBRNDYPRRXAQPO-AWEZNQCLSA-N 0 0 338.423 2.352 40 0 EEABRN COCc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 ZINC000223614692 464145558 /nfs/dbraw/zinc/14/55/58/464145558.db2.gz BCYSUPQSFWYRJQ-UHFFFAOYSA-N 0 0 348.424 2.238 40 0 EEABRN CCOC(=O)C(Nc1cc(C)nn1-c1ccccc1)C(=O)OCC ZINC000223813574 464146175 /nfs/dbraw/zinc/14/61/75/464146175.db2.gz GCQJBQYILWKRME-UHFFFAOYSA-N 0 0 331.372 2.087 40 0 EEABRN CS(=O)(=O)Nc1cccc(C(=O)NCCOCc2ccccc2)c1 ZINC000224073532 464148674 /nfs/dbraw/zinc/14/86/74/464148674.db2.gz GILPHBSGOKPHEQ-UHFFFAOYSA-N 0 0 348.424 2.005 40 0 EEABRN COc1ccccc1OCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000224184098 464148828 /nfs/dbraw/zinc/14/88/28/464148828.db2.gz OHUWOEQSANEIAI-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Nc3cccc(F)c3)cn2)CC1 ZINC000224266698 464149303 /nfs/dbraw/zinc/14/93/03/464149303.db2.gz JCCCBXAVCNXBOO-UHFFFAOYSA-N 0 0 330.367 2.012 40 0 EEABRN S=C(NCCCn1ccnc1)Nc1ccc(Br)cn1 ZINC000225194685 464154737 /nfs/dbraw/zinc/15/47/37/464154737.db2.gz CMBMRKMKCYOBKP-UHFFFAOYSA-N 0 0 340.250 2.417 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1 ZINC000225448927 464160560 /nfs/dbraw/zinc/16/05/60/464160560.db2.gz NWMPJIVUZMJVDB-UHFFFAOYSA-N 0 0 342.486 2.088 40 0 EEABRN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225475084 464164102 /nfs/dbraw/zinc/16/41/02/464164102.db2.gz PMMUIIQBRSQJAL-MAUKXSAKSA-N 0 0 339.395 2.160 40 0 EEABRN CCCCNc1cc(N2CCC[C@H](c3nc(C)no3)C2)nc(N)n1 ZINC000225538804 464171024 /nfs/dbraw/zinc/17/10/24/464171024.db2.gz AAUPRBJIGQUELG-LBPRGKRZSA-N 0 0 331.424 2.346 40 0 EEABRN O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(CC(F)F)CC1 ZINC000225559261 464171955 /nfs/dbraw/zinc/17/19/55/464171955.db2.gz DXONGLNSBOETMM-UHFFFAOYSA-N 0 0 348.397 2.466 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)NCc2ccsc2)cc1OC ZINC000225581573 464173892 /nfs/dbraw/zinc/17/38/92/464173892.db2.gz CQLPTRSWRMBYHT-UHFFFAOYSA-N 0 0 341.410 2.022 40 0 EEABRN CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000225675802 464179401 /nfs/dbraw/zinc/17/94/01/464179401.db2.gz MRSFGEVOYKLCJM-CQSZACIVSA-N 0 0 336.457 2.365 40 0 EEABRN CC[C@@]1(C)CN(C(=O)NCc2cn(C)nc2C(F)(F)F)CCO1 ZINC000188223024 464228920 /nfs/dbraw/zinc/22/89/20/464228920.db2.gz AKGKPOCBIQLBNV-ZDUSSCGKSA-N 0 0 334.342 2.149 40 0 EEABRN COCCn1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000188230513 464231570 /nfs/dbraw/zinc/23/15/70/464231570.db2.gz UFDFJUMNIHPTIO-LBPRGKRZSA-N 0 0 335.354 2.437 40 0 EEABRN O=C(NCCCc1nnc[nH]1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000284899159 464384342 /nfs/dbraw/zinc/38/43/42/464384342.db2.gz OLEFGXVOIMFNCX-HNNXBMFYSA-N 0 0 345.403 2.117 40 0 EEABRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000188984642 464409938 /nfs/dbraw/zinc/40/99/38/464409938.db2.gz XXZCDRIYCOIYNH-INIZCTEOSA-N 0 0 345.349 2.281 40 0 EEABRN O=C(Nc1cccc(OCCn2cncn2)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000239654473 464444105 /nfs/dbraw/zinc/44/41/05/464444105.db2.gz BNXCNPBODSCKDD-ZWKOTPCHSA-N 0 0 349.394 2.494 40 0 EEABRN O=C1NCCN(Cc2cc[nH]c2)[C@H]1c1ccccc1Br ZINC000239882317 464445552 /nfs/dbraw/zinc/44/55/52/464445552.db2.gz DBCHNTSFWDZHQD-AWEZNQCLSA-N 0 0 334.217 2.450 40 0 EEABRN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cc3ccccc3o2)cn1 ZINC000240555881 464447925 /nfs/dbraw/zinc/44/79/25/464447925.db2.gz GXZKGCARRPKBKO-INIZCTEOSA-N 0 0 345.424 2.138 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCCc2ccc(C)nc2)n1 ZINC000190182759 464606670 /nfs/dbraw/zinc/60/66/70/464606670.db2.gz LADKOIGFSOLGMS-OAHLLOKOSA-N 0 0 346.456 2.481 40 0 EEABRN COc1cccc(CN2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c1 ZINC000247878526 464712511 /nfs/dbraw/zinc/71/25/11/464712511.db2.gz IELWUBAULNVGKX-KRWDZBQOSA-N 0 0 341.411 2.298 40 0 EEABRN COCC[C@@H]1CCOC2(CN(C(=O)COc3ccccc3C)C2)C1 ZINC000248002186 464721242 /nfs/dbraw/zinc/72/12/42/464721242.db2.gz DLJRPAGYFPXDBV-MRXNPFEDSA-N 0 0 333.428 2.418 40 0 EEABRN Cc1nc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)cs1 ZINC000248044497 464726148 /nfs/dbraw/zinc/72/61/48/464726148.db2.gz PVDXHJSUQRVRFK-CQSZACIVSA-N 0 0 332.429 2.099 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](Oc2ccccn2)CS3)n(C)n1 ZINC000248075623 464727627 /nfs/dbraw/zinc/72/76/27/464727627.db2.gz YVCGCQYCMPGMPG-OAHLLOKOSA-N 0 0 330.457 2.262 40 0 EEABRN Cc1ccc(CN2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100210 464728750 /nfs/dbraw/zinc/72/87/50/464728750.db2.gz NUEJYBTUKRXYIW-SJLPKXTDSA-N 0 0 346.452 2.234 40 0 EEABRN Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000248114267 464730937 /nfs/dbraw/zinc/73/09/37/464730937.db2.gz IGUXWLSZBCNQJC-SZMVWBNQSA-N 0 0 342.418 2.448 40 0 EEABRN Cc1ccc(CC(=O)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000274883452 464758175 /nfs/dbraw/zinc/75/81/75/464758175.db2.gz ZSRKKEQSWGYGAC-UHFFFAOYSA-N 0 0 325.412 2.086 40 0 EEABRN CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)NC(C)(C)C)C2)c(=O)c1 ZINC000252491709 464966655 /nfs/dbraw/zinc/96/66/55/464966655.db2.gz LRHFJKJUCZDLFX-AWEZNQCLSA-N 0 0 349.479 2.233 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)CC)[C@H]1c1cccc(F)c1 ZINC000252514106 464978557 /nfs/dbraw/zinc/97/85/57/464978557.db2.gz BGVRUTQGUXDWCA-NFAWXSAZSA-N 0 0 345.461 2.035 40 0 EEABRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000184568908 464999157 /nfs/dbraw/zinc/99/91/57/464999157.db2.gz FDVJTDQUPCYHDZ-JZXOWHBKSA-N 0 0 348.443 2.430 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000253394806 464999439 /nfs/dbraw/zinc/99/94/39/464999439.db2.gz DVDHQNJAFJKSRG-HYVNUMGLSA-N 0 0 340.427 2.329 40 0 EEABRN Cc1c([C@H](C)NC(=O)c2ccccc2S[C@H](C)C(N)=O)cnn1C ZINC000253397863 465001617 /nfs/dbraw/zinc/00/16/17/465001617.db2.gz DOLOCZVNOGSDTQ-CMPLNLGQSA-N 0 0 346.456 2.185 40 0 EEABRN Cc1nc2c(c(N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)n1)CCCC2 ZINC000253425694 465010604 /nfs/dbraw/zinc/01/06/04/465010604.db2.gz BOWGPBZPOLJZER-RHSMWYFYSA-N 0 0 341.459 2.347 40 0 EEABRN CCCNc1nnc(S[C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000253429248 465012677 /nfs/dbraw/zinc/01/26/77/465012677.db2.gz QCFMHDVISHWNIW-NSHDSACASA-N 0 0 342.490 2.232 40 0 EEABRN Cc1nc(C)c(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1 ZINC000253433533 465015150 /nfs/dbraw/zinc/01/51/50/465015150.db2.gz YAPGMNUWUINZAH-SNVBAGLBSA-N 0 0 342.321 2.499 40 0 EEABRN Cc1noc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2c2ccccc2)n1 ZINC000253473381 465016322 /nfs/dbraw/zinc/01/63/22/465016322.db2.gz UMGCXMCMQQGEFK-OWCLPIDISA-N 0 0 327.384 2.124 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000253473735 465016335 /nfs/dbraw/zinc/01/63/35/465016335.db2.gz XYYIPIADDLUJLU-HNNXBMFYSA-N 0 0 326.400 2.180 40 0 EEABRN O=C(N[C@@H]1CCn2nccc2C1)C1(c2ccccc2)CCOCC1 ZINC000253473744 465016371 /nfs/dbraw/zinc/01/63/71/465016371.db2.gz YBROFLUXFNNALK-MRXNPFEDSA-N 0 0 325.412 2.063 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCc1cccc(Cl)c1 ZINC000339549983 465341806 /nfs/dbraw/zinc/34/18/06/465341806.db2.gz ZZJAWUXZUJKPHM-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN Cc1cc(C)n([C@H](C)CC(=O)N2CCNC(=O)[C@H]2c2cccs2)n1 ZINC000331443580 466087835 /nfs/dbraw/zinc/08/78/35/466087835.db2.gz LBXAAFMJPJNWBX-CZUORRHYSA-N 0 0 346.456 2.212 40 0 EEABRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000331538477 466130247 /nfs/dbraw/zinc/13/02/47/466130247.db2.gz MLVRVYLOQOWJBT-ZFWWWQNUSA-N 0 0 340.420 2.168 40 0 EEABRN CC(C)(C)CCCC(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000331831782 466263017 /nfs/dbraw/zinc/26/30/17/466263017.db2.gz KFEMVNIAQAVBEO-AWEZNQCLSA-N 0 0 329.448 2.959 40 0 EEABRN CCN1C[C@@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143625 466493571 /nfs/dbraw/zinc/49/35/71/466493571.db2.gz YHAHWYYQMUUPTO-PKOBYXMFSA-N 0 0 329.444 2.396 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408595277 466682038 /nfs/dbraw/zinc/68/20/38/466682038.db2.gz URUJHOJOTWAXMQ-QWHCGFSZSA-N 0 0 342.461 2.055 40 0 EEABRN O=C(c1ccco1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829867 467412528 /nfs/dbraw/zinc/41/25/28/467412528.db2.gz HDQMJVSOPPIIMF-OAHLLOKOSA-N 0 0 337.372 2.421 40 0 EEABRN O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000528541746 467698866 /nfs/dbraw/zinc/69/88/66/467698866.db2.gz JEMXSHZYCJMLGN-BHYGNILZSA-N 0 0 342.420 2.025 40 0 EEABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000575403255 468140893 /nfs/dbraw/zinc/14/08/93/468140893.db2.gz GOOPQDZFSGIIGM-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN Cc1ccsc1CCC(=O)NCc1nccnc1-c1cnn(C)c1 ZINC000575606609 468146471 /nfs/dbraw/zinc/14/64/71/468146471.db2.gz NHHXSSHXUXZELH-UHFFFAOYSA-N 0 0 341.440 2.496 40 0 EEABRN C[C@H](C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000572099409 468884202 /nfs/dbraw/zinc/88/42/02/468884202.db2.gz MPMOUAUYDWOSJV-LBPRGKRZSA-N 0 0 338.835 2.451 40 0 EEABRN O=S(=O)(c1cncc(F)c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000585091947 468962102 /nfs/dbraw/zinc/96/21/02/468962102.db2.gz SQONUUROKLIJQF-OAHLLOKOSA-N 0 0 340.351 2.122 40 0 EEABRN O=C(CC1CC1)N1C[C@@]2(CCN(c3cccnc3)C2=O)CC(F)(F)C1 ZINC000585093072 468962457 /nfs/dbraw/zinc/96/24/57/468962457.db2.gz YBPVRHJFGRWBHY-QGZVFWFLSA-N 0 0 349.381 2.472 40 0 EEABRN c1coc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1 ZINC000585096743 468964459 /nfs/dbraw/zinc/96/44/59/468964459.db2.gz BTOVBWBVLFXDTD-OAHLLOKOSA-N 0 0 325.372 2.120 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@H](C)C2 ZINC000585097087 468965913 /nfs/dbraw/zinc/96/59/13/468965913.db2.gz FQCNBVVTULAPBT-GFCCVEGCSA-N 0 0 340.383 2.258 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000585099066 468967167 /nfs/dbraw/zinc/96/71/67/468967167.db2.gz HLBJKTXXORIKDG-UZYOAWRESA-N 0 0 343.452 2.358 40 0 EEABRN CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C3(F)CCC3)C2)C1=O ZINC000585106729 468972114 /nfs/dbraw/zinc/97/21/14/468972114.db2.gz GQOGJYRHTQWCKF-QAPCUYQASA-N 0 0 330.403 2.353 40 0 EEABRN CN1C[C@]2(CC1=O)COCCN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104516 468972553 /nfs/dbraw/zinc/97/25/53/468972553.db2.gz ORHGQFLEXZRRBN-INIZCTEOSA-N 0 0 342.361 2.386 40 0 EEABRN O=C(N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21)C1(F)CCC1 ZINC000585108658 468974046 /nfs/dbraw/zinc/97/40/46/468974046.db2.gz RNHAPYAFANCTKX-PMPSAXMXSA-N 0 0 334.391 2.249 40 0 EEABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccncc1 ZINC000585111324 468974932 /nfs/dbraw/zinc/97/49/32/468974932.db2.gz ONDZJWWRCQAOMY-SFHVURJKSA-N 0 0 348.406 2.370 40 0 EEABRN O=C(CC1CC1)NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 ZINC000585112212 468975071 /nfs/dbraw/zinc/97/50/71/468975071.db2.gz LNMFUEMFOYHVTI-KRWDZBQOSA-N 0 0 339.443 2.141 40 0 EEABRN Cc1nc(C(=O)NCC[C@@H]2CN(C(C)C)Cc3ccnn32)cs1 ZINC000585112697 468976582 /nfs/dbraw/zinc/97/65/82/468976582.db2.gz VMRVWLQQDYVYNM-CYBMUJFWSA-N 0 0 333.461 2.233 40 0 EEABRN O=C(Nc1cc(-c2ccncc2)[nH]n1)N[C@H](C1CC1)C(F)(F)F ZINC000585141769 468992270 /nfs/dbraw/zinc/99/22/70/468992270.db2.gz XVPSNJFAIBTOQF-GFCCVEGCSA-N 0 0 325.294 2.934 40 0 EEABRN CNC(=O)c1cccc([C@H]2CNCCN2C(=O)/C=C/c2ccccc2)c1 ZINC000585182477 468995095 /nfs/dbraw/zinc/99/50/95/468995095.db2.gz JTWJXBXAHCAWAT-GNISGLHKSA-N 0 0 349.434 2.233 40 0 EEABRN O=C(COc1ccccc1F)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585271663 468996747 /nfs/dbraw/zinc/99/67/47/468996747.db2.gz IFOCFLDATCSALJ-LJQANCHMSA-N 0 0 345.370 2.247 40 0 EEABRN O=C(Cc1ccccc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585269365 468997314 /nfs/dbraw/zinc/99/73/14/468997314.db2.gz QLHQKDNRBZCTTB-FQEVSTJZSA-N 0 0 343.398 2.201 40 0 EEABRN Cc1ccn(CCC(=O)N2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000585273599 468998686 /nfs/dbraw/zinc/99/86/86/468998686.db2.gz XDIJTULPWFIXNE-AEFFLSMTSA-N 0 0 345.418 2.173 40 0 EEABRN CCn1ccc(C(=O)N2CC[C@](COc3ccc(F)cc3)(OC)C2)n1 ZINC000585277049 469002396 /nfs/dbraw/zinc/00/23/96/469002396.db2.gz LDMREWRVDNZHNL-SFHVURJKSA-N 0 0 347.390 2.352 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)C2CCOCC2)C1 ZINC000585279287 469005226 /nfs/dbraw/zinc/00/52/26/469005226.db2.gz YXXFJKFCONTCLC-IBGZPJMESA-N 0 0 333.428 2.418 40 0 EEABRN O=C(c1cnc(C2CC2)nc1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585280950 469008348 /nfs/dbraw/zinc/00/83/48/469008348.db2.gz QPZGTSHMVIWEOJ-SJLPKXTDSA-N 0 0 337.423 2.420 40 0 EEABRN CS(=O)(=O)c1ccc2ncnc(N3CCO[C@@H](C4CCC4)C3)c2c1 ZINC000665742799 472167985 /nfs/dbraw/zinc/16/79/85/472167985.db2.gz OYMCVIAYEVLSBP-MRXNPFEDSA-N 0 0 347.440 2.039 40 0 EEABRN CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ncccn1 ZINC000684844211 486016631 /nfs/dbraw/zinc/01/66/31/486016631.db2.gz MNARHGVFSWPJLC-UHFFFAOYSA-N 0 0 337.383 2.497 40 0 EEABRN CC(C)(C(=O)NCCCc1cccc(F)c1)S(=O)(=O)C1CC1 ZINC000225810454 534329997 /nfs/dbraw/zinc/32/99/97/534329997.db2.gz JYRCLSFTUMMAIG-UHFFFAOYSA-N 0 0 327.421 2.230 40 0 EEABRN O=C(Cn1nccc1-c1ccncc1)NC[C@H]1Cc2ccccc2O1 ZINC000096475713 527426679 /nfs/dbraw/zinc/42/66/79/527426679.db2.gz QBRQFHOLKSMKSN-MRXNPFEDSA-N 0 0 334.379 2.065 40 0 EEABRN CCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 ZINC000225884605 535157946 /nfs/dbraw/zinc/15/79/46/535157946.db2.gz PTCABCXKIDJGQB-UHFFFAOYSA-N 0 0 334.493 2.373 40 0 EEABRN CN(C)Cc1nccnc1C1CCN(C(=O)c2cscn2)CC1 ZINC000257201730 536064784 /nfs/dbraw/zinc/06/47/84/536064784.db2.gz AIUWWZSQBNURNH-UHFFFAOYSA-N 0 0 331.445 2.015 40 0 EEABRN COCCNC(=O)c1cn2c(n1)[C@H](C)N(Cc1sccc1C)CC2 ZINC000253599497 536891173 /nfs/dbraw/zinc/89/11/73/536891173.db2.gz QQEMGVWRRDBTDO-ZDUSSCGKSA-N 0 0 348.472 2.206 40 0 EEABRN CCc1ncc(NC(=O)N2C[C@@H](Cc3ccccc3)[C@H](O)C2)cn1 ZINC000930493341 1206562462 /nfs/dbraw/zinc/56/24/62/1206562462.db2.gz PMXFZINJHFZPKU-GDBMZVCRSA-N 0 0 326.400 2.106 40 0 EEABRN COc1nccc(C(=O)N2CCc3cccc(Br)c3C2)n1 ZINC000933124088 1207728764 /nfs/dbraw/zinc/72/87/64/1207728764.db2.gz VUTYCUMWZDPVMZ-UHFFFAOYSA-N 0 0 348.200 2.446 40 0 EEABRN Cc1cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)ncc1Cl ZINC000041107429 1352494281 /nfs/dbraw/zinc/49/42/81/1352494281.db2.gz YLTHVDOMKCGUPA-UHFFFAOYSA-N 0 0 328.759 2.461 40 0 EEABRN CCN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000050122748 214046808 /nfs/dbraw/zinc/04/68/08/214046808.db2.gz QKVHYDRLJVXWQU-HNNXBMFYSA-N 0 0 345.487 2.267 40 0 EEABRN CC(=O)Nc1ccc(OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000051386892 214092106 /nfs/dbraw/zinc/09/21/06/214092106.db2.gz IKMRZDVPMLCXJJ-CJNGLKHVSA-N 0 0 334.397 2.004 40 0 EEABRN COc1ccc(OCCNC(=O)C(=O)Nc2ccc(C)cc2)cc1 ZINC000052554768 214133424 /nfs/dbraw/zinc/13/34/24/214133424.db2.gz TXUQHZSTABJYGZ-UHFFFAOYSA-N 0 0 328.368 2.137 40 0 EEABRN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000055651170 214336317 /nfs/dbraw/zinc/33/63/17/214336317.db2.gz WINGJLDIQUQFBO-UHFFFAOYSA-N 0 0 336.344 2.096 40 0 EEABRN CCc1ccc(CNC(=O)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000408708235 529646418 /nfs/dbraw/zinc/64/64/18/529646418.db2.gz WDVQUYUBVIAWTR-UHFFFAOYSA-N 0 0 340.423 2.233 40 0 EEABRN COc1ccccc1NC(=O)CCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004554517 210220804 /nfs/dbraw/zinc/22/08/04/210220804.db2.gz KHWAXCQXYPEYPX-OGRXGRENSA-N 0 0 342.395 2.055 40 0 EEABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCCc1nc(-c2ccncc2)no1 ZINC000100459457 219099574 /nfs/dbraw/zinc/09/95/74/219099574.db2.gz LVNTXTITPASGGJ-OKILXGFUSA-N 0 0 340.383 2.239 40 0 EEABRN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C(C)=O)CC2)nn1C ZINC000100687625 219104171 /nfs/dbraw/zinc/10/41/71/219104171.db2.gz KXMZZKATNVNUTN-IYBDPMFKSA-N 0 0 334.464 2.151 40 0 EEABRN Clc1ccc(C2=NON(c3ncccn3)[C@@H]3N=CC=CN23)cc1 ZINC000001591178 282506279 /nfs/dbraw/zinc/50/62/79/282506279.db2.gz FPLJLPSTAWKQCY-OAHLLOKOSA-N 0 0 326.747 2.427 40 0 EEABRN O=C(NCCCOc1ccccc1F)c1cccnc1-n1cncn1 ZINC000042655631 213522494 /nfs/dbraw/zinc/52/24/94/213522494.db2.gz RSSSBXSWPLEVFH-UHFFFAOYSA-N 0 0 341.346 2.000 40 0 EEABRN CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)C3CC3)CCO2)n1 ZINC000193955626 535150295 /nfs/dbraw/zinc/15/02/95/535150295.db2.gz KVLHBCVGZJYXBI-NSHDSACASA-N 0 0 330.475 2.306 40 0 EEABRN COc1ccccc1CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O ZINC000040776399 213384241 /nfs/dbraw/zinc/38/42/41/213384241.db2.gz GQRKCGUHDAESMY-GOSISDBHSA-N 0 0 326.352 2.101 40 0 EEABRN Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccco1 ZINC000040745745 213382203 /nfs/dbraw/zinc/38/22/03/213382203.db2.gz PXYQEVCLYNOJOM-UHFFFAOYSA-N 0 0 338.367 2.238 40 0 EEABRN COCCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000069381563 215394478 /nfs/dbraw/zinc/39/44/78/215394478.db2.gz GRHMKMMFACIPQY-NSHDSACASA-N 0 0 344.333 2.211 40 0 EEABRN COc1cccc(OC)c1OCCN1C(=O)c2ccccc2C1=O ZINC000001849799 209798700 /nfs/dbraw/zinc/79/87/00/209798700.db2.gz SOAGXBAFBFLZQA-UHFFFAOYSA-N 0 0 327.336 2.379 40 0 EEABRN O=C(N[C@H](c1cccs1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000040466607 213310460 /nfs/dbraw/zinc/31/04/60/213310460.db2.gz DJIBQZWOSBAFDA-ZFWWWQNUSA-N 0 0 335.450 2.388 40 0 EEABRN CCCn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O ZINC000040464837 213309588 /nfs/dbraw/zinc/30/95/88/213309588.db2.gz VPIHNFGCZNVFSR-UHFFFAOYSA-N 0 0 340.383 2.032 40 0 EEABRN CC(=O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC000039979702 213247861 /nfs/dbraw/zinc/24/78/61/213247861.db2.gz SUPWOTRDKATTKJ-UHFFFAOYSA-N 0 0 347.392 2.139 40 0 EEABRN COCCNC(=O)N1CCN(c2nc3c(s2)c(C)ccc3C)CC1 ZINC000038550972 213215346 /nfs/dbraw/zinc/21/53/46/213215346.db2.gz SOEGLJNNHMMLAF-UHFFFAOYSA-N 0 0 348.472 2.391 40 0 EEABRN Nc1nc(-c2cccnc2)cc(-c2cc(-c3cccnc3)nc(N)n2)n1 ZINC000037868624 213171633 /nfs/dbraw/zinc/17/16/33/213171633.db2.gz ZINXVGZOQNHSCH-UHFFFAOYSA-N 0 0 342.366 2.222 40 0 in-vitro EEABRN Cn1c(CCN2C(=O)c3cccc4cccc(c43)C2=O)n[nH]c1=S ZINC000036644162 213107679 /nfs/dbraw/zinc/10/76/79/213107679.db2.gz VLWNFPGWVSRPDN-UHFFFAOYSA-N 0 0 338.392 2.470 40 0 EEABRN CCn1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)n1 ZINC000071195892 215743728 /nfs/dbraw/zinc/74/37/28/215743728.db2.gz BUGLCHZYELQCEI-AWEZNQCLSA-N 0 0 336.399 2.291 40 0 EEABRN Cc1nn(C)cc1C(=O)OCCNc1ccc(-c2ccccc2)nn1 ZINC000096460988 237059821 /nfs/dbraw/zinc/05/98/21/237059821.db2.gz OHUUWTPIHKVATP-UHFFFAOYSA-N 0 0 337.383 2.454 40 0 EEABRN COc1ccc(-c2csc(CNC(=O)c3ccnn3C)n2)cc1 ZINC000072264896 216086262 /nfs/dbraw/zinc/08/62/62/216086262.db2.gz MCVGATUPMWEDGZ-UHFFFAOYSA-N 0 0 328.397 2.482 40 0 EEABRN Cc1nc2cc(C(=O)N[C@@H](C)Cn3nnc4ccccc43)ccc2n1C ZINC000072324200 216151667 /nfs/dbraw/zinc/15/16/67/216151667.db2.gz VDAOGZINLYGETE-LBPRGKRZSA-N 0 0 348.410 2.445 40 0 EEABRN CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)C(C)C)cc2)[C@H]1CO ZINC000072321137 216149680 /nfs/dbraw/zinc/14/96/80/216149680.db2.gz IXWHLJBPSUJOHN-SJLPKXTDSA-N 0 0 348.443 2.198 40 0 biogenic,in-vitro EEABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCC=CO2)C3)C1 ZINC000072335624 216156789 /nfs/dbraw/zinc/15/67/89/216156789.db2.gz UDDYDAGEKVJNBO-CABCVRRESA-N 0 0 344.459 2.057 40 0 EEABRN Cc1cccc(CCC(=O)N2CCC(O)(c3cccnc3F)CC2)n1 ZINC000072340040 216158494 /nfs/dbraw/zinc/15/84/94/216158494.db2.gz GFTUGWRYRZBRRS-UHFFFAOYSA-N 0 0 343.402 2.367 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H](Cc3ccc(NC)nn3)C2)on1 ZINC000072369234 216176399 /nfs/dbraw/zinc/17/63/99/216176399.db2.gz NCBGAEAXFOWAGJ-GFCCVEGCSA-N 0 0 329.404 2.164 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C(C)C)n1 ZINC000072378466 216181587 /nfs/dbraw/zinc/18/15/87/216181587.db2.gz XWOXKTUCWOADIY-AWEZNQCLSA-N 0 0 329.404 2.096 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000072388333 216188339 /nfs/dbraw/zinc/18/83/39/216188339.db2.gz PKPJFBZZCKJLKD-QGZVFWFLSA-N 0 0 325.412 2.127 40 0 EEABRN C[C@@]1(c2n[nH]cc2S(C)(=O)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000072388756 216190237 /nfs/dbraw/zinc/19/02/37/216190237.db2.gz MRGGXSVOJBRBIQ-QGZVFWFLSA-N 0 0 347.440 2.007 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408709624 238297635 /nfs/dbraw/zinc/29/76/35/238297635.db2.gz VNKBYONFMKXGAR-DOMZBBRYSA-N 0 0 343.427 2.212 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000072846838 216314444 /nfs/dbraw/zinc/31/44/44/216314444.db2.gz GVUCZZMDCAYGQH-GFCCVEGCSA-N 0 0 326.805 2.314 40 0 EEABRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(=O)n(C)c1 ZINC000191316336 239036076 /nfs/dbraw/zinc/03/60/76/239036076.db2.gz RSHIEXDGMSQJTQ-UHFFFAOYSA-N 0 0 328.412 2.453 40 0 EEABRN C[C@@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@H](C)O1 ZINC000192666984 239828449 /nfs/dbraw/zinc/82/84/49/239828449.db2.gz ITFWMVJMBQYCKH-AOOOYVTPSA-N 0 0 349.328 2.325 40 0 EEABRN COc1ccc([C@@H](NC(=O)Cn2cc(F)ccc2=O)C2CC2)cc1 ZINC000193724399 240282925 /nfs/dbraw/zinc/28/29/25/240282925.db2.gz HEZXUXOVAXFMKH-SFHVURJKSA-N 0 0 330.359 2.264 40 0 EEABRN O=C(c1nc2cccnc2s1)N1CCN(c2cccs2)C(=O)C1 ZINC000194021199 240406079 /nfs/dbraw/zinc/40/60/79/240406079.db2.gz GUMGYDNZKBFDRL-UHFFFAOYSA-N 0 0 344.421 2.242 40 0 EEABRN O=C(NCc1c(F)cccc1OC(F)F)NC[C@H]1CC[C@@H](O)C1 ZINC000195578370 241024211 /nfs/dbraw/zinc/02/42/11/241024211.db2.gz FDUJRSSOPSGFRY-VHSXEESVSA-N 0 0 332.322 2.387 40 0 EEABRN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1sc(C)nc1C)C3 ZINC000208036917 241064950 /nfs/dbraw/zinc/06/49/50/241064950.db2.gz KYJQIURWBYGQDM-UHFFFAOYSA-N 0 0 327.413 2.310 40 0 EEABRN O=C(COc1ncccn1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000224284728 241746747 /nfs/dbraw/zinc/74/67/47/241746747.db2.gz KCWVDIPKPSTZTB-UHFFFAOYSA-N 0 0 341.302 2.216 40 0 EEABRN COCc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 ZINC000223863084 241700519 /nfs/dbraw/zinc/70/05/19/241700519.db2.gz WYJBHKGDJBYQPV-UHFFFAOYSA-N 0 0 348.424 2.481 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000225716181 242001573 /nfs/dbraw/zinc/00/15/73/242001573.db2.gz CHUXZRIJLTWQII-CYBMUJFWSA-N 0 0 342.380 2.407 40 0 EEABRN COCCCNC(=S)Nc1nc(Cl)cc(N2CCCC2)n1 ZINC000225902502 242076189 /nfs/dbraw/zinc/07/61/89/242076189.db2.gz XEWARLNBEFZDEZ-UHFFFAOYSA-N 0 0 329.857 2.053 40 0 EEABRN O=C(NCCCOC(F)F)NCc1ccc(Br)o1 ZINC000225760050 242022479 /nfs/dbraw/zinc/02/24/79/242022479.db2.gz UCPQDHBWRSYFRG-UHFFFAOYSA-N 0 0 327.125 2.471 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)N3CCC[C@@H](C)C3)nn2)c1 ZINC000227160547 242124940 /nfs/dbraw/zinc/12/49/40/242124940.db2.gz MLPPONAXGNNCTM-OAHLLOKOSA-N 0 0 328.416 2.424 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1 ZINC000242324316 243018132 /nfs/dbraw/zinc/01/81/32/243018132.db2.gz ZAAPBERQMJYCFQ-QWHCGFSZSA-N 0 0 349.818 2.354 40 0 EEABRN Cc1ccc(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)cc1 ZINC000243669840 243027599 /nfs/dbraw/zinc/02/75/99/243027599.db2.gz PDHUKYZKBFUIAV-UHFFFAOYSA-N 0 0 336.457 2.280 40 0 EEABRN O=C(Cc1ccccc1)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000247884115 243471206 /nfs/dbraw/zinc/47/12/06/243471206.db2.gz WMIIZXYTKYNSKG-QGZVFWFLSA-N 0 0 338.407 2.463 40 0 EEABRN Cc1cn2c(n1)CC[C@@H](NC(=O)CSCc1c(C)noc1C)C2 ZINC000253392278 243887572 /nfs/dbraw/zinc/88/75/72/243887572.db2.gz LEMZRMJAFHWSAM-CYBMUJFWSA-N 0 0 334.445 2.161 40 0 EEABRN O=C(Cn1ccc2ccc(Cl)cc21)N1CCO[C@@H](c2ncon2)C1 ZINC000253430088 243981020 /nfs/dbraw/zinc/98/10/20/243981020.db2.gz PTGYITZIYHHHEB-CQSZACIVSA-N 0 0 346.774 2.278 40 0 EEABRN COc1cccc(O[C@H]2CCN(C(=O)c3coc(C)n3)CC[C@@H]2O)c1 ZINC000257200043 244114452 /nfs/dbraw/zinc/11/44/52/244114452.db2.gz ABUGYIGJXDLDCW-IRXDYDNUSA-N 0 0 346.383 2.036 40 0 EEABRN O=C(CCn1nnc2ccccc21)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257210512 244150329 /nfs/dbraw/zinc/15/03/29/244150329.db2.gz BUYOQEKSMHBALL-CQSZACIVSA-N 0 0 338.415 2.026 40 0 EEABRN Cn1cncc1-c1cncc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000257215720 244167192 /nfs/dbraw/zinc/16/71/92/244167192.db2.gz CRIGJFGBOWWYMS-UHFFFAOYSA-N 0 0 348.410 2.292 40 0 EEABRN Cn1cncc1-c1nccnc1CC1CCN(c2ncccn2)CC1 ZINC000257232262 244216241 /nfs/dbraw/zinc/21/62/41/244216241.db2.gz GKAQPRSIFLTBJL-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccccc2F)n1 ZINC000257244993 244254916 /nfs/dbraw/zinc/25/49/16/244254916.db2.gz INRDCOGDYDQFOS-QGZVFWFLSA-N 0 0 342.374 2.229 40 0 EEABRN CN(C)C(=O)CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257247003 244261159 /nfs/dbraw/zinc/26/11/59/244261159.db2.gz IWXSBIYUKHZNTF-IKGGRYGDSA-N 0 0 347.434 2.088 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)ccn1 ZINC000257260590 244347408 /nfs/dbraw/zinc/34/74/08/244347408.db2.gz LDMVVQDSYMLZBO-HNNXBMFYSA-N 0 0 327.432 2.412 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccc(F)c3)CC2)co1 ZINC000257292228 244436834 /nfs/dbraw/zinc/43/68/34/244436834.db2.gz QKOOXRPBPKTXCP-HOTGVXAUSA-N 0 0 334.347 2.167 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 ZINC000257321932 244520347 /nfs/dbraw/zinc/52/03/47/244520347.db2.gz WDXDLDCDUNASGD-CQSZACIVSA-N 0 0 332.429 2.031 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868854 212077169 /nfs/dbraw/zinc/07/71/69/212077169.db2.gz HRLCNZFJVOYUFX-OLZOCXBDSA-N 0 0 344.502 2.454 40 0 EEABRN CCn1cc(CN2CCN(C(=O)C3[C@@H]4CCCC[C@H]34)CC2)c(C)n1 ZINC000019524564 212037988 /nfs/dbraw/zinc/03/79/88/212037988.db2.gz GRUYFDNHGQDMER-JWTNVVGKSA-N 0 0 330.476 2.292 40 0 EEABRN Cc1cc(NC(=O)CN2CCC(Oc3cccc(F)c3)CC2)nn1C ZINC000019119114 212001038 /nfs/dbraw/zinc/00/10/38/212001038.db2.gz QKHANJQEMOHPQU-UHFFFAOYSA-N 0 0 346.406 2.350 40 0 EEABRN O=c1oc2ccccc2n1CCCSCc1nnnn1C1CC1 ZINC000078555680 217076423 /nfs/dbraw/zinc/07/64/23/217076423.db2.gz AWTIZJCJHFZZRW-UHFFFAOYSA-N 0 0 331.401 2.239 40 0 EEABRN CCOc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)cc1 ZINC000078556733 217076820 /nfs/dbraw/zinc/07/68/20/217076820.db2.gz JRDLFMOTYLROPO-UHFFFAOYSA-N 0 0 344.396 2.467 40 0 EEABRN CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000017170044 211957464 /nfs/dbraw/zinc/95/74/64/211957464.db2.gz MWCYEOUINYJVQL-UHFFFAOYSA-N 0 0 327.384 2.288 40 0 EEABRN O=C(COc1ccccc1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000078997837 217170277 /nfs/dbraw/zinc/17/02/77/217170277.db2.gz ORIKNRSAVOCLHH-OAHLLOKOSA-N 0 0 328.343 2.126 40 0 EEABRN CCN(C(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000079035912 217178551 /nfs/dbraw/zinc/17/85/51/217178551.db2.gz CRNBTOLNYLDKAU-RYUDHWBXSA-N 0 0 330.425 2.351 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCO[C@H](C)C2)sc1Br ZINC000081037683 217354904 /nfs/dbraw/zinc/35/49/04/217354904.db2.gz DNSWKDGSPJAFRT-MRVPVSSYSA-N 0 0 340.264 2.228 40 0 EEABRN CN1CC[C@@H](Nc2cccc(CS(=O)(=O)c3ccccc3)c2)C1=O ZINC000081158265 217365956 /nfs/dbraw/zinc/36/59/56/217365956.db2.gz CYDQJMUSQZCZAI-QGZVFWFLSA-N 0 0 344.436 2.303 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCC(COc2ccccn2)CC1 ZINC000081445758 217398733 /nfs/dbraw/zinc/39/87/33/217398733.db2.gz RHYAVRCONAHWSY-UHFFFAOYSA-N 0 0 328.416 2.363 40 0 EEABRN COc1cccc(C[C@H](C)NC(=O)C2(O)Cc3ccccc3C2)c1 ZINC000081393041 217391973 /nfs/dbraw/zinc/39/19/73/217391973.db2.gz PSTVJLAMWNLCEK-AWEZNQCLSA-N 0 0 325.408 2.272 40 0 EEABRN CC(C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000012407844 211370143 /nfs/dbraw/zinc/37/01/43/211370143.db2.gz VZARZJXJPKBOKS-NWDGAFQWSA-N 0 0 327.379 2.163 40 0 EEABRN CCc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)on1 ZINC000012234606 211326545 /nfs/dbraw/zinc/32/65/45/211326545.db2.gz YIYFOJVYPJWVSN-UHFFFAOYSA-N 0 0 337.383 2.370 40 0 EEABRN Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000012199837 211318365 /nfs/dbraw/zinc/31/83/65/211318365.db2.gz VVZDEPRBUAOMLD-UHFFFAOYSA-N 0 0 344.392 2.449 40 0 EEABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)c1nccc2ccccc21 ZINC000012114882 211294763 /nfs/dbraw/zinc/29/47/63/211294763.db2.gz LZLLWMVEBXGKKT-UHFFFAOYSA-N 0 0 344.378 2.387 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2)c1=O ZINC000012146583 211306449 /nfs/dbraw/zinc/30/64/49/211306449.db2.gz GKANAUZEFQLCNS-UHFFFAOYSA-N 0 0 326.381 2.193 40 0 EEABRN Cc1ccc(F)cc1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O ZINC000012146609 211305621 /nfs/dbraw/zinc/30/56/21/211305621.db2.gz UOSSKAZKCWLDAL-UHFFFAOYSA-N 0 0 342.330 2.172 40 0 EEABRN O=C(NCCO)C1(Cc2ccccc2-c2cccnc2)CCOCC1 ZINC000012088966 211289503 /nfs/dbraw/zinc/28/95/03/211289503.db2.gz VUGZVZXAMMWEDY-UHFFFAOYSA-N 0 0 340.423 2.196 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)Cn1cccn1 ZINC000091622509 218033276 /nfs/dbraw/zinc/03/32/76/218033276.db2.gz HHYGSIYDHQDUFG-WFASDCNBSA-N 0 0 330.436 2.406 40 0 EEABRN O=c1[n-]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n[nH]1 ZINC000092616905 218155105 /nfs/dbraw/zinc/15/51/05/218155105.db2.gz NUQVSFKQUWZNLX-UHFFFAOYSA-N 0 0 349.438 2.005 40 0 EEABRN CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000095101336 218281827 /nfs/dbraw/zinc/28/18/27/218281827.db2.gz HSCYOJPAYHEMHB-DHSIGJKJSA-N 0 0 348.374 2.261 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2 ZINC000095400809 218335693 /nfs/dbraw/zinc/33/56/93/218335693.db2.gz SSDMMOQOPAAYCH-HUUCEWRRSA-N 0 0 344.415 2.196 40 0 EEABRN CC[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)[C@H]1CCCO1 ZINC000095440350 218384846 /nfs/dbraw/zinc/38/48/46/218384846.db2.gz YCQGADLDBCLQDZ-WDEREUQCSA-N 0 0 334.342 2.196 40 0 EEABRN Cc1nc(Cn2cc(I)cc(C)c2=O)oc1C ZINC000095441020 218385576 /nfs/dbraw/zinc/38/55/76/218385576.db2.gz RWBPGPZDBODIAV-UHFFFAOYSA-N 0 0 344.152 2.414 40 0 EEABRN O=C(NCC1(c2ccccc2Cl)CCC1)N1CCNC(=O)CC1 ZINC000095453755 218397642 /nfs/dbraw/zinc/39/76/42/218397642.db2.gz HYVGNPYMYZEUTH-UHFFFAOYSA-N 0 0 335.835 2.293 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000226603715 296309862 /nfs/dbraw/zinc/30/98/62/296309862.db2.gz LWKYYJFERTWKLC-JLZZUVOBSA-N 0 0 334.391 2.125 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(OC)cc1 ZINC000096060555 218553887 /nfs/dbraw/zinc/55/38/87/218553887.db2.gz JCJNXRKFYHDMAX-SFHVURJKSA-N 0 0 342.443 2.443 40 0 EEABRN COCc1cncc2c1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096189291 218658742 /nfs/dbraw/zinc/65/87/42/218658742.db2.gz LKOMFYWCCRYFOY-UHFFFAOYSA-N 0 0 326.352 2.155 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096226924 218703176 /nfs/dbraw/zinc/70/31/76/218703176.db2.gz OAQUFLMWZNDZOZ-YJBOKZPZSA-N 0 0 328.416 2.384 40 0 EEABRN O=C(OCc1nnnn1-c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000096408986 218761931 /nfs/dbraw/zinc/76/19/31/218761931.db2.gz RUDOWCUYAJYYMO-UHFFFAOYSA-N 0 0 346.350 2.205 40 0 EEABRN CCn1nc(C)cc1C(=O)NC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000096409680 218763125 /nfs/dbraw/zinc/76/31/25/218763125.db2.gz MNQBDSLXFCRENE-AWEZNQCLSA-N 0 0 339.342 2.276 40 0 EEABRN Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccn(C(C)C)n2)c1 ZINC000096416126 218776621 /nfs/dbraw/zinc/77/66/21/218776621.db2.gz CAAAQPVZQWMUIO-UHFFFAOYSA-N 0 0 328.416 2.378 40 0 EEABRN COc1cc(Cn2ccc(=O)c3ccccc32)ccc1S(C)(=O)=O ZINC000096421043 218785526 /nfs/dbraw/zinc/78/55/26/218785526.db2.gz CPBYHZRQFWJTOG-UHFFFAOYSA-N 0 0 343.404 2.462 40 0 EEABRN COCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1 ZINC000096146783 285073497 /nfs/dbraw/zinc/07/34/97/285073497.db2.gz RMUNWZCPHTVJNK-UHFFFAOYSA-N 0 0 330.409 2.327 40 0 EEABRN COc1ccc(-c2nnn(Cc3sc(C)nc3C)n2)cc1OC ZINC000096424798 218792649 /nfs/dbraw/zinc/79/26/49/218792649.db2.gz AKPFPUGXOQATRH-UHFFFAOYSA-N 0 0 331.401 2.479 40 0 EEABRN Cc1nccn1CCCCNS(=O)(=O)c1ccc(C)c(F)c1 ZINC000096428251 218801177 /nfs/dbraw/zinc/80/11/77/218801177.db2.gz KCMQKBKKAQELEO-UHFFFAOYSA-N 0 0 325.409 2.398 40 0 EEABRN C[C@@H](C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000096432204 218808045 /nfs/dbraw/zinc/80/80/45/218808045.db2.gz HBBIAQINGHQHIL-GHMZBOCLSA-N 0 0 339.442 2.046 40 0 EEABRN C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1 ZINC000096462588 218844774 /nfs/dbraw/zinc/84/47/74/218844774.db2.gz JPELHHKBEVUSGR-YOEHRIQHSA-N 0 0 349.456 2.422 40 0 EEABRN Cc1cc(C(=O)NC[C@H](C)[S@](C)=O)nn1-c1cc(C)cc(C)c1 ZINC000096495198 218872522 /nfs/dbraw/zinc/87/25/22/218872522.db2.gz HBLAELCHRJTNIS-LFVRLGFBSA-N 0 0 333.457 2.294 40 0 EEABRN Cc1ccc(OCC(=O)NCCCNC(=O)c2ccco2)cc1C ZINC000005015382 210362877 /nfs/dbraw/zinc/36/28/77/210362877.db2.gz VWVUEVKBJFDYDT-UHFFFAOYSA-N 0 0 330.384 2.212 40 0 EEABRN Cc1nc2c(nnn2Cc2ccccc2Cl)c(N2CCOCC2)n1 ZINC000004966674 210341860 /nfs/dbraw/zinc/34/18/60/210341860.db2.gz KYOTTXAHOWKTLC-UHFFFAOYSA-N 0 0 344.806 2.068 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)CC(C)(C)O ZINC000097233194 219001042 /nfs/dbraw/zinc/00/10/42/219001042.db2.gz XMSFUIANVNWMGG-VIFPVBQESA-N 0 0 335.370 2.395 40 0 EEABRN Cc1ccc(NC(=O)c2nnc(CN(C)c3cnn(C)c3)s2)cc1 ZINC000097236114 219001945 /nfs/dbraw/zinc/00/19/45/219001945.db2.gz QJYBLWIFNRDKRE-UHFFFAOYSA-N 0 0 342.428 2.469 40 0 EEABRN COc1cccc(C(=O)NC2CCN(C(=S)NCC(C)C)CC2)c1 ZINC000004888565 210313153 /nfs/dbraw/zinc/31/31/53/210313153.db2.gz UOCVQYQDWKPOEQ-UHFFFAOYSA-N 0 0 349.500 2.420 40 0 EEABRN O=c1[nH]c2c(Br)cc(Br)c(F)c2c(=O)o1 ZINC000238552898 285196938 /nfs/dbraw/zinc/19/69/38/285196938.db2.gz SYRAURCJTOREQU-UHFFFAOYSA-N 0 0 338.914 2.145 40 0 EEABRN CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 ZINC000072238246 285300233 /nfs/dbraw/zinc/30/02/33/285300233.db2.gz CSARYEUKLOWHAF-MJGOQNOKSA-N 0 0 343.471 2.069 40 0 EEABRN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000276049231 256398054 /nfs/dbraw/zinc/39/80/54/256398054.db2.gz SKQKVMJBPFPTOE-BXUZGUMPSA-N 0 0 333.413 2.189 40 0 EEABRN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCO[C@H](c2ccsc2)C1 ZINC000276049233 256398229 /nfs/dbraw/zinc/39/82/29/256398229.db2.gz SKQKVMJBPFPTOE-FZMZJTMJSA-N 0 0 333.413 2.189 40 0 EEABRN O=C(c1ccc(Cl)cc1Br)N1CCS(=O)CC1 ZINC000155137721 224365047 /nfs/dbraw/zinc/36/50/47/224365047.db2.gz NWYROUTWSDFZQP-UHFFFAOYSA-N 0 0 336.638 2.307 40 0 EEABRN CC1(C)CCC[C@@H]1NC(=O)NC[C@H](c1cccnc1)N1CCOCC1 ZINC000095408901 257834670 /nfs/dbraw/zinc/83/46/70/257834670.db2.gz OQBWNXQTOWXPPC-SJORKVTESA-N 0 0 346.475 2.333 40 0 EEABRN CC(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000040215642 258059839 /nfs/dbraw/zinc/05/98/39/258059839.db2.gz IEESTETUYPGMCH-UHFFFAOYSA-N 0 0 331.235 2.251 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191559032 533250448 /nfs/dbraw/zinc/25/04/48/533250448.db2.gz ARKZRHJQXBLOEQ-HIFRSBDPSA-N 0 0 345.443 2.035 40 0 EEABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000408650409 533354509 /nfs/dbraw/zinc/35/45/09/533354509.db2.gz BDHVPDPZXLRQHK-BCUHHRELSA-N 0 0 344.363 2.007 40 0 EEABRN CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000095447944 132822836 /nfs/dbraw/zinc/82/28/36/132822836.db2.gz DBJOERSMEDIVLD-HUUCEWRRSA-N 0 0 335.423 2.472 40 0 EEABRN O=C(c1ccccc1)N1CCN(c2ccc(-n3cnnc3)cc2)CC1 ZINC000045957388 135604290 /nfs/dbraw/zinc/60/42/90/135604290.db2.gz WBSRVMKJQWIXAB-UHFFFAOYSA-N 0 0 333.395 2.230 40 0 EEABRN CCc1cc(N2CCC[C@@H](O)C2)n2nc3nc(C)cc(C)c3c2n1 ZINC000012186235 135693255 /nfs/dbraw/zinc/69/32/55/135693255.db2.gz FZHBTWCMCDYZAA-CQSZACIVSA-N 0 0 325.416 2.418 40 0 EEABRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccco1 ZINC000103628711 285672446 /nfs/dbraw/zinc/67/24/46/285672446.db2.gz WSCWNLBNEYADCN-JJRVBVJISA-N 0 0 338.356 2.072 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)N3CCCCCC3)OCC(=O)N2C)cc1 ZINC000096181562 292279762 /nfs/dbraw/zinc/27/97/62/292279762.db2.gz MABHPSBHCVFLPL-ZWKOTPCHSA-N 0 0 330.428 2.296 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cccnc2)cc1 ZINC000257213090 286363555 /nfs/dbraw/zinc/36/35/55/286363555.db2.gz CGDLHQJJYMICPZ-IBGZPJMESA-N 0 0 325.412 2.496 40 0 EEABRN C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](O)Cc4ccccc43)ccc2O1 ZINC000278556415 274372261 /nfs/dbraw/zinc/37/22/61/274372261.db2.gz BABCOWLRYFDWEG-DOMZBBRYSA-N 0 0 345.420 2.122 40 0 EEABRN C[C@@H](C(=O)Nc1nnc2n1CCCC2)n1ccc2ccccc2c1=O ZINC000279210643 274452593 /nfs/dbraw/zinc/45/25/93/274452593.db2.gz NTPOMZCANUIQAY-LBPRGKRZSA-N 0 0 337.383 2.129 40 0 EEABRN Cn1c2[nH]c(C3c4ccccc4-c4ccccc43)nc2c(=O)n(C)c1=O ZINC000005893172 274889695 /nfs/dbraw/zinc/88/96/95/274889695.db2.gz JIXCXBXVZUKYQU-UHFFFAOYSA-N 0 0 344.374 2.121 40 0 EEABRN COc1ccc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1F ZINC000211131566 277880125 /nfs/dbraw/zinc/88/01/25/277880125.db2.gz RUQIGIKQPVXYLR-UHFFFAOYSA-N 0 0 335.360 2.219 40 0 EEABRN Cc1cnc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000241923319 279013132 /nfs/dbraw/zinc/01/31/32/279013132.db2.gz UEZQTNXBROBMOO-OAHLLOKOSA-N 0 0 327.384 2.152 40 0 EEABRN Cn1c2cc(C(=O)N3CCCC3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096146253 279315791 /nfs/dbraw/zinc/31/57/91/279315791.db2.gz CFDFUQFJKNELER-UHFFFAOYSA-N 0 0 345.424 2.177 40 0 EEABRN O=C(c1ccco1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F ZINC000000269787 280217194 /nfs/dbraw/zinc/21/71/94/280217194.db2.gz DYEQXVWEBBWOJR-CYBMUJFWSA-N 0 0 325.246 2.176 40 0 EEABRN Cc1nc([C@H]2CCCCN2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000257295453 281999384 /nfs/dbraw/zinc/99/93/84/281999384.db2.gz QYIODVVPPOUMCY-MRXNPFEDSA-N 0 0 337.427 2.474 40 0 EEABRN Cn1c(=O)oc2ccc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc21 ZINC000257231247 294146527 /nfs/dbraw/zinc/14/65/27/294146527.db2.gz GFXUCJOJPJRHAP-CYBMUJFWSA-N 0 0 326.356 2.222 40 0 EEABRN COc1ccccc1N1CCC(NC(=O)N2CCC[C@@H](O)[C@@H]2C)CC1 ZINC000297249502 294192408 /nfs/dbraw/zinc/19/24/08/294192408.db2.gz OHKFZNATGWPJNF-WMLDXEAASA-N 0 0 347.459 2.219 40 0 EEABRN O=C(C1C2CC3CC(C2)CC1C3)N1CCN(c2ncccn2)CC1 ZINC000069834617 295431434 /nfs/dbraw/zinc/43/14/34/295431434.db2.gz AKMXOFINGDAKBT-UHFFFAOYSA-N 0 0 326.444 2.198 40 0 EEABRN C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1csc2ccccc21 ZINC000096426439 299028079 /nfs/dbraw/zinc/02/80/79/299028079.db2.gz NHVWHMXASIYYQG-JTQLQIEISA-N 0 0 340.470 2.406 40 0 EEABRN Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2C)cc1 ZINC000022275291 301661707 /nfs/dbraw/zinc/66/17/07/301661707.db2.gz FAAMTLKLCBLRLW-UHFFFAOYSA-N 0 0 332.425 2.292 40 0 EEABRN O=C1N[C@H](C2CCOCC2)C(=O)N1CCc1nc2c(s1)CCCC2 ZINC000330282703 311738559 /nfs/dbraw/zinc/73/85/59/311738559.db2.gz VNOPMCDWAPGPCR-OAHLLOKOSA-N 0 0 349.456 2.116 40 0 EEABRN C[C@H]1CN(C(=O)C2CCN(CC(F)F)CC2)c2cccnc2O1 ZINC000410606875 312472682 /nfs/dbraw/zinc/47/26/82/312472682.db2.gz KQTWKGCMKYBKCL-NSHDSACASA-N 0 0 325.359 2.173 40 0 EEABRN O=C(N[C@H](n1cnccc1=O)C(Cl)(Cl)Cl)c1ccco1 ZINC000000369721 462557067 /nfs/dbraw/zinc/55/70/67/462557067.db2.gz HDOIQTGWOCZTOW-SNVBAGLBSA-N 0 0 336.562 2.135 40 0 EEABRN O=S(=O)(c1ccco1)N1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000188727824 464353181 /nfs/dbraw/zinc/35/31/81/464353181.db2.gz KJOHHHZDCHRRNE-AWEZNQCLSA-N 0 0 329.381 2.469 40 0 EEABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000000428947 462562654 /nfs/dbraw/zinc/56/26/54/462562654.db2.gz KFJPCVBUGDRWNW-CYBMUJFWSA-N 0 0 348.468 2.406 40 0 EEABRN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000001357913 462580510 /nfs/dbraw/zinc/58/05/10/462580510.db2.gz MHUWMLOUNHHCSV-OAHLLOKOSA-N 0 0 326.400 2.018 40 0 EEABRN COc1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 ZINC000045375837 462581044 /nfs/dbraw/zinc/58/10/44/462581044.db2.gz GKWVHHUZDHAQTO-UHFFFAOYSA-N 0 0 329.356 2.161 40 0 EEABRN COC(OC)[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O ZINC000001736607 462585978 /nfs/dbraw/zinc/58/59/78/462585978.db2.gz QJLGFIZQOLSKNG-LJQANCHMSA-N 0 0 340.379 2.253 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)c3cc(F)ccc3F)nn2)cc1 ZINC000087424288 462607223 /nfs/dbraw/zinc/60/72/23/462607223.db2.gz YKJPRVLGRGOPKR-UHFFFAOYSA-N 0 0 344.321 2.484 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@H](C)Cn2cccn2)ccc1OC(C)C ZINC000045741990 462612056 /nfs/dbraw/zinc/61/20/56/462612056.db2.gz XXZIMFCJCHJUKJ-CQSZACIVSA-N 0 0 337.445 2.346 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000113967124 462618345 /nfs/dbraw/zinc/61/83/45/462618345.db2.gz VWKWJSDWYMUQAO-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000004238155 462629212 /nfs/dbraw/zinc/62/92/12/462629212.db2.gz KFYYEXLGKCFZES-UHFFFAOYSA-N 0 0 339.443 2.338 40 0 EEABRN COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000006544264 462689090 /nfs/dbraw/zinc/68/90/90/462689090.db2.gz SWKHIELGPXYFQI-UHFFFAOYSA-N 0 0 334.397 2.198 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 ZINC000006636379 462692856 /nfs/dbraw/zinc/69/28/56/462692856.db2.gz OZIRKWYNYAKQEW-CQSZACIVSA-N 0 0 326.462 2.310 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)NCc2cccs2)c1 ZINC000006680402 462697490 /nfs/dbraw/zinc/69/74/90/462697490.db2.gz XAKKFWSICHFTSN-UHFFFAOYSA-N 0 0 344.483 2.380 40 0 EEABRN N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000006970394 462714132 /nfs/dbraw/zinc/71/41/32/462714132.db2.gz VNKKRIKBEMBSNZ-FXFXYLOPSA-N 0 0 325.412 2.489 40 0 EEABRN O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCNC(=O)C1 ZINC000064716920 462717057 /nfs/dbraw/zinc/71/70/57/462717057.db2.gz WYURJACBZMSRGZ-UHFFFAOYSA-N 0 0 343.358 2.368 40 0 EEABRN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007758970 462750075 /nfs/dbraw/zinc/75/00/75/462750075.db2.gz HJXYPZPOWZKQRC-UHFFFAOYSA-N 0 0 342.436 2.143 40 0 EEABRN O=C(N[C@@H](c1nccs1)C1CC1)c1cc(N2CCOCC2)ccn1 ZINC000131290080 462803452 /nfs/dbraw/zinc/80/34/52/462803452.db2.gz CZHUCOMPKDXFAE-OAHLLOKOSA-N 0 0 344.440 2.256 40 0 EEABRN CCc1cnc([C@@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000131538942 462814895 /nfs/dbraw/zinc/81/48/95/462814895.db2.gz NENMPIWFUNHJJD-GFCCVEGCSA-N 0 0 346.456 2.428 40 0 EEABRN CCCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010329008 462817188 /nfs/dbraw/zinc/81/71/88/462817188.db2.gz OTQLINKDPZAVBG-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000076377996 462850739 /nfs/dbraw/zinc/85/07/39/462850739.db2.gz IQXZBFVKSAUXCJ-UWVGGRQHSA-N 0 0 335.347 2.190 40 0 EEABRN CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584632 462896463 /nfs/dbraw/zinc/89/64/63/462896463.db2.gz YBVLHXDEQJBDHM-UHFFFAOYSA-N 0 0 348.424 2.027 40 0 EEABRN COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1 ZINC000014153098 462914785 /nfs/dbraw/zinc/91/47/85/462914785.db2.gz GVZCQNFWCAZKIB-UHFFFAOYSA-N 0 0 346.770 2.495 40 0 EEABRN CNC(=O)c1cccc(CCNc2ncc(Br)cn2)c1 ZINC000077229287 462956616 /nfs/dbraw/zinc/95/66/16/462956616.db2.gz WDAGMNGNASCPJF-UHFFFAOYSA-N 0 0 335.205 2.253 40 0 EEABRN CCOC(=O)Cc1csc(NC(=O)CN2CCCCCC2)n1 ZINC000016740517 462990080 /nfs/dbraw/zinc/99/00/80/462990080.db2.gz ZGRGZPPWFYMPNR-UHFFFAOYSA-N 0 0 325.434 2.063 40 0 EEABRN O=C(CCn1ccnc1)NCc1nnc(-c2nccc3ccccc32)o1 ZINC000019376542 463017926 /nfs/dbraw/zinc/01/79/26/463017926.db2.gz FNXVJHFKBLRDNG-UHFFFAOYSA-N 0 0 348.366 2.188 40 0 EEABRN CC(C)N1C(=O)C[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1=O ZINC000134492105 463046285 /nfs/dbraw/zinc/04/62/85/463046285.db2.gz SEINYHNLGYFKMR-HNNXBMFYSA-N 0 0 328.412 2.052 40 0 EEABRN O=C(NC[C@@H](O)c1ccccc1Cl)C(=O)Nc1cccc(F)c1 ZINC000077913782 463070438 /nfs/dbraw/zinc/07/04/38/463070438.db2.gz MMFDLVQLFBMNCQ-CQSZACIVSA-N 0 0 336.750 2.267 40 0 EEABRN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096042965 463147231 /nfs/dbraw/zinc/14/72/31/463147231.db2.gz OJABJQFQIZTDAW-RRQGHBQHSA-N 0 0 343.383 2.459 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1ccncc1)C[C@@H]2COCC1CC1 ZINC000096045242 463148733 /nfs/dbraw/zinc/14/87/33/463148733.db2.gz SSROXRIWLWKFCO-MRXNPFEDSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(N[C@H]1CCC12CCN(Cc1nccs1)CC2)c1cnccn1 ZINC000096051487 463155491 /nfs/dbraw/zinc/15/54/91/463155491.db2.gz SWSXMBLKVNJDBZ-AWEZNQCLSA-N 0 0 343.456 2.108 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2cccs2)n1 ZINC000096063934 463163664 /nfs/dbraw/zinc/16/36/64/463163664.db2.gz SBHFWWCSNHIEQN-LSDHHAIUSA-N 0 0 341.436 2.467 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@]3(C[C@@H](Nc4nccs4)CO3)C2)[nH]n1 ZINC000096073815 463166653 /nfs/dbraw/zinc/16/66/53/463166653.db2.gz UMQIQYLPIQVXRO-MLGOLLRUSA-N 0 0 347.444 2.050 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096105789 463174008 /nfs/dbraw/zinc/17/40/08/463174008.db2.gz IXKWSSVFFUWOAD-CYBMUJFWSA-N 0 0 343.420 2.032 40 0 EEABRN O=C1[C@@H]2C[C@@H](CN2Cc2ncc[nH]2)Oc2ccccc2N1CC1CC1 ZINC000096111817 463180149 /nfs/dbraw/zinc/18/01/49/463180149.db2.gz VPXLRDWTQAPCIV-HOCLYGCPSA-N 0 0 338.411 2.188 40 0 biogenic,in-vitro EEABRN CC[C@@H](C(=O)NCc1nccc(N2CCOCC2)n1)c1ccccc1 ZINC000096120887 463181980 /nfs/dbraw/zinc/18/19/80/463181980.db2.gz XZOGBLUAXFBYMR-MRXNPFEDSA-N 0 0 340.427 2.123 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096158797 463189551 /nfs/dbraw/zinc/18/95/51/463189551.db2.gz BMPFXBSUJPSQTP-UHFFFAOYSA-N 0 0 341.411 2.182 40 0 EEABRN O=C(c1cccc(Cl)c1)N1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182390 463194324 /nfs/dbraw/zinc/19/43/24/463194324.db2.gz VQBPIUZOPXGUFN-OKILXGFUSA-N 0 0 328.803 2.338 40 0 EEABRN O=C([O-])[C@H]1C[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1ccccc1 ZINC000096198717 463204195 /nfs/dbraw/zinc/20/41/95/463204195.db2.gz LHBBUBQNLJBXSK-DLBZAZTESA-N 0 0 330.428 2.159 40 0 EEABRN Cc1occc1C(=O)N1Cc2cnn(C)c2[C@H](COCC2CC2)C1 ZINC000096198283 463204276 /nfs/dbraw/zinc/20/42/76/463204276.db2.gz WZMZTHHMTAMVCV-HNNXBMFYSA-N 0 0 329.400 2.488 40 0 EEABRN O=C(c1cccs1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 ZINC000096199950 463206025 /nfs/dbraw/zinc/20/60/25/463206025.db2.gz FBJCJCWJURODSX-CQSZACIVSA-N 0 0 341.436 2.422 40 0 EEABRN CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2)[C@@H]1Cc1cccnc1 ZINC000096200499 463206032 /nfs/dbraw/zinc/20/60/32/463206032.db2.gz GUQPCYNQFOWZSR-QZTJIDSGSA-N 0 0 346.452 2.492 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096202253 463207142 /nfs/dbraw/zinc/20/71/42/463207142.db2.gz YFYMEIXQHHZQNL-GOSISDBHSA-N 0 0 327.384 2.044 40 0 EEABRN Cc1cc2oc(C(=O)NCc3cnn(C)c3)cc(=O)c2cc1Cl ZINC000027912352 463207780 /nfs/dbraw/zinc/20/77/80/463207780.db2.gz SIYVAAIYNXMNIO-UHFFFAOYSA-N 0 0 331.759 2.418 40 0 EEABRN CC[C@@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CC[C@H]21 ZINC000096206549 463208302 /nfs/dbraw/zinc/20/83/02/463208302.db2.gz VFEXIQPBFZATQH-WQVCFCJDSA-N 0 0 325.430 2.131 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCC3)C2)cn1 ZINC000096207341 463210514 /nfs/dbraw/zinc/21/05/14/463210514.db2.gz CBPIHJRCBMGPGB-IEBWSBKVSA-N 0 0 330.428 2.295 40 0 EEABRN O=C(Cc1ccco1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 ZINC000096218199 463215067 /nfs/dbraw/zinc/21/50/67/463215067.db2.gz OJPPZIQIBCVEOA-OAHLLOKOSA-N 0 0 342.399 2.177 40 0 EEABRN CC(=O)N1CC[C@H](OCC(=O)N2CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000096218889 463216556 /nfs/dbraw/zinc/21/65/56/463216556.db2.gz RJIOOACZSNRFSA-OALUTQOASA-N 0 0 344.455 2.105 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096221903 463217836 /nfs/dbraw/zinc/21/78/36/463217836.db2.gz ZAUIKHRGEFRQOO-RDJZCZTQSA-N 0 0 331.412 2.252 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096239624 463224459 /nfs/dbraw/zinc/22/44/59/463224459.db2.gz OXEAGEKKKQEGOQ-MRXNPFEDSA-N 0 0 347.369 2.183 40 0 EEABRN O=C(N1CCCC1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238794 463224574 /nfs/dbraw/zinc/22/45/74/463224574.db2.gz WTEQTNNXBUDZAQ-GOSISDBHSA-N 0 0 331.391 2.470 40 0 EEABRN Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)C(C)C)C1 ZINC000096244535 463225845 /nfs/dbraw/zinc/22/58/45/463225845.db2.gz WQKRQTVEUFALTL-IBGZPJMESA-N 0 0 344.459 2.263 40 0 EEABRN CC[C@H]1CN(C(=O)NCc2nccn2CC(F)(F)F)C[C@@H](C)O1 ZINC000096405587 463239025 /nfs/dbraw/zinc/23/90/25/463239025.db2.gz IWVOTPQMZAMZIG-MNOVXSKESA-N 0 0 334.342 2.154 40 0 EEABRN O=C(NCc1nnc2n1CCCCC2)C1(c2cccc(F)c2)CC1 ZINC000096406336 463239510 /nfs/dbraw/zinc/23/95/10/463239510.db2.gz PSTQGAARXSWZLT-UHFFFAOYSA-N 0 0 328.391 2.492 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N(C)C[C@H](C)c1ccccc1 ZINC000096408663 463241496 /nfs/dbraw/zinc/24/14/96/463241496.db2.gz SLPMZXNWYKIZBK-ZDUSSCGKSA-N 0 0 339.399 2.239 40 0 EEABRN Cc1cnn(CCC(=O)NC[C@@H](O)c2ccc(OC(F)F)cc2)c1 ZINC000096409685 463242722 /nfs/dbraw/zinc/24/27/22/463242722.db2.gz VTRKMRUGTMSOEF-CQSZACIVSA-N 0 0 339.342 2.033 40 0 EEABRN C[C@@H](c1ccc(NC(=O)NCCn2ccnc2)cc1)N1CCOCC1 ZINC000096410659 463244294 /nfs/dbraw/zinc/24/42/94/463244294.db2.gz KPHXSJHNFHQUFZ-HNNXBMFYSA-N 0 0 343.431 2.098 40 0 EEABRN CCn1cc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC000096413662 463245858 /nfs/dbraw/zinc/24/58/58/463245858.db2.gz WNEMBCVDETVVAB-UHFFFAOYSA-N 0 0 348.472 2.342 40 0 EEABRN CSC[C@H](C)NC(=O)C(=O)Nc1ccccc1Br ZINC000096413542 463246233 /nfs/dbraw/zinc/24/62/33/463246233.db2.gz ISJHMRYQFTZCMB-QMMMGPOBSA-N 0 0 331.235 2.255 40 0 EEABRN COC(=O)N1CC[C@H](NC(=O)c2sccc2Br)C1 ZINC000096426635 463255989 /nfs/dbraw/zinc/25/59/89/463255989.db2.gz WIHFYTABBIVCCO-ZETCQYMHSA-N 0 0 333.207 2.081 40 0 EEABRN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cn(C)c2ccccc12 ZINC000096431223 463259778 /nfs/dbraw/zinc/25/97/78/463259778.db2.gz TUMVCAQFJNUFLD-NPQIQWPPSA-N 0 0 346.452 2.085 40 0 EEABRN Cc1cc(C)nc(-n2cc(C(=O)N[C@@H]3CCCOC3)c(C(C)C)n2)n1 ZINC000096430937 463259960 /nfs/dbraw/zinc/25/99/60/463259960.db2.gz NAFIWXTUHDPGSZ-CQSZACIVSA-N 0 0 343.431 2.311 40 0 EEABRN Cc1ccccc1C(=O)N[C@H](C(=O)/N=c1\sccn1C)C(C)C ZINC000029649603 463266638 /nfs/dbraw/zinc/26/66/38/463266638.db2.gz XSIFOACINXYUET-STGLLQLASA-N 0 0 331.441 2.277 40 0 EEABRN C[S@@](=O)c1nncn1CC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000096447741 463270817 /nfs/dbraw/zinc/27/08/17/463270817.db2.gz WDKCWFOIALHAPY-DEOSSOPVSA-N 0 0 337.404 2.470 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CC(=O)N(C)C3)cc2)n1 ZINC000096449742 463271847 /nfs/dbraw/zinc/27/18/47/463271847.db2.gz ZMGRXBYUSTYZDO-HOCLYGCPSA-N 0 0 340.427 2.145 40 0 EEABRN CN(C)C(=O)Cc1ccccc1NCC(=O)Nc1ccc(Cl)cn1 ZINC000096452709 463272672 /nfs/dbraw/zinc/27/26/72/463272672.db2.gz CIAMHGKOOYHHCW-UHFFFAOYSA-N 0 0 346.818 2.416 40 0 EEABRN O=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCOC1 ZINC000096453008 463272748 /nfs/dbraw/zinc/27/27/48/463272748.db2.gz LRQJFXTVGOCDLS-LBPRGKRZSA-N 0 0 328.821 2.072 40 0 EEABRN CCc1cccc2c(CCNS(=O)(=O)C[C@@H]3CCOC3)c[nH]c21 ZINC000096453014 463274540 /nfs/dbraw/zinc/27/45/40/463274540.db2.gz HHVMAYADECSTRA-CYBMUJFWSA-N 0 0 336.457 2.229 40 0 EEABRN CC(C)[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000096483579 463282677 /nfs/dbraw/zinc/28/26/77/463282677.db2.gz PHCVNOMVWLQMAQ-GFCCVEGCSA-N 0 0 325.352 2.142 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccncc1F ZINC000096485653 463283902 /nfs/dbraw/zinc/28/39/02/463283902.db2.gz ZQUHABDYVHWWIZ-CQSZACIVSA-N 0 0 331.322 2.285 40 0 EEABRN Cc1ccccc1OCCNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000096491804 463287170 /nfs/dbraw/zinc/28/71/70/463287170.db2.gz BRZYNCVRUMHLRY-UHFFFAOYSA-N 0 0 346.349 2.473 40 0 EEABRN O=C(CN1CCC(C(F)(F)F)CC1)N[C@H]1COc2ccccc2C1 ZINC000096495959 463288655 /nfs/dbraw/zinc/28/86/55/463288655.db2.gz HPXQVQWXXLPHFX-CQSZACIVSA-N 0 0 342.361 2.381 40 0 EEABRN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1csc(N2CCCCC2)n1 ZINC000096496590 463289492 /nfs/dbraw/zinc/28/94/92/463289492.db2.gz HCFPFGVUHKTMHQ-LLVKDONJSA-N 0 0 348.428 2.483 40 0 EEABRN COc1ccc(C)cc1C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000096500467 463290778 /nfs/dbraw/zinc/29/07/78/463290778.db2.gz KSTQVQYWTIZYMN-NRFANRHFSA-N 0 0 325.459 2.370 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1F ZINC000096500879 463291838 /nfs/dbraw/zinc/29/18/38/463291838.db2.gz ZRQHIROEFWENOL-AWEZNQCLSA-N 0 0 327.787 2.318 40 0 EEABRN Cc1ccc(N2CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC2)nc1 ZINC000097100747 463324148 /nfs/dbraw/zinc/32/41/48/463324148.db2.gz LTCZBOJAFCTSBG-MRXNPFEDSA-N 0 0 348.491 2.455 40 0 EEABRN C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)N1CCOC[C@H]1C ZINC000097236988 463352028 /nfs/dbraw/zinc/35/20/28/463352028.db2.gz VIAOUGNOWVTHMG-QWHCGFSZSA-N 0 0 340.851 2.204 40 0 EEABRN CN1CCN(C(=S)N(C(=O)c2ccco2)c2ccccc2)CC1 ZINC000031852194 463356942 /nfs/dbraw/zinc/35/69/42/463356942.db2.gz CEHLJIIQIJKHFN-UHFFFAOYSA-N 0 0 329.425 2.459 40 0 EEABRN CSCc1cccc(S(=O)(=O)NCCCn2ccnc2)c1 ZINC000071195379 463411635 /nfs/dbraw/zinc/41/16/35/463411635.db2.gz KARLNUFKMLBISV-UHFFFAOYSA-N 0 0 325.459 2.115 40 0 EEABRN O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1cnccn1 ZINC000071195789 463411856 /nfs/dbraw/zinc/41/18/56/463411856.db2.gz SJUAITIECZGBEL-HNNXBMFYSA-N 0 0 332.367 2.136 40 0 EEABRN CS(=O)(=O)c1nsc(NC(=O)Cc2cccc3ccccc32)n1 ZINC000036626353 463437807 /nfs/dbraw/zinc/43/78/07/463437807.db2.gz WXQACGLTXJPDQO-UHFFFAOYSA-N 0 0 347.421 2.276 40 0 EEABRN Cn1cc([C@@H]2OCC[C@H]2CNc2ncnc3c2ncn3C2CC2)cn1 ZINC000579447632 468359831 /nfs/dbraw/zinc/35/98/31/468359831.db2.gz BMEGTIYIGFWPCB-XHDPSFHLSA-N 0 0 339.403 2.084 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N[C@H](C)CO[C@H]2CCOC2)cc1 ZINC000150940907 463455226 /nfs/dbraw/zinc/45/52/26/463455226.db2.gz YEVKFQMUULSKSM-HIFRSBDPSA-N 0 0 327.446 2.282 40 0 EEABRN COc1cccc(/C(C)=C/C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000081571315 463463522 /nfs/dbraw/zinc/46/35/22/463463522.db2.gz YOVPOCYTCLUAAQ-NRMGUKERSA-N 0 0 344.455 2.422 40 0 EEABRN C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)N1CCCCC1 ZINC000057223465 463468201 /nfs/dbraw/zinc/46/82/01/463468201.db2.gz FTNXAEFYNVZYFZ-OAHLLOKOSA-N 0 0 340.427 2.062 40 0 EEABRN COc1ccc([C@H]2[C@H](N)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000072228195 463483719 /nfs/dbraw/zinc/48/37/19/463483719.db2.gz BRDHYEAURDXBIC-IRXDYDNUSA-N 0 0 330.359 2.254 40 0 EEABRN CC(=O)N1CCN(c2cc(C)c([C@@H](O)c3ccccc3)cn2)CC1 ZINC000072223736 463484040 /nfs/dbraw/zinc/48/40/40/463484040.db2.gz DUUSQWZFBJVSRA-IBGZPJMESA-N 0 0 325.412 2.140 40 0 EEABRN COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000072227731 463484326 /nfs/dbraw/zinc/48/43/26/463484326.db2.gz OJUTVOBEXONIMX-IRXDYDNUSA-N 0 0 328.368 2.128 40 0 EEABRN COc1ccc([C@H]2[C@@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227043 463484456 /nfs/dbraw/zinc/48/44/56/463484456.db2.gz XIHXRPLNNYKDAJ-MSOLQXFVSA-N 0 0 342.395 2.123 40 0 EEABRN Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCC3)nc2C2CC2)on1 ZINC000072340373 463509327 /nfs/dbraw/zinc/50/93/27/463509327.db2.gz XZSQLNGRPCFDKL-UHFFFAOYSA-N 0 0 342.399 2.143 40 0 EEABRN CN(C)C(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072377009 463509453 /nfs/dbraw/zinc/50/94/53/463509453.db2.gz FXKJTUPDLGAFLQ-MRXNPFEDSA-N 0 0 339.443 2.341 40 0 EEABRN OCc1nnc2n1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000057822764 463520898 /nfs/dbraw/zinc/52/08/98/463520898.db2.gz DUTCXNQNZLVANB-UHFFFAOYSA-N 0 0 328.416 2.108 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000042467276 463565203 /nfs/dbraw/zinc/56/52/03/463565203.db2.gz DKPFULZJBDQVAM-CYBMUJFWSA-N 0 0 330.384 2.045 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000107772924 463581946 /nfs/dbraw/zinc/58/19/46/463581946.db2.gz PKKWFROPYGJNRV-KGLIPLIRSA-N 0 0 326.462 2.373 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000108037186 463588189 /nfs/dbraw/zinc/58/81/89/463588189.db2.gz CWGTWAGIPMYSRK-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN O=C(NC[C@H](O)C1CCOCC1)c1ccc2ccc(Cl)cc2n1 ZINC000084404081 463601135 /nfs/dbraw/zinc/60/11/35/463601135.db2.gz CFIOBMJUOZFQMB-INIZCTEOSA-N 0 0 334.803 2.406 40 0 EEABRN COc1ccc(OCCN(C)Cn2ncc3ccccc3c2=O)cc1 ZINC000044893255 463698881 /nfs/dbraw/zinc/69/88/81/463698881.db2.gz ASFPDLUZISPGES-UHFFFAOYSA-N 0 0 339.395 2.373 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)cc1 ZINC000257298711 463766631 /nfs/dbraw/zinc/76/66/31/463766631.db2.gz RMZATRBBENSMKP-INIZCTEOSA-N 0 0 347.440 2.164 40 0 EEABRN Cc1ccc(OCC2(O)CCN(C(=O)c3cc[nH]n3)CC2)cc1C ZINC000257296905 463767323 /nfs/dbraw/zinc/76/73/23/463767323.db2.gz REYBEBSONRWKQC-UHFFFAOYSA-N 0 0 329.400 2.073 40 0 EEABRN Cc1cccc(N2CCC[C@@H](NC(=O)CCCn3ccnc3)C2)n1 ZINC000257298955 463767854 /nfs/dbraw/zinc/76/78/54/463767854.db2.gz ROBABPICEWUOFS-MRXNPFEDSA-N 0 0 327.432 2.152 40 0 EEABRN Cc1cccnc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257302079 463769027 /nfs/dbraw/zinc/76/90/27/463769027.db2.gz SBJDERQOZHRNIU-LPHOPBHVSA-N 0 0 326.396 2.435 40 0 EEABRN CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3nccs3)C2)ncn1 ZINC000257306388 463770314 /nfs/dbraw/zinc/77/03/14/463770314.db2.gz SUCQDUKGVGPSKD-MRXNPFEDSA-N 0 0 346.460 2.244 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000257313534 463773165 /nfs/dbraw/zinc/77/31/65/463773165.db2.gz UTAMLFBXVZILNF-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN Cn1cnc(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)c1 ZINC000257311015 463773356 /nfs/dbraw/zinc/77/33/56/463773356.db2.gz UHORKBNFIYDFFB-AWEZNQCLSA-N 0 0 339.395 2.498 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257315857 463774505 /nfs/dbraw/zinc/77/45/05/463774505.db2.gz VDACDQPBKJHLMR-ZDUSSCGKSA-N 0 0 347.415 2.169 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)n1 ZINC000257337349 463784012 /nfs/dbraw/zinc/78/40/12/463784012.db2.gz YSLNCVGNFFTKGL-HNNXBMFYSA-N 0 0 329.375 2.489 40 0 EEABRN Cc1cccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260895416 463793366 /nfs/dbraw/zinc/79/33/66/463793366.db2.gz IHKVTHXTVJYMSA-UONOGXRCSA-N 0 0 326.462 2.310 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C ZINC000195530555 464072453 /nfs/dbraw/zinc/07/24/53/464072453.db2.gz ZSZZLKGGTYAELQ-SWNOZMOVSA-N 0 0 330.494 2.133 40 0 EEABRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000195535649 464073014 /nfs/dbraw/zinc/07/30/14/464073014.db2.gz USOLSTYBERENAU-JQLIAFOBSA-N 0 0 348.419 2.350 40 0 EEABRN CCn1c(CN(C)CC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000195535093 464073690 /nfs/dbraw/zinc/07/36/90/464073690.db2.gz GONYDEVTGIKAFZ-GJZGRUSLSA-N 0 0 344.459 2.124 40 0 EEABRN CN(CCn1cccn1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000195577514 464079837 /nfs/dbraw/zinc/07/98/37/464079837.db2.gz SCEGJCNUEAQSST-UHFFFAOYSA-N 0 0 342.168 2.263 40 0 EEABRN COCC1(NS(=O)(=O)c2ccccc2Br)CCC1 ZINC000284113489 464087418 /nfs/dbraw/zinc/08/74/18/464087418.db2.gz XAOCDYOIBWUUHH-UHFFFAOYSA-N 0 0 334.235 2.297 40 0 EEABRN CCOC(=O)N1CCN(C(=O)COc2ccccc2C(C)C)CC1 ZINC000222804510 464132865 /nfs/dbraw/zinc/13/28/65/464132865.db2.gz PFBCMRAIAILQRG-UHFFFAOYSA-N 0 0 334.416 2.490 40 0 EEABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCOCC1 ZINC000223344570 464140135 /nfs/dbraw/zinc/14/01/35/464140135.db2.gz KSRVKVDODPYTDR-MRXNPFEDSA-N 0 0 346.471 2.171 40 0 EEABRN CCn1c2cc(C)c(S(=O)(=O)NCc3ccccc3)cc2oc1=O ZINC000223351463 464142548 /nfs/dbraw/zinc/14/25/48/464142548.db2.gz AKGOORWRMMBREW-UHFFFAOYSA-N 0 0 346.408 2.401 40 0 EEABRN COC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000225129623 464152439 /nfs/dbraw/zinc/15/24/39/464152439.db2.gz ALECJFFSLWPQDB-UHFFFAOYSA-N 0 0 329.374 2.256 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 ZINC000225423039 464158900 /nfs/dbraw/zinc/15/89/00/464158900.db2.gz DMIXBXIABVAIFM-HOCLYGCPSA-N 0 0 327.384 2.232 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225526435 464169911 /nfs/dbraw/zinc/16/99/11/464169911.db2.gz JSXCRQAPFLSLIP-SMDDNHRTSA-N 0 0 329.400 2.476 40 0 EEABRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc[nH]1 ZINC000188977226 464406858 /nfs/dbraw/zinc/40/68/58/464406858.db2.gz DPMVZWFGTUGYIJ-HNNXBMFYSA-N 0 0 333.338 2.214 40 0 EEABRN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1F ZINC000189077373 464428513 /nfs/dbraw/zinc/42/85/13/464428513.db2.gz IVQRQRWEGOZGFU-OAHLLOKOSA-N 0 0 344.390 2.478 40 0 EEABRN CC(C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000243430384 464459947 /nfs/dbraw/zinc/45/99/47/464459947.db2.gz MYWAUDKOHYXLNW-UHFFFAOYSA-N 0 0 339.244 2.284 40 0 EEABRN C[S@](=O)C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1ccccc1 ZINC000245339042 464470790 /nfs/dbraw/zinc/47/07/90/464470790.db2.gz QEFCSNYMFSORPO-PXAQALGRSA-N 0 0 329.421 2.399 40 0 EEABRN CCc1c(NS(=O)(=O)CCOC)cnn1-c1cccc(Cl)c1 ZINC000189455677 464509975 /nfs/dbraw/zinc/50/99/75/464509975.db2.gz YINYUWXLNWSMTH-UHFFFAOYSA-N 0 0 343.836 2.476 40 0 EEABRN Cc1nscc1C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000182335528 464629261 /nfs/dbraw/zinc/62/92/61/464629261.db2.gz DCJSQZJPPPDJOW-VIFPVBQESA-N 0 0 337.351 2.265 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1)c1ccco1 ZINC000247470381 464682888 /nfs/dbraw/zinc/68/28/88/464682888.db2.gz FEMMUBDUJPRRRE-BQFCYCMXSA-N 0 0 341.411 2.084 40 0 EEABRN Cc1cccc(COC[C@H]2CN(C3CCOCC3)Cc3ccnn32)n1 ZINC000247850374 464709537 /nfs/dbraw/zinc/70/95/37/464709537.db2.gz AEYREUQENOSJIN-LJQANCHMSA-N 0 0 342.443 2.339 40 0 EEABRN O=C(c1ccnnc1)N1CC2(C1)C[C@H](OCC1CCCC1)CS2 ZINC000247859537 464710187 /nfs/dbraw/zinc/71/01/87/464710187.db2.gz MBGMYPQHNOZVBT-HNNXBMFYSA-N 0 0 333.457 2.384 40 0 EEABRN Cc1cc(NC(=O)N[C@]2(CO)CCOC2)cnc1N1CCCC[C@H]1C ZINC000273479664 464718205 /nfs/dbraw/zinc/71/82/05/464718205.db2.gz LBNMQCCUABRIOW-KDOFPFPSSA-N 0 0 348.447 2.042 40 0 EEABRN Cc1nnc(N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)s1 ZINC000248030093 464724730 /nfs/dbraw/zinc/72/47/30/464724730.db2.gz PITBIOOPKIKSBC-JYJNAYRXSA-N 0 0 346.456 2.300 40 0 EEABRN CCO[C@H]1CSC2(CN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000248041078 464725425 /nfs/dbraw/zinc/72/54/25/464725425.db2.gz LAQNZUVYCCELHO-GFCCVEGCSA-N 0 0 331.441 2.310 40 0 EEABRN CC(C)Cn1ncnc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000182783226 464726823 /nfs/dbraw/zinc/72/68/23/464726823.db2.gz XTWAAXJWMSMJIE-UHFFFAOYSA-N 0 0 339.447 2.356 40 0 EEABRN Cn1ccnc1C(=O)N1CCC2(CCCN(CC3CCC3)C2=O)CC1 ZINC000248110784 464731363 /nfs/dbraw/zinc/73/13/63/464731363.db2.gz HDKVHWXOEWOWKX-UHFFFAOYSA-N 0 0 344.459 2.065 40 0 EEABRN CN(Cc1ccccn1)[C@@H]1CO[C@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC000248136032 464731979 /nfs/dbraw/zinc/73/19/79/464731979.db2.gz RSJSNVHSDVMUCB-HKUYNNGSSA-N 0 0 329.444 2.074 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000248140078 464733863 /nfs/dbraw/zinc/73/38/63/464733863.db2.gz PYGCULAMTRVUMH-OAHLLOKOSA-N 0 0 343.452 2.337 40 0 EEABRN C[C@@H]1CN(C(=O)C[S@@](=O)Cc2ccccc2Cl)C[C@H](C)O1 ZINC000191207730 464798246 /nfs/dbraw/zinc/79/82/46/464798246.db2.gz IJWNQZMVHSEPEG-DCVWQXJKSA-N 0 0 329.849 2.225 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@H]3COCc2ccncc2)cn1 ZINC000249692021 464904200 /nfs/dbraw/zinc/90/42/00/464904200.db2.gz MHOZHLUDYKPKQE-SFHVURJKSA-N 0 0 342.443 2.106 40 0 EEABRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000192421341 464922758 /nfs/dbraw/zinc/92/27/58/464922758.db2.gz GGGWHCOEMMWFJL-ZCFIWIBFSA-N 0 0 341.191 2.441 40 0 EEABRN COC(=O)CN(CCc1ccccc1)c1ncnc2onc(C)c21 ZINC000192523294 464940766 /nfs/dbraw/zinc/94/07/66/464940766.db2.gz XEHWGENEJWBZPI-UHFFFAOYSA-N 0 0 326.356 2.148 40 0 EEABRN C[S@](=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000252477299 464959262 /nfs/dbraw/zinc/95/92/62/464959262.db2.gz LQNVSHDHIPSDRL-YWTKSJFSSA-N 0 0 342.420 2.035 40 0 EEABRN COC[C@H](NC(=O)NCCc1ccc2[nH]ccc2c1)[C@H]1CCCO1 ZINC000252485343 464963985 /nfs/dbraw/zinc/96/39/85/464963985.db2.gz GRTVWAPRKMUUIX-DLBZAZTESA-N 0 0 331.416 2.204 40 0 EEABRN COC(=O)[C@H](CNC(=O)c1ccc2nccn2c1)c1ccc(F)cc1 ZINC000192767342 464993158 /nfs/dbraw/zinc/99/31/58/464993158.db2.gz RXUVLDMOBRRHOQ-OAHLLOKOSA-N 0 0 341.342 2.160 40 0 EEABRN COc1ncnc(N(C)C)c1NC(=O)[C@H]1CCCc2cccnc21 ZINC000253416538 465004193 /nfs/dbraw/zinc/00/41/93/465004193.db2.gz JURWZAYXPVLCTR-LBPRGKRZSA-N 0 0 327.388 2.005 40 0 EEABRN Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000253420785 465008537 /nfs/dbraw/zinc/00/85/37/465008537.db2.gz GPHIDOQGAHBDPF-ZDUSSCGKSA-N 0 0 342.461 2.255 40 0 EEABRN COc1ccc2nc(CSc3nnnn3C3CCCC3)[nH]c2n1 ZINC000253425348 465010703 /nfs/dbraw/zinc/01/07/03/465010703.db2.gz HOJSIXQDAVNGIR-UHFFFAOYSA-N 0 0 331.405 2.360 40 0 EEABRN CN1C[C@@H]2N(C(=O)c3ccno3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306141882 466494270 /nfs/dbraw/zinc/49/42/70/466494270.db2.gz WIYLBMPVAMXKTN-QFBILLFUSA-N 0 0 339.395 2.079 40 0 EEABRN Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCCC2)C1 ZINC000575402604 468140547 /nfs/dbraw/zinc/14/05/47/468140547.db2.gz CKLAZPMMQOBOAH-OAHLLOKOSA-N 0 0 342.399 2.040 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)c1 ZINC000575405548 468141889 /nfs/dbraw/zinc/14/18/89/468141889.db2.gz UJTZDKHNUVRMQV-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN OCc1cc(I)ccc1Oc1ncccn1 ZINC000575422455 468143192 /nfs/dbraw/zinc/14/31/92/468143192.db2.gz GLPRJHYUGSSITK-UHFFFAOYSA-N 0 0 328.109 2.366 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575605414 468146015 /nfs/dbraw/zinc/14/60/15/468146015.db2.gz PDSBGDQEGBHDDQ-GFCCVEGCSA-N 0 0 332.335 2.165 40 0 EEABRN O=C(COc1ccccc1F)NCc1ccnc(N2CCCC2=O)c1 ZINC000575606148 468146677 /nfs/dbraw/zinc/14/66/77/468146677.db2.gz DXBRONUVSWUBPQ-UHFFFAOYSA-N 0 0 343.358 2.043 40 0 EEABRN O=C(c1ccc(F)c(Cl)c1)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093298 468963461 /nfs/dbraw/zinc/96/34/61/468963461.db2.gz OAGGAMOFQSYLGZ-CQSZACIVSA-N 0 0 346.736 2.467 40 0 EEABRN C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)C1CCC1 ZINC000585096483 468964314 /nfs/dbraw/zinc/96/43/14/468964314.db2.gz PTKFILXPUNCAKV-LBPRGKRZSA-N 0 0 342.399 2.109 40 0 EEABRN COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@H]2C ZINC000585096711 468964543 /nfs/dbraw/zinc/96/45/43/468964543.db2.gz AWQUUDCZFHJGDF-ZDUSSCGKSA-N 0 0 340.427 2.133 40 0 EEABRN Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)[C@H]1CCCO1)C2 ZINC000585101917 468970417 /nfs/dbraw/zinc/97/04/17/468970417.db2.gz LNACGJCLUWLICF-AEFFLSMTSA-N 0 0 333.432 2.037 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 ZINC000585102628 468970947 /nfs/dbraw/zinc/97/09/47/468970947.db2.gz CPRXCDHSFGONPW-CQSZACIVSA-N 0 0 328.368 2.375 40 0 EEABRN Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccnc(F)c4)C[C@H]3C2)cs1 ZINC000585107574 468971750 /nfs/dbraw/zinc/97/17/50/468971750.db2.gz FEFSUJGETAGSEI-ZIAGYGMSSA-N 0 0 346.431 2.190 40 0 EEABRN CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585113060 468976291 /nfs/dbraw/zinc/97/62/91/468976291.db2.gz YEDAMHUZYPJVLI-HNNXBMFYSA-N 0 0 341.411 2.094 40 0 EEABRN C[C@@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)N1CCCC1=O ZINC000585140986 468990258 /nfs/dbraw/zinc/99/02/58/468990258.db2.gz NNQZIXKZQJASKI-KXBFYZLASA-N 0 0 330.428 2.162 40 0 EEABRN CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)Nc2cccnc2)n1 ZINC000585141375 468990801 /nfs/dbraw/zinc/99/08/01/468990801.db2.gz TXSPFWRHZAYPEP-GFCCVEGCSA-N 0 0 346.391 2.285 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3ccnc3C(C)C)C2)n1 ZINC000585181437 468996238 /nfs/dbraw/zinc/99/62/38/468996238.db2.gz NUICQVMLAMMXNE-OAHLLOKOSA-N 0 0 329.448 2.455 40 0 EEABRN CCc1n[nH]cc1C(=O)N1CC[C@@](COc2ccc(F)cc2)(OC)C1 ZINC000585276311 469000278 /nfs/dbraw/zinc/00/02/78/469000278.db2.gz IBXRXQMTBBLOSC-GOSISDBHSA-N 0 0 347.390 2.421 40 0 EEABRN CO[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1Cc1cccc(F)c1 ZINC000585275911 469000350 /nfs/dbraw/zinc/00/03/50/469000350.db2.gz GNSVJRQIVZPQEB-WBVHZDCISA-N 0 0 331.391 2.128 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2nccn2C)C1 ZINC000585279241 469004320 /nfs/dbraw/zinc/00/43/20/469004320.db2.gz XZCFTCIPYFGZFY-GOSISDBHSA-N 0 0 329.400 2.039 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)CCc2ccno2)C[C@H]1O ZINC000585279396 469006059 /nfs/dbraw/zinc/00/60/59/469006059.db2.gz LJITWTMEPNVACY-SJLPKXTDSA-N 0 0 328.412 2.368 40 0 EEABRN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)[C@H]1COc2ccccc2O1 ZINC000390827161 485668335 /nfs/dbraw/zinc/66/83/35/485668335.db2.gz FHEHGYKZOALOLH-RHSMWYFYSA-N 0 0 343.383 2.231 40 0 EEABRN C[C@@H](CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1nccs1 ZINC000184302354 533922995 /nfs/dbraw/zinc/92/29/95/533922995.db2.gz KUVULYDLZIRVPB-STQMWFEESA-N 0 0 339.461 2.431 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N[C@H](C)CCS(C)(=O)=O)[nH]n2)cc1C ZINC000188578942 534179328 /nfs/dbraw/zinc/17/93/28/534179328.db2.gz LVKBDGNZNFXOKV-CYBMUJFWSA-N 0 0 349.456 2.247 40 0 EEABRN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000174951536 526481828 /nfs/dbraw/zinc/48/18/28/526481828.db2.gz HJFWILSEOCRDQX-CQSZACIVSA-N 0 0 341.415 2.424 40 0 EEABRN Cc1nc(C)c(CNC(=O)N2CCN(Cc3ccccn3)CC2)s1 ZINC000097096626 526719442 /nfs/dbraw/zinc/71/94/42/526719442.db2.gz LWBUIAHLZXAGTA-UHFFFAOYSA-N 0 0 345.472 2.182 40 0 EEABRN CCOC(=O)c1ccc(N2CCN(Cc3cncc(C)c3)CC2)nc1 ZINC000189787040 528227379 /nfs/dbraw/zinc/22/73/79/528227379.db2.gz ABELLLRMQHHAKV-UHFFFAOYSA-N 0 0 340.427 2.284 40 0 EEABRN CCn1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)c(C)n1 ZINC000257262211 536027616 /nfs/dbraw/zinc/02/76/16/536027616.db2.gz LKPJITKYMVJMAS-GOSISDBHSA-N 0 0 340.427 2.257 40 0 EEABRN CN(C)Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 ZINC000257220078 536059017 /nfs/dbraw/zinc/05/90/17/536059017.db2.gz DJLFGORCSQICKR-KRWDZBQOSA-N 0 0 346.456 2.064 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 ZINC000257253616 536421546 /nfs/dbraw/zinc/42/15/46/536421546.db2.gz JZPLLAAQGQRMNV-OAHLLOKOSA-N 0 0 329.404 2.419 40 0 EEABRN O=C1NCC2(CCOCC2)[C@H]1Nc1ncnc2c3ccccc3oc21 ZINC000884641606 1202345479 /nfs/dbraw/zinc/34/54/79/1202345479.db2.gz OJSCNAAQACWRRX-HNNXBMFYSA-N 0 0 338.367 2.083 40 0 EEABRN Cc1nc([C@@H]2CCN(C(=O)Nc3cn(C)nc3C(F)(F)F)C2)no1 ZINC000930813637 1206585182 /nfs/dbraw/zinc/58/51/82/1206585182.db2.gz BCQRIMTYUUKOQY-MRVPVSSYSA-N 0 0 344.297 2.152 40 0 EEABRN Cc1nc([C@H]2CCN(C(=O)Nc3cn(C)nc3C(F)(F)F)C2)no1 ZINC000930813638 1206585189 /nfs/dbraw/zinc/58/51/89/1206585189.db2.gz BCQRIMTYUUKOQY-QMMMGPOBSA-N 0 0 344.297 2.152 40 0 EEABRN Cc1nn(C)cc1CN(C)C(=O)c1ccn(COc2ccccc2)n1 ZINC000028230643 1352374027 /nfs/dbraw/zinc/37/40/27/1352374027.db2.gz YISHWRGQJRRGAA-UHFFFAOYSA-N 0 0 339.399 2.234 40 0 EEABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]2(O)[C@H]1COCCC1=O ZINC001740816673 1406109593 /nfs/dbraw/zinc/10/95/93/1406109593.db2.gz NIICJULXMQKIPG-YWZLYKJASA-N 0 0 341.407 2.330 40 0 EEABRN CCN(c1cccnc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000057875082 214459783 /nfs/dbraw/zinc/45/97/83/214459783.db2.gz AIMCZAIMMSLBOB-UHFFFAOYSA-N 0 0 331.397 2.182 40 0 EEABRN COC(=O)c1sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C(N)=O)c1C ZINC000004646536 210237610 /nfs/dbraw/zinc/23/76/10/210237610.db2.gz KUNHUIBUUBEJFT-IVZWLZJFSA-N 0 0 336.413 2.317 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 ZINC000004568774 210223558 /nfs/dbraw/zinc/22/35/58/210223558.db2.gz XMIBBRSELZJOAC-UHFFFAOYSA-N 0 0 348.428 2.116 40 0 EEABRN Cc1nn(C)c2nc3cc(S(=O)(=O)N(C)C)ccc3c(Cl)c12 ZINC000255190013 282286103 /nfs/dbraw/zinc/28/61/03/282286103.db2.gz UJXFWCZCGJCRDO-UHFFFAOYSA-N 0 0 338.820 2.334 40 0 EEABRN COc1ccc(C(=O)C2CCN(C(=O)c3cn(C)cn3)CC2)cc1 ZINC000178187940 232104090 /nfs/dbraw/zinc/10/40/90/232104090.db2.gz YBEVSABAQIGNHB-UHFFFAOYSA-N 0 0 327.384 2.164 40 0 EEABRN CC(=O)N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc(Cl)c1 ZINC000004157318 210134139 /nfs/dbraw/zinc/13/41/39/210134139.db2.gz CLRNTUYCMVCXBM-HMEQZMJYSA-N 0 0 344.798 2.458 40 0 EEABRN COC[C@@]1(C)NC(=O)N(Cc2ccc(Br)cc2F)C1=O ZINC000066083696 215007703 /nfs/dbraw/zinc/00/77/03/215007703.db2.gz JVWSQRKFSHYVDN-CYBMUJFWSA-N 0 0 345.168 2.045 40 0 EEABRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCS1(=O)=O ZINC000066230632 215024899 /nfs/dbraw/zinc/02/48/99/215024899.db2.gz KCLULIHLUTXSFF-VIFPVBQESA-N 0 0 337.319 2.035 40 0 EEABRN CCn1nc(C)cc1C(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000066733236 215074550 /nfs/dbraw/zinc/07/45/50/215074550.db2.gz KAUZXDURBMTBFS-OAHLLOKOSA-N 0 0 343.431 2.444 40 0 EEABRN CN(C)Cc1cc(CC2(NCc3ccccc3Cl)COC2)no1 ZINC000067897789 215245493 /nfs/dbraw/zinc/24/54/93/215245493.db2.gz VBNNNEAVMPFURV-UHFFFAOYSA-N 0 0 335.835 2.491 40 0 biogenic,in-vitro EEABRN CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1 ZINC000040641741 213363665 /nfs/dbraw/zinc/36/36/65/213363665.db2.gz ZDFFIKMFTCFSED-UHFFFAOYSA-N 0 0 333.344 2.285 40 0 EEABRN CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000040073837 213259165 /nfs/dbraw/zinc/25/91/65/213259165.db2.gz KDDXEOYOQGBGIW-CYBMUJFWSA-N 0 0 326.400 2.253 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCO1 ZINC000096408151 295879955 /nfs/dbraw/zinc/87/99/55/295879955.db2.gz AOERMZUITSWXBW-FZMZJTMJSA-N 0 0 326.343 2.162 40 0 EEABRN Nc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000186012481 235809079 /nfs/dbraw/zinc/80/90/79/235809079.db2.gz JXSSQBZCELAJOK-HNNXBMFYSA-N 0 0 349.431 2.355 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)C1(Cc2ccccc2F)CC1 ZINC000187913731 236338481 /nfs/dbraw/zinc/33/84/81/236338481.db2.gz CKUWJCBACWXWBU-AWEZNQCLSA-N 0 0 336.432 2.138 40 0 EEABRN CNC(=O)c1cc(Br)ccc1I ZINC000045163587 283464131 /nfs/dbraw/zinc/46/41/31/283464131.db2.gz CWMSQEXVDRQURB-UHFFFAOYSA-N 0 0 339.958 2.413 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000072241914 216080593 /nfs/dbraw/zinc/08/05/93/216080593.db2.gz TXPTYHUPIKJJCT-ZOBUZTSGSA-N 0 0 334.391 2.030 40 0 EEABRN C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000072237929 216076240 /nfs/dbraw/zinc/07/62/40/216076240.db2.gz YSMQOAQYSZBOKO-ZOCIIQOWSA-N 0 0 338.407 2.462 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072360024 216166072 /nfs/dbraw/zinc/16/60/72/216166072.db2.gz JKFADNIEVBWYKN-AWEZNQCLSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000072378762 216181177 /nfs/dbraw/zinc/18/11/77/216181177.db2.gz GCOYUUOVTKKIGN-MRXNPFEDSA-N 0 0 334.383 2.343 40 0 EEABRN CCCOc1ccc(S(=O)(=O)NCCOC)cc1OCCC ZINC000072414210 216205556 /nfs/dbraw/zinc/20/55/56/216205556.db2.gz SPPAWLGBJINDDB-UHFFFAOYSA-N 0 0 331.434 2.189 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NC[C@H](C)c1ccccc1 ZINC000408706821 238296180 /nfs/dbraw/zinc/29/61/80/238296180.db2.gz FDZPRXAVVNAJMI-AWEZNQCLSA-N 0 0 326.396 2.231 40 0 EEABRN Cc1nnc(NC(=O)CCn2nc(C)c(Br)c2C)s1 ZINC000026531284 212524662 /nfs/dbraw/zinc/52/46/62/212524662.db2.gz CYHSAKZCDYFMEE-UHFFFAOYSA-N 0 0 344.238 2.451 40 0 EEABRN O=C(Nc1cccc(Br)c1)[C@@H]1CSCCC(=O)N1 ZINC000075171199 216595162 /nfs/dbraw/zinc/59/51/62/216595162.db2.gz VMAJERDVFCRXCW-JTQLQIEISA-N 0 0 329.219 2.009 40 0 EEABRN CCC1(CC)CN(C(=O)c2nc3cccnc3s2)CC[S@@]1=O ZINC000194021333 240405034 /nfs/dbraw/zinc/40/50/34/240405034.db2.gz LTVWEKMFXQURDA-QFIPXVFZSA-N 0 0 337.470 2.455 40 0 EEABRN CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022278501 212287631 /nfs/dbraw/zinc/28/76/31/212287631.db2.gz SSECQOVVFQRSGD-UHFFFAOYSA-N 0 0 336.388 2.075 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)n1 ZINC000194076859 240430192 /nfs/dbraw/zinc/43/01/92/240430192.db2.gz NVQXDTJOTITVOM-GXTWGEPZSA-N 0 0 349.460 2.067 40 0 EEABRN O=C([C@@H]1CCCN(c2ccnc3c(F)cccc23)C1)N1CCOCC1 ZINC000195578532 241025118 /nfs/dbraw/zinc/02/51/18/241025118.db2.gz PHIUKXPXEKECFX-CQSZACIVSA-N 0 0 343.402 2.449 40 0 EEABRN Cc1ccsc1CN(Cc1nc(CS(C)(=O)=O)no1)C(C)C ZINC000075647691 216649367 /nfs/dbraw/zinc/64/93/67/216649367.db2.gz ITJLYIPVYGPGIN-UHFFFAOYSA-N 0 0 343.474 2.395 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000222829415 241566919 /nfs/dbraw/zinc/56/69/19/241566919.db2.gz KLKINGUREISQNM-LBPRGKRZSA-N 0 0 349.456 2.411 40 0 EEABRN Cc1ccc(CNS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 ZINC000223332168 241635079 /nfs/dbraw/zinc/63/50/79/241635079.db2.gz DIIBPLYNZZLVEL-UHFFFAOYSA-N 0 0 346.408 2.227 40 0 EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000225492956 241896585 /nfs/dbraw/zinc/89/65/85/241896585.db2.gz GRWWWUUDKSWXDR-LBPRGKRZSA-N 0 0 333.413 2.159 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCC(C)CC2)n1 ZINC000225878077 242067383 /nfs/dbraw/zinc/06/73/83/242067383.db2.gz NEWLXMZJEHJWBV-UHFFFAOYSA-N 0 0 334.493 2.229 40 0 EEABRN S=C(NC[C@H]1CCCO1)Nc1nc(Cl)cc(N2CCCC2)n1 ZINC000225910435 242074731 /nfs/dbraw/zinc/07/47/31/242074731.db2.gz AKQAWQSPBONRGH-SNVBAGLBSA-N 0 0 341.868 2.196 40 0 EEABRN O=C(c1ccco1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225729843 242007181 /nfs/dbraw/zinc/00/71/81/242007181.db2.gz MSISWAOQKQZZRX-UHFFFAOYSA-N 0 0 326.278 2.051 40 0 EEABRN Cn1nc2c(cc1=O)C[C@H](C(=O)N1CC=C(c3ccccc3)CC1)CC2 ZINC000225740558 242012285 /nfs/dbraw/zinc/01/22/85/242012285.db2.gz GMZSZQPSEHIWLK-QGZVFWFLSA-N 0 0 349.434 2.201 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000226851735 242117277 /nfs/dbraw/zinc/11/72/77/242117277.db2.gz ZVMWGSRXKZDMQO-ZBFHGGJFSA-N 0 0 329.400 2.243 40 0 EEABRN CCOCC(=O)N1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000248289878 243556642 /nfs/dbraw/zinc/55/66/42/243556642.db2.gz KERJYYGNVZVUFS-QGZVFWFLSA-N 0 0 329.400 2.020 40 0 EEABRN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H](c2ccsc2)O1 ZINC000248745021 243614690 /nfs/dbraw/zinc/61/46/90/243614690.db2.gz FIWURYZEYXMBLC-ONGXEEELSA-N 0 0 347.366 2.259 40 0 EEABRN O=C(Nc1cccc(-n2ccnn2)c1)c1cnc(C2OCCO2)s1 ZINC000252497548 243816159 /nfs/dbraw/zinc/81/61/59/243816159.db2.gz QKCYKKCIAVUIKP-UHFFFAOYSA-N 0 0 343.368 2.022 40 0 EEABRN Cc1ccnc(OCC[C@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000253480639 244001027 /nfs/dbraw/zinc/00/10/27/244001027.db2.gz XYNMYXOXVJOHBW-INIZCTEOSA-N 0 0 345.443 2.362 40 0 EEABRN Cc1ccsc1CN1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 ZINC000253599110 244032245 /nfs/dbraw/zinc/03/22/45/244032245.db2.gz LBDSEYYAYAJBPH-HNNXBMFYSA-N 0 0 346.456 2.364 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 ZINC000257200442 244117645 /nfs/dbraw/zinc/11/76/45/244117645.db2.gz ADINUMSYPKMGPC-CQSZACIVSA-N 0 0 338.415 2.018 40 0 EEABRN CCn1nc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cc1C ZINC000257202280 244123166 /nfs/dbraw/zinc/12/31/66/244123166.db2.gz ALDHUHRUJGORMG-KZNAEPCWSA-N 0 0 343.427 2.254 40 0 EEABRN COc1cccc(NC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1 ZINC000077016744 216833681 /nfs/dbraw/zinc/83/36/81/216833681.db2.gz JSFQUVKTNYZNIR-UHFFFAOYSA-N 0 0 341.411 2.409 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257218385 244175672 /nfs/dbraw/zinc/17/56/72/244175672.db2.gz DCYDYHBAAJKPLV-GJZGRUSLSA-N 0 0 332.425 2.496 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000257210906 244150038 /nfs/dbraw/zinc/15/00/38/244150038.db2.gz BWQBKLHPRAXTFD-CQSZACIVSA-N 0 0 325.416 2.317 40 0 EEABRN Cn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c2ccccc21 ZINC000257222307 244188869 /nfs/dbraw/zinc/18/88/69/244188869.db2.gz DSUIPFYQUYJBRR-RTBURBONSA-N 0 0 336.391 2.443 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)ccn1 ZINC000257224361 244194126 /nfs/dbraw/zinc/19/41/26/244194126.db2.gz FBNHHOGBKXZCFY-INIZCTEOSA-N 0 0 327.432 2.343 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)CCCC3)C[C@]12CCCO2 ZINC000257238702 244235712 /nfs/dbraw/zinc/23/57/12/244235712.db2.gz HMDFNBDBDAPGSF-UYAOXDASSA-N 0 0 344.455 2.384 40 0 EEABRN Cc1nc(N)cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000257248585 244264159 /nfs/dbraw/zinc/26/41/59/244264159.db2.gz JEHYXJAMLCJLBS-CYBMUJFWSA-N 0 0 344.419 2.170 40 0 EEABRN Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257251379 244270111 /nfs/dbraw/zinc/27/01/11/244270111.db2.gz JQMVEYPTLIWLNP-HNNXBMFYSA-N 0 0 349.460 2.326 40 0 EEABRN O=c1cc(CC[C@H]2CN(CCc3ccc(F)cc3)CCO2)nc[nH]1 ZINC000257272741 244383489 /nfs/dbraw/zinc/38/34/89/244383489.db2.gz NDRBJXFMEJAWPD-KRWDZBQOSA-N 0 0 331.391 2.197 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257280872 244407969 /nfs/dbraw/zinc/40/79/69/244407969.db2.gz OMTMDUCUQMLACD-NSHDSACASA-N 0 0 328.372 2.069 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257314447 244502135 /nfs/dbraw/zinc/50/21/35/244502135.db2.gz UWZVLINXIDDTLB-CQSZACIVSA-N 0 0 338.415 2.247 40 0 EEABRN Cc1cc(OC(C)(C)C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)ccc1Cl ZINC000257332261 244553308 /nfs/dbraw/zinc/55/33/08/244553308.db2.gz XWMAPRGXWLRDEQ-RBSFLKMASA-N 0 0 341.835 2.196 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 ZINC000260752518 244590514 /nfs/dbraw/zinc/59/05/14/244590514.db2.gz YQQREOXPWDHJPZ-HNNXBMFYSA-N 0 0 338.473 2.328 40 0 EEABRN COCCCn1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000077513929 216925353 /nfs/dbraw/zinc/92/53/53/216925353.db2.gz ZZAHZRYMPYQFNF-OAHLLOKOSA-N 0 0 343.431 2.320 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCc3ccccc3)C2)o1 ZINC000019748094 212061303 /nfs/dbraw/zinc/06/13/03/212061303.db2.gz MWRPHRPQJFPFSN-INIZCTEOSA-N 0 0 341.411 2.112 40 0 EEABRN Cc1nn(C)c2nc(C3CCN(C(=O)c4cnccn4)CC3)ccc12 ZINC000019744662 212060280 /nfs/dbraw/zinc/06/02/80/212060280.db2.gz YRBULLREOWBXQD-UHFFFAOYSA-N 0 0 336.399 2.087 40 0 EEABRN COCC(=O)N1[C@@H]2CC[C@H]1c1cnn(-c3ccc(OC)cc3)c1C2 ZINC000019592701 212050110 /nfs/dbraw/zinc/05/01/10/212050110.db2.gz MKMMRNAFVHITQV-CJNGLKHVSA-N 0 0 327.384 2.116 40 0 EEABRN CN1CCN(CC(=O)N(c2ccccc2)c2ccc(O)cc2)CC1 ZINC000019589971 212048861 /nfs/dbraw/zinc/04/88/61/212048861.db2.gz FZOROIRODKZCAX-UHFFFAOYSA-N 0 0 325.412 2.304 40 0 EEABRN Cc1cc(=O)n(CC(=O)N[C@@H](C)Cc2ccccn2)c2ccccc12 ZINC000019566474 212043463 /nfs/dbraw/zinc/04/34/63/212043463.db2.gz ASZHXJRZRYZHNV-HNNXBMFYSA-N 0 0 335.407 2.452 40 0 EEABRN COCCC(=O)N[C@H](c1nc2c3c(C)c(C)oc3ncn2n1)C(C)C ZINC000019559470 212042911 /nfs/dbraw/zinc/04/29/11/212042911.db2.gz NFKPTZHMPCWGTB-AWEZNQCLSA-N 0 0 345.403 2.337 40 0 EEABRN CC(C)[S@](=O)c1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000078029495 217012401 /nfs/dbraw/zinc/01/24/01/217012401.db2.gz RKLMHBNPDBFCFX-UPCLLVRISA-N 0 0 344.436 2.159 40 0 EEABRN COc1ccc(-n2ccc(CNCc3ccc(C(N)=O)cc3)n2)cc1 ZINC000078552861 217073337 /nfs/dbraw/zinc/07/33/37/217073337.db2.gz VGWZUDZLTJRKBH-UHFFFAOYSA-N 0 0 336.395 2.270 40 0 EEABRN COC(=O)c1sc2cccc(F)c2c1CNC(=O)c1cnc[nH]1 ZINC000078657396 217096988 /nfs/dbraw/zinc/09/69/88/217096988.db2.gz QRIKBFPKJOTSOX-UHFFFAOYSA-N 0 0 333.344 2.480 40 0 EEABRN CC(C)Cc1noc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 ZINC000078774504 217118440 /nfs/dbraw/zinc/11/84/40/217118440.db2.gz XXMUJAUGOAOUPI-UHFFFAOYSA-N 0 0 327.381 2.228 40 0 EEABRN COc1ccc(OC)c(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)c1 ZINC000017071503 211952331 /nfs/dbraw/zinc/95/23/31/211952331.db2.gz DKPDFLIPZJUHEX-AWEZNQCLSA-N 0 0 342.351 2.432 40 0 EEABRN COc1ccsc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000078997854 217169848 /nfs/dbraw/zinc/16/98/48/217169848.db2.gz RUEATVWCVHTOKK-NSHDSACASA-N 0 0 334.372 2.431 40 0 EEABRN CC(C)[C@@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccccc1Cl ZINC000078973778 217161532 /nfs/dbraw/zinc/16/15/32/217161532.db2.gz JBINZZYMZIXIJA-IUODEOHRSA-N 0 0 326.824 2.440 40 0 EEABRN C[C@H]1NC(=S)N(c2cccc(CS(=O)(=O)C(C)(C)C)c2)C1=O ZINC000079028215 217176651 /nfs/dbraw/zinc/17/66/51/217176651.db2.gz XHWMANFSKXHGIJ-SNVBAGLBSA-N 0 0 340.470 2.010 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000078999603 217171375 /nfs/dbraw/zinc/17/13/75/217171375.db2.gz MFJAQLHCFYYBJI-IAGOWNOFSA-N 0 0 346.475 2.127 40 0 EEABRN CC(C)N(C)CC(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000079002086 217172329 /nfs/dbraw/zinc/17/23/29/217172329.db2.gz CVEHXZFQHJAIRN-UHFFFAOYSA-N 0 0 326.462 2.289 40 0 EEABRN CN(C(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1)c1nccs1 ZINC000079099740 217192923 /nfs/dbraw/zinc/19/29/23/217192923.db2.gz GEYNEDQYEXXDDH-HNNXBMFYSA-N 0 0 346.456 2.182 40 0 EEABRN C[C@H](C(=O)N(C)Cc1nnc2ccccn21)N1CCc2ccccc2C1 ZINC000079099020 217193588 /nfs/dbraw/zinc/19/35/88/217193588.db2.gz GLOIQRNODYHMTC-OAHLLOKOSA-N 0 0 349.438 2.135 40 0 EEABRN Cc1noc2nc(C)cc(C(=O)NCCNC(=O)CC3CCCC3)c12 ZINC000079335758 217211007 /nfs/dbraw/zinc/21/10/07/217211007.db2.gz SSLVEEYEBNLYQX-UHFFFAOYSA-N 0 0 344.415 2.266 40 0 EEABRN Cc1ncsc1C(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000079358628 217215315 /nfs/dbraw/zinc/21/53/15/217215315.db2.gz MWZUUJOGRUXERN-UHFFFAOYSA-N 0 0 332.429 2.308 40 0 EEABRN C[C@@H](C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)C(C)(C)C ZINC000079359941 217215426 /nfs/dbraw/zinc/21/54/26/217215426.db2.gz YZQZAKPYFRSULO-LBPRGKRZSA-N 0 0 329.404 2.004 40 0 EEABRN CC[N@@H+](CC(=O)[O-])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391564 217218198 /nfs/dbraw/zinc/21/81/98/217218198.db2.gz XNMZGTCIMCRZIO-UHFFFAOYSA-N 0 0 334.416 2.442 40 0 EEABRN CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1cccs1 ZINC000080583669 217315624 /nfs/dbraw/zinc/31/56/24/217315624.db2.gz TXVXHCNFTLURNY-NSHDSACASA-N 0 0 342.417 2.416 40 0 EEABRN Cc1cc(C)n([C@H](C)C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1 ZINC000080875921 217337434 /nfs/dbraw/zinc/33/74/34/217337434.db2.gz VECJFYKKVPLNDI-PXAZEXFGSA-N 0 0 337.370 2.363 40 0 EEABRN CS(=O)(=O)c1cccc(N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000081084189 217359763 /nfs/dbraw/zinc/35/97/63/217359763.db2.gz VEAHCRRKGWWZHC-HNNXBMFYSA-N 0 0 348.399 2.447 40 0 EEABRN O=C1[C@H](SCc2nnnn2C2CC2)CCCN1Cc1ccccc1 ZINC000089602586 217817718 /nfs/dbraw/zinc/81/77/18/217817718.db2.gz URTSXOLQDHGFQU-OAHLLOKOSA-N 0 0 343.456 2.432 40 0 EEABRN O=C1CCc2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc2N1 ZINC000012364719 211356733 /nfs/dbraw/zinc/35/67/33/211356733.db2.gz LRLAEFCOUYTWQT-RDJZCZTQSA-N 0 0 342.420 2.406 40 0 EEABRN Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2ccc(F)cc2)CC1 ZINC000012240313 211328503 /nfs/dbraw/zinc/32/85/03/211328503.db2.gz XUGNVXOHLKTVKR-UHFFFAOYSA-N 0 0 343.811 2.489 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1O2 ZINC000012183836 211312571 /nfs/dbraw/zinc/31/25/71/211312571.db2.gz ZTNCTMXTMYJZFB-QGZVFWFLSA-N 0 0 343.408 2.206 40 0 EEABRN O=C(CCn1cnnn1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181167 211311218 /nfs/dbraw/zinc/31/12/18/211311218.db2.gz DRLFYXRYNOVMQZ-VHRNVKJDSA-N 0 0 329.379 2.140 40 0 EEABRN Cc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)on1 ZINC000012223034 211323401 /nfs/dbraw/zinc/32/34/01/211323401.db2.gz VOFHJJJHLRPGAC-UHFFFAOYSA-N 0 0 340.383 2.000 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N3CCCC3)c(=O)c1n2C(C)C ZINC000012131849 211302222 /nfs/dbraw/zinc/30/22/22/211302222.db2.gz FITQIKYTEIGCCA-UHFFFAOYSA-N 0 0 342.399 2.456 40 0 EEABRN COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(C)no4)C[C@@H]32)c1 ZINC000012121187 211300656 /nfs/dbraw/zinc/30/06/56/211300656.db2.gz QEFDJHBTLXWNJS-AZOIQLNYSA-N 0 0 342.395 2.361 40 0 EEABRN Cc1ccc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)cc1F ZINC000012114620 211294534 /nfs/dbraw/zinc/29/45/34/211294534.db2.gz YJCNEEVPWLZDDL-UHFFFAOYSA-N 0 0 343.402 2.451 40 0 EEABRN CO[C@@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 ZINC000012114593 211293675 /nfs/dbraw/zinc/29/36/75/211293675.db2.gz AESJGACOFDNVLV-QGZVFWFLSA-N 0 0 326.396 2.279 40 0 EEABRN C[C@H]1CCCN(C(=O)CN2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)C1 ZINC000012114395 211293256 /nfs/dbraw/zinc/29/32/56/211293256.db2.gz XTXXKZQSPJGYCO-IZQGTLBWSA-N 0 0 332.444 2.353 40 0 EEABRN Cn1nc(C(=O)O[C@@H](c2nccs2)c2ccccc2)ccc1=O ZINC000091767066 218062137 /nfs/dbraw/zinc/06/21/37/218062137.db2.gz DMBGZTIOKKXFGJ-CQSZACIVSA-N 0 0 327.365 2.183 40 0 EEABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)C(F)(F)F ZINC000010119887 211150352 /nfs/dbraw/zinc/15/03/52/211150352.db2.gz HIJVDCHIAPSVAZ-UHFFFAOYSA-N 0 0 343.290 2.362 40 0 EEABRN COc1ncnc(N)c1CN1CCC(Nc2ccccc2F)CC1 ZINC000093607928 218235134 /nfs/dbraw/zinc/23/51/34/218235134.db2.gz BLGKYIWYSBQDEW-UHFFFAOYSA-N 0 0 331.395 2.283 40 0 EEABRN C[C@@H]1CN=C(N2CCN(Cc3ccc(N4CCCC4)nc3)CC2)S1 ZINC000093663002 218240438 /nfs/dbraw/zinc/24/04/38/218240438.db2.gz LCPGSWAOQWTQLS-OAHLLOKOSA-N 0 0 345.516 2.291 40 0 EEABRN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095398310 218331204 /nfs/dbraw/zinc/33/12/04/218331204.db2.gz HBUGEMSPSCCTSH-BZNIZROVSA-N 0 0 335.367 2.048 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058021 218549867 /nfs/dbraw/zinc/54/98/67/218549867.db2.gz SGJYCVZXKBHESP-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN COc1ccc(CC(=O)N2CCC3(CCCC(=O)N3C)CC2)cc1 ZINC000096158591 218632436 /nfs/dbraw/zinc/63/24/36/218632436.db2.gz OENCFJCYAWLWHI-UHFFFAOYSA-N 0 0 330.428 2.241 40 0 EEABRN O=C(c1ccccc1)N1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096216451 218690428 /nfs/dbraw/zinc/69/04/28/218690428.db2.gz LELGVVFWWMXTDK-VQIMIIECSA-N 0 0 328.412 2.073 40 0 EEABRN O=C(NCCc1cccnc1)c1cc2c(s1)CCN2C(=O)C1CC1 ZINC000096264590 218732555 /nfs/dbraw/zinc/73/25/55/218732555.db2.gz AMJBAWBHUQHXHY-UHFFFAOYSA-N 0 0 341.436 2.415 40 0 EEABRN CC(C)Cc1cc(C(=O)NCCc2noc(-c3ccccn3)n2)[nH]n1 ZINC000096405462 218756099 /nfs/dbraw/zinc/75/60/99/218756099.db2.gz RPTMOSAIDRSDOG-UHFFFAOYSA-N 0 0 340.387 2.026 40 0 EEABRN Cc1noc(C)c1C[C@H](C)C(=O)NCCC(=O)Nc1ccncc1 ZINC000096416964 218778098 /nfs/dbraw/zinc/77/80/98/218778098.db2.gz NKFBWGYUVBFJOW-NSHDSACASA-N 0 0 330.388 2.010 40 0 EEABRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1n1cnnc1 ZINC000003154127 285018039 /nfs/dbraw/zinc/01/80/39/285018039.db2.gz HPBLKSBPZCOMLS-UHFFFAOYSA-N 0 0 343.140 2.126 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)CCO1 ZINC000096460853 533014258 /nfs/dbraw/zinc/01/42/58/533014258.db2.gz NWNVIFBQNYXPJO-INIZCTEOSA-N 0 0 346.452 2.302 40 0 EEABRN C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccnn1C ZINC000096426206 218796247 /nfs/dbraw/zinc/79/62/47/218796247.db2.gz PGEOGXVHNHQJJO-JTQLQIEISA-N 0 0 338.205 2.266 40 0 EEABRN CC[C@@](C)(NC(=O)c1cccc(-n2cnnn2)c1)c1nc(C)cs1 ZINC000096423360 218790824 /nfs/dbraw/zinc/79/08/24/218790824.db2.gz DYHGUOYSJSOMNN-MRXNPFEDSA-N 0 0 342.428 2.482 40 0 EEABRN Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000096427870 218800043 /nfs/dbraw/zinc/80/00/43/218800043.db2.gz GVNZBQPMVCAJEW-CYBMUJFWSA-N 0 0 342.436 2.059 40 0 EEABRN O=C(CN(Cc1noc2c1CCCC2)C[C@@H]1CCCO1)N1CCCC1 ZINC000096441687 218823965 /nfs/dbraw/zinc/82/39/65/218823965.db2.gz SMSQSCMKCVTFAA-HNNXBMFYSA-N 0 0 347.459 2.157 40 0 EEABRN CN(CC1CCC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000096447188 218829514 /nfs/dbraw/zinc/82/95/14/218829514.db2.gz HNAAKELWMVPLSI-UHFFFAOYSA-N 0 0 333.436 2.206 40 0 EEABRN CCc1nc(CCNC(=O)N[C@H]2CCCC[C@H]2CO)sc1C ZINC000096448374 218831648 /nfs/dbraw/zinc/83/16/48/218831648.db2.gz BSDWJDWIZIDCET-JSGCOSHPSA-N 0 0 325.478 2.407 40 0 EEABRN C[C@H](C1CC1)N(C(=O)CN1C(=O)c2ccc(F)cc2C1=O)C1CC1 ZINC000096452649 218835675 /nfs/dbraw/zinc/83/56/75/218835675.db2.gz SWPRFTSPWGJQPZ-SNVBAGLBSA-N 0 0 330.359 2.211 40 0 EEABRN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCCS1(=O)=O ZINC000096455264 218839992 /nfs/dbraw/zinc/83/99/92/218839992.db2.gz BZROLKUIOHTUQS-UHFFFAOYSA-N 0 0 325.821 2.370 40 0 EEABRN Cc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3sccc3n21 ZINC000005108715 210391555 /nfs/dbraw/zinc/39/15/55/210391555.db2.gz HTUNVDDGQCBBOK-UHFFFAOYSA-N 0 0 330.413 2.078 40 0 EEABRN CCOCCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004983854 210349902 /nfs/dbraw/zinc/34/99/02/210349902.db2.gz LXJNJBNMJRSXHJ-VKAVYKQESA-N 0 0 341.411 2.328 40 0 EEABRN O=C(N/C(=C\c1ccco1)C(=O)N1CCC(O)CC1)c1ccccc1 ZINC000004954026 210339273 /nfs/dbraw/zinc/33/92/73/210339273.db2.gz NYZPKVLZHKCKMJ-LGMDPLHJSA-N 0 0 340.379 2.034 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000004944454 210336532 /nfs/dbraw/zinc/33/65/32/210336532.db2.gz XFQKWRCBARSXAY-SECBINFHSA-N 0 0 345.380 2.085 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(OC)c1)CC(=O)N2 ZINC000004944395 210334657 /nfs/dbraw/zinc/33/46/57/210334657.db2.gz PYJUBMVAOYVRKA-VIFPVBQESA-N 0 0 347.396 2.070 40 0 EEABRN C[C@H](Sc1nnc(CCC(N)=O)n1C)c1nc2ccccc2o1 ZINC000097232472 219001300 /nfs/dbraw/zinc/00/13/00/219001300.db2.gz FCOHFFQLTSBAFV-VIFPVBQESA-N 0 0 331.401 2.228 40 0 EEABRN COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCC(C)CC1 ZINC000004847681 210299234 /nfs/dbraw/zinc/29/92/34/210299234.db2.gz FZOASIDIPQPXGQ-KRWDZBQOSA-N 0 0 345.447 2.149 40 0 EEABRN Cc1c(CNc2nnc([C@H]3COc4ccccc4O3)o2)cnn1C ZINC000097375453 219018430 /nfs/dbraw/zinc/01/84/30/219018430.db2.gz YWPAIGSUFUUJRW-CQSZACIVSA-N 0 0 327.344 2.236 40 0 EEABRN C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)N1CCCCC1 ZINC000097380086 219021216 /nfs/dbraw/zinc/02/12/16/219021216.db2.gz MZLOKPCRMCMVKM-JTQLQIEISA-N 0 0 348.827 2.158 40 0 EEABRN C[C@]12CC[C@H]3[C@@H](C[C@H](N4CC4)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922977 221204320 /nfs/dbraw/zinc/20/43/20/221204320.db2.gz DLLYIRQRNHFLFN-IQOFMAAZSA-N 0 0 347.499 2.368 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)c(C)o1 ZINC000306139888 257923944 /nfs/dbraw/zinc/92/39/44/257923944.db2.gz UDMOTGXRLXKDHZ-JKSUJKDBSA-N 0 0 325.368 2.311 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@H](C)O1 ZINC000252506147 257999864 /nfs/dbraw/zinc/99/98/64/257999864.db2.gz QRTZUUSWXNRGED-OQMKEHIESA-N 0 0 336.457 2.293 40 0 EEABRN COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(OC)nn2)cc1 ZINC000330033211 258002521 /nfs/dbraw/zinc/00/25/21/258002521.db2.gz XIGNMBRZKKPPSU-MRXNPFEDSA-N 0 0 342.399 2.097 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598897 285489982 /nfs/dbraw/zinc/48/99/82/285489982.db2.gz BKDRSCVPSOMDNX-BZSNNMDCSA-N 0 0 349.427 2.418 40 0 EEABRN O=C(NCCN1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000055111895 132194056 /nfs/dbraw/zinc/19/40/56/132194056.db2.gz JBXQVVZADRIEFT-UHFFFAOYSA-N 0 0 327.403 2.378 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCCc2ccccc21 ZINC000013688960 135702427 /nfs/dbraw/zinc/70/24/27/135702427.db2.gz GSSMFCMGSSQZCE-IYBDPMFKSA-N 0 0 338.407 2.307 40 0 EEABRN COc1c(C)cnc(CN(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)c1C ZINC000245339308 286182158 /nfs/dbraw/zinc/18/21/58/286182158.db2.gz RWTGTNCHMXBISM-HUUCEWRRSA-N 0 0 326.462 2.105 40 0 EEABRN C[C@H](Cn1cncn1)Nc1ccnc2cc(Br)cnc21 ZINC000157291623 224801456 /nfs/dbraw/zinc/80/14/56/224801456.db2.gz MMCIVFKUYPNSGK-SECBINFHSA-N 0 0 333.193 2.484 40 0 EEABRN CCN(C[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)CC(F)(F)F ZINC000278776763 269242236 /nfs/dbraw/zinc/24/22/36/269242236.db2.gz HBEBAHRZOJIOKZ-NSHDSACASA-N 0 0 331.338 2.134 40 0 EEABRN Cc1cnc(N2CCc3ncnc(Oc4cccnc4)c3CC2)nc1 ZINC000096084065 274826527 /nfs/dbraw/zinc/82/65/27/274826527.db2.gz VAIROFCQYMIJSK-UHFFFAOYSA-N 0 0 334.383 2.368 40 0 EEABRN CO[C@@H](C)C(=O)Nc1ccccc1C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000192990674 277275260 /nfs/dbraw/zinc/27/52/60/277275260.db2.gz ZOJYPDCVFSEVKB-KBPBESRZSA-N 0 0 348.443 2.401 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnc(C)cn1 ZINC000257298961 278071471 /nfs/dbraw/zinc/07/14/71/278071471.db2.gz ROCBPOHYQDLOBY-LKCYJCQHSA-N 0 0 342.443 2.179 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000096425558 278933715 /nfs/dbraw/zinc/93/37/15/278933715.db2.gz WSPCNPLFYFSAGC-CQSZACIVSA-N 0 0 338.473 2.176 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)c2c(C)noc2C)CCN1C ZINC000257280392 295391897 /nfs/dbraw/zinc/39/18/97/295391897.db2.gz OKQUEAVLVZRKSR-HNNXBMFYSA-N 0 0 329.400 2.429 40 0 EEABRN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000096416063 301809970 /nfs/dbraw/zinc/80/99/70/301809970.db2.gz UYFNENRGGQOSTE-UONOGXRCSA-N 0 0 340.445 2.402 40 0 EEABRN Cc1csc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1 ZINC000189152448 302452583 /nfs/dbraw/zinc/45/25/83/302452583.db2.gz ILWAUSZVEZLEGU-SNVBAGLBSA-N 0 0 330.456 2.275 40 0 EEABRN NC(=O)CC[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000078881527 303247709 /nfs/dbraw/zinc/24/77/09/303247709.db2.gz OJMGHWSOJUVHFL-NSHDSACASA-N 0 0 346.399 2.165 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cncc(F)c1 ZINC000329131137 311651159 /nfs/dbraw/zinc/65/11/59/311651159.db2.gz ABOPXPGDBSMRDF-AWEZNQCLSA-N 0 0 338.408 2.097 40 0 EEABRN CC[C@H](C)n1nc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000331561141 311871711 /nfs/dbraw/zinc/87/17/11/311871711.db2.gz FWRXYDHMHCGXPR-ZFWWWQNUSA-N 0 0 342.447 2.351 40 0 EEABRN CCn1nncc1CNC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000529079380 317533607 /nfs/dbraw/zinc/53/36/07/317533607.db2.gz IBUBOYMDTRYDCI-UHFFFAOYSA-N 0 0 325.376 2.114 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H](C)[C@@H]2CO)c1 ZINC000097094683 323320435 /nfs/dbraw/zinc/32/04/35/323320435.db2.gz IPMFSBGUBGMPGA-WBVHZDCISA-N 0 0 325.474 2.252 40 0 EEABRN C/C(=C\c1ccccc1)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000190991635 323471499 /nfs/dbraw/zinc/47/14/99/323471499.db2.gz BECBTBIRCZRBIF-BMRADRMJSA-N 0 0 348.512 2.285 40 0 EEABRN CN(C(=O)c1cc(Cl)cn1C)c1ccc(N2CCOCC2)nc1 ZINC000184797058 465026632 /nfs/dbraw/zinc/02/66/32/465026632.db2.gz CXPCFGXBOQYXLO-UHFFFAOYSA-N 0 0 334.807 2.187 40 0 EEABRN O=C(Nc1ccc(-c2ccccc2)nn1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333890823 465035197 /nfs/dbraw/zinc/03/51/97/465035197.db2.gz GWLHSLGXOIPOLK-HRCADAONSA-N 0 0 338.411 2.768 40 0 EEABRN Cc1cc([O-])c2c(=O)c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c-2o1 ZINC000000000397 462540051 /nfs/dbraw/zinc/54/00/51/462540051.db2.gz KCPBQMACNLBNSA-LLVKDONJSA-N 0 0 347.367 2.291 40 0 in-man EEABRN Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCCC2=O)no1 ZINC000085467426 462549203 /nfs/dbraw/zinc/54/92/03/462549203.db2.gz PYEKXBKIXPSPNP-OAHLLOKOSA-N 0 0 345.374 2.086 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)s1 ZINC000085560258 462552419 /nfs/dbraw/zinc/55/24/19/462552419.db2.gz UALDTZRKMVRAHT-INIZCTEOSA-N 0 0 337.466 2.255 40 0 EEABRN O=C(CNS(=O)(=O)c1ccccc1)OCc1cccc(Cl)c1 ZINC000000515061 462567548 /nfs/dbraw/zinc/56/75/48/462567548.db2.gz CEQNFTAHDTUMGW-UHFFFAOYSA-N 0 0 339.800 2.362 40 0 EEABRN COc1cc(C(=S)N2CCCC2)ccc1OCC(=O)N1CCCC1 ZINC000001105207 462577646 /nfs/dbraw/zinc/57/76/46/462577646.db2.gz OHCQOIKYTXLTJN-UHFFFAOYSA-N 0 0 348.468 2.468 40 0 EEABRN COc1ccc(COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001873099 462587840 /nfs/dbraw/zinc/58/78/40/462587840.db2.gz HEQPVEUQIQBDPG-UHFFFAOYSA-N 0 0 325.320 2.035 40 0 EEABRN COCCO[C@@H](C)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000074509154 462608781 /nfs/dbraw/zinc/60/87/81/462608781.db2.gz CEFFIOLIIDVUPD-JTQLQIEISA-N 0 0 348.212 2.298 40 0 EEABRN COc1ccc(N(CCCC(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000113966735 462618574 /nfs/dbraw/zinc/61/85/74/462618574.db2.gz WWVWHJOXDQKGNG-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN Cc1c(Br)cccc1C(=O)N[C@@H](C)CN1CCCC1=O ZINC000088444817 462630798 /nfs/dbraw/zinc/63/07/98/462630798.db2.gz LGKJKTUKMDVIMB-JTQLQIEISA-N 0 0 339.233 2.498 40 0 EEABRN O=C(NCc1nccn1Cc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000074818070 462638114 /nfs/dbraw/zinc/63/81/14/462638114.db2.gz QLSBNCALGJSOSG-CVEARBPZSA-N 0 0 328.416 2.034 40 0 EEABRN C1CCC(Nc2nc(NC3CCCC3)nc(N3CCOCC3)n2)C1 ZINC000005255858 462651842 /nfs/dbraw/zinc/65/18/42/462651842.db2.gz VLIQIYKCFPVYCC-UHFFFAOYSA-N 0 0 332.452 2.417 40 0 EEABRN CSc1nc(=O)c2[n+]([n-]1)[C@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000005587007 462663750 /nfs/dbraw/zinc/66/37/50/462663750.db2.gz PXVBCBSVPHTUCI-OAHLLOKOSA-O 0 0 339.400 2.124 40 0 EEABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000006324847 462683282 /nfs/dbraw/zinc/68/32/82/462683282.db2.gz AHXVCGRUWMEOKP-GFCCVEGCSA-N 0 0 329.418 2.014 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006426797 462685424 /nfs/dbraw/zinc/68/54/24/462685424.db2.gz NNUGIBMSQVIBBW-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN CNC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000006531670 462688480 /nfs/dbraw/zinc/68/84/80/462688480.db2.gz SICSDPHQFCSAKK-UHFFFAOYSA-N 0 0 339.424 2.227 40 0 EEABRN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(N2CCOCC2)nn1 ZINC000075172707 462690672 /nfs/dbraw/zinc/69/06/72/462690672.db2.gz GABLELGBETYKFK-UHFFFAOYSA-N 0 0 338.411 2.215 40 0 EEABRN COc1cccc2sc(N3CC(C(=O)NCC(F)(F)F)C3)nc21 ZINC000075172309 462691225 /nfs/dbraw/zinc/69/12/25/462691225.db2.gz MZTUNRLCRLEVRQ-UHFFFAOYSA-N 0 0 345.346 2.420 40 0 EEABRN Cc1sc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1 ZINC000006679669 462695950 /nfs/dbraw/zinc/69/59/50/462695950.db2.gz SZFKTKHCTFKTJP-UHFFFAOYSA-N 0 0 341.414 2.081 40 0 EEABRN Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ccc(C)cc2)cc1 ZINC000006814339 462706622 /nfs/dbraw/zinc/70/66/22/462706622.db2.gz KOVIJIYQGXHMPS-UHFFFAOYSA-N 0 0 340.423 2.168 40 0 EEABRN CCCNC(=O)CSc1nnc(Cc2ccccc2)n1CCOC ZINC000006879736 462710158 /nfs/dbraw/zinc/71/01/58/462710158.db2.gz ZBYCVPNKHAFUKF-UHFFFAOYSA-N 0 0 348.472 2.134 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000006946437 462713532 /nfs/dbraw/zinc/71/35/32/462713532.db2.gz BGIOUUBQABKFIN-ZDUSSCGKSA-N 0 0 326.462 2.320 40 0 EEABRN COc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1F ZINC000007360526 462732033 /nfs/dbraw/zinc/73/20/33/462732033.db2.gz HZZIPSLPBDMMDB-UHFFFAOYSA-N 0 0 339.344 2.406 40 0 EEABRN CCOC(=O)c1ccc(N2CCN(Cc3ncc(CC)o3)CC2)nc1 ZINC000075637143 462743161 /nfs/dbraw/zinc/74/31/61/462743161.db2.gz FFJIESNVONNGKU-UHFFFAOYSA-N 0 0 344.415 2.131 40 0 EEABRN C[C@@]1(c2cccc(NC(=O)C=Cc3cccs3)c2)NC(=O)NC1=O ZINC000047191004 462753384 /nfs/dbraw/zinc/75/33/84/462753384.db2.gz DBLNKXDSBNKFEO-OZSKJFCKSA-N 0 0 341.392 2.455 40 0 EEABRN CCOc1ccc(N2C[C@H](C(=O)Nc3nnc(C)s3)CC2=O)cc1 ZINC000008473976 462784348 /nfs/dbraw/zinc/78/43/48/462784348.db2.gz YDSGGRVHJDDOIX-LLVKDONJSA-N 0 0 346.412 2.237 40 0 EEABRN Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)s1 ZINC000008473990 462784731 /nfs/dbraw/zinc/78/47/31/462784731.db2.gz PBSSWKLMISSUGF-LBPRGKRZSA-N 0 0 330.413 2.455 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326387 462817743 /nfs/dbraw/zinc/81/77/43/462817743.db2.gz DZPNEHIQEKKVJH-CYBMUJFWSA-N 0 0 344.436 2.495 40 0 EEABRN CCCn1ncc(C(=O)N[C@H](C)Cn2nnc3ccccc32)c1C ZINC000012141916 462844903 /nfs/dbraw/zinc/84/49/03/462844903.db2.gz QEOLAMXPHHITJW-GFCCVEGCSA-N 0 0 326.404 2.165 40 0 EEABRN COC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048007542 462848004 /nfs/dbraw/zinc/84/80/04/462848004.db2.gz IRTPLMHXGWBWAZ-BFHYXJOUSA-N 0 0 349.431 2.092 40 0 EEABRN Cc1noc(-c2cnc(C)nc2CCNC(=O)c2ccccn2)c1C ZINC000012747676 462866215 /nfs/dbraw/zinc/86/62/15/462866215.db2.gz ZBRRVQVVKZLBGR-UHFFFAOYSA-N 0 0 337.383 2.424 40 0 EEABRN O=C(CCCc1ccncc1)N1CCC(O)(c2cccnc2F)CC1 ZINC000013265812 462889141 /nfs/dbraw/zinc/88/91/41/462889141.db2.gz KQVNCSRJZTVZRB-UHFFFAOYSA-N 0 0 343.402 2.449 40 0 EEABRN COc1ccc(OC)c(NC(=O)CNC(=O)c2cccc(C)c2)c1 ZINC000014153128 462914152 /nfs/dbraw/zinc/91/41/52/462914152.db2.gz IAGKBLIXPWDQIR-UHFFFAOYSA-N 0 0 328.368 2.381 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N(C)CC[C@@H](C)O ZINC000133392056 462926010 /nfs/dbraw/zinc/92/60/10/462926010.db2.gz DGDXIPXJDLCXRM-SNVBAGLBSA-N 0 0 336.251 2.149 40 0 EEABRN CCc1ncc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cn1 ZINC000155888173 462956280 /nfs/dbraw/zinc/95/62/80/462956280.db2.gz YPMCKHVEASVYQD-GOSISDBHSA-N 0 0 340.427 2.176 40 0 EEABRN CC(=O)c1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)cc1 ZINC000016777918 462989834 /nfs/dbraw/zinc/98/98/34/462989834.db2.gz YZWKBUKBWPOMQB-UHFFFAOYSA-N 0 0 341.396 2.368 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@H]1CCNC(=O)C1CCCC1 ZINC000019746350 463020327 /nfs/dbraw/zinc/02/03/27/463020327.db2.gz TYQCHIDFPBLZKM-KRWDZBQOSA-N 0 0 346.475 2.269 40 0 EEABRN Cc1cc(C)cc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c1 ZINC000077842447 463061080 /nfs/dbraw/zinc/06/10/80/463061080.db2.gz AXZOYQYXOWOSDV-UHFFFAOYSA-N 0 0 330.388 2.107 40 0 EEABRN COc1c(Br)c(C(=O)Nc2cccc(C)n2)nn1C ZINC000096181034 463193803 /nfs/dbraw/zinc/19/38/03/463193803.db2.gz YDXCVCGCOVNPRT-UHFFFAOYSA-N 0 0 325.166 2.147 40 0 EEABRN CN(C)C(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC000096038287 463142947 /nfs/dbraw/zinc/14/29/47/463142947.db2.gz VQCNLIUMAYWQNA-UHFFFAOYSA-N 0 0 342.447 2.191 40 0 EEABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000025903321 463143144 /nfs/dbraw/zinc/14/31/44/463143144.db2.gz YRIROFAITVPQLW-DGCLKSJQSA-N 0 0 344.864 2.189 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 ZINC000096041038 463145468 /nfs/dbraw/zinc/14/54/68/463145468.db2.gz FMSVBNASOBINMH-JQFCIGGWSA-N 0 0 327.384 2.293 40 0 EEABRN CCn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cc(C)on1)CC2 ZINC000096044521 463148676 /nfs/dbraw/zinc/14/86/76/463148676.db2.gz HSWYHRWXVMRFTB-INIZCTEOSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1cccc(COC[C@@H]2CN(C(=O)C3CC3)Cc3ncn(C)c32)n1 ZINC000096045044 463149262 /nfs/dbraw/zinc/14/92/62/463149262.db2.gz VXSURAFUGPOLFB-HNNXBMFYSA-N 0 0 340.427 2.176 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)o1 ZINC000096061473 463161704 /nfs/dbraw/zinc/16/17/04/463161704.db2.gz CYBIMUIDFNUCOW-OAHLLOKOSA-N 0 0 339.395 2.262 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@@H]2O1 ZINC000096065490 463163146 /nfs/dbraw/zinc/16/31/46/463163146.db2.gz HVTXQHKSJOXDFA-QEJZJMRPSA-N 0 0 344.440 2.156 40 0 EEABRN Cc1cccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC000096074838 463166939 /nfs/dbraw/zinc/16/69/39/463166939.db2.gz LXBXHIPVZTZKFB-IBGZPJMESA-N 0 0 339.443 2.051 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cs1 ZINC000096072811 463166974 /nfs/dbraw/zinc/16/69/74/463166974.db2.gz DPAQIXHOIHDGST-XJKSGUPXSA-N 0 0 349.435 2.226 40 0 EEABRN C[C@@H]1CN(C(=O)c2cccs2)CC[C@]12CC[C@H](C(=O)N(C)C)O2 ZINC000096087315 463170534 /nfs/dbraw/zinc/17/05/34/463170534.db2.gz HZULIKVJSQDJJT-PBFPGSCMSA-N 0 0 336.457 2.236 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3C2)cs1 ZINC000096108142 463174859 /nfs/dbraw/zinc/17/48/59/463174859.db2.gz HHQKYBLRCNEJCJ-GOEBONIOSA-N 0 0 347.440 2.018 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC000096108976 463176830 /nfs/dbraw/zinc/17/68/30/463176830.db2.gz YNJTXPNPUUPDBU-IEBWSBKVSA-N 0 0 328.412 2.184 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccnnc3)CC[C@H]2OC)cc1 ZINC000096110251 463178975 /nfs/dbraw/zinc/17/89/75/463178975.db2.gz MNCWTEFZAINKLT-FUHWJXTLSA-N 0 0 341.411 2.205 40 0 EEABRN Cn1c(CNC(=O)CCCc2nnc3ccccn32)nc2ccccc21 ZINC000096117208 463181043 /nfs/dbraw/zinc/18/10/43/463181043.db2.gz QTRICUOOKSAKPZ-UHFFFAOYSA-N 0 0 348.410 2.255 40 0 EEABRN CN(CC1CC1)c1ccc2ccc(C(=O)N3CCC[C@@H](O)C3)cn21 ZINC000096146162 463185994 /nfs/dbraw/zinc/18/59/94/463185994.db2.gz XFURKFXLMRPCEK-QGZVFWFLSA-N 0 0 327.428 2.382 40 0 EEABRN COc1c(Br)c(C(=O)Nc2cccc(OC)c2)nn1C ZINC000096181031 463193165 /nfs/dbraw/zinc/19/31/65/463193165.db2.gz OUDPIXGFMSPCJS-UHFFFAOYSA-N 0 0 340.177 2.452 40 0 EEABRN Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)s1 ZINC000096181535 463194354 /nfs/dbraw/zinc/19/43/54/463194354.db2.gz WWEFUAJFJFTWPA-CABCVRRESA-N 0 0 345.424 2.297 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCCC3)OCC(=O)N2C)cc1 ZINC000096181561 463194921 /nfs/dbraw/zinc/19/49/21/463194921.db2.gz MABHPSBHCVFLPL-QZTJIDSGSA-N 0 0 330.428 2.296 40 0 EEABRN Cc1occc1C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187186 463198506 /nfs/dbraw/zinc/19/85/06/463198506.db2.gz RGXSLGKBIZYLJF-VYDXJSESSA-N 0 0 328.368 2.434 40 0 EEABRN COCCO[C@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1ccncc1 ZINC000096200766 463205870 /nfs/dbraw/zinc/20/58/70/463205870.db2.gz JMVZASSVQJTJEO-ROUUACIJSA-N 0 0 330.428 2.223 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2ccc(C)cc2)[C@H]1Cc1cnn(C)c1 ZINC000096200206 463206121 /nfs/dbraw/zinc/20/61/21/463206121.db2.gz PIGQYDRALCFZCF-ZWKOTPCHSA-N 0 0 327.428 2.130 40 0 EEABRN Cc1cc(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)no1 ZINC000096209185 463211882 /nfs/dbraw/zinc/21/18/82/463211882.db2.gz CNAOMSRVOWPAOK-HNNXBMFYSA-N 0 0 339.399 2.286 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 ZINC000096218406 463215569 /nfs/dbraw/zinc/21/55/69/463215569.db2.gz NZPAEMUEUFNESL-KDOFPFPSSA-N 0 0 327.384 2.184 40 0 EEABRN COc1ccc(CN2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1 ZINC000096225447 463221478 /nfs/dbraw/zinc/22/14/78/463221478.db2.gz KDXMAZNWDYNMRZ-IBGZPJMESA-N 0 0 345.443 2.188 40 0 EEABRN O=C(c1ccco1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245329 463225486 /nfs/dbraw/zinc/22/54/86/463225486.db2.gz KERVISXDPHNAAP-HIFRSBDPSA-N 0 0 328.343 2.149 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC2CCCC2)cn1 ZINC000096248706 463226378 /nfs/dbraw/zinc/22/63/78/463226378.db2.gz WNYWGPKTAJWNPF-MSOLQXFVSA-N 0 0 329.444 2.105 40 0 EEABRN c1cnc(N2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096250042 463226466 /nfs/dbraw/zinc/22/64/66/463226466.db2.gz PHUASLJELSLMJX-YESZJQIVSA-N 0 0 326.400 2.072 40 0 EEABRN CN(C)c1ncnc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096255412 463228125 /nfs/dbraw/zinc/22/81/25/463228125.db2.gz OBXUHBOBGVMABY-UHFFFAOYSA-N 0 0 335.411 2.265 40 0 EEABRN CCOc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000028914342 463236746 /nfs/dbraw/zinc/23/67/46/463236746.db2.gz XCCVEQJCPPADGG-CQSZACIVSA-N 0 0 349.408 2.204 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1CCCC1 ZINC000096375483 463237526 /nfs/dbraw/zinc/23/75/26/463237526.db2.gz RJLGLFUMTMBLRH-ONXXMXGDSA-N 0 0 331.503 2.229 40 0 EEABRN CCn1cc(S(=O)(=O)N2CC=C(c3ccc(OC)cc3)CC2)cn1 ZINC000096403664 463238443 /nfs/dbraw/zinc/23/84/43/463238443.db2.gz VEBJNIDJQKDINH-UHFFFAOYSA-N 0 0 347.440 2.390 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)NCCc3cccnc3)CC2)n1 ZINC000096408748 463241277 /nfs/dbraw/zinc/24/12/77/463241277.db2.gz JRPRXERJMXEVRL-UHFFFAOYSA-N 0 0 339.443 2.296 40 0 EEABRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000096411301 463244074 /nfs/dbraw/zinc/24/40/74/463244074.db2.gz IPTYFOSSZMVEMJ-WBVHZDCISA-N 0 0 332.444 2.374 40 0 EEABRN CN(CCn1cccn1)C(=O)c1ccccc1CSc1nc[nH]n1 ZINC000096414442 463247048 /nfs/dbraw/zinc/24/70/48/463247048.db2.gz IURFSELOSMGETD-UHFFFAOYSA-N 0 0 342.428 2.066 40 0 EEABRN COc1ccc(CNC(=O)CNC(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000096425076 463254584 /nfs/dbraw/zinc/25/45/84/463254584.db2.gz DLECIJCCFDHMQY-CYBMUJFWSA-N 0 0 344.386 2.370 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)COc1ccc(F)cc1F ZINC000096425502 463255027 /nfs/dbraw/zinc/25/50/27/463255027.db2.gz PPHOLJLWIBZBAF-SNVBAGLBSA-N 0 0 337.370 2.441 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000096426085 463255218 /nfs/dbraw/zinc/25/52/18/463255218.db2.gz GUJYPMSXXQTSRR-UHFFFAOYSA-N 0 0 344.330 2.322 40 0 EEABRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3nccnc3N)[C@@H](C)CO2)c1 ZINC000096426740 463255608 /nfs/dbraw/zinc/25/56/08/463255608.db2.gz UCRCWHDOGMDQLL-ZFWWWQNUSA-N 0 0 326.400 2.278 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000096426117 463255709 /nfs/dbraw/zinc/25/57/09/463255709.db2.gz SPGHBCIGBARZEJ-NRFANRHFSA-N 0 0 344.502 2.486 40 0 EEABRN COC[C@@H](O)CN(C)c1ccnc2cc(Br)ccc21 ZINC000096429214 463259031 /nfs/dbraw/zinc/25/90/31/463259031.db2.gz DIQSEYDGVGJGQX-NSHDSACASA-N 0 0 325.206 2.441 40 0 EEABRN Cc1nsc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1 ZINC000096429241 463259165 /nfs/dbraw/zinc/25/91/65/463259165.db2.gz BENQZARHEWFTRU-UHFFFAOYSA-N 0 0 340.474 2.286 40 0 EEABRN NC(=O)COc1cccc(CNC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000096431566 463260884 /nfs/dbraw/zinc/26/08/84/463260884.db2.gz PPUPGPWIOOZECF-SFHVURJKSA-N 0 0 338.407 2.287 40 0 EEABRN CN(C)S(=O)(=O)c1ccccc1-c1nc(-c2cnn(C)c2)cs1 ZINC000096433560 463262265 /nfs/dbraw/zinc/26/22/65/463262265.db2.gz AQOLZVXGJMIANO-UHFFFAOYSA-N 0 0 348.453 2.461 40 0 EEABRN CC[C@H](NC(=O)Nc1ccn(CCOC)n1)c1c(C)nn(C)c1C ZINC000096434483 463262599 /nfs/dbraw/zinc/26/25/99/463262599.db2.gz YMDWNOJZNNOXAS-ZDUSSCGKSA-N 0 0 334.424 2.153 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000096435437 463263097 /nfs/dbraw/zinc/26/30/97/463263097.db2.gz NJBUWIVWXXWNEL-QMMMGPOBSA-N 0 0 342.172 2.390 40 0 EEABRN O=C(Nc1c(O)cccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096436567 463265186 /nfs/dbraw/zinc/26/51/86/463265186.db2.gz SIIQPAPIQUJDLN-MRXNPFEDSA-N 0 0 330.359 2.371 40 0 EEABRN CO[C@@]1(C)C[C@@H](NC(=O)CCn2c(C)c(C)sc2=O)C1(C)C ZINC000096443838 463269321 /nfs/dbraw/zinc/26/93/21/463269321.db2.gz LSVFGHGFHCIRDV-WBMJQRKESA-N 0 0 326.462 2.237 40 0 EEABRN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC(=O)N(C)c2ccccc21 ZINC000096450780 463272072 /nfs/dbraw/zinc/27/20/72/463272072.db2.gz ZLITWSVXGREFGP-UHFFFAOYSA-N 0 0 348.353 2.447 40 0 EEABRN COCCn1cnnc1[S@@](=O)Cc1cc(C)nc2ccccc12 ZINC000096452441 463272979 /nfs/dbraw/zinc/27/29/79/463272979.db2.gz MFYAAJSSOYCGQS-HSZRJFAPSA-N 0 0 330.413 2.089 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)ncc1Br ZINC000096456273 463275571 /nfs/dbraw/zinc/27/55/71/463275571.db2.gz DHTBBHUUEMBHQF-SECBINFHSA-N 0 0 349.250 2.303 40 0 EEABRN Cc1cc(N2CCC(NC(=O)c3ccc[nH]c3=S)CC2)nc(C)n1 ZINC000096454893 463275791 /nfs/dbraw/zinc/27/57/91/463275791.db2.gz VFIRUYIVWDKTQD-UHFFFAOYSA-N 0 0 343.456 2.176 40 0 EEABRN O=C(NCc1nnc2ccccn21)N1CCO[C@@H](c2cccs2)C1 ZINC000096473331 463279174 /nfs/dbraw/zinc/27/91/74/463279174.db2.gz ZXJWFNSDMJRRLZ-GFCCVEGCSA-N 0 0 343.412 2.074 40 0 EEABRN O=C(NCCNC(=O)c1ccc(Cl)cc1)NCCc1ccncc1 ZINC000096475527 463280152 /nfs/dbraw/zinc/28/01/52/463280152.db2.gz UVPVWMCORUHSCJ-UHFFFAOYSA-N 0 0 346.818 2.007 40 0 EEABRN Cc1c[nH]c(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 ZINC000096496678 463289417 /nfs/dbraw/zinc/28/94/17/463289417.db2.gz JYFUCMRRNWMXHF-QMMMGPOBSA-N 0 0 329.326 2.258 40 0 EEABRN COc1ccc(CC(=O)N2CCN(C(=O)C3=CCCCC3)CC2)cc1 ZINC000097103482 463325230 /nfs/dbraw/zinc/32/52/30/463325230.db2.gz RDKFXBGDVMGYRR-UHFFFAOYSA-N 0 0 342.439 2.409 40 0 EEABRN CCO[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000139908396 463333187 /nfs/dbraw/zinc/33/31/87/463333187.db2.gz PQRKFZRIKXBLBO-KRWDZBQOSA-N 0 0 342.395 2.342 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cnn(CC(C)C)c1 ZINC000097237640 463352828 /nfs/dbraw/zinc/35/28/28/463352828.db2.gz FHIUOWFFMSCWJP-MRXNPFEDSA-N 0 0 327.384 2.284 40 0 EEABRN CC(C)(C)c1noc(C2(NC(=O)CCn3cncn3)CCCCC2)n1 ZINC000097372718 463355505 /nfs/dbraw/zinc/35/55/05/463355505.db2.gz YOIQLSUQANPLFO-UHFFFAOYSA-N 0 0 346.435 2.325 40 0 EEABRN Cc1cc(NC(=O)CCn2ccnc2[C@@H](O)c2ccccc2)no1 ZINC000097375811 463357109 /nfs/dbraw/zinc/35/71/09/463357109.db2.gz DNBGHTCRGFHAHA-INIZCTEOSA-N 0 0 326.356 2.290 40 0 EEABRN O=CN1CCC(OC(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000097380193 463357513 /nfs/dbraw/zinc/35/75/13/463357513.db2.gz MHVOUMJWMLXNSZ-UHFFFAOYSA-N 0 0 335.310 2.133 40 0 EEABRN c1[nH]c2ccccc2c1CCNc1nc2nn[nH]c2c(N2CCCC2)n1 ZINC000070655800 463377451 /nfs/dbraw/zinc/37/74/51/463377451.db2.gz MKXOUGHLLIAOIP-UHFFFAOYSA-N 0 0 348.414 2.484 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3occc3C)C2=O)o1 ZINC000033475833 463421922 /nfs/dbraw/zinc/42/19/22/463421922.db2.gz GFOMFGHQFYVIRB-XFFZJAGNSA-N 0 0 330.296 2.061 40 0 EEABRN COc1cc(Cc2cnc(N)nc2N)cc(Br)c1OC ZINC000033494315 463422666 /nfs/dbraw/zinc/42/26/66/463422666.db2.gz XJSNBPJINGRLAM-UHFFFAOYSA-N 0 0 339.193 2.012 40 0 in-vitro EEABRN COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1 ZINC000033904814 463424990 /nfs/dbraw/zinc/42/49/90/463424990.db2.gz NYSQWKNHXLNNRU-UHFFFAOYSA-N 0 0 337.397 2.191 40 0 EEABRN O=c1c2cnc(N3CCOCC3)[nH]c-2cn1CCC1=CCCCC1 ZINC000040714327 463464485 /nfs/dbraw/zinc/46/44/85/463464485.db2.gz YDLWTLSZUWVEQX-UHFFFAOYSA-N 0 0 328.416 2.160 40 0 EEABRN CCc1noc(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 ZINC000041124105 463467811 /nfs/dbraw/zinc/46/78/11/463467811.db2.gz SLEYDAXIGCHKAT-HNNXBMFYSA-N 0 0 343.383 2.178 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F ZINC000057355071 463480668 /nfs/dbraw/zinc/48/06/68/463480668.db2.gz RRYIBSQQDUEECS-WMLDXEAASA-N 0 0 336.407 2.278 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c(C)o1 ZINC000081756670 463488583 /nfs/dbraw/zinc/48/85/83/463488583.db2.gz BUCNCNQUNVOURM-MGPLVRAMSA-N 0 0 348.424 2.159 40 0 EEABRN Cc1cccc(CC(=O)N2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC000081764405 463489814 /nfs/dbraw/zinc/48/98/14/463489814.db2.gz ISORJVWKIRMWRD-UHFFFAOYSA-N 0 0 330.819 2.330 40 0 EEABRN Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000108008365 463587354 /nfs/dbraw/zinc/58/73/54/463587354.db2.gz MWKPYVFEPUMVFG-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000108043763 463588222 /nfs/dbraw/zinc/58/82/22/463588222.db2.gz YHQXIONQMJRWTM-KGLIPLIRSA-N 0 0 326.462 2.373 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@H]2CCN(Cc3ccncc3)C[C@@H]21 ZINC000108529171 463609697 /nfs/dbraw/zinc/60/96/97/463609697.db2.gz UDYTVSBENXCYRB-IRXDYDNUSA-N 0 0 343.452 2.259 40 0 EEABRN O=C(CC1CCCC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108535860 463611429 /nfs/dbraw/zinc/61/14/29/463611429.db2.gz UOSRTJPUAWRIEP-OALUTQOASA-N 0 0 343.471 2.464 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@@H]2CCCC[C@H]21 ZINC000084591012 463614331 /nfs/dbraw/zinc/61/43/31/463614331.db2.gz GCKDYWPAGIVIBC-GXTWGEPZSA-N 0 0 340.445 2.243 40 0 EEABRN C[C@@H](C(=O)N(C)C1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044849670 463695803 /nfs/dbraw/zinc/69/58/03/463695803.db2.gz XMBXTJYJCCAJOK-LBPRGKRZSA-N 0 0 342.436 2.381 40 0 EEABRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000044873662 463697592 /nfs/dbraw/zinc/69/75/92/463697592.db2.gz GXAKUOGCPFALFM-AWEZNQCLSA-N 0 0 347.392 2.066 40 0 EEABRN Cc1cccc(CN2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)n1 ZINC000257281440 463760227 /nfs/dbraw/zinc/76/02/27/463760227.db2.gz OPEPFLCGQVAXRC-AWEZNQCLSA-N 0 0 334.445 2.244 40 0 EEABRN Cc1ocnc1C(=O)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257282992 463761453 /nfs/dbraw/zinc/76/14/53/463761453.db2.gz OWERSQZTFXXCOR-LBPRGKRZSA-N 0 0 327.344 2.099 40 0 EEABRN CC(=O)N1CCC(Cc2nccnc2-c2c(C)nn(C)c2C)CC1 ZINC000257283958 463761537 /nfs/dbraw/zinc/76/15/37/463761537.db2.gz PAQFMFCLRVPGRS-UHFFFAOYSA-N 0 0 327.432 2.295 40 0 EEABRN CCCn1nccc1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257289657 463765062 /nfs/dbraw/zinc/76/50/62/463765062.db2.gz PZQNOZQTOAMWBI-UHFFFAOYSA-N 0 0 348.472 2.494 40 0 EEABRN NC(=O)C[C@H]1CN(C(=O)CC2CC2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257292809 463766077 /nfs/dbraw/zinc/76/60/77/463766077.db2.gz QNAMEKXVDLPSNM-BBRMVZONSA-N 0 0 334.391 2.097 40 0 EEABRN C[C@]1(O)CN(C(=O)CC2CCOCC2)CC[C@@H]1Oc1ccccc1 ZINC000257302459 463768321 /nfs/dbraw/zinc/76/83/21/463768321.db2.gz SCZPSLYNKPBIIB-HKUYNNGSSA-N 0 0 333.428 2.234 40 0 EEABRN Cc1csc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)c1 ZINC000257300438 463768644 /nfs/dbraw/zinc/76/86/44/463768644.db2.gz RUGLMQGTXYGJLX-QGZVFWFLSA-N 0 0 331.441 2.165 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CCCc3ccncc3)CCO2)nc(C)n1 ZINC000257312535 463773257 /nfs/dbraw/zinc/77/32/57/463773257.db2.gz UOKIXAYVDAKNHZ-SFHVURJKSA-N 0 0 340.427 2.411 40 0 EEABRN CC(C)N1C(=O)CO[C@H]2CCN(C(=O)CCc3ccccc3)CC[C@@H]21 ZINC000257320600 463775920 /nfs/dbraw/zinc/77/59/20/463775920.db2.gz VXNLKAYHDPWXKS-ROUUACIJSA-N 0 0 344.455 2.246 40 0 EEABRN Cc1nnc([C@H]2CN(c3ncc(C)cc3Br)CCO2)[nH]1 ZINC000194322467 463835586 /nfs/dbraw/zinc/83/55/86/463835586.db2.gz NSGFWPGSBKGWGI-LLVKDONJSA-N 0 0 338.209 2.157 40 0 EEABRN Cc1cnc([C@H](C)NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000195016498 463976227 /nfs/dbraw/zinc/97/62/27/463976227.db2.gz UODWXXQDZYKGSA-SCRDCRAPSA-N 0 0 340.493 2.263 40 0 EEABRN C[C@H]1C[C@H]1N1C[C@@H](NC(=O)c2sccc2Br)CC1=O ZINC000195531129 464071821 /nfs/dbraw/zinc/07/18/21/464071821.db2.gz FLMLOHAQWZDIQP-OYNCUSHFSA-N 0 0 343.246 2.250 40 0 EEABRN CN(C(=O)C(=O)Nc1ccnn1C)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000195574284 464079783 /nfs/dbraw/zinc/07/97/83/464079783.db2.gz HQPLJJDGXKXIIT-JKSUJKDBSA-N 0 0 340.427 2.228 40 0 EEABRN CC(C)c1noc(CCNC(=O)N2CCC([C@H]3CCCO3)CC2)n1 ZINC000195573787 464080251 /nfs/dbraw/zinc/08/02/51/464080251.db2.gz HWHGOWFYIJIFOM-CQSZACIVSA-N 0 0 336.436 2.336 40 0 EEABRN CS(=O)(=O)[C@H](Cc1ccccc1)c1nc(-c2ccncc2)no1 ZINC000195576338 464080281 /nfs/dbraw/zinc/08/02/81/464080281.db2.gz YSOTZLGBVYGKRS-CQSZACIVSA-N 0 0 329.381 2.460 40 0 EEABRN CCS(=O)(=O)c1ccc(CNC(=O)Cc2ccsc2)s1 ZINC000279499390 464113925 /nfs/dbraw/zinc/11/39/25/464113925.db2.gz SVZQVWAXZCPXPZ-UHFFFAOYSA-N 0 0 329.468 2.462 40 0 EEABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(N)(=O)=O ZINC000223036858 464135907 /nfs/dbraw/zinc/13/59/07/464135907.db2.gz HNNLNLGMZFCRJH-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222977527 464136538 /nfs/dbraw/zinc/13/65/38/464136538.db2.gz LWKKIGKORCXKFD-PBHICJAKSA-N 0 0 348.443 2.118 40 0 EEABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000223302457 464140738 /nfs/dbraw/zinc/14/07/38/464140738.db2.gz DZDQZBGIPQWRST-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN Cc1c(F)cccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224266358 464149283 /nfs/dbraw/zinc/14/92/83/464149283.db2.gz UXKOCTFHCITJTJ-UHFFFAOYSA-N 0 0 344.394 2.320 40 0 EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccccc1F ZINC000224299707 464149922 /nfs/dbraw/zinc/14/99/22/464149922.db2.gz UJPCRXGZSLTNJZ-UHFFFAOYSA-N 0 0 330.363 2.321 40 0 EEABRN COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224847138 464152519 /nfs/dbraw/zinc/15/25/19/464152519.db2.gz KISNJDXQGJUXFD-UHFFFAOYSA-N 0 0 349.408 2.372 40 0 EEABRN COc1ccccc1O[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225270326 464155567 /nfs/dbraw/zinc/15/55/67/464155567.db2.gz LBMIWGRSLBRLGV-ZIAGYGMSSA-N 0 0 343.379 2.419 40 0 EEABRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)cn1 ZINC000225520639 464168369 /nfs/dbraw/zinc/16/83/69/464168369.db2.gz WQWDEGRCNYYUIQ-OAHLLOKOSA-N 0 0 341.459 2.381 40 0 EEABRN CCOC(=O)c1cnc(-c2cccc(N)c2)nc1NC[C@H]1CCCO1 ZINC000226104062 464183339 /nfs/dbraw/zinc/18/33/39/464183339.db2.gz YJPFUVAZBAOXEE-CQSZACIVSA-N 0 0 342.399 2.493 40 0 EEABRN Cc1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)nc(N(C)C)n1 ZINC000227169453 464187877 /nfs/dbraw/zinc/18/78/77/464187877.db2.gz BLOJAFRZYSOZFM-UHFFFAOYSA-N 0 0 339.399 2.378 40 0 EEABRN O=C(CSC[C@H]1CCCCO1)NCc1ccc2c(c1)OCCO2 ZINC000263887874 464229378 /nfs/dbraw/zinc/22/93/78/464229378.db2.gz MGJVDEZZHPPEID-CQSZACIVSA-N 0 0 337.441 2.376 40 0 EEABRN O=S(=O)(CCC1CCOCC1)N1CCO[C@H](c2cccs2)C1 ZINC000292510092 464258104 /nfs/dbraw/zinc/25/81/04/464258104.db2.gz TYYANEJALQJKLS-AWEZNQCLSA-N 0 0 345.486 2.268 40 0 EEABRN C[C@@H](C(=O)N1CCOC[C@H]1c1cccn1C)N1CCc2ccccc21 ZINC000188377353 464266477 /nfs/dbraw/zinc/26/64/77/464266477.db2.gz MXUNIFIZUAGFHK-KXBFYZLASA-N 0 0 339.439 2.376 40 0 EEABRN COc1ccc2nnc(CNC(=O)/C=C/c3ccccc3Cl)n2n1 ZINC000240067932 464445458 /nfs/dbraw/zinc/44/54/58/464445458.db2.gz SEAPWAUHKZJTAO-UHFFFAOYSA-N 0 0 343.774 2.116 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@@H](O)c1ccccc1 ZINC000245093448 464466523 /nfs/dbraw/zinc/46/65/23/464466523.db2.gz RNUFRWVWQZMYKP-JYJNAYRXSA-N 0 0 345.374 2.156 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000245358609 464470605 /nfs/dbraw/zinc/47/06/05/464470605.db2.gz ZSZZLKGGTYAELQ-SSPGASRDSA-N 0 0 330.494 2.133 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccco1)c1ccco1 ZINC000247490638 464684583 /nfs/dbraw/zinc/68/45/83/464684583.db2.gz MISXUPRCZWPXAB-LXZKKBNFSA-N 0 0 330.384 2.282 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccnc1)c1ccco1 ZINC000247505949 464687352 /nfs/dbraw/zinc/68/73/52/464687352.db2.gz RNANTIGPSUUVHE-BQFCYCMXSA-N 0 0 341.411 2.084 40 0 EEABRN O=C(c1cccs1)N1CC2(C1)CC[C@@H](CNc1ncccn1)CO2 ZINC000247792662 464706613 /nfs/dbraw/zinc/70/66/13/464706613.db2.gz ATQJJEZCNGUNBB-ZDUSSCGKSA-N 0 0 344.440 2.271 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1ccncc1 ZINC000247827310 464709056 /nfs/dbraw/zinc/70/90/56/464709056.db2.gz GHHYYYXEIFXSIU-JKSUJKDBSA-N 0 0 347.440 2.027 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000247893846 464714227 /nfs/dbraw/zinc/71/42/27/464714227.db2.gz ZKOGBUWGQPWKAJ-INIZCTEOSA-N 0 0 348.468 2.111 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000248107333 464729759 /nfs/dbraw/zinc/72/97/59/464729759.db2.gz GGVJOCLQGXHFCD-ZDUSSCGKSA-N 0 0 329.425 2.199 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@@H]1C ZINC000248990373 464827832 /nfs/dbraw/zinc/82/78/32/464827832.db2.gz YEEUJHCDBDQDRX-DUBCDFBXSA-N 0 0 342.439 2.413 40 0 EEABRN Cn1cc([C@H](O)C(=O)NCC(C)(C)c2ccc(F)cc2Cl)cn1 ZINC000252495522 464968422 /nfs/dbraw/zinc/96/84/22/464968422.db2.gz OSBICNAKOMHWIQ-AWEZNQCLSA-N 0 0 339.798 2.340 40 0 EEABRN COc1cc(C(=O)NC2=NO[C@@H](C)C2)cc(Br)c1OC ZINC000252503917 464972301 /nfs/dbraw/zinc/97/23/01/464972301.db2.gz VHFVSBWEIJTBQG-ZETCQYMHSA-N 0 0 343.177 2.318 40 0 EEABRN O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2ccc(F)cn2)C1 ZINC000252510716 464976454 /nfs/dbraw/zinc/97/64/54/464976454.db2.gz ZOYQSCICDPZEAN-AWEZNQCLSA-N 0 0 327.425 2.052 40 0 EEABRN COC(=O)c1cc(Cl)ccc1NC(=O)N1CCn2nc(C)nc2C1 ZINC000253395139 464999427 /nfs/dbraw/zinc/99/94/27/464999427.db2.gz UBKHKIXYIGDJDR-UHFFFAOYSA-N 0 0 349.778 2.074 40 0 EEABRN O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cscn1 ZINC000253398303 465001947 /nfs/dbraw/zinc/00/19/47/465001947.db2.gz HOPXUAOTTUCDFO-AWEZNQCLSA-N 0 0 325.393 2.476 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420864 465008507 /nfs/dbraw/zinc/00/85/07/465008507.db2.gz DNCBKYSIQCQTJZ-MCIONIFRSA-N 0 0 349.397 2.222 40 0 EEABRN O=C1[C@@H](Sc2nncn2-c2ccccc2)CCN1C1CCOCC1 ZINC000253427654 465011207 /nfs/dbraw/zinc/01/12/07/465011207.db2.gz DCRUSIZEBGRXNT-HNNXBMFYSA-N 0 0 344.440 2.139 40 0 EEABRN COc1nccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC000253429790 465013278 /nfs/dbraw/zinc/01/32/78/465013278.db2.gz UPQOIOVXWQQLNA-GXTWGEPZSA-N 0 0 328.372 2.479 40 0 EEABRN CCn1nc(C)c(CC(=O)Nc2n[nH]cc2Br)c1C ZINC000298298532 465358018 /nfs/dbraw/zinc/35/80/18/465358018.db2.gz IRBYBNFBFFTJKC-UHFFFAOYSA-N 0 0 326.198 2.187 40 0 EEABRN CCOc1cccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000363453844 466415668 /nfs/dbraw/zinc/41/56/68/466415668.db2.gz DNJWUAZVWJVWJC-LBPRGKRZSA-N 0 0 345.399 2.277 40 0 EEABRN COc1ccc(-c2cc3c(NC(=O)CC(C)C)nn(C)c3nn2)cn1 ZINC000306123408 466486914 /nfs/dbraw/zinc/48/69/14/466486914.db2.gz AMEHYVPTWQOVLO-UHFFFAOYSA-N 0 0 340.387 2.419 40 0 EEABRN Cc1ccc(C(=O)N2CCn3c(ncc3-c3cnn(C)c3)C2)s1 ZINC000306132298 466490858 /nfs/dbraw/zinc/49/08/58/466490858.db2.gz LEJVLRBQNFDWIA-UHFFFAOYSA-N 0 0 327.413 2.310 40 0 EEABRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1ccccc1 ZINC000408529301 466679954 /nfs/dbraw/zinc/67/99/54/466679954.db2.gz JCOPWUVGVSBERY-UHFFFAOYSA-N 0 0 338.367 2.357 40 0 EEABRN O=C(NCc1ccc(Br)cc1)C(=O)Nc1ccccn1 ZINC000408718417 466681719 /nfs/dbraw/zinc/68/17/19/466681719.db2.gz NGSLQGBVBBHVLL-UHFFFAOYSA-N 0 0 334.173 2.099 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)NCCc3ccccc3)C2)n1 ZINC000390828296 467412224 /nfs/dbraw/zinc/41/22/24/467412224.db2.gz PXMHKMPINUPWEI-QGZVFWFLSA-N 0 0 340.427 2.499 40 0 EEABRN CSCc1cc(F)ccc1CNC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000390835574 467414836 /nfs/dbraw/zinc/41/48/36/467414836.db2.gz QZFFUJXAYJREMI-YGRLFVJLSA-N 0 0 339.436 2.013 40 0 EEABRN O=S1(=O)CC[C@@H](N(CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419513 468144011 /nfs/dbraw/zinc/14/40/11/468144011.db2.gz AHGXAWXNMGNHEO-GOSISDBHSA-N 0 0 345.464 2.257 40 0 EEABRN O=S(=O)(C1CCCCC1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575606114 468146159 /nfs/dbraw/zinc/14/61/59/468146159.db2.gz SFGXQHMJUGGIPH-CYBMUJFWSA-N 0 0 343.424 2.121 40 0 EEABRN O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O ZINC000585097587 468965952 /nfs/dbraw/zinc/96/59/52/468965952.db2.gz NAROGBUPTLYHMZ-MRXNPFEDSA-N 0 0 342.443 2.107 40 0 EEABRN Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC000585098409 468967160 /nfs/dbraw/zinc/96/71/60/468967160.db2.gz XQOZVRBKUUHHAR-CQSZACIVSA-N 0 0 325.368 2.345 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000585100880 468968409 /nfs/dbraw/zinc/96/84/09/468968409.db2.gz MYKATESBJALKDL-FLMHQWFMSA-N 0 0 334.391 2.359 40 0 EEABRN O=C(N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1)C1(F)CCC1 ZINC000585100959 468969128 /nfs/dbraw/zinc/96/91/28/468969128.db2.gz LKWNCAGKYHQUFJ-SFHVURJKSA-N 0 0 345.418 2.315 40 0 EEABRN Cc1cc(NC(=O)N(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)no1 ZINC000585140686 468989001 /nfs/dbraw/zinc/98/90/01/468989001.db2.gz IVDBYTCRMPEVLM-GASCZTMLSA-N 0 0 345.399 3.026 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccncc3)C2)c1 ZINC000585269152 468997755 /nfs/dbraw/zinc/99/77/55/468997755.db2.gz KPQFKKGXLXLMBC-IBGZPJMESA-N 0 0 328.412 2.032 40 0 EEABRN Cc1ccc(OC[C@@]2(O)COCCN(Cc3ccncc3)C2)cc1 ZINC000585269229 468997878 /nfs/dbraw/zinc/99/78/78/468997878.db2.gz MCZZVVXVTHEIOO-IBGZPJMESA-N 0 0 328.412 2.032 40 0 EEABRN O=C(CCCn1ccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585272795 468999080 /nfs/dbraw/zinc/99/90/80/468999080.db2.gz QWMDZHVIFSQQBX-ROUUACIJSA-N 0 0 327.428 2.258 40 0 EEABRN O=C(COc1cccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585272796 468999336 /nfs/dbraw/zinc/99/93/36/468999336.db2.gz QWQQOIJUDSVYNX-ROUUACIJSA-N 0 0 326.396 2.055 40 0 EEABRN CCCn1cc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277560 469002323 /nfs/dbraw/zinc/00/23/23/469002323.db2.gz NCAANTSEFQGHES-IBGZPJMESA-N 0 0 347.434 2.238 40 0 EEABRN CO[C@H]1CCCN(C(=O)Cn2ccnc2C)[C@H]1Cc1ccccc1 ZINC000585277859 469003769 /nfs/dbraw/zinc/00/37/69/469003769.db2.gz QGNCEYPLNYZLEI-ROUUACIJSA-N 0 0 327.428 2.440 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278497 469003823 /nfs/dbraw/zinc/00/38/23/469003823.db2.gz FPTXVXVQSKQZLW-QZTJIDSGSA-N 0 0 327.428 2.185 40 0 EEABRN COc1cc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)ccn1 ZINC000585279826 469005906 /nfs/dbraw/zinc/00/59/06/469005906.db2.gz QAGWZKKXAGPCQC-RHSMWYFYSA-N 0 0 344.386 2.295 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)cc1 ZINC000585287697 469009952 /nfs/dbraw/zinc/00/99/52/469009952.db2.gz BCANLIBKLHSTCF-HNAYVOBHSA-N 0 0 330.428 2.413 40 0 EEABRN Cn1nnc2c1ncnc2NCCc1ccccc1OC(F)(F)F ZINC000663709618 471486651 /nfs/dbraw/zinc/48/66/51/471486651.db2.gz PKEJBWSWGMIGFC-UHFFFAOYSA-N 0 0 338.293 2.312 40 0 EEABRN CS(=O)(=O)C1CN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000654469490 471970575 /nfs/dbraw/zinc/97/05/75/471970575.db2.gz ZAPLLPGNBUFXMT-UHFFFAOYSA-N 0 0 327.471 2.205 40 0 EEABRN Cc1cccc(CNC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000096473658 534714847 /nfs/dbraw/zinc/71/48/47/534714847.db2.gz WDGFECIKTLQROW-KRWDZBQOSA-N 0 0 344.459 2.370 40 0 EEABRN CCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709713 528489911 /nfs/dbraw/zinc/48/99/11/528489911.db2.gz WGYXVEBQOFVGMD-UHFFFAOYSA-N 0 0 343.383 2.064 40 0 EEABRN CCN(CCc1nccs1)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000132036328 528601064 /nfs/dbraw/zinc/60/10/64/528601064.db2.gz KLMGMAREJFWPFH-UHFFFAOYSA-N 0 0 337.489 2.429 40 0 EEABRN CCCOc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000132531793 528672014 /nfs/dbraw/zinc/67/20/14/528672014.db2.gz HUIMMXNOUJGIFO-SJORKVTESA-N 0 0 345.443 2.428 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)[C@@H]2CCO[C@H]21 ZINC000230096020 535058392 /nfs/dbraw/zinc/05/83/92/535058392.db2.gz OBJDPALTEJRCNP-GVDBMIGSSA-N 0 0 340.427 2.485 40 0 EEABRN CCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1Cl ZINC000257301952 535433565 /nfs/dbraw/zinc/43/35/65/535433565.db2.gz SASXJYLLIMTNES-CJNGLKHVSA-N 0 0 336.819 2.108 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)c(C)n1 ZINC000257214767 536026406 /nfs/dbraw/zinc/02/64/06/536026406.db2.gz CNJIPOFPTAKWAL-CQSZACIVSA-N 0 0 342.447 2.069 40 0 EEABRN CCn1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000044873878 536028301 /nfs/dbraw/zinc/02/83/01/536028301.db2.gz DCNVGVMQNZFXCG-UHFFFAOYSA-N 0 0 335.411 2.414 40 0 EEABRN COc1cccc(S(=O)(=O)N[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000257202039 537136221 /nfs/dbraw/zinc/13/62/21/537136221.db2.gz AKFFXIUWBGKXAA-AWEZNQCLSA-N 0 0 347.440 2.038 40 0 EEABRN COc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000252540559 537155434 /nfs/dbraw/zinc/15/54/34/537155434.db2.gz PMPVVSWCHIERKG-JOCQHMNTSA-N 0 0 346.362 2.139 40 0 EEABRN Cc1ccnc([C@H](C)NS(=O)(=O)c2occc2Br)n1 ZINC000903645333 1241359923 /nfs/dbraw/zinc/35/99/23/1241359923.db2.gz QAUBWWPYOUCXSK-QMMMGPOBSA-N 0 0 346.206 2.180 40 0 EEABRN Cc1ccnc([C@@H](C)NS(=O)(=O)c2occc2Br)n1 ZINC000903645331 1241361767 /nfs/dbraw/zinc/36/17/67/1241361767.db2.gz QAUBWWPYOUCXSK-MRVPVSSYSA-N 0 0 346.206 2.180 40 0 EEABRN CCOC(=O)c1ccc(NC(=S)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000015080509 1352325350 /nfs/dbraw/zinc/32/53/50/1352325350.db2.gz CKYAWWHNHAEREQ-OAHLLOKOSA-N 0 0 349.456 2.161 40 0 EEABRN c1ccc(-c2nnc3nc(N4CCCC4)nc(N4CCCC4)n32)cc1 ZINC000001657307 1369631262 /nfs/dbraw/zinc/63/12/62/1369631262.db2.gz FNVKWRTZTYPTOJ-UHFFFAOYSA-N 0 0 335.415 2.387 40 0 EEABRN CCN([C@@H]1CCCOC1)S(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000907265718 784506691 /nfs/dbraw/zinc/50/66/91/784506691.db2.gz KJHUTINQNAJSFN-CQSZACIVSA-N 0 0 341.477 2.267 40 0 EEABRN CC[C@]1(C)CN(C(=O)NCc2cn(C)nc2C(F)(F)F)CCO1 ZINC000188223002 529404679 /nfs/dbraw/zinc/40/46/79/529404679.db2.gz AKGKPOCBIQLBNV-CYBMUJFWSA-N 0 0 334.342 2.149 40 0 EEABRN COc1cc(C)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 ZINC000226013258 536703426 /nfs/dbraw/zinc/70/34/26/536703426.db2.gz HYMATUPZTCDHHA-UHFFFAOYSA-N 0 0 332.385 2.009 40 0 EEABRN Cc1ccc(CNC(=O)C2CCOCC2)c(OC[C@@H]2CCOC2)c1 ZINC000087459986 539367293 /nfs/dbraw/zinc/36/72/93/539367293.db2.gz FZFXSCKXWMLXMF-OAHLLOKOSA-N 0 0 333.428 2.453 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000010150734 201795272 /nfs/dbraw/zinc/79/52/72/201795272.db2.gz PLVRVWGRPZWZOJ-IRXDYDNUSA-N 0 0 328.412 2.375 40 0 EEABRN COc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012114451 201825856 /nfs/dbraw/zinc/82/58/56/201825856.db2.gz OPFUGHLPEYBANF-FSWDVZBNSA-N 0 0 341.411 2.084 40 0 EEABRN O=C(CC1CCCC1)NC1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000066975496 215100055 /nfs/dbraw/zinc/10/00/55/215100055.db2.gz RDFRNJPNTYDMJP-INIZCTEOSA-N 0 0 337.464 2.036 40 0 EEABRN Cc1nc(SCCNC(=O)COc2ccc(Cl)cc2)n[nH]1 ZINC000222970582 539658139 /nfs/dbraw/zinc/65/81/39/539658139.db2.gz ZASVVMYNNGRQBJ-UHFFFAOYSA-N 0 0 326.809 2.054 40 0 EEABRN Cc1nscc1C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000182335507 234558967 /nfs/dbraw/zinc/55/89/67/234558967.db2.gz DCJSQZJPPPDJOW-SECBINFHSA-N 0 0 337.351 2.265 40 0 EEABRN c1cnc2cc(-c3ccncc3)nc(NCCN3CCOCC3)c2c1 ZINC000019345355 202005013 /nfs/dbraw/zinc/00/50/13/202005013.db2.gz CZBXGITUQNHBOY-UHFFFAOYSA-N 0 0 335.411 2.436 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)[nH]c(=O)c1C ZINC000019555489 202011362 /nfs/dbraw/zinc/01/13/62/202011362.db2.gz KZIBFAPWRKRNRJ-OAHLLOKOSA-N 0 0 329.375 2.432 40 0 EEABRN COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCCOC3)[nH]n2)c1 ZINC000019552695 202011476 /nfs/dbraw/zinc/01/14/76/202011476.db2.gz BTLNJUDBWCQJBX-NSHDSACASA-N 0 0 331.372 2.003 40 0 EEABRN CC(C)c1ncc(CN2CCO[C@H](C(=O)N3CCCCCC3)C2)cn1 ZINC000019747206 202017897 /nfs/dbraw/zinc/01/78/97/202017897.db2.gz ONZYSBFRSDIJPG-KRWDZBQOSA-N 0 0 346.475 2.203 40 0 EEABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCOCC1 ZINC000020040218 202030446 /nfs/dbraw/zinc/03/04/46/202030446.db2.gz RDYFZWGJWZCZCQ-OAHLLOKOSA-N 0 0 340.851 2.336 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000020106400 202032022 /nfs/dbraw/zinc/03/20/22/202032022.db2.gz XFHNOYHBFDWQOH-UHFFFAOYSA-N 0 0 325.777 2.359 40 0 EEABRN COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)cc1 ZINC000067898803 202048934 /nfs/dbraw/zinc/04/89/34/202048934.db2.gz XBKVEWLDTAADJH-INIZCTEOSA-N 0 0 339.399 2.382 40 0 biogenic,in-vitro EEABRN COc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028283962 202169406 /nfs/dbraw/zinc/16/94/06/202169406.db2.gz HCJFDWLHTHXKCN-STQMWFEESA-N 0 0 348.424 2.432 40 0 EEABRN CNC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000152446926 283305506 /nfs/dbraw/zinc/30/55/06/283305506.db2.gz OENKMHYEYGOPFD-IAQYHMDHSA-N 0 0 341.249 2.347 40 0 EEABRN O=C(NCc1ccc(Cl)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000187656204 236270061 /nfs/dbraw/zinc/27/00/61/236270061.db2.gz YGSXBKNYOFIPHE-AWEZNQCLSA-N 0 0 341.814 2.095 40 0 EEABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(C)c1 ZINC000071980375 283321855 /nfs/dbraw/zinc/32/18/55/283321855.db2.gz PFICZHPYWBJAIB-INIZCTEOSA-N 0 0 346.427 2.123 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)c1cccs1 ZINC000096473448 237062075 /nfs/dbraw/zinc/06/20/75/237062075.db2.gz AKEQIOTYWJYWHN-VXGBXAGGSA-N 0 0 349.460 2.424 40 0 EEABRN O=C(NC1CC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000071116912 202340472 /nfs/dbraw/zinc/34/04/72/202340472.db2.gz FLOUTBBLWSDZOV-UHFFFAOYSA-N 0 0 337.372 2.426 40 0 EEABRN CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2nncs2)c1 ZINC000072665414 202364726 /nfs/dbraw/zinc/36/47/26/202364726.db2.gz LQZFEMYGPPRWGF-CQSZACIVSA-N 0 0 331.445 2.380 40 0 EEABRN COc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000072237912 202357010 /nfs/dbraw/zinc/35/70/10/202357010.db2.gz VGFYNYFMRUCJJJ-ZWKOTPCHSA-N 0 0 340.379 2.232 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000072240443 202357924 /nfs/dbraw/zinc/35/79/24/202357924.db2.gz VGWCOLPLBHREOF-UHFFFAOYSA-N 0 0 330.407 2.447 40 0 EEABRN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCc2cnccc21 ZINC000074954279 202374787 /nfs/dbraw/zinc/37/47/87/202374787.db2.gz NNJWBLCJZFPYQG-GOSISDBHSA-N 0 0 337.423 2.262 40 0 EEABRN Nc1c(Cl)cc(S(=O)(=O)N2CCSCC2)cc1Cl ZINC000078051847 202394893 /nfs/dbraw/zinc/39/48/93/202394893.db2.gz KDKKFDDPIFHKIC-UHFFFAOYSA-N 0 0 327.258 2.313 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)no1 ZINC000078603857 202397606 /nfs/dbraw/zinc/39/76/06/202397606.db2.gz QXJTYYCRWCYPSB-UHFFFAOYSA-N 0 0 340.383 2.391 40 0 EEABRN C[C@H](C(=O)NC(C)(C)C)[S@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000078554019 202397858 /nfs/dbraw/zinc/39/78/58/202397858.db2.gz CBQTUIZSOIHRHJ-ZLOXQWCVSA-N 0 0 333.457 2.424 40 0 EEABRN COc1ccc(-c2noc(CS[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000078774172 202399549 /nfs/dbraw/zinc/39/95/49/202399549.db2.gz FSISZEMJHUHBMF-GFCCVEGCSA-N 0 0 340.426 2.166 40 0 EEABRN CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076500831 202389402 /nfs/dbraw/zinc/38/94/02/202389402.db2.gz COARMXOOMFSNSL-NEPJUHHUSA-N 0 0 330.837 2.163 40 0 EEABRN CCCCCS(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000076729668 202389510 /nfs/dbraw/zinc/38/95/10/202389510.db2.gz XPFXHHGVVUHGEO-UHFFFAOYSA-N 0 0 331.507 2.089 40 0 EEABRN Cc1nn(C)c2ncc(NC(=O)NC[C@](C)(O)c3ccsc3)cc12 ZINC000077679444 202393306 /nfs/dbraw/zinc/39/33/06/202393306.db2.gz KHFLMSDRCOFLAR-INIZCTEOSA-N 0 0 345.428 2.367 40 0 EEABRN CC(C)(CNC(=O)CCCc1cccs1)N1CCS(=O)CC1 ZINC000079310548 202432102 /nfs/dbraw/zinc/43/21/02/202432102.db2.gz GRERKLPCGHQIMW-UHFFFAOYSA-N 0 0 342.530 2.030 40 0 EEABRN O=S(=O)(c1ccc2c(c1)OCO2)N1CCC[C@H](C(F)(F)F)C1 ZINC000182569191 201035022 /nfs/dbraw/zinc/03/50/22/201035022.db2.gz RVOJQEIQJNFPRH-VIFPVBQESA-N 0 0 337.319 2.378 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000188919429 201045040 /nfs/dbraw/zinc/04/50/40/201045040.db2.gz XOTWSNRFTPCAAQ-ROUUACIJSA-N 0 0 346.471 2.434 40 0 EEABRN CCOC(=O)c1cc(N2C[C@H](C(=O)OCC)CC2=O)ccc1Cl ZINC000045953287 201104566 /nfs/dbraw/zinc/10/45/66/201104566.db2.gz MOWYXDWFZPXMLL-SNVBAGLBSA-N 0 0 339.775 2.433 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)s1 ZINC000245312466 201152898 /nfs/dbraw/zinc/15/28/98/201152898.db2.gz JKEAWNWNRZMGEU-UHTWSYAYSA-N 0 0 344.502 2.205 40 0 EEABRN COc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4OCCO[C@H]4C3)[nH]c2c1 ZINC000253397893 201186279 /nfs/dbraw/zinc/18/62/79/201186279.db2.gz GEQCVJXJNHOMRJ-JLZZUVOBSA-N 0 0 330.384 2.243 40 0 EEABRN CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000253398240 201186484 /nfs/dbraw/zinc/18/64/84/201186484.db2.gz GTABZUAWULXXNB-INIZCTEOSA-N 0 0 349.862 2.107 40 0 biogenic,in-vitro EEABRN CCOC(=O)[C@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000248318650 201178109 /nfs/dbraw/zinc/17/81/09/201178109.db2.gz OWWFKBNZGQLWAW-AWEZNQCLSA-N 0 0 329.400 2.228 40 0 EEABRN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000281092185 201325615 /nfs/dbraw/zinc/32/56/15/201325615.db2.gz WAMAFCNZODZRDF-JTQLQIEISA-N 0 0 346.474 2.377 40 0 EEABRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCCC1=O ZINC000278959880 201313115 /nfs/dbraw/zinc/31/31/15/201313115.db2.gz PDDOGRKRHSWOME-HNNXBMFYSA-N 0 0 338.835 2.498 40 0 EEABRN O=C(c1cn[nH]n1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000132239049 223312756 /nfs/dbraw/zinc/31/27/56/223312756.db2.gz BIYXYHONESIVIE-SSDOTTSWSA-N 0 0 331.323 2.300 40 0 EEABRN CC(C)c1nnnn1CC(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193870772 240341105 /nfs/dbraw/zinc/34/11/05/240341105.db2.gz QXPUNUSBMRPHFB-UHFFFAOYSA-N 0 0 327.310 2.234 40 0 EEABRN O=C(NCc1c(F)cccc1OC(F)F)NC[C@@H]1CC[C@@H](O)C1 ZINC000195578368 241024411 /nfs/dbraw/zinc/02/44/11/241024411.db2.gz FDUJRSSOPSGFRY-NXEZZACHSA-N 0 0 332.322 2.387 40 0 EEABRN Cc1ccccc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O ZINC000223615608 241671954 /nfs/dbraw/zinc/67/19/54/241671954.db2.gz MPCJKJMXZNZNJQ-UHFFFAOYSA-N 0 0 336.457 2.378 40 0 EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000225492907 241897062 /nfs/dbraw/zinc/89/70/62/241897062.db2.gz HBCLIUUKFCAFRW-HNNXBMFYSA-N 0 0 327.384 2.098 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccccc1F ZINC000225881446 242069664 /nfs/dbraw/zinc/06/96/64/242069664.db2.gz DJMJOGIYFIRHAB-UHFFFAOYSA-N 0 0 343.405 2.239 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)c1 ZINC000225929214 242077411 /nfs/dbraw/zinc/07/74/11/242077411.db2.gz LRAHMWMGILUAFS-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN COCCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl ZINC000227152611 242122670 /nfs/dbraw/zinc/12/26/70/242122670.db2.gz VFFDXCYEQAJGMO-LBPRGKRZSA-N 0 0 337.807 2.446 40 0 EEABRN C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N(C)C ZINC000227159640 242123107 /nfs/dbraw/zinc/12/31/07/242123107.db2.gz RBDNBIIFYSFUJY-JTQLQIEISA-N 0 0 338.205 2.490 40 0 EEABRN Cn1ccc(NC(=O)C(C)(C)Oc2ccn(-c3ccccc3)n2)n1 ZINC000227159804 242123710 /nfs/dbraw/zinc/12/37/10/242123710.db2.gz ATCJGMPTNGWCRO-UHFFFAOYSA-N 0 0 325.372 2.402 40 0 EEABRN Cc1ccnc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021596201 212233917 /nfs/dbraw/zinc/23/39/17/212233917.db2.gz LJCMBCBXRYNUOH-UHFFFAOYSA-N 0 0 329.381 2.288 40 0 EEABRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000230120412 242233590 /nfs/dbraw/zinc/23/35/90/242233590.db2.gz ALHQRILXPNGZGG-HBNTYKKESA-N 0 0 338.395 2.188 40 0 EEABRN COc1ccc(OC)c(NCCN2C(=O)c3ccccc3C2=O)c1 ZINC000001753237 201519323 /nfs/dbraw/zinc/51/93/23/201519323.db2.gz BQOSPOQXGCOFSP-UHFFFAOYSA-N 0 0 326.352 2.412 40 0 EEABRN O=C(NCCNC(=O)c1nc(C2CCCCC2)no1)c1cccs1 ZINC000021452460 212224766 /nfs/dbraw/zinc/22/47/66/212224766.db2.gz MEOBASNJWSSBLL-UHFFFAOYSA-N 0 0 348.428 2.339 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)ccc1F ZINC000241795495 243004055 /nfs/dbraw/zinc/00/40/55/243004055.db2.gz RZQJVADIWZIOMQ-OLZOCXBDSA-N 0 0 349.406 2.418 40 0 EEABRN CC(=O)c1ccc(OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000006653058 201689363 /nfs/dbraw/zinc/68/93/63/201689363.db2.gz AMPTZNVTVHGMHQ-UHFFFAOYSA-N 0 0 325.320 2.482 40 0 EEABRN Cc1nc(C)c(C(=O)NCCc2csc(-n3cccn3)n2)s1 ZINC000090703518 203005109 /nfs/dbraw/zinc/00/51/09/203005109.db2.gz OYEUSHPHDHMACC-UHFFFAOYSA-N 0 0 333.442 2.375 40 0 EEABRN C[C@@H](CNC(=O)N1CCOC[C@@H]1C[C@H](C)O)c1ccc(F)cc1F ZINC000248762240 243616658 /nfs/dbraw/zinc/61/66/58/243616658.db2.gz WGDJKKTVBYSPDD-OBJOEFQTSA-N 0 0 342.386 2.250 40 0 EEABRN O=C(NCCCN1C(=O)CCC1=O)NCC1CC(c2ccccc2)C1 ZINC000252478208 243761183 /nfs/dbraw/zinc/76/11/83/243761183.db2.gz AFLPHJLVSOQNKE-UHFFFAOYSA-N 0 0 343.427 2.019 40 0 EEABRN CCCc1[nH][nH]c(=O)c1[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000019690969 284099892 /nfs/dbraw/zinc/09/98/92/284099892.db2.gz FNZWLBMEHLMPNB-HNNXBMFYSA-N 0 0 345.399 2.382 40 0 EEABRN O=C(NC1CN(C(=O)Nc2cc(Cl)cc3c2OCC3)C1)C1CC1 ZINC000253420857 243958104 /nfs/dbraw/zinc/95/81/04/243958104.db2.gz DFWDZIIGOYBLMM-UHFFFAOYSA-N 0 0 335.791 2.017 40 0 EEABRN Cc1ccc(Cc2nc(C(=O)OC[C@@H]3CCC(=O)N3)cs2)cc1 ZINC000092851112 203086028 /nfs/dbraw/zinc/08/60/28/203086028.db2.gz RQEIWIIEHHFFTN-ZDUSSCGKSA-N 0 0 330.409 2.478 40 0 EEABRN CC(C)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257205085 244129740 /nfs/dbraw/zinc/12/97/40/244129740.db2.gz AXONEUMRTVBVGL-UHFFFAOYSA-N 0 0 326.404 2.372 40 0 EEABRN Cc1nc(CC(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)cs1 ZINC000257206951 244137532 /nfs/dbraw/zinc/13/75/32/244137532.db2.gz BFPWCRDSGLWKSD-CQSZACIVSA-N 0 0 330.457 2.483 40 0 EEABRN CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2c(F)cccc2Cl)[C@H]1O ZINC000257203288 244128408 /nfs/dbraw/zinc/12/84/08/244128408.db2.gz APJCZCSVTSGAHS-IIAWOOMASA-N 0 0 329.799 2.408 40 0 EEABRN CCOC(Cn1nc(Br)nc1Br)OCC ZINC000071978789 203156314 /nfs/dbraw/zinc/15/63/14/203156314.db2.gz HILRNPDBSXHHLO-UHFFFAOYSA-N 0 0 343.019 2.202 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257209376 244145529 /nfs/dbraw/zinc/14/55/29/244145529.db2.gz BQDNXQONYHPWSU-HNNXBMFYSA-N 0 0 337.383 2.213 40 0 EEABRN Cc1cc(C[C@@H]2COCCN(C(=O)CCc3cccs3)C2)ncn1 ZINC000257212496 244152483 /nfs/dbraw/zinc/15/24/83/244152483.db2.gz CDSAIICXBGWVQY-HNNXBMFYSA-N 0 0 345.468 2.497 40 0 EEABRN CN(C)c1nccnc1[C@@H]1CN(CCc2ccc(F)cc2)CCO1 ZINC000257223980 244193649 /nfs/dbraw/zinc/19/36/49/244193649.db2.gz DZTKYHKPDONIMW-INIZCTEOSA-N 0 0 330.407 2.298 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 ZINC000072239176 203184209 /nfs/dbraw/zinc/18/42/09/203184209.db2.gz PESMVEKWBLNYIS-UHFFFAOYSA-N 0 0 337.401 2.013 40 0 EEABRN CNc1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072384914 203212671 /nfs/dbraw/zinc/21/26/71/203212671.db2.gz QUKWFJSAKDVUAL-AWEZNQCLSA-N 0 0 336.392 2.183 40 0 EEABRN CCn1ccc(NC(=O)[C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)n1 ZINC000072392171 203212761 /nfs/dbraw/zinc/21/27/61/203212761.db2.gz YLBLIXIFZLUOBA-CQSZACIVSA-N 0 0 342.399 2.012 40 0 EEABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3CCO)n2)n1 ZINC000072382369 203211236 /nfs/dbraw/zinc/21/12/36/203211236.db2.gz KOVSMKFLWIUPJU-AWEZNQCLSA-N 0 0 328.420 2.065 40 0 EEABRN Cc1ncsc1CN1CCO[C@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387835 203212035 /nfs/dbraw/zinc/21/20/35/203212035.db2.gz DCRRXFKXDATSQP-AWEZNQCLSA-N 0 0 333.461 2.189 40 0 EEABRN CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cc(C)no1 ZINC000072324279 203201207 /nfs/dbraw/zinc/20/12/07/203201207.db2.gz OSUGQEJCXGQZBI-JTQLQIEISA-N 0 0 348.384 2.070 40 0 EEABRN O=C(NC[C@H]1CCCN(C(=O)c2cscn2)C1)c1cccs1 ZINC000072324240 203201280 /nfs/dbraw/zinc/20/12/80/203201280.db2.gz UXARUSWPHHLJEE-LLVKDONJSA-N 0 0 335.454 2.487 40 0 EEABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)cc1 ZINC000072342253 203203933 /nfs/dbraw/zinc/20/39/33/203203933.db2.gz RZRAMGSFKWFIOT-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000072351111 203204774 /nfs/dbraw/zinc/20/47/74/203204774.db2.gz BTMZXBFKKVBVBB-UHFFFAOYSA-N 0 0 336.388 2.453 40 0 EEABRN Cc1ccc(Oc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)cc1 ZINC000072361850 203206098 /nfs/dbraw/zinc/20/60/98/203206098.db2.gz ADHSAIYSUYFZFQ-CQSZACIVSA-N 0 0 326.400 2.242 40 0 EEABRN Cc1ncccc1Oc1nccnc1C1CCN(S(C)(=O)=O)CC1 ZINC000072361968 203206685 /nfs/dbraw/zinc/20/66/85/203206685.db2.gz CDSNMXJGKAEWIE-UHFFFAOYSA-N 0 0 348.428 2.111 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(C(F)(F)F)nn2C)n1 ZINC000072390328 203213191 /nfs/dbraw/zinc/21/31/91/203213191.db2.gz GMIDCDKGFSGTDX-SECBINFHSA-N 0 0 329.326 2.071 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395667 203213385 /nfs/dbraw/zinc/21/33/85/203213385.db2.gz FDHNSLMXSIYHIH-XYJRDEOASA-N 0 0 339.390 2.163 40 0 EEABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000020098638 212100226 /nfs/dbraw/zinc/10/02/26/212100226.db2.gz UXIIVYZUCZVCSD-OAHLLOKOSA-N 0 0 333.411 2.379 40 0 EEABRN Cc1ccnn1CCC(=O)N(C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257268461 244367434 /nfs/dbraw/zinc/36/74/34/244367434.db2.gz MLTKKOMIJXSOHK-QGZVFWFLSA-N 0 0 341.459 2.412 40 0 EEABRN O=C(c1ccncn1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257268719 244370193 /nfs/dbraw/zinc/37/01/93/244370193.db2.gz MMWOJHUEFDDTJM-MRXNPFEDSA-N 0 0 348.406 2.356 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1OC ZINC000257268505 244370716 /nfs/dbraw/zinc/37/07/16/244370716.db2.gz MLZHNFPAKWUOHM-QAPCUYQASA-N 0 0 348.443 2.100 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 ZINC000257270276 244372546 /nfs/dbraw/zinc/37/25/46/244372546.db2.gz MTMSCXOOYOGMLP-OAHLLOKOSA-N 0 0 339.399 2.004 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)[C@@H]4CCCOC4)CC3)n2n1 ZINC000257317550 244508475 /nfs/dbraw/zinc/50/84/75/244508475.db2.gz VKFISPXTCNCRAM-OAHLLOKOSA-N 0 0 328.416 2.170 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257342905 244575143 /nfs/dbraw/zinc/57/51/43/244575143.db2.gz ZQODYSFMOIDYBS-CYBMUJFWSA-N 0 0 343.431 2.472 40 0 EEABRN CN(Cc1cscn1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000095445632 203744383 /nfs/dbraw/zinc/74/43/83/203744383.db2.gz KORXIMFVRAWLJS-UHFFFAOYSA-N 0 0 344.318 2.154 40 0 EEABRN CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)CC1CC1)CC2 ZINC000096087456 203830524 /nfs/dbraw/zinc/83/05/24/203830524.db2.gz ILXJXTYEISKGOV-INIZCTEOSA-N 0 0 327.428 2.189 40 0 EEABRN O=C(NCC[C@@H]1CCCCO1)NCc1cn(-c2ccccc2)nn1 ZINC000096500165 203893114 /nfs/dbraw/zinc/89/31/14/203893114.db2.gz VCFMIDJVELCWHG-INIZCTEOSA-N 0 0 329.404 2.026 40 0 EEABRN Cn1cc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224479 203875511 /nfs/dbraw/zinc/87/55/11/203875511.db2.gz KJQXYYSUWLRFEI-LJQANCHMSA-N 0 0 338.411 2.079 40 0 EEABRN Cn1cnc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)CC2)c1 ZINC000108532558 204265068 /nfs/dbraw/zinc/26/50/68/204265068.db2.gz CDEYVJRIKYIRIM-UHFFFAOYSA-N 0 0 344.459 2.065 40 0 EEABRN COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000108529697 204265466 /nfs/dbraw/zinc/26/54/66/204265466.db2.gz GTMCWINBPBFMPH-UHFFFAOYSA-N 0 0 348.418 2.317 40 0 EEABRN Nn1c(SCc2nc3ccccc3o2)nnc1C1CCOCC1 ZINC000079037005 217178451 /nfs/dbraw/zinc/17/84/51/217178451.db2.gz ZFALBZRVZQFFOY-UHFFFAOYSA-N 0 0 331.401 2.319 40 0 EEABRN O=C(COc1ccccc1F)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000130023797 205220680 /nfs/dbraw/zinc/22/06/80/205220680.db2.gz XOPQHOYHYSEDJV-CQSZACIVSA-N 0 0 329.375 2.385 40 0 EEABRN Cc1nc2c(cnn2C(C)(C)C)c(N(C)C2CCS(=O)CC2)n1 ZINC000095426305 218368437 /nfs/dbraw/zinc/36/84/37/218368437.db2.gz KUKPYVGEINEAFL-UHFFFAOYSA-N 0 0 335.477 2.237 40 0 EEABRN CC[C@H](O)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449950 218393957 /nfs/dbraw/zinc/39/39/57/218393957.db2.gz OGOTZCSWJSVETQ-APHBMKBZSA-N 0 0 341.402 2.170 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000095450085 218395058 /nfs/dbraw/zinc/39/50/58/218395058.db2.gz SCJWDNBHMDHMTN-NOOOWODRSA-N 0 0 327.783 2.191 40 0 EEABRN O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096855 218589887 /nfs/dbraw/zinc/58/98/87/218589887.db2.gz FSVZODSQLUZHIV-UHFFFAOYSA-N 0 0 333.775 2.107 40 0 EEABRN CCS(=O)(=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096097006 218590434 /nfs/dbraw/zinc/59/04/34/218590434.db2.gz XDTWDWATCHPSLS-UHFFFAOYSA-N 0 0 349.250 2.037 40 0 EEABRN O=S(=O)(NC1CCN(c2nccs2)CC1)c1ccc(F)cc1 ZINC000096099843 218593915 /nfs/dbraw/zinc/59/39/15/218593915.db2.gz VOPMECMEKFDXHV-UHFFFAOYSA-N 0 0 341.433 2.230 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCCC2)n1 ZINC000096101212 218594642 /nfs/dbraw/zinc/59/46/42/218594642.db2.gz ZSFJIBDSDMTRQX-AWEZNQCLSA-N 0 0 332.448 2.499 40 0 EEABRN COc1cc2s/c(=N/C(=O)c3cc(C)n(C)n3)n(C)c2cc1OC ZINC000012226477 207085887 /nfs/dbraw/zinc/08/58/87/207085887.db2.gz XCRUIMZJDMPFFS-WUKNDPDISA-N 0 0 346.412 2.040 40 0 EEABRN COc1ccc(-n2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2=O)cc1 ZINC000096192092 218661086 /nfs/dbraw/zinc/66/10/86/218661086.db2.gz MRILIRWUAJZLKV-OKILXGFUSA-N 0 0 342.395 2.096 40 0 EEABRN CC(C)(C)[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cccs1 ZINC000053445054 207165634 /nfs/dbraw/zinc/16/56/34/207165634.db2.gz RTONSORYTYCELD-AWEZNQCLSA-N 0 0 337.445 2.284 40 0 EEABRN Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000096407368 218758008 /nfs/dbraw/zinc/75/80/08/218758008.db2.gz IGUXWLSZBCNQJC-NJAFHUGGSA-N 0 0 342.418 2.448 40 0 EEABRN CN(C)[C@H](CNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cnn(C)c1 ZINC000096410709 218765048 /nfs/dbraw/zinc/76/50/48/218765048.db2.gz AJKOEPCQAQEUBS-BRWVUGGUSA-N 0 0 345.422 2.017 40 0 EEABRN CCOC(=O)c1csc(N(C)C(=O)[C@@H]2COc3ccccc32)n1 ZINC000177629549 207366435 /nfs/dbraw/zinc/36/64/35/207366435.db2.gz FYBMQILHAKOOKR-LLVKDONJSA-N 0 0 332.381 2.459 40 0 EEABRN CC(C)Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000014607203 207777913 /nfs/dbraw/zinc/77/79/13/207777913.db2.gz QQPFTAFODBZRDA-GFCCVEGCSA-N 0 0 331.351 2.138 40 0 EEABRN O=C(NC[C@H]1COC2(CCOCC2)O1)N1CCC[C@H]1c1ccccc1 ZINC000181027123 207875068 /nfs/dbraw/zinc/87/50/68/207875068.db2.gz PSMKUIXKVOGIAQ-IRXDYDNUSA-N 0 0 346.427 2.455 40 0 EEABRN CC[C@@H](CNC(=O)c1cncc(C)c1)NC(=O)c1cncc(C)c1 ZINC000096430897 218805307 /nfs/dbraw/zinc/80/53/07/218805307.db2.gz NQNXLDYAUURDEL-INIZCTEOSA-N 0 0 326.400 2.032 40 0 EEABRN CC[C@H](c1ccc(F)cc1F)N1CCN(CCS(C)(=O)=O)CC1 ZINC000096435785 218814112 /nfs/dbraw/zinc/81/41/12/218814112.db2.gz GEQIPCDCHAXXSW-MRXNPFEDSA-N 0 0 346.443 2.078 40 0 EEABRN O=C(c1ccc(-n2cncn2)c(F)c1)N1CC(=O)Nc2ccccc21 ZINC000096450236 218833286 /nfs/dbraw/zinc/83/32/86/218833286.db2.gz GKRSJWGCRYVNIY-UHFFFAOYSA-N 0 0 337.314 2.005 40 0 EEABRN Cc1nc(C)c(C(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)o1 ZINC000096466843 218847018 /nfs/dbraw/zinc/84/70/18/218847018.db2.gz PRTFYIFEPNRZCY-INIZCTEOSA-N 0 0 341.411 2.112 40 0 EEABRN CC(C)(CCS(C)(=O)=O)NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000096476009 218853529 /nfs/dbraw/zinc/85/35/29/218853529.db2.gz ZLQANWDTANJDEB-UHFFFAOYSA-N 0 0 338.351 2.439 40 0 EEABRN C[C@H]1CN(C(=O)NCCCc2ccccn2)CCN1CC(F)(F)F ZINC000096485996 218862275 /nfs/dbraw/zinc/86/22/75/218862275.db2.gz YBIICKDWZXCSNB-ZDUSSCGKSA-N 0 0 344.381 2.292 40 0 EEABRN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2([NH3+])C(=O)[O-])cc1 ZINC000242522433 257684122 /nfs/dbraw/zinc/68/41/22/257684122.db2.gz ISXIZBZONDYGSW-RYRKJORJSA-N 0 0 345.420 2.025 40 0 EEABRN CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945896 132198369 /nfs/dbraw/zinc/19/83/69/132198369.db2.gz MJWWBWSPPBJCIH-KRWDZBQOSA-N 0 0 331.391 2.418 40 0 EEABRN COc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1 ZINC000059727190 132804626 /nfs/dbraw/zinc/80/46/26/132804626.db2.gz JBBUTFIOWUCHJG-UHFFFAOYSA-N 0 0 345.468 2.195 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O)c(C)c1 ZINC000189391077 292238893 /nfs/dbraw/zinc/23/88/93/292238893.db2.gz UKMCWEWNBQQSQF-XHDPSFHLSA-N 0 0 344.333 2.384 40 0 EEABRN C[C@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)c2cccnc2O1 ZINC000158636692 279825305 /nfs/dbraw/zinc/82/53/05/279825305.db2.gz DZUZARDLEBPKBW-NSHDSACASA-N 0 0 339.330 2.229 40 0 EEABRN CC(C)(C)c1csc([C@H]2CN(c3ccc4nncn4n3)CCO2)n1 ZINC000295614938 293769184 /nfs/dbraw/zinc/76/91/84/293769184.db2.gz VQUNPANCUQOXTB-LLVKDONJSA-N 0 0 344.444 2.456 40 0 EEABRN Cc1ccnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000096181684 302277610 /nfs/dbraw/zinc/27/76/10/302277610.db2.gz LXHGINHYSKVTKQ-IAGOWNOFSA-N 0 0 343.358 2.066 40 0 EEABRN O[C@@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 ZINC000004078545 304838871 /nfs/dbraw/zinc/83/88/71/304838871.db2.gz XEYVZLZWQFLSDZ-JKJDWNRSSA-N 0 0 340.416 2.224 40 0 EEABRN COc1ccc(F)c(N2CCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)c1 ZINC000332407054 312002656 /nfs/dbraw/zinc/00/26/56/312002656.db2.gz YQKCYHOZLTYSFN-UHFFFAOYSA-N 0 0 345.374 2.206 40 0 EEABRN C[C@H](NC(=O)N1CCCN2c3ccccc3C[C@H]2C1)c1ccn(C)n1 ZINC000333691935 312183873 /nfs/dbraw/zinc/18/38/73/312183873.db2.gz CBCUEQKSEZCJSG-HOCLYGCPSA-N 0 0 339.443 2.328 40 0 EEABRN CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000529123944 317542784 /nfs/dbraw/zinc/54/27/84/317542784.db2.gz ZXEDUQGHXHEHEA-XIKOKIGWSA-N 0 0 349.406 2.351 40 0 EEABRN CC(C)NS(=O)(=O)c1cccnc1N1CCc2cccc(F)c2C1 ZINC000577091462 320231620 /nfs/dbraw/zinc/23/16/20/320231620.db2.gz UKMXYPYBROIBLK-UHFFFAOYSA-N 0 0 349.431 2.470 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000097099581 323320096 /nfs/dbraw/zinc/32/00/96/323320096.db2.gz ABFCYXZNYCSPFC-CQSZACIVSA-N 0 0 341.415 2.300 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)c2ccc(CNS(C)(=O)=O)o2)c(C)o1 ZINC000084754323 463628432 /nfs/dbraw/zinc/62/84/32/463628432.db2.gz CLCLIEXFTDLPPG-SNVBAGLBSA-N 0 0 340.401 2.030 40 0 EEABRN CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCS(C)(=O)=O ZINC000084752793 463628481 /nfs/dbraw/zinc/62/84/81/463628481.db2.gz TYPCZRGHXUNHQI-UHFFFAOYSA-N 0 0 331.865 2.460 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2ccccc2C)cc1 ZINC000298111846 465305773 /nfs/dbraw/zinc/30/57/73/465305773.db2.gz PJYNCZCJNZQBJL-UHFFFAOYSA-N 0 0 326.396 2.326 40 0 EEABRN O=C(c1ccc(F)cc1Cl)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436680 462547920 /nfs/dbraw/zinc/54/79/20/462547920.db2.gz UTWUXCCHLXWLRM-OAHLLOKOSA-N 0 0 326.799 2.008 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)[C@@H]1CC=CCC1 ZINC000085467778 462549293 /nfs/dbraw/zinc/54/92/93/462549293.db2.gz KNESCDOKEHXUGW-NVXWUHKLSA-N 0 0 345.418 2.235 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCO3)s1 ZINC000085559372 462552533 /nfs/dbraw/zinc/55/25/33/462552533.db2.gz VCIQAVDPYTUVCG-ZDUSSCGKSA-N 0 0 339.438 2.003 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCC(Oc3cnccn3)CC2)c1 ZINC000085557272 462552639 /nfs/dbraw/zinc/55/26/39/462552639.db2.gz CXNSNOWXOLIZCN-UHFFFAOYSA-N 0 0 326.400 2.226 40 0 EEABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000045520841 462593282 /nfs/dbraw/zinc/59/32/82/462593282.db2.gz RBFYOMJLLJLBKT-UHFFFAOYSA-N 0 0 329.374 2.030 40 0 EEABRN COc1ccc2nc(N3CC(C(=O)Nc4ccon4)C3)sc2c1 ZINC000062023126 462606700 /nfs/dbraw/zinc/60/67/00/462606700.db2.gz FOKLYPPMPRFIPL-UHFFFAOYSA-N 0 0 330.369 2.368 40 0 EEABRN NC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2 ZINC000003079082 462609983 /nfs/dbraw/zinc/60/99/83/462609983.db2.gz IRRJZAVFRDACKO-UHFFFAOYSA-N 0 0 345.449 2.463 40 0 EEABRN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)CCC2 ZINC000003606401 462625538 /nfs/dbraw/zinc/62/55/38/462625538.db2.gz FSQOSGFQSDWVOS-UHFFFAOYSA-N 0 0 335.367 2.169 40 0 EEABRN O=C(c1ccccc1)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000004260735 462630720 /nfs/dbraw/zinc/63/07/20/462630720.db2.gz SYZMETRFQBJHLG-SJORKVTESA-N 0 0 349.390 2.022 40 0 biogenic,in-vitro EEABRN O=S(=O)(c1ccc(F)cc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004703368 462636295 /nfs/dbraw/zinc/63/62/95/462636295.db2.gz CWGZRJOVTJJOJA-VBQJREDUSA-N 0 0 338.448 2.321 40 0 EEABRN CCCc1nnc(SCC(=O)N2CCC[C@H](C)C2)n1CCOC ZINC000004878307 462639384 /nfs/dbraw/zinc/63/93/84/462639384.db2.gz PLASLSIBHNVXOS-ZDUSSCGKSA-N 0 0 340.493 2.228 40 0 EEABRN CC(C)(C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000006159230 462678983 /nfs/dbraw/zinc/67/89/83/462678983.db2.gz ZZWVLPYPWNNYSV-UHFFFAOYSA-N 0 0 332.853 2.016 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NCCSC2CCCC2)c1 ZINC000046457033 462681073 /nfs/dbraw/zinc/68/10/73/462681073.db2.gz CCOJVVGAELISDK-UHFFFAOYSA-N 0 0 342.486 2.000 40 0 EEABRN O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006700009 462698835 /nfs/dbraw/zinc/69/88/35/462698835.db2.gz KRHNZEPQXTXLJB-OHFALNGGSA-N 0 0 334.460 2.210 40 0 EEABRN COC(=O)c1ccc2nc(NC(=S)N3CCOCC3)sc2c1 ZINC000006735166 462700764 /nfs/dbraw/zinc/70/07/64/462700764.db2.gz VGDLXIVIWVCXJN-UHFFFAOYSA-N 0 0 337.426 2.112 40 0 EEABRN CCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006947133 462714206 /nfs/dbraw/zinc/71/42/06/462714206.db2.gz GFLDENNNUYQSIK-JTQLQIEISA-N 0 0 349.836 2.359 40 0 EEABRN CCc1cccc(CC)c1N1C[C@H](C(=O)NC[C@@H]2CCCO2)CC1=O ZINC000007928195 462758037 /nfs/dbraw/zinc/75/80/37/462758037.db2.gz QTOJZKLFOSCPIS-SJORKVTESA-N 0 0 344.455 2.460 40 0 EEABRN CSc1nc(Cl)cc(Sc2nc(N)nc3nc[nH]c32)n1 ZINC000008615340 462790464 /nfs/dbraw/zinc/79/04/64/462790464.db2.gz FJYYEZUYGQCZOA-UHFFFAOYSA-N 0 0 325.810 2.252 40 0 EEABRN COc1ccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000009973922 462809076 /nfs/dbraw/zinc/80/90/76/462809076.db2.gz OKNPWCSSDNINQL-UHFFFAOYSA-N 0 0 344.367 2.081 40 0 EEABRN O=S1(=O)CC[C@H](NC[C@@H](O)c2ccco2)c2cc(Cl)ccc21 ZINC000155018176 462836361 /nfs/dbraw/zinc/83/63/61/462836361.db2.gz ISWJWOSSBHGOHK-QWHCGFSZSA-N 0 0 341.816 2.475 40 0 EEABRN Cc1nn(CC(=O)N(C(C)C)C(C)C)c(=O)c2cc3occc3n21 ZINC000012115432 462843574 /nfs/dbraw/zinc/84/35/74/462843574.db2.gz IRXQSTYMSLHKNG-UHFFFAOYSA-N 0 0 330.388 2.196 40 0 EEABRN COCCn1c2ccccc2n2c(=O)n(Cc3ccc(F)cc3)nc12 ZINC000012145081 462845417 /nfs/dbraw/zinc/84/54/17/462845417.db2.gz OKAIWVFLNLQMAQ-UHFFFAOYSA-N 0 0 340.358 2.285 40 0 EEABRN COc1nc(C)c(CC(=O)Nc2cccc3[nH]c(C)nc32)c(OC)n1 ZINC000012143805 462846013 /nfs/dbraw/zinc/84/60/13/462846013.db2.gz RPGWRLMTQFDLSC-UHFFFAOYSA-N 0 0 341.371 2.168 40 0 EEABRN O=C(c1ccc(=O)[nH]n1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181010 462846308 /nfs/dbraw/zinc/84/63/08/462846308.db2.gz SBFDFCONNJJPPU-LQDVMPOASA-N 0 0 327.359 2.460 40 0 EEABRN Cc1ccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000012184723 462846960 /nfs/dbraw/zinc/84/69/60/462846960.db2.gz VSHYAPIAIWWUAM-CYBMUJFWSA-N 0 0 342.443 2.466 40 0 EEABRN O=C(Cc1ccccc1F)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000012365060 462851603 /nfs/dbraw/zinc/85/16/03/462851603.db2.gz ODXOJBAYTKXLAT-ZDUSSCGKSA-N 0 0 339.374 2.441 40 0 EEABRN O=C(c1cccs1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 ZINC000012408231 462853396 /nfs/dbraw/zinc/85/33/96/462853396.db2.gz VXVKHKUHPOKAPU-ZDUSSCGKSA-N 0 0 340.412 2.101 40 0 EEABRN Cc1noc(-c2cnc(C)nc2CCNC(=O)c2cccnc2)c1C ZINC000012747693 462865758 /nfs/dbraw/zinc/86/57/58/462865758.db2.gz MZWFUMQFHGERDO-UHFFFAOYSA-N 0 0 337.383 2.424 40 0 EEABRN CCN(CC)C(=O)CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1 ZINC000013453897 462893088 /nfs/dbraw/zinc/89/30/88/462893088.db2.gz UMFXQKPXZDKKEX-UHFFFAOYSA-N 0 0 339.461 2.484 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=S)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000016243223 462972880 /nfs/dbraw/zinc/97/28/80/462972880.db2.gz FPTBIQWATQVRSL-HUBLWGQQSA-N 0 0 333.457 2.193 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017055033 462993381 /nfs/dbraw/zinc/99/33/81/462993381.db2.gz ODWOCOIVEJNIBB-LLVKDONJSA-N 0 0 332.853 2.121 40 0 EEABRN CC(=O)N1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 ZINC000019704421 463020908 /nfs/dbraw/zinc/02/09/08/463020908.db2.gz SLDLITLQJJFBQJ-CYBMUJFWSA-N 0 0 336.399 2.301 40 0 EEABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CC1 ZINC000020234287 463025467 /nfs/dbraw/zinc/02/54/67/463025467.db2.gz DSONWDARRLKLFU-UHFFFAOYSA-N 0 0 348.399 2.300 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000095405982 463078195 /nfs/dbraw/zinc/07/81/95/463078195.db2.gz CUNWAVPDIYITNP-WDEREUQCSA-N 0 0 341.395 2.439 40 0 EEABRN O=C(COc1ccccc1Br)NC[C@H](O)c1ccco1 ZINC000095449047 463086922 /nfs/dbraw/zinc/08/69/22/463086922.db2.gz CHEJTFSEACKAQW-NSHDSACASA-N 0 0 340.173 2.271 40 0 EEABRN CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000135335204 463144623 /nfs/dbraw/zinc/14/46/23/463144623.db2.gz ZNWWEFMIIBFRFK-NXHRZFHOSA-N 0 0 334.460 2.497 40 0 EEABRN Cc1cc(CN2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)no1 ZINC000096041388 463146267 /nfs/dbraw/zinc/14/62/67/463146267.db2.gz YPYMGXQUHQUSBZ-BZSNNMDCSA-N 0 0 329.400 2.327 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041726 463146731 /nfs/dbraw/zinc/14/67/31/463146731.db2.gz PBRXWAZSCWQIRO-ZMSDIMECSA-N 0 0 328.368 2.263 40 0 EEABRN c1csc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042458 463147584 /nfs/dbraw/zinc/14/75/84/463147584.db2.gz VRVWPAYABHZUPK-INMHGKMJSA-N 0 0 331.441 2.487 40 0 EEABRN COC(=O)c1ccc(-c2noc(C3CCN(C(C)=O)CC3)n2)cc1 ZINC000078775031 463148633 /nfs/dbraw/zinc/14/86/33/463148633.db2.gz ZCSWIHVHZDFSRQ-UHFFFAOYSA-N 0 0 329.356 2.249 40 0 EEABRN O=C1N(c2ccsc2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096048771 463153629 /nfs/dbraw/zinc/15/36/29/463153629.db2.gz YPTIIJMAGSFDAK-OAHLLOKOSA-N 0 0 340.470 2.059 40 0 EEABRN CCOC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21 ZINC000096068631 463165837 /nfs/dbraw/zinc/16/58/37/463165837.db2.gz MBAFHPWJFKTIFD-HNNXBMFYSA-N 0 0 343.427 2.270 40 0 EEABRN Cc1cccc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)n1 ZINC000096100964 463172724 /nfs/dbraw/zinc/17/27/24/463172724.db2.gz VIQNKJDUUBLFCW-UHFFFAOYSA-N 0 0 341.415 2.392 40 0 EEABRN Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)n(C)n1 ZINC000096101248 463173019 /nfs/dbraw/zinc/17/30/19/463173019.db2.gz VQYZSTWZDXDCNY-UHFFFAOYSA-N 0 0 328.420 2.494 40 0 EEABRN Cn1cc(C(=O)N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)cn1 ZINC000096106520 463175215 /nfs/dbraw/zinc/17/52/15/463175215.db2.gz OWRGQHBLHBQDQV-QGZVFWFLSA-N 0 0 347.459 2.106 40 0 EEABRN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccncc1F)C2 ZINC000096111921 463179936 /nfs/dbraw/zinc/17/99/36/463179936.db2.gz YLQHIEKMIWPSKH-BBRMVZONSA-N 0 0 327.359 2.219 40 0 biogenic,in-vitro EEABRN CC[C@H](NC(=O)NCCOC)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000079028957 463180831 /nfs/dbraw/zinc/18/08/31/463180831.db2.gz UFNAAEZPGOIWIO-STQMWFEESA-N 0 0 334.338 2.463 40 0 EEABRN O=S(=O)(C1CC1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119157 463181549 /nfs/dbraw/zinc/18/15/49/463181549.db2.gz DGSKRRLQPWQEPX-JTQLQIEISA-N 0 0 339.442 2.470 40 0 EEABRN Cc1nnnn1-c1cc(NC(=O)[C@@H]2COc3ccccc32)ccc1C ZINC000079092795 463188727 /nfs/dbraw/zinc/18/87/27/463188727.db2.gz RTURUJPHLFXFDX-OAHLLOKOSA-N 0 0 335.367 2.394 40 0 EEABRN O=C(C1CC=CC1)N1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158356 463189641 /nfs/dbraw/zinc/18/96/41/463189641.db2.gz QVGYMZBJIHOOIG-SFHVURJKSA-N 0 0 330.407 2.401 40 0 EEABRN Cn1ccnc1CN1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC000096161374 463192368 /nfs/dbraw/zinc/19/23/68/463192368.db2.gz KCYFOEHGFIEYJI-QGZVFWFLSA-N 0 0 338.455 2.258 40 0 EEABRN COc1c(Br)c(C(=O)NCc2ccccc2F)nn1C ZINC000096181026 463193940 /nfs/dbraw/zinc/19/39/40/463193940.db2.gz SPZFSJWMNAYPSG-UHFFFAOYSA-N 0 0 342.168 2.260 40 0 EEABRN CCn1ccc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2OC)n1 ZINC000096183331 463194473 /nfs/dbraw/zinc/19/44/73/463194473.db2.gz RTGFLFBYWJTZFL-UHFFFAOYSA-N 0 0 340.387 2.112 40 0 EEABRN CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccs2)O1 ZINC000096186053 463197422 /nfs/dbraw/zinc/19/74/22/463197422.db2.gz LKYLTHVPSDABAR-AVGNSLFASA-N 0 0 331.459 2.095 40 0 EEABRN Cc1c(CNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)cnn1C ZINC000096192654 463201456 /nfs/dbraw/zinc/20/14/56/463201456.db2.gz IAUJEASMCKQEBS-QGZVFWFLSA-N 0 0 330.363 2.067 40 0 EEABRN O=C(CCc1cccnc1)Nc1cccnc1N1CCC(CO)CC1 ZINC000079358673 463207876 /nfs/dbraw/zinc/20/78/76/463207876.db2.gz SVFHOCKLNAVXLH-UHFFFAOYSA-N 0 0 340.427 2.257 40 0 EEABRN CS(=O)(=O)N1CC[C@@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096206328 463208636 /nfs/dbraw/zinc/20/86/36/463208636.db2.gz LTLXBFGUGKLQHT-FUHWJXTLSA-N 0 0 346.452 2.353 40 0 EEABRN O=C(C1=CCCC1)N1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096206770 463209081 /nfs/dbraw/zinc/20/90/81/463209081.db2.gz ZJMUEZXFYXNEQC-CRAIPNDOSA-N 0 0 328.416 2.149 40 0 EEABRN Cc1nc(CN2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cs1 ZINC000096207011 463210318 /nfs/dbraw/zinc/21/03/18/463210318.db2.gz GRGUMEWRDPRCPQ-NVXWUHKLSA-N 0 0 335.473 2.197 40 0 EEABRN Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]3O2)o1 ZINC000096215847 463213190 /nfs/dbraw/zinc/21/31/90/463213190.db2.gz DXRHYTFXQKFNNV-BQMDAMGRSA-N 0 0 345.424 2.311 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096219022 463216782 /nfs/dbraw/zinc/21/67/82/463216782.db2.gz XDVZZGXLKVDTML-YJBOKZPZSA-N 0 0 327.384 2.469 40 0 EEABRN O=C(N[C@H]1COCCC12CCN(Cc1nccs1)CC2)C1CC1 ZINC000096220473 463218017 /nfs/dbraw/zinc/21/80/17/463218017.db2.gz BFCDGWGYWDFNCR-AWEZNQCLSA-N 0 0 335.473 2.040 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096222861 463219045 /nfs/dbraw/zinc/21/90/45/463219045.db2.gz OQAOSXNQENLYQM-LPHOPBHVSA-N 0 0 340.427 2.296 40 0 EEABRN Cc1nocc1C(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096224550 463220978 /nfs/dbraw/zinc/22/09/78/463220978.db2.gz SJEGLOJVGQQUMY-SFHVURJKSA-N 0 0 340.383 2.037 40 0 EEABRN c1nnc(N2CCC[C@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096229017 463222017 /nfs/dbraw/zinc/22/20/17/463222017.db2.gz BSGOGKPWHXIMTB-INIZCTEOSA-N 0 0 331.445 2.057 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC2(CC1)COCCN(c1cccnc1)C2 ZINC000096239989 463224184 /nfs/dbraw/zinc/22/41/84/463224184.db2.gz IEHRPYZQMFOBEY-UHFFFAOYSA-N 0 0 340.427 2.169 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cccc(C)n3)C[C@H]21 ZINC000096248821 463226697 /nfs/dbraw/zinc/22/66/97/463226697.db2.gz QRGKMQAOBLGUBI-MOPGFXCFSA-N 0 0 342.443 2.080 40 0 EEABRN CC(C)Sc1ccc(CC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000096365078 463236394 /nfs/dbraw/zinc/23/63/94/463236394.db2.gz AZVPHWSZVGCPEM-HNNXBMFYSA-N 0 0 341.498 2.375 40 0 EEABRN Cc1ccc2cccc(NC(=O)NCCCN3CCOCC3)c2n1 ZINC000096406197 463239263 /nfs/dbraw/zinc/23/92/63/463239263.db2.gz QGMFNHNCWJIQNR-UHFFFAOYSA-N 0 0 328.416 2.387 40 0 EEABRN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096407549 463240432 /nfs/dbraw/zinc/24/04/32/463240432.db2.gz QIWKRQVHSBLZLC-WMZOPIPTSA-N 0 0 344.455 2.338 40 0 EEABRN CN(C(=O)C1(C)CCOCC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000096406500 463240470 /nfs/dbraw/zinc/24/04/70/463240470.db2.gz PUUUEVAPZAYJAL-INIZCTEOSA-N 0 0 330.428 2.457 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCO1 ZINC000096408152 463241131 /nfs/dbraw/zinc/24/11/31/463241131.db2.gz AOERMZUITSWXBW-RISCZKNCSA-N 0 0 326.343 2.162 40 0 EEABRN Cc1ccccc1CN(C)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096410717 463243392 /nfs/dbraw/zinc/24/33/92/463243392.db2.gz UZKCXOLGWAXYOR-KRWDZBQOSA-N 0 0 329.448 2.173 40 0 EEABRN O=C(Cc1cccs1)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414547 463246937 /nfs/dbraw/zinc/24/69/37/463246937.db2.gz RMPPRZRDQAHCLM-UHFFFAOYSA-N 0 0 330.335 2.328 40 0 EEABRN Cc1cccc(Cn2nccc2NC(=O)CNC(=O)c2ccccn2)c1 ZINC000096416986 463249468 /nfs/dbraw/zinc/24/94/68/463249468.db2.gz UFQQFRFNLTXCTH-UHFFFAOYSA-N 0 0 349.394 2.003 40 0 EEABRN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1COCCN1 ZINC000096424771 463254674 /nfs/dbraw/zinc/25/46/74/463254674.db2.gz WRZCJDJDFWNUSZ-QGZVFWFLSA-N 0 0 330.359 2.223 40 0 EEABRN CCCc1nc(CNc2ccccc2C(=O)N2CCC[C@H]2CO)no1 ZINC000096427530 463256725 /nfs/dbraw/zinc/25/67/25/463256725.db2.gz KGVCTHBQJLCOLI-ZDUSSCGKSA-N 0 0 344.415 2.231 40 0 EEABRN CC(C)n1cc(S(=O)(=O)NCc2cccc(-n3ccnc3)c2)cn1 ZINC000096428058 463258248 /nfs/dbraw/zinc/25/82/48/463258248.db2.gz RQJKBLUWLUYFEG-UHFFFAOYSA-N 0 0 345.428 2.128 40 0 EEABRN Cc1ccc(=O)n(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)n1 ZINC000096432991 463261308 /nfs/dbraw/zinc/26/13/08/463261308.db2.gz NQOSFMKMHSBMHJ-INIZCTEOSA-N 0 0 331.391 2.074 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCCNc1ccccn1 ZINC000096435991 463263384 /nfs/dbraw/zinc/26/33/84/463263384.db2.gz FOLAZROLLVDGKO-UHFFFAOYSA-N 0 0 339.374 2.177 40 0 EEABRN Cc1cc(NC(=O)NCC[S@](C)=O)ccc1OCC(F)(F)F ZINC000096435075 463264045 /nfs/dbraw/zinc/26/40/45/463264045.db2.gz CVJZLTNQQKXFIA-JOCHJYFZSA-N 0 0 338.351 2.436 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)c2ccc(-c3ccccc3)n2C)cn1 ZINC000096437416 463265209 /nfs/dbraw/zinc/26/52/09/463265209.db2.gz KYHLAVUHEYXXNA-LJQANCHMSA-N 0 0 338.411 2.063 40 0 EEABRN Cc1ccc([C@](C)(O)CNC(=O)NC[C@H]2Cc3ccccc3O2)o1 ZINC000096437782 463266064 /nfs/dbraw/zinc/26/60/64/463266064.db2.gz JYTYBOPVXMBOCH-RDTXWAMCSA-N 0 0 330.384 2.098 40 0 EEABRN O=C(NCCc1ccccc1F)N1CCN(Cc2ccccn2)CC1 ZINC000159061637 463267153 /nfs/dbraw/zinc/26/71/53/463267153.db2.gz AFMQZWUQNQBETB-UHFFFAOYSA-N 0 0 342.418 2.291 40 0 EEABRN Cc1cccc(OC[C@@H](C)NC(=O)[C@H]2CCCN2c2ncccn2)c1 ZINC000096446776 463270968 /nfs/dbraw/zinc/27/09/68/463270968.db2.gz FMXDJDXJYJQWHC-NVXWUHKLSA-N 0 0 340.427 2.338 40 0 EEABRN C[C@](O)(CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccsc1 ZINC000096450357 463272077 /nfs/dbraw/zinc/27/20/77/463272077.db2.gz VCAYDVUETNTTSI-WFASDCNBSA-N 0 0 337.470 2.197 40 0 EEABRN CCc1cccc2c(CCNS(=O)(=O)C[C@H]3CCOC3)c[nH]c21 ZINC000096453015 463274133 /nfs/dbraw/zinc/27/41/33/463274133.db2.gz HHVMAYADECSTRA-ZDUSSCGKSA-N 0 0 336.457 2.229 40 0 EEABRN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CCC[C@H]1CO ZINC000096454943 463275722 /nfs/dbraw/zinc/27/57/22/463275722.db2.gz PXUFXTDNLQUOFP-MGUXCZDKSA-N 0 0 336.335 2.303 40 0 EEABRN CC(C)CO[C@H]1CCN(C(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000096468954 463277561 /nfs/dbraw/zinc/27/75/61/463277561.db2.gz KXSXXHVZNGJUHR-WNSKOXEYSA-N 0 0 338.473 2.381 40 0 EEABRN COCc1noc(CN2CCC[C@@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495619 463289201 /nfs/dbraw/zinc/28/92/01/463289201.db2.gz RGPDHXRGDNIYMG-GFCCVEGCSA-N 0 0 338.795 2.308 40 0 EEABRN O=C(Cc1cc[nH]n1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495846 463289256 /nfs/dbraw/zinc/28/92/56/463289256.db2.gz IBZGGTNUUJZKFH-CQSZACIVSA-N 0 0 336.399 2.144 40 0 EEABRN COc1cccc2c1CCN(C(=O)NCc1csc(N(C)C)n1)C2 ZINC000096501280 463291088 /nfs/dbraw/zinc/29/10/88/463291088.db2.gz LJQDZRLMTGRATR-UHFFFAOYSA-N 0 0 346.456 2.486 40 0 EEABRN CCc1nc(C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)co1 ZINC000096502622 463292796 /nfs/dbraw/zinc/29/27/96/463292796.db2.gz MSXURIMESHJEKS-UHFFFAOYSA-N 0 0 345.374 2.411 40 0 EEABRN CN(C)c1ccnc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000097104167 463325209 /nfs/dbraw/zinc/32/52/09/463325209.db2.gz HRPCXYKFQCEEEY-KRWDZBQOSA-N 0 0 340.427 2.364 40 0 EEABRN CCc1cnc([C@@H](C)NC(=O)NCc2c(C)nn(C)c2OC)s1 ZINC000097377848 463356662 /nfs/dbraw/zinc/35/66/62/463356662.db2.gz DWEVDNOVLURZGQ-SNVBAGLBSA-N 0 0 337.449 2.316 40 0 EEABRN Cc1nccc(N2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000097376475 463356788 /nfs/dbraw/zinc/35/67/88/463356788.db2.gz QPVPICDSHMMKIR-SJORKVTESA-N 0 0 337.427 2.173 40 0 EEABRN O=S(=O)(c1ccccc1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000097953706 463367540 /nfs/dbraw/zinc/36/75/40/463367540.db2.gz LVCLDVHKSGSXPP-GVDBMIGSSA-N 0 0 337.441 2.034 40 0 EEABRN O=C(c1ccco1)C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(O)=C12 ZINC000100355144 463373386 /nfs/dbraw/zinc/37/33/86/463373386.db2.gz ZSSRQXHPMMZSJB-FZMZJTMJSA-N 0 0 344.710 2.060 40 0 EEABRN CC1(C)CN=C(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)S1 ZINC000081016831 463382532 /nfs/dbraw/zinc/38/25/32/463382532.db2.gz DAXANGSNXCHVTH-UHFFFAOYSA-N 0 0 347.444 2.329 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000032611055 463382864 /nfs/dbraw/zinc/38/28/64/463382864.db2.gz KUYIPKFPRXDJSC-UHFFFAOYSA-N 0 0 348.397 2.273 40 0 EEABRN Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 ZINC000033737807 463424366 /nfs/dbraw/zinc/42/43/66/463424366.db2.gz URAMLXWSFJYFTO-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1cnn2C)Cn1cccn1 ZINC000036616446 463436727 /nfs/dbraw/zinc/43/67/27/463436727.db2.gz XBJAQTSCLIWTKY-LBPRGKRZSA-N 0 0 338.415 2.108 40 0 EEABRN CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000037493927 463442561 /nfs/dbraw/zinc/44/25/61/463442561.db2.gz CWJZVDIKNYFMEZ-UHFFFAOYSA-N 0 0 339.233 2.437 40 0 EEABRN CC(C)(NS(C)(=O)=O)c1nc(Cc2cccc(Cl)c2)no1 ZINC000081533849 463455799 /nfs/dbraw/zinc/45/57/99/463455799.db2.gz KFVJMPBNTVMBLW-UHFFFAOYSA-N 0 0 329.809 2.098 40 0 EEABRN Cc1nc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2[nH]1 ZINC000041120956 463468061 /nfs/dbraw/zinc/46/80/61/463468061.db2.gz CWEJEFXZZICQRD-UHFFFAOYSA-N 0 0 326.379 2.123 40 0 EEABRN Cn1cc(Br)cc(NC(=O)COc2ccccc2)c1=O ZINC000081657359 463477726 /nfs/dbraw/zinc/47/77/26/463477726.db2.gz MVRNGKJEEWGQQP-UHFFFAOYSA-N 0 0 337.173 2.165 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 ZINC000057355924 463480958 /nfs/dbraw/zinc/48/09/58/463480958.db2.gz AKCYXIDWGBKPCA-FUHWJXTLSA-N 0 0 332.444 2.447 40 0 EEABRN O=Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000072206387 463482257 /nfs/dbraw/zinc/48/22/57/463482257.db2.gz CWHLLJFHGXZOBR-UHFFFAOYSA-N 0 0 344.436 2.006 40 0 EEABRN O=C1COc2nc3cc4c(cc3cc2CN1Cc1ccco1)OCO4 ZINC000072341565 463508981 /nfs/dbraw/zinc/50/89/81/463508981.db2.gz PUIZGZDRJDGUDH-UHFFFAOYSA-N 0 0 338.319 2.478 40 0 EEABRN C[C@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)C[C@H](C)O1 ZINC000083669020 463553199 /nfs/dbraw/zinc/55/31/99/463553199.db2.gz PSWJOYMCCDLMRG-HOTGVXAUSA-N 0 0 342.443 2.445 40 0 EEABRN CN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 ZINC000257220079 463756840 /nfs/dbraw/zinc/75/68/40/463756840.db2.gz DJLFGORCSQICKR-QGZVFWFLSA-N 0 0 346.456 2.064 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)ccn1 ZINC000257280631 463760097 /nfs/dbraw/zinc/76/00/97/463760097.db2.gz OLQPYFWVLUYTMQ-AWEZNQCLSA-N 0 0 326.400 2.268 40 0 EEABRN COc1ccc(OCC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000257291336 463764644 /nfs/dbraw/zinc/76/46/44/463764644.db2.gz QGNNTMKSRKMXIT-LPHOPBHVSA-N 0 0 346.427 2.124 40 0 EEABRN O=C(Cc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257294475 463765845 /nfs/dbraw/zinc/76/58/45/463765845.db2.gz QUIWATBBZHECHP-INIZCTEOSA-N 0 0 329.375 2.018 40 0 EEABRN Cc1cc(CC[C@H]2CN(C(=O)Cc3cccs3)CCO2)ncn1 ZINC000257292834 463766454 /nfs/dbraw/zinc/76/64/54/463766454.db2.gz QNDMCYQWGVMHIQ-HNNXBMFYSA-N 0 0 331.441 2.249 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccc(C)s2)n1 ZINC000257296947 463767814 /nfs/dbraw/zinc/76/78/14/463767814.db2.gz RFCYOBGOTWFOPY-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1ocnc1C(=O)N1C[C@@H]2[C@H](N(C)c3ccc(C)nn3)CC[C@@H]2C1 ZINC000257308986 463772363 /nfs/dbraw/zinc/77/23/63/463772363.db2.gz TZBCHALFEFQVRL-QLFBSQMISA-N 0 0 341.415 2.068 40 0 EEABRN O=C(/C=C/c1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 ZINC000257310939 463773466 /nfs/dbraw/zinc/77/34/66/463773466.db2.gz UHGPASHLRMWPHN-LSMGEYOZSA-N 0 0 342.411 2.064 40 0 EEABRN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)cn2nccc12 ZINC000257319200 463775886 /nfs/dbraw/zinc/77/58/86/463775886.db2.gz VRGDPZAFXKOKIZ-OAHLLOKOSA-N 0 0 335.411 2.425 40 0 EEABRN COCc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cc1 ZINC000257319540 463776706 /nfs/dbraw/zinc/77/67/06/463776706.db2.gz VSYSCXDBVUYZOJ-INIZCTEOSA-N 0 0 341.411 2.447 40 0 EEABRN COc1ccc([C@H]2Cn3ccnc3CN2C(=O)c2ccncn2)cc1 ZINC000257322486 463778255 /nfs/dbraw/zinc/77/82/55/463778255.db2.gz WGDRVLFDKWTDDS-MRXNPFEDSA-N 0 0 335.367 2.079 40 0 EEABRN Cc1cc2nc([C@H]3CCCCN3CC(=O)N3CCCC3)ccn2n1 ZINC000257323886 463778319 /nfs/dbraw/zinc/77/83/19/463778319.db2.gz WMGGCSYYLJTKMC-MRXNPFEDSA-N 0 0 327.432 2.187 40 0 EEABRN CCn1nccc1-c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000257331867 463780950 /nfs/dbraw/zinc/78/09/50/463780950.db2.gz XUPHALCFDMRKDR-OAHLLOKOSA-N 0 0 348.472 2.179 40 0 EEABRN CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)n1 ZINC000257335755 463782201 /nfs/dbraw/zinc/78/22/01/463782201.db2.gz YLSLJWDKQNFALJ-ZDUSSCGKSA-N 0 0 345.403 2.080 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257335312 463782845 /nfs/dbraw/zinc/78/28/45/463782845.db2.gz YJPUYOYVDJCYLA-UHFFFAOYSA-N 0 0 331.507 2.392 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260892865 463791989 /nfs/dbraw/zinc/79/19/89/463791989.db2.gz FDCTZFKVUWTUEU-MNOVXSKESA-N 0 0 348.415 2.280 40 0 EEABRN COC(=O)[C@H]1CC[C@@H](NC(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000194936459 463961958 /nfs/dbraw/zinc/96/19/58/463961958.db2.gz RZBPSHGQJNYADT-SMDDNHRTSA-N 0 0 326.343 2.148 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@H](O)c1cccs1 ZINC000195531272 464072214 /nfs/dbraw/zinc/07/22/14/464072214.db2.gz BLEHCGUYJPPOGW-HNNXBMFYSA-N 0 0 345.399 2.465 40 0 EEABRN Cc1cccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000222419217 464130121 /nfs/dbraw/zinc/13/01/21/464130121.db2.gz QMFOTSACGUNFOX-UHFFFAOYSA-N 0 0 332.425 2.321 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000223203181 464138036 /nfs/dbraw/zinc/13/80/36/464138036.db2.gz YCTCHCUVGBICJM-AWEZNQCLSA-N 0 0 327.428 2.474 40 0 EEABRN COc1ccc(OC)c(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000223749233 464147081 /nfs/dbraw/zinc/14/70/81/464147081.db2.gz YRHFPTZZSLNPSV-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1 ZINC000224164542 464148281 /nfs/dbraw/zinc/14/82/81/464148281.db2.gz OWCLAPXMOMJXHT-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN Cc1cc(C)cc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000224254252 464149839 /nfs/dbraw/zinc/14/98/39/464149839.db2.gz DVBNSTDHMMSJFW-UHFFFAOYSA-N 0 0 325.416 2.098 40 0 EEABRN CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC[C@@H]1C ZINC000187683811 464149883 /nfs/dbraw/zinc/14/98/83/464149883.db2.gz OFXAQSVELNXKOC-GRDNDAEWSA-N 0 0 343.431 2.395 40 0 EEABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000225038477 464153205 /nfs/dbraw/zinc/15/32/05/464153205.db2.gz BTQSERRDSQCVBZ-UGZWPXFQSA-N 0 0 335.337 2.013 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1 ZINC000225422110 464158647 /nfs/dbraw/zinc/15/86/47/464158647.db2.gz HSCUZMIIQOBRKF-LBPRGKRZSA-N 0 0 344.864 2.191 40 0 EEABRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cn1 ZINC000225513346 464168417 /nfs/dbraw/zinc/16/84/17/464168417.db2.gz PWNURAHXQZNOLJ-AWEZNQCLSA-N 0 0 327.432 2.072 40 0 EEABRN C[C@]1(c2ccccc2)CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1=O ZINC000179976866 464218019 /nfs/dbraw/zinc/21/80/19/464218019.db2.gz NFTVYQWDOHADDU-HXUWFJFHSA-N 0 0 346.390 2.484 40 0 EEABRN CCn1c(SCCN2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000188190232 464219345 /nfs/dbraw/zinc/21/93/45/464219345.db2.gz OYBHYIJHHZWHJG-CYBMUJFWSA-N 0 0 333.461 2.173 40 0 EEABRN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)ccc2C)ncn1 ZINC000173430769 464259896 /nfs/dbraw/zinc/25/98/96/464259896.db2.gz RIBRISHHHANHSG-CQSZACIVSA-N 0 0 343.406 2.365 40 0 EEABRN COc1ncncc1NC(=O)NCc1ccc(Br)o1 ZINC000188451153 464283904 /nfs/dbraw/zinc/28/39/04/464283904.db2.gz SZOQLVBGQBCYEX-UHFFFAOYSA-N 0 0 327.138 2.162 40 0 EEABRN CC[C@@H]1CCCN(C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000180649961 464359090 /nfs/dbraw/zinc/35/90/90/464359090.db2.gz FPNFAKSAKSZTJK-HUUCEWRRSA-N 0 0 326.437 2.130 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000189061686 464424420 /nfs/dbraw/zinc/42/44/20/464424420.db2.gz JOHZSNFAYWBZHG-RCDICMHDSA-N 0 0 340.514 2.472 40 0 EEABRN CC[C@@H](C(=O)[O-])[NH+]1CCN(Cc2sccc2Br)CC1 ZINC000239782445 464443924 /nfs/dbraw/zinc/44/39/24/464443924.db2.gz COQWWPMTSYBWOF-NSHDSACASA-N 0 0 347.278 2.491 40 0 EEABRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC3=NO[C@@H](C)C3)C2)c1 ZINC000240707730 464448097 /nfs/dbraw/zinc/44/80/97/464448097.db2.gz HQDSSPYJDVMROJ-UONOGXRCSA-N 0 0 344.415 2.477 40 0 EEABRN COc1cc(C)cc(NC(=O)N2CCOC[C@H]2c2nc[nH]n2)c1C ZINC000241277620 464451706 /nfs/dbraw/zinc/45/17/06/464451706.db2.gz LHRBMLHOWRICTQ-ZDUSSCGKSA-N 0 0 331.376 2.036 40 0 EEABRN Cn1cnc(C(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1 ZINC000241287465 464451720 /nfs/dbraw/zinc/45/17/20/464451720.db2.gz LLPGEDJODNSCBW-HNNXBMFYSA-N 0 0 329.791 2.326 40 0 EEABRN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)C[C@H]1CCCCO1 ZINC000241588200 464453125 /nfs/dbraw/zinc/45/31/25/464453125.db2.gz PARKYLQLIFZZDJ-CQSZACIVSA-N 0 0 341.429 2.136 40 0 EEABRN C[S@](=O)CCCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000245289904 464469988 /nfs/dbraw/zinc/46/99/88/464469988.db2.gz FZIWIWLRVZTRAB-QLEMLULZSA-N 0 0 344.864 2.238 40 0 EEABRN Cn1cc(C[C@@H]2CC(=O)N(Cc3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000189309228 464474272 /nfs/dbraw/zinc/47/42/72/464474272.db2.gz RJXPETJLBYGXRU-GFCCVEGCSA-N 0 0 335.766 2.330 40 0 EEABRN Cn1ccnc1CN1CCOC[C@H]1c1nnc(-c2cccs2)o1 ZINC000285733453 464675052 /nfs/dbraw/zinc/67/50/52/464675052.db2.gz VIINJLWLFFNUKH-NSHDSACASA-N 0 0 331.401 2.105 40 0 EEABRN c1cncc(COC[C@H]2CCOC23CN(Cc2cccnc2)C3)c1 ZINC000247889656 464714115 /nfs/dbraw/zinc/71/41/15/464714115.db2.gz SRFYAVDQNXZPTB-GOSISDBHSA-N 0 0 325.412 2.284 40 0 EEABRN C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1CCOCc1ccccc1 ZINC000247965814 464717931 /nfs/dbraw/zinc/71/79/31/464717931.db2.gz GIVIQIUDIZGKFG-OAHLLOKOSA-N 0 0 342.443 2.178 40 0 EEABRN CCn1cc([C@H]2CN(CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780638 464719524 /nfs/dbraw/zinc/71/95/24/464719524.db2.gz SDAQJOQJGURPAD-QGZVFWFLSA-N 0 0 328.416 2.305 40 0 EEABRN Cc1ccc(CN2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100208 464729570 /nfs/dbraw/zinc/72/95/70/464729570.db2.gz NUEJYBTUKRXYIW-FUHWJXTLSA-N 0 0 346.452 2.234 40 0 EEABRN CC(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000248150398 464735489 /nfs/dbraw/zinc/73/54/89/464735489.db2.gz GSZCSBVLRFHRAP-CKEIUWERSA-N 0 0 338.398 2.184 40 0 EEABRN Cc1csc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1Br ZINC000190938866 464748991 /nfs/dbraw/zinc/74/89/91/464748991.db2.gz QYMLOXKJSUOJSF-SNVBAGLBSA-N 0 0 347.278 2.222 40 0 EEABRN CC(=O)NC[C@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000176456186 464779052 /nfs/dbraw/zinc/77/90/52/464779052.db2.gz WRPCXRMCHNIKNA-CYBMUJFWSA-N 0 0 339.386 2.065 40 0 EEABRN CO[C@H]1CC[C@H](NC(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000191157851 464786701 /nfs/dbraw/zinc/78/67/01/464786701.db2.gz HGRNPGHSEJMIPA-RDJZCZTQSA-N 0 0 328.416 2.282 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)[C@@H](C)C2 ZINC000248696018 464788800 /nfs/dbraw/zinc/78/88/00/464788800.db2.gz DDIRMMHIDDARNA-ILXVDBEPSA-N 0 0 332.444 2.410 40 0 EEABRN Cc1cccc(CNC(=O)CN2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191218235 464800935 /nfs/dbraw/zinc/80/09/35/464800935.db2.gz RNPNMTUCMZEVJT-KRWDZBQOSA-N 0 0 344.484 2.135 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@@H](C)c3cccs3)c2C)no1 ZINC000252498219 464970363 /nfs/dbraw/zinc/97/03/63/464970363.db2.gz QWZRBONTHQRCLV-QMMMGPOBSA-N 0 0 347.404 2.270 40 0 EEABRN CCOC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000252514716 464978346 /nfs/dbraw/zinc/97/83/46/464978346.db2.gz CXRFJJSEEOVFIG-KURKYZTESA-N 0 0 349.427 2.499 40 0 EEABRN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1[C@@H]1CCCC[C@@H]1O ZINC000252548611 464982718 /nfs/dbraw/zinc/98/27/18/464982718.db2.gz QGWSBBPVQZQHIV-XUJVJEKNSA-N 0 0 342.317 2.300 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1noc2c1CCCC2 ZINC000252572564 464983760 /nfs/dbraw/zinc/98/37/60/464983760.db2.gz ZJRNJLVAZZVSRI-JOCQHMNTSA-N 0 0 342.399 2.463 40 0 EEABRN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@](F)(CO)C1 ZINC000253393216 464998810 /nfs/dbraw/zinc/99/88/10/464998810.db2.gz YGZUDMOTTZVWNV-INMHGKMJSA-N 0 0 330.444 2.476 40 0 EEABRN CN(C)c1noc(CN2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396451 465000815 /nfs/dbraw/zinc/00/08/15/465000815.db2.gz FFARJPBDNLFYTF-VIFPVBQESA-N 0 0 344.341 2.257 40 0 EEABRN C[C@@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000276637117 465011133 /nfs/dbraw/zinc/01/11/33/465011133.db2.gz MZHSLJZNWNYQJJ-ZETCQYMHSA-N 0 0 330.772 2.335 40 0 EEABRN Cn1cc([C@H]2CN(Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426986 465011283 /nfs/dbraw/zinc/01/12/83/465011283.db2.gz UIUWSTINKBDAIV-HXUWFJFHSA-N 0 0 348.454 2.269 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2ccccn2)no1 ZINC000253477889 465016297 /nfs/dbraw/zinc/01/62/97/465016297.db2.gz IAQMXXOVLNQJEM-CQSZACIVSA-N 0 0 342.399 2.111 40 0 EEABRN Cn1ccc(C(=O)N2C[C@@H]3c4ncc(-c5ccsc5)n4C[C@@H]3C2)n1 ZINC000306138276 466493595 /nfs/dbraw/zinc/49/35/95/466493595.db2.gz RTYOXURHBSSCIG-STQMWFEESA-N 0 0 339.424 2.215 40 0 EEABRN Cc1ccc(S(=O)(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N(C)C)cc1 ZINC000408536708 466680298 /nfs/dbraw/zinc/68/02/98/466680298.db2.gz XMMCVRSZXUPATN-UHFFFAOYSA-N 0 0 346.412 2.444 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OCC ZINC000408585365 466681146 /nfs/dbraw/zinc/68/11/46/466681146.db2.gz FRHNANYWOCUASG-UHFFFAOYSA-N 0 0 330.406 2.340 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408587515 466681711 /nfs/dbraw/zinc/68/17/11/466681711.db2.gz DHLIEEPMLVQBKW-ZDUSSCGKSA-N 0 0 342.461 2.057 40 0 EEABRN CC(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594866 466681936 /nfs/dbraw/zinc/68/19/36/466681936.db2.gz POJWVYKENYUJLH-KRWDZBQOSA-N 0 0 346.452 2.101 40 0 EEABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1 ZINC000409141573 466685581 /nfs/dbraw/zinc/68/55/81/466685581.db2.gz VPKRWOSAOYTAHM-AWEZNQCLSA-N 0 0 338.363 2.221 40 0 EEABRN COc1cc(C)ccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000390835458 467415285 /nfs/dbraw/zinc/41/52/85/467415285.db2.gz OEKBQEHTQWYXGQ-UHFFFAOYSA-N 0 0 334.464 2.151 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@H](OCc1csc(C)n1)CS2 ZINC000575403499 468141503 /nfs/dbraw/zinc/14/15/03/468141503.db2.gz MDKVTEMIRZNGAC-LBPRGKRZSA-N 0 0 344.527 2.418 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccnc1 ZINC000575405177 468141678 /nfs/dbraw/zinc/14/16/78/468141678.db2.gz WTAABKYOFFTNQL-OIISXLGYSA-N 0 0 330.428 2.262 40 0 EEABRN Cc1ccncc1CO[C@H]1CCOC2(CN(C(=O)CC3CC3)C2)C1 ZINC000575406225 468142412 /nfs/dbraw/zinc/14/24/12/468142412.db2.gz YGAAKLGZMOWZDN-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN CCN(C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421371 468143928 /nfs/dbraw/zinc/14/39/28/468143928.db2.gz PLAZFOGHFMPBPF-MSOLQXFVSA-N 0 0 345.464 2.256 40 0 EEABRN COc1nc(CNC(=O)Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000575603999 468145916 /nfs/dbraw/zinc/14/59/16/468145916.db2.gz NYURTTOQFFIHJO-UHFFFAOYSA-N 0 0 342.403 2.192 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC[C@H](c1cccs1)n1cccn1 ZINC000575605052 468146002 /nfs/dbraw/zinc/14/60/02/468146002.db2.gz LAZOVMVDSPOBBA-CYBMUJFWSA-N 0 0 329.429 2.314 40 0 EEABRN Cc1cc(C(=O)N2C[C@@]3(CCN(C)C3=O)CC(F)(F)C2)c(C)o1 ZINC000585093162 468963279 /nfs/dbraw/zinc/96/32/79/468963279.db2.gz GGVZPWNKTVKCDN-OAHLLOKOSA-N 0 0 326.343 2.226 40 0 EEABRN Cc1ccc(OC[C@@H]2CCn3nccc3CN2Cc2cn[nH]c2)cn1 ZINC000585098365 468967484 /nfs/dbraw/zinc/96/74/84/468967484.db2.gz WXQKXCJGDJTYEO-KRWDZBQOSA-N 0 0 338.415 2.163 40 0 EEABRN COC[C@@H]1CCn2nccc2CN1C(=O)c1ccc2ncccc2c1 ZINC000585098326 468967543 /nfs/dbraw/zinc/96/75/43/468967543.db2.gz WLCCSSBTEWCRPE-KRWDZBQOSA-N 0 0 336.395 2.492 40 0 EEABRN O=C(N[C@@H]1CCOC2(CCN(C(=O)c3cccs3)CC2)C1)C1CC1 ZINC000585102392 468970682 /nfs/dbraw/zinc/97/06/82/468970682.db2.gz FVGMMIQMSMTAJO-CQSZACIVSA-N 0 0 348.468 2.428 40 0 EEABRN O=C(c1csnn1)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 ZINC000585110421 468973326 /nfs/dbraw/zinc/97/33/26/468973326.db2.gz SHKNMHCSNJLCEI-UHFFFAOYSA-N 0 0 343.387 2.308 40 0 EEABRN Cc1ccccc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 ZINC000585109676 468973979 /nfs/dbraw/zinc/97/39/79/468973979.db2.gz ZIPPHDMEFSAMTE-XYJFISCASA-N 0 0 342.439 2.141 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@@H]12 ZINC000585109247 468974100 /nfs/dbraw/zinc/97/41/00/468974100.db2.gz FFWWGSHTYNWXQS-KFWWJZLASA-N 0 0 334.441 2.036 40 0 EEABRN COc1ccc(C[C@@H]2CCCCN2c2ncnc3c2nnn3C)cc1 ZINC000585142450 468992097 /nfs/dbraw/zinc/99/20/97/468992097.db2.gz WWTUPKBWFSRQQF-AWEZNQCLSA-N 0 0 338.415 2.369 40 0 EEABRN O=C(c1ccc(F)cc1)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585269563 468997111 /nfs/dbraw/zinc/99/71/11/468997111.db2.gz ZENSKZXXBJFIRP-IBGZPJMESA-N 0 0 345.370 2.108 40 0 EEABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2ncccn2)C1 ZINC000585269398 468997913 /nfs/dbraw/zinc/99/79/13/468997913.db2.gz RZIWVEGDGUIZKM-GOSISDBHSA-N 0 0 327.384 2.177 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCCN(C(=O)CCc3ccno3)C2)cc1 ZINC000585276328 469000338 /nfs/dbraw/zinc/00/03/38/469000338.db2.gz IFLMXMVEGONQOJ-IBGZPJMESA-N 0 0 344.411 2.348 40 0 EEABRN O=C(c1ccccc1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585276184 469000346 /nfs/dbraw/zinc/00/03/46/469000346.db2.gz MTCWBCFQWBVSRR-LJQANCHMSA-N 0 0 329.371 2.272 40 0 EEABRN CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585275762 469000420 /nfs/dbraw/zinc/00/04/20/469000420.db2.gz FCMCYGZYJFEGQA-IBGZPJMESA-N 0 0 341.411 2.404 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2cccn2C)C1 ZINC000585276353 469000618 /nfs/dbraw/zinc/00/06/18/469000618.db2.gz IRSQKWMNICLERI-LJQANCHMSA-N 0 0 328.412 2.380 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCCN(C(=O)Cc3ccncc3)C2)c1 ZINC000585275887 469000879 /nfs/dbraw/zinc/00/08/79/469000879.db2.gz GGPSGQJWQMMDFD-FQEVSTJZSA-N 0 0 340.423 2.365 40 0 EEABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CCn2ccnc2)cc1 ZINC000585278505 469003201 /nfs/dbraw/zinc/00/32/01/469003201.db2.gz TVJUEQOZNXMLNL-ROUUACIJSA-N 0 0 327.428 2.176 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2ccnc2C)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279351 469005793 /nfs/dbraw/zinc/00/57/93/469005793.db2.gz KLHDAWKFMWVGMB-AEFFLSMTSA-N 0 0 345.418 2.437 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)CCc2ccno2)C[C@@H]1O ZINC000585279395 469006067 /nfs/dbraw/zinc/00/60/67/469006067.db2.gz LJITWTMEPNVACY-AEFFLSMTSA-N 0 0 328.412 2.368 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)c1cscc1C(F)(F)F ZINC000621370339 470038471 /nfs/dbraw/zinc/03/84/71/470038471.db2.gz HKKMDMVIAXOIHF-UHFFFAOYSA-N 0 0 330.335 2.277 40 0 EEABRN COC(=O)CN1CCO[C@@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495243 485531249 /nfs/dbraw/zinc/53/12/49/485531249.db2.gz IDVHQGIIZFKGNC-LLVKDONJSA-N 0 0 334.199 2.246 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccc(F)cn1 ZINC000183935462 534328047 /nfs/dbraw/zinc/32/80/47/534328047.db2.gz FLWBWYJUPJMWKP-OAHLLOKOSA-N 0 0 343.358 2.070 40 0 EEABRN CC(C)[C@@H](Sc1nncn1-c1ccccc1)C(=O)N1CCOCC1 ZINC000042941161 519801482 /nfs/dbraw/zinc/80/14/82/519801482.db2.gz CSEPFKZPLNJSRE-OAHLLOKOSA-N 0 0 346.456 2.243 40 0 EEABRN Cc1cccc(C(=O)NCC(=O)N(C)Cc2ccncc2)c1Cl ZINC000096484640 524189757 /nfs/dbraw/zinc/18/97/57/524189757.db2.gz KQCMJHBCHOTATK-UHFFFAOYSA-N 0 0 331.803 2.432 40 0 EEABRN CC(C)CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941223 528055737 /nfs/dbraw/zinc/05/57/37/528055737.db2.gz MTCIVVHCKGACRR-NSHDSACASA-N 0 0 332.853 2.267 40 0 EEABRN CC1(C)[C@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@@H]2CCO[C@H]21 ZINC000230128120 535092929 /nfs/dbraw/zinc/09/29/29/535092929.db2.gz VCOWYBYMEROAQN-FVQBIDKESA-N 0 0 345.374 2.436 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)ccn1 ZINC000257211577 536145460 /nfs/dbraw/zinc/14/54/60/536145460.db2.gz BZKCQQCIRSMFQN-CQSZACIVSA-N 0 0 347.850 2.404 40 0 EEABRN COCc1ccc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)cc1 ZINC000257230502 536750060 /nfs/dbraw/zinc/75/00/60/536750060.db2.gz GCOUWQVEKCHEFN-SFHVURJKSA-N 0 0 341.411 2.097 40 0 EEABRN CCn1cc(Cn2cc3[nH]c(N4CCCCCC4)ncc-3c2=O)cn1 ZINC000041122981 1352494948 /nfs/dbraw/zinc/49/49/48/1352494948.db2.gz OZEQHQNNGBKLLX-UHFFFAOYSA-N 0 0 340.431 2.229 40 0 EEABRN COc1cc(C(=O)C(=O)N2CCOCC2)c2c(c1)C(C)=CC(C)(C)N2 ZINC001740816387 1406109114 /nfs/dbraw/zinc/10/91/14/1406109114.db2.gz BSTIHPJDOJWPAZ-UHFFFAOYSA-N 0 0 344.411 2.344 40 0 EEABRN CNC(=O)[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CCO1 ZINC000183503330 529927742 /nfs/dbraw/zinc/92/77/42/529927742.db2.gz ZKMJXSXTLQLWQV-HUUCEWRRSA-N 0 0 338.835 2.053 40 0 EEABRN COCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 ZINC000004161438 210134985 /nfs/dbraw/zinc/13/49/85/210134985.db2.gz GWDBLDHAIJPRBX-UHFFFAOYSA-N 0 0 338.433 2.191 40 0 EEABRN Cn1nncc1S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000330124500 539787943 /nfs/dbraw/zinc/78/79/43/539787943.db2.gz CKNGYYXWNJSDPT-ZDUSSCGKSA-N 0 0 342.371 2.009 40 0 EEABRN Cn1ccc(C(=O)N2CCc3cc(Br)ccc3C2)cc1=O ZINC000191601092 282704628 /nfs/dbraw/zinc/70/46/28/282704628.db2.gz XMMUFGZIKAMBNA-UHFFFAOYSA-N 0 0 347.212 2.346 40 0 EEABRN O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(Cn2ccnc2)o1 ZINC000019335019 202004368 /nfs/dbraw/zinc/00/43/68/202004368.db2.gz HVCDPVSMWXOZLR-UHFFFAOYSA-N 0 0 348.366 2.417 40 0 EEABRN O=C(c1ccno1)N1CC[C@@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 ZINC000019406210 202007361 /nfs/dbraw/zinc/00/73/61/202007361.db2.gz TZJWZTYCGDDCCL-SNVBAGLBSA-N 0 0 342.380 2.116 40 0 EEABRN CCCn1cc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)c(C)n1 ZINC000019526048 202010016 /nfs/dbraw/zinc/01/00/16/202010016.db2.gz OWPWYJXMLVLMOG-UHFFFAOYSA-N 0 0 340.387 2.285 40 0 EEABRN CCn1cc(CN(CCCN2CCOCC2)Cc2cccnc2)cn1 ZINC000019524888 202010534 /nfs/dbraw/zinc/01/05/34/202010534.db2.gz OOIOOLDKIBJJEC-UHFFFAOYSA-N 0 0 343.475 2.023 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccnc2ncnn21 ZINC000019569583 202010893 /nfs/dbraw/zinc/01/08/93/202010893.db2.gz ARWRGNHUSXLVMU-CQSZACIVSA-N 0 0 337.383 2.039 40 0 EEABRN Cc1cc(=O)cc([C@@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)[nH]1 ZINC000019570208 202011903 /nfs/dbraw/zinc/01/19/03/202011903.db2.gz FEFUKZLLWHXXEO-CYBMUJFWSA-N 0 0 326.400 2.304 40 0 EEABRN CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930702 202026297 /nfs/dbraw/zinc/02/62/97/202026297.db2.gz NEYOBNBQPXKHBQ-UHFFFAOYSA-N 0 0 338.473 2.222 40 0 EEABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccn2)c1 ZINC000020493491 202046835 /nfs/dbraw/zinc/04/68/35/202046835.db2.gz UNURFGYVLHNHAN-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000022606544 202087382 /nfs/dbraw/zinc/08/73/82/202087382.db2.gz SKACCWDLEBWTEE-UHFFFAOYSA-N 0 0 334.397 2.309 40 0 EEABRN O=C(NCCCOCc1ccco1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000040079721 202167615 /nfs/dbraw/zinc/16/76/15/202167615.db2.gz MFTWKPWCSAQYTD-HNNXBMFYSA-N 0 0 342.395 2.356 40 0 EEABRN C[C@@H](NC(=O)c1ccccc1)C(=O)/N=c1\sc2ccccc2n1C ZINC000030783129 202198921 /nfs/dbraw/zinc/19/89/21/202198921.db2.gz MIOHSDUPXSWLLH-LDTKGLONSA-N 0 0 339.420 2.486 40 0 EEABRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000035950077 202310115 /nfs/dbraw/zinc/31/01/15/202310115.db2.gz SCVCFJFULUHDPC-UHFFFAOYSA-N 0 0 349.408 2.454 40 0 EEABRN CCCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000071195683 202342665 /nfs/dbraw/zinc/34/26/65/202342665.db2.gz VKTQGVAKBHHFNK-CQSZACIVSA-N 0 0 334.445 2.364 40 0 EEABRN CC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000072584919 202365371 /nfs/dbraw/zinc/36/53/71/202365371.db2.gz FJFMSFSKQDQISX-ZDUSSCGKSA-N 0 0 345.896 2.275 40 0 EEABRN CN1CC[C@@H](C(=O)NCCCO[C@@H]2CCCc3ccccc32)CC1=O ZINC000072673812 202367749 /nfs/dbraw/zinc/36/77/49/202367749.db2.gz YJKWQRAOMOUXRA-SJLPKXTDSA-N 0 0 344.455 2.455 40 0 EEABRN CC(C)c1nccn1CCC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000072844879 202368455 /nfs/dbraw/zinc/36/84/55/202368455.db2.gz OYBJAQNWFTWVAY-UHFFFAOYSA-N 0 0 343.431 2.267 40 0 EEABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2OC)C1 ZINC000073635751 202369384 /nfs/dbraw/zinc/36/93/84/202369384.db2.gz WSAIKXRRLSNXEK-VIFPVBQESA-N 0 0 342.189 2.374 40 0 EEABRN CCn1nc(C)c(CCC(=O)N(C)Cc2c(C)nn(C)c2C)c1C ZINC000072240464 202357649 /nfs/dbraw/zinc/35/76/49/202357649.db2.gz HQAGPJKBJZAGSD-UHFFFAOYSA-N 0 0 331.464 2.461 40 0 EEABRN Cc1cc(C(=O)NCCCn2ccnc2)nc(N2CCCCCC2)n1 ZINC000072241504 202358003 /nfs/dbraw/zinc/35/80/03/202358003.db2.gz NEJMHGXUQMQBOH-UHFFFAOYSA-N 0 0 342.447 2.182 40 0 EEABRN Cc1cnc(CCNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)s1 ZINC000074617809 202373055 /nfs/dbraw/zinc/37/30/55/202373055.db2.gz VTSRHMJDWUFHIE-CYBMUJFWSA-N 0 0 335.433 2.191 40 0 EEABRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCS(=O)(=O)CC1 ZINC000074990287 202375684 /nfs/dbraw/zinc/37/56/84/202375684.db2.gz PLVOCGNWHUJHNF-JTQLQIEISA-N 0 0 341.820 2.181 40 0 EEABRN CONC(=O)C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000075156694 202376796 /nfs/dbraw/zinc/37/67/96/202376796.db2.gz GXUCVBVATCMTRT-UHFFFAOYSA-N 0 0 331.319 2.429 40 0 EEABRN CSCC[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000075157580 202377437 /nfs/dbraw/zinc/37/74/37/202377437.db2.gz GSZWMARTFAPCJK-INIZCTEOSA-N 0 0 343.514 2.348 40 0 EEABRN O=C(Nc1ccc(Br)cc1F)[C@@H]1CSCCC(=O)N1 ZINC000075171244 202377802 /nfs/dbraw/zinc/37/78/02/202377802.db2.gz KRPDFKFXLOSVSG-JTQLQIEISA-N 0 0 347.209 2.148 40 0 EEABRN COc1cccc2cc([C@H](C)NC(=O)N(C)Cc3ncnn3C)oc21 ZINC000073603701 202370343 /nfs/dbraw/zinc/37/03/43/202370343.db2.gz ARQNNZJJUHOTLG-NSHDSACASA-N 0 0 343.387 2.473 40 0 EEABRN CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000077735326 202393726 /nfs/dbraw/zinc/39/37/26/202393726.db2.gz DLYDUETYYDHTJN-MNOVXSKESA-N 0 0 329.404 2.269 40 0 EEABRN O=C(c1ccc(Sc2ccccn2)cc1)N1CCCS1(=O)=O ZINC000078556504 202397367 /nfs/dbraw/zinc/39/73/67/202397367.db2.gz KHNWRVYJYGRLAR-UHFFFAOYSA-N 0 0 334.422 2.409 40 0 EEABRN COc1ccc(Cc2noc(-c3cccc(OCC(N)=O)c3)n2)cc1 ZINC000078774448 202399739 /nfs/dbraw/zinc/39/97/39/202399739.db2.gz VPTCSQXOAFKAKA-UHFFFAOYSA-N 0 0 339.351 2.200 40 0 EEABRN C[C@H](c1nc(-c2cccc(CN3CCOCC3)c2)no1)n1ccnc1 ZINC000078774625 202399983 /nfs/dbraw/zinc/39/99/83/202399983.db2.gz KLWYZSKWARCBAO-CQSZACIVSA-N 0 0 339.399 2.375 40 0 EEABRN CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076499891 202389078 /nfs/dbraw/zinc/38/90/78/202389078.db2.gz USUGJQRJXGAEQU-CHWSQXEVSA-N 0 0 330.837 2.163 40 0 EEABRN CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076499893 202389144 /nfs/dbraw/zinc/38/91/44/202389144.db2.gz USUGJQRJXGAEQU-QWHCGFSZSA-N 0 0 330.837 2.163 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCc1ccccc1Cl ZINC000077350231 202391579 /nfs/dbraw/zinc/39/15/79/202391579.db2.gz DTCZWLQNDDDYAW-VXGBXAGGSA-N 0 0 344.864 2.100 40 0 EEABRN CN(CC(F)(F)F)C(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O ZINC000078418902 202392247 /nfs/dbraw/zinc/39/22/47/202392247.db2.gz RPUSVUGCBLPCDY-CYBMUJFWSA-N 0 0 344.333 2.461 40 0 EEABRN CCN(C[C@@H]1CCC[N@H+](CC(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC000079413803 202434827 /nfs/dbraw/zinc/43/48/27/202434827.db2.gz RPRTXSCVTSGCJC-MRXNPFEDSA-N 0 0 334.416 2.442 40 0 EEABRN Cc1noc([C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C(C)C)n1 ZINC000079049980 202420528 /nfs/dbraw/zinc/42/05/28/202420528.db2.gz KCRQZKRZHWAFOR-SMDDNHRTSA-N 0 0 330.388 2.010 40 0 EEABRN COCCNC(=O)c1ccc(N2CC[C@H](Nc3ccccc3)C2)nc1 ZINC000079089654 202425243 /nfs/dbraw/zinc/42/52/43/202425243.db2.gz HYJDSZNXDJGGHL-KRWDZBQOSA-N 0 0 340.427 2.149 40 0 EEABRN O=S(=O)(c1c(Cl)cccc1Br)N1CCCO1 ZINC000225747236 201037514 /nfs/dbraw/zinc/03/75/14/201037514.db2.gz ALCDGZZTLANEAT-UHFFFAOYSA-N 0 0 326.599 2.429 40 0 EEABRN CC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000273956151 201264490 /nfs/dbraw/zinc/26/44/90/201264490.db2.gz HZOAUULKIXTZOD-ZDUSSCGKSA-N 0 0 335.404 2.225 40 0 EEABRN O=C(CCCn1cccc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000278174698 201309132 /nfs/dbraw/zinc/30/91/32/201309132.db2.gz AZVCFWLWVRFTJG-UHFFFAOYSA-N 0 0 339.439 2.182 40 0 EEABRN CC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cc(F)cc(Br)c1 ZINC000331121932 201364298 /nfs/dbraw/zinc/36/42/98/201364298.db2.gz MMEBKIHSPGDHDI-VXGBXAGGSA-N 0 0 343.196 2.434 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000158591057 201405383 /nfs/dbraw/zinc/40/53/83/201405383.db2.gz AWYOKCDKYRIKIL-WFASDCNBSA-N 0 0 336.775 2.103 40 0 EEABRN O=C(CNc1c(F)cccc1Cl)N1CCC2(CC1)OCCO2 ZINC000193105610 240023395 /nfs/dbraw/zinc/02/33/95/240023395.db2.gz ZYRQKPNXQJRBCM-UHFFFAOYSA-N 0 0 328.771 2.257 40 0 EEABRN CCS(=O)(=O)c1ccc(NC2CCN(c3ncccn3)CC2)cc1 ZINC000195576101 241022932 /nfs/dbraw/zinc/02/29/32/241022932.db2.gz LDJPFJXRMKELIU-UHFFFAOYSA-N 0 0 346.456 2.351 40 0 EEABRN CCCC(=O)N[C@H]1CCCN(c2ccc(S(=O)(=O)CC)cc2)C1 ZINC000195576152 241023200 /nfs/dbraw/zinc/02/32/00/241023200.db2.gz XWXBLJJYMDMTNW-AWEZNQCLSA-N 0 0 338.473 2.365 40 0 EEABRN CSc1ncc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cn1 ZINC000218763058 241343830 /nfs/dbraw/zinc/34/38/30/241343830.db2.gz MCRPAAIEQUFISJ-OAHLLOKOSA-N 0 0 342.424 2.465 40 0 EEABRN CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000222800418 241562123 /nfs/dbraw/zinc/56/21/23/241562123.db2.gz KKFLZXRRKNPXAU-OAHLLOKOSA-N 0 0 336.388 2.397 40 0 EEABRN C[C@H](Sc1nc2cncnc2[nH]1)C(=O)NCCc1cccs1 ZINC000225444573 241866061 /nfs/dbraw/zinc/86/60/61/241866061.db2.gz BLSYWOWJVBSPTG-VIFPVBQESA-N 0 0 333.442 2.254 40 0 EEABRN O=C(c1ccno1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225728309 242008030 /nfs/dbraw/zinc/00/80/30/242008030.db2.gz JQTCWNXQZATGLD-SNVBAGLBSA-N 0 0 327.262 2.382 40 0 EEABRN Cc1cc(Cl)nc(COC(=O)COc2nn(C)c3ccccc23)n1 ZINC000226755368 242114609 /nfs/dbraw/zinc/11/46/09/242114609.db2.gz XQQVOLAPFPHZRI-UHFFFAOYSA-N 0 0 346.774 2.447 40 0 EEABRN CCn1nc(C)cc1CNC(=O)[C@H](C)Oc1nn(C)c2ccccc12 ZINC000226755360 242115278 /nfs/dbraw/zinc/11/52/78/242115278.db2.gz MIRUREZBUWGOBB-ZDUSSCGKSA-N 0 0 341.415 2.182 40 0 EEABRN C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCCc1ccccn1 ZINC000227150221 242121708 /nfs/dbraw/zinc/12/17/08/242121708.db2.gz KJCQADXWWWBSFZ-HNNXBMFYSA-N 0 0 336.395 2.394 40 0 EEABRN CC(C)n1cc(NC(=O)COc2cccc3c2NC(=O)CC3)cn1 ZINC000227158797 242122755 /nfs/dbraw/zinc/12/27/55/242122755.db2.gz TXROENCXCMSDLL-UHFFFAOYSA-N 0 0 328.372 2.366 40 0 EEABRN Cc1csc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)n1 ZINC000247966871 243495857 /nfs/dbraw/zinc/49/58/57/243495857.db2.gz QTOGYBGTUGCOOW-OAHLLOKOSA-N 0 0 345.472 2.217 40 0 EEABRN Cn1ccnc1C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000253430927 243981799 /nfs/dbraw/zinc/98/17/99/243981799.db2.gz OUVDPXSKLJTTDU-GFCCVEGCSA-N 0 0 325.459 2.125 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)c2cnc(C)nc2C)CCN1C ZINC000257204901 244129683 /nfs/dbraw/zinc/12/96/83/244129683.db2.gz AWUMPJQGKAZUOL-KRWDZBQOSA-N 0 0 340.427 2.231 40 0 EEABRN C[C@]1(c2ncc(CNC(=O)CCCn3ccnc3)cn2)CCCCO1 ZINC000257202568 244123558 /nfs/dbraw/zinc/12/35/58/244123558.db2.gz AMKJJWBWWDIGHL-GOSISDBHSA-N 0 0 343.431 2.185 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257214443 244164367 /nfs/dbraw/zinc/16/43/67/244164367.db2.gz CMAGRUUFJAOIPO-INIZCTEOSA-N 0 0 349.438 2.365 40 0 EEABRN CCOc1ncccc1C(=O)N1CCC[C@@H]1c1cncc(NC)n1 ZINC000257217102 244169768 /nfs/dbraw/zinc/16/97/68/244169768.db2.gz CXLROOVVXNLVJB-CQSZACIVSA-N 0 0 327.388 2.289 40 0 EEABRN CCCn1nccc1-c1cc([C@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257222330 244188326 /nfs/dbraw/zinc/18/83/26/244188326.db2.gz DSWLBAXISNOYKD-HNNXBMFYSA-N 0 0 348.472 2.494 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)COc3ccccc3Cl)CCO2)n1 ZINC000257226644 244202899 /nfs/dbraw/zinc/20/28/99/244202899.db2.gz FLNQSTXGBMCZGP-CQSZACIVSA-N 0 0 335.791 2.350 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1nccnc1Nc1cccc(C)n1 ZINC000072384769 203212658 /nfs/dbraw/zinc/21/26/58/203212658.db2.gz VUPDWLWKGHECMZ-ZDUSSCGKSA-N 0 0 327.388 2.234 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072383879 203210522 /nfs/dbraw/zinc/21/05/22/203210522.db2.gz HTDBSSLIOZHJFQ-CYBMUJFWSA-N 0 0 328.372 2.016 40 0 EEABRN Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@@H](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000257243783 244251355 /nfs/dbraw/zinc/25/13/55/244251355.db2.gz IINPJCAMLJOAKA-BRWVUGGUSA-N 0 0 345.468 2.310 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380362 203210806 /nfs/dbraw/zinc/21/08/06/203210806.db2.gz UWNTWJSEWFMNPP-HNNXBMFYSA-N 0 0 330.363 2.015 40 0 EEABRN Cc1nccc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000257245340 244255498 /nfs/dbraw/zinc/25/54/98/244255498.db2.gz IPAMXAYMVLNMPP-ZDUSSCGKSA-N 0 0 325.416 2.407 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 ZINC000257234321 244224530 /nfs/dbraw/zinc/22/45/30/244224530.db2.gz GSZGXUPDOMQXTE-HNNXBMFYSA-N 0 0 345.447 2.039 40 0 EEABRN CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccco1 ZINC000072324863 203200768 /nfs/dbraw/zinc/20/07/68/203200768.db2.gz JIBVZXSYCWVPRS-AWEZNQCLSA-N 0 0 329.400 2.314 40 0 EEABRN Cc1cccc2nc(C(=O)N3CCC[C@@H](c4ccnc(=O)[nH]4)C3)cn21 ZINC000257237111 244231759 /nfs/dbraw/zinc/23/17/59/244231759.db2.gz HFEZBDNQMSFOLL-CYBMUJFWSA-N 0 0 337.383 2.158 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(N2CC[C@H](O)[C@H](C)C2)c1C ZINC000072337418 203201890 /nfs/dbraw/zinc/20/18/90/203201890.db2.gz NJYWONQHPNBEHM-PXAZEXFGSA-N 0 0 344.459 2.447 40 0 EEABRN O=C(c1ccc2c(c1)CCC2)N1CCOC[C@H]1CCc1cnccn1 ZINC000257238748 244234374 /nfs/dbraw/zinc/23/43/74/244234374.db2.gz HMJJXKZADRUISM-LJQANCHMSA-N 0 0 337.423 2.439 40 0 EEABRN Cn1cncc1-c1cncc(CC2CCN(c3cnccn3)CC2)n1 ZINC000257238578 244235107 /nfs/dbraw/zinc/23/51/07/244235107.db2.gz HLRCABXCAMJBRH-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN COCC(=O)N1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 ZINC000072355030 203205179 /nfs/dbraw/zinc/20/51/79/203205179.db2.gz IIJDBRKWUUZKLO-UHFFFAOYSA-N 0 0 341.415 2.043 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2ccccc2)C1 ZINC000072365852 203207827 /nfs/dbraw/zinc/20/78/27/203207827.db2.gz ZHTWJVJJRSFGES-CQSZACIVSA-N 0 0 331.441 2.358 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cccc(CO)c2)C1 ZINC000072365866 203208298 /nfs/dbraw/zinc/20/82/98/203208298.db2.gz AHBOUMQNWSAHID-HNNXBMFYSA-N 0 0 325.412 2.437 40 0 EEABRN Cc1cccnc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257254215 244276326 /nfs/dbraw/zinc/27/63/26/244276326.db2.gz KCFNSJPITGJAES-VQIMIIECSA-N 0 0 326.396 2.435 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3cccc(F)c3)no2)[C@H]1O ZINC000257272294 244379755 /nfs/dbraw/zinc/37/97/55/244379755.db2.gz NBVSEHAPXIGMFH-XNRPHZJLSA-N 0 0 334.347 2.139 40 0 EEABRN COCC(=O)N1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257263732 244356430 /nfs/dbraw/zinc/35/64/30/244356430.db2.gz LREPYIZQXWDLNE-GFCCVEGCSA-N 0 0 347.444 2.256 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257273428 244386179 /nfs/dbraw/zinc/38/61/79/244386179.db2.gz NGNPUKJBIKHDBS-ZDUSSCGKSA-N 0 0 346.387 2.124 40 0 EEABRN O=C(Cn1cnc2ccccc21)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257307749 244481469 /nfs/dbraw/zinc/48/14/69/244481469.db2.gz TTXWGHVDTZLVQT-HNNXBMFYSA-N 0 0 335.411 2.217 40 0 EEABRN O=C(CCOc1ccccc1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257299612 244459464 /nfs/dbraw/zinc/45/94/64/244459464.db2.gz RQUAPOIVSFHTJS-OAHLLOKOSA-N 0 0 341.411 2.456 40 0 EEABRN CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000019855583 212076447 /nfs/dbraw/zinc/07/64/47/212076447.db2.gz WUKFURPVFBPUPU-UHFFFAOYSA-N 0 0 336.388 2.075 40 0 EEABRN CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccsc1 ZINC000257319869 244516509 /nfs/dbraw/zinc/51/65/09/244516509.db2.gz VUJITQLDDXPNGY-QGZVFWFLSA-N 0 0 349.431 2.386 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)CCCO ZINC000133425067 203698759 /nfs/dbraw/zinc/69/87/59/203698759.db2.gz HUGFJIQVWYTBRQ-JTQLQIEISA-N 0 0 336.251 2.197 40 0 EEABRN Cn1nccc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109263 203837262 /nfs/dbraw/zinc/83/72/62/203837262.db2.gz ULCPYOVXARGQCH-APWZRJJASA-N 0 0 340.427 2.274 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)Cc1cccs1 ZINC000096045375 203803251 /nfs/dbraw/zinc/80/32/51/203803251.db2.gz IGCWPMYBOZQFPR-HNNXBMFYSA-N 0 0 346.456 2.065 40 0 EEABRN COc1ncccc1CN1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065970 203820708 /nfs/dbraw/zinc/82/07/08/203820708.db2.gz KQUJIWTZFAGBDD-NUJGCVRESA-N 0 0 341.411 2.296 40 0 EEABRN Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)C(C)(C)O)CC2 ZINC000096254773 203883661 /nfs/dbraw/zinc/88/36/61/203883661.db2.gz ROVGASIPGQTOQV-UHFFFAOYSA-N 0 0 343.402 2.289 40 0 EEABRN CCN1C(=O)[C@H]2[C@H](c3ccccc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000101189055 204002661 /nfs/dbraw/zinc/00/26/61/204002661.db2.gz FAALHDIIFHNNBL-BZSNNMDCSA-N 0 0 335.407 2.122 40 0 EEABRN O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1 ZINC000046167856 204335701 /nfs/dbraw/zinc/33/57/01/204335701.db2.gz VCRVKHWJRDXEFR-UHFFFAOYSA-N 0 0 339.842 2.219 40 0 EEABRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000047324880 204336687 /nfs/dbraw/zinc/33/66/87/204336687.db2.gz VSXYLEWLYRKWQA-LLVKDONJSA-N 0 0 345.852 2.133 40 0 EEABRN Cn1cc(N2CCC[C@H](N3CCO[C@H](c4cccs4)C3)C2=O)cn1 ZINC000157698218 206151825 /nfs/dbraw/zinc/15/18/25/206151825.db2.gz KCUYFKCBCYFJIG-GJZGRUSLSA-N 0 0 346.456 2.051 40 0 EEABRN O=C(NCC1CC1)C1(NCc2nc(-c3ccncc3)no2)CCCC1 ZINC000095409824 218346833 /nfs/dbraw/zinc/34/68/33/218346833.db2.gz GLDQQVPIMQQMKG-UHFFFAOYSA-N 0 0 341.415 2.060 40 0 EEABRN Cc1cc(C)c(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)[nH]1 ZINC000095414676 218353127 /nfs/dbraw/zinc/35/31/27/218353127.db2.gz QRWLWNBIVHSZGE-UHFFFAOYSA-N 0 0 326.400 2.061 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)NCCc1csc2ccccc12 ZINC000095436864 218379742 /nfs/dbraw/zinc/37/97/42/218379742.db2.gz PHAJGZXRHOUUNC-CQSZACIVSA-N 0 0 331.441 2.364 40 0 EEABRN C[S@@](=O)c1ncn(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000095438971 218382436 /nfs/dbraw/zinc/38/24/36/218382436.db2.gz DGORCYZEGJMIGW-QHCPKHFHSA-N 0 0 346.334 2.063 40 0 EEABRN CC[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)[C@H]1CCCO1 ZINC000095440351 218384873 /nfs/dbraw/zinc/38/48/73/218384873.db2.gz YCQGADLDBCLQDZ-GHMZBOCLSA-N 0 0 334.342 2.196 40 0 EEABRN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(C)c2=O)cc1C ZINC000006679501 210678167 /nfs/dbraw/zinc/67/81/67/210678167.db2.gz RERAXFYIGAYKEJ-UHFFFAOYSA-N 0 0 343.408 2.017 40 0 EEABRN COc1ccccc1N1CC[C@H](CNC(=O)N(C)C[C@H]2CCOC2)C1 ZINC000176066048 207187842 /nfs/dbraw/zinc/18/78/42/207187842.db2.gz UKPJGEUXTWVISF-HZPDHXFCSA-N 0 0 347.459 2.199 40 0 EEABRN C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1cccc(Br)c1 ZINC000096415206 218774345 /nfs/dbraw/zinc/77/43/45/218774345.db2.gz YLPFKOHVPRGYNG-CABZTGNLSA-N 0 0 340.221 2.040 40 0 EEABRN C[C@H]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@H]1C ZINC000178715030 207523390 /nfs/dbraw/zinc/52/33/90/207523390.db2.gz CMXPRWDHORBHNW-UWVGGRQHSA-N 0 0 331.342 2.347 40 0 EEABRN CC(C)(Cc1cccc(Br)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000096423927 218791674 /nfs/dbraw/zinc/79/16/74/218791674.db2.gz BBKSUHYMTVWDAU-LBPRGKRZSA-N 0 0 339.233 2.165 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)c1C ZINC000096424125 218791949 /nfs/dbraw/zinc/79/19/49/218791949.db2.gz HHHDEJDPYMBFGU-CQSZACIVSA-N 0 0 349.456 2.049 40 0 EEABRN CC[C@@H]1COCCN1C(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000096434508 218811989 /nfs/dbraw/zinc/81/19/89/218811989.db2.gz CCDUDNYOPKGPFM-CYBMUJFWSA-N 0 0 330.388 2.117 40 0 EEABRN Cc1ncc(CNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)s1 ZINC000096455024 218838876 /nfs/dbraw/zinc/83/88/76/218838876.db2.gz FBLQBVMCGLGJMG-SECBINFHSA-N 0 0 336.383 2.230 40 0 EEABRN CCN1C(=O)[C@@H]2C(=O)N(C)C(c3ccccc3)(c3ccccc3)[C@H]2C1=O ZINC000101628427 285173957 /nfs/dbraw/zinc/17/39/57/285173957.db2.gz XIWFSNBYZJUVSZ-DLBZAZTESA-N 0 0 348.402 2.023 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1C ZINC000248011497 160335554 /nfs/dbraw/zinc/33/55/54/160335554.db2.gz JFKBXHOYUVIMAB-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN CCN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)CC(F)(F)F ZINC000278776760 269242427 /nfs/dbraw/zinc/24/24/27/269242427.db2.gz HBEBAHRZOJIOKZ-LLVKDONJSA-N 0 0 331.338 2.134 40 0 EEABRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)c1ncccc1OC ZINC000121712574 287725045 /nfs/dbraw/zinc/72/50/45/287725045.db2.gz SUDWBGAHVYVOLF-ZFWWWQNUSA-N 0 0 348.447 2.273 40 0 EEABRN O=C(NCc1ccc(Cl)cc1F)[C@@H]1COCCN1CC(F)F ZINC000288608598 275075349 /nfs/dbraw/zinc/07/53/49/275075349.db2.gz QRRPROMDMPDZNL-LBPRGKRZSA-N 0 0 336.741 2.061 40 0 EEABRN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NN1C ZINC000005480850 275442357 /nfs/dbraw/zinc/44/23/57/275442357.db2.gz OOVUXMWDLLCRRA-SFHVURJKSA-N 0 0 338.367 2.273 40 0 EEABRN CC(C)C[C@H]1CCCN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C1 ZINC000096468418 275917700 /nfs/dbraw/zinc/91/77/00/275917700.db2.gz JXHWYOZZDYSQFT-WBVHZDCISA-N 0 0 335.496 2.491 40 0 EEABRN COCc1nc2ncnn2c(N)c1-c1ccc(Br)cc1 ZINC000009290066 277615700 /nfs/dbraw/zinc/61/57/00/277615700.db2.gz IYWKYNAKTFDMJN-UHFFFAOYSA-N 0 0 334.177 2.282 40 0 EEABRN COc1ccc(OCC(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cc1 ZINC000257285134 277921309 /nfs/dbraw/zinc/92/13/09/277921309.db2.gz PFUTXHDYJWOTFC-KRWDZBQOSA-N 0 0 349.427 2.261 40 0 EEABRN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1F ZINC000000358109 279530492 /nfs/dbraw/zinc/53/04/92/279530492.db2.gz CAOIUDYHRPKJJF-CQSZACIVSA-N 0 0 336.388 2.441 40 0 EEABRN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc(C)c(C)c1=O ZINC000188288613 280618383 /nfs/dbraw/zinc/61/83/83/280618383.db2.gz JWVMXMUMRCLWRB-CQSZACIVSA-N 0 0 331.441 2.458 40 0 EEABRN C[C@@H]1CN(c2ncc(Br)cn2)CC2(CCOCC2)O1 ZINC000253419258 288277154 /nfs/dbraw/zinc/27/71/54/288277154.db2.gz DSMVWMYYCFJGCU-SNVBAGLBSA-N 0 0 328.210 2.013 40 0 EEABRN Cc1ncc2c(n1)[C@@H]1CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]1CC2 ZINC000012120846 293618694 /nfs/dbraw/zinc/61/86/94/293618694.db2.gz YZWTYQJLKCULHS-LSDHHAIUSA-N 0 0 337.379 2.316 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438253 294298270 /nfs/dbraw/zinc/29/82/70/294298270.db2.gz FPQPNORIBKFNDE-BYCMXARLSA-N 0 0 346.880 2.040 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000408431184 295107534 /nfs/dbraw/zinc/10/75/34/295107534.db2.gz CUSXXADKNHMCPO-MJBXVCDLSA-N 0 0 327.446 2.174 40 0 EEABRN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)o1 ZINC000193940430 301812131 /nfs/dbraw/zinc/81/21/31/301812131.db2.gz HGFAHIQPQPZXPI-UONOGXRCSA-N 0 0 342.461 2.312 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000072242122 302744927 /nfs/dbraw/zinc/74/49/27/302744927.db2.gz KBQKDORROBMMRA-RHSMWYFYSA-N 0 0 344.390 2.334 40 0 EEABRN O=C(NCC(F)(F)C(F)F)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000192015469 303748780 /nfs/dbraw/zinc/74/87/80/303748780.db2.gz ULAWXKCXPXZSTP-SNVBAGLBSA-N 0 0 348.296 2.013 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)no1 ZINC000331546527 311869472 /nfs/dbraw/zinc/86/94/72/311869472.db2.gz WGEYLHCVQMLMBN-OZVIIMIRSA-N 0 0 336.413 2.356 40 0 EEABRN C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000332833388 312060747 /nfs/dbraw/zinc/06/07/47/312060747.db2.gz GKNLBWQGHNPYNV-BLLLJJGKSA-N 0 0 331.391 2.292 40 0 EEABRN Cc1cnccc1NC(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000333465728 312151690 /nfs/dbraw/zinc/15/16/90/312151690.db2.gz ZVQWFSNFAXVOEQ-IBGZPJMESA-N 0 0 337.379 2.454 40 0 EEABRN CC(C)[C@H]1N(C(=O)NCc2nn(C)cc2Cl)CC12CCOCC2 ZINC000334122684 312242852 /nfs/dbraw/zinc/24/28/52/312242852.db2.gz MPLDUCYSADWEND-CQSZACIVSA-N 0 0 340.855 2.420 40 0 EEABRN COc1ccc2c(c1)C1(CC1)CN(CC(=O)N[C@H](C(C)=O)C(C)C)C2 ZINC000578403735 320311839 /nfs/dbraw/zinc/31/18/39/320311839.db2.gz SDBXOQOCEJFLHE-IBGZPJMESA-N 0 0 344.455 2.272 40 0 EEABRN Cc1cc(C)nc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000097378716 323322296 /nfs/dbraw/zinc/32/22/96/323322296.db2.gz HXRBCEYAAZEXBZ-AWEZNQCLSA-N 0 0 328.420 2.222 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCc1ccc(C)cc1)CC2 ZINC000163378817 323334556 /nfs/dbraw/zinc/33/45/56/323334556.db2.gz XMUDCVUUZYNKFK-ROUUACIJSA-N 0 0 346.471 2.499 40 0 EEABRN C[C@H]1OCC[C@@H]1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000195559594 323514414 /nfs/dbraw/zinc/51/44/14/323514414.db2.gz LBFVENBGHWQFSK-RISCZKNCSA-N 0 0 333.363 2.350 40 0 EEABRN O=C(c1ccncc1)N(CCO)Cc1cccc(Br)c1 ZINC000195580538 323515195 /nfs/dbraw/zinc/51/51/95/323515195.db2.gz FDTSILLDTZTAJB-UHFFFAOYSA-N 0 0 335.201 2.479 40 0 EEABRN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccs1 ZINC000000061397 462540944 /nfs/dbraw/zinc/54/09/44/462540944.db2.gz DBLKROFGNLXBPQ-GFCCVEGCSA-N 0 0 333.365 2.267 40 0 EEABRN CC(C)c1nnc2n1CCN(C(=O)c1ccnn1C1CCCC1)C2 ZINC000328970547 465187092 /nfs/dbraw/zinc/18/70/92/465187092.db2.gz UUUPPEADKYCOQU-UHFFFAOYSA-N 0 0 328.420 2.369 40 0 EEABRN CSc1ncccc1C(=O)NC[C@]1(O)CCOc2ccccc21 ZINC000085470311 462550435 /nfs/dbraw/zinc/55/04/35/462550435.db2.gz CJLQMJVUJLYQAH-QGZVFWFLSA-N 0 0 330.409 2.204 40 0 EEABRN COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccco2)c1 ZINC000000410593 462559201 /nfs/dbraw/zinc/55/92/01/462559201.db2.gz WNCXCNZQDZMWGW-UHFFFAOYSA-N 0 0 330.369 2.113 40 0 EEABRN O=C(CSc1nnc(NC(=O)C2CCC2)s1)N1CCCCC1 ZINC000001381485 462579915 /nfs/dbraw/zinc/57/99/15/462579915.db2.gz WJCQBAJZPUAELK-UHFFFAOYSA-N 0 0 340.474 2.381 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)NC1CCCC1)c1ccccc1F ZINC000113966128 462618352 /nfs/dbraw/zinc/61/83/52/462618352.db2.gz SOEKZHGKLIQDID-UHFFFAOYSA-N 0 0 342.436 2.431 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004132968 462628270 /nfs/dbraw/zinc/62/82/70/462628270.db2.gz VQIYXXNJMWGPGE-UHFFFAOYSA-N 0 0 347.484 2.224 40 0 EEABRN COC(=O)c1c(NC(=O)C(C)C)sc2c1[C@@H](C(=O)OC)CC2 ZINC000004194031 462629047 /nfs/dbraw/zinc/62/90/47/462629047.db2.gz QEDNHPSYAMZPSO-QMMMGPOBSA-N 0 0 325.386 2.332 40 0 EEABRN Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCCC2)cc1 ZINC000004190449 462629482 /nfs/dbraw/zinc/62/94/82/462629482.db2.gz TWSYWSNEZGWCDO-IRXDYDNUSA-N 0 0 327.432 2.346 40 0 EEABRN O=C(c1nnc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000046088187 462645997 /nfs/dbraw/zinc/64/59/97/462645997.db2.gz DRTHSYLGSNVRNK-UHFFFAOYSA-N 0 0 337.358 2.126 40 0 EEABRN O=C(NCCOc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000063899349 462681704 /nfs/dbraw/zinc/68/17/04/462681704.db2.gz DLASVXVOBHUKAC-UHFFFAOYSA-N 0 0 326.396 2.332 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2O)C1=O ZINC000006497418 462688640 /nfs/dbraw/zinc/68/86/40/462688640.db2.gz OGMXCOYEUYHSBY-YRNVUSSQSA-N 0 0 337.353 2.000 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000006596909 462692033 /nfs/dbraw/zinc/69/20/33/462692033.db2.gz LJQHZDGOQYVESL-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN COc1ccccc1OC(=O)c1cc(S(=O)(=O)N(C)C)cs1 ZINC000006680298 462696749 /nfs/dbraw/zinc/69/67/49/462696749.db2.gz JNFYATDAACZDME-UHFFFAOYSA-N 0 0 341.410 2.226 40 0 EEABRN CC1CCN(C(=O)NCCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000046951251 462724625 /nfs/dbraw/zinc/72/46/25/462724625.db2.gz QZXOXJZDJPWPCZ-UHFFFAOYSA-N 0 0 338.473 2.433 40 0 EEABRN COc1ccc(N2C[C@@H](C(=O)Oc3ccccc3C=O)CC2=O)cc1 ZINC000007928974 462758058 /nfs/dbraw/zinc/75/80/58/462758058.db2.gz HKCISWXKPAECLK-AWEZNQCLSA-N 0 0 339.347 2.466 40 0 EEABRN CN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000008289114 462776853 /nfs/dbraw/zinc/77/68/53/462776853.db2.gz FNUDRRDIFGIDED-UHFFFAOYSA-N 0 0 340.351 2.224 40 0 EEABRN Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)cc1 ZINC000008476285 462784691 /nfs/dbraw/zinc/78/46/91/462784691.db2.gz VREGVAABXGVEFS-UHFFFAOYSA-N 0 0 340.358 2.104 40 0 EEABRN O=C(CN1C(=O)C(=O)O/C1=C/c1ccccc1)OCc1ccccc1 ZINC000008627599 462790532 /nfs/dbraw/zinc/79/05/32/462790532.db2.gz XIMZNRXQVNEJMO-LFIBNONCSA-N 0 0 337.331 2.114 40 0 EEABRN CC(C)n1c(=O)[nH]c(=O)c2c(-c3ccc4c(c3)OCO4)ccnc21 ZINC000010339016 462817727 /nfs/dbraw/zinc/81/77/27/462817727.db2.gz NWGWSTGWDYYYAQ-UHFFFAOYSA-N 0 0 325.324 2.061 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)cn1 ZINC000012126140 462843062 /nfs/dbraw/zinc/84/30/62/462843062.db2.gz ADVZGXBQNSOERF-UHFFFAOYSA-N 0 0 338.411 2.193 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000012132623 462843332 /nfs/dbraw/zinc/84/33/32/462843332.db2.gz WHHDWIYABGXSEF-AWEZNQCLSA-N 0 0 336.457 2.381 40 0 EEABRN Cc1ccc2oc(=O)n(CC(=O)NCCCc3ccccn3)c2c1 ZINC000012148579 462845139 /nfs/dbraw/zinc/84/51/39/462845139.db2.gz GVMYNHIJJAUQOQ-UHFFFAOYSA-N 0 0 325.368 2.047 40 0 EEABRN CSc1ncc(C(=O)NCc2noc(-c3ccccc3)n2)cn1 ZINC000012203184 462846335 /nfs/dbraw/zinc/84/63/35/462846335.db2.gz MGYHMFBWGMXSQE-UHFFFAOYSA-N 0 0 327.369 2.179 40 0 EEABRN c1csc(-c2nc(N3CCOCC3)ncc2-c2cnccn2)c1 ZINC000012186273 462846729 /nfs/dbraw/zinc/84/67/29/462846729.db2.gz LUNWLIOUODCFDF-UHFFFAOYSA-N 0 0 325.397 2.499 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCCC[C@@H]1CCOC1 ZINC000012204077 462846990 /nfs/dbraw/zinc/84/69/90/462846990.db2.gz WZGBCBAHWCCFKK-PBFPGSCMSA-N 0 0 334.391 2.498 40 0 EEABRN COCCC(=O)N[C@@H](Cc1ccccc1)c1nn(C)c2ncccc12 ZINC000012236066 462848143 /nfs/dbraw/zinc/84/81/43/462848143.db2.gz SUULIYULRZASPQ-INIZCTEOSA-N 0 0 338.411 2.405 40 0 EEABRN Fc1cccc(C2(NCc3cnc(N4CCOCC4)nc3)CC2)c1 ZINC000012238750 462848919 /nfs/dbraw/zinc/84/89/19/462848919.db2.gz OVKRXRBCVZQONF-UHFFFAOYSA-N 0 0 328.391 2.231 40 0 EEABRN Cc1ccc(-c2nc3c([nH]c(=O)n3C3CCCCC3)c(C(N)=O)n2)o1 ZINC000012338262 462850118 /nfs/dbraw/zinc/85/01/18/462850118.db2.gz NMYIDLMGYIXGKO-UHFFFAOYSA-N 0 0 341.371 2.292 40 0 EEABRN CC(C)[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NC1CCCC1 ZINC000015935646 462966463 /nfs/dbraw/zinc/96/64/63/462966463.db2.gz SHHNALJFGRQMIB-QGZVFWFLSA-N 0 0 344.415 2.058 40 0 EEABRN CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(c2ncccn2)C1 ZINC000019701968 463021250 /nfs/dbraw/zinc/02/12/50/463021250.db2.gz OGLRGWJQGIZWLB-LLVKDONJSA-N 0 0 339.424 2.440 40 0 EEABRN CC(C)COC[C@@H]1CN(C(=O)c2cscn2)Cc2ncn(C)c21 ZINC000096044848 463149201 /nfs/dbraw/zinc/14/92/01/463149201.db2.gz ZZKCOROIXNUWSV-LBPRGKRZSA-N 0 0 334.445 2.289 40 0 EEABRN O=C(c1cccs1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048398 463151518 /nfs/dbraw/zinc/15/15/18/463151518.db2.gz QNNXDEIWVMJGOL-DYVFJYSZSA-N 0 0 344.440 2.414 40 0 EEABRN Cc1nnc(N2CCC[C@]3(CN(Cc4cccs4)CCO3)C2)o1 ZINC000096049187 463152594 /nfs/dbraw/zinc/15/25/94/463152594.db2.gz ZDQUCZMSBIXOFM-INIZCTEOSA-N 0 0 334.445 2.311 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)o1 ZINC000096056609 463158089 /nfs/dbraw/zinc/15/80/89/463158089.db2.gz VPVNUAJOFJGGLU-HZPDHXFCSA-N 0 0 339.395 2.389 40 0 EEABRN COc1ncccc1CN1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096065801 463164977 /nfs/dbraw/zinc/16/49/77/463164977.db2.gz FBVLKYPSEMIVFF-RCCFBDPRSA-N 0 0 341.411 2.296 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@H](Nc3nccs3)CO2)C1 ZINC000096073816 463167469 /nfs/dbraw/zinc/16/74/69/463167469.db2.gz VNSNUXQNQVVPRX-LRDDRELGSA-N 0 0 332.429 2.347 40 0 EEABRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CCn1ccnn1 ZINC000078996975 463177040 /nfs/dbraw/zinc/17/70/40/463177040.db2.gz AXJDNALIDSULKY-HNNXBMFYSA-N 0 0 334.395 2.417 40 0 EEABRN O=S(=O)(NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000079097798 463188333 /nfs/dbraw/zinc/18/83/33/463188333.db2.gz BINIAYVULZUNJT-UHFFFAOYSA-N 0 0 332.360 2.089 40 0 EEABRN CN(C(=O)CN(Cc1cccnc1)C[C@H]1CCCO1)c1nccs1 ZINC000079099747 463188672 /nfs/dbraw/zinc/18/86/72/463188672.db2.gz GEYNEDQYEXXDDH-OAHLLOKOSA-N 0 0 346.456 2.182 40 0 EEABRN Cc1nc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)cs1 ZINC000096158812 463191087 /nfs/dbraw/zinc/19/10/87/463191087.db2.gz YWIPRELPWJTJPU-UHFFFAOYSA-N 0 0 345.472 2.113 40 0 EEABRN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000096186242 463197197 /nfs/dbraw/zinc/19/71/97/463197197.db2.gz UYIFEZKOLGQYIG-IAGOWNOFSA-N 0 0 341.411 2.020 40 0 EEABRN c1ccc(COC[C@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)nc1 ZINC000096186798 463198979 /nfs/dbraw/zinc/19/89/79/463198979.db2.gz ODYAYDOSCBAXOT-IKGGRYGDSA-N 0 0 326.400 2.215 40 0 EEABRN O=C1CCCN1C[C@@H]1Cn2ccnc2CN(Cc2cccc(F)c2)C1 ZINC000096188459 463200145 /nfs/dbraw/zinc/20/01/45/463200145.db2.gz XHSDGRTZBKFSDO-INIZCTEOSA-N 0 0 342.418 2.277 40 0 EEABRN COCc1cncc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096189282 463200187 /nfs/dbraw/zinc/20/01/87/463200187.db2.gz GLAMWJUYVLBWCJ-UHFFFAOYSA-N 0 0 326.396 2.364 40 0 EEABRN O=C(CCc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096188581 463200291 /nfs/dbraw/zinc/20/02/91/463200291.db2.gz GZFAYXSTNAECFG-GOSISDBHSA-N 0 0 349.438 2.371 40 0 EEABRN Cc1nc2cc(C(=O)N3CCN(Cc4ccco4)CC3)ccc2n1C ZINC000079330669 463207516 /nfs/dbraw/zinc/20/75/16/463207516.db2.gz RNVNEIZVAHPXJA-UHFFFAOYSA-N 0 0 338.411 2.433 40 0 EEABRN CCOCc1ccc(CNC(=O)CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000079354411 463208237 /nfs/dbraw/zinc/20/82/37/463208237.db2.gz YPKHBYUNEPXSAM-ROUUACIJSA-N 0 0 332.444 2.093 40 0 EEABRN CCc1ccc(CN2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)o1 ZINC000096225442 463220291 /nfs/dbraw/zinc/22/02/91/463220291.db2.gz WDKXZQJQKDSAIZ-SFHVURJKSA-N 0 0 333.432 2.335 40 0 EEABRN O=C([C@H]1CCCO1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC000096226240 463220307 /nfs/dbraw/zinc/22/03/07/463220307.db2.gz RPYOZQHOIFBWHE-MJGOQNOKSA-N 0 0 330.428 2.063 40 0 EEABRN Cc1nnc(N2CCC[C@]3(CN(Cc4ccc(F)cc4)CCO3)C2)o1 ZINC000096226680 463221197 /nfs/dbraw/zinc/22/11/97/463221197.db2.gz UKAROBVSYZVWBR-SFHVURJKSA-N 0 0 346.406 2.389 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255214 463228772 /nfs/dbraw/zinc/22/87/72/463228772.db2.gz XAUJDZHZBGXQCA-UHFFFAOYSA-N 0 0 337.383 2.020 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cccc1F ZINC000096375469 463236940 /nfs/dbraw/zinc/23/69/40/463236940.db2.gz LREAAXJNPSTYGT-ZACCUICWSA-N 0 0 329.368 2.145 40 0 EEABRN COC(=O)NCC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000096403499 463238109 /nfs/dbraw/zinc/23/81/09/463238109.db2.gz REGMSVOTUADCOL-UHFFFAOYSA-N 0 0 332.322 2.455 40 0 EEABRN CCCS(=O)(=O)CC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000096411067 463243756 /nfs/dbraw/zinc/24/37/56/463243756.db2.gz DFDMWMMYIUYCHE-LBPRGKRZSA-N 0 0 341.326 2.370 40 0 EEABRN O=C(CC1=CCCCC1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096412579 463245292 /nfs/dbraw/zinc/24/52/92/463245292.db2.gz YTQPGSDIPBAFHG-QGZVFWFLSA-N 0 0 348.468 2.488 40 0 EEABRN C[C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)N1CCc2ccccc21 ZINC000096413282 463245970 /nfs/dbraw/zinc/24/59/70/463245970.db2.gz NVMOATXMONBEQF-BXUZGUMPSA-N 0 0 345.365 2.050 40 0 EEABRN O=C(NC[C@H](O)c1cccc(F)c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000096415613 463248109 /nfs/dbraw/zinc/24/81/09/463248109.db2.gz STFNAGOEPXKXBR-INIZCTEOSA-N 0 0 344.321 2.009 40 0 EEABRN CC(C)(C)c1cc(NC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000096415910 463248263 /nfs/dbraw/zinc/24/82/63/463248263.db2.gz JBLLWJUEIFHELW-MRVPVSSYSA-N 0 0 348.325 2.257 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000096423421 463253490 /nfs/dbraw/zinc/25/34/90/463253490.db2.gz QFNYDGPITDPECM-BZUAXINKSA-N 0 0 334.460 2.099 40 0 EEABRN Cc1ccc(Br)cc1C(=O)N1CCCS(=O)(=O)CC1 ZINC000096426480 463256059 /nfs/dbraw/zinc/25/60/59/463256059.db2.gz RDKVRZRZDRYAFE-UHFFFAOYSA-N 0 0 346.246 2.018 40 0 EEABRN CCCCc1nnc(SCc2csc(-c3cnn(C)c3)n2)n1N ZINC000096430253 463259087 /nfs/dbraw/zinc/25/90/87/463259087.db2.gz GPOOCHKLSNQJLM-UHFFFAOYSA-N 0 0 349.489 2.484 40 0 EEABRN CSC[C@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437103 463264981 /nfs/dbraw/zinc/26/49/81/463264981.db2.gz KGSAWFRZWHJXFE-WRWORJQWSA-N 0 0 335.242 2.456 40 0 EEABRN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 ZINC000096437730 463266070 /nfs/dbraw/zinc/26/60/70/463266070.db2.gz BWMYTDXFCGRNRC-NEPJUHHUSA-N 0 0 329.404 2.500 40 0 EEABRN CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1c(C)c(C)nn(C)c1=O ZINC000096443167 463268116 /nfs/dbraw/zinc/26/81/16/463268116.db2.gz UUWPTUVZKAVGPR-INIZCTEOSA-N 0 0 327.428 2.457 40 0 EEABRN Cc1cc(Br)oc1C(=O)OC[C@@H]1CCCN1C(N)=O ZINC000096442221 463268421 /nfs/dbraw/zinc/26/84/21/463268421.db2.gz CCTGDRDJCFZSOL-QMMMGPOBSA-N 0 0 331.166 2.050 40 0 EEABRN Cc1ncccc1C(=O)N1CCN(c2nncc3ccccc32)CC1 ZINC000096443698 463268703 /nfs/dbraw/zinc/26/87/03/463268703.db2.gz IEOSOPCQCIJBTH-UHFFFAOYSA-N 0 0 333.395 2.296 40 0 EEABRN CCc1nnc(-c2ccc(NC(=O)NCc3nncn3CC)cc2)o1 ZINC000096447200 463271378 /nfs/dbraw/zinc/27/13/78/463271378.db2.gz JBECSAUQDHRXFL-UHFFFAOYSA-N 0 0 341.375 2.232 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[C@H](O)c1ccccc1 ZINC000096450319 463272084 /nfs/dbraw/zinc/27/20/84/463272084.db2.gz DCRVVLIUSOWBMC-AWEZNQCLSA-N 0 0 343.427 2.229 40 0 EEABRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096450645 463272255 /nfs/dbraw/zinc/27/22/55/463272255.db2.gz ALHQRILXPNGZGG-GMTAPVOTSA-N 0 0 338.395 2.188 40 0 EEABRN Cc1nc(S(=O)(=O)CC(=O)N([C@H](C)C2CC2)C2CC2)sc1C ZINC000096451882 463273160 /nfs/dbraw/zinc/27/31/60/463273160.db2.gz OTLRFPRRKKQQII-SNVBAGLBSA-N 0 0 342.486 2.323 40 0 EEABRN C[C@H](CCc1ccc(Br)cc1)NC(=O)Cn1ccnn1 ZINC000096454923 463275509 /nfs/dbraw/zinc/27/55/09/463275509.db2.gz KJRJUCRBUZPLHI-LLVKDONJSA-N 0 0 337.221 2.178 40 0 EEABRN Cc1cnn(-c2ccc(S(=O)(=O)NCc3ccco3)cc2F)c1 ZINC000096466239 463278146 /nfs/dbraw/zinc/27/81/46/463278146.db2.gz YRQMMEDQZPVMEZ-UHFFFAOYSA-N 0 0 335.360 2.391 40 0 EEABRN CN(C)[C@@H](CNC(=O)N1CCN(c2cccs2)CC1)c1ccco1 ZINC000096462662 463278258 /nfs/dbraw/zinc/27/82/58/463278258.db2.gz MAMPTEATBXPXOE-AWEZNQCLSA-N 0 0 348.472 2.476 40 0 EEABRN O=C(NCc1nnc2ccccn21)N1CCO[C@H](c2cccs2)C1 ZINC000096473328 463278958 /nfs/dbraw/zinc/27/89/58/463278958.db2.gz ZXJWFNSDMJRRLZ-LBPRGKRZSA-N 0 0 343.412 2.074 40 0 EEABRN CNS(=O)(=O)c1ccc(NC[C@]2(C)CCCC[C@@H]2O)c(F)c1 ZINC000096489932 463286235 /nfs/dbraw/zinc/28/62/35/463286235.db2.gz FTAWYNKMGGDAQO-GJZGRUSLSA-N 0 0 330.425 2.087 40 0 EEABRN C[C@@](O)(CNC(=O)NC[C@@]1(C)CCCO1)c1ccccc1Cl ZINC000096503174 463292408 /nfs/dbraw/zinc/29/24/08/463292408.db2.gz FRIAGHRSTLPLOG-HZPDHXFCSA-N 0 0 326.824 2.416 40 0 EEABRN Cc1ccc(N2CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC2)nc1 ZINC000097100744 463324220 /nfs/dbraw/zinc/32/42/20/463324220.db2.gz LTCZBOJAFCTSBG-INIZCTEOSA-N 0 0 348.491 2.455 40 0 EEABRN O=C(C[C@@H](CO)NC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000140947030 463347655 /nfs/dbraw/zinc/34/76/55/463347655.db2.gz YTGBDYLBYWKYHR-KRWDZBQOSA-N 0 0 343.379 2.407 40 0 EEABRN C[C@H](NC(=O)c1ccc2nccn2c1)C1(N2CCOCC2)CCCC1 ZINC000097212822 463348694 /nfs/dbraw/zinc/34/86/94/463348694.db2.gz RYKUXNOZVIVHSH-HNNXBMFYSA-N 0 0 342.443 2.098 40 0 EEABRN CN(C)C(=O)N1CCC(Nc2ccc3nc(N(C)C)oc3c2)CC1 ZINC000097230663 463351705 /nfs/dbraw/zinc/35/17/05/463351705.db2.gz JZFYYOQANFTPJP-UHFFFAOYSA-N 0 0 331.420 2.452 40 0 EEABRN CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161573641 463440174 /nfs/dbraw/zinc/44/01/74/463440174.db2.gz FNNLLFZLLNAZNU-LLVKDONJSA-N 0 0 329.404 2.454 40 0 EEABRN O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490758 463450301 /nfs/dbraw/zinc/45/03/01/463450301.db2.gz AIQIZAOEWWVZBX-INIZCTEOSA-N 0 0 338.407 2.313 40 0 EEABRN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]1c1ccncc1 ZINC000040050706 463453305 /nfs/dbraw/zinc/45/33/05/463453305.db2.gz KUKBVOBZGGWDPD-INIZCTEOSA-N 0 0 334.379 2.155 40 0 EEABRN O=C(N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000040466609 463455848 /nfs/dbraw/zinc/45/58/48/463455848.db2.gz DJIBQZWOSBAFDA-DZGCQCFKSA-N 0 0 335.450 2.388 40 0 EEABRN Cc1ccc2c(cnn2CCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000040758910 463464103 /nfs/dbraw/zinc/46/41/03/463464103.db2.gz BEUHOFRUISHAHD-UHFFFAOYSA-N 0 0 349.438 2.479 40 0 EEABRN COc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000072227732 463484533 /nfs/dbraw/zinc/48/45/33/463484533.db2.gz OJUTVOBEXONIMX-IAGOWNOFSA-N 0 0 328.368 2.128 40 0 EEABRN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 ZINC000042667559 463585906 /nfs/dbraw/zinc/58/59/06/463585906.db2.gz YDJGGEPDQPWPQA-CYBMUJFWSA-N 0 0 337.372 2.252 40 0 EEABRN CC(C)NC(=O)C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000059417425 463643134 /nfs/dbraw/zinc/64/31/34/463643134.db2.gz DVKLYULVSBWEII-UHFFFAOYSA-N 0 0 326.396 2.373 40 0 EEABRN Cc1cc(S(=O)(=O)NCc2ccco2)ccc1N1CCCC1=O ZINC000044899761 463700011 /nfs/dbraw/zinc/70/00/11/463700011.db2.gz WYQDRICBXLBARE-UHFFFAOYSA-N 0 0 334.397 2.193 40 0 EEABRN CCn1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cn1 ZINC000257287533 463762693 /nfs/dbraw/zinc/76/26/93/463762693.db2.gz PQJJHILQKMTCIF-MRXNPFEDSA-N 0 0 328.416 2.041 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cncs2)n1 ZINC000257304210 463770570 /nfs/dbraw/zinc/77/05/70/463770570.db2.gz SKMRFKWLYRAJIG-CQSZACIVSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)ccn1 ZINC000257313107 463773812 /nfs/dbraw/zinc/77/38/12/463773812.db2.gz URBRXDGFGOLUSD-MRXNPFEDSA-N 0 0 327.384 2.471 40 0 EEABRN COCCC(=O)N1CCC[C@](C)(c2cn3cccc3c(N(C)C)n2)C1 ZINC000257321599 463777798 /nfs/dbraw/zinc/77/77/98/463777798.db2.gz WCIFUYCSOXQZBH-IBGZPJMESA-N 0 0 344.459 2.317 40 0 EEABRN CCc1nccn1CCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257336957 463784197 /nfs/dbraw/zinc/78/41/97/463784197.db2.gz YQTZNOXUDRPYLD-QGZVFWFLSA-N 0 0 326.444 2.351 40 0 EEABRN CN(CC(=O)N1CCC(Cc2ccncc2)CC1)Cc1cccnc1 ZINC000257340092 463786307 /nfs/dbraw/zinc/78/63/07/463786307.db2.gz ZEMNUNMDPXXTID-UHFFFAOYSA-N 0 0 338.455 2.390 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)n1 ZINC000257344446 463787687 /nfs/dbraw/zinc/78/76/87/463787687.db2.gz ZXFLNEKRHIXAMH-OAHLLOKOSA-N 0 0 344.415 2.166 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)n1 ZINC000257344445 463788224 /nfs/dbraw/zinc/78/82/24/463788224.db2.gz ZXFLNEKRHIXAMH-HNNXBMFYSA-N 0 0 344.415 2.166 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)C1(O)CCC1 ZINC000185931722 463906981 /nfs/dbraw/zinc/90/69/81/463906981.db2.gz PZNSRPHTMCSKQS-NSHDSACASA-N 0 0 339.233 2.059 40 0 EEABRN Cc1cc(C)n2c(nnc2S(=O)(=O)CCCc2ccccc2)n1 ZINC000195082265 463987917 /nfs/dbraw/zinc/98/79/17/463987917.db2.gz FVUGBNRWARCHSI-UHFFFAOYSA-N 0 0 330.413 2.148 40 0 EEABRN Cc1cnc(C)c(N2CCCN(C(=O)COc3ccccc3)CC2)n1 ZINC000195563741 464077913 /nfs/dbraw/zinc/07/79/13/464077913.db2.gz HXEGJMFATNIGLJ-UHFFFAOYSA-N 0 0 340.427 2.211 40 0 EEABRN COc1nn(C)cc1C(=O)N(Cc1cccs1)C1CCOCC1 ZINC000207961649 464100140 /nfs/dbraw/zinc/10/01/40/464100140.db2.gz LHZWUOQIHKUABZ-UHFFFAOYSA-N 0 0 335.429 2.312 40 0 EEABRN O=C1NC(=O)C(=Cc2cc(I)ccc2O)S1 ZINC000214293625 464105520 /nfs/dbraw/zinc/10/55/20/464105520.db2.gz CHZKZDRVYATHSH-XBXARRHUSA-N 0 0 347.133 2.321 40 0 EEABRN CN(c1cccc(C(=O)NCCSC(C)(C)C)c1)S(C)(=O)=O ZINC000222410717 464130557 /nfs/dbraw/zinc/13/05/57/464130557.db2.gz MFMHYXSIMITFAU-UHFFFAOYSA-N 0 0 344.502 2.344 40 0 EEABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1 ZINC000222872489 464134762 /nfs/dbraw/zinc/13/47/62/464134762.db2.gz FHDRYVKLVBOGAT-INIZCTEOSA-N 0 0 340.423 2.271 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000223260801 464139377 /nfs/dbraw/zinc/13/93/77/464139377.db2.gz VVIIALPMIRLERS-IUODEOHRSA-N 0 0 342.461 2.155 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000223275238 464139501 /nfs/dbraw/zinc/13/95/01/464139501.db2.gz FEYYAIQMYIKXRF-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Nc3ccc(F)cc3F)cn2)CC1 ZINC000224267558 464149379 /nfs/dbraw/zinc/14/93/79/464149379.db2.gz WBAOYSGNHCABSY-UHFFFAOYSA-N 0 0 348.357 2.151 40 0 EEABRN COc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1 ZINC000224205654 464149537 /nfs/dbraw/zinc/14/95/37/464149537.db2.gz VLKOQYDRVKQSHT-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN COc1cc(OC)cc(OCC(=O)NCCOc2ccc(F)cc2)c1 ZINC000224255501 464149822 /nfs/dbraw/zinc/14/98/22/464149822.db2.gz OTXVGFHWLPVSBH-UHFFFAOYSA-N 0 0 349.358 2.417 40 0 EEABRN C[C@@H]1CCCCN(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000187692494 464151909 /nfs/dbraw/zinc/15/19/09/464151909.db2.gz PVFUNWMTXGNKGH-IUODEOHRSA-N 0 0 344.415 2.091 40 0 EEABRN COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 ZINC000225138201 464153843 /nfs/dbraw/zinc/15/38/43/464153843.db2.gz RMGLLUAVBLPANO-UHFFFAOYSA-N 0 0 347.364 2.395 40 0 EEABRN CN(C)c1cncc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)n1 ZINC000225406745 464157508 /nfs/dbraw/zinc/15/75/08/464157508.db2.gz LNOQERPLNWVFNY-LLVKDONJSA-N 0 0 333.417 2.289 40 0 EEABRN O=C(N[C@H]1CCN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000225401489 464157643 /nfs/dbraw/zinc/15/76/43/464157643.db2.gz KLBOFHCZJPKSEK-PKOBYXMFSA-N 0 0 349.434 2.444 40 0 EEABRN CN(C)c1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1 ZINC000225449338 464161213 /nfs/dbraw/zinc/16/12/13/464161213.db2.gz DUYNBXGYSBBIBR-LLVKDONJSA-N 0 0 333.417 2.289 40 0 EEABRN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1cccnc1N1CCCC1)CC2 ZINC000225520004 464167766 /nfs/dbraw/zinc/16/77/66/464167766.db2.gz WAUMGUUQUVHMKB-CQSZACIVSA-N 0 0 339.443 2.135 40 0 EEABRN O=C1CCCN1c1cccc(NC(=S)NCCCn2ccnc2)c1 ZINC000225522147 464168927 /nfs/dbraw/zinc/16/89/27/464168927.db2.gz NOCMGPIEIVSFJP-UHFFFAOYSA-N 0 0 343.456 2.387 40 0 EEABRN O=C(NCc1nc2ccccc2[nH]1)c1cc(N2CCCCC2)ncn1 ZINC000225538374 464171245 /nfs/dbraw/zinc/17/12/45/464171245.db2.gz XZYBHJUPLWJIRC-UHFFFAOYSA-N 0 0 336.399 2.273 40 0 EEABRN CNc1nc(C)cc(C(=O)NCc2cn(C)nc2-c2ccccc2)n1 ZINC000225563461 464171708 /nfs/dbraw/zinc/17/17/08/464171708.db2.gz JMCPCKSJPUVEHE-UHFFFAOYSA-N 0 0 336.399 2.157 40 0 EEABRN CC1(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CCCC1 ZINC000225596502 464174910 /nfs/dbraw/zinc/17/49/10/464174910.db2.gz RTDULDNLMAJDLF-UHFFFAOYSA-N 0 0 346.427 2.443 40 0 EEABRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188192762 464221061 /nfs/dbraw/zinc/22/10/61/464221061.db2.gz KQDLLAOMYVRTMI-LSDHHAIUSA-N 0 0 340.464 2.314 40 0 EEABRN Cn1nc(C(=O)N[C@](C)(CO)C2CCCCC2)cc1OC(F)F ZINC000189121646 464438282 /nfs/dbraw/zinc/43/82/82/464438282.db2.gz WHPGZRHMLGTEND-OAHLLOKOSA-N 0 0 331.363 2.083 40 0 EEABRN O=C(Nc1cc(F)ccc1OCC1CC1)N1CCN2CCOC[C@H]2C1 ZINC000239761623 464444293 /nfs/dbraw/zinc/44/42/93/464444293.db2.gz CJYVMHRUHAIPAC-OAHLLOKOSA-N 0 0 349.406 2.163 40 0 EEABRN C[C@H]1CCN(C(=O)CN2CCCC[C@H]2C(N)=O)c2ccccc2S1 ZINC000241439919 464453586 /nfs/dbraw/zinc/45/35/86/464453586.db2.gz NNLSIDDHAPQUNQ-ZFWWWQNUSA-N 0 0 347.484 2.244 40 0 EEABRN COc1ccc(C)cc1NC(=O)c1c2n(c(=O)cc1OC)CCC2 ZINC000244933060 464465452 /nfs/dbraw/zinc/46/54/52/464465452.db2.gz BZHITRJVPQKJNI-UHFFFAOYSA-N 0 0 328.368 2.372 40 0 EEABRN CSc1ncccc1C(=O)NCCn1ccc2ccoc2c1=O ZINC000245188076 464466753 /nfs/dbraw/zinc/46/67/53/464466753.db2.gz ZZQFMLHUXZVRFY-UHFFFAOYSA-N 0 0 329.381 2.141 40 0 EEABRN CN(C(=O)C(=O)Nc1cccnc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000190601144 464685744 /nfs/dbraw/zinc/68/57/44/464685744.db2.gz LBPXIIVRJCZESM-KRWDZBQOSA-N 0 0 338.411 2.148 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000182653088 464703346 /nfs/dbraw/zinc/70/33/46/464703346.db2.gz UFBPOMJEYZNQRS-HUUCEWRRSA-N 0 0 347.463 2.274 40 0 EEABRN Cc1cccc(CN2CC3(C2)CC[C@@H](CN2CCCCC2=O)CO3)n1 ZINC000247874921 464711663 /nfs/dbraw/zinc/71/16/63/464711663.db2.gz NQPGUPNSIPEJAH-KRWDZBQOSA-N 0 0 343.471 2.384 40 0 EEABRN Cc1csc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@H]2C)n1 ZINC000247933487 464715520 /nfs/dbraw/zinc/71/55/20/464715520.db2.gz DCZYOOQYRCOFNG-CYBMUJFWSA-N 0 0 347.488 2.292 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@H](COc2ccccn2)CCN3C)s1 ZINC000248126556 464732166 /nfs/dbraw/zinc/73/21/66/464732166.db2.gz LVFAHWLQXLNXJB-CQSZACIVSA-N 0 0 345.472 2.221 40 0 EEABRN COc1cccc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1 ZINC000252492063 464968302 /nfs/dbraw/zinc/96/83/02/464968302.db2.gz MBSHFAYCDOLUMK-UHFFFAOYSA-N 0 0 344.390 2.271 40 0 EEABRN O=C(NCCOc1ccc(Cl)cn1)C1CCN(CC(F)F)CC1 ZINC000252496546 464969710 /nfs/dbraw/zinc/96/97/10/464969710.db2.gz PKYQPIICTSIYIO-UHFFFAOYSA-N 0 0 347.793 2.207 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)N[C@@H](C)C[S@@](C)=O)CCO2)cc1 ZINC000252539856 464983162 /nfs/dbraw/zinc/98/31/62/464983162.db2.gz ONQQXDGMIVXGBZ-AXBCGAQBSA-N 0 0 338.473 2.099 40 0 EEABRN CSC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000253418563 465006005 /nfs/dbraw/zinc/00/60/05/465006005.db2.gz WNVPNJHXJDFJNP-SNVBAGLBSA-N 0 0 345.490 2.096 40 0 EEABRN C[C@H](CNC(=O)[C@@H]1CCc2n[nH]nc2C1)c1nc2ccccc2s1 ZINC000253418631 465006156 /nfs/dbraw/zinc/00/61/56/465006156.db2.gz WGBABCZMDBGZHV-GHMZBOCLSA-N 0 0 341.440 2.439 40 0 EEABRN COC(=O)[C@H]1CN(Cc2noc(C)n2)C[C@@H]1c1ccc(F)cc1F ZINC000253419142 465007965 /nfs/dbraw/zinc/00/79/65/465007965.db2.gz JRNVMDPAGCQLQT-OLZOCXBDSA-N 0 0 337.326 2.045 40 0 EEABRN Cc1nc2c(c(N3CCC[C@@H]([C@H](O)c4nccn4C)C3)n1)CCCC2 ZINC000253425690 465010659 /nfs/dbraw/zinc/01/06/59/465010659.db2.gz BOWGPBZPOLJZER-PBHICJAKSA-N 0 0 341.459 2.347 40 0 EEABRN CCOc1cc(C)ccc1CNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000253429443 465012270 /nfs/dbraw/zinc/01/22/70/465012270.db2.gz SDVFOUDHWFCMSX-BEFAXECRSA-N 0 0 348.443 2.483 40 0 EEABRN COc1ccnc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1OC ZINC000253428823 465012410 /nfs/dbraw/zinc/01/24/10/465012410.db2.gz MDPHZGIWDDKXOR-AWEZNQCLSA-N 0 0 332.404 2.012 40 0 EEABRN O=C1C[C@@H](NS(=O)(=O)C2CCCCC2)CN1c1ccccc1F ZINC000329628483 465391303 /nfs/dbraw/zinc/39/13/03/465391303.db2.gz PVAOHVALTTVQHF-GFCCVEGCSA-N 0 0 340.420 2.183 40 0 EEABRN CCn1c(Sc2cnn(C)c(=O)c2Cl)nnc1-c1ccco1 ZINC000301110681 465903684 /nfs/dbraw/zinc/90/36/84/465903684.db2.gz VGCFTWUTYVYZNO-UHFFFAOYSA-N 0 0 337.792 2.456 40 0 EEABRN Cc1cnc(N2CC[C@@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)nc1 ZINC000306135239 466492591 /nfs/dbraw/zinc/49/25/91/466492591.db2.gz OLKRTROBOFKODJ-CRAIPNDOSA-N 0 0 344.390 2.459 40 0 EEABRN O=C(CSCc1ccccc1Cl)NCCCN1CCOCC1 ZINC000408562690 466681133 /nfs/dbraw/zinc/68/11/33/466681133.db2.gz FJXHHWFUZPRDMK-UHFFFAOYSA-N 0 0 342.892 2.412 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554896 466681369 /nfs/dbraw/zinc/68/13/69/466681369.db2.gz VJRINTRCWZKQRJ-QWHCGFSZSA-N 0 0 334.441 2.421 40 0 EEABRN O=C1CCC(=O)N1c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000408722479 466681747 /nfs/dbraw/zinc/68/17/47/466681747.db2.gz UROIDIIMXDNDTJ-UHFFFAOYSA-N 0 0 348.355 2.280 40 0 EEABRN COc1ccc2c(Cl)c(C(=O)NCC(N)=O)sc2c1Cl ZINC000408969464 466684580 /nfs/dbraw/zinc/68/45/80/466684580.db2.gz NVGNNAFIVNWONZ-UHFFFAOYSA-N 0 0 333.196 2.432 40 0 EEABRN CCNC(=O)c1cc(I)c(OCC)c(OC)c1 ZINC000409369237 466686983 /nfs/dbraw/zinc/68/69/83/466686983.db2.gz AFXVQTLTDWZEDM-UHFFFAOYSA-N 0 0 349.168 2.448 40 0 EEABRN COC(=O)c1ccccc1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000390829779 467412509 /nfs/dbraw/zinc/41/25/09/467412509.db2.gz GOTGFNMZIUHJAR-ZDUSSCGKSA-N 0 0 340.383 2.029 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)Nc2ncccc2Cl)cs1 ZINC000390833031 467413847 /nfs/dbraw/zinc/41/38/47/467413847.db2.gz AVRGYHWXZHSBPC-UHFFFAOYSA-N 0 0 332.790 2.384 40 0 EEABRN CC1([C@H]2CCCN(C(=O)NCc3ccc4c(c3)COC4)C2)OCCO1 ZINC000390834235 467414023 /nfs/dbraw/zinc/41/40/23/467414023.db2.gz UZDBXFAGMHJKSX-KRWDZBQOSA-N 0 0 346.427 2.401 40 0 EEABRN CCCCCn1nc(-c2nnc3n2CCOC3)c2ccccc2c1=O ZINC000515170980 467977274 /nfs/dbraw/zinc/97/72/74/467977274.db2.gz BIVCCRATUGRVEL-UHFFFAOYSA-N 0 0 339.399 2.375 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 ZINC000575404401 468141735 /nfs/dbraw/zinc/14/17/35/468141735.db2.gz LYCZPULROVWYKR-OLMNPRSZSA-N 0 0 325.412 2.467 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575604860 468145885 /nfs/dbraw/zinc/14/58/85/468145885.db2.gz CIYLXCOJLJCIBB-LLVKDONJSA-N 0 0 348.790 2.290 40 0 EEABRN O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCC1 ZINC000575615554 468149754 /nfs/dbraw/zinc/14/97/54/468149754.db2.gz DZYYVJLBFGJYNH-UHFFFAOYSA-N 0 0 328.338 2.381 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C ZINC000585096782 468964251 /nfs/dbraw/zinc/96/42/51/468964251.db2.gz AJORPIGIZRXFCO-AWEZNQCLSA-N 0 0 346.475 2.434 40 0 EEABRN Cc1cccc(C(=O)N2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)c1 ZINC000585096601 468964669 /nfs/dbraw/zinc/96/46/69/468964669.db2.gz VNJPNSFIOJMKFS-CQSZACIVSA-N 0 0 340.427 2.039 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)CC2=CCCCC2)C1 ZINC000585099242 468967077 /nfs/dbraw/zinc/96/70/77/468967077.db2.gz XZOUFMLLCDXCPW-MRXNPFEDSA-N 0 0 329.444 2.473 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cccs1)C2 ZINC000585103573 468970116 /nfs/dbraw/zinc/97/01/16/468970116.db2.gz XWOUFGYGNYGWTJ-SUMWQHHRSA-N 0 0 336.457 2.143 40 0 EEABRN CO[C@@H]1CO[C@@]2(C1)CCCN(C(=O)Cc1cccc(F)c1F)C2 ZINC000585103068 468970842 /nfs/dbraw/zinc/97/08/42/468970842.db2.gz PMVQLUGWMTVFHU-SUMWQHHRSA-N 0 0 325.355 2.304 40 0 EEABRN CC(C)N1C[C@]2(CC1=O)COCCN(Cc1cc(F)ccc1F)C2 ZINC000585104144 468971657 /nfs/dbraw/zinc/97/16/57/468971657.db2.gz JMSJCVJYPNIAMS-GOSISDBHSA-N 0 0 338.398 2.424 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@H](Oc2ncccc2F)CS3)cn1 ZINC000585105531 468972438 /nfs/dbraw/zinc/97/24/38/468972438.db2.gz ZAENTLRVDUDLGJ-ZDUSSCGKSA-N 0 0 334.420 2.093 40 0 EEABRN Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnc(F)c1)C2 ZINC000585110995 468975469 /nfs/dbraw/zinc/97/54/69/468975469.db2.gz PAEWXHZFNZHLFE-OAHLLOKOSA-N 0 0 344.390 2.120 40 0 EEABRN CN1CCCC[C@@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)C1=O ZINC000585140752 468989642 /nfs/dbraw/zinc/98/96/42/468989642.db2.gz KJTRUTKDPHULRS-VQIMIIECSA-N 0 0 330.428 2.019 40 0 EEABRN Cc1ccc(S(=O)(=O)NCC2CCN(CC(F)F)CC2)cc1 ZINC000585142045 468991628 /nfs/dbraw/zinc/99/16/28/468991628.db2.gz NEZQIBKPUMYBDG-UHFFFAOYSA-N 0 0 332.416 2.250 40 0 EEABRN COCc1cn([C@H]2CCN(C(=O)c3ccc(Cl)s3)C2)nn1 ZINC000585149729 468994080 /nfs/dbraw/zinc/99/40/80/468994080.db2.gz UBIVLJOUFLFPCN-JTQLQIEISA-N 0 0 326.809 2.227 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)[C@H]1Cc1ccccc1 ZINC000585275343 468999202 /nfs/dbraw/zinc/99/92/02/468999202.db2.gz ATGVWVVLFIESNB-HOTGVXAUSA-N 0 0 327.384 2.045 40 0 EEABRN CO[C@@H]1CCN(C(=O)CN2CCCC2=O)C[C@H]1Cc1ccc(C)cc1 ZINC000585276396 469000960 /nfs/dbraw/zinc/00/09/60/469000960.db2.gz JIHKSZKRCZGMFI-QZTJIDSGSA-N 0 0 344.455 2.023 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@](O)(COc3ccc(C)cc3)C2)c1C ZINC000585277937 469003468 /nfs/dbraw/zinc/00/34/68/469003468.db2.gz XZOJVANGGAIXPT-LJQANCHMSA-N 0 0 343.427 2.245 40 0 EEABRN CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N(C)Cc1cccc(C)c1 ZINC000585280206 469006285 /nfs/dbraw/zinc/00/62/85/469006285.db2.gz CHZLSJCPTRDJIQ-QZTJIDSGSA-N 0 0 332.444 2.227 40 0 EEABRN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000659799073 471746254 /nfs/dbraw/zinc/74/62/54/471746254.db2.gz WPVACIPRSXZPAC-SCVCMEIPSA-N 0 0 347.337 2.491 40 0 EEABRN CCN(C(=O)C1CN(c2cc(-n3cccn3)ncn2)C1)c1ccccc1 ZINC000390827120 485667986 /nfs/dbraw/zinc/66/79/86/485667986.db2.gz UNRNJAJGTUCJNQ-UHFFFAOYSA-N 0 0 348.410 2.152 40 0 EEABRN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)cs1 ZINC000682610224 486517195 /nfs/dbraw/zinc/51/71/95/486517195.db2.gz IIPPIYAYSOMPNL-ZOFUNIGCSA-N 0 0 343.246 2.237 40 0 EEABRN CC(C)c1noc(NC2CCN(S(=O)(=O)C(C)(C)C)CC2)n1 ZINC000683141326 486621699 /nfs/dbraw/zinc/62/16/99/486621699.db2.gz FCZZBUCGMWEFGB-UHFFFAOYSA-N 0 0 330.454 2.198 40 0 EEABRN COCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 ZINC000012157495 523889677 /nfs/dbraw/zinc/88/96/77/523889677.db2.gz LGNLOPJZEPGGKX-MRXNPFEDSA-N 0 0 346.427 2.129 40 0 EEABRN O=C(NCc1ccc(F)c(CO)c1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000095434765 526666719 /nfs/dbraw/zinc/66/67/19/526666719.db2.gz KGANNEGWPZQKDE-LBPRGKRZSA-N 0 0 348.340 2.209 40 0 EEABRN CC(C)CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941221 528052561 /nfs/dbraw/zinc/05/25/61/528052561.db2.gz MTCIVVHCKGACRR-LLVKDONJSA-N 0 0 332.853 2.267 40 0 EEABRN CCNC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000113940199 528216287 /nfs/dbraw/zinc/21/62/87/528216287.db2.gz CATRQEBVHIFWPO-QMMMGPOBSA-N 0 0 339.244 2.284 40 0 EEABRN CCn1nc(C)c(NC(=O)COc2cccc3c2NC(=O)CC3)c1C ZINC000227150831 536140965 /nfs/dbraw/zinc/14/09/65/536140965.db2.gz QWTPEVGTGSSCMQ-UHFFFAOYSA-N 0 0 342.399 2.422 40 0 EEABRN COc1ccc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000225875090 536641470 /nfs/dbraw/zinc/64/14/70/536641470.db2.gz FVWVXSDOMBJMHT-UHFFFAOYSA-N 0 0 338.363 2.344 40 0 EEABRN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000225750605 536802478 /nfs/dbraw/zinc/80/24/78/536802478.db2.gz CAYWWBFBTGMYHQ-MRXNPFEDSA-N 0 0 348.424 2.266 40 0 EEABRN COc1ccc([C@H]2CNCCN2S(=O)(=O)c2cccs2)cc1 ZINC000257225483 536945135 /nfs/dbraw/zinc/94/51/35/536945135.db2.gz FGJIOMOYWRHKEU-CQSZACIVSA-N 0 0 338.454 2.092 40 0 EEABRN NC(=O)c1ccc(N2CCC[C@H]2c2cncc(Br)c2)nn1 ZINC000895707390 684691022 /nfs/dbraw/zinc/69/10/22/684691022.db2.gz CDEWRUIHUJNUOP-LBPRGKRZSA-N 0 0 348.204 2.075 40 0 EEABRN O=C(NCc1cccc2c1OCCO2)Nc1cnc2c(c1)COCC2 ZINC000930747804 1206579567 /nfs/dbraw/zinc/57/95/67/1206579567.db2.gz GJRBOTUZTSHETI-UHFFFAOYSA-N 0 0 341.367 2.247 40 0 EEABRN COc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000096184280 1357932143 /nfs/dbraw/zinc/93/21/43/1357932143.db2.gz YUYFSPIWZVUVDM-HOTGVXAUSA-N 0 0 329.425 2.055 40 0 EEABRN Cn1cc(C2=CCCN(S(=O)(=O)CCc3cccc(F)c3)C2)cn1 ZINC000907361825 784563459 /nfs/dbraw/zinc/56/34/59/784563459.db2.gz OYOMJJLGIBNIMQ-UHFFFAOYSA-N 0 0 349.431 2.221 40 0 EEABRN Cn1nccc1S(=O)(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000907530386 784695503 /nfs/dbraw/zinc/69/55/03/784695503.db2.gz VDJOROYSLQCBSY-QGZVFWFLSA-N 0 0 345.424 2.049 40 0 EEABRN O=C(N[C@H]1CC12CCOCC2)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001548451740 1124293923 /nfs/dbraw/zinc/29/39/23/1124293923.db2.gz AZJRCLDLOHJNQK-UWVAXJGDSA-N 0 0 342.439 2.165 40 0 EEABRN O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000056991309 214399529 /nfs/dbraw/zinc/39/95/29/214399529.db2.gz ZGKPZZRSZSTIAU-UHFFFAOYSA-N 0 0 342.424 2.256 40 0 EEABRN COc1ccc(NC(=O)C[C@H]([NH2+]CCc2ccccc2)C(=O)[O-])cc1 ZINC000004280020 210159265 /nfs/dbraw/zinc/15/92/65/210159265.db2.gz JKMCMQQZLQJKQC-KRWDZBQOSA-N 0 0 342.395 2.309 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000009908742 201789889 /nfs/dbraw/zinc/78/98/89/201789889.db2.gz FVZRTLDRLPQMGO-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN CC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 ZINC000019016937 201998523 /nfs/dbraw/zinc/99/85/23/201998523.db2.gz VSBMCQCOTJOLOR-GFCCVEGCSA-N 0 0 330.363 2.035 40 0 EEABRN CC(C)c1cn(CC(=O)N(C)C[C@@H]2OCCc3ccccc32)nn1 ZINC000019453407 202008236 /nfs/dbraw/zinc/00/82/36/202008236.db2.gz CUOMNGDOABLKOG-KRWDZBQOSA-N 0 0 328.416 2.174 40 0 EEABRN COCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019594292 202015688 /nfs/dbraw/zinc/01/56/88/202015688.db2.gz RJZLFWBUOZMHDQ-GFCCVEGCSA-N 0 0 345.374 2.075 40 0 EEABRN O=C(NCC[C@H]1CCCCN1C(=O)c1cc[nH]n1)c1ccccc1 ZINC000019749046 202019795 /nfs/dbraw/zinc/01/97/95/202019795.db2.gz RRRIMQLZUWPVBD-OAHLLOKOSA-N 0 0 326.400 2.225 40 0 EEABRN COc1ccc(CNC2(Cc3cc(C(C)(C)O)on3)COC2)cc1 ZINC000067897897 202038296 /nfs/dbraw/zinc/03/82/96/202038296.db2.gz OTVONWCXSPYREU-UHFFFAOYSA-N 0 0 332.400 2.012 40 0 biogenic,in-vitro EEABRN COc1ccc(O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000023239229 202100610 /nfs/dbraw/zinc/10/06/10/202100610.db2.gz CESZLLMHEQFYIX-CZUORRHYSA-N 0 0 343.379 2.419 40 0 EEABRN COc1ccc(CCNC(=O)COc2cc(OC)cc(OC)c2)cc1 ZINC000023258294 202101657 /nfs/dbraw/zinc/10/16/57/202101657.db2.gz TZEGRFPTWCHDNF-UHFFFAOYSA-N 0 0 345.395 2.450 40 0 EEABRN O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073434 202167844 /nfs/dbraw/zinc/16/78/44/202167844.db2.gz MKERJZHBJBIRHG-JTQLQIEISA-N 0 0 334.725 2.367 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000096473503 237059942 /nfs/dbraw/zinc/05/99/42/237059942.db2.gz XOJWJYJSJUPBTK-CYBMUJFWSA-N 0 0 339.403 2.168 40 0 EEABRN Cn1nc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1OC(F)F ZINC000189656334 237110284 /nfs/dbraw/zinc/11/02/84/237110284.db2.gz YORIKGJGXFRELE-SNVBAGLBSA-N 0 0 341.318 2.162 40 0 EEABRN O=C(NCCc1ccccc1)NCC1CCN(c2cnccn2)CC1 ZINC000070930712 202337402 /nfs/dbraw/zinc/33/74/02/202337402.db2.gz CNGPLFRNVCPYOM-UHFFFAOYSA-N 0 0 339.443 2.235 40 0 EEABRN CCOC(=O)c1ccc(N2CCCN(Cc3ncc(C)o3)CC2)nc1 ZINC000072585204 202365348 /nfs/dbraw/zinc/36/53/48/202365348.db2.gz OTHKLDABJAPBEX-UHFFFAOYSA-N 0 0 344.415 2.267 40 0 EEABRN Cn1cc(C[C@@H]2CC(=O)N(Cc3ccccc3OC(F)F)C2=O)cn1 ZINC000072675316 202367729 /nfs/dbraw/zinc/36/77/29/202367729.db2.gz DBWYTPUNWGQDNF-CYBMUJFWSA-N 0 0 349.337 2.139 40 0 EEABRN O=S(=O)(N[C@H]1CCC[C@@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075156912 202376588 /nfs/dbraw/zinc/37/65/88/202376588.db2.gz XAMVOCCBTLSBGK-VHSXEESVSA-N 0 0 339.335 2.167 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000075391048 202381651 /nfs/dbraw/zinc/38/16/51/202381651.db2.gz KLJSUJKMXDVTOL-VIFPVBQESA-N 0 0 349.287 2.333 40 0 EEABRN CCCS(=O)(=O)CC(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000073304414 202370367 /nfs/dbraw/zinc/37/03/67/202370367.db2.gz PHJHHMAEPVEOQC-UHFFFAOYSA-N 0 0 336.457 2.074 40 0 EEABRN C[C@@H]1CN(Cc2cccc(NC(=O)c3cnccn3)c2)C[C@@H](C)O1 ZINC000078152826 202394193 /nfs/dbraw/zinc/39/41/93/202394193.db2.gz KYSMPISUMPOWEA-ZIAGYGMSSA-N 0 0 326.400 2.338 40 0 EEABRN CC(C)NC(=O)C1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000077955705 202394831 /nfs/dbraw/zinc/39/48/31/202394831.db2.gz WVUCPPBJLZNYSZ-UHFFFAOYSA-N 0 0 327.428 2.468 40 0 EEABRN COc1ccsc1C(=O)NCCNC(=O)c1ccc(F)cc1F ZINC000078557077 202397791 /nfs/dbraw/zinc/39/77/91/202397791.db2.gz BUPWZOLEVXQXTJ-UHFFFAOYSA-N 0 0 340.351 2.195 40 0 EEABRN CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc2c1OCCO2 ZINC000078611442 202398488 /nfs/dbraw/zinc/39/84/88/202398488.db2.gz IHZFCGHPQIMBFW-HNNXBMFYSA-N 0 0 346.427 2.255 40 0 EEABRN O=C1N(c2ccccc2)C[C@H]2CN(Cc3ccncc3F)CCN12 ZINC000077266548 202391765 /nfs/dbraw/zinc/39/17/65/202391765.db2.gz PLKWOIQMMYFXJM-MRXNPFEDSA-N 0 0 326.375 2.347 40 0 biogenic,in-vitro EEABRN CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000077747710 202392506 /nfs/dbraw/zinc/39/25/06/202392506.db2.gz ZAMVVJQMNOTDPE-DZGCQCFKSA-N 0 0 333.432 2.282 40 0 EEABRN O=S(=O)(C[C@@H]1CCCCO1)NCCc1nc2ccccc2s1 ZINC000080651293 202469961 /nfs/dbraw/zinc/46/99/61/202469961.db2.gz OALJGSWQRXEHOI-LBPRGKRZSA-N 0 0 340.470 2.327 40 0 EEABRN CC(=O)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1C ZINC000013999756 201057636 /nfs/dbraw/zinc/05/76/36/201057636.db2.gz HMTKSLGJCYTGKU-UHFFFAOYSA-N 0 0 336.347 2.171 40 0 EEABRN CCn1cc([C@@H]2CN(Cc3ncn(-c4ccccc4)n3)CCO2)cn1 ZINC000190831840 238757156 /nfs/dbraw/zinc/75/71/56/238757156.db2.gz LCSAEQAIUJMSKJ-KRWDZBQOSA-N 0 0 338.415 2.057 40 0 EEABRN CC(C)N1CCN(C(=O)c2ccnc(OCC3CCOCC3)c2)CC1 ZINC000253473486 201188031 /nfs/dbraw/zinc/18/80/31/201188031.db2.gz VITNVVFPCYPNTR-UHFFFAOYSA-N 0 0 347.459 2.053 40 0 EEABRN Cc1noc([C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2c2ccccc2)n1 ZINC000253473378 201187315 /nfs/dbraw/zinc/18/73/15/201187315.db2.gz UMGCXMCMQQGEFK-ARFHVFGLSA-N 0 0 327.384 2.124 40 0 EEABRN COc1ccc(CN2CCCN(C(=O)c3c[nH]c(C)n3)CC2)cc1 ZINC000264771321 201213015 /nfs/dbraw/zinc/21/30/15/201213015.db2.gz VKTQJOUIJOZJDI-UHFFFAOYSA-N 0 0 328.416 2.075 40 0 EEABRN C[C@H](CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000043701061 202515365 /nfs/dbraw/zinc/51/53/65/202515365.db2.gz JSMORLDWBMPJHE-OIISXLGYSA-N 0 0 340.423 2.248 40 0 EEABRN Cc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2[C@H]2CCCO2)on1 ZINC000019123645 541304696 /nfs/dbraw/zinc/30/46/96/541304696.db2.gz ZMTJOFJMUYDZFZ-TZMCWYRMSA-N 0 0 330.388 2.253 40 0 EEABRN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000096467017 299339218 /nfs/dbraw/zinc/33/92/18/299339218.db2.gz SEFVSPBQKZWYGK-ZANVPECISA-N 0 0 348.415 2.106 40 0 EEABRN CC(C)N(CC1CCC1)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000193843274 240332404 /nfs/dbraw/zinc/33/24/04/240332404.db2.gz GXHKJHCHUHMGTG-OAHLLOKOSA-N 0 0 347.463 2.136 40 0 EEABRN CN(C)c1noc(C2CCN(C(=O)c3ccncc3Cl)CC2)n1 ZINC000193956377 240375780 /nfs/dbraw/zinc/37/57/80/240375780.db2.gz ORDVVHUIQUENGC-UHFFFAOYSA-N 0 0 335.795 2.204 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]([NH2+]C[C@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000000195694 201446365 /nfs/dbraw/zinc/44/63/65/201446365.db2.gz VKMIWJQQHDJFNJ-OCCSQVGLSA-N 0 0 340.807 2.199 40 0 EEABRN CCOC(=O)C(=O)c1cc(Br)ncc1Br ZINC000199816092 241040738 /nfs/dbraw/zinc/04/07/38/241040738.db2.gz LVVSLKDDLRADTA-UHFFFAOYSA-N 0 0 336.967 2.352 40 0 EEABRN Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2N2CCOCC2)cc1 ZINC000216745119 241208950 /nfs/dbraw/zinc/20/89/50/241208950.db2.gz RVPOIYMMYVHYHJ-UHFFFAOYSA-N 0 0 347.440 2.215 40 0 EEABRN Cc1ccccc1[C@H]1CCN(C(=O)Cn2ncccc2=O)CCS1 ZINC000219289597 241375134 /nfs/dbraw/zinc/37/51/34/241375134.db2.gz MUAGJZUBZUMVQF-MRXNPFEDSA-N 0 0 343.452 2.259 40 0 EEABRN Cn1cc(C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)nn1 ZINC000219324069 241378919 /nfs/dbraw/zinc/37/89/19/241378919.db2.gz VORVDDUFEVSLJC-CQSZACIVSA-N 0 0 338.383 2.414 40 0 EEABRN CC(C)[C@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000225191552 241808591 /nfs/dbraw/zinc/80/85/91/241808591.db2.gz ZTBXDNUYPOVSGS-NSHDSACASA-N 0 0 332.853 2.267 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F ZINC000225211269 241809998 /nfs/dbraw/zinc/80/99/98/241809998.db2.gz ADXCWIDWXIUMHI-CQSZACIVSA-N 0 0 344.386 2.368 40 0 EEABRN Cc1cc(N2CCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000225909430 242075787 /nfs/dbraw/zinc/07/57/87/242075787.db2.gz IIGXDIJJNWUCIS-CYBMUJFWSA-N 0 0 335.477 2.241 40 0 EEABRN CC(C)CCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225952489 242078899 /nfs/dbraw/zinc/07/88/99/242078899.db2.gz KVHQWNPEVDBWAG-AWEZNQCLSA-N 0 0 346.880 2.483 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)C)cc1 ZINC000226052029 242087993 /nfs/dbraw/zinc/08/79/93/242087993.db2.gz BKKBHARTOSVVTP-UHFFFAOYSA-N 0 0 340.489 2.468 40 0 EEABRN CC1(C)CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCS1 ZINC000240894833 242981094 /nfs/dbraw/zinc/98/10/94/242981094.db2.gz IQGDJOFJRSTEQZ-CQSZACIVSA-N 0 0 349.504 2.373 40 0 EEABRN CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000247957571 243490573 /nfs/dbraw/zinc/49/05/73/243490573.db2.gz PENSLWCKIDPBMX-ZDUSSCGKSA-N 0 0 340.408 2.041 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)s1 ZINC000248028795 243504006 /nfs/dbraw/zinc/50/40/06/243504006.db2.gz OUVAMUWWDGWUHC-AWEZNQCLSA-N 0 0 332.429 2.196 40 0 EEABRN CC[C@@H](C(=O)NCc1ccc(C(C)=O)c(C)n1)N1CCO[C@@H](CC)C1 ZINC000252509338 243839364 /nfs/dbraw/zinc/83/93/64/243839364.db2.gz YLMHAPCOWZWDSA-WMZOPIPTSA-N 0 0 347.459 2.098 40 0 EEABRN COc1cc(N2CCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)ccc1F ZINC000252490474 243796767 /nfs/dbraw/zinc/79/67/67/243796767.db2.gz KUPYAVFMQHYSRT-GFCCVEGCSA-N 0 0 347.394 2.150 40 0 EEABRN COc1ccccc1CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)C1CC1 ZINC000253405847 243914286 /nfs/dbraw/zinc/91/42/86/243914286.db2.gz RUGZFQXUFWASDX-UHFFFAOYSA-N 0 0 338.367 2.065 40 0 EEABRN c1ccc(CCN2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cc1 ZINC000253588534 244027054 /nfs/dbraw/zinc/02/70/54/244027054.db2.gz GWGKZVFPIIOPTB-QGZVFWFLSA-N 0 0 325.412 2.332 40 0 EEABRN COc1ccc([C@]2(Cc3ccc(Cl)cc3)NC(N)=NC2=O)cc1 ZINC000071974390 203154936 /nfs/dbraw/zinc/15/49/36/203154936.db2.gz NAUCVKXIYRBOFT-KRWDZBQOSA-N 0 0 329.787 2.231 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n1 ZINC000257208402 244142178 /nfs/dbraw/zinc/14/21/78/244142178.db2.gz BMAICBMJSJYEAR-AWEZNQCLSA-N 0 0 347.802 2.287 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)n1 ZINC000257208948 244144508 /nfs/dbraw/zinc/14/45/08/244144508.db2.gz BOFCMDXGONIYGG-JTQLQIEISA-N 0 0 327.310 2.297 40 0 EEABRN NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000072056716 203160632 /nfs/dbraw/zinc/16/06/32/203160632.db2.gz LYMQREIOZNKMJB-HOTGVXAUSA-N 0 0 348.399 2.356 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2cccnc2)CCN1C(C)=O ZINC000257225907 244201064 /nfs/dbraw/zinc/20/10/64/244201064.db2.gz FIHZBEKREAAJGP-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN COCCC(=O)N1CCC[C@](C)(c2ccc3c(C)nn(C)c3n2)C1 ZINC000257246745 244258304 /nfs/dbraw/zinc/25/83/04/244258304.db2.gz IVQDMIQFFXLCQA-SFHVURJKSA-N 0 0 330.432 2.193 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000257244106 244252415 /nfs/dbraw/zinc/25/24/15/244252415.db2.gz IJVUSVCTYFKLPQ-ZDUSSCGKSA-N 0 0 345.403 2.152 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2nc(C)cc(C)n2)C1 ZINC000257234713 244222838 /nfs/dbraw/zinc/22/28/38/244222838.db2.gz GUVHYQUFLIJLJQ-INIZCTEOSA-N 0 0 344.415 2.231 40 0 EEABRN C[C@H]1CCCCN1C(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335244 203202319 /nfs/dbraw/zinc/20/23/19/203202319.db2.gz RQCUOAJFODVQQS-NSHDSACASA-N 0 0 330.413 2.112 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340039 203203069 /nfs/dbraw/zinc/20/30/69/203203069.db2.gz QIXYPUYCCNICBG-UHFFFAOYSA-N 0 0 331.347 2.210 40 0 EEABRN O=C(CO)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359083 203204646 /nfs/dbraw/zinc/20/46/46/203204646.db2.gz RAXNTDQXRYGEPV-CYBMUJFWSA-N 0 0 331.803 2.495 40 0 EEABRN CCC(=O)N1CCC(Cc2cncc(Nc3ncccn3)n2)CC1 ZINC000072363589 203205741 /nfs/dbraw/zinc/20/57/41/203205741.db2.gz VEODRVHTNACPLB-UHFFFAOYSA-N 0 0 326.404 2.201 40 0 EEABRN COCCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 ZINC000072362413 203206133 /nfs/dbraw/zinc/20/61/33/203206133.db2.gz AKYPQIAXWGOZTM-UHFFFAOYSA-N 0 0 341.415 2.358 40 0 EEABRN NC(=O)CN1CCC(c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC000072361866 203206268 /nfs/dbraw/zinc/20/62/68/203206268.db2.gz BYXDHGPOZTYJSO-UHFFFAOYSA-N 0 0 330.363 2.073 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257241844 244245326 /nfs/dbraw/zinc/24/53/26/244245326.db2.gz HZWDWICPEZSCJJ-KRWDZBQOSA-N 0 0 329.375 2.457 40 0 EEABRN O=C([O-])c1ccccc1C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257242950 244247006 /nfs/dbraw/zinc/24/70/06/244247006.db2.gz IEWOXWJYEYGZLG-IAGOWNOFSA-N 0 0 331.343 2.148 40 0 EEABRN Cn1ccnc1-c1nccnc1C[C@@H]1CCN(Cc2cscn2)C1 ZINC000257246999 244261345 /nfs/dbraw/zinc/26/13/45/244261345.db2.gz IWXHCUSEPBXCGH-ZDUSSCGKSA-N 0 0 340.456 2.398 40 0 EEABRN COc1cccc(Cc2cnc([C@H]3CCN(S(C)(=O)=O)C3)o2)c1 ZINC000257251179 244267890 /nfs/dbraw/zinc/26/78/90/244267890.db2.gz JPSZWQCUTVDJRS-ZDUSSCGKSA-N 0 0 336.413 2.023 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)nc(C)n1 ZINC000257250384 244267907 /nfs/dbraw/zinc/26/79/07/244267907.db2.gz JMICPJAREWSZRU-HNNXBMFYSA-N 0 0 343.431 2.328 40 0 EEABRN O=C(NCC1CCOCC1)c1cccn(Cc2ccccc2F)c1=O ZINC000257254611 244277671 /nfs/dbraw/zinc/27/76/71/244277671.db2.gz KDXCVCBRTQWACK-UHFFFAOYSA-N 0 0 344.386 2.192 40 0 EEABRN CO[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@@]12CCCO2 ZINC000257267545 244366113 /nfs/dbraw/zinc/36/61/13/244366113.db2.gz MHSMQJRWZCNMHI-LPHOPBHVSA-N 0 0 343.427 2.292 40 0 EEABRN CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CCN2C)cc1 ZINC000257270358 244373486 /nfs/dbraw/zinc/37/34/86/244373486.db2.gz MTWOIBFNPWILSC-SFHVURJKSA-N 0 0 342.443 2.336 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257270957 244376584 /nfs/dbraw/zinc/37/65/84/244376584.db2.gz MWHNXMQQFAJTEG-UHFFFAOYSA-N 0 0 347.382 2.020 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cnc(-c3ccnn3C(C)C)cn2)C1 ZINC000257270821 244377889 /nfs/dbraw/zinc/37/78/89/244377889.db2.gz MVUARTITKNXCAO-CQSZACIVSA-N 0 0 343.431 2.273 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccnc(C)n1 ZINC000257259633 244345849 /nfs/dbraw/zinc/34/58/49/244345849.db2.gz KZGVXYGVEAXYHF-GOSISDBHSA-N 0 0 340.427 2.199 40 0 EEABRN O=C(NCCO)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257272954 244384084 /nfs/dbraw/zinc/38/40/84/244384084.db2.gz NEOWZYKCZVMXJD-UHFFFAOYSA-N 0 0 340.423 2.196 40 0 EEABRN COc1ccc(C2(C(=O)N3CCO[C@H](c4cnccn4)C3)CC2)cc1 ZINC000257274207 244387761 /nfs/dbraw/zinc/38/77/61/244387761.db2.gz NJZKNSKXFBPMIH-KRWDZBQOSA-N 0 0 339.395 2.117 40 0 EEABRN Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000257291775 244437844 /nfs/dbraw/zinc/43/78/44/244437844.db2.gz QIOKVLWOTYACSI-OAHLLOKOSA-N 0 0 348.410 2.292 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257295216 244445971 /nfs/dbraw/zinc/44/59/71/244445971.db2.gz QXLYFJRTUZWGRP-CQSZACIVSA-N 0 0 338.411 2.394 40 0 EEABRN CN1C[C@@H](C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)CC1=O ZINC000257317347 244507042 /nfs/dbraw/zinc/50/70/42/244507042.db2.gz VJKBWSHNJPAISM-JTQLQIEISA-N 0 0 341.864 2.155 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@@H]2[C@@H](Cc3ncccn3)CC[C@@H]2C1 ZINC000257323819 244527507 /nfs/dbraw/zinc/52/75/07/244527507.db2.gz WLYMFTFFCUHVGT-BFYDXBDKSA-N 0 0 343.452 2.366 40 0 EEABRN COc1cccc(C(=O)N2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)c1 ZINC000096187067 203854879 /nfs/dbraw/zinc/85/48/79/203854879.db2.gz WGEGRLFFARRMLH-SQNIBIBYSA-N 0 0 331.412 2.494 40 0 EEABRN O=C(c1ccnnc1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096200165 203861395 /nfs/dbraw/zinc/86/13/95/203861395.db2.gz NCQXVRDFYNRRII-ZWKOTPCHSA-N 0 0 338.411 2.124 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)s1 ZINC000096216226 203870957 /nfs/dbraw/zinc/87/09/57/203870957.db2.gz CUEGFZKUKQHMPG-RDTXWAMCSA-N 0 0 348.468 2.443 40 0 EEABRN O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc(Cl)cc1)NN2Cc1ccccc1 ZINC000100779206 203997415 /nfs/dbraw/zinc/99/74/15/203997415.db2.gz WRLFSMGBFQIJLX-OWCLPIDISA-N 0 0 341.798 2.043 40 0 EEABRN C[C@]1(C(=O)Nc2nnc(C3CC3)s2)Oc2ccccc2NC1=O ZINC000041545579 204046025 /nfs/dbraw/zinc/04/60/25/204046025.db2.gz UPTUYOVBPRMWEU-HNNXBMFYSA-N 0 0 330.369 2.144 40 0 EEABRN O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000042646644 204117960 /nfs/dbraw/zinc/11/79/60/204117960.db2.gz MDJBCKVQJJNAMP-UHFFFAOYSA-N 0 0 332.743 2.324 40 0 EEABRN O=C(c1cncc(F)c1)N1CCC[C@]2(CCN(CC3CC3)C2=O)CC1 ZINC000108529009 204266437 /nfs/dbraw/zinc/26/64/37/204266437.db2.gz VVCXDZJJELSNKT-LJQANCHMSA-N 0 0 345.418 2.476 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)o1 ZINC000108535111 204267285 /nfs/dbraw/zinc/26/72/85/204267285.db2.gz GLKLWDBXKMYQOX-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN Cc1nc(COc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)no1 ZINC000044894188 204308718 /nfs/dbraw/zinc/30/87/18/204308718.db2.gz CTSPOGNXJZPJKX-VXGBXAGGSA-N 0 0 331.372 2.206 40 0 EEABRN CNC(=O)c1cc(Cl)c(I)cc1OC ZINC000046116592 204335063 /nfs/dbraw/zinc/33/50/63/204335063.db2.gz BNALPUWFXHSLKG-UHFFFAOYSA-N 0 0 325.533 2.313 40 0 EEABRN CN(C)c1cccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000049026562 204361949 /nfs/dbraw/zinc/36/19/49/204361949.db2.gz FBLKTCWYXYKHOC-GOEBONIOSA-N 0 0 337.423 2.174 40 0 EEABRN CC1(C)CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)c2ccccc21 ZINC000079298116 217203910 /nfs/dbraw/zinc/20/39/10/217203910.db2.gz QOAWUOOCDUVJGF-HNNXBMFYSA-N 0 0 343.427 2.247 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246658096 205220984 /nfs/dbraw/zinc/22/09/84/205220984.db2.gz UHEJGMXBKQGPMG-RYQLBKOJSA-N 0 0 344.455 2.248 40 0 EEABRN CC(C)c1nnc(CCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)o1 ZINC000131153669 205275842 /nfs/dbraw/zinc/27/58/42/205275842.db2.gz JFFUKYZVIZGINN-CQSZACIVSA-N 0 0 343.431 2.306 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000134402728 205404869 /nfs/dbraw/zinc/40/48/69/205404869.db2.gz YFNIKLLBWNKASQ-FZMZJTMJSA-N 0 0 346.349 2.387 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Cl ZINC000156777787 206098086 /nfs/dbraw/zinc/09/80/86/206098086.db2.gz PGQKTHAKXVYLAD-UHFFFAOYSA-N 0 0 329.761 2.198 40 0 EEABRN C[C@H]1CN(c2ccc(CNc3ncnc(N)c3Cl)cn2)C[C@H](C)O1 ZINC000302804222 206497581 /nfs/dbraw/zinc/49/75/81/206497581.db2.gz VVNXPSODMPFKPW-QWRGUYRKSA-N 0 0 348.838 2.333 40 0 EEABRN O=C(c1cc(Cl)ccn1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096413663 284611887 /nfs/dbraw/zinc/61/18/87/284611887.db2.gz WFVHLUCDWJHMDA-UHFFFAOYSA-N 0 0 331.685 2.001 40 0 EEABRN Nc1nnnn1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000007601447 206524761 /nfs/dbraw/zinc/52/47/61/206524761.db2.gz PAAXSOBISOGBOD-UHFFFAOYSA-N 0 0 335.165 2.022 40 0 EEABRN CN(CC(=O)Nc1ccccc1Cl)C(=O)C(F)(F)C1(O)CCC1 ZINC000095448469 218392831 /nfs/dbraw/zinc/39/28/31/218392831.db2.gz PVPXRHNAORXCMW-UHFFFAOYSA-N 0 0 346.761 2.287 40 0 EEABRN Cc1cnn(CCCNC(=O)c2ccc(Br)c(O)c2)c1 ZINC000095449254 218392975 /nfs/dbraw/zinc/39/29/75/218392975.db2.gz BTBFKOPPKGJGGG-UHFFFAOYSA-N 0 0 338.205 2.480 40 0 EEABRN COC[C@@H](C)N1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)CC1=O ZINC000012383449 207132317 /nfs/dbraw/zinc/13/23/17/207132317.db2.gz SIJTZNZJTQHLBT-ZMSDIMECSA-N 0 0 332.444 2.007 40 0 EEABRN CN(C)Cc1nn(C)c2c1CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096255882 218725501 /nfs/dbraw/zinc/72/55/01/218725501.db2.gz FQSKEUYWVPKMRD-UHFFFAOYSA-N 0 0 331.395 2.211 40 0 EEABRN Cc1ccc2cccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)c2n1 ZINC000096380043 218746520 /nfs/dbraw/zinc/74/65/20/218746520.db2.gz SLVJLIRAZFLUEB-UHFFFAOYSA-N 0 0 346.452 2.438 40 0 EEABRN Cc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404371 218754166 /nfs/dbraw/zinc/75/41/66/218754166.db2.gz NVVVDMMFSGCYLY-RKNYENMMSA-N 0 0 344.436 2.370 40 0 EEABRN O=C1c2cccnc2S(=O)(=O)N1c1ccc(Br)cc1 ZINC000001652334 285027248 /nfs/dbraw/zinc/02/72/48/285027248.db2.gz XECDXJIOEYOFGS-UHFFFAOYSA-N 0 0 339.170 2.193 40 0 EEABRN CC[C@@H]1CCCN(C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000180649992 207815079 /nfs/dbraw/zinc/81/50/79/207815079.db2.gz FPNFAKSAKSZTJK-CABCVRRESA-N 0 0 326.437 2.130 40 0 EEABRN O=C(Nc1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1 ZINC000096422018 218789254 /nfs/dbraw/zinc/78/92/54/218789254.db2.gz RZVJXGXYDHAWMC-UHFFFAOYSA-N 0 0 349.398 2.016 40 0 EEABRN O=C(CC[C@H]1CCCO1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000096423043 218790075 /nfs/dbraw/zinc/79/00/75/218790075.db2.gz JNKSHUZEOAXLOH-CYBMUJFWSA-N 0 0 346.456 2.299 40 0 EEABRN Cc1sc(=O)n(CCC(=O)N[C@@H](C)CCc2cccn2C)c1C ZINC000096425733 218794391 /nfs/dbraw/zinc/79/43/91/218794391.db2.gz DUVZMVNIYFXRPC-LBPRGKRZSA-N 0 0 335.473 2.393 40 0 EEABRN CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1SCCc2ccccc21 ZINC000096430538 218804511 /nfs/dbraw/zinc/80/45/11/218804511.db2.gz NYQWMJNJBRRMGJ-MRXNPFEDSA-N 0 0 328.441 2.213 40 0 EEABRN C[C@H](CNC(=O)c1cnn(C)c1)Oc1cccc(Br)c1 ZINC000096431870 218806590 /nfs/dbraw/zinc/80/65/90/218806590.db2.gz FVCCSGZZVCNVIS-SNVBAGLBSA-N 0 0 338.205 2.380 40 0 EEABRN Cn1ncc(N2CCO[C@@H](CCc3ccccc3)C2)c(Cl)c1=O ZINC000097373793 219017562 /nfs/dbraw/zinc/01/75/62/219017562.db2.gz DRJHGYFSTWBVEX-AWEZNQCLSA-N 0 0 333.819 2.272 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687755 256160723 /nfs/dbraw/zinc/16/07/23/256160723.db2.gz JDFPUWGFIUGYGR-RLCCDNCMSA-N 0 0 334.370 2.284 40 0 EEABRN O=C(OCc1cccnc1Cl)c1cn(Cc2ccccn2)nn1 ZINC000076911844 257835548 /nfs/dbraw/zinc/83/55/48/257835548.db2.gz NVNGFLHKHWHNAB-UHFFFAOYSA-N 0 0 329.747 2.127 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)CO1 ZINC000245304949 258000454 /nfs/dbraw/zinc/00/04/54/258000454.db2.gz HGUBBYDQDKYGGB-XQQFMLRXSA-N 0 0 330.475 2.239 40 0 EEABRN C[C@@H]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@H]1C ZINC000241587965 258000764 /nfs/dbraw/zinc/00/07/64/258000764.db2.gz OYMSIWSLPQIIGE-JKJDWNRSSA-N 0 0 334.460 2.493 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)NC3CC3)c(=O)c1n2C(C)C ZINC000012183693 292017632 /nfs/dbraw/zinc/01/76/32/292017632.db2.gz BIOYLBUDNXYQGG-UHFFFAOYSA-N 0 0 328.372 2.112 40 0 EEABRN O=S1(=O)C[C@H]2NC(=S)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000026505408 296493497 /nfs/dbraw/zinc/49/34/97/296493497.db2.gz JECIGSHQZUKUGO-NXEZZACHSA-N 0 0 337.253 2.265 40 0 EEABRN COCCC(=O)N1[C@@H]2CC[C@H]1[C@@]1(C2)CC(=O)c2cc(C)ccc2O1 ZINC000072342956 292274667 /nfs/dbraw/zinc/27/46/67/292274667.db2.gz PPGIIQSZUDQFJB-XVGQJIODSA-N 0 0 329.396 2.499 40 0 EEABRN Cc1nnc(CC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)o1 ZINC000368056812 166043611 /nfs/dbraw/zinc/04/36/11/166043611.db2.gz AAPCDWMXINSWAW-CQSZACIVSA-N 0 0 325.290 2.441 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1C ZINC000257261721 292517405 /nfs/dbraw/zinc/51/74/05/292517405.db2.gz LINQIBJFZXJDKT-AEFFLSMTSA-N 0 0 332.444 2.446 40 0 EEABRN O=C(NCC[C@@H]1CCCCO1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000272685364 269008503 /nfs/dbraw/zinc/00/85/03/269008503.db2.gz UHWJWLDMOHALQL-HOTGVXAUSA-N 0 0 334.391 2.254 40 0 EEABRN CCn1nc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)cc1C ZINC000257231957 276721277 /nfs/dbraw/zinc/72/12/77/276721277.db2.gz GIVCGLVPCLVPBK-MRXNPFEDSA-N 0 0 328.416 2.007 40 0 EEABRN CC(C)(C)OC(=O)C(=O)N1NC(C(F)(F)F)=C[C@@]1(O)C(C)(C)C ZINC000005027608 277174007 /nfs/dbraw/zinc/17/40/07/277174007.db2.gz AKLJFUFCOZYHON-CYBMUJFWSA-N 0 0 338.326 2.213 40 0 EEABRN CC(=O)N[C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096079826 278140971 /nfs/dbraw/zinc/14/09/71/278140971.db2.gz ULECKBWYOGRPBY-MRXNPFEDSA-N 0 0 338.411 2.476 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000081612343 279189510 /nfs/dbraw/zinc/18/95/10/279189510.db2.gz XZCUBNNGJOWHEK-CYBMUJFWSA-N 0 0 326.444 2.447 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096047737 280223672 /nfs/dbraw/zinc/22/36/72/280223672.db2.gz UMLJESAFIYRRNF-XJKSGUPXSA-N 0 0 330.413 2.024 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)C(=O)Nc2cccc3[nH]ccc32)n1 ZINC000077728140 280444706 /nfs/dbraw/zinc/44/47/06/280444706.db2.gz ZHHCBTUYINAAFL-LBPRGKRZSA-N 0 0 339.399 2.125 40 0 EEABRN CC(=O)c1cc(C(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)n(C)c1 ZINC000293711509 293276464 /nfs/dbraw/zinc/27/64/64/293276464.db2.gz OJXLPSMKEBDZNS-BETUJISGSA-N 0 0 347.459 2.335 40 0 EEABRN Cn1cccc1C(=O)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000248100995 294380167 /nfs/dbraw/zinc/38/01/67/294380167.db2.gz DWEYUHZADXZWMM-MRXNPFEDSA-N 0 0 328.416 2.235 40 0 EEABRN COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)cn1 ZINC000225480176 295131637 /nfs/dbraw/zinc/13/16/37/295131637.db2.gz MDISEJBIMYXJIK-ZFWWWQNUSA-N 0 0 325.368 2.064 40 0 biogenic,in-vitro EEABRN O=C(CCc1ccc(O)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000517213 295482406 /nfs/dbraw/zinc/48/24/06/295482406.db2.gz YNTQOSHTJPNZOG-CVEARBPZSA-N 0 0 338.407 2.132 40 0 EEABRN C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)[C@@H](c2ccccc2)CO1 ZINC000096433340 300184548 /nfs/dbraw/zinc/18/45/48/300184548.db2.gz QDGVFKIVSFSSAI-SMDDNHRTSA-N 0 0 330.409 2.449 40 0 EEABRN Cc1c[nH]nc1[C@H]1COCCN1C(=O)c1cc(C)nc2onc(C)c21 ZINC000257284029 302330029 /nfs/dbraw/zinc/33/00/29/302330029.db2.gz PAZFXFGAAQIMAD-CYBMUJFWSA-N 0 0 341.371 2.085 40 0 EEABRN O=C([C@H]1CCn2cncc2C1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000328946538 311634933 /nfs/dbraw/zinc/63/49/33/311634933.db2.gz MHWQLBIYVWARHU-FZMZJTMJSA-N 0 0 330.413 2.047 40 0 EEABRN C[C@@H](CNC(=O)c1ccc([C@H]2CCCOC2)cc1)c1nncn1C ZINC000329493584 311680737 /nfs/dbraw/zinc/68/07/37/311680737.db2.gz ICJIOAWCUARVQH-BBRMVZONSA-N 0 0 328.416 2.243 40 0 EEABRN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2ccc(Cl)s2)cn1 ZINC000331526331 311866473 /nfs/dbraw/zinc/86/64/73/311866473.db2.gz DHVZZGGNOAJWLF-GFCCVEGCSA-N 0 0 345.877 2.107 40 0 EEABRN CC(C)c1cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cc(=O)[nH]1 ZINC000332392623 312000317 /nfs/dbraw/zinc/00/03/17/312000317.db2.gz MXLQMDJZHIKIDK-UHFFFAOYSA-N 0 0 339.395 2.400 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@H](O)[C@@H]3C)cn2)n1 ZINC000332413373 312003674 /nfs/dbraw/zinc/00/36/74/312003674.db2.gz SMVJHOIFEMUNHW-ZFWWWQNUSA-N 0 0 329.404 2.261 40 0 EEABRN Cc1csc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 ZINC000333917108 312213502 /nfs/dbraw/zinc/21/35/02/312213502.db2.gz NPQSCXKPXJCTOH-CQSZACIVSA-N 0 0 342.486 2.165 40 0 EEABRN CN1CCc2ccc(NC(=O)N3CCCN(C(=O)C4CC4)CC3)cc21 ZINC000097103419 323321477 /nfs/dbraw/zinc/32/14/77/323321477.db2.gz KNRKHAVKCXZEGH-UHFFFAOYSA-N 0 0 342.443 2.155 40 0 EEABRN CN(C(=O)c1cccnc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000154725293 323331869 /nfs/dbraw/zinc/33/18/69/323331869.db2.gz RPMGTHWKLQPDNF-CYBMUJFWSA-N 0 0 348.200 2.143 40 0 EEABRN COc1cc(NC(=O)CNC(=O)Nc2ccc(C)cn2)cc(OC)c1 ZINC000390833087 323545745 /nfs/dbraw/zinc/54/57/45/323545745.db2.gz BXWXAWLWUYXNCI-UHFFFAOYSA-N 0 0 344.371 2.167 40 0 EEABRN CCn1c([C@H](CO)NC(=O)c2ccccc2Cl)n[nH]c1=S ZINC000085400199 462544104 /nfs/dbraw/zinc/54/41/04/462544104.db2.gz RLASZPXLHQFSJH-JTQLQIEISA-N 0 0 326.809 2.077 40 0 EEABRN C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@H]2C(=O)C[C@]2(C)C(=O)[C@H](O)CC[C@@H]12 ZINC000230045554 464202493 /nfs/dbraw/zinc/20/24/93/464202493.db2.gz VVINKEMRHIOYTI-ZENOZYMMSA-N 0 0 334.456 2.499 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 ZINC000085475672 462551560 /nfs/dbraw/zinc/55/15/60/462551560.db2.gz DJFKWJDUMCCCQJ-ZBFHGGJFSA-N 0 0 330.363 2.200 40 0 EEABRN O=C(c1cc2n(n1)CCCO2)N1CCN(c2ccccc2Cl)CC1 ZINC000085555197 462552393 /nfs/dbraw/zinc/55/23/93/462552393.db2.gz YZWUZMPJSSLRKU-UHFFFAOYSA-N 0 0 346.818 2.281 40 0 EEABRN CCC1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccncc2)C1 ZINC000000302652 462553602 /nfs/dbraw/zinc/55/36/02/462553602.db2.gz CEOGVSWSBUSBPB-SFHVURJKSA-N 0 0 325.368 2.304 40 0 EEABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC[C@H]1CCCO1 ZINC000000415879 462559868 /nfs/dbraw/zinc/55/98/68/462559868.db2.gz OZLNWDCQBUMJQQ-GFCCVEGCSA-N 0 0 337.376 2.263 40 0 EEABRN Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)OC(C)C)[C@@H]4C2=O)cc1 ZINC000000488789 462567144 /nfs/dbraw/zinc/56/71/44/462567144.db2.gz QIUOTDNBABOOQL-LJCCNALRSA-N 0 0 341.407 2.229 40 0 EEABRN COc1ccc(-n2ncc3c2ncn(Cc2ccccn2)c3=O)cc1 ZINC000001330730 462578942 /nfs/dbraw/zinc/57/89/42/462578942.db2.gz XTLIXTCIQGDLBU-UHFFFAOYSA-N 0 0 333.351 2.034 40 0 EEABRN O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NC1CC1 ZINC000001371482 462579974 /nfs/dbraw/zinc/57/99/74/462579974.db2.gz MTHGBLAXRDCRRI-UHFFFAOYSA-N 0 0 340.474 2.428 40 0 EEABRN COc1ccc(Cn2nc(C)c(N3C(=O)CCC3=O)c2C)cc1OC ZINC000002732506 462601067 /nfs/dbraw/zinc/60/10/67/462601067.db2.gz CMUVCWRKOHUUNE-UHFFFAOYSA-N 0 0 343.383 2.219 40 0 EEABRN COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000113876297 462614297 /nfs/dbraw/zinc/61/42/97/462614297.db2.gz IQADKRQNVFRXPB-UHFFFAOYSA-N 0 0 341.335 2.333 40 0 EEABRN CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000113879764 462614452 /nfs/dbraw/zinc/61/44/52/462614452.db2.gz JFSQPTVXFZSKJU-UHFFFAOYSA-N 0 0 349.408 2.454 40 0 EEABRN O[C@H]1[C@H]([C@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000004078547 462627861 /nfs/dbraw/zinc/62/78/61/462627861.db2.gz XEYVZLZWQFLSDZ-CWVYHPPDSA-N 0 0 340.416 2.224 40 0 EEABRN COCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21 ZINC000004093534 462628291 /nfs/dbraw/zinc/62/82/91/462628291.db2.gz AUGFSTKPJLLQSY-UHFFFAOYSA-N 0 0 334.445 2.182 40 0 EEABRN Cc1ccc(CN(CC(=O)NC(C)(C)C)C(=O)c2csnn2)cc1 ZINC000004890246 462639833 /nfs/dbraw/zinc/63/98/33/462639833.db2.gz HUQBQEGBPDAKLV-UHFFFAOYSA-N 0 0 346.456 2.404 40 0 EEABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C)on2)CC1=O ZINC000005002155 462643340 /nfs/dbraw/zinc/64/33/40/462643340.db2.gz SXGNBZLPTFSCMY-GFCCVEGCSA-N 0 0 329.356 2.373 40 0 EEABRN CC(C)CNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006326326 462683369 /nfs/dbraw/zinc/68/33/69/462683369.db2.gz GRXCFSLITKYOAF-UHFFFAOYSA-N 0 0 339.244 2.044 40 0 EEABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1 ZINC000006597161 462692455 /nfs/dbraw/zinc/69/24/55/462692455.db2.gz QXCHXAPROAMIJK-UHFFFAOYSA-N 0 0 342.461 2.060 40 0 EEABRN COc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2C=O)CC1=O ZINC000007929006 462758351 /nfs/dbraw/zinc/75/83/51/462758351.db2.gz UVEVGHLNRVOBON-AWEZNQCLSA-N 0 0 339.347 2.466 40 0 EEABRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)no1 ZINC000008413587 462783281 /nfs/dbraw/zinc/78/32/81/462783281.db2.gz ANAZMZDEXYYLJB-UHFFFAOYSA-N 0 0 345.355 2.192 40 0 EEABRN CCC1CCC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009235563 462800083 /nfs/dbraw/zinc/80/00/83/462800083.db2.gz RXHGYZXXQYLJSB-UHFFFAOYSA-N 0 0 332.400 2.117 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000011593306 462835610 /nfs/dbraw/zinc/83/56/10/462835610.db2.gz BMNXYDOWVMLBHR-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN Cc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3sccc3n21 ZINC000012088520 462843647 /nfs/dbraw/zinc/84/36/47/462843647.db2.gz KDHBOHHYXVYBCP-UHFFFAOYSA-N 0 0 339.380 2.053 40 0 EEABRN COc1ccc([C@@H]2C[C@H](OC(=O)c3cccnc3)C(=O)N2C)cc1 ZINC000012143231 462844979 /nfs/dbraw/zinc/84/49/79/462844979.db2.gz QPLLMECXMDODCB-HOTGVXAUSA-N 0 0 326.352 2.219 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCCC3)n2)o1 ZINC000012182804 462847000 /nfs/dbraw/zinc/84/70/00/462847000.db2.gz XATKCPDRIWDMFP-UHFFFAOYSA-N 0 0 344.415 2.233 40 0 EEABRN CN(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1 ZINC000012240425 462848102 /nfs/dbraw/zinc/84/81/02/462848102.db2.gz VTKOYDPTDGIPHN-UHFFFAOYSA-N 0 0 330.407 2.165 40 0 EEABRN Cc1nonc1CC(=O)N[C@H](Cc1cccs1)c1ccccn1 ZINC000012234144 462848385 /nfs/dbraw/zinc/84/83/85/462848385.db2.gz PLYKBQJIICZFDD-OAHLLOKOSA-N 0 0 328.397 2.477 40 0 EEABRN CCCNC(=O)CCN[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000155251609 462866814 /nfs/dbraw/zinc/86/68/14/462866814.db2.gz VJTUVRMIBIRWKB-ZDUSSCGKSA-N 0 0 344.864 2.064 40 0 EEABRN O=C(c1cccnc1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000013266140 462889285 /nfs/dbraw/zinc/88/92/85/462889285.db2.gz CHNQCQCYMSZTTG-UHFFFAOYSA-N 0 0 336.395 2.099 40 0 EEABRN COc1ccc(O)c(NC(=S)NC(=O)COc2ccccc2)c1 ZINC000014257628 462923064 /nfs/dbraw/zinc/92/30/64/462923064.db2.gz XETZXFOENQWGQP-UHFFFAOYSA-N 0 0 332.381 2.293 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014397752 462926164 /nfs/dbraw/zinc/92/61/64/462926164.db2.gz GPXNBPOGYBMTPV-GFCCVEGCSA-N 0 0 330.425 2.287 40 0 EEABRN C[C@H]1CN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCO1 ZINC000050083705 462986933 /nfs/dbraw/zinc/98/69/33/462986933.db2.gz QQJSPELPVPFPAG-ZDUSSCGKSA-N 0 0 349.456 2.128 40 0 EEABRN ONC1=Nc2ccccc2OCCOc2ccccc2N=C1NO ZINC000017143057 462995750 /nfs/dbraw/zinc/99/57/50/462995750.db2.gz YDTBANGBXFXMDO-UHFFFAOYSA-N 0 0 328.328 2.176 40 0 EEABRN CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019016621 463012814 /nfs/dbraw/zinc/01/28/14/463012814.db2.gz QBPNJXVFMUHMSZ-AWEZNQCLSA-N 0 0 344.459 2.133 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019118164 463014876 /nfs/dbraw/zinc/01/48/76/463014876.db2.gz ZGBHSLLZYGCRDG-ZDUSSCGKSA-N 0 0 341.367 2.239 40 0 EEABRN CC(C)N1CN=C2N[C@@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638708 463028921 /nfs/dbraw/zinc/02/89/21/463028921.db2.gz UYYZUNVSTJAXLW-QGZVFWFLSA-N 0 0 347.426 2.383 40 0 EEABRN Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022273094 463048774 /nfs/dbraw/zinc/04/87/74/463048774.db2.gz RSHPNRINFXHFQH-UHFFFAOYSA-N 0 0 346.452 2.420 40 0 EEABRN CCOC(=O)c1nn([C@@H](C)CC)c(N)c1I ZINC000095094669 463066849 /nfs/dbraw/zinc/06/68/49/463066849.db2.gz SLUNGKFYHWBMGK-LURJTMIESA-N 0 0 337.161 2.218 40 0 EEABRN CCOc1ccccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000052412011 463077208 /nfs/dbraw/zinc/07/72/08/463077208.db2.gz VHCHMHUHDJELLE-UHFFFAOYSA-N 0 0 348.424 2.304 40 0 EEABRN Cc1ccccc1C1(CNC(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000135070101 463114811 /nfs/dbraw/zinc/11/48/11/463114811.db2.gz MOZPUCJKEGPKEX-HOTGVXAUSA-N 0 0 332.444 2.208 40 0 EEABRN O=C([C@@H]1CCCN1c1noc(-c2ccccc2)n1)N1CCSCC1 ZINC000157382888 463125348 /nfs/dbraw/zinc/12/53/48/463125348.db2.gz KDNFNOCAQIGNJC-AWEZNQCLSA-N 0 0 344.440 2.281 40 0 EEABRN CN(C)c1ncc(-c2cc(C(=O)N3CCCO3)n(CC3CC3)c2)cn1 ZINC000096037653 463142561 /nfs/dbraw/zinc/14/25/61/463142561.db2.gz ORBMJOGCNHUMSH-UHFFFAOYSA-N 0 0 341.415 2.199 40 0 EEABRN O=C(c1ccnnc1)N1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040311 463144743 /nfs/dbraw/zinc/14/47/43/463144743.db2.gz LUQQQNADYDLEEF-PKOBYXMFSA-N 0 0 345.443 2.305 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)nc1 ZINC000096040106 463145172 /nfs/dbraw/zinc/14/51/72/463145172.db2.gz RNDYZSGBVQJQAH-MJGOQNOKSA-N 0 0 340.427 2.464 40 0 EEABRN Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC3CCCC3)O[C@H]2C1 ZINC000096043230 463147331 /nfs/dbraw/zinc/14/73/31/463147331.db2.gz NKGIIVVTXXNIQH-QGTPRVQTSA-N 0 0 347.459 2.330 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049561 463153297 /nfs/dbraw/zinc/15/32/97/463153297.db2.gz FTNQPHNOUPAYAZ-LJQANCHMSA-N 0 0 341.411 2.434 40 0 EEABRN c1cc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096049138 463153626 /nfs/dbraw/zinc/15/36/26/463153626.db2.gz PYIWXQSQNGOUFJ-KRWDZBQOSA-N 0 0 330.457 2.410 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2ccoc2)CC3)c1 ZINC000096051706 463155070 /nfs/dbraw/zinc/15/50/70/463155070.db2.gz WDEJYGHQBXDEHQ-MRXNPFEDSA-N 0 0 341.411 2.433 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC000096056605 463157761 /nfs/dbraw/zinc/15/77/61/463157761.db2.gz WJISVEQSQKVDBP-IAGOWNOFSA-N 0 0 339.395 2.389 40 0 EEABRN c1cnn(CCCO[C@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@@H]32)c1 ZINC000096065437 463163342 /nfs/dbraw/zinc/16/33/42/463163342.db2.gz GFNOPLAMWVJQCU-VYDXJSESSA-N 0 0 348.472 2.178 40 0 EEABRN CCc1cc(N2CCN(CC(F)F)CC2)nc(-c2ccncc2)n1 ZINC000068694810 463165882 /nfs/dbraw/zinc/16/58/82/463165882.db2.gz IOSDZLGJWNNEAM-UHFFFAOYSA-N 0 0 333.386 2.488 40 0 EEABRN CN(C(=O)c1cccc2[nH]ncc21)[C@H]1CCN(c2ccccc2)C1=O ZINC000078915031 463166466 /nfs/dbraw/zinc/16/64/66/463166466.db2.gz QFVPFFXPLPVPJH-KRWDZBQOSA-N 0 0 334.379 2.440 40 0 EEABRN C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000078925061 463166702 /nfs/dbraw/zinc/16/67/02/463166702.db2.gz MNYUTMIMAZQVLM-DLBZAZTESA-N 0 0 341.459 2.188 40 0 EEABRN C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000078926155 463167535 /nfs/dbraw/zinc/16/75/35/463167535.db2.gz GBTOBKUQTGYPOV-JSGCOSHPSA-N 0 0 334.420 2.451 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096105791 463174134 /nfs/dbraw/zinc/17/41/34/463174134.db2.gz OTMSKCWVEKCFRR-CQSZACIVSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1cc(CN2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107614 463176119 /nfs/dbraw/zinc/17/61/19/463176119.db2.gz PFWRRMDDOLKMPA-ROUUACIJSA-N 0 0 329.400 2.328 40 0 EEABRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc(C)nc2onc(C)c21 ZINC000096134103 463185267 /nfs/dbraw/zinc/18/52/67/463185267.db2.gz WMTHSCQUEIKKDG-CQSZACIVSA-N 0 0 344.415 2.313 40 0 EEABRN COc1c(C(=O)NCc2ccc(C)o2)nnn1Cc1ccc(C)cc1 ZINC000096183398 463196350 /nfs/dbraw/zinc/19/63/50/463196350.db2.gz XRLQBEDFFVGXPS-UHFFFAOYSA-N 0 0 340.383 2.475 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@H]2O[C@@H](COCC3CCOCC3)CC[C@@H]21 ZINC000096186714 463199237 /nfs/dbraw/zinc/19/92/37/463199237.db2.gz BKUIPJSTBSSLPA-SQNIBIBYSA-N 0 0 349.427 2.485 40 0 EEABRN CN(Cc1cn2c(n1)CN(C(=O)CC1CC1)CC2)Cc1ccco1 ZINC000096197478 463203237 /nfs/dbraw/zinc/20/32/37/463203237.db2.gz WMJNMQFMMBXSHU-UHFFFAOYSA-N 0 0 328.416 2.250 40 0 EEABRN Cn1ccnc1CN1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC000096199639 463204476 /nfs/dbraw/zinc/20/44/76/463204476.db2.gz UEFKZRBKISIRJY-KRWDZBQOSA-N 0 0 338.455 2.401 40 0 EEABRN Cc1ccc(N2C[C@H](C)[C@]3(CCN(Cc4cccnc4)C3=O)C2)nn1 ZINC000096201724 463206785 /nfs/dbraw/zinc/20/67/85/463206785.db2.gz XJXQZGYYJYKQHJ-LIRRHRJNSA-N 0 0 337.427 2.055 40 0 EEABRN Cc1nc(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)cs1 ZINC000096202731 463208029 /nfs/dbraw/zinc/20/80/29/463208029.db2.gz UOWWBIWBXCCFFM-UHFFFAOYSA-N 0 0 328.441 2.195 40 0 EEABRN Cn1cc(CN2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cn1 ZINC000096226272 463220838 /nfs/dbraw/zinc/22/08/38/463220838.db2.gz WPFNRKKUUQCFNL-LJQANCHMSA-N 0 0 344.434 2.431 40 0 EEABRN CC(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238210 463223333 /nfs/dbraw/zinc/22/33/33/463223333.db2.gz GWHMKTFOUHYYLF-QGZVFWFLSA-N 0 0 335.473 2.044 40 0 EEABRN O=C(Cc1cccs1)N1CCc2ncnc(N3CCCC3)c2CC1 ZINC000096255456 463228250 /nfs/dbraw/zinc/22/82/50/463228250.db2.gz UPBNOIOAMJLUJJ-UHFFFAOYSA-N 0 0 342.468 2.308 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)c2cnoc2C)[C@H]1Cc1ccccc1 ZINC000096261289 463230882 /nfs/dbraw/zinc/23/08/82/463230882.db2.gz ZCNPJEXAVHKDFU-ZWKOTPCHSA-N 0 0 344.411 2.472 40 0 EEABRN CC(C)n1cnc2c1[C@H](C(=O)NCc1ccccn1)N(C(C)C)CC2 ZINC000096264989 463231195 /nfs/dbraw/zinc/23/11/95/463231195.db2.gz BZHGJMWTBHZXJW-GOSISDBHSA-N 0 0 341.459 2.483 40 0 EEABRN NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000096404733 463239227 /nfs/dbraw/zinc/23/92/27/463239227.db2.gz JPENEENUSKIHMJ-KPXOXKRLSA-N 0 0 327.211 2.431 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC[S@@](=O)c2ccccc2)cc1C ZINC000096409028 463242261 /nfs/dbraw/zinc/24/22/61/463242261.db2.gz RUBGHYYRVQAENE-DEOSSOPVSA-N 0 0 344.436 2.166 40 0 EEABRN C[C@H](c1nc(-c2cccnc2)no1)N1CCC2(CC1)OC[C@H](C)O2 ZINC000096414916 463247076 /nfs/dbraw/zinc/24/70/76/463247076.db2.gz DMRGGRXNGNZIED-QWHCGFSZSA-N 0 0 330.388 2.420 40 0 EEABRN COc1ccc(Br)cc1CCC(=O)N1CCC[C@H](O)C1 ZINC000096416889 463249174 /nfs/dbraw/zinc/24/91/74/463249174.db2.gz GKSGPPIQCIBURW-ZDUSSCGKSA-N 0 0 342.233 2.374 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)NCCc1cc2ccccc2o1 ZINC000096417800 463249271 /nfs/dbraw/zinc/24/92/71/463249271.db2.gz AZKGQOHABWEIBK-CYBMUJFWSA-N 0 0 329.400 2.285 40 0 EEABRN COC(=O)c1ccc(CN2CCN([C@H](C)c3cccnc3)CC2)o1 ZINC000096424313 463255005 /nfs/dbraw/zinc/25/50/05/463255005.db2.gz SZCMAPJYLJMEGU-CQSZACIVSA-N 0 0 329.400 2.340 40 0 EEABRN O=C(N[C@@H](c1nccs1)C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425544 463255191 /nfs/dbraw/zinc/25/51/91/463255191.db2.gz HNDULZQBACAHNF-ZIAGYGMSSA-N 0 0 333.457 2.359 40 0 EEABRN Cn1cc(N2CCC[C@H](Sc3ncc4ccccn43)C2=O)cn1 ZINC000096424832 463255230 /nfs/dbraw/zinc/25/52/30/463255230.db2.gz GUCSMKCILFHOQZ-AWEZNQCLSA-N 0 0 327.413 2.356 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)S1 ZINC000096426975 463255740 /nfs/dbraw/zinc/25/57/40/463255740.db2.gz OIKCNCQKCRKZAG-CYBMUJFWSA-N 0 0 342.468 2.346 40 0 EEABRN O=C(N[C@H]1CCc2ccccc21)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096427063 463257200 /nfs/dbraw/zinc/25/72/00/463257200.db2.gz NISUPGGKFNUGQA-AEFFLSMTSA-N 0 0 348.402 2.309 40 0 EEABRN CSC[C@@H](C)N(C)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096428095 463258391 /nfs/dbraw/zinc/25/83/91/463258391.db2.gz YPOTVGXNPPPPBC-LLVKDONJSA-N 0 0 343.449 2.383 40 0 EEABRN C[C@@H](CNc1ncccc1C(=O)N1CCCCC1)N1CCOC[C@@H]1C ZINC000096429501 463259519 /nfs/dbraw/zinc/25/95/19/463259519.db2.gz BQHBBKWOKBTRSN-HOTGVXAUSA-N 0 0 346.475 2.229 40 0 EEABRN COC[C@H](O)CN(C)c1ccnc2cc(Br)ccc21 ZINC000096429215 463259577 /nfs/dbraw/zinc/25/95/77/463259577.db2.gz DIQSEYDGVGJGQX-LLVKDONJSA-N 0 0 325.206 2.441 40 0 EEABRN O=C(CCN1CCCC1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000096431372 463260036 /nfs/dbraw/zinc/26/00/36/463260036.db2.gz DCFFNZMETUGOJK-UHFFFAOYSA-N 0 0 333.819 2.493 40 0 EEABRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N[C@H](C)C(C)C ZINC000096430524 463260089 /nfs/dbraw/zinc/26/00/89/463260089.db2.gz NQGMNGUCQHLTMU-OLZOCXBDSA-N 0 0 341.477 2.140 40 0 EEABRN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ncn(Cc3cccnc3)n1)C2 ZINC000096430802 463260105 /nfs/dbraw/zinc/26/01/05/463260105.db2.gz JTKGFBZTAWWFFH-QGZVFWFLSA-N 0 0 349.394 2.280 40 0 EEABRN COCCc1nnc(SCc2coc(-c3cccs3)n2)n1N ZINC000096430393 463260184 /nfs/dbraw/zinc/26/01/84/463260184.db2.gz CFHMQOPTQHUOLX-UHFFFAOYSA-N 0 0 337.430 2.190 40 0 EEABRN Cc1ccc(NC(=O)NCC[S@](C)=O)c(OCC(F)(F)F)c1 ZINC000096434302 463261937 /nfs/dbraw/zinc/26/19/37/463261937.db2.gz VOXGGXLCPQWQHR-JOCHJYFZSA-N 0 0 338.351 2.436 40 0 EEABRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1nnnn1-c1ccccc1 ZINC000096437033 463264890 /nfs/dbraw/zinc/26/48/90/463264890.db2.gz OMFXQJWADDFKGW-LBPRGKRZSA-N 0 0 349.398 2.026 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000096439829 463266311 /nfs/dbraw/zinc/26/63/11/463266311.db2.gz RRUUXKOFPJBHCX-VXGBXAGGSA-N 0 0 337.811 2.087 40 0 EEABRN Cc1nc(Cn2nc(Br)nc2Br)oc1C ZINC000096444621 463269741 /nfs/dbraw/zinc/26/97/41/463269741.db2.gz PEMRTPAQBLMWFQ-UHFFFAOYSA-N 0 0 335.987 2.456 40 0 EEABRN C[C@H](CCc1cccn1C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000096444552 463270085 /nfs/dbraw/zinc/27/00/85/463270085.db2.gz KWCMNASCJRYGJS-CYBMUJFWSA-N 0 0 339.403 2.144 40 0 EEABRN C[C@H](NC(=O)c1cnn(C)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096449240 463271855 /nfs/dbraw/zinc/27/18/55/463271855.db2.gz IUHAACBEIPYWSS-LBPRGKRZSA-N 0 0 346.406 2.011 40 0 EEABRN CCn1cc(NC(=O)C2CCN(c3ncc(Cl)cn3)CC2)cn1 ZINC000096449410 463272005 /nfs/dbraw/zinc/27/20/05/463272005.db2.gz JLZVLCAQZSOXAU-UHFFFAOYSA-N 0 0 334.811 2.202 40 0 EEABRN CC(=O)Nc1cccc(CN2CCN(c3nc(C)ns3)CC2)c1 ZINC000096452037 463273179 /nfs/dbraw/zinc/27/31/79/463273179.db2.gz AENQODIOXIDOET-UHFFFAOYSA-N 0 0 331.445 2.127 40 0 EEABRN CN(CCN1CCCC1=O)C(=O)c1ccc(F)cc1OC(F)F ZINC000096454341 463273806 /nfs/dbraw/zinc/27/38/06/463273806.db2.gz AMTMZIZZACRZFK-UHFFFAOYSA-N 0 0 330.306 2.122 40 0 EEABRN Cc1nnc([C@@H](NS(=O)(=O)c2cc(F)c(F)c(F)c2)C(C)C)[nH]1 ZINC000096454018 463274282 /nfs/dbraw/zinc/27/42/82/463274282.db2.gz QZOXOBXPEDTTEU-LBPRGKRZSA-N 0 0 348.350 2.206 40 0 EEABRN Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000096461524 463276692 /nfs/dbraw/zinc/27/66/92/463276692.db2.gz FPQIXEXPNRMSPU-IRXDYDNUSA-N 0 0 341.459 2.458 40 0 EEABRN O=C1CCN(Cc2cc(Br)cc3cccnc32)CCN1 ZINC000096469394 463278379 /nfs/dbraw/zinc/27/83/79/463278379.db2.gz LGGYXUZAONMASY-UHFFFAOYSA-N 0 0 334.217 2.319 40 0 EEABRN Cc1nc(CCNC(=O)NCCOc2ncccc2Cl)cs1 ZINC000096473390 463278719 /nfs/dbraw/zinc/27/87/19/463278719.db2.gz KXYQUNJDVBQHFS-UHFFFAOYSA-N 0 0 340.836 2.421 40 0 EEABRN C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000096485859 463284315 /nfs/dbraw/zinc/28/43/15/463284315.db2.gz VNNWVKPUVLPSAK-HERUPUMHSA-N 0 0 330.787 2.379 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000096494150 463287637 /nfs/dbraw/zinc/28/76/37/463287637.db2.gz BXHDWJXZZGZCDJ-OAHLLOKOSA-N 0 0 346.818 2.185 40 0 EEABRN COCCCCS(=O)(=O)N1CCCN(c2ccc(C)cc2)CC1 ZINC000097097251 463322730 /nfs/dbraw/zinc/32/27/30/463322730.db2.gz HDIPAMLDTKTBPH-UHFFFAOYSA-N 0 0 340.489 2.264 40 0 EEABRN C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000080560256 463330183 /nfs/dbraw/zinc/33/01/83/463330183.db2.gz QUXCKSAYMFFQJT-DGCLKSJQSA-N 0 0 332.404 2.461 40 0 EEABRN Cc1ccc(-c2nc(CNS(=O)(=O)Cc3ccon3)co2)cc1 ZINC000080617548 463338801 /nfs/dbraw/zinc/33/88/01/463338801.db2.gz RXOGNVPHZHNTCE-UHFFFAOYSA-N 0 0 333.369 2.258 40 0 EEABRN CCCn1cc(NC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cn1 ZINC000097233166 463350876 /nfs/dbraw/zinc/35/08/76/463350876.db2.gz UXNUTRWWGQGNAT-ZDUSSCGKSA-N 0 0 343.435 2.242 40 0 EEABRN Cn1cc(Br)cc(NS(=O)(=O)c2cccs2)c1=O ZINC000080943074 463371105 /nfs/dbraw/zinc/37/11/05/463371105.db2.gz IIIXQVBXFIOUPH-UHFFFAOYSA-N 0 0 349.231 2.010 40 0 EEABRN O=C(NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1)c1ccccn1 ZINC000100158962 463372375 /nfs/dbraw/zinc/37/23/75/463372375.db2.gz GKGPUABXVRLSFI-OKILXGFUSA-N 0 0 336.399 2.223 40 0 EEABRN COc1ccccc1C[N@@H+]1CCc2nc3cc(C)[n-]n3c(=O)c2CC1 ZINC000100775086 463375347 /nfs/dbraw/zinc/37/53/47/463375347.db2.gz ZAYKNDLUKXMMGP-UHFFFAOYSA-N 0 0 338.411 2.353 40 0 EEABRN CCCC(=O)N[C@H]1CCCN(c2ncccc2-c2nc(C)no2)C1 ZINC000080976767 463377809 /nfs/dbraw/zinc/37/78/09/463377809.db2.gz FFOFDZZNWDGHKB-ZDUSSCGKSA-N 0 0 329.404 2.325 40 0 EEABRN CN1CC[C@@H](Nc2ccccc2CS(=O)(=O)c2ccccc2)C1=O ZINC000081157765 463399830 /nfs/dbraw/zinc/39/98/30/463399830.db2.gz HZXMSVZJZNJZBZ-QGZVFWFLSA-N 0 0 344.436 2.303 40 0 EEABRN COC[C@H](C)NC(=O)COc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000039561864 463451559 /nfs/dbraw/zinc/45/15/59/463451559.db2.gz MJBFZIIVGCOOOY-MNOVXSKESA-N 0 0 349.456 2.346 40 0 EEABRN NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000057354569 463480501 /nfs/dbraw/zinc/48/05/01/463480501.db2.gz PNEZOLDPUDRTLT-UHFFFAOYSA-N 0 0 340.452 2.305 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3nccnc3N)cc2)n1 ZINC000081741352 463486511 /nfs/dbraw/zinc/48/65/11/463486511.db2.gz FYGMIFZJSOYZPR-ZDUSSCGKSA-N 0 0 336.399 2.352 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1C(F)(F)F ZINC000041881554 463516733 /nfs/dbraw/zinc/51/67/33/463516733.db2.gz PNOVOSYQSMPQMO-UHFFFAOYSA-N 0 0 340.305 2.002 40 0 EEABRN O=C(NC[C@@]1(O)CCSC1)c1cc(Br)ccc1F ZINC000082967874 463523712 /nfs/dbraw/zinc/52/37/12/463523712.db2.gz FOZLJHHGCNGBSV-LBPRGKRZSA-N 0 0 334.210 2.186 40 0 EEABRN COc1ccc(C(=O)NCc2cn3ccsc3n2)c(OC)c1OC ZINC000058636974 463615551 /nfs/dbraw/zinc/61/55/51/463615551.db2.gz SCZCBEYBUFWTNH-UHFFFAOYSA-N 0 0 347.396 2.352 40 0 EEABRN Cc1sc(-n2cccc2)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000044873836 463697810 /nfs/dbraw/zinc/69/78/10/463697810.db2.gz ZNPUYOMUUYPQLS-GFCCVEGCSA-N 0 0 338.454 2.073 40 0 EEABRN COc1cccc2c1CC[C@H]2NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000152507713 463698883 /nfs/dbraw/zinc/69/88/83/463698883.db2.gz JBKRWUAEDYNVLW-SWLSCSKDSA-N 0 0 345.443 2.381 40 0 EEABRN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)c1C ZINC000257228397 463756561 /nfs/dbraw/zinc/75/65/61/463756561.db2.gz FTQIQTUIPBWRCU-NQUFMGSDSA-N 0 0 344.459 2.285 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)[C@@H]4CCCCO4)CC3)cc(=O)n2[n-]1 ZINC000257262174 463758612 /nfs/dbraw/zinc/75/86/12/463758612.db2.gz LKKXFIWCUGJIHL-HNNXBMFYSA-N 0 0 344.415 2.018 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)n1 ZINC000257281138 463760087 /nfs/dbraw/zinc/76/00/87/463760087.db2.gz ONUDTNDNHNWEEC-QGZVFWFLSA-N 0 0 341.459 2.367 40 0 EEABRN O=C(Cc1ccccc1F)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257294476 463766290 /nfs/dbraw/zinc/76/62/90/463766290.db2.gz QUIWATBBZHECHP-MRXNPFEDSA-N 0 0 329.375 2.018 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1 ZINC000257296471 463767452 /nfs/dbraw/zinc/76/74/52/463767452.db2.gz RCZCWRZDRGLJNI-NSHDSACASA-N 0 0 341.337 2.340 40 0 EEABRN Cc1nc(C)c(CC(=O)N[C@H]2CCCN(c3ccccn3)C2)s1 ZINC000257302740 463769021 /nfs/dbraw/zinc/76/90/21/463769021.db2.gz SECXWRPFORQGDD-AWEZNQCLSA-N 0 0 330.457 2.483 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257311943 463773226 /nfs/dbraw/zinc/77/32/26/463773226.db2.gz ULSGJFJDLYAXBR-OAHLLOKOSA-N 0 0 343.402 2.184 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@@H]2c2cc(N)nc(C)n2)cc1F ZINC000257315759 463775319 /nfs/dbraw/zinc/77/53/19/463775319.db2.gz VCQYFYJBMFZWHD-CQSZACIVSA-N 0 0 330.363 2.492 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC(c3cnccn3)CC2)o1 ZINC000257318904 463776955 /nfs/dbraw/zinc/77/69/55/463776955.db2.gz VPXHEUFVOCFIHM-UHFFFAOYSA-N 0 0 329.404 2.322 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000257329713 463780871 /nfs/dbraw/zinc/78/08/71/463780871.db2.gz XLEMAZJRTJXJLT-DOTOQJQBSA-N 0 0 348.418 2.315 40 0 EEABRN Cc1nc(CN2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)no1 ZINC000257335183 463783313 /nfs/dbraw/zinc/78/33/13/463783313.db2.gz YIYZOZYRVUHDQF-MAUKXSAKSA-N 0 0 326.400 2.016 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257335747 463783336 /nfs/dbraw/zinc/78/33/36/463783336.db2.gz YLQCSSNBYBHJNC-MRXNPFEDSA-N 0 0 345.374 2.204 40 0 EEABRN Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000257342121 463787440 /nfs/dbraw/zinc/78/74/40/463787440.db2.gz ZNDWHUHUCAXMOJ-OAHLLOKOSA-N 0 0 348.410 2.292 40 0 EEABRN O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000178297102 463875522 /nfs/dbraw/zinc/87/55/22/463875522.db2.gz TVWWYQQKVKVARN-MRXNPFEDSA-N 0 0 337.387 2.160 40 0 EEABRN CO[C@@H]1CCCC[C@@H]1NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000195531367 464072071 /nfs/dbraw/zinc/07/20/71/464072071.db2.gz NPLWZLRXCCCXNF-NXHTTZLHSA-N 0 0 338.473 2.192 40 0 EEABRN O=C1[C@@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1 ZINC000195530656 464072221 /nfs/dbraw/zinc/07/22/21/464072221.db2.gz VPPCZWGEGWIEJJ-CVEARBPZSA-N 0 0 345.834 2.374 40 0 EEABRN C[C@H](CC(F)(F)F)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000195551691 464075750 /nfs/dbraw/zinc/07/57/50/464075750.db2.gz NVAGKHQDGJOAEE-WOPDTQHZSA-N 0 0 348.369 2.272 40 0 EEABRN Cc1cc(NC(=O)C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)n(C)n1 ZINC000195574226 464080809 /nfs/dbraw/zinc/08/08/09/464080809.db2.gz MCGCSUZYHVSCKY-UHFFFAOYSA-N 0 0 340.427 2.475 40 0 EEABRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCn1cncn1 ZINC000187043842 464093064 /nfs/dbraw/zinc/09/30/64/464093064.db2.gz LJRPWXKCWDQAKF-SWLSCSKDSA-N 0 0 334.807 2.310 40 0 EEABRN C[C@H](CCNC(=O)N[C@@H]1CCCOc2c(F)cccc21)[S@](C)=O ZINC000211277831 464102691 /nfs/dbraw/zinc/10/26/91/464102691.db2.gz ICUWJKYCADFOFC-PXJNQOFFSA-N 0 0 342.436 2.496 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000223207480 464139559 /nfs/dbraw/zinc/13/95/59/464139559.db2.gz UYYNEWYWXBZXQB-UHFFFAOYSA-N 0 0 346.427 2.111 40 0 EEABRN O=C(NCc1nccs1)[C@H]1CCC(=O)N1Cc1ccccc1F ZINC000223428580 464142058 /nfs/dbraw/zinc/14/20/58/464142058.db2.gz SDGWPIZUONNKAB-CYBMUJFWSA-N 0 0 333.388 2.090 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223638201 464145584 /nfs/dbraw/zinc/14/55/84/464145584.db2.gz VDHQCURANOYBJM-GJZGRUSLSA-N 0 0 331.397 2.210 40 0 EEABRN Fc1ccc(OCCNc2cc(N3CCOCC3)ncn2)c(F)c1 ZINC000225478453 464163919 /nfs/dbraw/zinc/16/39/19/464163919.db2.gz KBRXOWTWFHTVJD-UHFFFAOYSA-N 0 0 336.342 2.082 40 0 EEABRN COc1ccccc1CN1CCN(C(=O)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000225558463 464172257 /nfs/dbraw/zinc/17/22/57/464172257.db2.gz SKYVQDWMQPOZKZ-AEFFLSMTSA-N 0 0 346.471 2.281 40 0 EEABRN O=C(CCNC(=O)C1CCN(CC(F)F)CC1)Nc1ccccc1 ZINC000225559348 464172684 /nfs/dbraw/zinc/17/26/84/464172684.db2.gz PIGWXAQSJAZAEZ-UHFFFAOYSA-N 0 0 339.386 2.109 40 0 EEABRN CC(=O)N1CCC[C@H](C(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225598021 464175321 /nfs/dbraw/zinc/17/53/21/464175321.db2.gz SZBBEWCXXUQQNE-KRWDZBQOSA-N 0 0 332.444 2.357 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)C[C@H]1C ZINC000225697863 464180988 /nfs/dbraw/zinc/18/09/88/464180988.db2.gz TXSGWJPGYURZQL-QUHUKJRKSA-N 0 0 346.427 2.392 40 0 EEABRN Cc1ccc(NCc2ccnn2C)c(C)c1S(=O)(=O)NC1CC1 ZINC000180393518 464301479 /nfs/dbraw/zinc/30/14/79/464301479.db2.gz AWEUFLNXIXAKIK-UHFFFAOYSA-N 0 0 334.445 2.090 40 0 EEABRN CCOC(=O)c1cc(NC(=O)C[C@@H]2CCOc3ccccc32)[nH]n1 ZINC000180925883 464419691 /nfs/dbraw/zinc/41/96/91/464419691.db2.gz YLVHKARJNRJZGV-NSHDSACASA-N 0 0 329.356 2.481 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2([NH3+])C(=O)[O-])cc1 ZINC000242522432 464457885 /nfs/dbraw/zinc/45/78/85/464457885.db2.gz ISXIZBZONDYGSW-NUJGCVRESA-N 0 0 345.420 2.025 40 0 EEABRN O=C(Cc1ccccc1Br)N1CC[C@@H](c2ncon2)C1 ZINC000244969142 464466955 /nfs/dbraw/zinc/46/69/55/464466955.db2.gz HAFGGHVHCVKJEW-LLVKDONJSA-N 0 0 336.189 2.391 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247825827 464708284 /nfs/dbraw/zinc/70/82/84/464708284.db2.gz IXFHUGBOSNDXEW-CQSZACIVSA-N 0 0 337.441 2.423 40 0 EEABRN CCO[C@H]1CCOC2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000248377445 464745570 /nfs/dbraw/zinc/74/55/70/464745570.db2.gz GQOBPLAGGJQYGQ-LBPRGKRZSA-N 0 0 345.848 2.299 40 0 EEABRN CC[C@@H](CCO)NC(=O)Cc1ccc(I)cc1 ZINC000190982671 464756201 /nfs/dbraw/zinc/75/62/01/464756201.db2.gz YCCAQXDSYPJRCJ-LBPRGKRZSA-N 0 0 347.196 2.111 40 0 EEABRN COc1ccc([C@H](CO)N(C)C(=O)c2n[nH]c3c2CCCCC3)cc1 ZINC000190992034 464758170 /nfs/dbraw/zinc/75/81/70/464758170.db2.gz BJXAPSIKPBSJDP-KRWDZBQOSA-N 0 0 343.427 2.493 40 0 EEABRN O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)CC1CCCCC1 ZINC000252489428 464967123 /nfs/dbraw/zinc/96/71/23/464967123.db2.gz JQYNCFQIEQMOJW-QGZVFWFLSA-N 0 0 328.416 2.215 40 0 EEABRN COc1c(NC(=O)NCC(F)F)cc(Cl)cc1C(=O)N(C)C ZINC000252498508 464971017 /nfs/dbraw/zinc/97/10/17/464971017.db2.gz RDOSORKYDOWGHF-UHFFFAOYSA-N 0 0 335.738 2.437 40 0 EEABRN CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)c3ccoc3)C2)c(=O)c1 ZINC000253394486 464999457 /nfs/dbraw/zinc/99/94/57/464999457.db2.gz GFQYKWJSMLHMPB-HNNXBMFYSA-N 0 0 344.415 2.158 40 0 EEABRN COc1ccc(-c2cc(N(C)C[C@H]3CCCS(=O)(=O)C3)n[nH]2)cc1 ZINC000253416378 465004989 /nfs/dbraw/zinc/00/49/89/465004989.db2.gz OAVQUHGOKNPGRN-CYBMUJFWSA-N 0 0 349.456 2.346 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000253421314 465008775 /nfs/dbraw/zinc/00/87/75/465008775.db2.gz HTRTUXCJSVHYMJ-KCTSRDHCSA-N 0 0 346.406 2.446 40 0 EEABRN Cn1cc([C@@H]2CN(Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426984 465011082 /nfs/dbraw/zinc/01/10/82/465011082.db2.gz UIUWSTINKBDAIV-FQEVSTJZSA-N 0 0 348.454 2.269 40 0 EEABRN O=C(Cc1cnc2ccccc2c1)N[C@H]1CN(c2ccccc2)C1=O ZINC000253426497 465011733 /nfs/dbraw/zinc/01/17/33/465011733.db2.gz HBRUQCDLSSMOGF-SFHVURJKSA-N 0 0 331.375 2.309 40 0 EEABRN COC(=O)c1ccc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)nn1 ZINC000253428844 465012283 /nfs/dbraw/zinc/01/22/83/465012283.db2.gz RJBSILWDMXROCM-VBHSOAQHSA-N 0 0 331.416 2.437 40 0 EEABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976024 465881725 /nfs/dbraw/zinc/88/17/25/465881725.db2.gz UCHHOLLGNPCBBJ-STQMWFEESA-N 0 0 331.478 2.054 40 0 EEABRN COC(=O)c1cn([C@@H](C)C(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000409207246 466686993 /nfs/dbraw/zinc/68/69/93/466686993.db2.gz UMTBUTASVLRDAH-QWHCGFSZSA-N 0 0 330.384 2.284 40 0 EEABRN Cc1nn(C)c2nc(C)cc(C(=O)N3CCOc4nc(C)ccc43)c12 ZINC000408103574 467509280 /nfs/dbraw/zinc/50/92/80/467509280.db2.gz IHCJFTRGPOYKGS-UHFFFAOYSA-N 0 0 337.383 2.328 40 0 EEABRN CCc1oc2ccccc2c1CC(=O)NC[C@@](C)(O)c1cnn(C)c1 ZINC000528705165 467733234 /nfs/dbraw/zinc/73/32/34/467733234.db2.gz NKWPGSUBMCHDGJ-LJQANCHMSA-N 0 0 341.411 2.295 40 0 EEABRN CCN(C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421373 468143377 /nfs/dbraw/zinc/14/33/77/468143377.db2.gz PLAZFOGHFMPBPF-ROUUACIJSA-N 0 0 345.464 2.256 40 0 EEABRN O=C1N(c2cccnc2)CC[C@@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093066 468962675 /nfs/dbraw/zinc/96/26/75/468962675.db2.gz RNTPCDKBAPMWRN-MRXNPFEDSA-N 0 0 347.369 2.069 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1ccsc1)C2 ZINC000585110891 468973538 /nfs/dbraw/zinc/97/35/38/468973538.db2.gz VCUPFDDNUGXZFM-HNNXBMFYSA-N 0 0 344.484 2.497 40 0 EEABRN COC(=O)C[C@H]1Cc2ccccc2N1C(=O)c1ncn(C(C)(C)C)n1 ZINC000585141689 468991749 /nfs/dbraw/zinc/99/17/49/468991749.db2.gz WXRSQLWHVSKNJE-CYBMUJFWSA-N 0 0 342.399 2.168 40 0 EEABRN CCn1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)n1 ZINC000585141645 468992163 /nfs/dbraw/zinc/99/21/63/468992163.db2.gz YOFDPJWZARHYHW-ZDUSSCGKSA-N 0 0 349.460 2.072 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)[C@H]1Cc1ccccc1F ZINC000585275771 469000743 /nfs/dbraw/zinc/00/07/43/469000743.db2.gz FITKWAIILKKEFO-HOTGVXAUSA-N 0 0 345.374 2.184 40 0 EEABRN O=C(CC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585286352 469009602 /nfs/dbraw/zinc/00/96/02/469009602.db2.gz WQGOEFWWEFNMJT-LORHWOILSA-N 0 0 333.428 2.280 40 0 EEABRN CC(C)(C)n1nnc(CNC(=O)N[C@H]2CCCc3c(F)cccc32)n1 ZINC000654576660 471079583 /nfs/dbraw/zinc/07/95/83/471079583.db2.gz QOSPQWQZHQMTDV-AWEZNQCLSA-N 0 0 346.410 2.444 40 0 EEABRN CCOC(=O)[C@@]1(C)C(=O)C[C@H]2c3nc4ccccc4cc3CN2C1=O ZINC000001729774 500698295 /nfs/dbraw/zinc/69/82/95/500698295.db2.gz OFUJHSIUARGGNL-LIRRHRJNSA-N 0 0 338.363 2.160 40 0 EEABRN O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Cl)cc1 ZINC000408653176 534603783 /nfs/dbraw/zinc/60/37/83/534603783.db2.gz FEVYYBGTEMLXQW-ALTYAODHSA-N 0 0 334.755 2.264 40 0 EEABRN O=C(C[C@H]1OC(=O)c2ccccc21)NCCc1ccc2c(c1)OCO2 ZINC000044870001 527182220 /nfs/dbraw/zinc/18/22/20/527182220.db2.gz OUKMJUIRQAZKAE-MRXNPFEDSA-N 0 0 339.347 2.376 40 0 EEABRN CCC[C@H]1C[C@@H]1NC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000095408014 528423741 /nfs/dbraw/zinc/42/37/41/528423741.db2.gz MKMBCIGEKMZOLY-GJZGRUSLSA-N 0 0 346.475 2.384 40 0 EEABRN CC(C)c1cc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)on1 ZINC000257242721 535354392 /nfs/dbraw/zinc/35/43/92/535354392.db2.gz IDVCFQBUGGSISI-CQSZACIVSA-N 0 0 330.388 2.062 40 0 EEABRN CCc1nnsc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257257402 535868339 /nfs/dbraw/zinc/86/83/39/535868339.db2.gz KPLQEGYVKUGAND-GFCCVEGCSA-N 0 0 333.417 2.062 40 0 EEABRN CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(COC)C(N)=S)cc1 ZINC000218541944 536194796 /nfs/dbraw/zinc/19/47/96/536194796.db2.gz WNTVJHOZEWWMCW-DZKIICNBSA-N 0 0 341.498 2.068 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)n1 ZINC000257227723 536421409 /nfs/dbraw/zinc/42/14/09/536421409.db2.gz FQPSWNDDSBWLOP-HNNXBMFYSA-N 0 0 336.399 2.452 40 0 EEABRN Cc1nc([C@](C)(NC(=O)c2cc(C(F)F)n(C)n2)C2CC2)no1 ZINC001433487285 1410397465 /nfs/dbraw/zinc/39/74/65/1410397465.db2.gz BEPKLCKYNSGBNW-CQSZACIVSA-N 0 0 325.319 2.104 40 0 EEABRN CCN1OC2(CC1=O)CCN(Cc1nc3ccccc3n1C)CC2 ZINC001549166915 1121135452 /nfs/dbraw/zinc/13/54/52/1121135452.db2.gz KJUIKFQBVNXUKM-UHFFFAOYSA-N 0 0 328.416 2.092 40 0 EEABRN COc1ccc(N2Cc3nn(Cc4ccccc4)c(=O)n3C2=O)cc1 ZINC001547200927 1124226292 /nfs/dbraw/zinc/22/62/92/1124226292.db2.gz BMIRZYARSYSNGV-UHFFFAOYSA-N 0 0 336.351 2.090 40 0 EEABRN O=C(NCCc1cccc2ccccc21)N1CC(N2CCCC2=O)C1 ZINC001548452848 1124294955 /nfs/dbraw/zinc/29/49/55/1124294955.db2.gz AEGJAIDDYDVOTL-UHFFFAOYSA-N 0 0 337.423 2.399 40 0 EEABRN O=C(Cc1cccs1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000056921649 214394923 /nfs/dbraw/zinc/39/49/23/214394923.db2.gz WILWXOMITLWYOU-CQSZACIVSA-N 0 0 336.482 2.230 40 0 EEABRN C[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc3c2OCCO3)C1=O ZINC000058156723 214483966 /nfs/dbraw/zinc/48/39/66/214483966.db2.gz SASGSAFSOZWCMN-IBGZPJMESA-N 0 0 338.363 2.425 40 0 EEABRN CCc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O ZINC000022273189 529586557 /nfs/dbraw/zinc/58/65/57/529586557.db2.gz ZKIVGDJMIFSYNF-UHFFFAOYSA-N 0 0 346.452 2.331 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C ZINC000072527274 282334525 /nfs/dbraw/zinc/33/45/25/282334525.db2.gz COWSTCHMZWILEV-HNNXBMFYSA-N 0 0 349.394 2.440 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NC3[C@@H]4CCCC[C@H]34)cc2oc1=O ZINC000012241622 201834007 /nfs/dbraw/zinc/83/40/07/201834007.db2.gz MJQQMLGHBMEAPK-ODOQXGPZSA-N 0 0 336.413 2.081 40 0 EEABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000224738456 539658665 /nfs/dbraw/zinc/65/86/65/539658665.db2.gz FAZHSDLQUKTLEL-VXGBXAGGSA-N 0 0 333.837 2.273 40 0 EEABRN CC[C@H]1CN(CCNC(=O)c2ccc(F)c3ccncc23)CCO1 ZINC000585108351 539980477 /nfs/dbraw/zinc/98/04/77/539980477.db2.gz UQPAGVAOIBDSHD-ZDUSSCGKSA-N 0 0 331.391 2.215 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCCN(c3ccccn3)CC2)s1 ZINC000019217285 202001589 /nfs/dbraw/zinc/00/15/89/202001589.db2.gz BCGQLCKFBUHVSV-UHFFFAOYSA-N 0 0 337.470 2.353 40 0 EEABRN O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000019293088 202002803 /nfs/dbraw/zinc/00/28/03/202002803.db2.gz UWQNTURJGCORIF-GFCCVEGCSA-N 0 0 331.391 2.375 40 0 EEABRN CC(=O)N1CCC(c2nnc3n2CCN(C[C@H]2CC=CCC2)C3)CC1 ZINC000019711247 202016535 /nfs/dbraw/zinc/01/65/35/202016535.db2.gz NNTCSKVQYNOQPX-INIZCTEOSA-N 0 0 343.475 2.176 40 0 EEABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1CCOCC1 ZINC000020481765 202045540 /nfs/dbraw/zinc/04/55/40/202045540.db2.gz BBLMCJVXSCUVGU-MRXNPFEDSA-N 0 0 334.460 2.416 40 0 EEABRN CC(=O)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1OC(C)=O ZINC000022056569 202078282 /nfs/dbraw/zinc/07/82/82/202078282.db2.gz CEEWHAMHKUWUMK-CVEARBPZSA-N 0 0 335.356 2.240 40 0 in-vitro EEABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1S(N)(=O)=O ZINC000029651251 202190045 /nfs/dbraw/zinc/19/00/45/202190045.db2.gz ZIQXZQCHYDLMBY-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN O=C(CN(CCO)c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000096461289 237059905 /nfs/dbraw/zinc/05/99/05/237059905.db2.gz WJNWVZVNXZGTOD-ZDUSSCGKSA-N 0 0 330.350 2.286 40 0 EEABRN O=C(CC1(O)CCCC1)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000073385187 202369419 /nfs/dbraw/zinc/36/94/19/202369419.db2.gz IMAMKORUYSNXTO-MRXNPFEDSA-N 0 0 336.476 2.323 40 0 EEABRN O=C(NCCCn1ccnc1)c1cc(Sc2ncccn2)ccn1 ZINC000072243493 202357629 /nfs/dbraw/zinc/35/76/29/202357629.db2.gz YBXNQRSHHDCOFV-UHFFFAOYSA-N 0 0 340.412 2.039 40 0 EEABRN O=C(NCC1(NC(=O)c2ccccc2)CCOCC1)c1ccccc1 ZINC000074144802 202373009 /nfs/dbraw/zinc/37/30/09/202373009.db2.gz AGCXVIUTUWVMBR-UHFFFAOYSA-N 0 0 338.407 2.396 40 0 EEABRN CCc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000074581915 202374149 /nfs/dbraw/zinc/37/41/49/202374149.db2.gz LCKOHFCIIUKZGF-OCCSQVGLSA-N 0 0 330.413 2.259 40 0 EEABRN CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000075157579 202377205 /nfs/dbraw/zinc/37/72/05/202377205.db2.gz GSZWMARTFAPCJK-MRXNPFEDSA-N 0 0 343.514 2.348 40 0 EEABRN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N1CCS(=O)(=O)CC1 ZINC000078446884 202395603 /nfs/dbraw/zinc/39/56/03/202395603.db2.gz ZNWKUXNIYNWTCD-AWEZNQCLSA-N 0 0 346.452 2.211 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1cncc(F)c1 ZINC000078499393 202396454 /nfs/dbraw/zinc/39/64/54/202396454.db2.gz JMLGIXUJNOSKRY-DKRLNXSXSA-N 0 0 340.354 2.360 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000078663575 202398912 /nfs/dbraw/zinc/39/89/12/202398912.db2.gz WQDWPYBGLGAZIU-ZDUSSCGKSA-N 0 0 326.404 2.080 40 0 EEABRN O=C(Cc1ccccc1O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000078394338 202390246 /nfs/dbraw/zinc/39/02/46/202390246.db2.gz KMEOMYDCURVTPC-UHFFFAOYSA-N 0 0 342.370 2.058 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[C@@H](C)C2)ccc1=O ZINC000077768643 202393236 /nfs/dbraw/zinc/39/32/36/202393236.db2.gz NMEQODKMLCOBRI-KGLIPLIRSA-N 0 0 333.432 2.139 40 0 EEABRN CC[C@H](C)n1nccc1NC(=O)CN1CC(=O)Nc2ccccc21 ZINC000079095036 202425608 /nfs/dbraw/zinc/42/56/08/202425608.db2.gz UDJPHWVSHCMFEK-LBPRGKRZSA-N 0 0 327.388 2.251 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2cccc(Br)c2)[C@@H]1C ZINC000190039060 238185059 /nfs/dbraw/zinc/18/50/59/238185059.db2.gz RHGXBQVSVQWAMA-NXEZZACHSA-N 0 0 341.205 2.023 40 0 EEABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1ccco1)C2 ZINC000085473820 202619570 /nfs/dbraw/zinc/61/95/70/202619570.db2.gz ANKBSKVNEZWSCX-NSHDSACASA-N 0 0 347.440 2.172 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000195563986 241012176 /nfs/dbraw/zinc/01/21/76/241012176.db2.gz LFWUQKGLSQYVTQ-ARFHVFGLSA-N 0 0 342.420 2.370 40 0 EEABRN COC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605306 241334708 /nfs/dbraw/zinc/33/47/08/241334708.db2.gz WPOTWRTXDKCUDH-IXDOHACOSA-N 0 0 335.400 2.109 40 0 EEABRN CC[C@@]1(CO)CCCN1C(=O)NCCc1nn(C)c2ccccc12 ZINC000225492670 241897498 /nfs/dbraw/zinc/89/74/98/241897498.db2.gz XLBWXSWTHIRMHO-SFHVURJKSA-N 0 0 330.432 2.062 40 0 EEABRN COCC1(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2=O)CCC1 ZINC000225810592 242048628 /nfs/dbraw/zinc/04/86/28/242048628.db2.gz PSFFWXQBMHWRQP-MRXNPFEDSA-N 0 0 346.427 2.124 40 0 EEABRN O=C(COc1nn(-c2ccccc2)cc1Cl)NC[C@H]1CCCO1 ZINC000227151994 242124021 /nfs/dbraw/zinc/12/40/21/242124021.db2.gz KQUQHSFYBCVBIT-CYBMUJFWSA-N 0 0 335.791 2.200 40 0 EEABRN O=C(COc1ccc(Cl)cc1)NC(=S)NCc1cccnc1 ZINC000006269251 201677402 /nfs/dbraw/zinc/67/74/02/201677402.db2.gz RVPONYMCVDLVNS-UHFFFAOYSA-N 0 0 335.816 2.305 40 0 EEABRN Cc1cccc(COCC[C@@H]2CCOC23CN(c2ncccn2)C3)n1 ZINC000247872094 243470397 /nfs/dbraw/zinc/47/03/97/243470397.db2.gz LNOJOILDTQSEHJ-MRXNPFEDSA-N 0 0 340.427 2.382 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCOC[C@H]2C[C@H](C)O)c1 ZINC000248719128 243611922 /nfs/dbraw/zinc/61/19/22/243611922.db2.gz LIFSSYZBXDKPHR-XYJFISCASA-N 0 0 334.460 2.416 40 0 EEABRN CN(C)c1ccc(N2CCC(N3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 ZINC000253630267 244042556 /nfs/dbraw/zinc/04/25/56/244042556.db2.gz TUDGABAKCYZZFR-KRWDZBQOSA-N 0 0 342.443 2.148 40 0 EEABRN Cc1cncc([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257217274 244171872 /nfs/dbraw/zinc/17/18/72/244171872.db2.gz CYHVVPZJCFIKEN-KRWDZBQOSA-N 0 0 334.383 2.343 40 0 EEABRN CCc1nnc(Nc2cccc([C@H]3CN(C(C)=O)CCO3)n2)s1 ZINC000257218649 244175315 /nfs/dbraw/zinc/17/53/15/244175315.db2.gz DDYZRIVGBWMMND-GFCCVEGCSA-N 0 0 333.417 2.159 40 0 EEABRN CCN1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000071937040 203154617 /nfs/dbraw/zinc/15/46/17/203154617.db2.gz HBRBUCNKJATJPJ-UHFFFAOYSA-N 0 0 331.460 2.082 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1F ZINC000257227190 244203286 /nfs/dbraw/zinc/20/32/86/244203286.db2.gz FOBDSULRQRJZED-MRXNPFEDSA-N 0 0 329.375 2.398 40 0 EEABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378565 203208845 /nfs/dbraw/zinc/20/88/45/203208845.db2.gz YJAVYVDRVXPFOP-CQSZACIVSA-N 0 0 336.399 2.319 40 0 EEABRN Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2ccccn2)n1 ZINC000257243229 244250386 /nfs/dbraw/zinc/25/03/86/244250386.db2.gz IFZDTHSUNALXKA-INIZCTEOSA-N 0 0 325.416 2.219 40 0 EEABRN COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2nc(C)c[nH]2)n1 ZINC000257243894 244250759 /nfs/dbraw/zinc/25/07/59/244250759.db2.gz IJANYGZVVSEYDX-CQSZACIVSA-N 0 0 329.404 2.184 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(Cc3cccc(C)n3)CCN2C)c1 ZINC000257237976 244234227 /nfs/dbraw/zinc/23/42/27/244234227.db2.gz HJBQKHUXBRDOSX-IBGZPJMESA-N 0 0 338.455 2.238 40 0 EEABRN Cc1cccc(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000072331163 203202495 /nfs/dbraw/zinc/20/24/95/203202495.db2.gz MEPZHODJNZFHLB-UHFFFAOYSA-N 0 0 327.336 2.448 40 0 EEABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2CCOC)nc1C ZINC000072346285 203203366 /nfs/dbraw/zinc/20/33/66/203203366.db2.gz BUPBPBPXFYEPMV-INIZCTEOSA-N 0 0 334.464 2.440 40 0 EEABRN O=C(c1cccc2ncccc21)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257239497 244238355 /nfs/dbraw/zinc/23/83/55/244238355.db2.gz HPNPJKGDDMCAJF-KRWDZBQOSA-N 0 0 326.396 2.381 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072361972 203205945 /nfs/dbraw/zinc/20/59/45/203205945.db2.gz VIMJVQAQJMSJQI-CYBMUJFWSA-N 0 0 333.413 2.408 40 0 EEABRN CCC(=O)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1 ZINC000072362181 203206795 /nfs/dbraw/zinc/20/67/95/203206795.db2.gz RIYQRDMNFHKGSG-UHFFFAOYSA-N 0 0 326.404 2.201 40 0 EEABRN CCCn1cc(CN2CCC[C@H]2c2cccc(CCC(N)=O)n2)cn1 ZINC000072367203 203207469 /nfs/dbraw/zinc/20/74/69/203207469.db2.gz HMLOHJRANRQSAD-SFHVURJKSA-N 0 0 341.459 2.443 40 0 EEABRN CN(C)c1ncc(CN2CCC([C@H]3CCCCN(C)C3=O)CC2)cn1 ZINC000072372005 203208477 /nfs/dbraw/zinc/20/84/77/203208477.db2.gz HNJMHGQMVQIJTN-QGZVFWFLSA-N 0 0 345.491 2.013 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)CCn3nccc3C)C2)ccn1 ZINC000257248813 244262223 /nfs/dbraw/zinc/26/22/23/244262223.db2.gz JFHRFOJIAQJQNE-MRXNPFEDSA-N 0 0 327.432 2.425 40 0 EEABRN O=C(c1ccc(N2CCCC2)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257259007 244289394 /nfs/dbraw/zinc/28/93/94/244289394.db2.gz KWKPUBOEWFOKLK-HKUYNNGSSA-N 0 0 330.428 2.043 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Cc4cc[nH]n4)C3)cc2n1 ZINC000257258622 244290029 /nfs/dbraw/zinc/29/00/29/244290029.db2.gz KUVBLEVCXUUKQJ-AWEZNQCLSA-N 0 0 338.415 2.164 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2ccccn2)CCN1C(C)=O ZINC000257262329 244351303 /nfs/dbraw/zinc/35/13/03/244351303.db2.gz LKYSRNBLNYZTCI-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000075433441 203314675 /nfs/dbraw/zinc/31/46/75/203314675.db2.gz AHEHYHDWCJFHLI-UHFFFAOYSA-N 0 0 348.449 2.387 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)C[C@H]1c1ccccc1 ZINC000257307447 244481488 /nfs/dbraw/zinc/48/14/88/244481488.db2.gz SYRBHNUUJYDJBJ-SFHVURJKSA-N 0 0 341.411 2.266 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 ZINC000257308082 244482165 /nfs/dbraw/zinc/48/21/65/244482165.db2.gz TVIMQWYDIKWLNG-MRXNPFEDSA-N 0 0 337.383 2.183 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)on1 ZINC000257303628 244468925 /nfs/dbraw/zinc/46/89/25/244468925.db2.gz SHZMCUORCMTPHQ-NVXWUHKLSA-N 0 0 334.347 2.167 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCc2cc(OC)no2)nc(C)n1 ZINC000257303800 244469252 /nfs/dbraw/zinc/46/92/52/244469252.db2.gz SITMDECSQLUQGM-CQSZACIVSA-N 0 0 345.403 2.120 40 0 EEABRN O=C(CCCc1ccncc1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257344520 244580965 /nfs/dbraw/zinc/58/09/65/244580965.db2.gz ZXRHYEQYSGTTRO-SFHVURJKSA-N 0 0 340.427 2.055 40 0 EEABRN Cc1cc(C)n(CCNC(=O)CCn2ncc3c2cccc3C)n1 ZINC000040758518 203677325 /nfs/dbraw/zinc/67/73/25/203677325.db2.gz WOMXPOPKUGYMMG-UHFFFAOYSA-N 0 0 325.416 2.365 40 0 EEABRN c1csc([C@H](c2nnnn2Cc2ccccc2)N2CCOCC2)c1 ZINC000019372858 212023982 /nfs/dbraw/zinc/02/39/82/212023982.db2.gz UBRGQNRYOZSQFP-MRXNPFEDSA-N 0 0 341.440 2.205 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107319 203835037 /nfs/dbraw/zinc/83/50/37/203835037.db2.gz PFQDIONCPCIZHA-MJGOQNOKSA-N 0 0 345.443 2.438 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N3CC3CC3)C2)cn1 ZINC000096071202 203823326 /nfs/dbraw/zinc/82/33/26/203823326.db2.gz ISHFUSBTDFZSBM-IBGZPJMESA-N 0 0 327.428 2.397 40 0 EEABRN COc1ncccc1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC000096197259 203859613 /nfs/dbraw/zinc/85/96/13/203859613.db2.gz ZSRPYUNEYCFVHA-UHFFFAOYSA-N 0 0 341.459 2.288 40 0 EEABRN Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@H]4CCCO4)CCO3)C2)c1 ZINC000096226268 203876088 /nfs/dbraw/zinc/87/60/88/203876088.db2.gz DKAOEKCMSXYTFH-UYAOXDASSA-N 0 0 344.455 2.372 40 0 EEABRN CC(C)CC(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096227442 203877357 /nfs/dbraw/zinc/87/73/57/203877357.db2.gz GSSATVGBFKEMEV-LPHOPBHVSA-N 0 0 329.444 2.325 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255532 203885101 /nfs/dbraw/zinc/88/51/01/203885101.db2.gz NDPBPVKPUSRICR-UHFFFAOYSA-N 0 0 329.404 2.143 40 0 EEABRN Cc1nn(C)cc1CN(C)C(=O)[C@@]1(C)Sc2ccccc2NC1=O ZINC000041644525 204050577 /nfs/dbraw/zinc/05/05/77/204050577.db2.gz ABIWJTVPPSHSJG-KRWDZBQOSA-N 0 0 344.440 2.190 40 0 EEABRN COc1ccc(OC)c(NC(=O)C(=O)NCc2ccccc2C)c1 ZINC000042646636 204117505 /nfs/dbraw/zinc/11/75/05/204117505.db2.gz INAQESAOXKBYKO-UHFFFAOYSA-N 0 0 328.368 2.267 40 0 EEABRN Cc1nc(COC[C@@H]2Cn3nccc3CN([C@H]3CCOC3)C2)cs1 ZINC000107210914 204227882 /nfs/dbraw/zinc/22/78/82/204227882.db2.gz WPPPUARNUCANRV-YOEHRIQHSA-N 0 0 348.472 2.086 40 0 EEABRN Fc1cnc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2nccs2)C3)nc1 ZINC000107731220 204245578 /nfs/dbraw/zinc/24/55/78/204245578.db2.gz NWGHCNJMFFIDLZ-CZUORRHYSA-N 0 0 349.435 2.308 40 0 EEABRN O=C(NCCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCC(=O)N2 ZINC000044889453 204309816 /nfs/dbraw/zinc/30/98/16/204309816.db2.gz RAARUFZQMKKDLU-UHFFFAOYSA-N 0 0 338.363 2.273 40 0 EEABRN CC1(C)[C@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@H]2CCO[C@@H]21 ZINC000110681177 204320798 /nfs/dbraw/zinc/32/07/98/204320798.db2.gz VCOWYBYMEROAQN-CWRNSKLLSA-N 0 0 345.374 2.436 40 0 EEABRN O=C(CCNC(=O)COc1ccc(Cl)cc1)Nc1ccccn1 ZINC000045829547 204331751 /nfs/dbraw/zinc/33/17/51/204331751.db2.gz AYCSDHMSOARHRU-UHFFFAOYSA-N 0 0 333.775 2.259 40 0 EEABRN Cc1noc(C)c1CN1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000044448676 204299798 /nfs/dbraw/zinc/29/97/98/204299798.db2.gz DYCNJNPXEMWSNJ-INIZCTEOSA-N 0 0 343.427 2.403 40 0 EEABRN CCN(CC)C(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1 ZINC000000418506 205456314 /nfs/dbraw/zinc/45/63/14/205456314.db2.gz NZWBZZPJWFQFCO-UHFFFAOYSA-N 0 0 331.420 2.243 40 0 EEABRN O=S(=O)(N[C@@H]1CCCC[C@H]1n1cccn1)c1c[nH]c2ncccc12 ZINC000081187138 217369365 /nfs/dbraw/zinc/36/93/65/217369365.db2.gz HCUSBQXRFRZYKQ-ZIAGYGMSSA-N 0 0 345.428 2.222 40 0 EEABRN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000004497867 205710178 /nfs/dbraw/zinc/71/01/78/205710178.db2.gz NURZEVMTAACBRP-LBPRGKRZSA-N 0 0 344.864 2.267 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000095389650 218321838 /nfs/dbraw/zinc/32/18/38/218321838.db2.gz KTNBBCXMRBVDCL-KURKYZTESA-N 0 0 342.439 2.350 40 0 EEABRN O=C(CCCNC(=O)C1CC1)NC1(c2ccccc2)CCOCC1 ZINC000095395731 218326886 /nfs/dbraw/zinc/32/68/86/218326886.db2.gz YNUZWDIAYWCYAO-UHFFFAOYSA-N 0 0 330.428 2.115 40 0 EEABRN O=C(NCCCc1ccc(Br)cc1F)[C@H]1COCCO1 ZINC000096407439 218759360 /nfs/dbraw/zinc/75/93/60/218759360.db2.gz RRSNSYREYPEZOJ-CYBMUJFWSA-N 0 0 346.196 2.052 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)s1 ZINC000096415579 218775911 /nfs/dbraw/zinc/77/59/11/218775911.db2.gz JKEAWNWNRZMGEU-WCFLWFBJSA-N 0 0 344.502 2.205 40 0 EEABRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(=O)[nH]n1 ZINC000096431540 218805814 /nfs/dbraw/zinc/80/58/14/218805814.db2.gz LEVXOWNNZUAJGW-VIFPVBQESA-N 0 0 326.139 2.353 40 0 EEABRN O=C(CCN1C(=O)CCC1=O)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000096432703 218808615 /nfs/dbraw/zinc/80/86/15/218808615.db2.gz LHSNEOQHYMPETK-KRWDZBQOSA-N 0 0 336.338 2.071 40 0 EEABRN COCC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437041 285164318 /nfs/dbraw/zinc/16/43/18/285164318.db2.gz UNABEPSGZUYYMQ-UFBFGSQYSA-N 0 0 333.201 2.129 40 0 EEABRN COCC1(O)CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000270631664 256155659 /nfs/dbraw/zinc/15/56/59/256155659.db2.gz IXLZGIIFGABPMC-UHFFFAOYSA-N 0 0 341.839 2.411 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408545786 257897492 /nfs/dbraw/zinc/89/74/92/257897492.db2.gz OGIDITWYHXUTEL-UONOGXRCSA-N 0 0 326.462 2.454 40 0 EEABRN c1csc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)n1 ZINC000306126002 257917750 /nfs/dbraw/zinc/91/77/50/257917750.db2.gz DIUXLVQUVVIDCE-AWEZNQCLSA-N 0 0 327.413 2.371 40 0 EEABRN c1cc2n(n1)C[C@@H](CCNc1ncccn1)CN(Cc1ccncc1)C2 ZINC000306131124 257919900 /nfs/dbraw/zinc/91/99/00/257919900.db2.gz JXHKVXFPMUHWJQ-KRWDZBQOSA-N 0 0 349.442 2.202 40 0 EEABRN CCN1CC[C@H](NC(=O)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501402 285399978 /nfs/dbraw/zinc/39/99/78/285399978.db2.gz XJTIVDSEXJZSJF-BBRMVZONSA-N 0 0 330.350 2.392 40 0 EEABRN O=S(=O)(c1cccnc1)N1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000096428606 296472940 /nfs/dbraw/zinc/47/29/40/296472940.db2.gz VOLQLFKZAIAEQV-HNNXBMFYSA-N 0 0 340.408 2.271 40 0 EEABRN Cc1ccccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000057363926 132200126 /nfs/dbraw/zinc/20/01/26/132200126.db2.gz YTOKYZBXKVRKBD-UHFFFAOYSA-N 0 0 325.412 2.461 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)c[nH]1 ZINC000095448123 132822842 /nfs/dbraw/zinc/82/28/42/132822842.db2.gz PFVJKHBDNDXASG-ZDUSSCGKSA-N 0 0 329.375 2.221 40 0 EEABRN C[C@H]1C[C@H](C)CN(C(=O)CN2c3ccccc3C3=NCCN3C2=O)C1 ZINC000012183013 135692775 /nfs/dbraw/zinc/69/27/75/135692775.db2.gz JOEUPBBDMRIFRG-KBPBESRZSA-N 0 0 340.427 2.193 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccncc2)C1 ZINC000012088591 286664897 /nfs/dbraw/zinc/66/48/97/286664897.db2.gz KPIJTEBIILDVMM-HNNXBMFYSA-N 0 0 346.456 2.376 40 0 EEABRN O=C(NCc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000339582345 160851104 /nfs/dbraw/zinc/85/11/04/160851104.db2.gz ROMQNURXUIQPTA-UHFFFAOYSA-N 0 0 347.212 2.382 40 0 EEABRN Cc1cc(C)nc(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)n1 ZINC000283042997 269529611 /nfs/dbraw/zinc/52/96/11/269529611.db2.gz NOVVJMSLQRHEHW-KRWDZBQOSA-N 0 0 339.443 2.021 40 0 EEABRN O=C(c1ccco1)N1[C@@H]2CC[C@H]1Cc1nc3ccccc3c(=O)n1C2 ZINC000072327383 275014507 /nfs/dbraw/zinc/01/45/07/275014507.db2.gz CCEXIHWKIKYSBB-QWHCGFSZSA-N 0 0 335.363 2.219 40 0 EEABRN Cc1ccc2c(c1)CC[C@@H](c1nc([C@@H]3CCS(=O)(=O)C3)no1)O2 ZINC000290182663 275187426 /nfs/dbraw/zinc/18/74/26/275187426.db2.gz SMFCAYJBRQCQGD-OCCSQVGLSA-N 0 0 334.397 2.346 40 0 EEABRN CC1=C[C@H]2[C@@H]3C(=O)NC(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000104077492 276186219 /nfs/dbraw/zinc/18/62/19/276186219.db2.gz IJKCBAOIEJHMCO-JONQDZQNSA-N 0 0 338.407 2.165 40 0 EEABRN CN(C)C(=O)c1ccc2c(c1)C1(CN2S(C)(=O)=O)CCCCC1 ZINC000248066335 276749233 /nfs/dbraw/zinc/74/92/33/276749233.db2.gz ZSKDDMBUONBCJG-UHFFFAOYSA-N 0 0 336.457 2.370 40 0 EEABRN COC(=O)c1sccc1CN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095410299 277174891 /nfs/dbraw/zinc/17/48/91/277174891.db2.gz LTCKUWOUNBPXFM-UHFFFAOYSA-N 0 0 347.440 2.211 40 0 EEABRN COC(=O)c1sccc1CN1CCCN(c2ncccn2)CC1 ZINC000088520304 277175052 /nfs/dbraw/zinc/17/50/52/277175052.db2.gz HMFGDIHJKOTDNT-UHFFFAOYSA-N 0 0 332.429 2.037 40 0 EEABRN COCC(=O)N1CCC2(C[C@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052734 277479571 /nfs/dbraw/zinc/47/95/71/277479571.db2.gz WQTHFOIGYUJEAP-HNNXBMFYSA-N 0 0 344.455 2.159 40 0 EEABRN CC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C ZINC000096143255 278053117 /nfs/dbraw/zinc/05/31/17/278053117.db2.gz UVKPJUQPXLSTLB-QGZVFWFLSA-N 0 0 336.457 2.185 40 0 EEABRN COc1ncccc1CN1Cc2cccn2C[C@H](C(=O)NC(C)C)C1 ZINC000248033281 278095192 /nfs/dbraw/zinc/09/51/92/278095192.db2.gz YHLGSPCDLQZFSC-MRXNPFEDSA-N 0 0 342.443 2.048 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1cccc(C)n1 ZINC000257338379 278125133 /nfs/dbraw/zinc/12/51/33/278125133.db2.gz YXCGMHVTPSZHOR-MRXNPFEDSA-N 0 0 325.416 2.466 40 0 EEABRN Cc1ncc(CNS(=O)(=O)c2ccccc2)c([C@@H]2CCCN2C)n1 ZINC000257282662 279153739 /nfs/dbraw/zinc/15/37/39/279153739.db2.gz OURMFJSUTBPKNZ-INIZCTEOSA-N 0 0 346.456 2.030 40 0 EEABRN CCOC[C@H]1C[C@@]2(CO1)COCCN2C(=O)c1sccc1C ZINC000096240720 279752126 /nfs/dbraw/zinc/75/21/26/279752126.db2.gz DBSANQQIPVWONE-CJNGLKHVSA-N 0 0 325.430 2.093 40 0 EEABRN O=C(c1ccnnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096093236 280221709 /nfs/dbraw/zinc/22/17/09/280221709.db2.gz JQSWZQYAHKYJJS-IEBWSBKVSA-N 0 0 339.395 2.319 40 0 EEABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000019499668 282038843 /nfs/dbraw/zinc/03/88/43/282038843.db2.gz ZMILAUPYXLREIV-KRWDZBQOSA-N 0 0 342.491 2.463 40 0 EEABRN COc1ccc([C@@H]2[C@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072242114 295230837 /nfs/dbraw/zinc/23/08/37/295230837.db2.gz OCUZXJSNAONLLV-NVXWUHKLSA-N 0 0 348.468 2.180 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 ZINC000019495871 297301377 /nfs/dbraw/zinc/30/13/77/297301377.db2.gz HZHAWUQIVXELRR-HIFRSBDPSA-N 0 0 342.439 2.481 40 0 EEABRN C[C@H]1CCSCCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000225623848 300023748 /nfs/dbraw/zinc/02/37/48/300023748.db2.gz XFVIAEZOHZXBBR-QWRGUYRKSA-N 0 0 325.400 2.160 40 0 EEABRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426245 301021579 /nfs/dbraw/zinc/02/15/79/301021579.db2.gz RHDINVAZTBWSPQ-NSHDSACASA-N 0 0 338.429 2.246 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 ZINC000096181732 302003784 /nfs/dbraw/zinc/00/37/84/302003784.db2.gz ZDQRIWJJMHKVRV-IAGOWNOFSA-N 0 0 343.358 2.066 40 0 EEABRN CCC[C@@H]1CCc2c(sc(=O)n2CCCS(=O)(=O)N(C)C)C1 ZINC000330747334 311782787 /nfs/dbraw/zinc/78/27/87/311782787.db2.gz WZTCDSAVHLVECK-GFCCVEGCSA-N 0 0 346.518 2.096 40 0 EEABRN CCC[C@H]1CCc2c(sc(=O)n2CCCS(=O)(=O)N(C)C)C1 ZINC000330747336 311783008 /nfs/dbraw/zinc/78/30/08/311783008.db2.gz WZTCDSAVHLVECK-LBPRGKRZSA-N 0 0 346.518 2.096 40 0 EEABRN CN(C(=O)CCc1cncc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000097102300 323321203 /nfs/dbraw/zinc/32/12/03/323321203.db2.gz JFQCRHDCHRBDJI-UHFFFAOYSA-N 0 0 336.388 2.220 40 0 EEABRN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCSCC[C@@H]1C)CC2 ZINC000189145284 323462045 /nfs/dbraw/zinc/46/20/45/323462045.db2.gz AYWPHWBCLWRYQT-STQMWFEESA-N 0 0 337.493 2.253 40 0 EEABRN Cc1cnc([C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C2CC2)s1 ZINC000390834150 323545665 /nfs/dbraw/zinc/54/56/65/323545665.db2.gz SUXUCGMYUHHLAR-ZDUSSCGKSA-N 0 0 344.396 2.059 40 0 EEABRN Cc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cnn1C ZINC000000374752 462557522 /nfs/dbraw/zinc/55/75/22/462557522.db2.gz FSKHYCSYVMBRKM-UHFFFAOYSA-N 0 0 327.310 2.460 40 0 EEABRN O=C(NCCNC(=O)c1cc(F)ccc1F)c1[nH]nc2ccccc21 ZINC000060332267 462541586 /nfs/dbraw/zinc/54/15/86/462541586.db2.gz ZTTTZDOQBRZTGZ-UHFFFAOYSA-N 0 0 344.321 2.001 40 0 EEABRN CCOC(=O)c1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1C ZINC000000151882 462544293 /nfs/dbraw/zinc/54/42/93/462544293.db2.gz HSAZTZYOODOGJK-LBPRGKRZSA-N 0 0 348.380 2.407 40 0 EEABRN CC(=O)c1ccc(NC(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)cc1 ZINC000085473703 462550716 /nfs/dbraw/zinc/55/07/16/462550716.db2.gz WNGJFAMYKKTOPR-CYBMUJFWSA-N 0 0 343.408 2.115 40 0 EEABRN CC(C)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C ZINC000000410622 462559109 /nfs/dbraw/zinc/55/91/09/462559109.db2.gz VCHHKGVEUCBUOF-UHFFFAOYSA-N 0 0 348.428 2.441 40 0 EEABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000000428954 462562469 /nfs/dbraw/zinc/56/24/69/462562469.db2.gz JGJHRITWHMXHCX-UHFFFAOYSA-N 0 0 334.441 2.160 40 0 EEABRN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000001357917 462580252 /nfs/dbraw/zinc/58/02/52/462580252.db2.gz BSMKDMBLIQTZKA-OAHLLOKOSA-N 0 0 326.400 2.018 40 0 EEABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1 ZINC000001357624 462580606 /nfs/dbraw/zinc/58/06/06/462580606.db2.gz HJKGSAHLPXABDF-UHFFFAOYSA-N 0 0 348.432 2.333 40 0 EEABRN CS(=O)(=O)Nc1cc(C(=O)NCc2cccnc2)ccc1Cl ZINC000061341772 462582166 /nfs/dbraw/zinc/58/21/66/462582166.db2.gz BUEWAIFDAPBWNV-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN CCOC(=O)C[C@@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC ZINC000001587620 462583534 /nfs/dbraw/zinc/58/35/34/462583534.db2.gz HWXPHMSHYRNUQR-AWEZNQCLSA-N 0 0 336.384 2.466 40 0 EEABRN CC(=O)N1C(=N)S/C(=C/c2cc3cccc(C)c3[nH]c2=O)C1=O ZINC000004115703 462627468 /nfs/dbraw/zinc/62/74/68/462627468.db2.gz YBWIOIOQOBHGOK-YFTBJILESA-N 0 0 327.365 2.234 40 0 EEABRN CCOc1ccc(N2C[C@@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 ZINC000004513007 462634224 /nfs/dbraw/zinc/63/42/24/462634224.db2.gz ZZKCKXLXNOWHFZ-KFWWJZLASA-N 0 0 346.427 2.074 40 0 EEABRN CCN(CC)C(=[NH2+])NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000004899855 462639735 /nfs/dbraw/zinc/63/97/35/462639735.db2.gz PDZKOXOIRMROAB-GFCCVEGCSA-N 0 0 344.456 2.001 40 0 EEABRN C[C@H](NC(=O)c1ccc(Cl)nc1)c1nnc(-c2ccncc2)[nH]1 ZINC000005001922 462644048 /nfs/dbraw/zinc/64/40/48/462644048.db2.gz LCXPYZMHUNTEFR-VIFPVBQESA-N 0 0 328.763 2.406 40 0 EEABRN O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000005466681 462660887 /nfs/dbraw/zinc/66/08/87/462660887.db2.gz ODANNZUHNPKMAC-INIZCTEOSA-N 0 0 326.371 2.491 40 0 EEABRN CN1CC(=O)N[C@H]2c3ccccc3N(Cc3ccccc3)C=C2C1=O ZINC000005549736 462661805 /nfs/dbraw/zinc/66/18/05/462661805.db2.gz BBGTYAXHQWOYRC-IBGZPJMESA-N 0 0 333.391 2.220 40 0 EEABRN CC(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006325836 462682713 /nfs/dbraw/zinc/68/27/13/462682713.db2.gz LSJRYABKXBEDOW-NSHDSACASA-N 0 0 332.853 2.169 40 0 EEABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2OC)cc1 ZINC000046543643 462688355 /nfs/dbraw/zinc/68/83/55/462688355.db2.gz OYCTVHXJJHGULF-UHFFFAOYSA-N 0 0 337.397 2.061 40 0 EEABRN COc1ccc(/C=C/C(=O)NCc2cccnc2)c(OC)c1OC ZINC000006544974 462689780 /nfs/dbraw/zinc/68/97/80/462689780.db2.gz YIIVMWFWZZSHBA-VQHVLOKHSA-N 0 0 328.368 2.437 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)s1 ZINC000006679990 462696010 /nfs/dbraw/zinc/69/60/10/462696010.db2.gz TVKOGJBEWUITRV-UHFFFAOYSA-N 0 0 340.426 2.226 40 0 EEABRN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006779426 462704455 /nfs/dbraw/zinc/70/44/55/462704455.db2.gz ISKSGNJFHKSPCO-ZDUSSCGKSA-N 0 0 342.436 2.095 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000006944781 462714532 /nfs/dbraw/zinc/71/45/32/462714532.db2.gz SBKNAZACTOUONF-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN CN(C)C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000007236217 462726847 /nfs/dbraw/zinc/72/68/47/462726847.db2.gz PMMHMQFFFUOYAH-UHFFFAOYSA-N 0 0 340.836 2.228 40 0 EEABRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1 ZINC000008091617 462765801 /nfs/dbraw/zinc/76/58/01/462765801.db2.gz GBVKKQHUQJZRED-XYOKQWHBSA-N 0 0 343.295 2.386 40 0 EEABRN COC(=O)CN1C(=O)C(=Cc2cccc3ccccc23)NC1=S ZINC000008092018 462766260 /nfs/dbraw/zinc/76/62/60/462766260.db2.gz ZQKRQDWQDAYTKR-ZROIWOOFSA-N 0 0 326.377 2.070 40 0 EEABRN COc1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 ZINC000009189053 462800112 /nfs/dbraw/zinc/80/01/12/462800112.db2.gz WVIRWQUAWRBJFR-RVDMUPIBSA-N 0 0 335.388 2.374 40 0 EEABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccc(F)cc1 ZINC000012084913 462841883 /nfs/dbraw/zinc/84/18/83/462841883.db2.gz ZOESXQGWMINILQ-CYBMUJFWSA-N 0 0 343.402 2.470 40 0 EEABRN COc1cccc([C@@H](NC(=O)N2CCCC2)c2nccn2C)c1OC ZINC000012114965 462843207 /nfs/dbraw/zinc/84/32/07/462843207.db2.gz JJVGUTYEXGCFLJ-OAHLLOKOSA-N 0 0 344.415 2.332 40 0 EEABRN CC(C)c1nc2ccccc2c2nn(CC(=O)NC(C)(C)C)c(=O)n21 ZINC000012183456 462847211 /nfs/dbraw/zinc/84/72/11/462847211.db2.gz CZMVYFUVVXGZQO-UHFFFAOYSA-N 0 0 341.415 2.082 40 0 EEABRN O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cccnc1 ZINC000012362393 462851351 /nfs/dbraw/zinc/85/13/51/462851351.db2.gz HXDIVDGNFYZHJN-QGZVFWFLSA-N 0 0 349.431 2.336 40 0 EEABRN CCCCNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713617 462900873 /nfs/dbraw/zinc/90/08/73/462900873.db2.gz RENFEDZOEGKNLF-OAHLLOKOSA-N 0 0 326.462 2.456 40 0 EEABRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cnnn1C ZINC000091962094 462914885 /nfs/dbraw/zinc/91/48/85/462914885.db2.gz CWNRFIDLQONCDW-DNVCBOLYSA-N 0 0 342.491 2.251 40 0 EEABRN CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017321762 462997962 /nfs/dbraw/zinc/99/79/62/462997962.db2.gz RMRZHHUDCRNTFI-LBPRGKRZSA-N 0 0 342.436 2.141 40 0 EEABRN CCS(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@@H]2C1 ZINC000019520245 463017837 /nfs/dbraw/zinc/01/78/37/463017837.db2.gz WPZKDGBMMCTGQG-APHBMKBZSA-N 0 0 327.421 2.095 40 0 EEABRN CN1CC=CCC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000019744733 463020358 /nfs/dbraw/zinc/02/03/58/463020358.db2.gz LHQPBSUAHFLSGB-UHFFFAOYSA-N 0 0 345.418 2.265 40 0 EEABRN CC[C@@H](C)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000022241556 463047204 /nfs/dbraw/zinc/04/72/04/463047204.db2.gz ZZPYDASUHPMGNE-MRXNPFEDSA-N 0 0 334.460 2.417 40 0 EEABRN CN(C[C@H]1CCOC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000095447946 463087470 /nfs/dbraw/zinc/08/74/70/463087470.db2.gz DBJOERSMEDIVLD-CABCVRRESA-N 0 0 335.423 2.472 40 0 EEABRN COc1ccc([C@@H](N)c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095533827 463106236 /nfs/dbraw/zinc/10/62/36/463106236.db2.gz XDEFATUOXZXNAZ-QGZVFWFLSA-N 0 0 339.399 2.482 40 0 EEABRN COc1cc(C=O)ccc1OCc1nnnn1-c1ccc(F)cc1 ZINC000095533206 463106389 /nfs/dbraw/zinc/10/63/89/463106389.db2.gz SIQNWQSRWYOUKP-UHFFFAOYSA-N 0 0 328.303 2.202 40 0 EEABRN COc1cccc(NCc2nc([C@@H](N)c3cccc(OC)c3)n[nH]2)c1 ZINC000095533552 463106734 /nfs/dbraw/zinc/10/67/34/463106734.db2.gz ODTVUUCYTCKZKE-KRWDZBQOSA-N 0 0 339.399 2.482 40 0 EEABRN Cc1[nH]c2ccccc2c1CCNC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000135072533 463114741 /nfs/dbraw/zinc/11/47/41/463114741.db2.gz FMSGFGZNMNGURV-UKRRQHHQSA-N 0 0 345.443 2.200 40 0 EEABRN COc1ccc(-c2nnc(CNC(=O)c3cccc(Cl)n3)[nH]2)cc1 ZINC000078440391 463116936 /nfs/dbraw/zinc/11/69/36/463116936.db2.gz SREMXNHZGSNLQZ-UHFFFAOYSA-N 0 0 343.774 2.459 40 0 EEABRN CCc1nnc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)[nH]1 ZINC000157495575 463137217 /nfs/dbraw/zinc/13/72/17/463137217.db2.gz CMSOZNLOVDGJNR-UHFFFAOYSA-N 0 0 328.416 2.471 40 0 EEABRN Cc1nc(-c2ccccc2C)sc1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000096024520 463141317 /nfs/dbraw/zinc/14/13/17/463141317.db2.gz QTIMIFBUUIUXHQ-ZDUSSCGKSA-N 0 0 329.425 2.322 40 0 EEABRN Cc1cc(C)n2ncc(-c3noc([C@@H]4CC(=O)N(C(C)C)C4)n3)c2n1 ZINC000078774391 463147733 /nfs/dbraw/zinc/14/77/33/463147733.db2.gz SOHHQRQYCJKUGL-GFCCVEGCSA-N 0 0 340.387 2.120 40 0 EEABRN Cc1cnn(Cc2ccc(NC(=O)COC[C@@H]3CCCO3)cc2)c1 ZINC000078776165 463148574 /nfs/dbraw/zinc/14/85/74/463148574.db2.gz URSACKJICGBSOY-KRWDZBQOSA-N 0 0 329.400 2.374 40 0 EEABRN COC[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2ncn(C)c21 ZINC000096044791 463148741 /nfs/dbraw/zinc/14/87/41/463148741.db2.gz HMLOQYUYESZNTR-CQSZACIVSA-N 0 0 331.416 2.183 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046368 463150476 /nfs/dbraw/zinc/15/04/76/463150476.db2.gz FFTJQUIZNJLZNT-CWRNSKLLSA-N 0 0 342.399 2.382 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)cn1 ZINC000096046048 463150711 /nfs/dbraw/zinc/15/07/11/463150711.db2.gz RLDQPPPQSBFHIK-IACUBPJLSA-N 0 0 330.413 2.234 40 0 EEABRN CC(C)c1nnc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)o1 ZINC000096046279 463150751 /nfs/dbraw/zinc/15/07/51/463150751.db2.gz MPQWPBGVLXNMRK-SOUVJXGZSA-N 0 0 331.420 2.279 40 0 EEABRN Cc1csc([C@H]2C[C@@H]3CCN(C(=O)c4ccncn4)C[C@H]3O2)n1 ZINC000096046089 463150766 /nfs/dbraw/zinc/15/07/66/463150766.db2.gz QDMMTUUKIXLLQH-IACUBPJLSA-N 0 0 330.413 2.234 40 0 EEABRN COc1ccc(CN2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)cc1 ZINC000096056704 463158237 /nfs/dbraw/zinc/15/82/37/463158237.db2.gz NWUMOCIOLITBJO-QXAKKESOSA-N 0 0 344.455 2.201 40 0 EEABRN C[C@H]1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H]1OC[C@]4(CCCC(C)(C)[C@H]4C[C@H]2O)[C@H]13 ZINC000068601806 463158689 /nfs/dbraw/zinc/15/86/89/463158689.db2.gz LTTPBOKKKVOQID-VHLMNIANSA-N 0 0 334.456 2.165 40 0 EEABRN Cc1cccc(C(=O)N2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)n1 ZINC000096057978 463159459 /nfs/dbraw/zinc/15/94/59/463159459.db2.gz UILFIWANQOOJDT-RCCFBDPRSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)no1 ZINC000096065829 463164094 /nfs/dbraw/zinc/16/40/94/463164094.db2.gz YPYMGXQUHQUSBZ-RCCFBDPRSA-N 0 0 329.400 2.327 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000053455502 463165089 /nfs/dbraw/zinc/16/50/89/463165089.db2.gz VAACKTHTNNAUNT-NSHDSACASA-N 0 0 346.412 2.253 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)[nH]c1C ZINC000096068806 463165947 /nfs/dbraw/zinc/16/59/47/463165947.db2.gz NZKLCJGQIWNJIW-MRXNPFEDSA-N 0 0 343.431 2.019 40 0 EEABRN O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917060 463166795 /nfs/dbraw/zinc/16/67/95/463166795.db2.gz GOZVQHDIAWRTFU-JTQLQIEISA-N 0 0 338.383 2.211 40 0 EEABRN Cc1ccc(N2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)nn1 ZINC000096073235 463167880 /nfs/dbraw/zinc/16/78/80/463167880.db2.gz MJXFXMPOYWOQGW-MRXNPFEDSA-N 0 0 326.400 2.387 40 0 EEABRN Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000096084486 463170865 /nfs/dbraw/zinc/17/08/65/463170865.db2.gz BWNNIABOAIHPNY-UHFFFAOYSA-N 0 0 341.802 2.474 40 0 EEABRN Cn1nc(CNC(=O)CSc2ccc(F)cc2)c2c1CCOC2 ZINC000096103995 463174418 /nfs/dbraw/zinc/17/44/18/463174418.db2.gz XCUUXGQNKAPZCD-UHFFFAOYSA-N 0 0 335.404 2.040 40 0 EEABRN CCSc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 ZINC000079000216 463177114 /nfs/dbraw/zinc/17/71/14/463177114.db2.gz ZSEFATQEOUZOED-UHFFFAOYSA-N 0 0 343.456 2.336 40 0 EEABRN Cc1occc1CNC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000079028308 463181148 /nfs/dbraw/zinc/18/11/48/463181148.db2.gz KAIKPDXBSYTKHU-AWEZNQCLSA-N 0 0 331.347 2.332 40 0 EEABRN COc1ccc(CCC(=O)N2CCC(Oc3cccnn3)CC2)cc1 ZINC000096119335 463181521 /nfs/dbraw/zinc/18/15/21/463181521.db2.gz UBRGZDCEPNYPJU-UHFFFAOYSA-N 0 0 341.411 2.488 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000096158441 463188337 /nfs/dbraw/zinc/18/83/37/463188337.db2.gz JIRPIZLHLVGUQU-UHFFFAOYSA-N 0 0 337.427 2.394 40 0 EEABRN COCC(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1 ZINC000096158610 463188763 /nfs/dbraw/zinc/18/87/63/463188763.db2.gz SPKGJZCZMDVIEG-UHFFFAOYSA-N 0 0 348.418 2.346 40 0 EEABRN O=C(c1cscn1)N1CCC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096158122 463189217 /nfs/dbraw/zinc/18/92/17/463189217.db2.gz BUHVBLMULODMHM-INIZCTEOSA-N 0 0 329.429 2.066 40 0 EEABRN O=C(c1cccs1)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC000096185053 463195504 /nfs/dbraw/zinc/19/55/04/463195504.db2.gz NEANXPOEWZGFEP-ZNMIVQPWSA-N 0 0 337.441 2.031 40 0 EEABRN O=C(c1cccnc1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096187969 463200538 /nfs/dbraw/zinc/20/05/38/463200538.db2.gz CVEQWODBXDHXHM-HNNXBMFYSA-N 0 0 349.394 2.024 40 0 EEABRN CCc1nnsc1C(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000079352378 463208494 /nfs/dbraw/zinc/20/84/94/463208494.db2.gz PGITZAPOCAPYMU-GFCCVEGCSA-N 0 0 328.401 2.046 40 0 EEABRN O=C(CC1CC1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 ZINC000096207858 463209527 /nfs/dbraw/zinc/20/95/27/463209527.db2.gz MDCTYZXJYKRGAH-INIZCTEOSA-N 0 0 345.443 2.301 40 0 EEABRN COc1ccc(CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000027968901 463211740 /nfs/dbraw/zinc/21/17/40/463211740.db2.gz IGBMLWAUKDDMHL-UHFFFAOYSA-N 0 0 338.205 2.361 40 0 EEABRN CC(C)N(C[C@@H]1CC[N@H+](CC(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC000079413859 463213227 /nfs/dbraw/zinc/21/32/27/463213227.db2.gz GOFACNQMRPPIHH-MRXNPFEDSA-N 0 0 334.416 2.440 40 0 EEABRN Cc1ncoc1C(=O)N1CCOC[C@H]1c1csc(NCC2CC2)n1 ZINC000096216505 463215616 /nfs/dbraw/zinc/21/56/16/463215616.db2.gz QHSKZEZRMULVFB-ZDUSSCGKSA-N 0 0 348.428 2.475 40 0 EEABRN c1cncc(CNc2ccnc([C@H]3COCCN3C3CCC3)n2)c1 ZINC000096219942 463218212 /nfs/dbraw/zinc/21/82/12/463218212.db2.gz ZMXFJAUDXZERDL-MRXNPFEDSA-N 0 0 325.416 2.410 40 0 EEABRN Cn1cc(CN2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226222 463220896 /nfs/dbraw/zinc/22/08/96/463220896.db2.gz ILOQOXJMWVYZNS-IBGZPJMESA-N 0 0 326.444 2.292 40 0 EEABRN COc1ccc(N2C[C@]3(CCN(c4ccc(C)nn4)C3)CC2=O)cc1 ZINC000096238974 463224609 /nfs/dbraw/zinc/22/46/09/463224609.db2.gz BUKNXFVOULWVNG-LJQANCHMSA-N 0 0 338.411 2.427 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 ZINC000096240761 463225501 /nfs/dbraw/zinc/22/55/01/463225501.db2.gz ZCUUFGJJJZNQDQ-INIZCTEOSA-N 0 0 345.443 2.472 40 0 EEABRN O=C(c1cccc(F)c1)N1CC[C@H]2CN(c3ncccn3)CC[C@H]21 ZINC000096249217 463226773 /nfs/dbraw/zinc/22/67/73/463226773.db2.gz PDQNEJWEILKDPV-GOEBONIOSA-N 0 0 326.375 2.357 40 0 EEABRN Cc1nc2nnc3ccc(C(=O)N(C)C)cc3c2n1C[C@@H]1CCCO1 ZINC000096264327 463231103 /nfs/dbraw/zinc/23/11/03/463231103.db2.gz XOJSSNHNFYLLDZ-ZDUSSCGKSA-N 0 0 339.399 2.169 40 0 EEABRN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCC1CCC1 ZINC000096404887 463239505 /nfs/dbraw/zinc/23/95/05/463239505.db2.gz WNDSDEJETDJGSS-UHFFFAOYSA-N 0 0 331.441 2.253 40 0 EEABRN O=C(C[C@@H]1OCCc2ccccc21)NC[C@H](O)Cc1ccccc1 ZINC000096406918 463240311 /nfs/dbraw/zinc/24/03/11/463240311.db2.gz NBQFADVKERYEHR-MJGOQNOKSA-N 0 0 325.408 2.410 40 0 EEABRN Cc1nnc2ccc(NC[C@H](O)c3cccc(OC(C)C)c3)nn12 ZINC000096408685 463241308 /nfs/dbraw/zinc/24/13/08/463241308.db2.gz YWMMKNNSDOOPLK-HNNXBMFYSA-N 0 0 327.388 2.365 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)[C@H](C)n3cccn3)C2)c1 ZINC000096409274 463242482 /nfs/dbraw/zinc/24/24/82/463242482.db2.gz MMEHHIHHZSIXCK-GJZGRUSLSA-N 0 0 328.416 2.238 40 0 EEABRN CCc1ccc([C@H]2COCCN2C(=O)CCCNC(=O)C2CC2)o1 ZINC000096412799 463244732 /nfs/dbraw/zinc/24/47/32/463244732.db2.gz SSSSAMFKFKRFPK-OAHLLOKOSA-N 0 0 334.416 2.048 40 0 EEABRN O=C(CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414965 463247157 /nfs/dbraw/zinc/24/71/57/463247157.db2.gz SNSOFCJJPLSTPM-LBPRGKRZSA-N 0 0 346.324 2.399 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1c(F)cccc1Cl ZINC000096414067 463247350 /nfs/dbraw/zinc/24/73/50/463247350.db2.gz XRJJIKBWMCLEFO-SSDOTTSWSA-N 0 0 338.688 2.372 40 0 EEABRN Cc1ccc(C2(CNC(=O)NCC3(O)CCC3)CCOCC2)cc1 ZINC000096416077 463248376 /nfs/dbraw/zinc/24/83/76/463248376.db2.gz KPXBIFYQMURASM-UHFFFAOYSA-N 0 0 332.444 2.257 40 0 EEABRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cccc(F)c1 ZINC000096417185 463249223 /nfs/dbraw/zinc/24/92/23/463249223.db2.gz FPNVXLDZTCCTDP-CYBMUJFWSA-N 0 0 326.327 2.283 40 0 EEABRN COC(=O)c1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1 ZINC000054664052 463252148 /nfs/dbraw/zinc/25/21/48/463252148.db2.gz FSLCVQQAURBVPZ-UHFFFAOYSA-N 0 0 329.356 2.184 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000096423399 463253534 /nfs/dbraw/zinc/25/35/34/463253534.db2.gz PXIUAAMFFHFQSJ-JKSUJKDBSA-N 0 0 344.459 2.157 40 0 EEABRN Cc1cnn(CCC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c1 ZINC000096425899 463254495 /nfs/dbraw/zinc/25/44/95/463254495.db2.gz SCUAIYQJOARNSH-QGZVFWFLSA-N 0 0 340.427 2.202 40 0 EEABRN CCc1cnc(CCNS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)s1 ZINC000096428659 463258134 /nfs/dbraw/zinc/25/81/34/463258134.db2.gz FVHXWHOUVJNNLK-TXEJJXNPSA-N 0 0 331.507 2.060 40 0 EEABRN O=C(Nc1cccnc1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000096434100 463261986 /nfs/dbraw/zinc/26/19/86/463261986.db2.gz QOIXDELXQSTBLO-IKGGRYGDSA-N 0 0 336.395 2.360 40 0 EEABRN Cc1ccc(NC(=O)NCC[S@@](C)=O)c(OCC(F)(F)F)c1 ZINC000096434303 463262099 /nfs/dbraw/zinc/26/20/99/463262099.db2.gz VOXGGXLCPQWQHR-QFIPXVFZSA-N 0 0 338.351 2.436 40 0 EEABRN CCc1nc(C)ncc1C(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000096436426 463264647 /nfs/dbraw/zinc/26/46/47/463264647.db2.gz REBSVRDHBYFVRV-IBGZPJMESA-N 0 0 325.412 2.301 40 0 EEABRN C[C@@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000096440435 463267544 /nfs/dbraw/zinc/26/75/44/463267544.db2.gz VPOQBFHJKOFHRC-YMTOWFKASA-N 0 0 340.786 2.306 40 0 EEABRN Cc1ccc(NC(=O)CN2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000096443529 463268575 /nfs/dbraw/zinc/26/85/75/463268575.db2.gz XYQUNJPUVSTFOP-MRXNPFEDSA-N 0 0 329.425 2.168 40 0 EEABRN CN(Cc1nccs1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000096446006 463270994 /nfs/dbraw/zinc/27/09/94/463270994.db2.gz DNDFTKUWCYFGHX-UHFFFAOYSA-N 0 0 328.401 2.447 40 0 EEABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2nccn2C)CC1 ZINC000096449573 463272065 /nfs/dbraw/zinc/27/20/65/463272065.db2.gz SGHJWSKNGRVODL-OAHLLOKOSA-N 0 0 346.406 2.065 40 0 EEABRN O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCSCC1 ZINC000096452407 463273221 /nfs/dbraw/zinc/27/32/21/463273221.db2.gz HWNCSVLXXSTCTI-UHFFFAOYSA-N 0 0 339.427 2.409 40 0 EEABRN C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)C(=O)N1CCSCC1 ZINC000096454314 463274417 /nfs/dbraw/zinc/27/44/17/463274417.db2.gz CYBUTCQCNLMSMX-XZHRJIJLSA-N 0 0 336.432 2.309 40 0 EEABRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000096469133 463277911 /nfs/dbraw/zinc/27/79/11/463277911.db2.gz PYISGPUBEVFPRA-NSHDSACASA-N 0 0 328.368 2.238 40 0 EEABRN Cc1cnn(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2F)c1 ZINC000096466241 463278195 /nfs/dbraw/zinc/27/81/95/463278195.db2.gz VUALWPRKCKFJLI-UHFFFAOYSA-N 0 0 346.387 2.193 40 0 EEABRN Cc1noc(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470295 463278770 /nfs/dbraw/zinc/27/87/70/463278770.db2.gz FCGBWQMUASRUEM-RBUKOAKNSA-N 0 0 327.428 2.377 40 0 EEABRN Cn1ncc2c1CCC[C@H]2NC(=O)NCCOc1ncccc1Cl ZINC000096473403 463279233 /nfs/dbraw/zinc/27/92/33/463279233.db2.gz HGCSCKYEZGDXMK-CYBMUJFWSA-N 0 0 349.822 2.224 40 0 EEABRN CCNS(=O)(=O)c1ccc(CNc2nc(C3CC3)ns2)cc1 ZINC000096476106 463280595 /nfs/dbraw/zinc/28/05/95/463280595.db2.gz LMDDYVNXNADPFP-UHFFFAOYSA-N 0 0 338.458 2.326 40 0 EEABRN Cc1cc(C(=O)NCCC[S@@](C)=O)nn1-c1cccc(Cl)c1 ZINC000096495045 463289509 /nfs/dbraw/zinc/28/95/09/463289509.db2.gz GKZNSQHSORVCIT-QFIPXVFZSA-N 0 0 339.848 2.333 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)c2ccc(O)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000097100819 463324020 /nfs/dbraw/zinc/32/40/20/463324020.db2.gz MVVYLQDWPIJVOE-RDJZCZTQSA-N 0 0 346.333 2.372 40 0 EEABRN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000097104482 463325204 /nfs/dbraw/zinc/32/52/04/463325204.db2.gz LMHWEISDEBSTLW-FZMZJTMJSA-N 0 0 338.454 2.407 40 0 EEABRN COc1cccc([C@H](C)N2CCN(C[C@H](O)C(F)(F)F)CC2)c1 ZINC000097378017 463356695 /nfs/dbraw/zinc/35/66/95/463356695.db2.gz AJWHNYKWXSICFR-WFASDCNBSA-N 0 0 332.366 2.297 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)nc12 ZINC000097378436 463358463 /nfs/dbraw/zinc/35/84/63/463358463.db2.gz SGTJVLHQNQQVNM-DOTOQJQBSA-N 0 0 342.443 2.442 40 0 EEABRN CCOC(=O)/C=C\c1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1 ZINC000098001793 463367660 /nfs/dbraw/zinc/36/76/60/463367660.db2.gz YMYNDFWLMLDYJU-XMELGKRDSA-N 0 0 347.415 2.284 40 0 EEABRN COc1ccc(C[N@@H+]2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)cc1 ZINC000100775083 463375233 /nfs/dbraw/zinc/37/52/33/463375233.db2.gz DSQWDZSYLVUUPX-UHFFFAOYSA-N 0 0 338.411 2.353 40 0 EEABRN Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(C(N)=O)o2)c1 ZINC000081012454 463381234 /nfs/dbraw/zinc/38/12/34/463381234.db2.gz YLUNWFGEGOAEEM-UHFFFAOYSA-N 0 0 327.384 2.217 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000033876314 463425668 /nfs/dbraw/zinc/42/56/68/463425668.db2.gz RHVVAGQFURHGIS-CQSZACIVSA-N 0 0 326.462 2.326 40 0 EEABRN CC(C)n1ncc2cc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)cnc21 ZINC000040479879 463456856 /nfs/dbraw/zinc/45/68/56/463456856.db2.gz HUXUFKKAEPWTOJ-UHFFFAOYSA-N 0 0 348.370 2.445 40 0 EEABRN CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237888 463485240 /nfs/dbraw/zinc/48/52/40/463485240.db2.gz XLIXCEKFXAHPQD-DLBZAZTESA-N 0 0 344.436 2.305 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(OC(F)F)c1 ZINC000058407248 463594323 /nfs/dbraw/zinc/59/43/23/463594323.db2.gz BJDXHENUGXCODF-LLVKDONJSA-N 0 0 328.340 2.254 40 0 EEABRN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc2ccccc2o1 ZINC000084935882 463638101 /nfs/dbraw/zinc/63/81/01/463638101.db2.gz TZCLGKIRNCTRMS-UHFFFAOYSA-N 0 0 338.429 2.358 40 0 EEABRN O=C1CSC(=O)N1CNc1ccc(I)cc1 ZINC000059457299 463642709 /nfs/dbraw/zinc/64/27/09/463642709.db2.gz JGKNETDMWFOGSS-UHFFFAOYSA-N 0 0 348.165 2.356 40 0 EEABRN COc1cccc2c1CC[C@@H]2NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000152507878 463698983 /nfs/dbraw/zinc/69/89/83/463698983.db2.gz JBKRWUAEDYNVLW-WFASDCNBSA-N 0 0 345.443 2.381 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000044895934 463699690 /nfs/dbraw/zinc/69/96/90/463699690.db2.gz HLRFYCYJLUDMSI-TXEJJXNPSA-N 0 0 335.448 2.063 40 0 EEABRN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCN1CCOCC1 ZINC000257173353 463756241 /nfs/dbraw/zinc/75/62/41/463756241.db2.gz KZHAAWSSOOYFRI-UHFFFAOYSA-N 0 0 343.402 2.258 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)CC[C@]12CCCO2 ZINC000257285652 463761641 /nfs/dbraw/zinc/76/16/41/463761641.db2.gz PIDKOSHNWBHTJC-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cscn2)nc1 ZINC000257284699 463762104 /nfs/dbraw/zinc/76/21/04/463762104.db2.gz PDWANYFKRRDTLS-OAHLLOKOSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@H](c3ccnc(C)n3)C2)s1 ZINC000257293870 463765743 /nfs/dbraw/zinc/76/57/43/463765743.db2.gz QRNZLYOGLICGQQ-AWEZNQCLSA-N 0 0 332.429 2.001 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257298454 463766611 /nfs/dbraw/zinc/76/66/11/463766611.db2.gz RLQZEZYOZUZXGU-HNNXBMFYSA-N 0 0 337.427 2.390 40 0 EEABRN Cc1cnc([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)s1 ZINC000257295669 463767635 /nfs/dbraw/zinc/76/76/35/463767635.db2.gz QZJGADWYCIRPFI-LBPRGKRZSA-N 0 0 340.474 2.062 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)n(C)n1 ZINC000257306258 463770436 /nfs/dbraw/zinc/77/04/36/463770436.db2.gz STMFACFPVFSPLW-GOEBONIOSA-N 0 0 346.475 2.092 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 ZINC000257314391 463773055 /nfs/dbraw/zinc/77/30/55/463773055.db2.gz UWTBYNLAMJYLMC-ZDUSSCGKSA-N 0 0 331.420 2.184 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc3c(N)n[nH]c3n2)C1 ZINC000257319578 463776882 /nfs/dbraw/zinc/77/68/82/463776882.db2.gz VTCDDUWTGRFTQJ-LLVKDONJSA-N 0 0 340.387 2.165 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257322221 463778448 /nfs/dbraw/zinc/77/84/48/463778448.db2.gz WFBSDVFGSKBXSC-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1csc(-c2ncccc2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257334160 463782052 /nfs/dbraw/zinc/78/20/52/463782052.db2.gz YEUGZZJOWOZZGQ-LBPRGKRZSA-N 0 0 337.470 2.338 40 0 EEABRN CCn1cc(C(=O)N2CCC3(CC(Nc4cc(C)ncn4)C3)C2)cn1 ZINC000257340129 463785525 /nfs/dbraw/zinc/78/55/25/463785525.db2.gz ZERGPSQMVIZRQS-UHFFFAOYSA-N 0 0 340.431 2.108 40 0 EEABRN COc1ccc([C@H]2Cn3ccnc3CN2C(=O)c2cnc(C)cn2)cc1 ZINC000257343301 463788178 /nfs/dbraw/zinc/78/81/78/463788178.db2.gz ZSIGMTSRMIZTFD-QGZVFWFLSA-N 0 0 349.394 2.387 40 0 EEABRN Cc1cccnc1C(F)(F)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000195361282 464046133 /nfs/dbraw/zinc/04/61/33/464046133.db2.gz NWCJPTGHIRRXLX-ZDUSSCGKSA-N 0 0 347.369 2.057 40 0 EEABRN Cc1ccnc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)c1 ZINC000195539183 464072958 /nfs/dbraw/zinc/07/29/58/464072958.db2.gz NFDOXYIVXRHSIF-OAHLLOKOSA-N 0 0 331.441 2.337 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000223290014 464140639 /nfs/dbraw/zinc/14/06/39/464140639.db2.gz IIVPKXFKNYVAQC-DHZHZOJOSA-N 0 0 346.408 2.255 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223638252 464145501 /nfs/dbraw/zinc/14/55/01/464145501.db2.gz VDHQCURANOYBJM-CABCVRRESA-N 0 0 331.397 2.210 40 0 EEABRN C[C@@H](CCc1ccccc1)NC(=O)c1cc(N2CCOCC2)on1 ZINC000224081433 464147828 /nfs/dbraw/zinc/14/78/28/464147828.db2.gz RXVDLJAHRLLEPC-AWEZNQCLSA-N 0 0 329.400 2.262 40 0 EEABRN CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000225415830 464158496 /nfs/dbraw/zinc/15/84/96/464158496.db2.gz RYRYHWZBADRMQH-UHFFFAOYSA-N 0 0 332.425 2.257 40 0 EEABRN COCCNC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1 ZINC000225433735 464159372 /nfs/dbraw/zinc/15/93/72/464159372.db2.gz AIOFOXLPQAFILJ-UHFFFAOYSA-N 0 0 345.399 2.406 40 0 EEABRN Cc1nc2c([nH]1)C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000225516428 464167672 /nfs/dbraw/zinc/16/76/72/464167672.db2.gz KSSGBUTVRLINGF-CQSZACIVSA-N 0 0 342.418 2.311 40 0 EEABRN Cn1ncnc1S[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189134181 464442185 /nfs/dbraw/zinc/44/21/85/464442185.db2.gz VBPHYKXLWGPIJW-CYBMUJFWSA-N 0 0 338.383 2.377 40 0 EEABRN C[C@]12CCCN1C(=O)N([C@H]1CCN(c3ncccc3Cl)C1)C2=O ZINC000239882040 464445558 /nfs/dbraw/zinc/44/55/58/464445558.db2.gz CZYYKKOPZZWHSM-MEDUHNTESA-N 0 0 334.807 2.130 40 0 EEABRN CN1C(=O)C[C@H](Nc2nccn3cnnc23)[C@H]1c1ccc(Cl)cc1 ZINC000241644445 464454741 /nfs/dbraw/zinc/45/47/41/464454741.db2.gz PQUVLWVLDUIJRU-GXTWGEPZSA-N 0 0 342.790 2.162 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000242390287 464457333 /nfs/dbraw/zinc/45/73/33/464457333.db2.gz AISZBNKRPXIXAP-BZPMIXESSA-N 0 0 347.889 2.159 40 0 EEABRN CNS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000189605569 464532196 /nfs/dbraw/zinc/53/21/96/464532196.db2.gz BGQHCDTUUMVXOZ-UHFFFAOYSA-N 0 0 338.816 2.495 40 0 EEABRN Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1ccccn1)C2 ZINC000247546634 464693746 /nfs/dbraw/zinc/69/37/46/464693746.db2.gz USFFYWFBFFOXCU-AWEZNQCLSA-N 0 0 329.375 2.286 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247856306 464711246 /nfs/dbraw/zinc/71/12/46/464711246.db2.gz KRJVZTABJGEARO-HNNXBMFYSA-N 0 0 342.399 2.200 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000248018517 464724514 /nfs/dbraw/zinc/72/45/14/464724514.db2.gz LEFZAQQCHLGNBP-CQSZACIVSA-N 0 0 345.424 2.466 40 0 EEABRN O=C(NCCCc1cccc(F)c1)c1cncc(-n2ccnn2)c1 ZINC000252482251 464960563 /nfs/dbraw/zinc/96/05/63/464960563.db2.gz DBOYJQHNUJLIGV-UHFFFAOYSA-N 0 0 325.347 2.164 40 0 EEABRN C[C@@H](NC(=O)N[C@@H](C)C(=O)NCCF)c1nc(C(C)(C)C)cs1 ZINC000252496425 464969724 /nfs/dbraw/zinc/96/97/24/464969724.db2.gz PHVMEHIRUNHFAT-VHSXEESVSA-N 0 0 344.456 2.275 40 0 EEABRN CC[C@H](C(=O)NCc1ccc(C(C)=O)c(C)n1)N1CCO[C@@H](CC)C1 ZINC000252509336 464975754 /nfs/dbraw/zinc/97/57/54/464975754.db2.gz YLMHAPCOWZWDSA-FUHWJXTLSA-N 0 0 347.459 2.098 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)C[C@@H](C)O1 ZINC000253389182 464997722 /nfs/dbraw/zinc/99/77/22/464997722.db2.gz KHWZGWGBCAXIOS-GGKPKWOWSA-N 0 0 348.418 2.371 40 0 EEABRN CCc1nc2sccc2c(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000253415540 465004539 /nfs/dbraw/zinc/00/45/39/465004539.db2.gz CZSKZDXKSMFIOP-JDNHERCYSA-N 0 0 345.428 2.044 40 0 EEABRN CC[C@@H](SC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000253418339 465005850 /nfs/dbraw/zinc/00/58/50/465005850.db2.gz OJBDYMORFSFJTO-LLVKDONJSA-N 0 0 345.490 2.239 40 0 EEABRN CCC[C@@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1)C2=O ZINC000253431815 465014399 /nfs/dbraw/zinc/01/43/99/465014399.db2.gz UDRSERVUKAJBAV-RISCZKNCSA-N 0 0 333.354 2.220 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000253477882 465015945 /nfs/dbraw/zinc/01/59/45/465015945.db2.gz HZXPRNMNOQXRRG-MRXNPFEDSA-N 0 0 349.427 2.405 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000331738470 466225437 /nfs/dbraw/zinc/22/54/37/466225437.db2.gz UXDDDZIAPFXGBD-XJKCOSOUSA-N 0 0 336.457 2.343 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000306130106 466489747 /nfs/dbraw/zinc/48/97/47/466489747.db2.gz IWINDTRVBUMBDN-HLLBOEOZSA-N 0 0 330.428 2.262 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000408548321 466681047 /nfs/dbraw/zinc/68/10/47/466681047.db2.gz GHJZQEQZVCLBAR-MDWZMJQESA-N 0 0 344.298 2.151 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)CSc3ccncc3)C2)n1 ZINC000575413906 468142909 /nfs/dbraw/zinc/14/29/09/468142909.db2.gz PHDRTUAVNGQLLF-CQSZACIVSA-N 0 0 344.440 2.260 40 0 EEABRN CC(C)[C@@H](Cn1cncn1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000575609360 468147924 /nfs/dbraw/zinc/14/79/24/468147924.db2.gz WSLQZLDXIUTCRU-LLVKDONJSA-N 0 0 327.310 2.147 40 0 EEABRN Cc1cnc(OC[C@@H]2Cc3c(ncn3C)CN2Cc2ccco2)nc1 ZINC000585094589 468963251 /nfs/dbraw/zinc/96/32/51/468963251.db2.gz CWMRJKGDXIMTQQ-AWEZNQCLSA-N 0 0 339.399 2.117 40 0 EEABRN O=C(C[C@H]1Cn2cccc2CN(Cc2nccs2)C1)N1CCCO1 ZINC000585099188 468967253 /nfs/dbraw/zinc/96/72/53/468967253.db2.gz SDQGFOFYTBQYQI-CQSZACIVSA-N 0 0 346.456 2.131 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)o1 ZINC000585110882 468973735 /nfs/dbraw/zinc/97/37/35/468973735.db2.gz SPHKFDNKBFMDNH-INIZCTEOSA-N 0 0 342.443 2.337 40 0 EEABRN CCCc1cc(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)n(C)n1 ZINC000585141298 468990107 /nfs/dbraw/zinc/99/01/07/468990107.db2.gz SCSVBYCRLMGOLA-UHFFFAOYSA-N 0 0 325.376 2.802 40 0 EEABRN Cc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)ncn1 ZINC000585149524 468994716 /nfs/dbraw/zinc/99/47/16/468994716.db2.gz YXXQWGBVEBILMP-UHFFFAOYSA-N 0 0 338.337 2.229 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)n1 ZINC000585271579 468996888 /nfs/dbraw/zinc/99/68/88/468996888.db2.gz HQKGYIKHUGSFQO-ROUUACIJSA-N 0 0 327.428 2.176 40 0 EEABRN COc1cccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)c1 ZINC000585272633 468998838 /nfs/dbraw/zinc/99/88/38/468998838.db2.gz OMZKFWIANXBBPM-HXUWFJFHSA-N 0 0 341.407 2.141 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1Cc1ccccc1 ZINC000585276487 469000299 /nfs/dbraw/zinc/00/02/99/469000299.db2.gz KGXPJNQGURCOAH-HKUYNNGSSA-N 0 0 339.439 2.377 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585277181 469002456 /nfs/dbraw/zinc/00/24/56/469002456.db2.gz MWJWQOYGAQCBCL-SFHVURJKSA-N 0 0 347.390 2.259 40 0 EEABRN Cc1ccccc1OCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000223928273 485533499 /nfs/dbraw/zinc/53/34/99/485533499.db2.gz BLSFMICEPDWUGL-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccccc1 ZINC000408653587 534603380 /nfs/dbraw/zinc/60/33/80/534603380.db2.gz IPNHNZXQPCQVMP-CQSZACIVSA-N 0 0 344.411 2.350 40 0 EEABRN CN(C)c1cccc(CNC(=O)NCCc2ccc(F)cc2F)n1 ZINC000095437561 522271107 /nfs/dbraw/zinc/27/11/07/522271107.db2.gz QUYLKNFXFZEEPD-UHFFFAOYSA-N 0 0 334.370 2.468 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@H](Cc3cnc(NC)cn3)CC2)cn1 ZINC000257227322 536025981 /nfs/dbraw/zinc/02/59/81/536025981.db2.gz FOTAFUBDKGHOSS-AWEZNQCLSA-N 0 0 342.447 2.220 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)cn1 ZINC000249685262 536051086 /nfs/dbraw/zinc/05/10/86/536051086.db2.gz FRRCUPGNYLZVCI-GOSISDBHSA-N 0 0 349.475 2.080 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)no1 ZINC000257216284 536109415 /nfs/dbraw/zinc/10/94/15/536109415.db2.gz CTWDKEMTDIVXQM-QGZVFWFLSA-N 0 0 327.384 2.283 40 0 EEABRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(COC)C(N)=S)cc1 ZINC000218542108 536194943 /nfs/dbraw/zinc/19/49/43/536194943.db2.gz WNTVJHOZEWWMCW-LZWOXQAQSA-N 0 0 341.498 2.068 40 0 EEABRN CCc1cc(N2CCN(c3cncc(OC)c3)CC2)nc(CC)n1 ZINC000894746033 683062714 /nfs/dbraw/zinc/06/27/14/683062714.db2.gz TWSVFDJCEHDCCP-UHFFFAOYSA-N 0 0 327.432 2.332 40 0 EEABRN Cc1cc2n(n1)C1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N2C ZINC001772596205 1178875120 /nfs/dbraw/zinc/87/51/20/1178875120.db2.gz UVCQFTZKRUSHHE-UHFFFAOYSA-N 0 0 338.411 2.190 40 0 EEABRN CCN([C@H]1CCCOC1)S(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000907265717 784507325 /nfs/dbraw/zinc/50/73/25/784507325.db2.gz KJHUTINQNAJSFN-AWEZNQCLSA-N 0 0 341.477 2.267 40 0 EEABRN COc1ccc(CC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C)c1 ZINC000820746750 786460955 /nfs/dbraw/zinc/46/09/55/786460955.db2.gz IOUSNNBJKZGWLW-SFHVURJKSA-N 0 0 344.455 2.309 40 0 EEABRN CCN1OC2(CC1=O)CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC001549166270 1121134937 /nfs/dbraw/zinc/13/49/37/1121134937.db2.gz CEFFPPMAIBHSBS-UHFFFAOYSA-N 0 0 333.388 2.246 40 0 EEABRN COC(=O)c1cc(NCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000057634951 214438281 /nfs/dbraw/zinc/43/82/81/214438281.db2.gz YPSAZYWXRLAZLN-QWRGUYRKSA-N 0 0 340.807 2.174 40 0 EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000225503670 282328784 /nfs/dbraw/zinc/32/87/84/282328784.db2.gz NSXJVHUQXRTERX-GFCCVEGCSA-N 0 0 332.429 2.288 40 0 EEABRN Cc1ccc(Cl)cc1N(CCCC(=O)NC1CC1)S(C)(=O)=O ZINC000010369930 201798270 /nfs/dbraw/zinc/79/82/70/201798270.db2.gz BNJZHXSOOSQJAE-UHFFFAOYSA-N 0 0 344.864 2.473 40 0 EEABRN CC(C)C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012220003 201833227 /nfs/dbraw/zinc/83/32/27/201833227.db2.gz IJWHMBKZWCXNSH-UHFFFAOYSA-N 0 0 327.388 2.001 40 0 EEABRN O=C(c1cscn1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000012253835 201835069 /nfs/dbraw/zinc/83/50/69/201835069.db2.gz VJVSVJNMEIECHN-UHFFFAOYSA-N 0 0 342.424 2.160 40 0 EEABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2OC)cn1 ZINC000066915259 215093724 /nfs/dbraw/zinc/09/37/24/215093724.db2.gz YDXDAYJBWCXJDK-OAHLLOKOSA-N 0 0 349.456 2.307 40 0 EEABRN O=C(NCCO)C1(Cc2ccccc2-c2ccncc2)CCOCC1 ZINC000019348525 202005321 /nfs/dbraw/zinc/00/53/21/202005321.db2.gz IEVXRNQJINUYPE-UHFFFAOYSA-N 0 0 340.423 2.196 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000019400029 202006792 /nfs/dbraw/zinc/00/67/92/202006792.db2.gz WTMFUFSJBXIJGO-MRXNPFEDSA-N 0 0 347.378 2.204 40 0 EEABRN CCN1C[C@H](C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)CC1=O ZINC000019526890 202009992 /nfs/dbraw/zinc/00/99/92/202009992.db2.gz XIMURUVDZOAWGN-LSDHHAIUSA-N 0 0 348.418 2.312 40 0 EEABRN Cc1ccccc1OC1CCN(CC(=O)Nc2cnn(C)c2)CC1 ZINC000019658860 202014986 /nfs/dbraw/zinc/01/49/86/202014986.db2.gz GEHRZKQWUGFQJL-UHFFFAOYSA-N 0 0 328.416 2.210 40 0 EEABRN Cn1cc(-c2ccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2)cn1 ZINC000019688577 202016289 /nfs/dbraw/zinc/01/62/89/202016289.db2.gz NKLPMLRJKCIUIT-OAHLLOKOSA-N 0 0 348.410 2.292 40 0 EEABRN O=C(Cn1cc(NC(=O)c2ccccn2)cn1)NCCC1CCCC1 ZINC000019749441 202019149 /nfs/dbraw/zinc/01/91/49/202019149.db2.gz CQROUMYXCWMHTR-UHFFFAOYSA-N 0 0 341.415 2.227 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1Cl ZINC000020041198 202030654 /nfs/dbraw/zinc/03/06/54/202030654.db2.gz RSMKRAKUZKGHKF-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN C[C@H]1Cc2cc(C(N)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449294 202042605 /nfs/dbraw/zinc/04/26/05/202042605.db2.gz ZBPJVSHKCDGNEY-JTQLQIEISA-N 0 0 334.372 2.065 40 0 EEABRN CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508575 202226562 /nfs/dbraw/zinc/22/65/62/202226562.db2.gz CPCVNKIDSGQCEI-VXGBXAGGSA-N 0 0 330.862 2.040 40 0 EEABRN Cc1ccn(C)c1C(=O)NCC(C)(C)CNC(=O)c1c(C)ccn1C ZINC000189778452 237240651 /nfs/dbraw/zinc/24/06/51/237240651.db2.gz OJUYLAYEEFZPIP-UHFFFAOYSA-N 0 0 344.459 2.166 40 0 EEABRN CC(C)c1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)on1 ZINC000071115756 202340098 /nfs/dbraw/zinc/34/00/98/202340098.db2.gz RIAHTOSWNYTGQT-UHFFFAOYSA-N 0 0 336.417 2.339 40 0 EEABRN CN(C)c1cccc([C@@H]2CCCN2CC(=O)Nc2nncs2)c1 ZINC000072665413 202364831 /nfs/dbraw/zinc/36/48/31/202364831.db2.gz LQZFEMYGPPRWGF-AWEZNQCLSA-N 0 0 331.445 2.380 40 0 EEABRN C[C@H](c1ccccc1)n1cc2[nH]c(N3CCC(O)CC3)ncc-2c1=O ZINC000072260028 202358889 /nfs/dbraw/zinc/35/88/89/202358889.db2.gz LRGHMVRUGHYQEB-CYBMUJFWSA-N 0 0 338.411 2.155 40 0 EEABRN CC(C)Cn1cc(NC(=O)C2CCN(c3cnccn3)CC2)cn1 ZINC000075198862 202372038 /nfs/dbraw/zinc/37/20/38/202372038.db2.gz TZAIOINYGIPCOV-UHFFFAOYSA-N 0 0 328.420 2.184 40 0 EEABRN O=S(=O)(N[C@@H]1CCC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075156909 202376367 /nfs/dbraw/zinc/37/63/67/202376367.db2.gz XAMVOCCBTLSBGK-ZJUUUORDSA-N 0 0 339.335 2.167 40 0 EEABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CSCCC(=O)N1 ZINC000075171273 202378268 /nfs/dbraw/zinc/37/82/68/202378268.db2.gz CXUKMHXBBPWNGK-JTQLQIEISA-N 0 0 336.310 2.405 40 0 EEABRN Cc1ncc(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)s1 ZINC000078663646 202398717 /nfs/dbraw/zinc/39/87/17/202398717.db2.gz FQWBMMJOBATKJJ-ZDUSSCGKSA-N 0 0 334.449 2.186 40 0 EEABRN O=C(C[C@@H]1CCS(=O)(=O)C1)NC1(c2cccc(Cl)c2)CC1 ZINC000076935127 202388799 /nfs/dbraw/zinc/38/87/99/202388799.db2.gz UCTFGTIBYNDEOW-NSHDSACASA-N 0 0 327.833 2.270 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000076958075 202389221 /nfs/dbraw/zinc/38/92/21/202389221.db2.gz JFCRZFPTHSFODI-DLBZAZTESA-N 0 0 344.455 2.312 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000076958073 202389335 /nfs/dbraw/zinc/38/93/35/202389335.db2.gz JFCRZFPTHSFODI-IRXDYDNUSA-N 0 0 344.455 2.312 40 0 EEABRN COc1ccc(CCCC(=O)N2CCCS2(=O)=O)c(Cl)c1 ZINC000078411018 202390750 /nfs/dbraw/zinc/39/07/50/202390750.db2.gz YVRPVAZBDZOHRA-UHFFFAOYSA-N 0 0 331.821 2.233 40 0 EEABRN Cc1ccccc1C1(CNC(=O)c2cnc3ccccn3c2=O)CC1 ZINC000078979354 202412815 /nfs/dbraw/zinc/41/28/15/202412815.db2.gz QIIMCPXRPMTWAW-UHFFFAOYSA-N 0 0 333.391 2.465 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2cccs2)n1 ZINC000078985992 202413649 /nfs/dbraw/zinc/41/36/49/202413649.db2.gz RIJVVGDEWIGBJS-GXSJLCMTSA-N 0 0 335.385 2.349 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(C)o1 ZINC000080900345 202471318 /nfs/dbraw/zinc/47/13/18/202471318.db2.gz UEANQSGDFLQWJT-AUUYWEPGSA-N 0 0 342.395 2.346 40 0 EEABRN COc1cc(=O)n2c(c1C(=O)NCc1c(F)cccc1F)CCC2 ZINC000240067949 201152712 /nfs/dbraw/zinc/15/27/12/201152712.db2.gz SEQPYHZAPXABBC-UHFFFAOYSA-N 0 0 334.322 2.011 40 0 EEABRN CCC1(CC)Oc2ccc(NC(=O)N[C@@]3(CO)CCOC3)cc2O1 ZINC000276381124 201294541 /nfs/dbraw/zinc/29/45/41/201294541.db2.gz SKPXGTINYWZNMP-MRXNPFEDSA-N 0 0 336.388 2.247 40 0 EEABRN CCc1ccc(C(C)(C)CNC(=O)c2cccnc2C(N)=O)cc1 ZINC000279259312 201316344 /nfs/dbraw/zinc/31/63/44/201316344.db2.gz VJTPYODWXAIJFZ-UHFFFAOYSA-N 0 0 325.412 2.451 40 0 EEABRN CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193803378 240315827 /nfs/dbraw/zinc/31/58/27/240315827.db2.gz JGESCGJDNDFLSB-SECBINFHSA-N 0 0 343.342 2.271 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C ZINC000226687480 283846112 /nfs/dbraw/zinc/84/61/12/283846112.db2.gz DQHABSYGKRBQEU-CYBMUJFWSA-N 0 0 341.429 2.110 40 0 EEABRN Cc1occc1-c1nnc(S(=O)(=O)Cc2ccn(C(C)C)n2)n1C ZINC000195108328 240832844 /nfs/dbraw/zinc/83/28/44/240832844.db2.gz RAEZTOCMGWVDAO-UHFFFAOYSA-N 0 0 349.416 2.135 40 0 EEABRN Cc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1F ZINC000211096775 241079960 /nfs/dbraw/zinc/07/99/60/241079960.db2.gz MWNUAIPESGWKPV-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)cc1C ZINC000225429466 241857598 /nfs/dbraw/zinc/85/75/98/241857598.db2.gz HDANEPAZHYJKJY-INIZCTEOSA-N 0 0 341.411 2.324 40 0 EEABRN CN(C(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000225975569 242082862 /nfs/dbraw/zinc/08/28/62/242082862.db2.gz ZZGJOROPDQXFQL-UHFFFAOYSA-N 0 0 332.425 2.288 40 0 EEABRN COc1cc(N2CCN(C(=O)NC[C@H](C)SC)CC2)ccc1F ZINC000225783853 242034678 /nfs/dbraw/zinc/03/46/78/242034678.db2.gz LINWMYKYPZFNMW-LBPRGKRZSA-N 0 0 341.452 2.417 40 0 EEABRN C[C@H]1CCCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)C1 ZINC000227160536 242125933 /nfs/dbraw/zinc/12/59/33/242125933.db2.gz QHCNAQOXHXIVKJ-ZDUSSCGKSA-N 0 0 332.379 2.255 40 0 EEABRN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000003844190 201581879 /nfs/dbraw/zinc/58/18/79/201581879.db2.gz GFTSSZIALWXMOL-CQSZACIVSA-N 0 0 332.356 2.385 40 0 EEABRN CCOc1cccc(S(=O)(=O)NC[C@@H]2CCCn3cc(C)nc32)c1 ZINC000241930308 243005341 /nfs/dbraw/zinc/00/53/41/243005341.db2.gz UHMXHZUPVZSCLX-AWEZNQCLSA-N 0 0 349.456 2.446 40 0 EEABRN CCSCc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)no1 ZINC000241961251 243007512 /nfs/dbraw/zinc/00/75/12/243007512.db2.gz UQPVNSJZLXNYFY-UHFFFAOYSA-N 0 0 345.380 2.406 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000243058016 243025510 /nfs/dbraw/zinc/02/55/10/243025510.db2.gz IISXBQGAAXCTKZ-UHFFFAOYSA-N 0 0 340.423 2.103 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000247849140 243464928 /nfs/dbraw/zinc/46/49/28/243464928.db2.gz HZVAQZYGBRZEOC-OAHLLOKOSA-N 0 0 348.468 2.221 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2ccoc2)C3)nc1 ZINC000253600250 244033059 /nfs/dbraw/zinc/03/30/59/244033059.db2.gz ILKPUWJVUQGCNP-MRXNPFEDSA-N 0 0 328.416 2.471 40 0 EEABRN CN(C)c1cccc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257206673 244135562 /nfs/dbraw/zinc/13/55/62/244135562.db2.gz BELYXXVVEQBFMB-KRWDZBQOSA-N 0 0 340.427 2.075 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 ZINC000257230876 244212406 /nfs/dbraw/zinc/21/24/06/244212406.db2.gz GEHUGJNDYYRKNO-MRXNPFEDSA-N 0 0 338.415 2.227 40 0 EEABRN CO[C@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)CC[C@@]12CCCO2 ZINC000257219420 244178512 /nfs/dbraw/zinc/17/85/12/244178512.db2.gz DGSNLUBDIKBOLO-WMZOPIPTSA-N 0 0 329.400 2.281 40 0 EEABRN Cc1cncc([C@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 ZINC000257243697 244249990 /nfs/dbraw/zinc/24/99/90/244249990.db2.gz IIEBDSPPJPGRRW-INIZCTEOSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1nccc(N2CC[C@@H](c3cc(Nc4cnccn4)nc(C)n3)C2)n1 ZINC000072382771 203210434 /nfs/dbraw/zinc/21/04/34/203210434.db2.gz CLZQDKDEPDRXGV-CQSZACIVSA-N 0 0 348.414 2.411 40 0 EEABRN CCS(=O)(=O)N1CC[C@H](c2cc(Nc3ccccn3)nc(C)n2)C1 ZINC000072383738 203210818 /nfs/dbraw/zinc/21/08/18/203210818.db2.gz DRIKNLOXYLRDBY-ZDUSSCGKSA-N 0 0 347.444 2.063 40 0 EEABRN Nc1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 ZINC000020158756 212107221 /nfs/dbraw/zinc/10/72/21/212107221.db2.gz CAZSLTAFMJOPSL-UHFFFAOYSA-N 0 0 327.384 2.123 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360329 203205459 /nfs/dbraw/zinc/20/54/59/203205459.db2.gz KUZNHXPJLQOYIX-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN CC(C)C(=O)N1CCC(c2nccnc2Nc2ncccn2)CC1 ZINC000072363535 203206799 /nfs/dbraw/zinc/20/67/99/203206799.db2.gz ZMFHODFXJAEOEJ-UHFFFAOYSA-N 0 0 326.404 2.372 40 0 EEABRN CN(C)C(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 ZINC000072366068 203207059 /nfs/dbraw/zinc/20/70/59/203207059.db2.gz VBSDDFAOKSXRNY-HNNXBMFYSA-N 0 0 333.432 2.270 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253722 244275525 /nfs/dbraw/zinc/27/55/25/244275525.db2.gz JZZVXJLYOWHYGU-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NCCc3ccccc3)cc2sc1=O ZINC000075433448 203315259 /nfs/dbraw/zinc/31/52/59/203315259.db2.gz KTBBHFKHTHKVEO-UHFFFAOYSA-N 0 0 348.449 2.121 40 0 EEABRN Cc1cc(C)n(CCNC(=O)[C@@]2(C)Sc3ccccc3NC2=O)n1 ZINC000040774305 203750552 /nfs/dbraw/zinc/75/05/52/203750552.db2.gz IMEXZZJNUGJQFU-QGZVFWFLSA-N 0 0 344.440 2.119 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)O2)CC1 ZINC000096061191 203817087 /nfs/dbraw/zinc/81/70/87/203817087.db2.gz SOKHODZZIIQPPM-INIZCTEOSA-N 0 0 346.427 2.268 40 0 EEABRN CC(=O)c1cc(Br)cc(F)c1OCC(=O)NC1CC1 ZINC000096501890 203893714 /nfs/dbraw/zinc/89/37/14/203893714.db2.gz PQQDCKLHYYMNCU-UHFFFAOYSA-N 0 0 330.153 2.448 40 0 EEABRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccccc1)CC2 ZINC000096197442 203860524 /nfs/dbraw/zinc/86/05/24/203860524.db2.gz SYLAEOYSPLEQGS-UHFFFAOYSA-N 0 0 349.438 2.167 40 0 EEABRN O=C(Cc1ccco1)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 ZINC000096217770 203870619 /nfs/dbraw/zinc/87/06/19/203870619.db2.gz QGZBRAUTMSAPKL-HNNXBMFYSA-N 0 0 342.399 2.034 40 0 EEABRN Cc1occc1C(=O)N1CCC2(C[C@@H](Nc3ncccn3)CO2)CC1 ZINC000096221584 203874397 /nfs/dbraw/zinc/87/43/97/203874397.db2.gz MVUJKZCWGMVPER-CQSZACIVSA-N 0 0 342.399 2.254 40 0 EEABRN Cc1nc(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)C1CC1)CC2 ZINC000096253965 203884697 /nfs/dbraw/zinc/88/46/97/203884697.db2.gz ICNJSPYWCZUWAT-UHFFFAOYSA-N 0 0 347.415 2.441 40 0 EEABRN Cc1nn(C)c2cn([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)nc12 ZINC000041123821 204007021 /nfs/dbraw/zinc/00/70/21/204007021.db2.gz QWCPFHJCIVQSOK-JTQLQIEISA-N 0 0 327.344 2.007 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc(CC(C)C)no3)C2)n1 ZINC000041123227 204008192 /nfs/dbraw/zinc/00/81/92/204008192.db2.gz DAADTFOPCSUFKJ-HNNXBMFYSA-N 0 0 345.447 2.488 40 0 EEABRN CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646445 204117983 /nfs/dbraw/zinc/11/79/83/204117983.db2.gz DMJHFDGYQQPYNZ-ZETCQYMHSA-N 0 0 338.713 2.184 40 0 EEABRN Cn1ccc(CN2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107787453 204246796 /nfs/dbraw/zinc/24/67/96/204246796.db2.gz KKDWMJHDLYQIHP-QZTJIDSGSA-N 0 0 328.416 2.018 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108531556 204265094 /nfs/dbraw/zinc/26/50/94/204265094.db2.gz IZQAOADKGMJATQ-DOTOQJQBSA-N 0 0 341.455 2.469 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108525547 204265293 /nfs/dbraw/zinc/26/52/93/204265293.db2.gz JWSMTZZVRQZMHW-WBVHZDCISA-N 0 0 348.487 2.300 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529710 204265355 /nfs/dbraw/zinc/26/53/55/204265355.db2.gz PKGBHSLMBYWVDS-VQIMIIECSA-N 0 0 334.460 2.054 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@@]2(CCN(CC3CC3)C2=O)CC1 ZINC000108535895 204267937 /nfs/dbraw/zinc/26/79/37/204267937.db2.gz PFGDHBZRFBXPMB-IBGZPJMESA-N 0 0 334.460 2.054 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)n1cccc/c1=N\C1CCCCC1 ZINC000120032277 204700149 /nfs/dbraw/zinc/70/01/49/204700149.db2.gz FCUHLSMWPIBDNU-FBMGVBCBSA-N 0 0 338.473 2.433 40 0 EEABRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccncc2F)C1 ZINC000132448951 205325767 /nfs/dbraw/zinc/32/57/67/205325767.db2.gz NDFIKKZFBKLKSK-CYBMUJFWSA-N 0 0 329.375 2.486 40 0 EEABRN CC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000001381508 205594055 /nfs/dbraw/zinc/59/40/55/205594055.db2.gz APOMVSXLNWIBTM-RKDXNWHRSA-N 0 0 328.463 2.378 40 0 EEABRN COc1cc2s/c(=N\C(=O)c3cc(C)nn3C)n(C)c2cc1OC ZINC000101025637 206269859 /nfs/dbraw/zinc/26/98/59/206269859.db2.gz CYDVFFKNPZQFHZ-MSUUIHNZSA-N 0 0 346.412 2.040 40 0 EEABRN CN(CCn1cnnc1)C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000095411302 218348003 /nfs/dbraw/zinc/34/80/03/218348003.db2.gz YFPIJYCVRBGDJC-SJORKVTESA-N 0 0 343.431 2.310 40 0 EEABRN C[C@H](Cn1cnnc1)NC(=O)NCc1ccccc1OC1CCCC1 ZINC000095416762 218355562 /nfs/dbraw/zinc/35/55/62/218355562.db2.gz PEECTCMOJHIVMJ-CQSZACIVSA-N 0 0 343.431 2.487 40 0 EEABRN C[C@@H]1CCO[C@@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000095426794 218369192 /nfs/dbraw/zinc/36/91/92/218369192.db2.gz RBBSSCQXSQUGAY-MFKMUULPSA-N 0 0 331.338 2.444 40 0 EEABRN Cc1ccccc1-n1nccc1NC(=O)C(=O)NCC1(C2CC2)CC1 ZINC000095445972 218390235 /nfs/dbraw/zinc/39/02/35/218390235.db2.gz KYPJGKPBTDTNBO-UHFFFAOYSA-N 0 0 338.411 2.426 40 0 EEABRN COc1cccc(NC(=O)Nc2c(C)n(C)nc2C(=O)N(C)C)c1 ZINC000096182609 218644700 /nfs/dbraw/zinc/64/47/00/218644700.db2.gz OMLMQQJVMBRUTM-UHFFFAOYSA-N 0 0 331.376 2.083 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000096409651 218762661 /nfs/dbraw/zinc/76/26/61/218762661.db2.gz FVQOEQXXCBCXEL-AWEZNQCLSA-N 0 0 340.489 2.330 40 0 EEABRN COC(=O)[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000096410393 218764407 /nfs/dbraw/zinc/76/44/07/218764407.db2.gz AKROCOWILQKSMK-OAHLLOKOSA-N 0 0 332.787 2.443 40 0 EEABRN CCCc1nc(C(=O)NCc2cnn(C)c2)nn1-c1ccccc1F ZINC000096426285 218796452 /nfs/dbraw/zinc/79/64/52/218796452.db2.gz KQYFVZOEAWMGRW-UHFFFAOYSA-N 0 0 342.378 2.022 40 0 EEABRN COc1ccccc1C1(CNS(=O)(=O)c2cnn(C(C)C)c2)CC1 ZINC000096427863 218799517 /nfs/dbraw/zinc/79/95/17/218799517.db2.gz XSGPBVVCKXDXMI-UHFFFAOYSA-N 0 0 349.456 2.483 40 0 EEABRN Cc1cc(C(=O)OCc2ncc(Cl)n2C)ccc1-n1cncn1 ZINC000096441860 218824114 /nfs/dbraw/zinc/82/41/14/218824114.db2.gz SHKADJJGWPOVQK-UHFFFAOYSA-N 0 0 331.763 2.320 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)NCc1c(C)noc1C ZINC000096446012 218829229 /nfs/dbraw/zinc/82/92/29/218829229.db2.gz UBBQMVPWHGTBIS-UHFFFAOYSA-N 0 0 341.375 2.151 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000096466549 218846862 /nfs/dbraw/zinc/84/68/62/218846862.db2.gz LVVTZNNHMXYUNP-UHFFFAOYSA-N 0 0 341.411 2.437 40 0 EEABRN COc1ccc([C@H](C)NC(=O)NCCc2cnn(C)c2C)cc1F ZINC000096476136 218853002 /nfs/dbraw/zinc/85/30/02/218853002.db2.gz BYMTZLAURYEXBD-NSHDSACASA-N 0 0 334.395 2.479 40 0 EEABRN CCc1cnc([C@@H](C)NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000096500351 218875593 /nfs/dbraw/zinc/87/55/93/218875593.db2.gz UFANMVIGPOKNJQ-MNOVXSKESA-N 0 0 336.461 2.077 40 0 EEABRN O=C(N[C@@H]1CCC[C@H]1Oc1ccccc1)c1ccnc(-n2cncn2)c1 ZINC000079033044 257835214 /nfs/dbraw/zinc/83/52/14/257835214.db2.gz XPJUTAWXCTXUAM-IAGOWNOFSA-N 0 0 349.394 2.392 40 0 EEABRN CO[C@@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC[C@H]1C ZINC000187541203 533458327 /nfs/dbraw/zinc/45/83/27/533458327.db2.gz PXAZKPXMDSDJDV-GTAYFMOCSA-N 0 0 338.473 2.002 40 0 EEABRN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cccc(F)c1 ZINC000057363961 132200194 /nfs/dbraw/zinc/20/01/94/132200194.db2.gz PCRCYFSZQFPMMR-UHFFFAOYSA-N 0 0 329.375 2.292 40 0 EEABRN O=C(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000036058318 132391065 /nfs/dbraw/zinc/39/10/65/132391065.db2.gz LKMYPUMTSNNLEV-UHFFFAOYSA-N 0 0 338.407 2.463 40 0 EEABRN C[C@@H]1CN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)C[C@H](C)O1 ZINC000226145096 135592539 /nfs/dbraw/zinc/59/25/39/135592539.db2.gz CRFWIFAULXOPPC-BWACUDIHSA-N 0 0 334.441 2.150 40 0 EEABRN CCOC[C@@H]1C[C@@]2(CO1)COCCN2C(=O)c1ccc(CC)cc1 ZINC000096078567 286153069 /nfs/dbraw/zinc/15/30/69/286153069.db2.gz ONTUHYJQAKRRHK-HKUYNNGSSA-N 0 0 333.428 2.286 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017684 286378826 /nfs/dbraw/zinc/37/88/26/286378826.db2.gz PIKCQFBQZSANSO-GUDVDZBRSA-N 0 0 342.439 2.411 40 0 EEABRN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@H]1c1cc[nH]n1 ZINC000279252623 274461934 /nfs/dbraw/zinc/46/19/34/274461934.db2.gz UAAWGSMVVBLJDL-DOMZBBRYSA-N 0 0 328.347 2.338 40 0 EEABRN CC(C)[C@@H]1C(=O)NCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000078453435 275676447 /nfs/dbraw/zinc/67/64/47/275676447.db2.gz XATZIVRIASLCKX-OAHLLOKOSA-N 0 0 334.803 2.099 40 0 EEABRN COCCn1ccc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)n1 ZINC000187851420 277243140 /nfs/dbraw/zinc/24/31/40/277243140.db2.gz BIEUGPQBRWURBN-AWEZNQCLSA-N 0 0 328.416 2.010 40 0 EEABRN C[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)nn2)c2cccnc2O1 ZINC000158160330 277859164 /nfs/dbraw/zinc/85/91/64/277859164.db2.gz DSYISVVNXCKTKA-LLVKDONJSA-N 0 0 339.330 2.229 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257259091 280158659 /nfs/dbraw/zinc/15/86/59/280158659.db2.gz KWUCSRIWKIQBLG-HNNXBMFYSA-N 0 0 336.395 2.289 40 0 EEABRN CC(C)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000096439913 280315497 /nfs/dbraw/zinc/31/54/97/280315497.db2.gz VJEZYVBASLBROR-GWCFXTLKSA-N 0 0 332.853 2.091 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1 ZINC000072241966 289791991 /nfs/dbraw/zinc/79/19/91/289791991.db2.gz UMDQKTWHGQJLLQ-GDBMZVCRSA-N 0 0 336.432 2.311 40 0 EEABRN Cc1nc2ccc(NC(=O)[C@@H]3COCCN3CC(F)(F)F)cc2o1 ZINC000252500922 293469290 /nfs/dbraw/zinc/46/92/90/293469290.db2.gz TZJGVOQSBJHKPE-LBPRGKRZSA-N 0 0 343.305 2.338 40 0 EEABRN CO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000239539173 293643572 /nfs/dbraw/zinc/64/35/72/293643572.db2.gz AVQKYTYUBCESAF-RRFJBIMHSA-N 0 0 337.441 2.021 40 0 EEABRN COc1cc([C@H]2c3c(C)n[nH]c3C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000101343470 295026524 /nfs/dbraw/zinc/02/65/24/295026524.db2.gz NJYBZOMUTUUJFM-RCCFBDPRSA-N 0 0 330.384 2.077 40 0 EEABRN c1cnn(-c2cncc(N3CCO[C@]4(CCc5ccccc54)C3)n2)c1 ZINC000328661152 311609665 /nfs/dbraw/zinc/60/96/65/311609665.db2.gz ABKQGVKBMPEHCB-LJQANCHMSA-N 0 0 333.395 2.341 40 0 EEABRN CCc1nnc(C)cc1C(=O)N1CCOc2cc(OC)ccc2C1 ZINC000328699832 311613519 /nfs/dbraw/zinc/61/35/19/311613519.db2.gz MLOUGZDEAWWQGO-UHFFFAOYSA-N 0 0 327.384 2.391 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000329312578 311665893 /nfs/dbraw/zinc/66/58/93/311665893.db2.gz PZDARNNMWBCSBR-GFCCVEGCSA-N 0 0 327.432 2.190 40 0 EEABRN CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000529123941 317542604 /nfs/dbraw/zinc/54/26/04/317542604.db2.gz ZXEDUQGHXHEHEA-KPZWWZAWSA-N 0 0 349.406 2.351 40 0 EEABRN C[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000547699143 318313441 /nfs/dbraw/zinc/31/34/41/318313441.db2.gz PODGFBUJJKNGLI-QGZVFWFLSA-N 0 0 330.428 2.114 40 0 EEABRN CCc1ccc([C@H]2CCCCCN2C(=O)CS(=O)(=O)N(C)C)o1 ZINC000097372351 323322586 /nfs/dbraw/zinc/32/25/86/323322586.db2.gz GCKIRYJIQAQMCJ-CQSZACIVSA-N 0 0 342.461 2.177 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000097379361 323323030 /nfs/dbraw/zinc/32/30/30/323323030.db2.gz HMQBWHYEEVBYOM-SFHVURJKSA-N 0 0 338.411 2.365 40 0 EEABRN C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000153896251 323331207 /nfs/dbraw/zinc/33/12/07/323331207.db2.gz OGXAPHTWWDLOTC-HFTRVMKXSA-N 0 0 340.423 2.454 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)CCc3ccccc3)C2=O)o1 ZINC000184712342 323426663 /nfs/dbraw/zinc/42/66/63/323426663.db2.gz WGDANFOUPUFZAB-KXBFYZLASA-N 0 0 342.395 2.349 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1F ZINC000086071766 462566017 /nfs/dbraw/zinc/56/60/17/462566017.db2.gz LSAILTLNWJEASK-UHFFFAOYSA-N 0 0 330.406 2.386 40 0 EEABRN CCc1ccc2c(c1)c1nnc(SCC(=O)NC3CC3)nc1n2C ZINC000001366174 462580150 /nfs/dbraw/zinc/58/01/50/462580150.db2.gz VYXYMHRVVPZLET-UHFFFAOYSA-N 0 0 341.440 2.450 40 0 EEABRN O=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1ccccc1 ZINC000003480657 462619663 /nfs/dbraw/zinc/61/96/63/462619663.db2.gz YDJLUVKKDIIQMZ-UHFFFAOYSA-N 0 0 336.391 2.422 40 0 EEABRN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000003844188 462625480 /nfs/dbraw/zinc/62/54/80/462625480.db2.gz QTDDCPADFFUZQB-HNNXBMFYSA-N 0 0 332.356 2.387 40 0 EEABRN COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Cl ZINC000004156413 462629221 /nfs/dbraw/zinc/62/92/21/462629221.db2.gz QRRACPRDHXOKQN-OGXIQJDLSA-N 0 0 331.755 2.438 40 0 EEABRN CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000004259951 462630069 /nfs/dbraw/zinc/63/00/69/462630069.db2.gz QRBNTHMOKYASFF-YKWLKKDSSA-N 0 0 339.432 2.242 40 0 biogenic,in-vitro EEABRN CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1 ZINC000004883375 462639245 /nfs/dbraw/zinc/63/92/45/462639245.db2.gz KUQIPIZJYIRFAT-UHFFFAOYSA-N 0 0 348.432 2.333 40 0 EEABRN C[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccncc1 ZINC000004929511 462641575 /nfs/dbraw/zinc/64/15/75/462641575.db2.gz DBTMYGOGNSEUBS-LLVKDONJSA-N 0 0 343.337 2.491 40 0 EEABRN COCCNC(=O)[C@@H](OC(=O)c1cc2oc(C)cc2n1C)C(C)C ZINC000004967214 462642090 /nfs/dbraw/zinc/64/20/90/462642090.db2.gz AHSZXWLPXVIOCB-HNNXBMFYSA-N 0 0 336.388 2.024 40 0 EEABRN O=C(CCCCCCCCC(=O)N1CCCC1=O)N1CCCC1=O ZINC000005002478 462643915 /nfs/dbraw/zinc/64/39/15/462643915.db2.gz RJHJMNPZUUHDGI-UHFFFAOYSA-N 0 0 336.432 2.405 40 0 EEABRN Cc1ccc(C(=O)NCc2ccco2)cc1N1CCCCS1(=O)=O ZINC000005439629 462659503 /nfs/dbraw/zinc/65/95/03/462659503.db2.gz MIQJWCUSDGJNQH-UHFFFAOYSA-N 0 0 348.424 2.448 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006024033 462674420 /nfs/dbraw/zinc/67/44/20/462674420.db2.gz DRCMPESGKRAWEQ-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000006504317 462687640 /nfs/dbraw/zinc/68/76/40/462687640.db2.gz TZEDHJKIVUREIP-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN COc1cccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000007212031 462726085 /nfs/dbraw/zinc/72/60/85/462726085.db2.gz UCVZWAMKKFVRPZ-UHFFFAOYSA-N 0 0 337.397 2.191 40 0 EEABRN O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1O)[NH2+]Cc1cccnc1 ZINC000065090364 462735757 /nfs/dbraw/zinc/73/57/57/462735757.db2.gz NKLWYPYSYGWWIS-ZDUSSCGKSA-N 0 0 349.774 2.012 40 0 EEABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CSc1nc(N)cc(=O)[nH]1)C2 ZINC000008584075 462789760 /nfs/dbraw/zinc/78/97/60/462789760.db2.gz IUIQTJUIJMODHN-LYGAQUJYSA-N 0 0 337.445 2.202 40 0 EEABRN CCN(CC)C(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010366129 462818455 /nfs/dbraw/zinc/81/84/55/462818455.db2.gz FJMLBKOLDDFEMJ-AWEZNQCLSA-N 0 0 326.462 2.326 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1 ZINC000010672923 462822028 /nfs/dbraw/zinc/82/20/28/462822028.db2.gz PUDBHUMRECSEAX-UHFFFAOYSA-N 0 0 342.395 2.389 40 0 EEABRN Cc1ccc(CCC(=O)NCCc2nnc(-c3cccnc3)[nH]2)o1 ZINC000012115821 462843073 /nfs/dbraw/zinc/84/30/73/462843073.db2.gz UOBZVWHZYNNEGM-UHFFFAOYSA-N 0 0 325.372 2.060 40 0 EEABRN CCc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3sc(C)cc3n21 ZINC000012115400 462843220 /nfs/dbraw/zinc/84/32/20/462843220.db2.gz PLQMMGMEYBAENU-UHFFFAOYSA-N 0 0 346.456 2.496 40 0 EEABRN COc1ccc(CC(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)cc1 ZINC000012114735 462844029 /nfs/dbraw/zinc/84/40/29/462844029.db2.gz BJSHSTWQCRAKMA-GFCCVEGCSA-N 0 0 337.383 2.295 40 0 EEABRN Cc1cc2cc3c(cc2n2c(=O)n(Cc4ccncc4)nc12)OCO3 ZINC000012117631 462844081 /nfs/dbraw/zinc/84/40/81/462844081.db2.gz DPHGPDFBNPOYQI-UHFFFAOYSA-N 0 0 334.335 2.130 40 0 EEABRN O=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)NC1CCCC1 ZINC000012154251 462846020 /nfs/dbraw/zinc/84/60/20/462846020.db2.gz ZQWSUNYCRQKMQF-UHFFFAOYSA-N 0 0 333.413 2.112 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@@H](C)C1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181280 462847250 /nfs/dbraw/zinc/84/72/50/462847250.db2.gz CUPNEKKWCLNRNI-NEPJUHHUSA-N 0 0 346.456 2.374 40 0 EEABRN O=C(NC[C@H]1CCCN(C(=O)c2cccnc2)C1)c1cccs1 ZINC000012184885 462847363 /nfs/dbraw/zinc/84/73/63/462847363.db2.gz UHGYJKOXXAINPQ-CYBMUJFWSA-N 0 0 329.425 2.425 40 0 EEABRN Cc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCCC3)c(=O)n12 ZINC000012181972 462847379 /nfs/dbraw/zinc/84/73/79/462847379.db2.gz PHQAPJXZDFPCJS-UHFFFAOYSA-N 0 0 338.411 2.279 40 0 EEABRN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2-c2ccoc2)on1 ZINC000012252299 462848617 /nfs/dbraw/zinc/84/86/17/462848617.db2.gz UNRYMHGUJKHARY-UHFFFAOYSA-N 0 0 325.372 2.452 40 0 EEABRN Cn1nc(C2CCN(C(=O)c3cccs3)CC2)c2nccnc21 ZINC000012228516 462848736 /nfs/dbraw/zinc/84/87/36/462848736.db2.gz COHSVAKKTATLDB-UHFFFAOYSA-N 0 0 327.413 2.445 40 0 EEABRN COc1ccc(OC)c2c1s/c(=N/C(=O)c1cc(C)n(C)n1)n2C ZINC000012226467 462848807 /nfs/dbraw/zinc/84/88/07/462848807.db2.gz YEBOZCBXRHHSEA-WUKNDPDISA-N 0 0 346.412 2.040 40 0 EEABRN C[C@@H](CC(F)(F)F)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000132528438 462863204 /nfs/dbraw/zinc/86/32/04/462863204.db2.gz NVAGKHQDGJOAEE-SDDRHHMPSA-N 0 0 348.369 2.272 40 0 EEABRN COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000013138808 462885531 /nfs/dbraw/zinc/88/55/31/462885531.db2.gz MIBSXHGMZNGFAX-IAUIDUKPSA-N 0 0 340.375 2.270 40 0 EEABRN CCOc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000013688714 462899692 /nfs/dbraw/zinc/89/96/92/462899692.db2.gz FUXCYOZBQDARDF-IYBDPMFKSA-N 0 0 342.395 2.365 40 0 EEABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)cc1 ZINC000015674811 462960038 /nfs/dbraw/zinc/96/00/38/462960038.db2.gz VTPCHLNJNZOGJK-CVEARBPZSA-N 0 0 342.399 2.213 40 0 biogenic,in-vitro EEABRN CCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000050122746 462989148 /nfs/dbraw/zinc/98/91/48/462989148.db2.gz QKVHYDRLJVXWQU-OAHLLOKOSA-N 0 0 345.487 2.267 40 0 EEABRN Cc1cc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)nc(C(C)C)n1 ZINC000019117545 463013699 /nfs/dbraw/zinc/01/36/99/463013699.db2.gz TZTCXEBMMOSKGA-SFHVURJKSA-N 0 0 332.448 2.126 40 0 EEABRN O=C1NC(=O)[C@H]2[C@H]1[C@@H](c1ccc(Cl)cc1)NN2Cc1ccccc1 ZINC000019171766 463015591 /nfs/dbraw/zinc/01/55/91/463015591.db2.gz WRLFSMGBFQIJLX-BZUAXINKSA-N 0 0 341.798 2.043 40 0 EEABRN O=C(CC1CCCC1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 ZINC000019404001 463017867 /nfs/dbraw/zinc/01/78/67/463017867.db2.gz JEZLABZDIKBYNS-CYBMUJFWSA-N 0 0 343.387 2.007 40 0 EEABRN CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnccn3)cc2)C1 ZINC000019711881 463020499 /nfs/dbraw/zinc/02/04/99/463020499.db2.gz PTRLGBBLPVKECV-WBVHZDCISA-N 0 0 340.383 2.085 40 0 EEABRN COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712858 463021056 /nfs/dbraw/zinc/02/10/56/463021056.db2.gz KBZYGIPELLUYMT-SCTDSRPQSA-N 0 0 342.439 2.458 40 0 EEABRN CCOc1cc([C@H](N)c2nc(-c3cccnc3)n[nH]2)ccc1OC ZINC000095534388 463107849 /nfs/dbraw/zinc/10/78/49/463107849.db2.gz JLZKXLXPGIQFCX-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN COC(=O)[C@@H](C)N(C(=O)c1cncc(Br)c1)C1CC1 ZINC000078710191 463142794 /nfs/dbraw/zinc/14/27/94/463142794.db2.gz BHUVAZLLZJHZMN-MRVPVSSYSA-N 0 0 327.178 2.010 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040333 463145148 /nfs/dbraw/zinc/14/51/48/463145148.db2.gz OEQNHKAZYBVJAN-IAGOWNOFSA-N 0 0 343.489 2.166 40 0 EEABRN Cc1nn(C)c(C)c1Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000078774917 463149111 /nfs/dbraw/zinc/14/91/11/463149111.db2.gz UULOIYKJMJXEPD-UHFFFAOYSA-N 0 0 346.412 2.081 40 0 EEABRN O=C(c1ccncc1F)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 ZINC000096064621 463163392 /nfs/dbraw/zinc/16/33/92/463163392.db2.gz FYNKCRUCRPBMMQ-COXVUDFISA-N 0 0 334.391 2.409 40 0 EEABRN O=C(c1ccno1)N1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 ZINC000096064639 463163791 /nfs/dbraw/zinc/16/37/91/463163791.db2.gz PVISQDOQYCCQEF-JYJNAYRXSA-N 0 0 343.383 2.049 40 0 EEABRN Cn1ccc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096073653 463167587 /nfs/dbraw/zinc/16/75/87/463167587.db2.gz KKDWMJHDLYQIHP-ZWKOTPCHSA-N 0 0 328.416 2.018 40 0 EEABRN CS(=O)(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 ZINC000096098192 463172007 /nfs/dbraw/zinc/17/20/07/463172007.db2.gz GLKOARGGZJKEIC-UHFFFAOYSA-N 0 0 327.471 2.204 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccccc1Cl ZINC000078973775 463172614 /nfs/dbraw/zinc/17/26/14/463172614.db2.gz JBINZZYMZIXIJA-DOMZBBRYSA-N 0 0 326.824 2.440 40 0 EEABRN COc1cccc(N2CC[C@@H](CNC(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000078979586 463174005 /nfs/dbraw/zinc/17/40/05/463174005.db2.gz XXVOMKUJKWYRIT-HNNXBMFYSA-N 0 0 342.443 2.302 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1 ZINC000078985921 463175066 /nfs/dbraw/zinc/17/50/66/463175066.db2.gz LTCYYMIYNOCFPD-LLVKDONJSA-N 0 0 329.360 2.437 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108830 463176818 /nfs/dbraw/zinc/17/68/18/463176818.db2.gz FMYJQGCFTOASMI-PBHICJAKSA-N 0 0 330.409 2.311 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ncccn3)CC[C@@H]2OC)cc1 ZINC000096110591 463178667 /nfs/dbraw/zinc/17/86/67/463178667.db2.gz VFDRHELHIGHYKA-RDJZCZTQSA-N 0 0 341.411 2.205 40 0 EEABRN COc1ccc(CNC(=O)Nc2cnn([C@H]3CCOC3)c2)cc1OC ZINC000096123225 463182371 /nfs/dbraw/zinc/18/23/71/463182371.db2.gz WOYJRJYMBDZDOJ-AWEZNQCLSA-N 0 0 346.387 2.183 40 0 EEABRN O=C(Nc1nccs1)C1CCN(C(=O)Nc2nccs2)CC1 ZINC000053733918 463185387 /nfs/dbraw/zinc/18/53/87/463185387.db2.gz BNJNUFJIEKJILN-UHFFFAOYSA-N 0 0 337.430 2.482 40 0 EEABRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cccc(Cl)c1 ZINC000079098359 463188640 /nfs/dbraw/zinc/18/86/40/463188640.db2.gz ZJHVWNRNRZQOKD-VXGBXAGGSA-N 0 0 346.880 2.346 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)Cc2ccc3c(c2)OCO3)cs1 ZINC000096218473 463215866 /nfs/dbraw/zinc/21/58/66/463215866.db2.gz BXWYXIWOFMDQER-CQSZACIVSA-N 0 0 346.408 2.323 40 0 EEABRN Cc1cc(C(=O)CN2CCCS2(=O)=O)c(C)n1Cc1ccccc1 ZINC000054205276 463217626 /nfs/dbraw/zinc/21/76/26/463217626.db2.gz CHODANJBNOOMJV-UHFFFAOYSA-N 0 0 346.452 2.371 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000096404898 463239135 /nfs/dbraw/zinc/23/91/35/463239135.db2.gz PIEQZNSVQFTARJ-CYBMUJFWSA-N 0 0 341.415 2.239 40 0 EEABRN CC(C)(C)OC(=O)NC1(c2noc([C@H]3COCCO3)n2)CCC1 ZINC000096405334 463239396 /nfs/dbraw/zinc/23/93/96/463239396.db2.gz CARRVFQWAXVDRN-SNVBAGLBSA-N 0 0 325.365 2.061 40 0 EEABRN C[C@H](CN1CCCC1=O)Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000096408651 463241934 /nfs/dbraw/zinc/24/19/34/463241934.db2.gz OCUGRTFJJGSUHG-CYBMUJFWSA-N 0 0 337.427 2.450 40 0 EEABRN CCCCN(Cc1nnc(C2CCC2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000096410331 463243406 /nfs/dbraw/zinc/24/34/06/463243406.db2.gz AQDBCMXDTICUIY-CYBMUJFWSA-N 0 0 327.450 2.126 40 0 EEABRN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000079726399 463244904 /nfs/dbraw/zinc/24/49/04/463244904.db2.gz ZPGLEQXNPGTIER-SNVBAGLBSA-N 0 0 334.397 2.469 40 0 EEABRN COCCCNC(=O)[C@@H](C)Sc1ncccc1Br ZINC000096411963 463245118 /nfs/dbraw/zinc/24/51/18/463245118.db2.gz KZERIPGMMCZCAX-SECBINFHSA-N 0 0 333.251 2.477 40 0 EEABRN O=C(CN(Cc1ccco1)Cc1ccc(O)cc1)NC1CCOCC1 ZINC000096414864 463247277 /nfs/dbraw/zinc/24/72/77/463247277.db2.gz PHNMUDXAFUIAPD-UHFFFAOYSA-N 0 0 344.411 2.283 40 0 EEABRN CC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCOCC1 ZINC000096416703 463248837 /nfs/dbraw/zinc/24/88/37/463248837.db2.gz UHUOCSKSYUZKJK-CQSZACIVSA-N 0 0 336.819 2.378 40 0 EEABRN C[C@H](Cn1ccnc1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416899 463249655 /nfs/dbraw/zinc/24/96/55/463249655.db2.gz YCPCZZRGZWHZKP-SNVBAGLBSA-N 0 0 328.294 2.038 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)NCCc2cccc(F)c2)ccn1 ZINC000096420255 463251295 /nfs/dbraw/zinc/25/12/95/463251295.db2.gz OLSWEVJZTWMKIW-UHFFFAOYSA-N 0 0 330.363 2.287 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1C ZINC000096423713 463253544 /nfs/dbraw/zinc/25/35/44/463253544.db2.gz UMKLANTUUFAQQN-OLZOCXBDSA-N 0 0 334.370 2.184 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCN(C)c2cc(F)ccc21 ZINC000096428761 463259433 /nfs/dbraw/zinc/25/94/33/463259433.db2.gz GEZJFPRJNVEQAP-UHFFFAOYSA-N 0 0 325.365 2.076 40 0 EEABRN FC(F)(F)c1c[nH]c(C2CCN(c3ncnc4n[nH]cc43)CC2)n1 ZINC000096429643 463259465 /nfs/dbraw/zinc/25/94/65/463259465.db2.gz GTCSHXXYBCTKBC-UHFFFAOYSA-N 0 0 337.309 2.479 40 0 EEABRN COCCc1nnc(SCc2coc(-c3ccccc3)n2)n1N ZINC000096430405 463260472 /nfs/dbraw/zinc/26/04/72/463260472.db2.gz WEZJXOVIUGNNFR-UHFFFAOYSA-N 0 0 331.401 2.128 40 0 EEABRN COCCn1c(C(=O)N2CCCC[C@H]2CC(N)=O)cc2ccccc21 ZINC000096430787 463260495 /nfs/dbraw/zinc/26/04/95/463260495.db2.gz OOGDUPPBLJJBKC-HNNXBMFYSA-N 0 0 343.427 2.158 40 0 EEABRN CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(OC)nn1 ZINC000096431766 463261481 /nfs/dbraw/zinc/26/14/81/463261481.db2.gz LCILSZCDKREZLF-INIZCTEOSA-N 0 0 340.427 2.222 40 0 EEABRN COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096435146 463263745 /nfs/dbraw/zinc/26/37/45/463263745.db2.gz BMYMEWQUOMETKK-CYBMUJFWSA-N 0 0 329.400 2.489 40 0 EEABRN C[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cnn(C)c1 ZINC000096439998 463266119 /nfs/dbraw/zinc/26/61/19/463266119.db2.gz RBYDLRMJLPLXOO-FZMZJTMJSA-N 0 0 349.385 2.337 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)c2cc3c([nH]c2=O)CCCC3)c(C)o1 ZINC000096437492 463266321 /nfs/dbraw/zinc/26/63/21/463266321.db2.gz VIBWZCDMYPGMGS-LJQANCHMSA-N 0 0 344.411 2.101 40 0 EEABRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cn1)C(=O)Nc1cc[nH]n1 ZINC000096449550 463272055 /nfs/dbraw/zinc/27/20/55/463272055.db2.gz ONJVLIHJXCJTRM-LBPRGKRZSA-N 0 0 335.795 2.241 40 0 EEABRN COCCn1cnnc1[S@](=O)Cc1cc(C)nc2ccccc12 ZINC000096452440 463273103 /nfs/dbraw/zinc/27/31/03/463273103.db2.gz MFYAAJSSOYCGQS-QHCPKHFHSA-N 0 0 330.413 2.089 40 0 EEABRN COC(=O)CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000055032899 463277349 /nfs/dbraw/zinc/27/73/49/463277349.db2.gz JUPFGERHESVXBN-UHFFFAOYSA-N 0 0 334.397 2.097 40 0 EEABRN CCc1noc(C)c1CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000096491456 463286773 /nfs/dbraw/zinc/28/67/73/463286773.db2.gz OCCGUQVSGUMTDA-NSHDSACASA-N 0 0 337.445 2.304 40 0 EEABRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1 ZINC000096493288 463287706 /nfs/dbraw/zinc/28/77/06/463287706.db2.gz MPGADRLGWPETJB-HZPDHXFCSA-N 0 0 340.370 2.209 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3cccs3)CC2)nc1C ZINC000096496047 463288989 /nfs/dbraw/zinc/28/89/89/463288989.db2.gz MJJNNWVMPRITNQ-UHFFFAOYSA-N 0 0 346.456 2.345 40 0 EEABRN CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000096500507 463290217 /nfs/dbraw/zinc/29/02/17/463290217.db2.gz DNQFGHITIIUTOW-AWEZNQCLSA-N 0 0 335.469 2.304 40 0 EEABRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CCS(C)(=O)=O ZINC000080168021 463290404 /nfs/dbraw/zinc/29/04/04/463290404.db2.gz OZMNUKWMQHUZGV-XHDPSFHLSA-N 0 0 342.436 2.135 40 0 EEABRN CC(C)n1nnnc1-c1ccc(NC(=O)[C@@H]2OCC[C@H]2C)cc1F ZINC000096501731 463291101 /nfs/dbraw/zinc/29/11/01/463291101.db2.gz WSTZQRXYNOTXPU-QMTHXVAHSA-N 0 0 333.367 2.424 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2nccn2C(F)F)c(C)c1F ZINC000096501597 463291558 /nfs/dbraw/zinc/29/15/58/463291558.db2.gz DATLQQHJNMVFRV-UHFFFAOYSA-N 0 0 349.334 2.213 40 0 EEABRN CSC[C@H]1CCCN1C(=O)c1c[nH]c(C)c(Br)c1=O ZINC000096500654 463291673 /nfs/dbraw/zinc/29/16/73/463291673.db2.gz MDUOJDYTZUYDBG-SECBINFHSA-N 0 0 345.262 2.413 40 0 EEABRN Cc1c(I)cccc1NC(=O)N(C)C[C@@H](C)O ZINC000096500718 463292013 /nfs/dbraw/zinc/29/20/13/463292013.db2.gz WUQZGDVFTUUPBU-MRVPVSSYSA-N 0 0 348.184 2.444 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc(F)c1 ZINC000096519763 463293852 /nfs/dbraw/zinc/29/38/52/463293852.db2.gz KDJCOCLGGQKBOY-BDAKNGLRSA-N 0 0 331.590 2.191 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096521663 463294346 /nfs/dbraw/zinc/29/43/46/463294346.db2.gz ISWCIHQDNREOHT-RYUDHWBXSA-N 0 0 336.251 2.238 40 0 EEABRN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1\SC(=N)NC1=O ZINC000096836080 463299741 /nfs/dbraw/zinc/29/97/41/463299741.db2.gz FVBXGWAKXVNYOJ-CLFYSBASSA-N 0 0 338.186 2.218 40 0 EEABRN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)[C@@H](C)c1cccs1 ZINC000055291919 463306708 /nfs/dbraw/zinc/30/67/08/463306708.db2.gz KIXSZAXRBVOEBH-VIFPVBQESA-N 0 0 343.430 2.030 40 0 EEABRN COCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)no1 ZINC000080418098 463315460 /nfs/dbraw/zinc/31/54/60/463315460.db2.gz IYWJPCXHIFQOMU-ZDUSSCGKSA-N 0 0 349.774 2.010 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cc(F)cc(F)c1 ZINC000097095055 463321905 /nfs/dbraw/zinc/32/19/05/463321905.db2.gz PREJCIQHGQOWKY-BLLLJJGKSA-N 0 0 342.386 2.079 40 0 EEABRN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCc1nc2ccccc2s1 ZINC000097104471 463324776 /nfs/dbraw/zinc/32/47/76/463324776.db2.gz VXWPNCCIUJELEO-BXUZGUMPSA-N 0 0 340.470 2.326 40 0 EEABRN CSc1nnc(C)n1NC(=O)c1ccc(Br)cc1 ZINC000033748353 463423443 /nfs/dbraw/zinc/42/34/43/463423443.db2.gz LPDNGPRYQNABSN-UHFFFAOYSA-N 0 0 327.207 2.455 40 0 EEABRN COCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccc(OC)cc1 ZINC000039963879 463453312 /nfs/dbraw/zinc/45/33/12/463453312.db2.gz VNFFFMRGPIEWQL-UHFFFAOYSA-N 0 0 342.355 2.041 40 0 EEABRN C[C@@H]1CCCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000040639982 463462504 /nfs/dbraw/zinc/46/25/04/463462504.db2.gz GKNQYAFKFKACME-CQSZACIVSA-N 0 0 336.457 2.489 40 0 EEABRN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncccc1Br ZINC000081764145 463489934 /nfs/dbraw/zinc/48/99/34/463489934.db2.gz WMKAYDRAWZFNNT-MRVPVSSYSA-N 0 0 338.161 2.194 40 0 EEABRN CC(C)n1c2ccccc2nc1[C@H](C)NCC(=O)NC(=O)NC1CC1 ZINC000162189210 463490379 /nfs/dbraw/zinc/49/03/79/463490379.db2.gz YMBGGNVKGYCHCQ-LBPRGKRZSA-N 0 0 343.431 2.256 40 0 EEABRN CN(c1ccccc1NC(=O)[C@@H]1COc2ccccc21)S(C)(=O)=O ZINC000151509210 463543313 /nfs/dbraw/zinc/54/33/13/463543313.db2.gz NHSZVCUXEKQEJK-CYBMUJFWSA-N 0 0 346.408 2.197 40 0 EEABRN O=C(CN1CCCOC1=O)NCc1cc(F)ccc1Br ZINC000084584141 463614090 /nfs/dbraw/zinc/61/40/90/463614090.db2.gz QLNSGYWKAJTNKX-UHFFFAOYSA-N 0 0 345.168 2.047 40 0 EEABRN Cc1ocnc1C(=O)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257239019 463757776 /nfs/dbraw/zinc/75/77/76/463757776.db2.gz HNODINBIBPQSBI-LBPRGKRZSA-N 0 0 327.344 2.099 40 0 EEABRN COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)c1cccnn1 ZINC000257231799 463758485 /nfs/dbraw/zinc/75/84/85/463758485.db2.gz GIGPKQBYNPYGJZ-INIZCTEOSA-N 0 0 349.394 2.387 40 0 EEABRN Cc1csc(-c2ccc(C[C@H]3CCN(S(C)(=O)=O)C3)cn2)n1 ZINC000257281720 463760155 /nfs/dbraw/zinc/76/01/55/463760155.db2.gz OQQJLQRCMHRIIF-CYBMUJFWSA-N 0 0 337.470 2.338 40 0 EEABRN Cc1nc(C)c(CC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)s1 ZINC000257311699 463773858 /nfs/dbraw/zinc/77/38/58/463773858.db2.gz UKRIPZPWULSAGN-CYBMUJFWSA-N 0 0 346.456 2.303 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)n1 ZINC000257319918 463776160 /nfs/dbraw/zinc/77/61/60/463776160.db2.gz VUPDFNVMTIMSRV-INIZCTEOSA-N 0 0 339.399 2.127 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CO[C@@H](Cc3cnccn3)C2)CC1 ZINC000257325515 463777381 /nfs/dbraw/zinc/77/73/81/463777381.db2.gz WTGIQGJQUXZDKR-KRWDZBQOSA-N 0 0 338.411 2.126 40 0 EEABRN Cn1cc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257323871 463778105 /nfs/dbraw/zinc/77/81/05/463778105.db2.gz WMEBUYGJBITRJH-OAHLLOKOSA-N 0 0 338.411 2.233 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2ccncc2)cc1 ZINC000257333985 463782130 /nfs/dbraw/zinc/78/21/30/463782130.db2.gz YEAHKMGQQAYCHS-LJQANCHMSA-N 0 0 325.412 2.496 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@@H](c2ccnc(NC)c2)C1 ZINC000257341427 463785437 /nfs/dbraw/zinc/78/54/37/463785437.db2.gz ZKGIGDSBIIZGLM-OAHLLOKOSA-N 0 0 327.432 2.288 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)c1C ZINC000257343593 463787720 /nfs/dbraw/zinc/78/77/20/463787720.db2.gz ZTPPUIMNVBXUIA-HNNXBMFYSA-N 0 0 345.447 2.166 40 0 EEABRN Cc1cc(CC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)no1 ZINC000172237754 464025821 /nfs/dbraw/zinc/02/58/21/464025821.db2.gz JSLXSQUVZWJKBR-HNNXBMFYSA-N 0 0 347.802 2.443 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 ZINC000218210574 464109047 /nfs/dbraw/zinc/10/90/47/464109047.db2.gz FQFLOGFOGDUONG-AXFHLTTASA-N 0 0 348.287 2.252 40 0 EEABRN COc1ccc(CC(=O)NCc2ccnc(N3CCCCC3)n2)cc1 ZINC000224207207 464150299 /nfs/dbraw/zinc/15/02/99/464150299.db2.gz NTTSTGHHOSAOOY-UHFFFAOYSA-N 0 0 340.427 2.334 40 0 EEABRN CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)c1 ZINC000224676712 464151376 /nfs/dbraw/zinc/15/13/76/464151376.db2.gz VSZADZDUBJUITL-UHFFFAOYSA-N 0 0 349.408 2.454 40 0 EEABRN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)O1 ZINC000225422458 464158270 /nfs/dbraw/zinc/15/82/70/464158270.db2.gz NMTAUGKBRACVCE-SQNIBIBYSA-N 0 0 344.455 2.423 40 0 EEABRN CC1(C)CN(C(=O)NCCCCn2ccccc2=O)CC(C)(C)O1 ZINC000225511256 464167315 /nfs/dbraw/zinc/16/73/15/464167315.db2.gz VQWQCVNVYLXYDC-UHFFFAOYSA-N 0 0 335.448 2.228 40 0 EEABRN O=C([C@@H]1CCCc2cccnc21)N1CCO[C@@H](COCC2CC2)C1 ZINC000225523626 464169233 /nfs/dbraw/zinc/16/92/33/464169233.db2.gz YNQMTIADUZGAJN-IAGOWNOFSA-N 0 0 330.428 2.156 40 0 EEABRN Cc1cc(Br)ccc1NCC(=O)NCc1ccnn1C ZINC000225555606 464170454 /nfs/dbraw/zinc/17/04/54/464170454.db2.gz AEOAZPMFOJWTQG-UHFFFAOYSA-N 0 0 337.221 2.219 40 0 EEABRN CCc1c(C(=O)N[C@@H]2CCC(=O)NC2)cnn1-c1ccccc1Cl ZINC000225628629 464176958 /nfs/dbraw/zinc/17/69/58/464176958.db2.gz QYQNRACNOFLCBR-LLVKDONJSA-N 0 0 346.818 2.097 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225677883 464179134 /nfs/dbraw/zinc/17/91/34/464179134.db2.gz MXLRIJVRLUVWCU-CQSZACIVSA-N 0 0 327.384 2.395 40 0 EEABRN Nc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1N1CCOCC1 ZINC000226262398 464183611 /nfs/dbraw/zinc/18/36/11/464183611.db2.gz SIYNUJLHBDBNSH-UHFFFAOYSA-N 0 0 338.622 2.414 40 0 EEABRN CCOc1ccnc(N2CCCN(Cc3cnn(C(C)C)c3)CC2)n1 ZINC000180606576 464347725 /nfs/dbraw/zinc/34/77/25/464347725.db2.gz WOBLAQULYBPLIF-UHFFFAOYSA-N 0 0 344.463 2.365 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C[C@@H](C)O)[nH]n2)cc1C ZINC000189148587 464445028 /nfs/dbraw/zinc/44/50/28/464445028.db2.gz LTPDAMNSOCOODC-GDBMZVCRSA-N 0 0 343.427 2.305 40 0 EEABRN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@@H](O)CC(F)(F)F ZINC000189345235 464480484 /nfs/dbraw/zinc/48/04/84/464480484.db2.gz ITKCKRVVXKBDBT-JTQLQIEISA-N 0 0 325.290 2.271 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000247795080 464706741 /nfs/dbraw/zinc/70/67/41/464706741.db2.gz CCPVQKHJESRNJO-MRXNPFEDSA-N 0 0 339.395 2.067 40 0 EEABRN O=C(C1CCOCC1)N1Cc2cccn2[C@H](COc2ccccn2)C1 ZINC000247851131 464710444 /nfs/dbraw/zinc/71/04/44/464710444.db2.gz ISLPSUPGBYHEIL-KRWDZBQOSA-N 0 0 341.411 2.272 40 0 EEABRN COc1cc(N2CC3(C2)C[C@H](Oc2ccccn2)CS3)ncn1 ZINC000247883742 464711942 /nfs/dbraw/zinc/71/19/42/464711942.db2.gz KCBHPSXPOMNWDG-LBPRGKRZSA-N 0 0 330.413 2.024 40 0 EEABRN c1csc(CN2CC3(C2)C[C@H](OCc2cccnc2)CCO3)n1 ZINC000247953921 464716789 /nfs/dbraw/zinc/71/67/89/464716789.db2.gz NFRMHHRWMMJCRK-OAHLLOKOSA-N 0 0 331.441 2.488 40 0 EEABRN COc1ccccc1CN1CCn2cc(C(=O)N(C)C)nc2[C@@H]1C ZINC000248042126 464724990 /nfs/dbraw/zinc/72/49/90/464724990.db2.gz VTIQJBAFDXDUGO-ZDUSSCGKSA-N 0 0 328.416 2.170 40 0 EEABRN COc1ccccc1CN1CC2(C1)OCC[C@H]2CCN1CCCC1=O ZINC000248149415 464734192 /nfs/dbraw/zinc/73/41/92/464734192.db2.gz VATJGFRHQXPIBV-QGZVFWFLSA-N 0 0 344.455 2.299 40 0 EEABRN Cc1csc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1Br ZINC000190938887 464749198 /nfs/dbraw/zinc/74/91/98/464749198.db2.gz QYMLOXKJSUOJSF-JTQLQIEISA-N 0 0 347.278 2.222 40 0 EEABRN CN(CCc1cccs1)c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000266243524 464769475 /nfs/dbraw/zinc/76/94/75/464769475.db2.gz XWDGNQFODZQDJD-AWEZNQCLSA-N 0 0 332.473 2.426 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N[C@H]2CCC(=O)NC23CCC3)o1 ZINC000252491267 464967023 /nfs/dbraw/zinc/96/70/23/464967023.db2.gz LKBILXMKIFNXQD-WFASDCNBSA-N 0 0 333.432 2.410 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000252570802 464982356 /nfs/dbraw/zinc/98/23/56/464982356.db2.gz XGTDYKOHKSAMBO-AAEUAGOBSA-N 0 0 333.400 2.194 40 0 EEABRN COc1ccccc1N1CC[C@@H](N[C@@H](CCO)c2ccco2)C1=O ZINC000192787972 464997248 /nfs/dbraw/zinc/99/72/48/464997248.db2.gz TYWQRNMIBUFBKH-UONOGXRCSA-N 0 0 330.384 2.107 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000253398597 465001576 /nfs/dbraw/zinc/00/15/76/465001576.db2.gz XMNMAHLWEBNLTD-INIZCTEOSA-N 0 0 332.448 2.106 40 0 EEABRN FC(F)(F)c1nsc(NCc2ccc(N3CCOCC3)nc2)n1 ZINC000253415256 465002850 /nfs/dbraw/zinc/00/28/50/465002850.db2.gz VZZPAMJQZKALMR-UHFFFAOYSA-N 0 0 345.350 2.401 40 0 EEABRN Cn1nccc1COCC(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000253415280 465002882 /nfs/dbraw/zinc/00/28/82/465002882.db2.gz NHFBCOCHXDRSJE-UHFFFAOYSA-N 0 0 339.355 2.158 40 0 EEABRN Cc1noc(C)c1CN1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000253417161 465005724 /nfs/dbraw/zinc/00/57/24/465005724.db2.gz IFZVHLZJDDVLQS-UHFFFAOYSA-N 0 0 335.429 2.073 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1C(=O)N1CCC=C(F)C1 ZINC000253426063 465010227 /nfs/dbraw/zinc/01/02/27/465010227.db2.gz ALCYZKOHBFRBEK-CQSZACIVSA-N 0 0 346.358 2.106 40 0 EEABRN CN(C(=O)c1n[nH]c2c1CCCCC2)[C@@H](CC(N)=O)c1ccccc1 ZINC000253432280 465014483 /nfs/dbraw/zinc/01/44/83/465014483.db2.gz XREKFVIMOSZWBY-INIZCTEOSA-N 0 0 340.427 2.367 40 0 EEABRN CS(=O)(=O)c1ccccc1N1CC[C@@H](OCc2ccncc2)C1 ZINC000192908316 465014756 /nfs/dbraw/zinc/01/47/56/465014756.db2.gz FVSLUYKAZZLONS-OAHLLOKOSA-N 0 0 332.425 2.281 40 0 EEABRN O=c1c2ccccc2cnn1CCS(=O)(=O)c1ccc(F)cc1 ZINC000193000521 465021475 /nfs/dbraw/zinc/02/14/75/465021475.db2.gz SIHTWPLPBBMASQ-UHFFFAOYSA-N 0 0 332.356 2.010 40 0 EEABRN O=C(CN(C[C@H]1CCCO1)c1ncnc2ccsc21)N1CCCC1 ZINC000329394057 465319916 /nfs/dbraw/zinc/31/99/16/465319916.db2.gz STFSPDWRLXQXHF-CYBMUJFWSA-N 0 0 346.456 2.299 40 0 EEABRN O=S(=O)(c1cncc(F)c1)N1CCN(C2CC2)c2ccccc21 ZINC000330249500 465587053 /nfs/dbraw/zinc/58/70/53/465587053.db2.gz ZWQLGYSTNVBXGR-UHFFFAOYSA-N 0 0 333.388 2.398 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](COc3ncccn3)C2)o1 ZINC000306125494 466490213 /nfs/dbraw/zinc/49/02/13/466490213.db2.gz CSNLFDHGBXVXJC-HNNXBMFYSA-N 0 0 325.372 2.210 40 0 EEABRN COCCn1c(C)cc(/C=C2/SC(=O)N(CCOC)C2=O)c1C ZINC000409126411 466685335 /nfs/dbraw/zinc/68/53/35/466685335.db2.gz NZRLYDOFWMYIAY-GXDHUFHOSA-N 0 0 338.429 2.434 40 0 EEABRN COCCN1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O ZINC000409134511 466686020 /nfs/dbraw/zinc/68/60/20/466686020.db2.gz UFESPPSFIBSAKL-AWNIVKPZSA-N 0 0 337.353 2.107 40 0 EEABRN Cc1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422787 468143705 /nfs/dbraw/zinc/14/37/05/468143705.db2.gz WLZKROGEWHPAKK-RBUKOAKNSA-N 0 0 345.464 2.155 40 0 EEABRN COc1nc(CNC(=O)Nc2cccc(C)c2)nc(N2CCCC2)n1 ZINC000575603287 468145110 /nfs/dbraw/zinc/14/51/10/468145110.db2.gz BZMTUDXXIHPOQI-UHFFFAOYSA-N 0 0 342.403 2.111 40 0 EEABRN O=C(Cc1ccccc1F)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575607236 468146325 /nfs/dbraw/zinc/14/63/25/468146325.db2.gz YPVAQNOOOCRQLL-CQSZACIVSA-N 0 0 333.338 2.367 40 0 EEABRN C[C@@H]1c2ncc(CCOCC3CC3)n2CCN1C(=O)CC1(O)CCC1 ZINC000585098672 468966896 /nfs/dbraw/zinc/96/68/96/468966896.db2.gz WPYZOCASZYNMLQ-CQSZACIVSA-N 0 0 347.459 2.061 40 0 EEABRN CCCNC(=O)C1=NO[C@@]2(C1)CCCN(Cc1cnn(C(C)C)c1)C2 ZINC000585101237 468968370 /nfs/dbraw/zinc/96/83/70/468968370.db2.gz PUJJRUGSWWXHQL-GOSISDBHSA-N 0 0 347.463 2.101 40 0 EEABRN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)C1CC(O)C1)CC2 ZINC000585110451 468973581 /nfs/dbraw/zinc/97/35/81/468973581.db2.gz XTGHUEBVRMBKJT-UHFFFAOYSA-N 0 0 325.412 2.083 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)c1ccco1 ZINC000585111867 468975118 /nfs/dbraw/zinc/97/51/18/468975118.db2.gz DKWQSXRBXCGTQZ-AWEZNQCLSA-N 0 0 340.383 2.446 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)C1CC1 ZINC000585112684 468975502 /nfs/dbraw/zinc/97/55/02/468975502.db2.gz VEWKLWOVRFOGPM-KRWDZBQOSA-N 0 0 342.418 2.495 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cc(C)c1F ZINC000585140352 468989305 /nfs/dbraw/zinc/98/93/05/468989305.db2.gz CAFXGWQKSHPKKI-LLVKDONJSA-N 0 0 331.347 2.273 40 0 EEABRN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cncc(F)c2Cl)C1 ZINC000585140767 468990269 /nfs/dbraw/zinc/99/02/69/468990269.db2.gz KQEDHZSLOOVQGO-NSHDSACASA-N 0 0 339.798 2.253 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2cccnc2)C(=O)C1 ZINC000585150155 468994251 /nfs/dbraw/zinc/99/42/51/468994251.db2.gz IEIJZJPLDNLNAE-UHFFFAOYSA-N 0 0 329.787 2.153 40 0 EEABRN O=C(C1CCC1)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000585182584 468995965 /nfs/dbraw/zinc/99/59/65/468995965.db2.gz ZPILOOIQZOVXOZ-CYBMUJFWSA-N 0 0 325.416 2.448 40 0 EEABRN CNC(=O)CC[C@@]1(OC)CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000585276433 469000452 /nfs/dbraw/zinc/00/04/52/469000452.db2.gz ACBLYTZDJNEXMZ-INIZCTEOSA-N 0 0 346.418 2.346 40 0 EEABRN CCCn1nccc1C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585277020 469001804 /nfs/dbraw/zinc/00/18/04/469001804.db2.gz RLGDQLWUOBLZJT-QAPCUYQASA-N 0 0 345.418 2.498 40 0 EEABRN Cc1ccnc(CC(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)c1 ZINC000585277482 469001878 /nfs/dbraw/zinc/00/18/78/469001878.db2.gz VMNJTLSMIZEOAF-IBGZPJMESA-N 0 0 344.386 2.114 40 0 EEABRN CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000585277252 469001928 /nfs/dbraw/zinc/00/19/28/469001928.db2.gz LHGVPZBOVKJXAP-LJQANCHMSA-N 0 0 348.443 2.234 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585278985 469005203 /nfs/dbraw/zinc/00/52/03/469005203.db2.gz JUBOJMCGQZWRRG-RHSMWYFYSA-N 0 0 329.375 2.336 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)Cc3ccccn3)[C@H]2O)cc1 ZINC000585283806 469007349 /nfs/dbraw/zinc/00/73/49/469007349.db2.gz DYCXLFHASBNKKJ-XFQXTVEOSA-N 0 0 340.423 2.267 40 0 EEABRN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccncc1OC ZINC000614348849 469917380 /nfs/dbraw/zinc/91/73/80/469917380.db2.gz PINRBKLNEDFZPI-GDBMZVCRSA-N 0 0 344.415 2.091 40 0 EEABRN COc1cccc2c1CN(C(=O)NC[C@@H]1CCCN1CC(F)F)C2 ZINC000624565895 469977749 /nfs/dbraw/zinc/97/77/49/469977749.db2.gz JEZVTODZGFRWJW-ZDUSSCGKSA-N 0 0 339.386 2.450 40 0 EEABRN Cc1noc([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000624649599 469997474 /nfs/dbraw/zinc/99/74/74/469997474.db2.gz JZXRURGZVSCEIE-NSHDSACASA-N 0 0 333.363 2.443 40 0 EEABRN O=C(NCc1cccs1)NC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000390827263 485667605 /nfs/dbraw/zinc/66/76/05/485667605.db2.gz FXTHCINKDWKLSN-ZDUSSCGKSA-N 0 0 334.397 2.052 40 0 EEABRN COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000106765977 533953006 /nfs/dbraw/zinc/95/30/06/533953006.db2.gz OKNCGNSBWRRIMQ-UVTDQMKNSA-N 0 0 346.408 2.354 40 0 EEABRN C[C@@H](C[S@](C)=O)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000189903959 534224855 /nfs/dbraw/zinc/22/48/55/534224855.db2.gz GXEZJBMZYVOOTM-MGUXCZDKSA-N 0 0 330.400 2.406 40 0 EEABRN Fc1cccnc1OC[C@H]1CCOC12CN(Cc1nccs1)C2 ZINC000247510598 526420046 /nfs/dbraw/zinc/42/00/46/526420046.db2.gz IHJMKLWLHMOAQB-GFCCVEGCSA-N 0 0 335.404 2.347 40 0 EEABRN CC(C)(C(=O)NCCN1C(=O)CCC1=O)c1ccc(Cl)cc1F ZINC000190430416 527519927 /nfs/dbraw/zinc/51/99/27/527519927.db2.gz JDLDYRUKXJNDBX-UHFFFAOYSA-N 0 0 340.782 2.022 40 0 EEABRN CCCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1OC ZINC000226045951 535179571 /nfs/dbraw/zinc/17/95/71/535179571.db2.gz CMZNPVLUSHXPEK-UHFFFAOYSA-N 0 0 342.461 2.159 40 0 EEABRN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1 ZINC000257263866 535425011 /nfs/dbraw/zinc/42/50/11/535425011.db2.gz LRUHQANOBIMAFZ-OAHLLOKOSA-N 0 0 335.429 2.345 40 0 EEABRN COCCNC(=S)Nc1nc(OC)cc(Oc2ccccc2)n1 ZINC000225897182 536891969 /nfs/dbraw/zinc/89/19/69/536891969.db2.gz RTXWSCJNWBYVGC-UHFFFAOYSA-N 0 0 334.401 2.210 40 0 EEABRN Cn1nccc1NC(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000930805569 1206584495 /nfs/dbraw/zinc/58/44/95/1206584495.db2.gz KMHJYTRAKXOWFS-UHFFFAOYSA-N 0 0 342.399 2.396 40 0 EEABRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)cc1 ZINC000055590980 214331812 /nfs/dbraw/zinc/33/18/12/214331812.db2.gz XQUQFZVKLFRWHG-UHFFFAOYSA-N 0 0 342.380 2.271 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1ccc(OC)cc1 ZINC000012084938 201825261 /nfs/dbraw/zinc/82/52/61/201825261.db2.gz UVQIXCIKBMCUFY-CYBMUJFWSA-N 0 0 341.367 2.207 40 0 EEABRN Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)n1 ZINC000012159676 201829318 /nfs/dbraw/zinc/82/93/18/201829318.db2.gz VHBWEIGYTMDKOO-CYBMUJFWSA-N 0 0 346.884 2.331 40 0 EEABRN COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)c(OC)c1 ZINC000013115843 201885571 /nfs/dbraw/zinc/88/55/71/201885571.db2.gz ZDTCYZIXGXRFNW-HMEQZMJYSA-N 0 0 325.364 2.405 40 0 EEABRN O=C(c1ccccn1)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000013267760 201888214 /nfs/dbraw/zinc/88/82/14/201888214.db2.gz FUJQMECPIJWYFZ-UHFFFAOYSA-N 0 0 336.395 2.099 40 0 EEABRN CN(Cc1cnn(-c2ccccc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245339119 282586027 /nfs/dbraw/zinc/58/60/27/282586027.db2.gz QOFMOKXKSYQMFW-DLBZAZTESA-N 0 0 348.472 2.055 40 0 EEABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CC)cc1 ZINC000016610252 201977265 /nfs/dbraw/zinc/97/72/65/201977265.db2.gz DQNKGLDQNCELDZ-ZDUSSCGKSA-N 0 0 342.461 2.011 40 0 EEABRN CN(Cc1cn(C)nn1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000585101464 539980650 /nfs/dbraw/zinc/98/06/50/539980650.db2.gz UIMNRXBPEJLQIJ-UHFFFAOYSA-N 0 0 333.367 2.407 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N(C(C)C)C(C)C)c(=O)c1n2C ZINC000019125930 201998771 /nfs/dbraw/zinc/99/87/71/201998771.db2.gz FXGFIPIRKLZOPZ-UHFFFAOYSA-N 0 0 344.415 2.435 40 0 EEABRN CCN(CC)C(=O)CN1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019526221 202009704 /nfs/dbraw/zinc/00/97/04/202009704.db2.gz YUDBINQKBOMMIN-UHFFFAOYSA-N 0 0 343.431 2.179 40 0 EEABRN CCc1nnsc1C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000019521901 202010221 /nfs/dbraw/zinc/01/02/21/202010221.db2.gz FEPXNZIKSQYTJZ-CYBMUJFWSA-N 0 0 345.403 2.493 40 0 EEABRN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccnn1C1CCCC1 ZINC000019714120 202016967 /nfs/dbraw/zinc/01/69/67/202016967.db2.gz UIPMFMXQOMUSLX-INIZCTEOSA-N 0 0 342.447 2.298 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)c1 ZINC000024354557 202114543 /nfs/dbraw/zinc/11/45/43/202114543.db2.gz PJAZEZIDDRTLQK-UHFFFAOYSA-N 0 0 349.408 2.303 40 0 EEABRN O=C(Cc1ccccc1F)Nc1ccccc1C(=O)N1CCOCC1 ZINC000027972243 202162792 /nfs/dbraw/zinc/16/27/92/202162792.db2.gz OPIMPPGMBKNZRN-UHFFFAOYSA-N 0 0 342.370 2.479 40 0 EEABRN COc1ccccc1OCCNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000031357617 202204379 /nfs/dbraw/zinc/20/43/79/202204379.db2.gz OLVMOXPLVIUSTM-UHFFFAOYSA-N 0 0 345.395 2.450 40 0 EEABRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(N)=O)cc2)c1 ZINC000069537128 202286695 /nfs/dbraw/zinc/28/66/95/202286695.db2.gz QPKCWVSVEZSYKC-CQSZACIVSA-N 0 0 341.411 2.420 40 0 EEABRN COc1ccc(-c2cc(N3CCN(C(=O)C(C)C)CC3)ncn2)cc1 ZINC000070637603 202336608 /nfs/dbraw/zinc/33/66/08/202336608.db2.gz BRLMLHKWTDQQHA-UHFFFAOYSA-N 0 0 340.427 2.457 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C12CCCC2 ZINC000072535891 202364476 /nfs/dbraw/zinc/36/44/76/202364476.db2.gz QFQCJKYXHSXMQL-HRCADAONSA-N 0 0 334.460 2.241 40 0 EEABRN NC(=O)CCN(Cc1nnc(-c2ccco2)o1)c1ccc(F)cc1 ZINC000072604398 202365437 /nfs/dbraw/zinc/36/54/37/202365437.db2.gz SNVOINXFWUFCTG-UHFFFAOYSA-N 0 0 330.319 2.351 40 0 EEABRN CN1CC[C@H](C(=O)NCCCO[C@@H]2CCCc3ccccc32)CC1=O ZINC000072673809 202367342 /nfs/dbraw/zinc/36/73/42/202367342.db2.gz YJKWQRAOMOUXRA-FUHWJXTLSA-N 0 0 344.455 2.455 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@@H]1c1cccs1 ZINC000072238090 202356629 /nfs/dbraw/zinc/35/66/29/202356629.db2.gz ZHEYZRJNYWEPIA-CZUORRHYSA-N 0 0 346.456 2.061 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)COCc1nc(-c2ccccc2)no1 ZINC000072241460 202357769 /nfs/dbraw/zinc/35/77/69/202357769.db2.gz UKOWSIPDTSSJAE-UHFFFAOYSA-N 0 0 341.371 2.242 40 0 EEABRN Cc1ccn(-c2ccc(Nc3nc(N)nc4c3nc(C)n4C)cc2)n1 ZINC000072240952 202358157 /nfs/dbraw/zinc/35/81/57/202358157.db2.gz HSVWOGWAXLKNTE-UHFFFAOYSA-N 0 0 334.387 2.492 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000072264745 202359729 /nfs/dbraw/zinc/35/97/29/202359729.db2.gz ZHINGCPDTNFXMD-BETUJISGSA-N 0 0 336.457 2.262 40 0 EEABRN CC(=O)NC(C)(C)c1noc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000072549036 202363542 /nfs/dbraw/zinc/36/35/42/202363542.db2.gz MQNKNQLSSUDPIC-ZDUSSCGKSA-N 0 0 342.399 2.270 40 0 EEABRN CN(C)Cc1nc(C(C)(C)NC(=O)c2cc3ccccn3c2)no1 ZINC000073259388 202370064 /nfs/dbraw/zinc/37/00/64/202370064.db2.gz NUNHUEFCIPRHEH-UHFFFAOYSA-N 0 0 327.388 2.049 40 0 EEABRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cnn2c1OCCC2 ZINC000077889212 202394398 /nfs/dbraw/zinc/39/43/98/202394398.db2.gz JMHUXWQBHPYXAT-UHFFFAOYSA-N 0 0 341.289 2.494 40 0 EEABRN COC(=O)CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000078551876 202396081 /nfs/dbraw/zinc/39/60/81/202396081.db2.gz UJUMSSFBGTXJSF-INIZCTEOSA-N 0 0 344.411 2.132 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000078556377 202397094 /nfs/dbraw/zinc/39/70/94/202397094.db2.gz SFCNNTDLIGFPBH-ZNMIVQPWSA-N 0 0 339.457 2.101 40 0 EEABRN C[C@@H](C(=O)N1CCCC1)S(=O)(=O)c1cccc(Br)c1 ZINC000076585598 202389097 /nfs/dbraw/zinc/38/90/97/202389097.db2.gz NWVYKRFYWZKMOE-JTQLQIEISA-N 0 0 346.246 2.234 40 0 EEABRN Cc1noc([C@@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2F)n1 ZINC000078394890 202390676 /nfs/dbraw/zinc/39/06/76/202390676.db2.gz IQJADXLVYVXUAF-MRVPVSSYSA-N 0 0 349.322 2.356 40 0 EEABRN O=C(NCCCC(=O)N1CCc2ccccc21)NCC[C@H]1CCCO1 ZINC000078924978 202409062 /nfs/dbraw/zinc/40/90/62/202409062.db2.gz HJYHLPBXLWYXCD-MRXNPFEDSA-N 0 0 345.443 2.224 40 0 EEABRN Cc1ncsc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000078984872 202412997 /nfs/dbraw/zinc/41/29/97/202412997.db2.gz LKCSMLADHAVMRT-UHFFFAOYSA-N 0 0 325.411 2.353 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000078985888 202413514 /nfs/dbraw/zinc/41/35/14/202413514.db2.gz YUGODOKBCDYIBO-ZWNOBZJWSA-N 0 0 349.412 2.277 40 0 EEABRN Cc1ccccc1OCc1ccc(C(=O)NCCN2CCOCC2)o1 ZINC000027972680 212590896 /nfs/dbraw/zinc/59/08/96/212590896.db2.gz VKEUTRGXGOEQON-UHFFFAOYSA-N 0 0 344.411 2.229 40 0 EEABRN Cc1ccc(C(C)(C)CNC(=O)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000279935310 201323806 /nfs/dbraw/zinc/32/38/06/201323806.db2.gz NLRNILOOTKAKGP-UHFFFAOYSA-N 0 0 338.473 2.149 40 0 EEABRN Cn1c2ccccc2sc1=NC(=O)c1csc(-c2nc[nH]n2)n1 ZINC000330032562 201363153 /nfs/dbraw/zinc/36/31/53/201363153.db2.gz PFCAFJRSNGANMJ-JXAWBTAJSA-N 0 0 342.409 2.223 40 0 EEABRN C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000048940567 202613190 /nfs/dbraw/zinc/61/31/90/202613190.db2.gz VNXZNBUDDPLIJH-BXKDBHETSA-N 0 0 340.221 2.169 40 0 EEABRN Cc1cc(C(C)C)nc(N2CCN(Cc3ccnc(N)c3)CC2)n1 ZINC000193561487 240216199 /nfs/dbraw/zinc/21/61/99/240216199.db2.gz JSOYZLDCBKWPLE-UHFFFAOYSA-N 0 0 326.448 2.208 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000219482661 241390605 /nfs/dbraw/zinc/39/06/05/241390605.db2.gz OXNZLZJDOOTPRR-CYBMUJFWSA-N 0 0 348.424 2.488 40 0 EEABRN Cc1ccc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222759131 241554858 /nfs/dbraw/zinc/55/48/58/241554858.db2.gz RYDVDAUVMUYVRO-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN S=C(Nc1nc(Cl)cc(N2CCOCC2)n1)NC1CCCC1 ZINC000226007200 242085172 /nfs/dbraw/zinc/08/51/72/242085172.db2.gz KJNBSVHOWKFLDY-UHFFFAOYSA-N 0 0 341.868 2.196 40 0 EEABRN Cc1cnc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)s1 ZINC000227160601 242125698 /nfs/dbraw/zinc/12/56/98/242125698.db2.gz BDDFXRQCKCSKBH-UHFFFAOYSA-N 0 0 347.375 2.400 40 0 EEABRN O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](n2cccn2)C1 ZINC000241837507 243002884 /nfs/dbraw/zinc/00/28/84/243002884.db2.gz SKSJPAHDAHMGFT-MRXNPFEDSA-N 0 0 336.399 2.000 40 0 EEABRN COc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1OC ZINC000006285306 201677733 /nfs/dbraw/zinc/67/77/33/201677733.db2.gz GWSZXWKPVGGCHO-KRWDZBQOSA-N 0 0 329.352 2.160 40 0 EEABRN Cc1nn2cnnc2c(C)c1CCC(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000071284663 203089650 /nfs/dbraw/zinc/08/96/50/203089650.db2.gz BBIFNAOBXPREDC-ILXRZTDVSA-N 0 0 325.416 2.002 40 0 EEABRN COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2ccnnc2)cc1 ZINC000257201067 244121091 /nfs/dbraw/zinc/12/10/91/244121091.db2.gz AGBJZXTZQIMINF-INIZCTEOSA-N 0 0 335.367 2.079 40 0 EEABRN CN(C)c1nccc([C@@H]2CCCCN2Cc2cnn3cccnc23)n1 ZINC000257218262 244173774 /nfs/dbraw/zinc/17/37/74/244173774.db2.gz DCLBUHZLDDBKJD-INIZCTEOSA-N 0 0 337.431 2.313 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000257213657 244159614 /nfs/dbraw/zinc/15/96/14/244159614.db2.gz CIOMFNLOGZVRQX-INIZCTEOSA-N 0 0 338.411 2.126 40 0 EEABRN Cn1cnnc1C1C[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257226824 244203829 /nfs/dbraw/zinc/20/38/29/244203829.db2.gz FMIQLMYQIPMWAZ-UHFFFAOYSA-N 0 0 338.367 2.373 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000257243582 244250837 /nfs/dbraw/zinc/25/08/37/244250837.db2.gz IHQANBMNOWLWOO-ZDUSSCGKSA-N 0 0 345.472 2.307 40 0 EEABRN Cc1nc([C@H]2CN(Cc3ccccn3)CCO2)cc(N2CCCC2)n1 ZINC000072387750 203212384 /nfs/dbraw/zinc/21/23/84/203212384.db2.gz YCEHNZKKBXINRR-GOSISDBHSA-N 0 0 339.443 2.354 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 ZINC000257234322 244224510 /nfs/dbraw/zinc/22/45/10/244224510.db2.gz GSZGXUPDOMQXTE-OAHLLOKOSA-N 0 0 345.447 2.039 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2scnc2C)nc1 ZINC000257235674 244226050 /nfs/dbraw/zinc/22/60/50/244226050.db2.gz GYWHAGZPXHENCD-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN O=C(Cn1ncn2c(cc3ccsc32)c1=O)N1CCCCCC1 ZINC000072335247 203201813 /nfs/dbraw/zinc/20/18/13/203201813.db2.gz UOQGDBMGZAIZHK-UHFFFAOYSA-N 0 0 330.413 2.113 40 0 EEABRN CCn1c2ccccc2n2c(=O)n(CC(=O)N(C(C)C)C(C)C)nc12 ZINC000072347034 203203200 /nfs/dbraw/zinc/20/32/00/203203200.db2.gz WTLYRZCGCIIUHP-UHFFFAOYSA-N 0 0 343.431 2.116 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC(O)(c3cccnc3F)CC2)on1 ZINC000072340041 203203822 /nfs/dbraw/zinc/20/38/22/203203822.db2.gz RZMQOHWCPDPIGB-UHFFFAOYSA-N 0 0 333.363 2.456 40 0 EEABRN Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)c2sc(C)c(C)n12 ZINC000072351272 203204600 /nfs/dbraw/zinc/20/46/00/203204600.db2.gz LEKLIJSHOYHQNA-LBPRGKRZSA-N 0 0 327.475 2.460 40 0 EEABRN Cc1nccn1-c1nccnc1C1CCN(C(=O)c2cccnc2)CC1 ZINC000072350603 203205452 /nfs/dbraw/zinc/20/54/52/203205452.db2.gz GGZNDNSLZBGREN-UHFFFAOYSA-N 0 0 348.410 2.386 40 0 EEABRN COCCN1C(=O)Cc2c1nc([C@@]1(C)CCCN1C(C)C)nc2C ZINC000257241030 244241740 /nfs/dbraw/zinc/24/17/40/244241740.db2.gz HWIWNHQCROPVHY-GOSISDBHSA-N 0 0 332.448 2.040 40 0 EEABRN CCC(=O)N1CCO[C@@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257240749 244242794 /nfs/dbraw/zinc/24/27/94/244242794.db2.gz HVACOUGGHNEXEK-CQSZACIVSA-N 0 0 329.404 2.177 40 0 EEABRN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN1C(C)C)nc2C ZINC000257241031 244242829 /nfs/dbraw/zinc/24/28/29/244242829.db2.gz HWIWNHQCROPVHY-SFHVURJKSA-N 0 0 332.448 2.040 40 0 EEABRN O=C(CC1CC1)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 ZINC000257247052 244260927 /nfs/dbraw/zinc/26/09/27/244260927.db2.gz IXELAAGHSMNHIM-GOSISDBHSA-N 0 0 329.444 2.377 40 0 EEABRN Cn1nccc1-c1cnc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1 ZINC000257250184 244268079 /nfs/dbraw/zinc/26/80/79/244268079.db2.gz JLKBAIPSVMEFFX-CYBMUJFWSA-N 0 0 327.432 2.314 40 0 EEABRN Cn1nc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)c2nccnc21 ZINC000072393909 203212973 /nfs/dbraw/zinc/21/29/73/203212973.db2.gz YYJFGTPZCJYWOQ-KBPBESRZSA-N 0 0 325.416 2.426 40 0 EEABRN O=C(C=Cc1ccccc1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257257658 244286893 /nfs/dbraw/zinc/28/68/93/244286893.db2.gz KQOXVDXIQYWLFX-NADMHLTPSA-N 0 0 339.395 2.056 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000257258322 244290073 /nfs/dbraw/zinc/29/00/73/244290073.db2.gz KTIFHKSBPIIJQW-CYBMUJFWSA-N 0 0 335.404 2.411 40 0 EEABRN Cc1cnc([C@H]2CN(Cc3cnn4c3nc(C)cc4C)CCO2)cn1 ZINC000257265845 244361813 /nfs/dbraw/zinc/36/18/13/244361813.db2.gz MAPCSSLJCMCYQH-QGZVFWFLSA-N 0 0 338.415 2.018 40 0 EEABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)[nH]n1 ZINC000257268602 244369630 /nfs/dbraw/zinc/36/96/30/244369630.db2.gz MMJSWUNFYYSMMI-LBPRGKRZSA-N 0 0 342.447 2.174 40 0 EEABRN O=S(=O)(C1CCCC1)N1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257264877 244357795 /nfs/dbraw/zinc/35/77/95/244357795.db2.gz LWIRRFXNUFMKAJ-XOKHGSTOSA-N 0 0 336.457 2.443 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257274280 244389529 /nfs/dbraw/zinc/38/95/29/244389529.db2.gz NKIKKOFTKOVHGY-QGZVFWFLSA-N 0 0 344.415 2.231 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n1 ZINC000257322266 244521773 /nfs/dbraw/zinc/52/17/73/244521773.db2.gz WFGKKSRNFDBXPW-QGZVFWFLSA-N 0 0 336.395 2.490 40 0 EEABRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000019499708 212033803 /nfs/dbraw/zinc/03/38/03/212033803.db2.gz XEUVDFRHXBDGQC-MRXNPFEDSA-N 0 0 328.464 2.155 40 0 EEABRN Cn1cc(C(=O)N2CCC3(CCOC[C@H]3COCC3CC3)CC2)cn1 ZINC000096106521 203833868 /nfs/dbraw/zinc/83/38/68/203833868.db2.gz OWRGQHBLHBQDQV-KRWDZBQOSA-N 0 0 347.459 2.106 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 ZINC000096061465 203816014 /nfs/dbraw/zinc/81/60/14/203816014.db2.gz XTAJBUOQBJFCMX-MRXNPFEDSA-N 0 0 339.395 2.262 40 0 EEABRN CCCCNC(=O)N1CCc2nc(NC(C)C)nc(N(C)C)c2C1 ZINC000096254061 203884785 /nfs/dbraw/zinc/88/47/85/203884785.db2.gz AXCCAAYXANIIKA-UHFFFAOYSA-N 0 0 334.468 2.231 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108525668 204265990 /nfs/dbraw/zinc/26/59/90/204265990.db2.gz AYTBJDOXGCSYCJ-WBVHZDCISA-N 0 0 348.487 2.300 40 0 EEABRN Cc1cc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)sc1C ZINC000044818283 204307286 /nfs/dbraw/zinc/30/72/86/204307286.db2.gz QDFLWIOFHNLXHK-QGZVFWFLSA-N 0 0 343.408 2.477 40 0 EEABRN Cc1nc(COc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000044894185 204309073 /nfs/dbraw/zinc/30/90/73/204309073.db2.gz CTSPOGNXJZPJKX-TXEJJXNPSA-N 0 0 331.372 2.206 40 0 EEABRN Cc1noc(C)c1CS(=O)(=O)CC(=O)N[C@@H](C)CCC(C)C ZINC000046106891 204335125 /nfs/dbraw/zinc/33/51/25/204335125.db2.gz BIVLIEGAADCGIO-NSHDSACASA-N 0 0 330.450 2.147 40 0 EEABRN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000190933793 284299484 /nfs/dbraw/zinc/29/94/84/284299484.db2.gz SQOOLNWELOWOKU-UONOGXRCSA-N 0 0 343.431 2.099 40 0 EEABRN COC(=O)c1cccc(NC2CCN(C(=O)c3cnns3)CC2)c1 ZINC000135017982 205438481 /nfs/dbraw/zinc/43/84/81/205438481.db2.gz GXTVWAFCXXESOO-UHFFFAOYSA-N 0 0 346.412 2.041 40 0 EEABRN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2C)C1 ZINC000000905156 205558938 /nfs/dbraw/zinc/55/89/38/205558938.db2.gz QZJOUFGBFZOQJO-GFCCVEGCSA-N 0 0 331.445 2.228 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096058067 296263731 /nfs/dbraw/zinc/26/37/31/296263731.db2.gz VTMVEVJXZYGXHY-ARFHVFGLSA-N 0 0 343.358 2.067 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000008218540 206527486 /nfs/dbraw/zinc/52/74/86/206527486.db2.gz DYPRUORMJWROBY-JTQLQIEISA-N 0 0 330.837 2.066 40 0 EEABRN CN(C)c1cccc(CNC(=O)NC[C@H]2OCCc3sccc32)n1 ZINC000095437608 218379973 /nfs/dbraw/zinc/37/99/73/218379973.db2.gz PBVPLVGWPQLGRB-CQSZACIVSA-N 0 0 346.456 2.322 40 0 EEABRN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000095448979 218392973 /nfs/dbraw/zinc/39/29/73/218392973.db2.gz CAJNHGNHKKABEH-GUYCJALGSA-N 0 0 332.444 2.409 40 0 EEABRN COc1cccc(NC(=O)NC[C@@]2(OC)CCSC2)c1OC ZINC000096097780 218590852 /nfs/dbraw/zinc/59/08/52/218590852.db2.gz YKQZBVVLYMHGIB-HNNXBMFYSA-N 0 0 326.418 2.347 40 0 EEABRN CC(C)c1ocnc1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414549 218772568 /nfs/dbraw/zinc/77/25/68/218772568.db2.gz NWXFYQRBBJWDDQ-UHFFFAOYSA-N 0 0 343.309 2.449 40 0 EEABRN COc1ccc(-c2nc(CNC(=O)c3c(C)nn(C)c3C)no2)cc1 ZINC000096462523 218845033 /nfs/dbraw/zinc/84/50/33/218845033.db2.gz WOBWPPBCLUCCRG-UHFFFAOYSA-N 0 0 341.371 2.026 40 0 EEABRN COc1ccc(Br)c(CC(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000096481535 218857121 /nfs/dbraw/zinc/85/71/21/218857121.db2.gz NWORLDMWVBPUES-YGRLFVJLSA-N 0 0 342.233 2.277 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1cccc(F)c1 ZINC000096518165 218881729 /nfs/dbraw/zinc/88/17/29/218881729.db2.gz USYYWYMBICDGSR-SECBINFHSA-N 0 0 329.574 2.341 40 0 EEABRN Cn1c(CN2CCN(CC(F)(F)F)CC2(C)C)nnc1C1CC1 ZINC000096492527 218870312 /nfs/dbraw/zinc/87/03/12/218870312.db2.gz HIHCVQXWDDMKBW-UHFFFAOYSA-N 0 0 331.386 2.151 40 0 EEABRN CSC[C@@H]1CCCN1C(=O)c1c[nH]c(C)c(Br)c1=O ZINC000096500655 218876848 /nfs/dbraw/zinc/87/68/48/218876848.db2.gz MDUOJDYTZUYDBG-VIFPVBQESA-N 0 0 345.262 2.413 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N1CCC(n2ccnc2)CC1 ZINC000187490542 533143319 /nfs/dbraw/zinc/14/33/19/533143319.db2.gz DKJFANPGNOLAKP-ZDUSSCGKSA-N 0 0 329.404 2.394 40 0 EEABRN COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000113875757 220602308 /nfs/dbraw/zinc/60/23/08/220602308.db2.gz SUMCMRDAUNMOFS-UHFFFAOYSA-N 0 0 341.335 2.333 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2cccnc2OC)nc(C)n1 ZINC000257228537 257916359 /nfs/dbraw/zinc/91/63/59/257916359.db2.gz FUFKKAXPHVKPNH-CQSZACIVSA-N 0 0 327.388 2.208 40 0 EEABRN O=C(N1CC2(C1)C[C@H](OCc1ccccn1)CS2)N1CCCC1 ZINC000306134253 257921394 /nfs/dbraw/zinc/92/13/94/257921394.db2.gz NHBHWHWAPHKYSJ-HNNXBMFYSA-N 0 0 333.457 2.374 40 0 EEABRN CN1C[C@H]2N(C(=O)c3ccno3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306141880 257924822 /nfs/dbraw/zinc/92/48/22/257924822.db2.gz WIYLBMPVAMXKTN-APWZRJJASA-N 0 0 339.395 2.079 40 0 EEABRN O=C(c1ccccc1)N1C[C@@]2(F)C(=O)N(c3ccccn3)C[C@@]2(F)C1 ZINC000306144381 257926174 /nfs/dbraw/zinc/92/61/74/257926174.db2.gz ZDRZJXGCUVVZLF-ZWKOTPCHSA-N 0 0 343.333 2.001 40 0 EEABRN CS(=O)(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1 ZINC000044204525 132414968 /nfs/dbraw/zinc/41/49/68/132414968.db2.gz BNZWMIQARQLLMK-UHFFFAOYSA-N 0 0 345.420 2.448 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)C[C@@H](C)O1 ZINC000040774673 296887092 /nfs/dbraw/zinc/88/70/92/296887092.db2.gz CRFWIFAULXOPPC-QFSBIZTOSA-N 0 0 334.441 2.150 40 0 EEABRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)c1ccno1)C2 ZINC000096069237 274781398 /nfs/dbraw/zinc/78/13/98/274781398.db2.gz QKUMQZJOISMYDI-UHFFFAOYSA-N 0 0 349.394 2.436 40 0 EEABRN Cn1ccc(N2CCC[C@H](N3CCC=C(c4cccnc4)C3)C2=O)n1 ZINC000289439939 275115985 /nfs/dbraw/zinc/11/59/85/275115985.db2.gz WLOIGDMZEDFVFO-KRWDZBQOSA-N 0 0 337.427 2.100 40 0 EEABRN CCOC(=O)[C@H]1CCCN(c2nc(CC)nc3c(C)nn(CC)c32)C1 ZINC000072243035 276440648 /nfs/dbraw/zinc/44/06/48/276440648.db2.gz MRBFJCIWVPJKRG-ZDUSSCGKSA-N 0 0 345.447 2.497 40 0 EEABRN CC(C)(C)OC(=O)NC1CC[NH+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000095627607 277197255 /nfs/dbraw/zinc/19/72/55/277197255.db2.gz GLSNAIAFLOZBEC-CQSZACIVSA-N 0 0 335.404 2.196 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](C)CC2)cc1 ZINC000192160130 278202478 /nfs/dbraw/zinc/20/24/78/278202478.db2.gz ZVVAJOASDHQQOQ-NSHDSACASA-N 0 0 328.459 2.161 40 0 EEABRN Cc1cnc(N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107228135 279015090 /nfs/dbraw/zinc/01/50/90/279015090.db2.gz SGFDXJALMWZTFJ-SJLPKXTDSA-N 0 0 326.400 2.387 40 0 EEABRN Cc1nc(CN2CCC[C@]3(C2)CN(c2ncccn2)CCO3)cs1 ZINC000096074920 279083561 /nfs/dbraw/zinc/08/35/61/279083561.db2.gz NSUKLVMOCFAWRC-KRWDZBQOSA-N 0 0 345.472 2.113 40 0 EEABRN O=S1(=O)C[C@H]2NC(=S)N(c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000040166952 280352038 /nfs/dbraw/zinc/35/20/38/280352038.db2.gz XKWDNDYXGGAFIJ-HZPDHXFCSA-N 0 0 344.461 2.214 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000253479510 281496700 /nfs/dbraw/zinc/49/67/00/281496700.db2.gz QUAVJJHXBGBBRO-CQSZACIVSA-N 0 0 328.368 2.436 40 0 EEABRN Cc1ccccc1[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)CCS1 ZINC000219284555 292694366 /nfs/dbraw/zinc/69/43/66/292694366.db2.gz YAPGKLODUPGVMF-OAHLLOKOSA-N 0 0 346.452 2.151 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107557 293668626 /nfs/dbraw/zinc/66/86/26/293668626.db2.gz IZADDSBLBASRSO-KSSFIOAISA-N 0 0 343.383 2.221 40 0 EEABRN CS(=O)(=O)C1=C(N)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000020506767 295478294 /nfs/dbraw/zinc/47/82/94/295478294.db2.gz UYLQKJDSXFIUIO-HNNXBMFYSA-N 0 0 346.383 2.129 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)N(C)CC(F)(F)F ZINC000253629967 298187971 /nfs/dbraw/zinc/18/79/71/298187971.db2.gz FKXRKKWJNTZQJI-KWCYVHTRSA-N 0 0 345.365 2.301 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)c2ccccc2N2CCOCC2)n1 ZINC000064334667 301239411 /nfs/dbraw/zinc/23/94/11/301239411.db2.gz NZLLOEYSOYVKJP-UHFFFAOYSA-N 0 0 342.443 2.157 40 0 EEABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(N)=O)cc3C[C@H]2C)cc1 ZINC000010326380 301687343 /nfs/dbraw/zinc/68/73/43/301687343.db2.gz GNHMDBXHNRGCSF-GFCCVEGCSA-N 0 0 330.409 2.234 40 0 EEABRN Cc1cccn2cc(C(=O)N3CCC[C@]4(C)NC(=O)CCC[C@H]34)nc12 ZINC000257330771 302230159 /nfs/dbraw/zinc/23/01/59/302230159.db2.gz XPXQHGHCFXCBSS-KXBFYZLASA-N 0 0 340.427 2.306 40 0 EEABRN O=c1ccc(-c2ccc(F)cc2)nn1Cc1nnc2n1CCCCC2 ZINC000329341429 311667892 /nfs/dbraw/zinc/66/78/92/311667892.db2.gz OZCJSJGMQGKEQH-UHFFFAOYSA-N 0 0 339.374 2.416 40 0 EEABRN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000331532832 311867823 /nfs/dbraw/zinc/86/78/23/311867823.db2.gz SOGIUDFXLFJLCN-LYRGGWFBSA-N 0 0 336.480 2.404 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H](O)[C@H]3C)cn2)n1 ZINC000332413372 312003608 /nfs/dbraw/zinc/00/36/08/312003608.db2.gz SMVJHOIFEMUNHW-UKRRQHHQSA-N 0 0 329.404 2.261 40 0 EEABRN COc1ccnc(CC(=O)N2CCc3nc(C(C)C)ncc3C2)c1 ZINC000527628677 317233783 /nfs/dbraw/zinc/23/37/83/317233783.db2.gz PGWDGILOWBRSLF-UHFFFAOYSA-N 0 0 326.400 2.131 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@](C)(O)Cc2ccccc2)C1 ZINC000073761536 323319535 /nfs/dbraw/zinc/31/95/35/323319535.db2.gz GSRDVYVZWDSVQB-FUHIMQAGSA-N 0 0 346.471 2.180 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ncccn1 ZINC000192107662 323477364 /nfs/dbraw/zinc/47/73/64/323477364.db2.gz MBZUYWUKFIBBCX-OAHLLOKOSA-N 0 0 326.400 2.397 40 0 EEABRN C[C@@H](c1cccnc1)N(C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000195561931 323514259 /nfs/dbraw/zinc/51/42/59/323514259.db2.gz PXYGLLDBIFEONS-YOEHRIQHSA-N 0 0 348.472 2.005 40 0 EEABRN COCC1(O)CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000581984986 324353740 /nfs/dbraw/zinc/35/37/40/324353740.db2.gz HCPMYDJBXWDZOX-UHFFFAOYSA-N 0 0 332.787 2.235 40 0 EEABRN CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1ccccc1O)CS2 ZINC000085473875 462550468 /nfs/dbraw/zinc/55/04/68/462550468.db2.gz SYTMDHYTOXQIPH-LLVKDONJSA-N 0 0 345.424 2.180 40 0 EEABRN O=C(Cn1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)cn1)NC1CCCC1 ZINC000061564631 462588301 /nfs/dbraw/zinc/58/83/01/462588301.db2.gz FBRALUSQQWUSCG-ZENOOKHLSA-N 0 0 330.432 2.317 40 0 EEABRN CC(C)NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113966407 462618514 /nfs/dbraw/zinc/61/85/14/462618514.db2.gz NEUMUKFEGQDHHM-UHFFFAOYSA-N 0 0 334.388 2.036 40 0 EEABRN CC(C)CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113966017 462618808 /nfs/dbraw/zinc/61/88/08/462618808.db2.gz UUQDOIDWENWQCU-UHFFFAOYSA-N 0 0 330.425 2.144 40 0 EEABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1N ZINC000003486523 462620672 /nfs/dbraw/zinc/62/06/72/462620672.db2.gz HEDWJDMBJNQQAV-UHFFFAOYSA-N 0 0 332.216 2.338 40 0 EEABRN Cc1ccc(C(=O)NCCCCNC(=O)c2ccc(C)nc2)cn1 ZINC000004510872 462632390 /nfs/dbraw/zinc/63/23/90/462632390.db2.gz RUDBGYJLFNDYCZ-UHFFFAOYSA-N 0 0 326.400 2.033 40 0 EEABRN Nc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000004944765 462641085 /nfs/dbraw/zinc/64/10/85/462641085.db2.gz YAUIFKIMCSUTNV-ZCFIWIBFSA-N 0 0 325.155 2.133 40 0 EEABRN O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC1CC1 ZINC000004905830 462641468 /nfs/dbraw/zinc/64/14/68/462641468.db2.gz NZZOWSNZKLQXQH-UHFFFAOYSA-N 0 0 340.455 2.223 40 0 EEABRN Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H](O)[C@H](O)CO)cc1C ZINC000004990538 462643030 /nfs/dbraw/zinc/64/30/30/462643030.db2.gz ZWYPGCWCMYGGJT-HLAWJBBLSA-N 0 0 344.451 2.127 40 0 EEABRN CCn1nc(C)cc1NC(=O)c1cc(NC(=O)c2ccco2)n(C)n1 ZINC000046088966 462645492 /nfs/dbraw/zinc/64/54/92/462645492.db2.gz VQRGFMYKJLJDRI-UHFFFAOYSA-N 0 0 342.359 2.043 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000006441127 462687299 /nfs/dbraw/zinc/68/72/99/462687299.db2.gz QSYUTMDKSZARPF-KRWDZBQOSA-N 0 0 342.395 2.389 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C)cc1 ZINC000006880217 462710280 /nfs/dbraw/zinc/71/02/80/462710280.db2.gz ULDFBGFXRTYEGG-UHFFFAOYSA-N 0 0 326.462 2.222 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000006934240 462712582 /nfs/dbraw/zinc/71/25/82/462712582.db2.gz PAYKRTLQEDFXFH-ZFWWWQNUSA-N 0 0 326.462 2.213 40 0 EEABRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1O ZINC000006958577 462713947 /nfs/dbraw/zinc/71/39/47/462713947.db2.gz QQDSZHXAJABGQE-WEVVVXLNSA-N 0 0 341.161 2.076 40 0 EEABRN COc1ccccc1N1C[C@H](C(=O)Oc2ccc(C=O)cc2)CC1=O ZINC000007929003 462758413 /nfs/dbraw/zinc/75/84/13/462758413.db2.gz BQDRHIMAZZYPNY-CQSZACIVSA-N 0 0 339.347 2.466 40 0 EEABRN COc1ccccc1CC(=O)N[C@H](C)c1nc(-c2cccnc2)n[nH]1 ZINC000012114731 462844009 /nfs/dbraw/zinc/84/40/09/462844009.db2.gz PWUMCSDIKQPSMM-GFCCVEGCSA-N 0 0 337.383 2.295 40 0 EEABRN C=COCCNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 ZINC000012116357 462844241 /nfs/dbraw/zinc/84/42/41/462844241.db2.gz MXUDCOFFCIKUKM-UHFFFAOYSA-N 0 0 328.416 2.066 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NC3[C@@H]4CCCC[C@H]34)cc2sc1=O ZINC000012241635 462848938 /nfs/dbraw/zinc/84/89/38/462848938.db2.gz RBPMKHVDKGOOTD-BVUQATHDSA-N 0 0 338.454 2.067 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCCOc2ccc(C)cc2)CC1 ZINC000048088919 462860226 /nfs/dbraw/zinc/86/02/26/462860226.db2.gz ULBUJCRCBMJKAY-UHFFFAOYSA-N 0 0 334.416 2.455 40 0 EEABRN CCN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585226 462896536 /nfs/dbraw/zinc/89/65/36/462896536.db2.gz RCVYKDDGRGIAIB-UHFFFAOYSA-N 0 0 348.424 2.074 40 0 EEABRN Cc1nn(C)c2nc(C)cc(C(=O)NCc3ccc4c(c3)OCO4)c12 ZINC000014815098 462932521 /nfs/dbraw/zinc/93/25/21/462932521.db2.gz VAFWPTAXTSHUBZ-UHFFFAOYSA-N 0 0 338.367 2.244 40 0 EEABRN CCCCOCCOCCOC[C@H](O)COCCOCCCC ZINC000016639097 462985581 /nfs/dbraw/zinc/98/55/81/462985581.db2.gz WNJHBNZPGLTFHO-QGZVFWFLSA-N 0 0 336.469 2.031 40 0 EEABRN Cc1cc2c(cc1Br)C(=O)[C@](CN(C)C)(N(C)C)CO2 ZINC000019203068 463015714 /nfs/dbraw/zinc/01/57/14/463015714.db2.gz DOOSBXKIUWHHJZ-OAHLLOKOSA-N 0 0 341.249 2.195 40 0 EEABRN CC(=O)N1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 ZINC000019704422 463020313 /nfs/dbraw/zinc/02/03/13/463020313.db2.gz SLDLITLQJJFBQJ-ZDUSSCGKSA-N 0 0 336.399 2.301 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)C1CCCC1 ZINC000019746349 463020991 /nfs/dbraw/zinc/02/09/91/463020991.db2.gz TYQCHIDFPBLZKM-QGZVFWFLSA-N 0 0 346.475 2.269 40 0 EEABRN COc1cccc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000020112068 463023547 /nfs/dbraw/zinc/02/35/47/463023547.db2.gz JLTNGWSVLWFSQQ-GFCCVEGCSA-N 0 0 326.352 2.448 40 0 EEABRN O=S(=O)(N[C@@H]1CCCN(c2ccccn2)C1)c1cccc(F)c1 ZINC000078515396 463123331 /nfs/dbraw/zinc/12/33/31/463123331.db2.gz QBIVJEIXUCVNIL-CQSZACIVSA-N 0 0 335.404 2.168 40 0 EEABRN CCOC(=O)CN(C)C(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000078620700 463134514 /nfs/dbraw/zinc/13/45/14/463134514.db2.gz SFNQGLNJOHBWNN-UHFFFAOYSA-N 0 0 341.411 2.470 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000135275485 463136397 /nfs/dbraw/zinc/13/63/97/463136397.db2.gz HRECCJHMEBUCKC-BBRMVZONSA-N 0 0 338.423 2.285 40 0 EEABRN CCOC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096039378 463143899 /nfs/dbraw/zinc/14/38/99/463143899.db2.gz AVCIAQVXNXAGOR-SJORKVTESA-N 0 0 339.457 2.283 40 0 EEABRN CN(C)C(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC000096040141 463144885 /nfs/dbraw/zinc/14/48/85/463144885.db2.gz LXFSTGCCVDJKHY-FUHWJXTLSA-N 0 0 333.432 2.151 40 0 EEABRN C[C@@H](c1ccccc1F)N(C)C(=O)COc1ccc(CC(N)=O)cc1 ZINC000068521612 463146694 /nfs/dbraw/zinc/14/66/94/463146694.db2.gz IHYLDIVHJLXNSZ-ZDUSSCGKSA-N 0 0 344.386 2.452 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096044700 463149005 /nfs/dbraw/zinc/14/90/05/463149005.db2.gz LNIBCXNWZUVPSL-AWEZNQCLSA-N 0 0 347.390 2.437 40 0 EEABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)cn1 ZINC000078774742 463149256 /nfs/dbraw/zinc/14/92/56/463149256.db2.gz YXQOZVONTQIJGA-ZDUSSCGKSA-N 0 0 328.372 2.256 40 0 EEABRN CN(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)n1 ZINC000096046383 463150610 /nfs/dbraw/zinc/15/06/10/463150610.db2.gz ACRSYRFJFIACJH-AEGPPILISA-N 0 0 345.472 2.351 40 0 EEABRN CC(C)c1csc(NC(=O)CCn2nc3ccccn3c2=O)n1 ZINC000078875775 463159124 /nfs/dbraw/zinc/15/91/24/463159124.db2.gz KNWFRKWCUKFATA-UHFFFAOYSA-N 0 0 331.401 2.105 40 0 EEABRN c1csc(CNC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)n1 ZINC000096059765 463160312 /nfs/dbraw/zinc/16/03/12/463160312.db2.gz ZRFDEFCAKLIQHY-HNNXBMFYSA-N 0 0 348.472 2.170 40 0 EEABRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(Cc1ccoc1)C2 ZINC000096060727 463160933 /nfs/dbraw/zinc/16/09/33/463160933.db2.gz YJEYEZIFGYSKKI-INIZCTEOSA-N 0 0 339.399 2.119 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)Nc3cccc(F)c3)CC2)O1 ZINC000096061148 463161048 /nfs/dbraw/zinc/16/10/48/463161048.db2.gz CTZJLNXYUGGWRB-HNNXBMFYSA-N 0 0 349.406 2.459 40 0 EEABRN O=C(CC1CC1)N[C@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1 ZINC000096067703 463164827 /nfs/dbraw/zinc/16/48/27/463164827.db2.gz JGRLUPQEMYZTAU-KRWDZBQOSA-N 0 0 337.423 2.065 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)[C@@H]2C1 ZINC000096080598 463168423 /nfs/dbraw/zinc/16/84/23/463168423.db2.gz QHZHXNQCPHYTGO-SMDDNHRTSA-N 0 0 328.397 2.131 40 0 EEABRN COC(=O)c1coc(Cn2c(CS(C)(=O)=O)nc3ccccc32)c1 ZINC000078979150 463174114 /nfs/dbraw/zinc/17/41/14/463174114.db2.gz NJVPAAVTSSJTNL-UHFFFAOYSA-N 0 0 348.380 2.009 40 0 EEABRN CCOC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2nnn(C)c21 ZINC000096111091 463179662 /nfs/dbraw/zinc/17/96/62/463179662.db2.gz SBTXFOHVSWINAX-NNNHXZLVSA-N 0 0 332.429 2.052 40 0 EEABRN CC[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038596 463181885 /nfs/dbraw/zinc/18/18/85/463181885.db2.gz IQPFOKVYXLBAFD-JOYOIKCWSA-N 0 0 348.262 2.450 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000079098633 463188817 /nfs/dbraw/zinc/18/88/17/463188817.db2.gz YYBTWEHUPZMQID-CRAIPNDOSA-N 0 0 327.432 2.430 40 0 EEABRN O=C([C@@H]1CCCO1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCc1cccnc1 ZINC000096183032 463194376 /nfs/dbraw/zinc/19/43/76/463194376.db2.gz ZWBRGXBFKZQMJD-OWSLCNJRSA-N 0 0 330.428 2.404 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185070 463196270 /nfs/dbraw/zinc/19/62/70/463196270.db2.gz SZYLESCCHYZZDH-BBWFWOEESA-N 0 0 344.436 2.128 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)o1 ZINC000096186352 463197575 /nfs/dbraw/zinc/19/75/75/463197575.db2.gz GSZWFWHWFIQGJH-HOTGVXAUSA-N 0 0 339.395 2.389 40 0 EEABRN C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)Cc1cccs1 ZINC000096201263 463205380 /nfs/dbraw/zinc/20/53/80/463205380.db2.gz IHRLHNHJZVAGQG-ZDUSSCGKSA-N 0 0 341.440 2.335 40 0 EEABRN C[C@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000079330887 463207373 /nfs/dbraw/zinc/20/73/73/463207373.db2.gz VDOQBGTZKZWYOY-VIFPVBQESA-N 0 0 342.189 2.081 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000079352906 463208127 /nfs/dbraw/zinc/20/81/27/463208127.db2.gz KHDGALARSOGWFB-HNNXBMFYSA-N 0 0 339.443 2.062 40 0 EEABRN O=C([O-])C[N@H+](C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391611 463210643 /nfs/dbraw/zinc/21/06/43/463210643.db2.gz YCHVIKYYOUHNDJ-INIZCTEOSA-N 0 0 332.400 2.337 40 0 EEABRN CCOCC(=O)N1CC[C@@]2(C1)CCC[C@@H](CNc1ccccn1)O2 ZINC000096209593 463213825 /nfs/dbraw/zinc/21/38/25/463213825.db2.gz JUEAWXBBOJNRLM-MAUKXSAKSA-N 0 0 333.432 2.070 40 0 EEABRN O=C(C1=CCCC1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 ZINC000096209764 463214057 /nfs/dbraw/zinc/21/40/57/463214057.db2.gz IVFSHURNEYJQPU-OAHLLOKOSA-N 0 0 328.416 2.309 40 0 EEABRN CC(C)C(=O)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 ZINC000096219819 463218102 /nfs/dbraw/zinc/21/81/02/463218102.db2.gz ODPIGMVHTSCNNP-CYBMUJFWSA-N 0 0 327.388 2.171 40 0 EEABRN Cc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2n1 ZINC000028223413 463219447 /nfs/dbraw/zinc/21/94/47/463219447.db2.gz VJTCNFBKEBQHCV-ZDUSSCGKSA-N 0 0 347.440 2.153 40 0 EEABRN O=C(N1CCCC1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238793 463224539 /nfs/dbraw/zinc/22/45/39/463224539.db2.gz WTEQTNNXBUDZAQ-SFHVURJKSA-N 0 0 331.391 2.470 40 0 EEABRN O=S(=O)(C1CC1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255301 463228717 /nfs/dbraw/zinc/22/87/17/463228717.db2.gz QMDVORKHEKDDGQ-UHFFFAOYSA-N 0 0 347.415 2.176 40 0 EEABRN Cc1cc(S(N)(=O)=O)c(Br)cc1Br ZINC000054362944 463229672 /nfs/dbraw/zinc/22/96/72/463229672.db2.gz RSCFDFQUCVUBLA-UHFFFAOYSA-N 0 0 329.013 2.167 40 0 EEABRN COc1ccccc1CC(=O)N1CCC(Nc2nccc(C)n2)CC1 ZINC000096412870 463244646 /nfs/dbraw/zinc/24/46/46/463244646.db2.gz WAQJCQOFDMVVDC-UHFFFAOYSA-N 0 0 340.427 2.439 40 0 EEABRN CSC[C@](C)(O)CNC(=O)c1ccc(F)cc1Br ZINC000096414685 463247480 /nfs/dbraw/zinc/24/74/80/463247480.db2.gz DIRRWBMYEHGNJC-GFCCVEGCSA-N 0 0 336.226 2.432 40 0 EEABRN Cc1ccc(C(=O)N2CCN(CCOC[C@@H]3CCCO3)CC2)s1 ZINC000096421077 463251655 /nfs/dbraw/zinc/25/16/55/463251655.db2.gz VSHISNBFCHQOPQ-HNNXBMFYSA-N 0 0 338.473 2.010 40 0 EEABRN Cc1cc(CNC(=O)CCN2C(=O)CCc3cc(F)ccc32)no1 ZINC000096422310 463253196 /nfs/dbraw/zinc/25/31/96/463253196.db2.gz MHYKMDGNKVKOSP-UHFFFAOYSA-N 0 0 331.347 2.108 40 0 EEABRN CCCc1nc(CNc2ccccc2C(=O)N2CCC[C@@H]2CO)no1 ZINC000096427529 463256604 /nfs/dbraw/zinc/25/66/04/463256604.db2.gz KGVCTHBQJLCOLI-CYBMUJFWSA-N 0 0 344.415 2.231 40 0 EEABRN CN(Cc1ccccn1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096427152 463256738 /nfs/dbraw/zinc/25/67/38/463256738.db2.gz AZORNWXKBZQASU-LJQANCHMSA-N 0 0 339.439 2.331 40 0 EEABRN CCc1noc(CN(C)C(=O)c2c[nH]nc2-c2ccc(OC)cc2)n1 ZINC000096427193 463256754 /nfs/dbraw/zinc/25/67/54/463256754.db2.gz QTCRINCJZBKBGV-UHFFFAOYSA-N 0 0 341.371 2.303 40 0 EEABRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1nnc2n1CCC2 ZINC000096430638 463259967 /nfs/dbraw/zinc/25/99/67/463259967.db2.gz BSEVPOUNXUFQEF-ZNMIVQPWSA-N 0 0 334.464 2.257 40 0 EEABRN Cc1ccc(O[C@H](C)CNC(=O)c2ccnc(-n3cncn3)c2)cc1 ZINC000096431399 463260953 /nfs/dbraw/zinc/26/09/53/463260953.db2.gz QNHWAYPXNGPAHW-CQSZACIVSA-N 0 0 337.383 2.168 40 0 EEABRN O=C(/C=C/c1cccnc1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000096432149 463261157 /nfs/dbraw/zinc/26/11/57/463261157.db2.gz KOKCLTXUYBDTRP-ZNGIMCQPSA-N 0 0 347.418 2.368 40 0 EEABRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(=O)[nH]n2)cc1 ZINC000096431934 463261464 /nfs/dbraw/zinc/26/14/64/463261464.db2.gz VPMJNLOXSWJGFO-INIZCTEOSA-N 0 0 341.411 2.355 40 0 EEABRN C[C@@H](C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000096432206 463261517 /nfs/dbraw/zinc/26/15/17/463261517.db2.gz HBBIAQINGHQHIL-MNOVXSKESA-N 0 0 339.442 2.046 40 0 EEABRN CCc1cc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n[nH]1 ZINC000096436237 463263205 /nfs/dbraw/zinc/26/32/05/463263205.db2.gz DSRRXTIPHVDUHC-INIZCTEOSA-N 0 0 328.416 2.202 40 0 EEABRN CN(C)c1ccccc1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000096441430 463267561 /nfs/dbraw/zinc/26/75/61/463267561.db2.gz SYQODRXSIYEGNM-CQSZACIVSA-N 0 0 329.366 2.348 40 0 EEABRN C[C@H](NC(=O)Nc1cccn(C)c1=O)c1cccc(-n2cccn2)c1 ZINC000096444536 463269747 /nfs/dbraw/zinc/26/97/47/463269747.db2.gz LCXCJUTXNFCJOD-ZDUSSCGKSA-N 0 0 337.383 2.454 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000096450141 463271950 /nfs/dbraw/zinc/27/19/50/463271950.db2.gz YAYRLECOJLRNMT-UHFFFAOYSA-N 0 0 349.822 2.081 40 0 EEABRN O=C(c1ccc(Cl)cn1)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000096449844 463272103 /nfs/dbraw/zinc/27/21/03/463272103.db2.gz CXJBRGWNZNZXCO-UHFFFAOYSA-N 0 0 338.198 2.141 40 0 EEABRN COc1c(C)cnc(CN2CCN(c3nc(C)ns3)CC2)c1C ZINC000096452031 463272713 /nfs/dbraw/zinc/27/27/13/463272713.db2.gz QNYDGGWUDAMYRR-UHFFFAOYSA-N 0 0 333.461 2.189 40 0 EEABRN O=C(NCCCNC(=O)C1CCC1)N[C@@H](c1nccs1)C1CC1 ZINC000096452375 463273214 /nfs/dbraw/zinc/27/32/14/463273214.db2.gz PQGSCYMNAOOGQG-CYBMUJFWSA-N 0 0 336.461 2.200 40 0 EEABRN Cc1ccccc1CN(C)C(=O)CNc1cc(C(N)=O)ccc1C ZINC000096453467 463273928 /nfs/dbraw/zinc/27/39/28/463273928.db2.gz JQMMANKWNFTCTH-UHFFFAOYSA-N 0 0 325.412 2.473 40 0 EEABRN Cc1ncc(CNC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)s1 ZINC000096455023 463275513 /nfs/dbraw/zinc/27/55/13/463275513.db2.gz FBLQBVMCGLGJMG-VIFPVBQESA-N 0 0 336.383 2.230 40 0 EEABRN CC(C)CO[C@H]1CCN(C(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000096468949 463278062 /nfs/dbraw/zinc/27/80/62/463278062.db2.gz KXSXXHVZNGJUHR-NPMXOYFQSA-N 0 0 338.473 2.381 40 0 EEABRN CC[C@@H](NC(=O)c1ccon1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473756 463278735 /nfs/dbraw/zinc/27/87/35/463278735.db2.gz QPHFFTPNXJWKDF-NVXWUHKLSA-N 0 0 329.400 2.084 40 0 EEABRN Cc1cccc(-n2nnnc2SCCCNC(=O)C(F)(F)F)c1 ZINC000096475786 463279954 /nfs/dbraw/zinc/27/99/54/463279954.db2.gz PLTMLGYOJNRCCM-UHFFFAOYSA-N 0 0 345.350 2.131 40 0 EEABRN CC1(C)CN=C(N2CCN(C(=O)CCCn3cccc3)CC2)S1 ZINC000096484084 463282259 /nfs/dbraw/zinc/28/22/59/463282259.db2.gz ORONDQVZCICMST-UHFFFAOYSA-N 0 0 334.489 2.294 40 0 EEABRN C[C@@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000096484003 463282594 /nfs/dbraw/zinc/28/25/94/463282594.db2.gz MKYQNBVHPCBYRC-ZDUSSCGKSA-N 0 0 337.851 2.344 40 0 EEABRN CC(C)(C)n1cc(NC(=O)N2CCN(c3nccs3)CC2)cn1 ZINC000096485734 463283738 /nfs/dbraw/zinc/28/37/38/463283738.db2.gz OHVAWOHFZRLBTL-UHFFFAOYSA-N 0 0 334.449 2.449 40 0 EEABRN C[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCN1CC(F)(F)F ZINC000096485909 463283959 /nfs/dbraw/zinc/28/39/59/463283959.db2.gz FVQWCCVWQAAVJC-QWRGUYRKSA-N 0 0 325.400 2.160 40 0 EEABRN CC(C)Cc1cc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc(=O)[nH]1 ZINC000096495184 463288597 /nfs/dbraw/zinc/28/85/97/463288597.db2.gz OFVUSMZYRGWHFL-MRXNPFEDSA-N 0 0 342.443 2.457 40 0 EEABRN CCCNC(=O)CNC(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000096495599 463289339 /nfs/dbraw/zinc/28/93/39/463289339.db2.gz SMXJOXKVACKSQK-UHFFFAOYSA-N 0 0 349.822 2.482 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000097095122 463321629 /nfs/dbraw/zinc/32/16/29/463321629.db2.gz CSLNQFXSACQXKA-IUODEOHRSA-N 0 0 349.406 2.031 40 0 EEABRN CSc1cncc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000097095866 463321934 /nfs/dbraw/zinc/32/19/34/463321934.db2.gz MGRSGWKWLGWJAD-UHFFFAOYSA-N 0 0 332.404 2.300 40 0 EEABRN O=C(NCCc1cccc(F)c1)N1CCN(Cc2ccccn2)CC1 ZINC000097096493 463322420 /nfs/dbraw/zinc/32/24/20/463322420.db2.gz OPSMZGRTXBAUDS-UHFFFAOYSA-N 0 0 342.418 2.291 40 0 EEABRN COC(=O)[C@@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)c1ccccc1F ZINC000097372498 463355689 /nfs/dbraw/zinc/35/56/89/463355689.db2.gz MBSIYRBJMPGVFV-PSLIRLAXSA-N 0 0 333.363 2.300 40 0 EEABRN CC(=O)c1csc(NC(=O)C[C@H]2c3ccccc3N(C)C2=O)n1 ZINC000100758893 463374510 /nfs/dbraw/zinc/37/45/10/463374510.db2.gz TXFNUHZDLLBZHS-NSHDSACASA-N 0 0 329.381 2.435 40 0 EEABRN CCCCOC(=O)c1ccc(Sc2nnc(CC)n2N)c(N)c1 ZINC000070462365 463376311 /nfs/dbraw/zinc/37/63/11/463376311.db2.gz VVDVBKOYZOGOBJ-UHFFFAOYSA-N 0 0 335.433 2.245 40 0 EEABRN COc1cc(-c2nnc(-c3cc(N)cc(N)c3)[nH]2)cc(OC)c1OC ZINC000040169647 463453756 /nfs/dbraw/zinc/45/37/56/463453756.db2.gz BMJYYUITCRXFHB-UHFFFAOYSA-N 0 0 341.371 2.329 40 0 EEABRN O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040386572 463454017 /nfs/dbraw/zinc/45/40/17/463454017.db2.gz BBCCCKGVCKWUOX-ZETCQYMHSA-N 0 0 340.170 2.182 40 0 EEABRN Cc1nn(CCC(=O)NCc2c(C)nn(C)c2C)c2ccccc12 ZINC000057279985 463474568 /nfs/dbraw/zinc/47/45/68/463474568.db2.gz VDJLIOHMAPUIOU-UHFFFAOYSA-N 0 0 325.416 2.402 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cn1 ZINC000057355392 463480730 /nfs/dbraw/zinc/48/07/30/463480730.db2.gz XIBGJWQMFMHOFH-DOTOQJQBSA-N 0 0 326.400 2.451 40 0 EEABRN COc1cccc([C@H]2[C@@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)c1 ZINC000072227075 463484702 /nfs/dbraw/zinc/48/47/02/463484702.db2.gz VNQBYXOTYICALP-MSOLQXFVSA-N 0 0 342.395 2.123 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)Cc2n[nH]c3ccccc23)c(C)o1 ZINC000081817884 463497095 /nfs/dbraw/zinc/49/70/95/463497095.db2.gz BHGIXEAVHCWBLE-GOSISDBHSA-N 0 0 327.384 2.339 40 0 EEABRN O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)c1cccnc1 ZINC000072340404 463509111 /nfs/dbraw/zinc/50/91/11/463509111.db2.gz CULQLDSSYUBMNA-UHFFFAOYSA-N 0 0 344.378 2.159 40 0 EEABRN CCN(CC)C(=O)CCNC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000058165883 463547052 /nfs/dbraw/zinc/54/70/52/463547052.db2.gz JYUJIJDAROLQKH-OAHLLOKOSA-N 0 0 335.448 2.320 40 0 EEABRN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(-c3ccccc3)n1)CS2 ZINC000043054641 463615100 /nfs/dbraw/zinc/61/51/00/463615100.db2.gz WEWSXGPOEDFRLO-GUYCJALGSA-N 0 0 342.424 2.265 40 0 EEABRN CCN(C(=O)[C@@H](C)OC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000084779611 463631672 /nfs/dbraw/zinc/63/16/72/463631672.db2.gz DPFLNKXGUVIZTA-SECBINFHSA-N 0 0 339.335 2.368 40 0 EEABRN C[C@H](Sc1ccccn1)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000084921873 463637084 /nfs/dbraw/zinc/63/70/84/463637084.db2.gz GOYYBNLIBSNZBV-ZDUSSCGKSA-N 0 0 339.424 2.459 40 0 EEABRN C[C@H]1CCCCN1C(=O)CNc1ccccc1N1CCC(O)CC1 ZINC000059807122 463645719 /nfs/dbraw/zinc/64/57/19/463645719.db2.gz TVQWFRMBWQGDAX-HNNXBMFYSA-N 0 0 331.460 2.461 40 0 EEABRN O=c1[nH]c(CSc2n[nH]c(-c3ccccn3)n2)nc2ccccc21 ZINC000073742169 463651577 /nfs/dbraw/zinc/65/15/77/463651577.db2.gz GOHAGUPKUMCVKT-UHFFFAOYSA-N 0 0 336.380 2.396 40 0 EEABRN O=S(=O)(c1ccc(NC[C@@H](O)C(F)(F)F)cc1)C(F)(F)F ZINC000073771760 463654582 /nfs/dbraw/zinc/65/45/82/463654582.db2.gz HSFYAHGUQOVSOZ-MRVPVSSYSA-N 0 0 337.241 2.315 40 0 EEABRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccccc2N2CCOCC2)nc1 ZINC000043985012 463664598 /nfs/dbraw/zinc/66/45/98/463664598.db2.gz UTYVSDMKKJXMLL-WOJGMQOQSA-N 0 0 327.344 2.272 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 ZINC000044846571 463695376 /nfs/dbraw/zinc/69/53/76/463695376.db2.gz VTSOGECLORCRIY-CQSZACIVSA-N 0 0 334.416 2.317 40 0 EEABRN C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 ZINC000044869235 463696920 /nfs/dbraw/zinc/69/69/20/463696920.db2.gz BLUFBBCLDQFJTK-LLVKDONJSA-N 0 0 333.355 2.030 40 0 EEABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 ZINC000044899676 463700262 /nfs/dbraw/zinc/70/02/62/463700262.db2.gz OELWKRHBWBLIBP-LJQANCHMSA-N 0 0 342.439 2.446 40 0 EEABRN Cc1cc(C)nc(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)n1 ZINC000283043000 463744492 /nfs/dbraw/zinc/74/44/92/463744492.db2.gz NOVVJMSLQRHEHW-QGZVFWFLSA-N 0 0 339.443 2.021 40 0 EEABRN Cc1cccc(NC=c2sc3nc(-c4ccncc4)nn3c2=O)c1 ZINC000256055819 463755259 /nfs/dbraw/zinc/75/52/59/463755259.db2.gz VLFOMDZUVGDKRM-UVTDQMKNSA-N 0 0 335.392 2.090 40 0 EEABRN CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCN2C)cc1 ZINC000257280275 463760604 /nfs/dbraw/zinc/76/06/04/463760604.db2.gz OKGICFKPDMROEH-SFHVURJKSA-N 0 0 340.427 2.393 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257304217 463770726 /nfs/dbraw/zinc/77/07/26/463770726.db2.gz SKOLUWMBEAIHTP-CQSZACIVSA-N 0 0 341.371 2.353 40 0 EEABRN CCn1cc(CN2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)cn1 ZINC000257309429 463771883 /nfs/dbraw/zinc/77/18/83/463771883.db2.gz UAXACDTTWSEMCN-GOSISDBHSA-N 0 0 327.432 2.271 40 0 EEABRN CC(=O)N1CCN(C(=O)CCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000257318132 463775555 /nfs/dbraw/zinc/77/55/55/463775555.db2.gz VMPRQDUDHUGKSP-SFHVURJKSA-N 0 0 340.427 2.095 40 0 EEABRN O=C(CCc1cccs1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257321008 463775982 /nfs/dbraw/zinc/77/59/82/463775982.db2.gz VZRJPCWBFRHDKR-OAHLLOKOSA-N 0 0 331.441 2.331 40 0 EEABRN CN(C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)n1 ZINC000257319886 463776313 /nfs/dbraw/zinc/77/63/13/463776313.db2.gz VULHEQROPOYIIP-HNNXBMFYSA-N 0 0 328.416 2.159 40 0 EEABRN CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)[C@H]1O ZINC000257319260 463776812 /nfs/dbraw/zinc/77/68/12/463776812.db2.gz VROIXFDGYVEJKI-ZHALLVOQSA-N 0 0 345.443 2.122 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000257321418 463777071 /nfs/dbraw/zinc/77/70/71/463777071.db2.gz WBPGZDJIFGMIHR-QGZVFWFLSA-N 0 0 345.374 2.211 40 0 EEABRN CC(C)c1ccc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257327381 463779698 /nfs/dbraw/zinc/77/96/98/463779698.db2.gz XBCMBZXSMWLRAB-HKUYNNGSSA-N 0 0 332.444 2.364 40 0 EEABRN CN(C)c1nccnc1[C@@H]1CN(CCOc2ccc(F)cc2)CCO1 ZINC000257326807 463779901 /nfs/dbraw/zinc/77/99/01/463779901.db2.gz WYQYAPVIUZVJEQ-INIZCTEOSA-N 0 0 346.406 2.134 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)n1 ZINC000257333231 463783088 /nfs/dbraw/zinc/78/30/88/463783088.db2.gz YATHEZBMHJPMPD-HNNXBMFYSA-N 0 0 328.420 2.155 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)n1 ZINC000194076820 463786840 /nfs/dbraw/zinc/78/68/40/463786840.db2.gz NVQXDTJOTITVOM-TZMCWYRMSA-N 0 0 349.460 2.067 40 0 EEABRN O=C(Nc1ccc(OC(F)F)nc1)N1CCN(c2ccccn2)CC1 ZINC000283235895 463814827 /nfs/dbraw/zinc/81/48/27/463814827.db2.gz TWSSUTHAIREJKO-UHFFFAOYSA-N 0 0 349.341 2.432 40 0 EEABRN CCCC[C@@H](C(=O)OC)N1CCS(=O)(=O)c2ccccc2C1 ZINC000186558516 464020976 /nfs/dbraw/zinc/02/09/76/464020976.db2.gz GZGSMPYFBWRMKV-AWEZNQCLSA-N 0 0 325.430 2.008 40 0 EEABRN COc1ccc(NC(=O)[C@@H]2COCCN2)cc1Cc1ccccc1 ZINC000195543096 464073121 /nfs/dbraw/zinc/07/31/21/464073121.db2.gz AKIGQZGAJLLDNZ-KRWDZBQOSA-N 0 0 326.396 2.213 40 0 EEABRN C[C@@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)Cn1cccn1 ZINC000195574749 464080332 /nfs/dbraw/zinc/08/03/32/464080332.db2.gz SUSWDKJDFFXPGI-WFASDCNBSA-N 0 0 332.379 2.481 40 0 EEABRN COc1ccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1 ZINC000224299284 464150231 /nfs/dbraw/zinc/15/02/31/464150231.db2.gz SVOQEYQJSZEUSN-UHFFFAOYSA-N 0 0 342.399 2.191 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000225345021 464155368 /nfs/dbraw/zinc/15/53/68/464155368.db2.gz XDSRKHMDZHXOIZ-AWEZNQCLSA-N 0 0 325.430 2.031 40 0 EEABRN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3CC=CCC3)cc2CC1 ZINC000225448490 464161093 /nfs/dbraw/zinc/16/10/93/464161093.db2.gz XVRBMSYWTFAATA-KRWDZBQOSA-N 0 0 348.468 2.021 40 0 EEABRN Nc1ncnc(N2CCCN(C(=O)c3cccs3)CC2)c1Cl ZINC000225479027 464164203 /nfs/dbraw/zinc/16/42/03/464164203.db2.gz AJKHVPIENKGCRT-UHFFFAOYSA-N 0 0 337.836 2.126 40 0 EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000225494311 464166970 /nfs/dbraw/zinc/16/69/70/464166970.db2.gz UQYNHOZPFNGNGL-LBPRGKRZSA-N 0 0 344.371 2.034 40 0 EEABRN O=C1CCCN1c1ccc(NC(=S)NCCCn2ccnc2)cc1 ZINC000225521612 464168196 /nfs/dbraw/zinc/16/81/96/464168196.db2.gz GYQPSXLYHYMDKQ-UHFFFAOYSA-N 0 0 343.456 2.387 40 0 EEABRN CCS(=O)(=O)N1CCc2c(cccc2NCC[C@@H]2CCCO2)C1 ZINC000225533979 464169790 /nfs/dbraw/zinc/16/97/90/464169790.db2.gz QJORZFFHTCLLMN-HNNXBMFYSA-N 0 0 338.473 2.375 40 0 EEABRN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188192839 464220315 /nfs/dbraw/zinc/22/03/15/464220315.db2.gz KQDLLAOMYVRTMI-CABCVRRESA-N 0 0 340.464 2.314 40 0 EEABRN CCOc1cc(Cl)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000182202892 464597670 /nfs/dbraw/zinc/59/76/70/464597670.db2.gz JHBMGWVWADLOQN-AWEZNQCLSA-N 0 0 338.835 2.285 40 0 EEABRN Cc1nscc1C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000182350190 464632432 /nfs/dbraw/zinc/63/24/32/464632432.db2.gz LXIDZRBTVYKSSA-AWEZNQCLSA-N 0 0 345.424 2.301 40 0 EEABRN O=C(NCCc1cccs1)[C@@H]1CN(CC2CC2)Cc2ccnn21 ZINC000247468361 464682505 /nfs/dbraw/zinc/68/25/05/464682505.db2.gz DLFDYDSZAHIABZ-INIZCTEOSA-N 0 0 330.457 2.070 40 0 EEABRN O=C(NC1CC1)[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758658 464705812 /nfs/dbraw/zinc/70/58/12/464705812.db2.gz YWZISFZYAIHIQQ-SFHVURJKSA-N 0 0 335.411 2.200 40 0 EEABRN c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCCN3c2cnccn2)c1 ZINC000247826213 464708327 /nfs/dbraw/zinc/70/83/27/464708327.db2.gz FWOFISCMZJKPFE-BQFCYCMXSA-N 0 0 326.400 2.072 40 0 EEABRN c1cncc(CN2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)c1 ZINC000247917639 464715584 /nfs/dbraw/zinc/71/55/84/464715584.db2.gz BREIVCMIJOKYGN-GOSISDBHSA-N 0 0 332.444 2.258 40 0 EEABRN Cc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2CNC3=O)n1 ZINC000248054937 464726485 /nfs/dbraw/zinc/72/64/85/464726485.db2.gz BVDRUDOCNRFDJJ-UHFFFAOYSA-N 0 0 349.434 2.485 40 0 EEABRN Cc1ccsc1CN1Cc2ncn(C)c2[C@@H](C(=O)NCC2CC2)C1 ZINC000248068484 464728011 /nfs/dbraw/zinc/72/80/11/464728011.db2.gz WSGYIJBMYPUJPA-AWEZNQCLSA-N 0 0 344.484 2.416 40 0 EEABRN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)[C@H](c2ccccc2)CO1 ZINC000190920998 464745362 /nfs/dbraw/zinc/74/53/62/464745362.db2.gz HOWCEJZUWUNOHS-AAEUAGOBSA-N 0 0 341.337 2.197 40 0 EEABRN COC(=O)CNC(=O)c1ccc(NC(=O)c2csc(C)c2)cc1 ZINC000252500354 464970821 /nfs/dbraw/zinc/97/08/21/464970821.db2.gz SSWDNJQAKNBTJE-UHFFFAOYSA-N 0 0 332.381 2.212 40 0 EEABRN COC[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516220 464977966 /nfs/dbraw/zinc/97/79/66/464977966.db2.gz QOLBHTYYYIAOBA-RCCFBDPRSA-N 0 0 349.427 2.357 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(COC)C(N)=S ZINC000252515608 464978780 /nfs/dbraw/zinc/97/87/80/464978780.db2.gz MECCANAPGGJGMX-SCRDCRAPSA-N 0 0 347.889 2.159 40 0 EEABRN O=C1Nc2ccccc2CC[C@H]1N1CCO[C@@H](COCC2CC2)C1 ZINC000252535770 464980671 /nfs/dbraw/zinc/98/06/71/464980671.db2.gz GVGKSTHOYNYQAX-SJLPKXTDSA-N 0 0 330.428 2.067 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)[C@](C)(O)CCc1ccccc1)CC2 ZINC000253392299 464997374 /nfs/dbraw/zinc/99/73/74/464997374.db2.gz QVMDITCOHVZZLC-QFBILLFUSA-N 0 0 345.439 2.172 40 0 EEABRN COc1ccc(-c2cc(N(C)C[C@@H]3CCCS(=O)(=O)C3)n[nH]2)cc1 ZINC000253416379 465004850 /nfs/dbraw/zinc/00/48/50/465004850.db2.gz OAVQUHGOKNPGRN-ZDUSSCGKSA-N 0 0 349.456 2.346 40 0 EEABRN O=C(CC1CC1)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000253432451 465014362 /nfs/dbraw/zinc/01/43/62/465014362.db2.gz ZPOIRHIEQPQGST-CQSZACIVSA-N 0 0 342.317 2.385 40 0 EEABRN COc1cc2c(c(OC)c1OC)CCN(Cc1noc(C)n1)CC2 ZINC000253432928 465015207 /nfs/dbraw/zinc/01/52/07/465015207.db2.gz PYOLVCWQNKPQGG-UHFFFAOYSA-N 0 0 333.388 2.005 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1c(F)cccc1F ZINC000253444996 465015300 /nfs/dbraw/zinc/01/53/00/465015300.db2.gz JCKDHUUJFIIAGP-UHFFFAOYSA-N 0 0 344.314 2.021 40 0 EEABRN Cc1ncsc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000253432909 465015351 /nfs/dbraw/zinc/01/53/51/465015351.db2.gz POHLQHWZQPHVIE-HZPDHXFCSA-N 0 0 345.468 2.064 40 0 EEABRN COc1cccc(CN(C)S(=O)(=O)Cc2ccc(C)cc2F)n1 ZINC000192934759 465018277 /nfs/dbraw/zinc/01/82/77/465018277.db2.gz JDFYAKJRMQPJTC-UHFFFAOYSA-N 0 0 338.404 2.500 40 0 EEABRN C[C@@H](O)CNC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000360854182 465617460 /nfs/dbraw/zinc/61/74/60/465617460.db2.gz KEBNGUZEFSQLON-SECBINFHSA-N 0 0 328.294 2.393 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)NC[C@@H](OC)C(C)C)C1 ZINC000362419108 465721818 /nfs/dbraw/zinc/72/18/18/465721818.db2.gz JPDJJTRUNXROAH-WMLDXEAASA-N 0 0 335.448 2.244 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408592920 466681997 /nfs/dbraw/zinc/68/19/97/466681997.db2.gz PCDJWYDWCMMXHX-ZDUSSCGKSA-N 0 0 342.461 2.009 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408595276 466682152 /nfs/dbraw/zinc/68/21/52/466682152.db2.gz URUJHOJOTWAXMQ-OLZOCXBDSA-N 0 0 342.461 2.055 40 0 EEABRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)C1(C)C ZINC000375093690 466803044 /nfs/dbraw/zinc/80/30/44/466803044.db2.gz GIACQHYKCROQJH-KCXAZCMYSA-N 0 0 346.402 2.299 40 0 EEABRN O=C([C@H]1CC=CCC1)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390830262 467413276 /nfs/dbraw/zinc/41/32/76/467413276.db2.gz JUSTTYOEXWJKBE-AWEZNQCLSA-N 0 0 338.411 2.311 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)o1 ZINC000408175353 467522281 /nfs/dbraw/zinc/52/22/81/467522281.db2.gz STWGAYHZCDIHEP-GFCCVEGCSA-N 0 0 336.417 2.083 40 0 EEABRN COc1nc(CNC(=O)c2cc(C)cs2)nc(N2CCCCC2)n1 ZINC000575603839 468145669 /nfs/dbraw/zinc/14/56/69/468145669.db2.gz LPUZXHYTTVOYRN-UHFFFAOYSA-N 0 0 347.444 2.170 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(CSc3ccccc3OC)n2C1 ZINC000601044883 468729940 /nfs/dbraw/zinc/72/99/40/468729940.db2.gz SHBBXAPIZDOZDT-LLVKDONJSA-N 0 0 333.413 2.314 40 0 EEABRN COc1cc(CN2C[C@]3(CCNC3=O)CC(F)(F)C2)cc(OC)c1 ZINC000585093207 468963661 /nfs/dbraw/zinc/96/36/61/468963661.db2.gz JILHWMMIKORWJX-INIZCTEOSA-N 0 0 340.370 2.051 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1ccccc1F)[C@H]2C ZINC000585097128 468965723 /nfs/dbraw/zinc/96/57/23/468965723.db2.gz FYWOPJQCNRNIAI-ZDUSSCGKSA-N 0 0 331.391 2.357 40 0 EEABRN Cc1cc(CN2CCn3c(CCOCC4CC4)cnc3[C@@H]2C)[nH]n1 ZINC000585097335 468965828 /nfs/dbraw/zinc/96/58/28/468965828.db2.gz IWBIVCVSAOVIQY-AWEZNQCLSA-N 0 0 329.448 2.461 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000585103620 468970001 /nfs/dbraw/zinc/97/00/01/468970001.db2.gz YKOMONMGKXCIDK-VQIMIIECSA-N 0 0 330.428 2.082 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000585103212 468970751 /nfs/dbraw/zinc/97/07/51/468970751.db2.gz SGMWDBJVBKMXIS-FXAWDEMLSA-N 0 0 344.455 2.011 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585105534 468972523 /nfs/dbraw/zinc/97/25/23/468972523.db2.gz ZATQSSCKODKXKG-HNNXBMFYSA-N 0 0 327.409 2.256 40 0 EEABRN CCn1cc(CN2Cc3ccnn3[C@@H](COc3ccccn3)C2)cn1 ZINC000585111853 468975115 /nfs/dbraw/zinc/97/51/15/468975115.db2.gz HQESDIRHHQVSDT-QGZVFWFLSA-N 0 0 338.415 2.130 40 0 EEABRN CCOC(=O)c1cnc2c(F)c(F)ccc2c1OCc1ncnn1C ZINC000585140065 468988476 /nfs/dbraw/zinc/98/84/76/468988476.db2.gz VRUXVMNBPCOXPN-UHFFFAOYSA-N 0 0 348.309 2.397 40 0 EEABRN C[C@H](CC(=O)N1CCO[C@](C)(c2ccccc2)C1)N1CCCC1=O ZINC000585140983 468990485 /nfs/dbraw/zinc/99/04/85/468990485.db2.gz NNQZIXKZQJASKI-BEFAXECRSA-N 0 0 330.428 2.162 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585268983 468996742 /nfs/dbraw/zinc/99/67/42/468996742.db2.gz GMNWXBJIFNIGCN-ROUUACIJSA-N 0 0 328.387 2.358 40 0 EEABRN CO[C@H]1CCCN(C(=O)Cn2nc(C)nc2C)[C@H]1Cc1ccccc1 ZINC000585275736 468999581 /nfs/dbraw/zinc/99/95/81/468999581.db2.gz GLVVZDCYPVDEPF-ROUUACIJSA-N 0 0 342.443 2.144 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCCN(C(=O)C2CCOCC2)C1 ZINC000585276908 469001943 /nfs/dbraw/zinc/00/19/43/469001943.db2.gz KKRIZTFVCUZFPM-IBGZPJMESA-N 0 0 333.428 2.154 40 0 EEABRN Cc1ncccc1CN1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585276865 469002100 /nfs/dbraw/zinc/00/21/00/469002100.db2.gz SBYVPVKJZDDEMB-LJQANCHMSA-N 0 0 330.403 2.335 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C[C@H]1Cc1cccc(F)c1 ZINC000585278583 469004851 /nfs/dbraw/zinc/00/48/51/469004851.db2.gz UIASVNWCMPVROB-SJLPKXTDSA-N 0 0 345.418 2.437 40 0 EEABRN CCc1n[nH]cc1C(=O)N1CCC[C@](O)(COc2ccccc2)C1 ZINC000585279277 469005158 /nfs/dbraw/zinc/00/51/58/469005158.db2.gz YTVFJICOFSVOKX-GOSISDBHSA-N 0 0 329.400 2.018 40 0 EEABRN CNC(=O)C[C@]1(COC)CCCN1C(=O)c1c(F)cccc1Cl ZINC000585279820 469006660 /nfs/dbraw/zinc/00/66/60/469006660.db2.gz ZIUCIHLGRPANLH-INIZCTEOSA-N 0 0 342.798 2.236 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)[C@H]2O)cc1 ZINC000585285691 469009262 /nfs/dbraw/zinc/00/92/62/469009262.db2.gz QLZWARQSMRQZBC-MZMPZRCHSA-N 0 0 342.395 2.044 40 0 EEABRN CC(C)N(C[C@H]1CC[N@H+](CC(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC000079413867 500614898 /nfs/dbraw/zinc/61/48/98/500614898.db2.gz GOFACNQMRPPIHH-INIZCTEOSA-N 0 0 334.416 2.440 40 0 EEABRN O=S1(=O)CCN(c2cc(NCc3cncs3)ccc2F)CC1 ZINC000096485924 501082367 /nfs/dbraw/zinc/08/23/67/501082367.db2.gz BCLGVAJYHGQMNP-UHFFFAOYSA-N 0 0 341.433 2.129 40 0 EEABRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000079044097 533937568 /nfs/dbraw/zinc/93/75/68/533937568.db2.gz HCBFLGXOMJBDTJ-WDEREUQCSA-N 0 0 342.798 2.374 40 0 EEABRN Cn1cc(I)c(COCCC(F)(F)F)n1 ZINC000408715271 534737300 /nfs/dbraw/zinc/73/73/00/534737300.db2.gz AJZSGSULDAFMMO-UHFFFAOYSA-N 0 0 334.079 2.494 40 0 EEABRN CO[C@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 ZINC000253393234 523943752 /nfs/dbraw/zinc/94/37/52/523943752.db2.gz WXNVPADEZYUWFS-CABCVRRESA-N 0 0 349.406 2.014 40 0 EEABRN O=C(CNC(=O)N1CCc2ccccc2C1)N(CC(F)F)C1CC1 ZINC000096408447 526837842 /nfs/dbraw/zinc/83/78/42/526837842.db2.gz FLAQADIRQGAGIB-UHFFFAOYSA-N 0 0 337.370 2.010 40 0 EEABRN CCNS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1OCC ZINC000408697457 528374948 /nfs/dbraw/zinc/37/49/48/528374948.db2.gz JLRKCAMJLNUDLC-UHFFFAOYSA-N 0 0 340.445 2.056 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H](Cc3nccnc3NC)C2)no1 ZINC000257202630 536107673 /nfs/dbraw/zinc/10/76/73/536107673.db2.gz AMRPRWBOSAFHAE-GFCCVEGCSA-N 0 0 329.404 2.164 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257297310 536421394 /nfs/dbraw/zinc/42/13/94/536421394.db2.gz RGSPQXCXKYVTKR-HNNXBMFYSA-N 0 0 330.363 2.400 40 0 EEABRN Cc1cc(Cc2nc(-c3cccc(N4CCNC4=O)c3)no2)no1 ZINC000904037230 694272166 /nfs/dbraw/zinc/27/21/66/694272166.db2.gz CZBQYJBGTDDOAR-UHFFFAOYSA-N 0 0 325.328 2.153 40 0 EEABRN Cc1nc2n(n1)C[C@@H](C(=O)N1CC(c3cccc(Cl)c3)C1)CC2 ZINC000899154935 693635559 /nfs/dbraw/zinc/63/55/59/693635559.db2.gz KACJSTYVBROJIA-ZDUSSCGKSA-N 0 0 330.819 2.428 40 0 EEABRN CCOc1ccc(/C=C(\C(=O)NCCOC)n2ccccc2=O)cc1 ZINC000199401006 1191978432 /nfs/dbraw/zinc/97/84/32/1191978432.db2.gz UTCHHLYIFONRQP-SAPNQHFASA-N 0 0 342.395 2.008 40 0 EEABRN O=C(NCc1ccccn1)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972353 1352373833 /nfs/dbraw/zinc/37/38/33/1352373833.db2.gz VPSHQZCDGHMANH-UHFFFAOYSA-N 0 0 326.331 2.384 40 0 EEABRN O=C(C[C@@H]1CC(=O)NC1=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000820681513 786016088 /nfs/dbraw/zinc/01/60/88/786016088.db2.gz UAVSBXLUDKJWAN-OXJNMPFZSA-N 0 0 348.402 2.214 40 0 EEABRN COCCN(CCOC)C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000016740210 201979691 /nfs/dbraw/zinc/97/96/91/201979691.db2.gz SAAKSFSJIZPSGG-UHFFFAOYSA-N 0 0 337.416 2.478 40 0 EEABRN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)ncc2C1 ZINC000019018468 201997813 /nfs/dbraw/zinc/99/78/13/201997813.db2.gz SCVDQXCSBLMQJH-KRWDZBQOSA-N 0 0 342.443 2.235 40 0 EEABRN CC(C)Nc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019450231 202006571 /nfs/dbraw/zinc/00/65/71/202006571.db2.gz FRFNDEYOTWIYPC-AWEZNQCLSA-N 0 0 326.400 2.106 40 0 EEABRN C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000024839767 202121230 /nfs/dbraw/zinc/12/12/30/202121230.db2.gz YBAZGIWZGCQDOL-AWEZNQCLSA-N 0 0 344.436 2.285 40 0 EEABRN Cc1cc2c(ncnc2N2CCN(C(=O)C[C@@H]3CCCO3)CC2)s1 ZINC000187109380 236120162 /nfs/dbraw/zinc/12/01/62/236120162.db2.gz TVEXASGGNKDXKW-ZDUSSCGKSA-N 0 0 346.456 2.217 40 0 EEABRN O=C([O-])COc1ccccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257312670 304071537 /nfs/dbraw/zinc/07/15/37/304071537.db2.gz UPBLGFDMLNDFGE-KRWDZBQOSA-N 0 0 326.396 2.297 40 0 EEABRN CCn1cc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cn1 ZINC000032604089 202229420 /nfs/dbraw/zinc/22/94/20/202229420.db2.gz JVOBMOPNZJCZHQ-UHFFFAOYSA-N 0 0 335.433 2.494 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000189837702 237303010 /nfs/dbraw/zinc/30/30/10/237303010.db2.gz FRDRKEGFKCQFLL-UHFFFAOYSA-N 0 0 345.418 2.304 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000069146232 202270039 /nfs/dbraw/zinc/27/00/39/202270039.db2.gz GIOACFMJAXRNFF-LLVKDONJSA-N 0 0 330.837 2.079 40 0 EEABRN CCc1ccc(CN2CCN(C(=O)Cc3cc(C)on3)CC2)s1 ZINC000073855763 202367678 /nfs/dbraw/zinc/36/76/78/202367678.db2.gz LDRRPHIXRNQHLA-UHFFFAOYSA-N 0 0 333.457 2.494 40 0 EEABRN CC(C)C[C@H]1COCCN1C(=O)NC1CCN(CC(F)F)CC1 ZINC000073057572 202368589 /nfs/dbraw/zinc/36/85/89/202368589.db2.gz NQMCJJQIWPPTMI-AWEZNQCLSA-N 0 0 333.423 2.172 40 0 EEABRN Cc1nsc(N2CCCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000072801077 202368735 /nfs/dbraw/zinc/36/87/35/202368735.db2.gz AVLCXVQTWNNYFM-UHFFFAOYSA-N 0 0 349.435 2.136 40 0 EEABRN CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237890 202356284 /nfs/dbraw/zinc/35/62/84/202356284.db2.gz XLIXCEKFXAHPQD-IRXDYDNUSA-N 0 0 344.436 2.305 40 0 EEABRN O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCOCC1 ZINC000072264762 202358858 /nfs/dbraw/zinc/35/88/58/202358858.db2.gz FFLJLEFKKKPANI-UHFFFAOYSA-N 0 0 333.409 2.287 40 0 EEABRN O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000074803150 202373269 /nfs/dbraw/zinc/37/32/69/202373269.db2.gz WRLXOGDCENVJJC-JTQLQIEISA-N 0 0 343.210 2.252 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3cccnc3)CC2)s1 ZINC000075968523 202380294 /nfs/dbraw/zinc/38/02/94/202380294.db2.gz LFQSQMQMCSHSSJ-UHFFFAOYSA-N 0 0 332.429 2.037 40 0 EEABRN CCc1ccc([C@H](COC)NC(=O)c2nc3ccccc3c(=O)[nH]2)o1 ZINC000075490999 202381166 /nfs/dbraw/zinc/38/11/66/202381166.db2.gz PICNSFCAOODEDK-AWEZNQCLSA-N 0 0 341.367 2.196 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2nccs2)C1 ZINC000078111993 202394418 /nfs/dbraw/zinc/39/44/18/202394418.db2.gz FARKVNLOAROHQM-STQMWFEESA-N 0 0 338.477 2.398 40 0 EEABRN COc1ccc(Cc2nnc(NC(=O)N3CCO[C@H](C)C3)s2)cc1 ZINC000078611825 202399081 /nfs/dbraw/zinc/39/90/81/202399081.db2.gz PRUMMKGFFJMGPG-LLVKDONJSA-N 0 0 348.428 2.390 40 0 EEABRN Cn1cc([C@@H]2[C@@H](C(=O)OCc3cccs3)CCC(=O)N2C)cn1 ZINC000076851317 202389431 /nfs/dbraw/zinc/38/94/31/202389431.db2.gz XXVHOHXQXDNSHU-DZGCQCFKSA-N 0 0 333.413 2.135 40 0 EEABRN COCCCNC(=O)[C@@H](C)[S@](=O)Cc1csc(C(C)C)n1 ZINC000078394702 202390513 /nfs/dbraw/zinc/39/05/13/202390513.db2.gz MINSWJVDJGSKHF-FIKIJFGZSA-N 0 0 332.491 2.056 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)C(=O)Nc2cccc3[nH]ccc32)n1 ZINC000077728138 202392610 /nfs/dbraw/zinc/39/26/10/202392610.db2.gz ZHHCBTUYINAAFL-GFCCVEGCSA-N 0 0 339.399 2.125 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCc1coc2ccccc12 ZINC000077665684 202393197 /nfs/dbraw/zinc/39/31/97/202393197.db2.gz UXPGXHVNAZWBBB-NEPJUHHUSA-N 0 0 336.413 2.150 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)c2cc3ccccc3c(=O)[nH]2)c(C)o1 ZINC000080899702 202471901 /nfs/dbraw/zinc/47/19/01/202471901.db2.gz PVTNRRIINQHAJV-LJQANCHMSA-N 0 0 340.379 2.375 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000408706822 238296244 /nfs/dbraw/zinc/29/62/44/238296244.db2.gz FDZPRXAVVNAJMI-CQSZACIVSA-N 0 0 326.396 2.231 40 0 EEABRN FCCn1cc(I)c(COCC(F)F)n1 ZINC000408715966 238297358 /nfs/dbraw/zinc/29/73/58/238297358.db2.gz HIBXBSINADMIKT-UHFFFAOYSA-N 0 0 334.079 2.239 40 0 EEABRN COc1ccccc1[C@H](NC(=O)[C@@H](C)n1cccn1)c1noc(C)n1 ZINC000072696183 216296067 /nfs/dbraw/zinc/29/60/67/216296067.db2.gz WMVLFWDKXIRQPY-ABAIWWIYSA-N 0 0 341.371 2.050 40 0 EEABRN O=C(NCc1ccc(OCc2ccccc2F)cc1)[C@H]1CCC(=O)N1 ZINC000185789805 201040410 /nfs/dbraw/zinc/04/04/10/201040410.db2.gz VVDXBVXJUXBCOV-QGZVFWFLSA-N 0 0 342.370 2.300 40 0 EEABRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000192421342 201053741 /nfs/dbraw/zinc/05/37/41/201053741.db2.gz GGGWHCOEMMWFJL-LURJTMIESA-N 0 0 341.191 2.441 40 0 EEABRN O=C(CC(c1ccccc1)c1ccccc1)N1CCOC[C@@H]1CO ZINC000085469597 202618090 /nfs/dbraw/zinc/61/80/90/202618090.db2.gz XMLZXRZTVFQZEB-SFHVURJKSA-N 0 0 325.408 2.428 40 0 EEABRN O=C(NCc1nc(-c2cccs2)no1)[C@@H]1COc2ccccc2O1 ZINC000058289560 202751270 /nfs/dbraw/zinc/75/12/70/202751270.db2.gz VZFBGGOJNXHTIB-LBPRGKRZSA-N 0 0 343.364 2.254 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@]2(O)CCOc3ccccc32)s1 ZINC000075158161 216589663 /nfs/dbraw/zinc/58/96/63/216589663.db2.gz UVRWWCKPWAJGNF-OAHLLOKOSA-N 0 0 339.438 2.005 40 0 EEABRN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000010255893 201504741 /nfs/dbraw/zinc/50/47/41/201504741.db2.gz WORZSRYKTGYIKJ-INIZCTEOSA-N 0 0 344.798 2.423 40 0 EEABRN Cc1cncnc1N1CCN(C(=O)NCCCc2ccccc2)CC1 ZINC000225586697 241938718 /nfs/dbraw/zinc/93/87/18/241938718.db2.gz LGBGXPBBEMNQQS-UHFFFAOYSA-N 0 0 339.443 2.249 40 0 EEABRN CCC[C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947511 242078490 /nfs/dbraw/zinc/07/84/90/242078490.db2.gz WAXNSNMVENAWNK-RISCZKNCSA-N 0 0 330.425 2.111 40 0 EEABRN CCc1oc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)cc1C(=O)OC ZINC000225787267 242033485 /nfs/dbraw/zinc/03/34/85/242033485.db2.gz BIIBVAMOJGNNAG-XJKSGUPXSA-N 0 0 344.367 2.284 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)N3CCC(C)CC3)nn2)c1 ZINC000227160506 242125900 /nfs/dbraw/zinc/12/59/00/242125900.db2.gz OCMCKVWSTXPLFI-UHFFFAOYSA-N 0 0 328.416 2.424 40 0 EEABRN O=C(Cn1cc(COc2cccc(F)c2)nn1)NC1CCCCC1 ZINC000227169755 242126879 /nfs/dbraw/zinc/12/68/79/242126879.db2.gz YHIVPVSLRJJCRF-UHFFFAOYSA-N 0 0 332.379 2.445 40 0 EEABRN CC(C)(C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000241693993 242998610 /nfs/dbraw/zinc/99/86/10/242998610.db2.gz QJNLVACUQMSVAJ-KGLIPLIRSA-N 0 0 330.494 2.133 40 0 EEABRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000089326707 202802856 /nfs/dbraw/zinc/80/28/56/202802856.db2.gz NBFPTCXXZUIMBA-CUOATXAZSA-N 0 0 330.211 2.470 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCO[C@H]2C)c1 ZINC000252497100 243816231 /nfs/dbraw/zinc/81/62/31/243816231.db2.gz PZBFKKGYEYHRJL-NHYWBVRUSA-N 0 0 347.864 2.282 40 0 EEABRN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(C2CC2)no1 ZINC000252507700 243831382 /nfs/dbraw/zinc/83/13/82/243831382.db2.gz WRXDUTTWPWNJSJ-LLVKDONJSA-N 0 0 336.338 2.411 40 0 EEABRN COc1c(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)c(C)nn1C ZINC000091738487 203076102 /nfs/dbraw/zinc/07/61/02/203076102.db2.gz DMJGTDAPMIJDJG-UHFFFAOYSA-N 0 0 345.447 2.103 40 0 EEABRN c1cncc(CN2CC3(C2)C[C@@H](CCOc2cnccn2)CCO3)c1 ZINC000253602910 244033726 /nfs/dbraw/zinc/03/37/26/244033726.db2.gz TVHRPOJLFSJRKX-INIZCTEOSA-N 0 0 340.427 2.322 40 0 EEABRN CSc1nc(=O)n(C[C@H]2CCC[C@H](C(F)(F)F)C2)c(=O)n1C ZINC000255187795 244046824 /nfs/dbraw/zinc/04/68/24/244046824.db2.gz GUMZXLMWBWROFI-IUCAKERBSA-N 0 0 337.367 2.033 40 0 EEABRN Cc1ncccc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257212261 244152716 /nfs/dbraw/zinc/15/27/16/244152716.db2.gz CCORZPUUAOAGSC-INIZCTEOSA-N 0 0 326.400 2.065 40 0 EEABRN Cc1cc(CN2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)no1 ZINC000257215580 244167931 /nfs/dbraw/zinc/16/79/31/244167931.db2.gz CQSRTERQHWHVHZ-QGZVFWFLSA-N 0 0 330.432 2.278 40 0 EEABRN O=S(=O)(Nc1cc(F)ccc1F)c1cnn(-c2ccccn2)c1 ZINC000072238983 203183830 /nfs/dbraw/zinc/18/38/30/203183830.db2.gz JPKDXCVECDJACA-UHFFFAOYSA-N 0 0 336.323 2.346 40 0 EEABRN Cc1nc(Nc2nccs2)cc(C2CN(Cc3ncc[nH]3)C2)n1 ZINC000072382781 203209925 /nfs/dbraw/zinc/20/99/25/203209925.db2.gz PZPIPUMVGVRTDI-UHFFFAOYSA-N 0 0 327.417 2.308 40 0 EEABRN Cc1cc(C)nc(Nc2cc(C3CN(c4ncccn4)C3)nc(C)n2)n1 ZINC000072382751 203210097 /nfs/dbraw/zinc/21/00/97/203210097.db2.gz VFOQTIVEGXOURW-UHFFFAOYSA-N 0 0 348.414 2.329 40 0 EEABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3CCO)n2)n1 ZINC000072382370 203210878 /nfs/dbraw/zinc/21/08/78/203210878.db2.gz KOVSMKFLWIUPJU-CQSZACIVSA-N 0 0 328.420 2.065 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2ccc(C(=O)NC3CCCCC3)nn2)C1 ZINC000072387104 203211997 /nfs/dbraw/zinc/21/19/97/203211997.db2.gz JLNSAWXNRPPKTR-HNNXBMFYSA-N 0 0 344.459 2.340 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)s1 ZINC000257245173 244256284 /nfs/dbraw/zinc/25/62/84/244256284.db2.gz IOIYTSNBGPXUGG-OAHLLOKOSA-N 0 0 346.456 2.332 40 0 EEABRN Cc1cc(CC2CCN(C(=O)C(C)(C)n3cncn3)CC2)ccn1 ZINC000257235700 244229177 /nfs/dbraw/zinc/22/91/77/244229177.db2.gz GYZBEIBZQVPOEE-UHFFFAOYSA-N 0 0 327.432 2.198 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1cccs1 ZINC000072325107 203200868 /nfs/dbraw/zinc/20/08/68/203200868.db2.gz DYZUIWFRFJJMGP-LBPRGKRZSA-N 0 0 331.441 2.392 40 0 EEABRN CC(=O)NCc1cnc([C@@H]2CCCN2C(C)=O)cc1C(F)(F)F ZINC000072355985 203204662 /nfs/dbraw/zinc/20/46/62/203204662.db2.gz UDBCOWGKIDHPTF-AWEZNQCLSA-N 0 0 329.322 2.420 40 0 EEABRN COCC(=O)N1CCC(c2nccnc2Nc2cccc(C)n2)CC1 ZINC000072362334 203206566 /nfs/dbraw/zinc/20/65/66/203206566.db2.gz SNANUXJIOXMXLH-UHFFFAOYSA-N 0 0 341.415 2.276 40 0 EEABRN CC(C)C(=O)N1CCC(Cc2cnc(Nc3ncccn3)cn2)CC1 ZINC000072363551 203206881 /nfs/dbraw/zinc/20/68/81/203206881.db2.gz TUOFDZHOXPMBCU-UHFFFAOYSA-N 0 0 340.431 2.447 40 0 EEABRN O=C(CCCn1ccnc1)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257267768 244366197 /nfs/dbraw/zinc/36/61/97/244366197.db2.gz MIRSXSGSMIWDSJ-HNNXBMFYSA-N 0 0 338.415 2.341 40 0 EEABRN C[C@]1(O)CN(C(=O)Cc2cccnc2)CC[C@@H]1Oc1ccccc1 ZINC000257279769 244403606 /nfs/dbraw/zinc/40/36/06/244403606.db2.gz OICMKXZAWNCHDQ-HKUYNNGSSA-N 0 0 326.396 2.055 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnc1 ZINC000257285409 244417865 /nfs/dbraw/zinc/41/78/65/244417865.db2.gz PGYVDNZATMFHAE-MJQMVNBJSA-N 0 0 327.428 2.476 40 0 EEABRN CC(C)n1nccc1-c1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000257288461 244429271 /nfs/dbraw/zinc/42/92/71/244429271.db2.gz PUGMPFVAPYBKOX-ZDUSSCGKSA-N 0 0 349.460 2.060 40 0 EEABRN CCn1c(SCCN2CCOCC2)nnc1-c1ccccc1OC ZINC000019524211 212037789 /nfs/dbraw/zinc/03/77/89/212037789.db2.gz VPGLRDMGJOOKKB-UHFFFAOYSA-N 0 0 348.472 2.398 40 0 EEABRN Cc1cnc(N2CCO[C@H]3C[C@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096082908 203828619 /nfs/dbraw/zinc/82/86/19/203828619.db2.gz XLCPYRRWIYUMNT-SQNIBIBYSA-N 0 0 340.427 2.381 40 0 EEABRN CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000096082734 203829068 /nfs/dbraw/zinc/82/90/68/203829068.db2.gz CIFKKNCIXOGFHB-JGGQBBKZSA-N 0 0 333.384 2.071 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 ZINC000096187097 203854255 /nfs/dbraw/zinc/85/42/55/203854255.db2.gz VCJLUVUKPFMHKP-SQNIBIBYSA-N 0 0 339.395 2.236 40 0 EEABRN CCOC[C@H]1c2c(cnn2C)CCN1C(=O)CCOc1ccccc1 ZINC000096197758 203861015 /nfs/dbraw/zinc/86/10/15/203861015.db2.gz ULDBOCGBNHXTEO-KRWDZBQOSA-N 0 0 343.427 2.352 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1 ZINC000096225535 203875975 /nfs/dbraw/zinc/87/59/75/203875975.db2.gz FMCNLNGCIVZXGC-LJQANCHMSA-N 0 0 343.427 2.223 40 0 EEABRN CN(N=O)C1=NC2(CCCCC2)[P@](=O)(NN=c2nccc[nH]2)O1 ZINC000104264642 204102940 /nfs/dbraw/zinc/10/29/40/204102940.db2.gz PIMOIEKPVFJTMD-HSZRJFAPSA-N 0 0 339.296 2.246 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC2(CCCN(CC3CCC3)C2=O)CC1 ZINC000108527524 204266345 /nfs/dbraw/zinc/26/63/45/204266345.db2.gz QUURKMJSSVTMIZ-MRXNPFEDSA-N 0 0 334.460 2.054 40 0 EEABRN COCCN1CC[C@@]2(CCCN(C(=O)c3cccs3)CC2)C1=O ZINC000108535135 204267167 /nfs/dbraw/zinc/26/71/67/204267167.db2.gz NGMSYAWJUYWPKQ-KRWDZBQOSA-N 0 0 336.457 2.239 40 0 EEABRN Cc1cccc(N2C[C@H](c3noc(-c4ccc[nH]c4=O)n3)CC2=O)c1 ZINC000049025919 204362895 /nfs/dbraw/zinc/36/28/95/204362895.db2.gz UVJGUYYNEJXNID-GFCCVEGCSA-N 0 0 336.351 2.254 40 0 EEABRN Cc1nc2ccc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2s1 ZINC000127822502 205118737 /nfs/dbraw/zinc/11/87/37/205118737.db2.gz MIGBBWIYEHBORA-CQSZACIVSA-N 0 0 339.442 2.303 40 0 EEABRN COc1ccc(OCC(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000130417282 205239770 /nfs/dbraw/zinc/23/97/70/205239770.db2.gz TZLBYNGPBJNHDL-HNNXBMFYSA-N 0 0 341.411 2.254 40 0 EEABRN CCOc1ncccc1C(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000130777834 205257906 /nfs/dbraw/zinc/25/79/06/205257906.db2.gz NOVJNVXABOLIHG-AWEZNQCLSA-N 0 0 326.400 2.274 40 0 EEABRN Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c(C)c1 ZINC000000414519 205455442 /nfs/dbraw/zinc/45/54/42/205455442.db2.gz YVWQCBWGEYOETM-UHFFFAOYSA-N 0 0 336.399 2.486 40 0 EEABRN CC(=O)N(Cc1cc2ccc(C)cc2n2nnnc12)C[C@H]1CCCO1 ZINC000001367298 205591184 /nfs/dbraw/zinc/59/11/84/205591184.db2.gz KVWRPJKXDYYDKS-MRXNPFEDSA-N 0 0 339.399 2.113 40 0 EEABRN Cc1cc(CN(C)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)no1 ZINC000159069184 206224365 /nfs/dbraw/zinc/22/43/65/206224365.db2.gz FJFQNZKUBKTUIS-GFCCVEGCSA-N 0 0 349.822 2.452 40 0 EEABRN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nccc2sccc21 ZINC000162700099 206416553 /nfs/dbraw/zinc/41/65/53/206416553.db2.gz JYPLNJZQKIKUEA-UHFFFAOYSA-N 0 0 344.396 2.099 40 0 EEABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000010449756 206681693 /nfs/dbraw/zinc/68/16/93/206681693.db2.gz LHZUIJAEJGVOHW-CQSZACIVSA-N 0 0 344.436 2.430 40 0 EEABRN COC(=O)[C@H](C)NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000011617166 291727129 /nfs/dbraw/zinc/72/71/29/291727129.db2.gz VHCRYZQQANTBNB-FJUWGSLBSA-N 0 0 344.249 2.398 40 0 EEABRN COc1cc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)nc(C)n1 ZINC000011027689 206844777 /nfs/dbraw/zinc/84/47/77/206844777.db2.gz YPWYWLFUHWTOAJ-CMDGGOBGSA-N 0 0 338.411 2.156 40 0 EEABRN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000095448981 218392703 /nfs/dbraw/zinc/39/27/03/218392703.db2.gz CAJNHGNHKKABEH-SUMWQHHRSA-N 0 0 332.444 2.409 40 0 EEABRN COc1ccc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000096121073 218612029 /nfs/dbraw/zinc/61/20/29/218612029.db2.gz COYXJWUODQKMQK-UHFFFAOYSA-N 0 0 326.400 2.324 40 0 EEABRN CCOC1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000096408920 218761633 /nfs/dbraw/zinc/76/16/33/218761633.db2.gz DNBKRMCUAPFXLW-QHCPKHFHSA-N 0 0 338.473 2.146 40 0 EEABRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000189914680 291809123 /nfs/dbraw/zinc/80/91/23/291809123.db2.gz ITDZDXSMJHRODA-JKSUJKDBSA-N 0 0 330.428 2.402 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000096419135 218782928 /nfs/dbraw/zinc/78/29/28/218782928.db2.gz TZWMGUBMHUPJIM-ZJIFWQFVSA-N 0 0 339.432 2.401 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N(C)CCOc2cccc(F)c2)cn1 ZINC000096427755 218799905 /nfs/dbraw/zinc/79/99/05/218799905.db2.gz VTGBEWNBUNOWLI-UHFFFAOYSA-N 0 0 341.408 2.303 40 0 EEABRN CSC(C)(C)CNC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C ZINC000096440030 218820858 /nfs/dbraw/zinc/82/08/58/218820858.db2.gz JWJMVPKLOCGZDR-GFCCVEGCSA-N 0 0 325.482 2.362 40 0 EEABRN C[C@H](NC(=O)c1ccnc(C2CC2)n1)C1(N2CCOCC2)CCCC1 ZINC000096449727 218832037 /nfs/dbraw/zinc/83/20/37/218832037.db2.gz KZCQSLMLFXRXJL-AWEZNQCLSA-N 0 0 344.459 2.117 40 0 EEABRN C[C@@](NC(=O)c1ccco1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454573 218838519 /nfs/dbraw/zinc/83/85/19/218838519.db2.gz YKCRRVBDXWBUHQ-AWEZNQCLSA-N 0 0 326.274 2.429 40 0 EEABRN COc1cccc(Cl)c1CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000184823664 533556354 /nfs/dbraw/zinc/55/63/54/533556354.db2.gz NHIJCTKTLBRDCE-CYBMUJFWSA-N 0 0 337.725 2.417 40 0 EEABRN c1ccc2c(c1)nc1nc3c(c(NCCN4CCOCC4)n21)CCC3 ZINC000033945181 285526288 /nfs/dbraw/zinc/52/62/88/285526288.db2.gz REFSZUDXZBEOJO-UHFFFAOYSA-N 0 0 337.427 2.115 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2cn(CC3CC3)nc21 ZINC000096198165 286153141 /nfs/dbraw/zinc/15/31/41/286153141.db2.gz ZHTAZOQTUAKYAR-INIZCTEOSA-N 0 0 342.443 2.408 40 0 EEABRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCS(=O)CC1 ZINC000096420784 304387461 /nfs/dbraw/zinc/38/74/61/304387461.db2.gz BPMCPUHDNHZHRV-VXGBXAGGSA-N 0 0 347.358 2.280 40 0 EEABRN CC[C@@]1(N)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000028102262 273739437 /nfs/dbraw/zinc/73/94/37/273739437.db2.gz QRIADWXXXCEJCX-HXUWFJFHSA-N 0 0 347.374 2.046 40 0 EEABRN CCO[C@H]1Cn2cccc2CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000253383097 276367660 /nfs/dbraw/zinc/36/76/60/276367660.db2.gz KIHRNCFXFWKKGI-HNNXBMFYSA-N 0 0 328.368 2.278 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2cnn(CC3CC3)c21 ZINC000096198404 276464744 /nfs/dbraw/zinc/46/47/44/276464744.db2.gz FIMVGLRRIPSVHF-OAHLLOKOSA-N 0 0 344.415 2.366 40 0 EEABRN CCc1cnc(N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 ZINC000096222564 276696826 /nfs/dbraw/zinc/69/68/26/276696826.db2.gz BMMYUXKKKARFMJ-MAUKXSAKSA-N 0 0 341.415 2.036 40 0 EEABRN CC(=O)Nc1ccc(OC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000051386891 278201101 /nfs/dbraw/zinc/20/11/01/278201101.db2.gz IKMRZDVPMLCXJJ-BBRMVZONSA-N 0 0 334.397 2.004 40 0 EEABRN Cc1ccc2nc(NC(=O)CCCN3C(=O)CN(C)C3=O)sc2c1 ZINC000044869333 278900365 /nfs/dbraw/zinc/90/03/65/278900365.db2.gz FHIFMAHCGAFDRA-UHFFFAOYSA-N 0 0 346.412 2.217 40 0 EEABRN CC[C@@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)N1CCCC1=O ZINC000096436287 280066700 /nfs/dbraw/zinc/06/67/00/280066700.db2.gz DCZDCCHQSUPCEM-IRXDYDNUSA-N 0 0 330.428 2.160 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 ZINC000247862397 280220838 /nfs/dbraw/zinc/22/08/38/280220838.db2.gz NCFLBFLQSDHWFQ-ULQDDVLXSA-N 0 0 339.395 2.033 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccn1)C1CCCC1 ZINC000096484187 290560330 /nfs/dbraw/zinc/56/03/30/290560330.db2.gz BWNHUDDVGSCMSN-JKSUJKDBSA-N 0 0 330.432 2.233 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)o1 ZINC000096485016 293222172 /nfs/dbraw/zinc/22/21/72/293222172.db2.gz OUKHDCIGEXTMNI-HIFRSBDPSA-N 0 0 331.347 2.132 40 0 EEABRN COC[C@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479673 293296474 /nfs/dbraw/zinc/29/64/74/293296474.db2.gz UFGPOZKDTVXAJO-SQNIBIBYSA-N 0 0 331.437 2.279 40 0 EEABRN COc1ccccc1[C@@H]1Cn2ccnc2CN1CC(=O)N1CCCC1 ZINC000257239854 295395575 /nfs/dbraw/zinc/39/55/75/295395575.db2.gz HRBYOVPKBPJXRK-INIZCTEOSA-N 0 0 340.427 2.071 40 0 EEABRN O=C1[C@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000012113157 304718245 /nfs/dbraw/zinc/71/82/45/304718245.db2.gz KTTROGCEKNVUKM-MRXNPFEDSA-N 0 0 342.420 2.387 40 0 EEABRN Cc1ccc(CN(CC(N)=O)C[C@@H]2CCCO2)c(Br)c1 ZINC000225629510 301579768 /nfs/dbraw/zinc/57/97/68/301579768.db2.gz YVBUYFWPZJOQQH-ZDUSSCGKSA-N 0 0 341.249 2.224 40 0 EEABRN Cc1c(CNC(=O)N2CCOC[C@H]2C[C@H](C)O)oc2ccccc12 ZINC000097095130 323320468 /nfs/dbraw/zinc/32/04/68/323320468.db2.gz ODBBXLJPWVADLK-GXTWGEPZSA-N 0 0 332.400 2.423 40 0 EEABRN COC1(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000097235958 323320971 /nfs/dbraw/zinc/32/09/71/323320971.db2.gz JSGJTZUZYVGCEA-ZDUSSCGKSA-N 0 0 329.404 2.197 40 0 EEABRN CC[C@@H]1CCCCCN1C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000097237786 323321190 /nfs/dbraw/zinc/32/11/90/323321190.db2.gz XHKLRQCZYDHBIF-CQSZACIVSA-N 0 0 329.404 2.466 40 0 EEABRN CCc1cnc(CCNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)s1 ZINC000097234511 323321474 /nfs/dbraw/zinc/32/14/74/323321474.db2.gz UJXJTFJPYXOMBB-GXTWGEPZSA-N 0 0 325.478 2.441 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)Cc1noc2ccccc21 ZINC000097379464 323322938 /nfs/dbraw/zinc/32/29/38/323322938.db2.gz HPSIQMLMORIBMY-INIZCTEOSA-N 0 0 325.368 2.309 40 0 EEABRN C[C@H]1C[C@@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC(=O)N1 ZINC000195556782 323514037 /nfs/dbraw/zinc/51/40/37/323514037.db2.gz UYQWVAHHVBDNOD-UONOGXRCSA-N 0 0 332.444 2.394 40 0 EEABRN CCOc1ccc(NC(=O)C[C@@H]2OC[C@@H]3CCCCN3C2=O)cc1 ZINC000000198091 462546956 /nfs/dbraw/zinc/54/69/56/462546956.db2.gz XVIVVWPEWLTKLH-HOCLYGCPSA-N 0 0 332.400 2.194 40 0 EEABRN COc1ccc(C2=NN(C(=O)C3CC3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000000331041 462554848 /nfs/dbraw/zinc/55/48/48/462554848.db2.gz ISLHXKDYZXQBNN-CQSZACIVSA-N 0 0 328.290 2.293 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000000571876 462570881 /nfs/dbraw/zinc/57/08/81/462570881.db2.gz ZOLUVUANECVGLQ-UHFFFAOYSA-N 0 0 348.424 2.222 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000087134124 462592209 /nfs/dbraw/zinc/59/22/09/462592209.db2.gz GYGILJWGUPZUHZ-ZDUSSCGKSA-N 0 0 338.354 2.055 40 0 EEABRN Cc1nnnn1-c1cccc(NC(=O)NCc2ccc(F)cc2)c1 ZINC000045689802 462608357 /nfs/dbraw/zinc/60/83/57/462608357.db2.gz IQXASJHNCOXPIP-UHFFFAOYSA-N 0 0 326.335 2.432 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nnc(C(F)F)s1 ZINC000088375106 462625711 /nfs/dbraw/zinc/62/57/11/462625711.db2.gz UTJVKGXNFWXCHZ-ZCFIWIBFSA-N 0 0 343.363 2.286 40 0 EEABRN O=C(COc1ccccc1)N1CCN(c2nncc3ccccc32)CC1 ZINC000074795501 462635287 /nfs/dbraw/zinc/63/52/87/462635287.db2.gz FMMOUEGUTMZYDI-UHFFFAOYSA-N 0 0 348.406 2.357 40 0 EEABRN CC[C@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000004995849 462642064 /nfs/dbraw/zinc/64/20/64/462642064.db2.gz GTBHDLLZXSUXDC-JTQLQIEISA-N 0 0 348.852 2.029 40 0 EEABRN CCn1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)cn1 ZINC000074977032 462661161 /nfs/dbraw/zinc/66/11/61/462661161.db2.gz DYUVJMPGZBELHX-UHFFFAOYSA-N 0 0 346.456 2.328 40 0 EEABRN O=C(OC[C@H]1O[C@H](O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005735401 462668762 /nfs/dbraw/zinc/66/87/62/462668762.db2.gz AKCFUIMCQPPMTA-BBWFWOEESA-N 0 0 342.347 2.176 40 0 EEABRN CCc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)[nH]1 ZINC000006358985 462684296 /nfs/dbraw/zinc/68/42/96/462684296.db2.gz GUPGKUBRRDAZSN-VIFPVBQESA-N 0 0 334.401 2.273 40 0 EEABRN CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000006629609 462693014 /nfs/dbraw/zinc/69/30/14/462693014.db2.gz JGBGTPHEPWUIOR-UVTDQMKNSA-N 0 0 347.440 2.315 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(O)cc2)c1 ZINC000006680357 462697714 /nfs/dbraw/zinc/69/77/14/462697714.db2.gz FOGVLRVWZAQWHX-UHFFFAOYSA-N 0 0 340.426 2.346 40 0 EEABRN CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCC ZINC000006959640 462714019 /nfs/dbraw/zinc/71/40/19/462714019.db2.gz ZNXSMCAPMSSLMM-YHYXMXQVSA-N 0 0 337.763 2.239 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000010041097 462812027 /nfs/dbraw/zinc/81/20/27/462812027.db2.gz XAMUIAXAUMFEML-CQSZACIVSA-N 0 0 332.425 2.012 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000010315219 462817244 /nfs/dbraw/zinc/81/72/44/462817244.db2.gz HPQTVKFLVHTIHP-UHFFFAOYSA-N 0 0 347.396 2.269 40 0 EEABRN C[C@H](Cn1c2ccccc2oc1=O)NC(=O)c1ccc2c(c1)OCO2 ZINC000012141975 462844690 /nfs/dbraw/zinc/84/46/90/462844690.db2.gz JCKLHKKIWWJMDR-LLVKDONJSA-N 0 0 340.335 2.142 40 0 EEABRN O=C(Cn1ccnc1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012221882 462846809 /nfs/dbraw/zinc/84/68/09/462846809.db2.gz BDYMAENLXBOXHD-HNNXBMFYSA-N 0 0 327.384 2.072 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000012393387 462851001 /nfs/dbraw/zinc/85/10/01/462851001.db2.gz AITCRDKKPZYITR-JHNDHUHGSA-N 0 0 346.427 2.316 40 0 EEABRN O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cccnc1 ZINC000012362395 462851488 /nfs/dbraw/zinc/85/14/88/462851488.db2.gz HXDIVDGNFYZHJN-KRWDZBQOSA-N 0 0 349.431 2.336 40 0 EEABRN CCOC(=O)c1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)cc1 ZINC000012411101 462853106 /nfs/dbraw/zinc/85/31/06/462853106.db2.gz FNDPARRCAAZXJE-LCYFTJDESA-N 0 0 342.376 2.469 40 0 EEABRN Cn1ncc2c1CCCN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000012671238 462862129 /nfs/dbraw/zinc/86/21/29/462862129.db2.gz UYLPJUFZAKJWFK-UHFFFAOYSA-N 0 0 325.412 2.263 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C)cc1 ZINC000013688592 462899259 /nfs/dbraw/zinc/89/92/59/462899259.db2.gz VSFGMIPBXNDSDH-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCSC(C)(C)C)c1 ZINC000066936242 462949992 /nfs/dbraw/zinc/94/99/92/462949992.db2.gz BAZRIFSFWZPZSH-UHFFFAOYSA-N 0 0 331.459 2.283 40 0 EEABRN Cc1ccc(S(=O)(=O)N/N=c2/ccc3ccccc3n2C)cc1 ZINC000017109863 462995643 /nfs/dbraw/zinc/99/56/43/462995643.db2.gz KPOPIMMEXQBEHV-ZCXUNETKSA-N 0 0 327.409 2.281 40 0 EEABRN O=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000017167675 462996085 /nfs/dbraw/zinc/99/60/85/462996085.db2.gz VUNVADUHHUJJFT-UHFFFAOYSA-N 0 0 341.386 2.389 40 0 EEABRN Cc1nn(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)c(C)c1C ZINC000019557202 463019730 /nfs/dbraw/zinc/01/97/30/463019730.db2.gz MOMQWYIPMOVIFP-KRWDZBQOSA-N 0 0 341.459 2.236 40 0 EEABRN CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000095432859 463083530 /nfs/dbraw/zinc/08/35/30/463083530.db2.gz SBVLGEISPWZLGF-QMMMGPOBSA-N 0 0 342.642 2.152 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cccc2ncccc21 ZINC000078449308 463116914 /nfs/dbraw/zinc/11/69/14/463116914.db2.gz FWGHTZRDPOUAHC-INIZCTEOSA-N 0 0 341.436 2.276 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000078714993 463143176 /nfs/dbraw/zinc/14/31/76/463143176.db2.gz ILAATYLCYGSIJJ-SJORKVTESA-N 0 0 336.407 2.460 40 0 EEABRN CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)nn1CC)C2 ZINC000096039478 463143855 /nfs/dbraw/zinc/14/38/55/463143855.db2.gz RNDVICGVEPOIRF-SJLPKXTDSA-N 0 0 335.448 2.259 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038883 463144217 /nfs/dbraw/zinc/14/42/17/463144217.db2.gz MPSAAZCUSFRURR-RRFJBIMHSA-N 0 0 335.473 2.039 40 0 EEABRN O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040323 463144823 /nfs/dbraw/zinc/14/48/23/463144823.db2.gz ZZKDEOKSXBYVEB-PKOBYXMFSA-N 0 0 345.443 2.305 40 0 EEABRN O=C(c1ccccn1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC000096058110 463159435 /nfs/dbraw/zinc/15/94/35/463159435.db2.gz YLUHEXOTOLCFDL-KSZLIROESA-N 0 0 339.395 2.065 40 0 EEABRN Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1ccc(F)cc1)C2 ZINC000096060712 463159532 /nfs/dbraw/zinc/15/95/32/463159532.db2.gz GOAJCLNNTDQVLZ-OAHLLOKOSA-N 0 0 330.407 2.480 40 0 EEABRN Cc1nc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)cs1 ZINC000096058643 463160142 /nfs/dbraw/zinc/16/01/42/463160142.db2.gz LZWAQVDPXLWZFI-CYBMUJFWSA-N 0 0 330.457 2.346 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096058002 463160284 /nfs/dbraw/zinc/16/02/84/463160284.db2.gz SNELVXNLPUPQBA-GVDBMIGSSA-N 0 0 328.368 2.263 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096069676 463165983 /nfs/dbraw/zinc/16/59/83/463165983.db2.gz MFOVYLPQEQMBNF-INIZCTEOSA-N 0 0 337.423 2.304 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4c[nH]cn4)C3)CC2=O)cc1C ZINC000096077511 463168694 /nfs/dbraw/zinc/16/86/94/463168694.db2.gz RVAXSEJKUOQBPS-LJQANCHMSA-N 0 0 338.411 2.296 40 0 EEABRN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc(O)cc3)[C@@H]2C1 ZINC000096080548 463169094 /nfs/dbraw/zinc/16/90/94/463169094.db2.gz FGSKFNJEBBUUNV-IEBWSBKVSA-N 0 0 337.423 2.063 40 0 EEABRN CCO[C@H]1COC2(C1)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096106568 463175386 /nfs/dbraw/zinc/17/53/86/463175386.db2.gz NCOQOZLWMYVLKR-CQSZACIVSA-N 0 0 343.420 2.174 40 0 EEABRN CCOC(=O)c1cnn(CC(=O)NCc2cccs2)c1C(F)F ZINC000078995679 463176265 /nfs/dbraw/zinc/17/62/65/463176265.db2.gz LMGYUGZMWACTAI-UHFFFAOYSA-N 0 0 343.355 2.375 40 0 EEABRN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1COCCO1 ZINC000079000913 463177426 /nfs/dbraw/zinc/17/74/26/463177426.db2.gz ZVIGPDDGSPCSSH-GOSISDBHSA-N 0 0 326.396 2.334 40 0 EEABRN CCc1cc(CNC(=O)Cc2csc(-c3cccnc3)n2)[nH]n1 ZINC000079002209 463177522 /nfs/dbraw/zinc/17/75/22/463177522.db2.gz NOVUZUVWMFITBL-UHFFFAOYSA-N 0 0 327.413 2.350 40 0 EEABRN CN(C(=O)CCn1cc(Br)ccc1=O)c1nccs1 ZINC000079049859 463184052 /nfs/dbraw/zinc/18/40/52/463184052.db2.gz GHQIMAYOFGRYLF-UHFFFAOYSA-N 0 0 342.218 2.120 40 0 EEABRN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)on1 ZINC000079065088 463185354 /nfs/dbraw/zinc/18/53/54/463185354.db2.gz BYNDYPPLFLZXIO-GJZGRUSLSA-N 0 0 331.416 2.295 40 0 EEABRN COc1cccc(CN2CCOC3(CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000096158878 463191371 /nfs/dbraw/zinc/19/13/71/463191371.db2.gz MCDLMQIECIXXIF-UHFFFAOYSA-N 0 0 344.455 2.299 40 0 EEABRN O=C(c1cnccn1)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCc1cccnc1 ZINC000096183005 463194629 /nfs/dbraw/zinc/19/46/29/463194629.db2.gz QGBNPPSMVSMLSO-SOLBZPMBSA-N 0 0 338.411 2.329 40 0 EEABRN CN(Cc1cn2c(n1)CN(Cc1ccncc1)CC2)Cc1cccnc1 ZINC000096197487 463203393 /nfs/dbraw/zinc/20/33/93/463203393.db2.gz JTCZUAZNIPNHRQ-UHFFFAOYSA-N 0 0 348.454 2.321 40 0 EEABRN Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)CC2 ZINC000079309503 463205429 /nfs/dbraw/zinc/20/54/29/463205429.db2.gz RVHOTWGSYNAZIN-QFBILLFUSA-N 0 0 335.407 2.499 40 0 EEABRN Cc1nnc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)[nH]1 ZINC000079310180 463205434 /nfs/dbraw/zinc/20/54/34/463205434.db2.gz YZJDQAYMIQRTMY-UHFFFAOYSA-N 0 0 337.383 2.326 40 0 EEABRN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000079331079 463207472 /nfs/dbraw/zinc/20/74/72/463207472.db2.gz HQTKDBBZMICYFF-OAHLLOKOSA-N 0 0 331.441 2.455 40 0 EEABRN O=C(C[C@@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207777 463210052 /nfs/dbraw/zinc/21/00/52/463210052.db2.gz FKVOCMMSUOHNOD-AEGPPILISA-N 0 0 347.440 2.032 40 0 EEABRN O=C([O-])C[N@H+](C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391617 463210508 /nfs/dbraw/zinc/21/05/08/463210508.db2.gz BLOICDLZVSKERK-INIZCTEOSA-N 0 0 332.400 2.337 40 0 EEABRN c1csc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC000096208949 463211548 /nfs/dbraw/zinc/21/15/48/463211548.db2.gz MSJYLUPLXSZVLL-CQSZACIVSA-N 0 0 341.440 2.446 40 0 EEABRN Cn1ccnc1CN1CC[C@@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096218862 463216945 /nfs/dbraw/zinc/21/69/45/463216945.db2.gz VZYDSRBYCRIYAR-FUHWJXTLSA-N 0 0 330.407 2.405 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)cn1 ZINC000096220328 463218171 /nfs/dbraw/zinc/21/81/71/463218171.db2.gz GVBCXDOAYBVBRV-INIZCTEOSA-N 0 0 340.427 2.302 40 0 EEABRN Cc1cnc(N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222512 463218638 /nfs/dbraw/zinc/21/86/38/463218638.db2.gz SGFDXJALMWZTFJ-FUHWJXTLSA-N 0 0 326.400 2.387 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000096222865 463219673 /nfs/dbraw/zinc/21/96/73/463219673.db2.gz OQAOSXNQENLYQM-APWZRJJASA-N 0 0 340.427 2.296 40 0 EEABRN Cn1cncc1CN1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226274 463221430 /nfs/dbraw/zinc/22/14/30/463221430.db2.gz OSFDVEUFJJYHNF-LJQANCHMSA-N 0 0 344.434 2.431 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227571 463222262 /nfs/dbraw/zinc/22/22/62/463222262.db2.gz AJBVVFHWDJNHNZ-VQIMIIECSA-N 0 0 342.443 2.062 40 0 EEABRN O=C(Nc1cccc(F)c1)[C@@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 ZINC000096239510 463224665 /nfs/dbraw/zinc/22/46/65/463224665.db2.gz BRDILDMMBCRLGO-AWEZNQCLSA-N 0 0 344.342 2.431 40 0 EEABRN O=C(C1CCC1)N1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244123 463225754 /nfs/dbraw/zinc/22/57/54/463225754.db2.gz DQZGKUPUJGWKLD-IBGZPJMESA-N 0 0 342.443 2.099 40 0 EEABRN O=C(c1ccco1)N1CCc2ncnc(Oc3cccnc3)c2CC1 ZINC000096255664 463228367 /nfs/dbraw/zinc/22/83/67/463228367.db2.gz UVPAXUATWTXCIE-UHFFFAOYSA-N 0 0 336.351 2.498 40 0 EEABRN CN1CCCc2sc(C(=O)N3CCN(c4ccccc4)CC3)nc21 ZINC000096264611 463231837 /nfs/dbraw/zinc/23/18/37/463231837.db2.gz PGXLDHFYTFCMLR-UHFFFAOYSA-N 0 0 342.468 2.488 40 0 EEABRN Cn1cc([C@@H]2NC(=O)CN2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000096405735 463239129 /nfs/dbraw/zinc/23/91/29/463239129.db2.gz NTTLXNHHPQLJSC-LJQANCHMSA-N 0 0 333.395 2.113 40 0 EEABRN C[C@@H](NC(=O)/C=C/c1csc(Br)c1)C(=O)N(C)C ZINC000096407575 463240689 /nfs/dbraw/zinc/24/06/89/463240689.db2.gz OAJCTADHINGENC-WTSVBCDHSA-N 0 0 331.235 2.117 40 0 EEABRN Cc1ccoc1C(=O)NCCCNC(=O)Cc1noc2ccccc21 ZINC000096414000 463246294 /nfs/dbraw/zinc/24/62/94/463246294.db2.gz HDSKFGFRUCNCRS-UHFFFAOYSA-N 0 0 341.367 2.208 40 0 EEABRN O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCCCCCC1 ZINC000054610444 463248368 /nfs/dbraw/zinc/24/83/68/463248368.db2.gz KVYYDJYOAKYSBR-UHFFFAOYSA-N 0 0 329.400 2.145 40 0 EEABRN Cc1nc(CN[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)no1 ZINC000136680346 463253092 /nfs/dbraw/zinc/25/30/92/463253092.db2.gz BOICFBCNWWUBSF-GFCCVEGCSA-N 0 0 338.293 2.394 40 0 EEABRN O=C(CC[C@@H]1CCCO1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000096423042 463253624 /nfs/dbraw/zinc/25/36/24/463253624.db2.gz JNKSHUZEOAXLOH-ZDUSSCGKSA-N 0 0 346.456 2.299 40 0 EEABRN Cc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CC4)on3)C2=O)cc1 ZINC000096423914 463254245 /nfs/dbraw/zinc/25/42/45/463254245.db2.gz JLEUGHPGTBLKRN-CQSZACIVSA-N 0 0 325.368 2.396 40 0 EEABRN C[C@H](c1cccnc1)N1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424293 463255065 /nfs/dbraw/zinc/25/50/65/463255065.db2.gz WTMRDEQMGGAUET-KDOFPFPSSA-N 0 0 342.418 2.126 40 0 EEABRN COc1cccc(F)c1[C@H](C)NC(=O)c1ccnc(-n2cncn2)c1 ZINC000096425678 463255470 /nfs/dbraw/zinc/25/54/70/463255470.db2.gz HBDKOXBENJEEKS-NSHDSACASA-N 0 0 341.346 2.301 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000096427748 463256675 /nfs/dbraw/zinc/25/66/75/463256675.db2.gz AMINNPIKYJKYBQ-SECBINFHSA-N 0 0 347.362 2.284 40 0 EEABRN CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000096427961 463258145 /nfs/dbraw/zinc/25/81/45/463258145.db2.gz RXTRPCFWUZDFHB-UHFFFAOYSA-N 0 0 326.462 2.129 40 0 EEABRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@H](C)C2)s1 ZINC000096428034 463258335 /nfs/dbraw/zinc/25/83/35/463258335.db2.gz ATVDOMIELISVRR-YPMHNXCESA-N 0 0 330.475 2.159 40 0 EEABRN C[C@H](CNC(=O)c1csnn1)Oc1cccc(Br)c1 ZINC000096431858 463261245 /nfs/dbraw/zinc/26/12/45/463261245.db2.gz WUPORLDZUGZGIA-MRVPVSSYSA-N 0 0 342.218 2.498 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cn1 ZINC000096432144 463261326 /nfs/dbraw/zinc/26/13/26/463261326.db2.gz MSEIORUSGLLXMI-KZNAEPCWSA-N 0 0 335.407 2.277 40 0 EEABRN Nn1c(SCc2noc3c2CCCC3)nnc1[C@H]1CCCCO1 ZINC000096436708 463264454 /nfs/dbraw/zinc/26/44/54/463264454.db2.gz SFILGZHQLUZSQV-CYBMUJFWSA-N 0 0 335.433 2.393 40 0 EEABRN Cc1ccc(-n2ccnc2)c(C(=O)NCCOC[C@H]2CCCO2)c1 ZINC000096436558 463264554 /nfs/dbraw/zinc/26/45/54/463264554.db2.gz PNDGAWYRYIXUHR-OAHLLOKOSA-N 0 0 329.400 2.106 40 0 EEABRN Cc1ccc(C)c([C@@H]2CN(CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441486 463266795 /nfs/dbraw/zinc/26/67/95/463266795.db2.gz FLOGBWIYGTXXAV-WBVHZDCISA-N 0 0 330.428 2.214 40 0 EEABRN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cccc(Cl)n1 ZINC000096441377 463267585 /nfs/dbraw/zinc/26/75/85/463267585.db2.gz OOYNVPFMALOGNZ-ZDUSSCGKSA-N 0 0 331.869 2.029 40 0 EEABRN COc1c(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)c(C)nn1C ZINC000096442401 463268748 /nfs/dbraw/zinc/26/87/48/463268748.db2.gz DKJJLQBLOJKHGZ-CQSZACIVSA-N 0 0 329.400 2.420 40 0 EEABRN CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccsc3)c2)CC1 ZINC000096445164 463269500 /nfs/dbraw/zinc/26/95/00/463269500.db2.gz YLJQQMODAKXJOJ-UHFFFAOYSA-N 0 0 343.452 2.317 40 0 EEABRN Cc1nc(S(=O)(=O)CC(=O)N([C@@H](C)C2CC2)C2CC2)sc1C ZINC000096451881 463273007 /nfs/dbraw/zinc/27/30/07/463273007.db2.gz OTLRFPRRKKQQII-JTQLQIEISA-N 0 0 342.486 2.323 40 0 EEABRN COCC[C@H](C)NC(=O)Cc1cccc(I)c1 ZINC000096472336 463279187 /nfs/dbraw/zinc/27/91/87/463279187.db2.gz SMNJQFZRQKJVFW-JTQLQIEISA-N 0 0 347.196 2.375 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000096484524 463282234 /nfs/dbraw/zinc/28/22/34/463282234.db2.gz ZDVJGKFIUWJEHZ-OCCSQVGLSA-N 0 0 327.384 2.380 40 0 EEABRN CN1CC[C@@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486558 463284101 /nfs/dbraw/zinc/28/41/01/463284101.db2.gz UKVDAYMAARCMQK-WBVHZDCISA-N 0 0 334.370 2.113 40 0 EEABRN C[C@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)N1CCSCC1 ZINC000096486915 463285174 /nfs/dbraw/zinc/28/51/74/463285174.db2.gz ZEBJMBBADHDHQP-ZBFHGGJFSA-N 0 0 338.473 2.225 40 0 EEABRN CCOC(=O)N1CCC(N[C@@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000096494293 463287906 /nfs/dbraw/zinc/28/79/06/463287906.db2.gz YHGWSKNPCPHZJQ-MRXNPFEDSA-N 0 0 343.431 2.413 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000096499739 463290347 /nfs/dbraw/zinc/29/03/47/463290347.db2.gz ITEWWAVGPPMYKV-HNNXBMFYSA-N 0 0 342.447 2.156 40 0 EEABRN Cn1cc(CNC(=O)NC[C@@]2(C)CCCO2)c(-c2ccccc2)n1 ZINC000096501282 463291269 /nfs/dbraw/zinc/29/12/69/463291269.db2.gz TZDFHHSFUWHYOA-GOSISDBHSA-N 0 0 328.416 2.455 40 0 EEABRN CC[C@](Br)([C@@H](O)c1cccc(F)c1)S(C)(=O)=O ZINC000096521548 463293981 /nfs/dbraw/zinc/29/39/81/463293981.db2.gz MLVOHIHDOPNVBR-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H]1Cc3ccccc31)CC2 ZINC000097100634 463324063 /nfs/dbraw/zinc/32/40/63/463324063.db2.gz IIGCCPYLOJSSBO-RYQLBKOJSA-N 0 0 344.455 2.288 40 0 EEABRN CC(C)N1CC[C@H](NC(=O)NCCc2nc3ccccc3s2)C1=O ZINC000080670445 463345315 /nfs/dbraw/zinc/34/53/15/463345315.db2.gz SEYCGGWHEPOHDH-ZDUSSCGKSA-N 0 0 346.456 2.147 40 0 EEABRN COc1cccc([C@H](C)N2CCN(CCc3nnc(N)s3)CC2)c1 ZINC000097373526 463355642 /nfs/dbraw/zinc/35/56/42/463355642.db2.gz ZDWXCJBJTPMUMD-ZDUSSCGKSA-N 0 0 347.488 2.050 40 0 EEABRN Cn1ncc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1N ZINC000097376261 463356459 /nfs/dbraw/zinc/35/64/59/463356459.db2.gz ZOIKPXHKSBEFDC-UHFFFAOYSA-N 0 0 335.411 2.282 40 0 EEABRN Cc1nnc([C@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)o1 ZINC000080925741 463368088 /nfs/dbraw/zinc/36/80/88/463368088.db2.gz RQXPIJHJCXNSQY-GXTWGEPZSA-N 0 0 329.404 2.493 40 0 EEABRN COc1ccc(OC)c(C(=O)CSc2nnc3ncccn32)c1 ZINC000035313728 463430932 /nfs/dbraw/zinc/43/09/32/463430932.db2.gz CVWRORAKTYWSNG-UHFFFAOYSA-N 0 0 330.369 2.117 40 0 EEABRN Cc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c(C)c1 ZINC000038754543 463448766 /nfs/dbraw/zinc/44/87/66/463448766.db2.gz RHBBMTSVCVQVLD-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000038862601 463449049 /nfs/dbraw/zinc/44/90/49/463449049.db2.gz RTCJNKVHLOPRPF-UHFFFAOYSA-N 0 0 341.411 2.347 40 0 EEABRN CCOC(=O)c1cc(I)c(OC)cc1OC ZINC000039951661 463452179 /nfs/dbraw/zinc/45/21/79/463452179.db2.gz YUATYDAPORMTIQ-UHFFFAOYSA-N 0 0 336.125 2.485 40 0 EEABRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cnc2ccccn2c1=O ZINC000040488616 463456779 /nfs/dbraw/zinc/45/67/79/463456779.db2.gz GKQHYMKYSKAOEO-UHFFFAOYSA-N 0 0 348.362 2.295 40 0 EEABRN O=S(=O)(c1cncc(Br)c1Cl)N1CCCC1 ZINC000072210956 463481865 /nfs/dbraw/zinc/48/18/65/463481865.db2.gz DQUHOJZFMJMHMC-UHFFFAOYSA-N 0 0 325.615 2.282 40 0 EEABRN CCCN(CCC)S(=O)(=O)c1cncc(Br)c1N ZINC000072210857 463482526 /nfs/dbraw/zinc/48/25/26/463482526.db2.gz VJCLNBRQYYPLOM-UHFFFAOYSA-N 0 0 336.255 2.237 40 0 EEABRN CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000072228080 463484015 /nfs/dbraw/zinc/48/40/15/463484015.db2.gz GQSLLKBRBRASEN-IAGOWNOFSA-N 0 0 326.352 2.229 40 0 EEABRN Cc1nccc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)n1 ZINC000084796468 463633089 /nfs/dbraw/zinc/63/30/89/463633089.db2.gz QFFNLIDEEICBIR-UHFFFAOYSA-N 0 0 329.747 2.376 40 0 EEABRN Cc1cc(CNC(=O)Cn2ncc(=O)c3ccccc32)ccc1F ZINC000044892764 463699057 /nfs/dbraw/zinc/69/90/57/463699057.db2.gz GVIBVZOFWCDXAT-UHFFFAOYSA-N 0 0 325.343 2.160 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000193620399 463720966 /nfs/dbraw/zinc/72/09/66/463720966.db2.gz XQGKAOJZNQXHQK-CVEARBPZSA-N 0 0 337.391 2.393 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1nc(C)cc(C)n1 ZINC000257228859 463757997 /nfs/dbraw/zinc/75/79/97/463757997.db2.gz FVOJVKLUDGNTOO-INIZCTEOSA-N 0 0 340.431 2.169 40 0 EEABRN O=C(CCCn1ccnc1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257283644 463761932 /nfs/dbraw/zinc/76/19/32/463761932.db2.gz OZESUINGVXILAO-OAHLLOKOSA-N 0 0 329.404 2.011 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257287681 463762873 /nfs/dbraw/zinc/76/28/73/463762873.db2.gz PRBNLANCIAEGCA-GFCCVEGCSA-N 0 0 332.404 2.185 40 0 EEABRN Cc1ccc(CC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)s1 ZINC000257286828 463763106 /nfs/dbraw/zinc/76/31/06/463763106.db2.gz PNGADEWSWWVYQU-GOSISDBHSA-N 0 0 345.468 2.142 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]21 ZINC000257300894 463769199 /nfs/dbraw/zinc/76/91/99/463769199.db2.gz RWCISKSVVSLELR-ZWKOTPCHSA-N 0 0 344.455 2.485 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257304569 463770362 /nfs/dbraw/zinc/77/03/62/463770362.db2.gz SMGSCMPUNATTJN-IEBWSBKVSA-N 0 0 348.443 2.212 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@@H]2CCCN(c3cnccn3)C2)n1C ZINC000257308226 463772452 /nfs/dbraw/zinc/77/24/52/463772452.db2.gz TVXSWIGKYIZMLK-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN C[C@@]1(c2nccc(CN(CCO)Cc3ccccc3)n2)CCCO1 ZINC000257314824 463774779 /nfs/dbraw/zinc/77/47/79/463774779.db2.gz UYQGVXMCCWVSSE-IBGZPJMESA-N 0 0 327.428 2.497 40 0 EEABRN CCn1nc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)cc1C ZINC000257319240 463776542 /nfs/dbraw/zinc/77/65/42/463776542.db2.gz VRLVJTCRWJJMHM-KRWDZBQOSA-N 0 0 342.443 2.349 40 0 EEABRN Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCn3ccnc3)C2)n1 ZINC000257339047 463784638 /nfs/dbraw/zinc/78/46/38/463784638.db2.gz YZZKYWPPOHLWLQ-MRXNPFEDSA-N 0 0 327.432 2.104 40 0 EEABRN CCCn1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 ZINC000257341203 463785795 /nfs/dbraw/zinc/78/57/95/463785795.db2.gz ZJIBAFTYZDIKLB-HNNXBMFYSA-N 0 0 329.404 2.255 40 0 EEABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257343198 463788017 /nfs/dbraw/zinc/78/80/17/463788017.db2.gz ZRWPTRGCNBEWJL-HNNXBMFYSA-N 0 0 348.472 2.075 40 0 EEABRN Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000260723341 463791612 /nfs/dbraw/zinc/79/16/12/463791612.db2.gz XTRFYDKKJQXXEO-TZMCWYRMSA-N 0 0 349.504 2.487 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260895000 463791935 /nfs/dbraw/zinc/79/19/35/463791935.db2.gz HFPAWRWTUWTZFK-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN COC(=O)[C@H]1C[C@@H](O)CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000185500037 463833903 /nfs/dbraw/zinc/83/39/03/463833903.db2.gz UWDDWVZZHVASPU-ZIAGYGMSSA-N 0 0 336.388 2.057 40 0 EEABRN COc1cccc(C(=O)N2CCNC[C@H]2c2ccccc2OC)c1 ZINC000261720993 463839035 /nfs/dbraw/zinc/83/90/35/463839035.db2.gz FDAKYPZJAMJSFZ-KRWDZBQOSA-N 0 0 326.396 2.491 40 0 EEABRN Cn1cnc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000179368405 464121347 /nfs/dbraw/zinc/12/13/47/464121347.db2.gz ADDSMNROZGFUDC-KRWDZBQOSA-N 0 0 348.406 2.400 40 0 EEABRN Cc1nc(SCCNS(=O)(=O)c2c(C)cc(C)cc2C)n[nH]1 ZINC000222974348 464135827 /nfs/dbraw/zinc/13/58/27/464135827.db2.gz QDQQVEYOKXCMIV-UHFFFAOYSA-N 0 0 340.474 2.109 40 0 EEABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 ZINC000223075301 464135869 /nfs/dbraw/zinc/13/58/69/464135869.db2.gz CAEGIJREBJHQAS-JKSUJKDBSA-N 0 0 330.457 2.429 40 0 EEABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C ZINC000223572959 464143254 /nfs/dbraw/zinc/14/32/54/464143254.db2.gz ATTVRGIWZCHJQW-HZPDHXFCSA-N 0 0 330.457 2.002 40 0 EEABRN CSc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(C)=O ZINC000225112222 464152985 /nfs/dbraw/zinc/15/29/85/464152985.db2.gz MTFYUSXMOHIMBD-UHFFFAOYSA-N 0 0 340.426 2.438 40 0 EEABRN CC(C)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225233971 464153830 /nfs/dbraw/zinc/15/38/30/464153830.db2.gz DUSGAMBPUSPNQO-GFCCVEGCSA-N 0 0 336.457 2.309 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225235053 464154908 /nfs/dbraw/zinc/15/49/08/464154908.db2.gz PMBUAVQXCAPMPU-HUUCEWRRSA-N 0 0 338.473 2.248 40 0 EEABRN COc1cccc(O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000225266310 464156142 /nfs/dbraw/zinc/15/61/42/464156142.db2.gz PAKFPHCWEMPWLD-CZUORRHYSA-N 0 0 343.379 2.419 40 0 EEABRN COc1ccccc1O[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225270363 464156382 /nfs/dbraw/zinc/15/63/82/464156382.db2.gz LBMIWGRSLBRLGV-KBPBESRZSA-N 0 0 343.379 2.419 40 0 EEABRN Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)nn1C ZINC000225476134 464164256 /nfs/dbraw/zinc/16/42/56/464164256.db2.gz JFKIQEPHEWJZHF-UHFFFAOYSA-N 0 0 345.378 2.045 40 0 EEABRN Cc1oc(C(C)C)cc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000225491459 464165280 /nfs/dbraw/zinc/16/52/80/464165280.db2.gz QULAOXBISOLVLG-OAHLLOKOSA-N 0 0 334.416 2.175 40 0 EEABRN CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cncc(C)c3)CC2)c1=N ZINC000225500828 464166421 /nfs/dbraw/zinc/16/64/21/464166421.db2.gz WNAONXNHTSSRKM-UHFFFAOYSA-N 0 0 343.431 2.013 40 0 EEABRN CCC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC ZINC000225495282 464166789 /nfs/dbraw/zinc/16/67/89/464166789.db2.gz TXVIPRRHAMIIGC-SNVBAGLBSA-N 0 0 327.222 2.322 40 0 EEABRN COc1cncc(O[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000225497437 464166933 /nfs/dbraw/zinc/16/69/33/464166933.db2.gz NNPFZCYJSYFRCL-LBPRGKRZSA-N 0 0 333.413 2.159 40 0 EEABRN CN(CC(=O)N1CCOCC1)Cc1cnc(-c2cccs2)s1 ZINC000179676730 464172639 /nfs/dbraw/zinc/17/26/39/464172639.db2.gz GHHAEZKZANXQFX-UHFFFAOYSA-N 0 0 337.470 2.162 40 0 EEABRN CNc1nc(C)cc(C(=O)Nc2cccc(OCCCOC)c2)n1 ZINC000225561886 464172674 /nfs/dbraw/zinc/17/26/74/464172674.db2.gz CTMMTXCNIYVOST-UHFFFAOYSA-N 0 0 330.388 2.494 40 0 EEABRN O=S(=O)(NCCCc1cnoc1)c1ccccc1Br ZINC000240122668 464445721 /nfs/dbraw/zinc/44/57/21/464445721.db2.gz WGIGDDFSRKWBSW-UHFFFAOYSA-N 0 0 345.218 2.348 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000189061706 464425360 /nfs/dbraw/zinc/42/53/60/464425360.db2.gz JOHZSNFAYWBZHG-PEBXRYMYSA-N 0 0 340.514 2.472 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238830085 464438132 /nfs/dbraw/zinc/43/81/32/464438132.db2.gz FRTZHDXJIVWJBZ-ZETCQYMHSA-N 0 0 332.307 2.483 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000245344007 464471335 /nfs/dbraw/zinc/47/13/35/464471335.db2.gz WXJDANJWVHAQRA-VHDGCEQUSA-N 0 0 338.398 2.295 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCCc2cscn2)n1 ZINC000190326632 464621074 /nfs/dbraw/zinc/62/10/74/464621074.db2.gz JXUINVZGPSNBED-LBPRGKRZSA-N 0 0 338.458 2.234 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1nccs1)c1ccco1 ZINC000247470448 464682668 /nfs/dbraw/zinc/68/26/68/464682668.db2.gz FGBDWEMQSSHFIW-XEZPLFJOSA-N 0 0 347.440 2.146 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000247885463 464712064 /nfs/dbraw/zinc/71/20/64/464712064.db2.gz WZGBPRFETYXGCA-CQSZACIVSA-N 0 0 330.409 2.383 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000247891023 464713491 /nfs/dbraw/zinc/71/34/91/464713491.db2.gz YLWHIJPIRXPERO-OAHLLOKOSA-N 0 0 348.468 2.364 40 0 EEABRN Cc1ccc(N2CC3(C2)OCC[C@@H]3CCOc2ncccc2F)nn1 ZINC000247896356 464713873 /nfs/dbraw/zinc/71/38/73/464713873.db2.gz HPDBDEADJZQEPP-AWEZNQCLSA-N 0 0 344.390 2.384 40 0 EEABRN C[C@@H](c1nnnn1C1CC1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000191961245 464835245 /nfs/dbraw/zinc/83/52/45/464835245.db2.gz CRPLEHAIHQPJQX-NSHDSACASA-N 0 0 346.460 2.025 40 0 EEABRN CCOC(=O)c1csc(C2CCN(C(=O)c3cn[nH]c3)CC2)n1 ZINC000192262750 464896178 /nfs/dbraw/zinc/89/61/78/464896178.db2.gz ZXCGYEKBCNAMBR-UHFFFAOYSA-N 0 0 334.401 2.063 40 0 EEABRN CNC(=O)C[C@H](NC(=O)c1cccnc1OC(C)C)c1ccccc1 ZINC000252483184 464961999 /nfs/dbraw/zinc/96/19/99/464961999.db2.gz DWVDZHZELJEIMO-INIZCTEOSA-N 0 0 341.411 2.476 40 0 EEABRN NC(=O)[C@H]1CCCN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000252483382 464962528 /nfs/dbraw/zinc/96/25/28/464962528.db2.gz DZZGRYUOXZAYGM-LBPRGKRZSA-N 0 0 335.379 2.344 40 0 EEABRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(N)(=O)=O ZINC000252489323 464966005 /nfs/dbraw/zinc/96/60/05/464966005.db2.gz JOEYMBDSUXBIPQ-UHFFFAOYSA-N 0 0 336.257 2.360 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2ccnnc2)[C@H](C)C1 ZINC000252497978 464969932 /nfs/dbraw/zinc/96/99/32/464969932.db2.gz QSTSSNMEUSNSMQ-OAHLLOKOSA-N 0 0 340.427 2.222 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000252510139 464974951 /nfs/dbraw/zinc/97/49/51/464974951.db2.gz ZCDQGQVBNXHDBR-ZYHUDNBSSA-N 0 0 336.379 2.058 40 0 EEABRN CC(C)COCCN1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000252508181 464974998 /nfs/dbraw/zinc/97/49/98/464974998.db2.gz XFRSOVYZPQJIMY-UHFFFAOYSA-N 0 0 337.439 2.054 40 0 EEABRN Cc1ccc([C@@H]2CCCN2C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1C ZINC000252584603 464984498 /nfs/dbraw/zinc/98/44/98/464984498.db2.gz BLGRIDCVSTWMDE-JCGIZDLHSA-N 0 0 344.455 2.243 40 0 EEABRN O=C(NCC1CC1)C1(NCc2ncnn2-c2ccccc2)CCCC1 ZINC000253397360 465000928 /nfs/dbraw/zinc/00/09/28/465000928.db2.gz XILLMTYHYCCVQV-UHFFFAOYSA-N 0 0 339.443 2.196 40 0 EEABRN C[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1nccs1 ZINC000253416484 465004972 /nfs/dbraw/zinc/00/49/72/465004972.db2.gz FHAYQLLRDPUUMU-NSHDSACASA-N 0 0 335.408 2.270 40 0 EEABRN CC[C@H](NC1CCN(Cc2ccc(F)c(F)c2)CC1)C(=O)OC ZINC000192837341 465008398 /nfs/dbraw/zinc/00/83/98/465008398.db2.gz ICPBSHSOWMAKTE-INIZCTEOSA-N 0 0 326.387 2.470 40 0 EEABRN CCOc1cc(C)ccc1CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000253429450 465012371 /nfs/dbraw/zinc/01/23/71/465012371.db2.gz SDVFOUDHWFCMSX-HNAYVOBHSA-N 0 0 348.443 2.483 40 0 EEABRN CCc1nnc([C@H]2CN(C(=O)c3cccc4cnccc43)CCO2)[nH]1 ZINC000329800784 465437869 /nfs/dbraw/zinc/43/78/69/465437869.db2.gz IUNLWKLWVSCYBM-OAHLLOKOSA-N 0 0 337.383 2.129 40 0 EEABRN O=C(C1=CCCCC1)N1CC2(C1)CC[C@@H](CNc1ncccn1)CO2 ZINC000306124532 466486630 /nfs/dbraw/zinc/48/66/30/466486630.db2.gz BSWPSBNWVAQYPX-HNNXBMFYSA-N 0 0 342.443 2.397 40 0 EEABRN O=C(NCc1cccnc1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 ZINC000306138557 466494212 /nfs/dbraw/zinc/49/42/12/466494212.db2.gz SAUIKGUOIVFOBE-BZSNNMDCSA-N 0 0 345.443 2.340 40 0 EEABRN CCC1(CC)CCCN(C(=O)c2cnn(C)c2S(C)(=O)=O)CC1 ZINC000390834121 467414061 /nfs/dbraw/zinc/41/40/61/467414061.db2.gz SISDYFIVSCKRFJ-UHFFFAOYSA-N 0 0 341.477 2.256 40 0 EEABRN O=C(NCCn1cc(-c2ccncc2)cn1)c1noc2c1CCCC2 ZINC000575613263 468148382 /nfs/dbraw/zinc/14/83/82/468148382.db2.gz YNPUZMVRYDPVGJ-UHFFFAOYSA-N 0 0 337.383 2.242 40 0 EEABRN Cc1occc1C(=O)N1Cc2ncn(C)c2C[C@H]1COCC1CC1 ZINC000585094819 468963020 /nfs/dbraw/zinc/96/30/20/468963020.db2.gz NXRHCYDBAAJKGU-AWEZNQCLSA-N 0 0 329.400 2.315 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@@H]2C ZINC000585096686 468964576 /nfs/dbraw/zinc/96/45/76/468964576.db2.gz AGMRORQLHQVTNF-GFCCVEGCSA-N 0 0 332.379 2.100 40 0 EEABRN CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 ZINC000585096079 468964752 /nfs/dbraw/zinc/96/47/52/468964752.db2.gz ZINZHFQZYKGXTC-CQSZACIVSA-N 0 0 346.456 2.335 40 0 EEABRN C[C@@H]1c2ncc(CCOc3ccncc3)n2CCN1Cc1cn[nH]c1 ZINC000585097458 468965106 /nfs/dbraw/zinc/96/51/06/468965106.db2.gz KEHDFSITGHBWML-CQSZACIVSA-N 0 0 338.415 2.200 40 0 EEABRN Cc1cncc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c1 ZINC000585099139 468967064 /nfs/dbraw/zinc/96/70/64/468967064.db2.gz PDKOXDZFWQOCCW-KRWDZBQOSA-N 0 0 326.400 2.038 40 0 EEABRN CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101285 468968611 /nfs/dbraw/zinc/96/86/11/468968611.db2.gz VAURMSJWNCBJNA-GOSISDBHSA-N 0 0 330.432 2.059 40 0 EEABRN Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC000585101922 468970535 /nfs/dbraw/zinc/97/05/35/468970535.db2.gz LNACGJCLUWLICF-WMZOPIPTSA-N 0 0 333.432 2.037 40 0 EEABRN O=C(Cc1cccc(F)c1F)N1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000585107680 468971955 /nfs/dbraw/zinc/97/19/55/468971955.db2.gz RYKZBJKIDRWIBW-GJZGRUSLSA-N 0 0 334.366 2.119 40 0 EEABRN Cc1nc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cs1 ZINC000585110626 468973493 /nfs/dbraw/zinc/97/34/93/468973493.db2.gz ODTHKLGQYZGJAC-AWEZNQCLSA-N 0 0 343.452 2.311 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111151 468975065 /nfs/dbraw/zinc/97/50/65/468975065.db2.gz GSZWOFOTEICLFV-KBRIMQKVSA-N 0 0 325.412 2.317 40 0 EEABRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000585140577 468988622 /nfs/dbraw/zinc/98/86/22/468988622.db2.gz HDSGCUBUJVOVRE-CYBMUJFWSA-N 0 0 327.306 2.462 40 0 EEABRN Cc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCCCC1 ZINC000585140878 468990674 /nfs/dbraw/zinc/99/06/74/468990674.db2.gz KTQXUONGEBFYBH-UHFFFAOYSA-N 0 0 331.338 2.410 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3ncccc3C)C2)cc1 ZINC000585269011 468997898 /nfs/dbraw/zinc/99/78/98/468997898.db2.gz HKHHACWIWQAIML-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN Cc1noc(CCC(=O)N2CC[C@@H](O)[C@H](Cc3ccc(C)cc3)C2)n1 ZINC000585275645 468998489 /nfs/dbraw/zinc/99/84/89/468998489.db2.gz FMVURMSLGCIZBI-IAGOWNOFSA-N 0 0 343.427 2.071 40 0 EEABRN O=C(Cn1ccc(C2CC2)n1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275722 468998521 /nfs/dbraw/zinc/99/85/21/468998521.db2.gz ISIPLTIYXLIBTO-OALUTQOASA-N 0 0 339.439 2.355 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(C(=O)CC3CCC3)C2)c1 ZINC000585276177 469000342 /nfs/dbraw/zinc/00/03/42/469000342.db2.gz MQHQXRKBWHNHGI-LJQANCHMSA-N 0 0 333.428 2.154 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2nccn2C)C1 ZINC000585279285 469004066 /nfs/dbraw/zinc/00/40/66/469004066.db2.gz YWEMDSWZUZDGGH-SFHVURJKSA-N 0 0 329.400 2.039 40 0 EEABRN CNc1cnc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](OC)C2)nc1 ZINC000585279966 469006323 /nfs/dbraw/zinc/00/63/23/469006323.db2.gz UQRCLDVINJTNKU-WBVHZDCISA-N 0 0 340.427 2.238 40 0 EEABRN Cc1ccc2cc(CNC(=O)c3nn(C)c4c3CCC4)c(=O)[nH]c2c1 ZINC000585293899 469010732 /nfs/dbraw/zinc/01/07/32/469010732.db2.gz BQPLWLADMVRVFX-UHFFFAOYSA-N 0 0 336.395 2.401 40 0 EEABRN CCc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)nc(C)n1 ZINC000607858837 469717471 /nfs/dbraw/zinc/71/74/71/469717471.db2.gz TVYDEMQLBXLUJS-ZDUSSCGKSA-N 0 0 330.432 2.467 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1CO ZINC000187923639 534316278 /nfs/dbraw/zinc/31/62/78/534316278.db2.gz PTUGZFYFFTUGQO-KOLCDFICSA-N 0 0 345.212 2.358 40 0 EEABRN COc1ccc(CNC(=O)CNC(=O)[C@@H](C)c2ccsc2)cc1 ZINC000096413801 524051650 /nfs/dbraw/zinc/05/16/50/524051650.db2.gz CQXCYLSQXJNOKW-LBPRGKRZSA-N 0 0 332.425 2.293 40 0 EEABRN CC(=O)N1CCO[C@@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000257209537 534800181 /nfs/dbraw/zinc/80/01/81/534800181.db2.gz BQUCXAMPBQCCIU-OAHLLOKOSA-N 0 0 325.434 2.017 40 0 EEABRN C[C@H](Cc1c(F)cccc1F)NC(=O)NCCOC[C@@H]1CCCO1 ZINC000096406825 524684962 /nfs/dbraw/zinc/68/49/62/524684962.db2.gz ZDQMKQOEISAQQG-OLZOCXBDSA-N 0 0 342.386 2.391 40 0 EEABRN CCCN1CCCN(C(=O)NCc2cccc3cccnc32)CC1=O ZINC000190145794 528210955 /nfs/dbraw/zinc/21/09/55/528210955.db2.gz UPNMUIRTMPNGMA-UHFFFAOYSA-N 0 0 340.427 2.389 40 0 EEABRN CCCCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224864646 535061748 /nfs/dbraw/zinc/06/17/48/535061748.db2.gz VAAOJADFPACFTE-LLVKDONJSA-N 0 0 348.415 2.426 40 0 EEABRN CN(C)Cc1c[nH]c([C@H]2CN(C(=O)c3ccccc3Cl)CCO2)n1 ZINC000257213722 536059706 /nfs/dbraw/zinc/05/97/06/536059706.db2.gz CIUTUXHZVSYUHS-OAHLLOKOSA-N 0 0 348.834 2.338 40 0 EEABRN CN(c1cc(C(=O)NCc2ccco2)ccc1Cl)S(C)(=O)=O ZINC000225972838 536488120 /nfs/dbraw/zinc/48/81/20/536488120.db2.gz KVXPESCEOBLFEW-UHFFFAOYSA-N 0 0 342.804 2.259 40 0 EEABRN CC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000006044146 1351760237 /nfs/dbraw/zinc/76/02/37/1351760237.db2.gz USRFLBZOTMPPPH-UHFFFAOYSA-N 0 0 349.394 2.464 40 0 EEABRN CN(C)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1 ZINC000003399867 1350263884 /nfs/dbraw/zinc/26/38/84/1350263884.db2.gz HRSAZMZTFODQJN-UHFFFAOYSA-N 0 0 330.359 2.365 40 0 EEABRN O=C([C@H]1CCCn2nccc21)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC000906254302 783780310 /nfs/dbraw/zinc/78/03/10/783780310.db2.gz CISGUUVPLOREPJ-VIFPVBQESA-N 0 0 332.310 2.024 40 0 EEABRN CCN(CC(=O)NC(C)C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000055176078 214284005 /nfs/dbraw/zinc/28/40/05/214284005.db2.gz KDCBDSNPDYMNHW-UHFFFAOYSA-N 0 0 332.379 2.203 40 0 EEABRN CC[C@H](C(=O)[O-])[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000191434616 529624623 /nfs/dbraw/zinc/62/46/23/529624623.db2.gz MCHAJEVZPIARIL-OAHLLOKOSA-N 0 0 329.400 2.322 40 0 EEABRN COc1ccc(NC(=O)C[C@@H]([NH2+]CCc2ccccc2)C(=O)[O-])cc1 ZINC000004280021 210159436 /nfs/dbraw/zinc/15/94/36/210159436.db2.gz JKMCMQQZLQJKQC-QGZVFWFLSA-N 0 0 342.395 2.309 40 0 EEABRN CCCCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC ZINC000013582963 201902177 /nfs/dbraw/zinc/90/21/77/201902177.db2.gz OZUUEUJRROHACZ-UHFFFAOYSA-N 0 0 328.434 2.011 40 0 EEABRN CC(C)N(C(=O)[C@H](C)n1nc(-c2ccco2)cc(N)c1=O)C(C)C ZINC000019447573 202007693 /nfs/dbraw/zinc/00/76/93/202007693.db2.gz RMQWCHSRTLIJHI-LBPRGKRZSA-N 0 0 332.404 2.292 40 0 EEABRN O=C(C1CC1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 ZINC000019292050 202003021 /nfs/dbraw/zinc/00/30/21/202003021.db2.gz OWJRXIMMCSIBDC-UHFFFAOYSA-N 0 0 339.321 2.259 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019462926 202008286 /nfs/dbraw/zinc/00/82/86/202008286.db2.gz HKTYCYAWUODPRJ-PWSUYJOCSA-N 0 0 344.440 2.255 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019579883 202013514 /nfs/dbraw/zinc/01/35/14/202013514.db2.gz RHIXKDXNVRCBSI-IBGZPJMESA-N 0 0 339.395 2.252 40 0 EEABRN COc1ccc(N2C[C@H](n3cncc3-c3cnn(C)c3)CC2=O)cc1 ZINC000019719481 202017381 /nfs/dbraw/zinc/01/73/81/202017381.db2.gz ZVCGBQDYXPHOAV-OAHLLOKOSA-N 0 0 337.383 2.270 40 0 EEABRN Cc1nn2c(ncc(C(=O)N3CCOCC3)c2C)c1-c1ccccc1 ZINC000019819374 202021944 /nfs/dbraw/zinc/02/19/44/202021944.db2.gz KEJQKQQCEKOYCK-UHFFFAOYSA-N 0 0 336.395 2.486 40 0 EEABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000020112279 202032560 /nfs/dbraw/zinc/03/25/60/202032560.db2.gz ZWNAQLVXCOLTDI-UHFFFAOYSA-N 0 0 347.440 2.206 40 0 EEABRN CCS(=O)(=O)N1c2ccc(C(=O)N3CCCCC3)cc2C[C@H]1C ZINC000020449172 202042472 /nfs/dbraw/zinc/04/24/72/202042472.db2.gz LPOCJRCITHODHF-CYBMUJFWSA-N 0 0 336.457 2.413 40 0 EEABRN CS(=O)(=O)N1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000022338747 202084507 /nfs/dbraw/zinc/08/45/07/202084507.db2.gz YBZHHEYDTHLJRA-UHFFFAOYSA-N 0 0 325.365 2.015 40 0 EEABRN O=S(=O)(CC[C@@H]1CCCO1)c1cc2c(cc1Cl)OCCO2 ZINC000188934355 236704262 /nfs/dbraw/zinc/70/42/62/236704262.db2.gz CMSCPQHEIFZXGF-JTQLQIEISA-N 0 0 332.805 2.454 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000069885639 202295434 /nfs/dbraw/zinc/29/54/34/202295434.db2.gz ALOCRFDEDSFABY-GFCCVEGCSA-N 0 0 343.445 2.043 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCCCn1ncc2ccccc21 ZINC000071196030 202342443 /nfs/dbraw/zinc/34/24/43/202342443.db2.gz ZOSOJZOAKPJUHS-UHFFFAOYSA-N 0 0 334.401 2.010 40 0 EEABRN Cc1csc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)n1 ZINC000072552427 202365554 /nfs/dbraw/zinc/36/55/54/202365554.db2.gz LXBWWGZEIAIHTI-ZDUSSCGKSA-N 0 0 335.433 2.491 40 0 EEABRN CC(C)c1nncn1CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000073146829 202368693 /nfs/dbraw/zinc/36/86/93/202368693.db2.gz LKZPXEABIGSSDL-AWEZNQCLSA-N 0 0 328.416 2.474 40 0 EEABRN CCN(CC)c1nc(C)cc(C(=O)NCc2cnn(CC)c2C)n1 ZINC000072242668 202357703 /nfs/dbraw/zinc/35/77/03/202357703.db2.gz SGMYPZWHTBWLGH-UHFFFAOYSA-N 0 0 330.436 2.086 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000072241917 202358142 /nfs/dbraw/zinc/35/81/42/202358142.db2.gz HUDRWPBJLLXEHG-FUHWJXTLSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000072264747 202358823 /nfs/dbraw/zinc/35/88/23/202358823.db2.gz ZHINGCPDTNFXMD-CHWSQXEVSA-N 0 0 336.457 2.262 40 0 EEABRN Cc1ccccc1C(=O)N[C@@H]1[C@@H](c2ccccc2C)C[C@@H](O)[C@H]1O ZINC000072321754 202364001 /nfs/dbraw/zinc/36/40/01/202364001.db2.gz QTMROYXMPCOLGZ-NCXUSEDFSA-N 0 0 325.408 2.311 40 0 biogenic,in-vitro EEABRN O=C(N[C@H]1CCC[C@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000074653841 202373554 /nfs/dbraw/zinc/37/35/54/202373554.db2.gz FBEYBSUBIHLMQW-HOTGVXAUSA-N 0 0 332.448 2.471 40 0 EEABRN COc1ccc(CC(=O)Nc2cc(N3CCCC3)ncn2)cc1OC ZINC000077197961 202385363 /nfs/dbraw/zinc/38/53/63/202385363.db2.gz PUAKEQFWWVHIPM-UHFFFAOYSA-N 0 0 342.399 2.275 40 0 EEABRN CC[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1cc(F)ccc1F ZINC000077137840 202383551 /nfs/dbraw/zinc/38/35/51/202383551.db2.gz OLXHOZJTVOXTFL-HZMBPMFUSA-N 0 0 325.359 2.323 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(C(C)C)no1 ZINC000078499913 202395930 /nfs/dbraw/zinc/39/59/30/202395930.db2.gz DRKFSJBMNQWZHU-AWEZNQCLSA-N 0 0 343.383 2.257 40 0 EEABRN Cc1nnc2ccc(N[C@H](C)c3ccc(S(C)(=O)=O)c(F)c3)nn12 ZINC000078452206 202396195 /nfs/dbraw/zinc/39/61/95/202396195.db2.gz HNQLPECYWSJMPZ-SECBINFHSA-N 0 0 349.391 2.148 40 0 EEABRN COC(=O)N1CCC[C@H](C(=O)NCCc2cccc3cccnc32)C1 ZINC000078498420 202396613 /nfs/dbraw/zinc/39/66/13/202396613.db2.gz FTXGHKOFJCDQAP-INIZCTEOSA-N 0 0 341.411 2.372 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000076377323 202387665 /nfs/dbraw/zinc/38/76/65/202387665.db2.gz KXFADWRZCUKWDC-UONOGXRCSA-N 0 0 329.849 2.355 40 0 EEABRN CCS[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000076476735 202388413 /nfs/dbraw/zinc/38/84/13/202388413.db2.gz MQFGNVWQBYVIJO-UKRRQHHQSA-N 0 0 338.477 2.176 40 0 EEABRN O=C(Nc1cccc(-n2cccn2)c1)N1CCC(n2cncn2)CC1 ZINC000078394863 202389972 /nfs/dbraw/zinc/38/99/72/202389972.db2.gz UZJQRDXSLYGLPO-UHFFFAOYSA-N 0 0 337.387 2.333 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)on1 ZINC000078333698 202390580 /nfs/dbraw/zinc/39/05/80/202390580.db2.gz OXNXVXPSQFPFTH-MZOGBMEOSA-N 0 0 327.450 2.116 40 0 EEABRN CN(C)C(=O)c1cccc(C(=O)OCCOc2cncc(Cl)n2)c1 ZINC000078411468 202392237 /nfs/dbraw/zinc/39/22/37/202392237.db2.gz LPLMOFFSJWZENU-UHFFFAOYSA-N 0 0 349.774 2.068 40 0 EEABRN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1nnc2ccccn21 ZINC000077529538 202392728 /nfs/dbraw/zinc/39/27/28/202392728.db2.gz JCXRUQIPWOTPEA-BDJLRTHQSA-N 0 0 345.428 2.059 40 0 EEABRN O=C(CNc1cccc(C(F)(F)F)c1)NCc1nncn1C1CC1 ZINC000079049433 202420448 /nfs/dbraw/zinc/42/04/48/202420448.db2.gz CJEZJFAKFWZQLA-UHFFFAOYSA-N 0 0 339.321 2.360 40 0 EEABRN COc1ccccc1C[C@@H]1CCCN1C(=O)CNCC(F)(F)F ZINC000079044837 202420681 /nfs/dbraw/zinc/42/06/81/202420681.db2.gz FWIKRFMJGVSXRM-ZDUSSCGKSA-N 0 0 330.350 2.381 40 0 EEABRN COc1cccc(SCC(=O)N2CCN(CC(F)F)CC2)c1 ZINC000079321161 202432428 /nfs/dbraw/zinc/43/24/28/202432428.db2.gz RQTCIYGCYNOHQH-UHFFFAOYSA-N 0 0 330.400 2.197 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCCN1Cc1noc(-c2ccoc2)n1 ZINC000079311669 202432763 /nfs/dbraw/zinc/43/27/63/202432763.db2.gz MVTAHVYMVNUNLL-LLVKDONJSA-N 0 0 345.384 2.389 40 0 EEABRN O=C(c1cnn(-c2ccccc2)n1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000079310463 202432930 /nfs/dbraw/zinc/43/29/30/202432930.db2.gz LZWNUIJYAULCSK-QGZVFWFLSA-N 0 0 349.394 2.488 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3nccnc3N)cc2)n1 ZINC000081741349 202486655 /nfs/dbraw/zinc/48/66/55/202486655.db2.gz FYGMIFZJSOYZPR-CYBMUJFWSA-N 0 0 336.399 2.352 40 0 EEABRN COC[C@@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)C1 ZINC000081759122 202486668 /nfs/dbraw/zinc/48/66/68/202486668.db2.gz QQZIPVINYASIEC-CQSZACIVSA-N 0 0 344.386 2.475 40 0 EEABRN COC(=O)c1cn(CC(=O)Nc2ncc(C3CCCCC3)s2)nn1 ZINC000272858881 201252871 /nfs/dbraw/zinc/25/28/71/201252871.db2.gz IQBSORMFJYMHQF-UHFFFAOYSA-N 0 0 349.416 2.208 40 0 EEABRN CCCn1c2ccccc2n(CC(=O)N[C@H](C)c2ccncc2)c1=O ZINC000044889443 202530658 /nfs/dbraw/zinc/53/06/58/202530658.db2.gz RZDKVWBUILDVGR-CQSZACIVSA-N 0 0 338.411 2.485 40 0 EEABRN COc1cc(-c2noc(-c3c(C)nn(C)c3-n3cccn3)n2)ccn1 ZINC000193207871 240059839 /nfs/dbraw/zinc/05/98/39/240059839.db2.gz GBMLVEIFKUAVKX-UHFFFAOYSA-N 0 0 337.343 2.035 40 0 EEABRN O=C(CCn1cncn1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000193434185 240163329 /nfs/dbraw/zinc/16/33/29/240163329.db2.gz QNUCYDSFQGDZGB-UHFFFAOYSA-N 0 0 346.818 2.443 40 0 EEABRN Cc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccccc1 ZINC000022274796 212287197 /nfs/dbraw/zinc/28/71/97/212287197.db2.gz ARXAHOPHRALELE-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN CSc1ncc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cn1 ZINC000218763009 241344546 /nfs/dbraw/zinc/34/45/46/241344546.db2.gz MCRPAAIEQUFISJ-HNNXBMFYSA-N 0 0 342.424 2.465 40 0 EEABRN COc1ccc(-c2c(N)c(=O)n(-c3ccc(OC)cc3)n2C)cc1 ZINC000222553711 241527129 /nfs/dbraw/zinc/52/71/29/241527129.db2.gz WOYJLDJEICHMRZ-UHFFFAOYSA-N 0 0 325.368 2.442 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1cccnc1 ZINC000222900276 241573759 /nfs/dbraw/zinc/57/37/59/241573759.db2.gz KFELZSNIELCMAG-ZDUSSCGKSA-N 0 0 329.375 2.274 40 0 EEABRN CN(c1ccc(CC(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000225980039 242084368 /nfs/dbraw/zinc/08/43/68/242084368.db2.gz QXHBRVNLWDPLEC-UHFFFAOYSA-N 0 0 344.436 2.333 40 0 EEABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCOCC3)n2)o1 ZINC000225916032 242076779 /nfs/dbraw/zinc/07/67/79/242076779.db2.gz CCTYPYJSZPEWMJ-UHFFFAOYSA-N 0 0 347.444 2.010 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000225930881 242077536 /nfs/dbraw/zinc/07/75/36/242077536.db2.gz AYIWEKUFFQXPHK-CQSZACIVSA-N 0 0 326.462 2.229 40 0 EEABRN O=C(NCCN1Cc2cc(F)ccc2OCC1=O)[C@@H]1CC=CCC1 ZINC000225770844 242029232 /nfs/dbraw/zinc/02/92/32/242029232.db2.gz OGOXJUFPSPLPER-CYBMUJFWSA-N 0 0 332.375 2.019 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)cn2)C1 ZINC000227115809 242122431 /nfs/dbraw/zinc/12/24/31/242122431.db2.gz ZKUSKOGZAOXKED-HNNXBMFYSA-N 0 0 340.427 2.249 40 0 EEABRN Cc1cccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 ZINC000226040561 242088143 /nfs/dbraw/zinc/08/81/43/242088143.db2.gz TXAWHXCRTLKOCX-UHFFFAOYSA-N 0 0 338.473 2.206 40 0 EEABRN CC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000004400736 201599488 /nfs/dbraw/zinc/59/94/88/201599488.db2.gz WBTXSYLBOXAEQH-UJRRQQMQSA-N 0 0 341.407 2.310 40 0 EEABRN O=C(Nc1ccc(F)c(Cl)c1)c1cc(N2CCOCC2)ncn1 ZINC000243218462 243023857 /nfs/dbraw/zinc/02/38/57/243023857.db2.gz KJGZQSDVZGDDKM-UHFFFAOYSA-N 0 0 336.754 2.358 40 0 EEABRN COc1cc(NC(=O)NCc2cc(C)nn2C)c(OC)c(C)c1OC ZINC000252486220 243784420 /nfs/dbraw/zinc/78/44/20/243784420.db2.gz HJQDIQPGBIWRJZ-UHFFFAOYSA-N 0 0 348.403 2.384 40 0 EEABRN O=C(NCCc1cnc(C2CC2)nc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000253413930 243927640 /nfs/dbraw/zinc/92/76/40/243927640.db2.gz TZXPZUFIEXRADY-HNNXBMFYSA-N 0 0 340.431 2.209 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)CCn2cccn2)[C@H]1c1ccc(Cl)cc1 ZINC000092504345 203084315 /nfs/dbraw/zinc/08/43/15/203084315.db2.gz ZAYFMMKJMAHAKU-WMLDXEAASA-N 0 0 346.818 2.015 40 0 EEABRN Cc1cc(NC(=O)[C@H](NC(N)=O)C(C)C)ccc1Br ZINC000040458947 203094337 /nfs/dbraw/zinc/09/43/37/203094337.db2.gz PLWKWOWIJLCGLW-LLVKDONJSA-N 0 0 328.210 2.389 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257201817 244119782 /nfs/dbraw/zinc/11/97/82/244119782.db2.gz AJDKHOTZTKVGDN-GOSISDBHSA-N 0 0 325.412 2.269 40 0 EEABRN Cc1ncc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c(C)n1 ZINC000257202251 244123280 /nfs/dbraw/zinc/12/32/80/244123280.db2.gz ALAZPQHYEIAZRE-HNNXBMFYSA-N 0 0 327.388 2.055 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218228 244174548 /nfs/dbraw/zinc/17/45/48/244174548.db2.gz DCIJAESNWBOGIC-SFHVURJKSA-N 0 0 343.427 2.038 40 0 EEABRN Cc1nc(C[C@H]2CCCN(C(=O)CC(C)(C)C)C2)cc(C(N)=O)n1 ZINC000257208237 244138893 /nfs/dbraw/zinc/13/88/93/244138893.db2.gz BLHDLVABUOFROW-CYBMUJFWSA-N 0 0 332.448 2.101 40 0 EEABRN COCCOCC(=O)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257226960 244204103 /nfs/dbraw/zinc/20/41/03/244204103.db2.gz FMZOWMZJZSDNJE-XKQJLSEDSA-N 0 0 337.391 2.105 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(Cc3ccc(C)nc3)CCN2C)c1 ZINC000257232184 244216087 /nfs/dbraw/zinc/21/60/87/244216087.db2.gz GJTCSSGMCFLQCZ-LJQANCHMSA-N 0 0 338.455 2.238 40 0 EEABRN CN(c1ccccc1)c1ccc(C[C@@H]2CCCN(C(=O)CO)C2)nn1 ZINC000072387257 203212655 /nfs/dbraw/zinc/21/26/55/203212655.db2.gz RDJQUUIPLMQJIZ-HNNXBMFYSA-N 0 0 340.427 2.018 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378326 203209184 /nfs/dbraw/zinc/20/91/84/203209184.db2.gz IYEAVUPQTYRXFQ-KRWDZBQOSA-N 0 0 347.390 2.480 40 0 EEABRN Cc1cncc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000072369418 203209281 /nfs/dbraw/zinc/20/92/81/203209281.db2.gz UAOIBQMAOVWOBZ-MRXNPFEDSA-N 0 0 331.441 2.494 40 0 EEABRN Cc1cc(N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)ncn1 ZINC000072368998 203209662 /nfs/dbraw/zinc/20/96/62/203209662.db2.gz LBNCMMGQNHRJPQ-OAHLLOKOSA-N 0 0 334.383 2.272 40 0 EEABRN CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2ccco2)CC1 ZINC000093393321 203197856 /nfs/dbraw/zinc/19/78/56/203197856.db2.gz VQCRTXGLBYNZJE-UHFFFAOYSA-N 0 0 340.367 2.068 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335240 203202335 /nfs/dbraw/zinc/20/23/35/203202335.db2.gz RHETYSSGSZYOOH-AAEUAGOBSA-N 0 0 344.440 2.406 40 0 EEABRN O=C(CO)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359757 203204768 /nfs/dbraw/zinc/20/47/68/203204768.db2.gz LWUXARINDJBXOW-CYBMUJFWSA-N 0 0 331.803 2.495 40 0 EEABRN COCCC(=O)N1CCC[C@@](C)(c2ccc3c(C)nn(C)c3n2)C1 ZINC000257246744 244257962 /nfs/dbraw/zinc/25/79/62/244257962.db2.gz IVQDMIQFFXLCQA-GOSISDBHSA-N 0 0 330.432 2.193 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cc(C)on1 ZINC000257240947 244243115 /nfs/dbraw/zinc/24/31/15/244243115.db2.gz HVVGRUFGHNZMJP-QGZVFWFLSA-N 0 0 329.400 2.397 40 0 EEABRN Cn1ccnc1-c1cnc([C@@H]2CCCN2C(=O)c2cccnc2)cn1 ZINC000257247548 244261504 /nfs/dbraw/zinc/26/15/04/244261504.db2.gz IZLMUUXBONWCJN-INIZCTEOSA-N 0 0 334.383 2.249 40 0 EEABRN Cc1ncc(-c2cc(CC3CCN(S(C)(=O)=O)CC3)ccn2)n1C ZINC000257253547 244276374 /nfs/dbraw/zinc/27/63/74/244276374.db2.gz JZIRXOOFMRGOCE-UHFFFAOYSA-N 0 0 348.472 2.005 40 0 EEABRN O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccc2c(c1)OCO2 ZINC000257255786 244280704 /nfs/dbraw/zinc/28/07/04/244280704.db2.gz KIVQLIXCFCSRGI-ZDUSSCGKSA-N 0 0 341.367 2.029 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2Cc2ccc(Cl)cn2)n1 ZINC000257259539 244293561 /nfs/dbraw/zinc/29/35/61/244293561.db2.gz KYVDEQZCNQLXCD-KRWDZBQOSA-N 0 0 345.834 2.498 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257265097 244359225 /nfs/dbraw/zinc/35/92/25/244359225.db2.gz LXIAZUPONUFVDD-KRWDZBQOSA-N 0 0 341.459 2.449 40 0 EEABRN c1c[nH]c(-c2cnc(C[C@@H]3CCN(Cc4cscn4)C3)cn2)n1 ZINC000257269477 244372292 /nfs/dbraw/zinc/37/22/92/244372292.db2.gz MQDGMEKGESMTFI-LBPRGKRZSA-N 0 0 326.429 2.388 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257270069 244374362 /nfs/dbraw/zinc/37/43/62/244374362.db2.gz MSQXNWAVBYTHRY-KRWDZBQOSA-N 0 0 325.412 2.431 40 0 EEABRN Cn1nccc1CCC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257270560 244376605 /nfs/dbraw/zinc/37/66/05/244376605.db2.gz MUSHIFDJHVPGIC-QGZVFWFLSA-N 0 0 335.411 2.333 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 ZINC000257271478 244378535 /nfs/dbraw/zinc/37/85/35/244378535.db2.gz MYMPLZKMJNHDHA-INIZCTEOSA-N 0 0 349.394 2.280 40 0 EEABRN O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257263255 244352685 /nfs/dbraw/zinc/35/26/85/244352685.db2.gz LPARFNLNVKRSFR-OXJNMPFZSA-N 0 0 335.407 2.360 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2o1 ZINC000019936351 212086539 /nfs/dbraw/zinc/08/65/39/212086539.db2.gz NJEQPVKHSBMXIO-UHFFFAOYSA-N 0 0 338.772 2.253 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257311202 244493730 /nfs/dbraw/zinc/49/37/30/244493730.db2.gz UIJIUUOCRRWLMJ-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN CC(=O)N1CCN(C(=O)CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000257332894 244555581 /nfs/dbraw/zinc/55/55/81/244555581.db2.gz XZFZTBAZVRBYCD-IBGZPJMESA-N 0 0 337.423 2.446 40 0 EEABRN CNC(=O)Cn1nc(-c2ccc(Br)cc2Cl)nc1C ZINC000078875541 203431653 /nfs/dbraw/zinc/43/16/53/203431653.db2.gz OIKIDYFWPCJICT-UHFFFAOYSA-N 0 0 343.612 2.415 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCn2ncc3ccccc32)CC1 ZINC000040757927 203677792 /nfs/dbraw/zinc/67/77/92/203677792.db2.gz LFVZPLPGQUHYFN-UHFFFAOYSA-N 0 0 329.400 2.228 40 0 EEABRN O=C(c1ccsc1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1 ZINC000096092200 203832967 /nfs/dbraw/zinc/83/29/67/203832967.db2.gz BTQDJWIPCYNOIJ-HOTGVXAUSA-N 0 0 348.468 2.380 40 0 EEABRN CS(=O)(=O)N1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 ZINC000096047306 203805508 /nfs/dbraw/zinc/80/55/08/203805508.db2.gz ZKBYKNDYWRZWBY-UHFFFAOYSA-N 0 0 342.486 2.026 40 0 EEABRN Cn1nccc1C(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074066 203825432 /nfs/dbraw/zinc/82/54/32/203825432.db2.gz MUIGZSDESBRNIC-KRWDZBQOSA-N 0 0 344.440 2.141 40 0 EEABRN Fc1cnc(N2CCC3(C[C@H](OCc4ccccn4)CO3)CC2)nc1 ZINC000096208575 203867325 /nfs/dbraw/zinc/86/73/25/203867325.db2.gz QORQMVHRNOFGBO-INIZCTEOSA-N 0 0 344.390 2.355 40 0 EEABRN COc1ccc(OC)c([C@H](C)Nc2ncnc3c2NC(=O)CN3)c1 ZINC000041121485 204006824 /nfs/dbraw/zinc/00/68/24/204006824.db2.gz OBEBRFNRQARCDF-VIFPVBQESA-N 0 0 329.360 2.031 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000108530617 204265317 /nfs/dbraw/zinc/26/53/17/204265317.db2.gz STMQILFHTHSPTN-UHFFFAOYSA-N 0 0 334.460 2.054 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000047080924 204337013 /nfs/dbraw/zinc/33/70/13/204337013.db2.gz IWAPJSSENPXKSY-UHFFFAOYSA-N 0 0 325.434 2.345 40 0 EEABRN O=C(Nc1ccc(N2CCCC2)cn1)c1cnc2sccn2c1=O ZINC000084429048 284312725 /nfs/dbraw/zinc/31/27/25/284312725.db2.gz GMKSVACHASVPMU-UHFFFAOYSA-N 0 0 341.396 2.004 40 0 EEABRN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(C)n(C)n1)n2C ZINC000101025451 206270559 /nfs/dbraw/zinc/27/05/59/206270559.db2.gz YEBOZCBXRHHSEA-MSUUIHNZSA-N 0 0 346.412 2.040 40 0 EEABRN Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000007304472 206523794 /nfs/dbraw/zinc/52/37/94/206523794.db2.gz QGADNXMLJWNSQI-UHFFFAOYSA-N 0 0 336.388 2.360 40 0 EEABRN O=C(c1ccco1)N1C[C@H]2CCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000096054195 284720433 /nfs/dbraw/zinc/72/04/33/284720433.db2.gz PXWVEGRVPMIMON-CABCVRRESA-N 0 0 325.368 2.051 40 0 EEABRN C[C@H]1CCO[C@@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000095426795 218368992 /nfs/dbraw/zinc/36/89/92/218368992.db2.gz RBBSSCQXSQUGAY-GWCFXTLKSA-N 0 0 331.338 2.444 40 0 EEABRN COc1cncc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)n1 ZINC000095428487 218370855 /nfs/dbraw/zinc/37/08/55/218370855.db2.gz JOWNMGYGZSRPRR-UHFFFAOYSA-N 0 0 345.350 2.287 40 0 EEABRN O=C1CCC(=O)N1CCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000095434293 218376912 /nfs/dbraw/zinc/37/69/12/218376912.db2.gz KBJLNNOVGUZHPP-ZDUSSCGKSA-N 0 0 336.819 2.332 40 0 EEABRN C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000095439549 218383850 /nfs/dbraw/zinc/38/38/50/218383850.db2.gz PDCMBQHTOLMWHT-FUWURINLSA-N 0 0 342.848 2.023 40 0 EEABRN COc1ccsc1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414550 218772391 /nfs/dbraw/zinc/77/23/91/218772391.db2.gz BLYAUMNICWRIKV-UHFFFAOYSA-N 0 0 346.334 2.407 40 0 EEABRN O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nn2cnnc2)c1 ZINC000014405863 207763268 /nfs/dbraw/zinc/76/32/68/207763268.db2.gz IXOSZRQVVQMTHY-VOTSOKGWSA-N 0 0 339.380 2.375 40 0 EEABRN CN1CC[C@H](NC(=O)Nc2cccc(N3CCCCCC3)c2)C1=O ZINC000096420269 218784793 /nfs/dbraw/zinc/78/47/93/218784793.db2.gz SIYCMGHHUPUBGD-INIZCTEOSA-N 0 0 330.432 2.419 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)n1C ZINC000096426140 218795569 /nfs/dbraw/zinc/79/55/69/218795569.db2.gz CZTAUTZFSYVRFR-GOSISDBHSA-N 0 0 345.418 2.162 40 0 EEABRN C[C@H](Cc1ccc2ccccc2c1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426359 218796221 /nfs/dbraw/zinc/79/62/21/218796221.db2.gz TWSAVHMJYNEVQI-CYBMUJFWSA-N 0 0 348.468 2.215 40 0 EEABRN C[C@H](CCc1ccc(F)c(F)c1)NS(=O)(=O)Cc1ccon1 ZINC000096427941 218800376 /nfs/dbraw/zinc/80/03/76/218800376.db2.gz ULEBNHBTAFAFBV-SNVBAGLBSA-N 0 0 330.356 2.394 40 0 EEABRN Cc1ccc(Br)cc1C(=O)OC[C@@H]1CCCN1C(N)=O ZINC000096442195 218824037 /nfs/dbraw/zinc/82/40/37/218824037.db2.gz JTCUAEZDUMVGBI-NSHDSACASA-N 0 0 341.205 2.457 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000096445291 218827128 /nfs/dbraw/zinc/82/71/28/218827128.db2.gz FFFAHZZVHBYICX-PSASIEDQSA-N 0 0 330.215 2.366 40 0 EEABRN O=C(CCc1ccncc1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000096485816 218861796 /nfs/dbraw/zinc/86/17/96/218861796.db2.gz LNQIUAAUZUWLJM-GOSISDBHSA-N 0 0 337.423 2.322 40 0 EEABRN Cc1csc2ncc(C(=O)OCCN(C)c3ccccc3)c(=O)n12 ZINC000096494134 218871827 /nfs/dbraw/zinc/87/18/27/218871827.db2.gz LDCNZWXBQJAKDH-UHFFFAOYSA-N 0 0 343.408 2.358 40 0 EEABRN CC(=O)N[C@@H]1CCCN(c2ccnc3cc(Br)cnc32)C1 ZINC000097372937 219017072 /nfs/dbraw/zinc/01/70/72/219017072.db2.gz QQFBPTICXWPLNR-GFCCVEGCSA-N 0 0 349.232 2.497 40 0 EEABRN COc1ccc(-n2nc(C(=O)OCc3cnn(C)c3)cc2C)cc1 ZINC000092625343 533220448 /nfs/dbraw/zinc/22/04/48/533220448.db2.gz KYHVCRNGBZWPJA-UHFFFAOYSA-N 0 0 326.356 2.280 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000408707520 533575724 /nfs/dbraw/zinc/57/57/24/533575724.db2.gz NWVJTYYVEGBBLH-AWEZNQCLSA-N 0 0 326.396 2.231 40 0 EEABRN O=C(Cc1cccs1)NCCN1CCN(c2ccccc2)CC1 ZINC000056997107 132198129 /nfs/dbraw/zinc/19/81/29/132198129.db2.gz UQAWDOBMDOOPAV-UHFFFAOYSA-N 0 0 329.469 2.229 40 0 EEABRN C[C@H](c1cccc(Cl)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000096495473 299635634 /nfs/dbraw/zinc/63/56/34/299635634.db2.gz YBMCPHLJEGHQDP-CJNGLKHVSA-N 0 0 342.892 2.206 40 0 EEABRN C[C@@H](C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1)n1cccn1 ZINC000079095343 286784283 /nfs/dbraw/zinc/78/42/83/286784283.db2.gz FMUGFKAEPCZWBZ-ZDUSSCGKSA-N 0 0 341.415 2.172 40 0 EEABRN Cc1ccccc1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000244207001 160229901 /nfs/dbraw/zinc/22/99/01/160229901.db2.gz VRZFXXALUOHNTN-UHFFFAOYSA-N 0 0 335.407 2.451 40 0 EEABRN COC[C@@H]1CN(C(=O)CCCc2nc(C)cs2)CC(C)(C)O1 ZINC000285205723 274693922 /nfs/dbraw/zinc/69/39/22/274693922.db2.gz WVEKFLYSYCQRGI-ZDUSSCGKSA-N 0 0 326.462 2.427 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(C)n1 ZINC000257217782 277018485 /nfs/dbraw/zinc/01/84/85/277018485.db2.gz DAOROPGTLBOHNC-LKCYJCQHSA-N 0 0 342.443 2.179 40 0 EEABRN CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000257289943 278043420 /nfs/dbraw/zinc/04/34/20/278043420.db2.gz QAWFFVBLGASCBX-SFHVURJKSA-N 0 0 344.436 2.281 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)nc1 ZINC000096107400 279473123 /nfs/dbraw/zinc/47/31/23/279473123.db2.gz WRWINAMHKHYITC-DYVFJYSZSA-N 0 0 348.353 2.357 40 0 EEABRN CN1c2ccccc2[C@@]2(NC(=N)N=C3Sc4ccccc4N32)C1=O ZINC000017070613 290321671 /nfs/dbraw/zinc/32/16/71/290321671.db2.gz USQWZGWVCUSVPL-KRWDZBQOSA-N 0 0 335.392 2.112 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000104991350 294192185 /nfs/dbraw/zinc/19/21/85/294192185.db2.gz WXBWNTNTOGPLQU-WICDKTFTSA-N 0 0 347.465 2.121 40 0 EEABRN C[C@H](C(=O)N1CCc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000010449194 298088972 /nfs/dbraw/zinc/08/89/72/298088972.db2.gz JUUHIPOBAOPHGI-CQSZACIVSA-N 0 0 344.436 2.430 40 0 EEABRN O=S(=O)(CCC1CCOCC1)N1CCC[C@@H](OCC2CC2)C1 ZINC000330300156 311740069 /nfs/dbraw/zinc/74/00/69/311740069.db2.gz MYWWZILBDZTYFA-MRXNPFEDSA-N 0 0 331.478 2.024 40 0 EEABRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C)cc1 ZINC000330834822 311791086 /nfs/dbraw/zinc/79/10/86/311791086.db2.gz QYPDTGCKUMPGFC-LRDDRELGSA-N 0 0 340.445 2.136 40 0 EEABRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)cc1 ZINC000330834824 311791097 /nfs/dbraw/zinc/79/10/97/311791097.db2.gz QYPDTGCKUMPGFC-WBMJQRKESA-N 0 0 340.445 2.136 40 0 EEABRN O=C(c1cc(Br)co1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000332663045 312042593 /nfs/dbraw/zinc/04/25/93/312042593.db2.gz GKUKSDBXNVCKNG-SECBINFHSA-N 0 0 328.084 2.181 40 0 EEABRN COC(=O)[C@H](c1ccccc1C)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000097094885 323320247 /nfs/dbraw/zinc/32/02/47/323320247.db2.gz VMNYOTVYSQKHCI-PKOBYXMFSA-N 0 0 343.427 2.190 40 0 EEABRN O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCCCC1 ZINC000049411169 462969542 /nfs/dbraw/zinc/96/95/42/462969542.db2.gz RBZMMOPVSKUXNY-UHFFFAOYSA-N 0 0 340.431 2.279 40 0 EEABRN CCc1noc(CN(C)S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000060370124 462544292 /nfs/dbraw/zinc/54/42/92/462544292.db2.gz RLEBJUSGLYHNBB-UHFFFAOYSA-N 0 0 333.772 2.245 40 0 EEABRN CCOc1ccccc1C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085436738 462547135 /nfs/dbraw/zinc/54/71/35/462547135.db2.gz VEWQCFCDOPFCIE-MRXNPFEDSA-N 0 0 344.411 2.170 40 0 EEABRN O=C(c1ccccc1C(F)(F)F)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436636 462548049 /nfs/dbraw/zinc/54/80/49/462548049.db2.gz LVPBFXIIZRWYTQ-OAHLLOKOSA-N 0 0 342.361 2.234 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)C1CCCC1 ZINC000085467640 462548849 /nfs/dbraw/zinc/54/88/49/462548849.db2.gz LEHNJJBEQKDMMO-MRXNPFEDSA-N 0 0 333.407 2.068 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)c1C ZINC000000260634 462551488 /nfs/dbraw/zinc/55/14/88/462551488.db2.gz GGLUUUIYIJSZJJ-GOEBONIOSA-N 0 0 334.416 2.470 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 ZINC000085475668 462551485 /nfs/dbraw/zinc/55/14/85/462551485.db2.gz DJFKWJDUMCCCQJ-GDBMZVCRSA-N 0 0 330.363 2.200 40 0 EEABRN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000000428946 462562239 /nfs/dbraw/zinc/56/22/39/462562239.db2.gz KFJPCVBUGDRWNW-ZDUSSCGKSA-N 0 0 348.468 2.406 40 0 EEABRN CCOc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1OCC ZINC000000574763 462571404 /nfs/dbraw/zinc/57/14/04/462571404.db2.gz VBWXMGBOHIYAOF-UHFFFAOYSA-N 0 0 336.457 2.357 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c1 ZINC000000780448 462573461 /nfs/dbraw/zinc/57/34/61/462573461.db2.gz HIKQZERWNHMYGU-UHFFFAOYSA-N 0 0 334.416 2.081 40 0 EEABRN COC(=O)CSc1nnc2c(C)cc3cc(OC)c(OC)cc3n12 ZINC000000877306 462575206 /nfs/dbraw/zinc/57/52/06/462575206.db2.gz NRUFFAJPZKECPF-UHFFFAOYSA-N 0 0 347.396 2.473 40 0 EEABRN Nc1ncnc(N)c1NC(=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000001749550 462586664 /nfs/dbraw/zinc/58/66/64/462586664.db2.gz ITUYNMIRASMLFD-UHFFFAOYSA-N 0 0 333.351 2.124 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OCC1CC1 ZINC000063370165 462642740 /nfs/dbraw/zinc/64/27/40/462642740.db2.gz KCQUFTWMVDHUET-OAHLLOKOSA-N 0 0 332.425 2.441 40 0 EEABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OC(C)(C)C(=O)N3)C1 ZINC000046088710 462646394 /nfs/dbraw/zinc/64/63/94/462646394.db2.gz HQVUYTILWBQKEA-LLVKDONJSA-N 0 0 338.429 2.217 40 0 EEABRN CCOc1cc(CNS(=O)(=O)c2c(C)noc2C)ccc1OC ZINC000114497733 462657485 /nfs/dbraw/zinc/65/74/85/462657485.db2.gz SRICTQNNCNKLAQ-UHFFFAOYSA-N 0 0 340.401 2.177 40 0 EEABRN Cc1cccnc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000006607727 462691852 /nfs/dbraw/zinc/69/18/52/462691852.db2.gz VDADAXNYZRYNOI-UHFFFAOYSA-N 0 0 326.381 2.357 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)n1 ZINC000008053724 462764063 /nfs/dbraw/zinc/76/40/63/462764063.db2.gz MLOPZFNPDJUZQT-JXMROGBWSA-N 0 0 344.444 2.343 40 0 EEABRN Cc1ccc(C)c(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1 ZINC000008369849 462781350 /nfs/dbraw/zinc/78/13/50/462781350.db2.gz ACFYBFLQRZPQOK-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN Cc1cccc(-c2nc(C(=O)NCCO)nn2-c2ccccc2C)c1 ZINC000008476578 462784635 /nfs/dbraw/zinc/78/46/35/462784635.db2.gz HHKSUECXECNGDY-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN CCOC(=O)c1nc2c(C)cccn2c1I ZINC000090470962 462793619 /nfs/dbraw/zinc/79/36/19/462793619.db2.gz PZWDIGOKYCFYMK-UHFFFAOYSA-N 0 0 330.125 2.424 40 0 EEABRN C=Cn1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000010119686 462813225 /nfs/dbraw/zinc/81/32/25/462813225.db2.gz KQDAHOADEJTLCU-SSDOTTSWSA-N 0 0 328.159 2.486 40 0 EEABRN O=C(C[C@@H]1NC(=O)NC1=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000091069760 462829737 /nfs/dbraw/zinc/82/97/37/462829737.db2.gz NKVACOJXYOMJKI-PCCNWKQFSA-N 0 0 341.411 2.069 40 0 EEABRN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1cc(C2CC2)n[nH]1 ZINC000012147230 462844645 /nfs/dbraw/zinc/84/46/45/462844645.db2.gz LQALQMIKQQUSNE-UHFFFAOYSA-N 0 0 346.774 2.165 40 0 EEABRN O=C(NCc1noc(-c2ccccc2)n1)c1cc(-c2ccccn2)n[nH]1 ZINC000012143797 462845833 /nfs/dbraw/zinc/84/58/33/462845833.db2.gz QTEYJKDTMLSBQA-UHFFFAOYSA-N 0 0 346.350 2.452 40 0 EEABRN CCn1cc(C(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)c(C)n1 ZINC000012183232 462847278 /nfs/dbraw/zinc/84/72/78/462847278.db2.gz QJPNFMPCVCHZBU-MRXNPFEDSA-N 0 0 340.431 2.411 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000012407743 462853238 /nfs/dbraw/zinc/85/32/38/462853238.db2.gz KPWUGWJNIIHUCQ-UTKZUKDTSA-N 0 0 348.402 2.452 40 0 EEABRN O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000049546836 462970851 /nfs/dbraw/zinc/97/08/51/462970851.db2.gz PAYBRUHLIHKCIH-HZSPNIEDSA-N 0 0 341.436 2.300 40 0 EEABRN C(=C(/c1nnnn1-c1ccccc1)c1ccccc1)\N1CCOCC1 ZINC000016450707 462979488 /nfs/dbraw/zinc/97/94/88/462979488.db2.gz FJDVSXKUCICGPV-OBGWFSINSA-N 0 0 333.395 2.384 40 0 EEABRN Cc1ccc(O)c(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c1 ZINC000092928638 462992842 /nfs/dbraw/zinc/99/28/42/462992842.db2.gz UUTGIPVMSDQIJW-AWEZNQCLSA-N 0 0 327.384 2.312 40 0 EEABRN OCCNc1nc2ccccc2n1C[C@@H](O)c1cc(F)ccc1F ZINC000051092725 463020644 /nfs/dbraw/zinc/02/06/44/463020644.db2.gz GBDVWLCLWDXLRS-MRXNPFEDSA-N 0 0 333.338 2.452 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000134402747 463034425 /nfs/dbraw/zinc/03/44/25/463034425.db2.gz YFNIKLLBWNKASQ-RISCZKNCSA-N 0 0 346.349 2.387 40 0 EEABRN CCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000022274644 463047803 /nfs/dbraw/zinc/04/78/03/463047803.db2.gz IMRDJFBYXPIKAR-UHFFFAOYSA-N 0 0 336.388 2.157 40 0 EEABRN CCCn1cnc(-c2nc(C(=O)N3CCCO3)c3ccccn32)c1 ZINC000096037980 463142350 /nfs/dbraw/zinc/14/23/50/463142350.db2.gz IFILHGQIDZGEBH-UHFFFAOYSA-N 0 0 325.372 2.385 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041383 463146198 /nfs/dbraw/zinc/14/61/98/463146198.db2.gz UKJBOSCTGSPWKO-BZSNNMDCSA-N 0 0 339.395 2.065 40 0 EEABRN CCc1ncc([C@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)s1 ZINC000078754858 463146321 /nfs/dbraw/zinc/14/63/21/463146321.db2.gz ZNJNHCNKHGTKAW-INIZCTEOSA-N 0 0 344.440 2.042 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041729 463146600 /nfs/dbraw/zinc/14/66/00/463146600.db2.gz ZJBJJZAHBHCNKZ-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN CC(C)COC[C@H]1CN(C(=O)c2cscn2)Cc2ncn(C)c21 ZINC000096044849 463149464 /nfs/dbraw/zinc/14/94/64/463149464.db2.gz ZZKCOROIXNUWSV-GFCCVEGCSA-N 0 0 334.445 2.289 40 0 EEABRN Cc1nnc(N2CCC[C@@]3(CN(Cc4cccs4)CCO3)C2)o1 ZINC000096049188 463153110 /nfs/dbraw/zinc/15/31/10/463153110.db2.gz ZDQUCZMSBIXOFM-MRXNPFEDSA-N 0 0 334.445 2.311 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000078879517 463158985 /nfs/dbraw/zinc/15/89/85/463158985.db2.gz JWPIASSQFSCXFA-NSHDSACASA-N 0 0 334.372 2.155 40 0 EEABRN COc1ccc(CN2CCn3c(Cn4cncn4)cnc3[C@@H]2C)cc1 ZINC000096062093 463161255 /nfs/dbraw/zinc/16/12/55/463161255.db2.gz SGOBZPWZSWRWFM-AWEZNQCLSA-N 0 0 338.415 2.108 40 0 EEABRN O=C([O-])[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096064271 463163496 /nfs/dbraw/zinc/16/34/96/463163496.db2.gz HMBSBSBZDSAZDG-LPHOPBHVSA-N 0 0 341.411 2.478 40 0 EEABRN c1nnc(NCc2cncc3c2CCN(Cc2ccccn2)C3)s1 ZINC000096067460 463164435 /nfs/dbraw/zinc/16/44/35/463164435.db2.gz DPYMLEUNDOHSPM-UHFFFAOYSA-N 0 0 338.440 2.499 40 0 EEABRN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCO[C@H](CO)C1 ZINC000078931757 463167440 /nfs/dbraw/zinc/16/74/40/463167440.db2.gz GMNIKPXCMDKJKF-HNNXBMFYSA-N 0 0 338.835 2.164 40 0 EEABRN C[C@H]1CCCN1C(=O)CCSc1nnc(-c2ccc(F)cc2)n1N ZINC000078934932 463168453 /nfs/dbraw/zinc/16/84/53/463168453.db2.gz FPHWFNMJFWZZCY-NSHDSACASA-N 0 0 349.435 2.291 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1 ZINC000096103403 463173999 /nfs/dbraw/zinc/17/39/99/463173999.db2.gz PYHOANAIGWPYCJ-CYBMUJFWSA-N 0 0 342.461 2.038 40 0 EEABRN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@H]2C(=O)NCCO[C@H]2C1 ZINC000096107086 463175984 /nfs/dbraw/zinc/17/59/84/463175984.db2.gz UKTOSDPQNQGGNE-DOMZBBRYSA-N 0 0 348.786 2.063 40 0 EEABRN O=C(Cc1ccccc1F)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000078997943 463177629 /nfs/dbraw/zinc/17/76/29/463177629.db2.gz RVWYKPXMSRVBMX-OAHLLOKOSA-N 0 0 330.334 2.429 40 0 EEABRN CCN(C(=O)NCc1ccc2c(c1)CCC2)[C@@H](C)CS(C)(=O)=O ZINC000079036109 463181775 /nfs/dbraw/zinc/18/17/75/463181775.db2.gz OUIFMUQTMFISBH-ZDUSSCGKSA-N 0 0 338.473 2.140 40 0 EEABRN COCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)cc2cccnc21 ZINC000079050328 463184127 /nfs/dbraw/zinc/18/41/27/463184127.db2.gz VUOZHHQWJHKGQD-UHFFFAOYSA-N 0 0 349.818 2.065 40 0 EEABRN CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CCCCO1 ZINC000079092483 463188024 /nfs/dbraw/zinc/18/80/24/463188024.db2.gz AFDKLWIWNKQFGL-NSHDSACASA-N 0 0 342.237 2.209 40 0 EEABRN NC(=O)c1cc(C(=O)OCCc2cccs2)nn1-c1ccccc1 ZINC000079099637 463188657 /nfs/dbraw/zinc/18/86/57/463188657.db2.gz LFQFXSOHXYROEN-UHFFFAOYSA-N 0 0 341.392 2.432 40 0 EEABRN O=C(N[C@H]1CCc2ccccc2C1)C1CCN(c2cnccn2)CC1 ZINC000079143253 463193034 /nfs/dbraw/zinc/19/30/34/463193034.db2.gz XXKVFIGHCASOKH-SFHVURJKSA-N 0 0 336.439 2.367 40 0 EEABRN Cc1cnc(NC(=O)COCc2nc(-c3cccnc3)no2)s1 ZINC000096182094 463194503 /nfs/dbraw/zinc/19/45/03/463194503.db2.gz OPVFUWXTNRRLGK-UHFFFAOYSA-N 0 0 331.357 2.052 40 0 EEABRN COc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)nnn1Cc1ccccc1 ZINC000096183470 463195294 /nfs/dbraw/zinc/19/52/94/463195294.db2.gz IJBRNKOAPDONSW-ZIAGYGMSSA-N 0 0 328.416 2.453 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135760402 463196414 /nfs/dbraw/zinc/19/64/14/463196414.db2.gz VYKCQKXSVLXOJQ-OCCSQVGLSA-N 0 0 331.420 2.354 40 0 EEABRN c1csc(CN2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187121 463198526 /nfs/dbraw/zinc/19/85/26/463198526.db2.gz VRVWPAYABHZUPK-VYDXJSESSA-N 0 0 331.441 2.487 40 0 EEABRN O=C1CCCN1C[C@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096188412 463200477 /nfs/dbraw/zinc/20/04/77/463200477.db2.gz JHBGLOUPXRAOGO-OAHLLOKOSA-N 0 0 330.457 2.199 40 0 EEABRN C[C@@]1(C(=O)NCCCn2ccnc2)CC(c2ccccc2F)=NO1 ZINC000096192680 463201142 /nfs/dbraw/zinc/20/11/42/463201142.db2.gz UDULTCJDYXJAIM-KRWDZBQOSA-N 0 0 330.363 2.112 40 0 EEABRN CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000096192894 463201750 /nfs/dbraw/zinc/20/17/50/463201750.db2.gz MSSCWFDOCJVZGS-KRWDZBQOSA-N 0 0 335.835 2.387 40 0 EEABRN CCn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1cnn(C)c1)C2 ZINC000096198104 463204925 /nfs/dbraw/zinc/20/49/25/463204925.db2.gz BQMDNLYXBLCTHD-QGZVFWFLSA-N 0 0 329.448 2.163 40 0 EEABRN COCCO[C@@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1ccccc1 ZINC000096200075 463205426 /nfs/dbraw/zinc/20/54/26/463205426.db2.gz AYUFWUGFOMOAKZ-DLBZAZTESA-N 0 0 331.391 2.469 40 0 EEABRN CN1CC[C@]2(CN(c3ncc(F)cn3)C[C@H]2c2ccccc2)C1=O ZINC000096201845 463207053 /nfs/dbraw/zinc/20/70/53/463207053.db2.gz ZRWMNGDLQUZBME-MAUKXSAKSA-N 0 0 326.375 2.068 40 0 EEABRN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1nccs1)CC2 ZINC000096208244 463212325 /nfs/dbraw/zinc/21/23/25/463212325.db2.gz XLFYFCAQSZCLKA-OAHLLOKOSA-N 0 0 349.500 2.240 40 0 EEABRN O=C([O-])C[N@@H+]1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079414012 463213311 /nfs/dbraw/zinc/21/33/11/463213311.db2.gz MFZQPNCEEHSDEE-OAHLLOKOSA-N 0 0 332.400 2.194 40 0 EEABRN Fc1cnc(N2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)nc1 ZINC000096209502 463213624 /nfs/dbraw/zinc/21/36/24/463213624.db2.gz MPQKKULVASTNPN-HNNXBMFYSA-N 0 0 330.363 2.218 40 0 EEABRN CO[C@H]1CCN(C(=O)COc2cccc(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000096219354 463216843 /nfs/dbraw/zinc/21/68/43/463216843.db2.gz OBWCMYNBOSSNQU-DZKIICNBSA-N 0 0 325.792 2.124 40 0 EEABRN Cc1ccc(N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)nn1 ZINC000096224444 463218730 /nfs/dbraw/zinc/21/87/30/463218730.db2.gz NVFOXLUZKLNDPT-IBGZPJMESA-N 0 0 337.427 2.199 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1 ZINC000096225534 463221343 /nfs/dbraw/zinc/22/13/43/463221343.db2.gz FMCNLNGCIVZXGC-IBGZPJMESA-N 0 0 343.427 2.223 40 0 EEABRN O=C1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1CC1CC1 ZINC000096228108 463222584 /nfs/dbraw/zinc/22/25/84/463222584.db2.gz DLCUEHGLZNHLBZ-UHFFFAOYSA-N 0 0 348.468 2.242 40 0 EEABRN C[C@@H]1CN=C(N2CCN(Cc3nc4ccccc4n3C)CC2)S1 ZINC000079509084 463223827 /nfs/dbraw/zinc/22/38/27/463223827.db2.gz FINMXUQBLRIMLQ-CYBMUJFWSA-N 0 0 329.473 2.182 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)C3(C2)CCOCC3)cc1 ZINC000096240752 463225589 /nfs/dbraw/zinc/22/55/89/463225589.db2.gz CJYFFKMMQUVLSI-KRWDZBQOSA-N 0 0 344.455 2.388 40 0 EEABRN Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4)c3C2)o1 ZINC000096259286 463230042 /nfs/dbraw/zinc/23/00/42/463230042.db2.gz NPIOIFNZSTXCFU-UHFFFAOYSA-N 0 0 328.416 2.426 40 0 EEABRN COc1ccc(CNC(=O)[C@H]2CCC(=O)NC2)cc1OC1CCCC1 ZINC000096403921 463238016 /nfs/dbraw/zinc/23/80/16/463238016.db2.gz SROVDMMRZNSOBW-AWEZNQCLSA-N 0 0 346.427 2.159 40 0 EEABRN CCc1ncc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)s1 ZINC000096402799 463238120 /nfs/dbraw/zinc/23/81/20/463238120.db2.gz MCXIWIMXFQWCOD-UHFFFAOYSA-N 0 0 345.424 2.009 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000096405510 463239281 /nfs/dbraw/zinc/23/92/81/463239281.db2.gz WJXPTWUCRUSJHV-HIFRSBDPSA-N 0 0 345.374 2.500 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2NCc1cc2ccccc2[nH]1 ZINC000096408657 463241323 /nfs/dbraw/zinc/24/13/23/463241323.db2.gz VQITZXJKXJNQFB-UHFFFAOYSA-N 0 0 336.355 2.093 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000096410036 463242850 /nfs/dbraw/zinc/24/28/50/463242850.db2.gz KFVYNYVYLQDVKN-AWEZNQCLSA-N 0 0 345.422 2.315 40 0 EEABRN O=C(CCNC(=O)C1(c2ccccc2F)CC1)Nc1ccncc1 ZINC000096412369 463245110 /nfs/dbraw/zinc/24/51/10/463245110.db2.gz HWLUPMJNUNCVJD-UHFFFAOYSA-N 0 0 327.359 2.397 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1(C)C ZINC000096416141 463248510 /nfs/dbraw/zinc/24/85/10/463248510.db2.gz QODXACQFSJUUEY-QWHCGFSZSA-N 0 0 326.343 2.223 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000096419353 463250747 /nfs/dbraw/zinc/25/07/47/463250747.db2.gz URCXHSFFIJVNJB-KBPBESRZSA-N 0 0 332.425 2.320 40 0 EEABRN Cc1ccc(N2CC[C@@H](N3CCC4(CC3)OC[C@H](C)O4)C2=O)cc1 ZINC000096424479 463254689 /nfs/dbraw/zinc/25/46/89/463254689.db2.gz VUGIUMVEZBTXCR-DOTOQJQBSA-N 0 0 330.428 2.328 40 0 EEABRN Cc1cccc(C)c1NCC(=O)NCCC(=O)Nc1ccncc1 ZINC000096426343 463255755 /nfs/dbraw/zinc/25/57/55/463255755.db2.gz FAQDPWGUJRLZDM-UHFFFAOYSA-N 0 0 326.400 2.255 40 0 EEABRN CC(C)c1noc(-c2ccnc(N3CCC(CC(N)=O)CC3)c2)n1 ZINC000096427329 463256925 /nfs/dbraw/zinc/25/69/25/463256925.db2.gz ZDDYBKVNGWRLHW-UHFFFAOYSA-N 0 0 329.404 2.347 40 0 EEABRN CC(C)N(CC(F)(F)F)C(=O)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000096428943 463259201 /nfs/dbraw/zinc/25/92/01/463259201.db2.gz NBSCOJYIQFMKBN-CQSZACIVSA-N 0 0 336.354 2.207 40 0 EEABRN CN(C1CCN(c2ccc3ccc(F)cc3n2)CC1)S(C)(=O)=O ZINC000096429268 463259448 /nfs/dbraw/zinc/25/94/48/463259448.db2.gz NCXBKWMXCXLFCD-UHFFFAOYSA-N 0 0 337.420 2.234 40 0 EEABRN Cc1c(Br)cccc1C(=O)N1CCCS(=O)(=O)CC1 ZINC000096430995 463260396 /nfs/dbraw/zinc/26/03/96/463260396.db2.gz VLLMJPJRSMIKKX-UHFFFAOYSA-N 0 0 346.246 2.018 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C12CCCC2 ZINC000096432480 463261365 /nfs/dbraw/zinc/26/13/65/463261365.db2.gz OQQATVHGLYNGSX-LSDHHAIUSA-N 0 0 341.415 2.130 40 0 EEABRN Cc1ccc(Br)cc1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000096436972 463264854 /nfs/dbraw/zinc/26/48/54/463264854.db2.gz COMGHRUXBCCILH-CQSZACIVSA-N 0 0 342.233 2.275 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2ccc(F)c(Br)c2)no1 ZINC000096436419 463264868 /nfs/dbraw/zinc/26/48/68/463264868.db2.gz AEKRVMMISSIONS-UHFFFAOYSA-N 0 0 349.181 2.363 40 0 EEABRN CCS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000096451484 463272927 /nfs/dbraw/zinc/27/29/27/463272927.db2.gz SQRFCJPGEHSQHC-GDBMZVCRSA-N 0 0 345.472 2.385 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1N(C)C ZINC000096472797 463278794 /nfs/dbraw/zinc/27/87/94/463278794.db2.gz WJCJNAAKNZGXMH-CQSZACIVSA-N 0 0 348.472 2.352 40 0 EEABRN C/C=C/CS(=O)(=O)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000096475927 463280430 /nfs/dbraw/zinc/28/04/30/463280430.db2.gz GMGCOQATEXVGAE-PGLGOXFNSA-N 0 0 331.384 2.003 40 0 EEABRN Cc1nn(C)c(C)c1CNc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000096482921 463281138 /nfs/dbraw/zinc/28/11/38/463281138.db2.gz OQHMFUGVZYFZFH-UHFFFAOYSA-N 0 0 348.472 2.497 40 0 EEABRN O=C(Cc1ccc(O)cc1Cl)NCCNC(=O)CC1CCCC1 ZINC000096481418 463281492 /nfs/dbraw/zinc/28/14/92/463281492.db2.gz UHEBFWIJMJEIAD-UHFFFAOYSA-N 0 0 338.835 2.401 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)CCC(=O)N2CCC(O)CC2)c(C)s1 ZINC000096487358 463285181 /nfs/dbraw/zinc/28/51/81/463285181.db2.gz TVPBATZLZDNQMI-GFCCVEGCSA-N 0 0 338.473 2.306 40 0 EEABRN CC[C@H](CSC)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000096491506 463286431 /nfs/dbraw/zinc/28/64/31/463286431.db2.gz ZGBVNYBHRJWEMW-MRVPVSSYSA-N 0 0 348.266 2.411 40 0 EEABRN Cc1[nH]cc(C(=O)N(C)Cc2nccs2)c(=O)c1Br ZINC000096500639 463290432 /nfs/dbraw/zinc/29/04/32/463290432.db2.gz LEVZNVUVNMJMIC-UHFFFAOYSA-N 0 0 342.218 2.175 40 0 EEABRN O=C(Cc1cc(F)ccc1F)NCCc1noc(-c2ccccn2)n1 ZINC000080165260 463290465 /nfs/dbraw/zinc/29/04/65/463290465.db2.gz WYLKEOUYKMSMFT-UHFFFAOYSA-N 0 0 344.321 2.311 40 0 EEABRN O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096783018 463299225 /nfs/dbraw/zinc/29/92/25/463299225.db2.gz RAEDLXAFCFCRFX-HZPDHXFCSA-N 0 0 332.400 2.083 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1c(F)cccc1Cl ZINC000097095158 463321614 /nfs/dbraw/zinc/32/16/14/463321614.db2.gz KLXPOZYTHOQEOT-VXGBXAGGSA-N 0 0 344.814 2.203 40 0 EEABRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000097234436 463352008 /nfs/dbraw/zinc/35/20/08/463352008.db2.gz SRXLVIGVLLYGGR-LZDHAAFVSA-N 0 0 338.473 2.117 40 0 EEABRN Cc1noc([C@H]2CCCCN2C(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000040714856 463464537 /nfs/dbraw/zinc/46/45/37/463464537.db2.gz JQISSKJASVNTGZ-DOMZBBRYSA-N 0 0 329.356 2.272 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)C[C@H](C)O1 ZINC000072241939 463486994 /nfs/dbraw/zinc/48/69/94/463486994.db2.gz SKZIIOCBFKNQSF-ZDFLXESQSA-N 0 0 348.418 2.371 40 0 EEABRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 ZINC000072242507 463487104 /nfs/dbraw/zinc/48/71/04/463487104.db2.gz APTPAXMZKFJNDN-HNNXBMFYSA-N 0 0 325.368 2.364 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccn(C(C)C)n1 ZINC000081795021 463492667 /nfs/dbraw/zinc/49/26/67/463492667.db2.gz MXGUSTKWVOJBKB-UHFFFAOYSA-N 0 0 331.420 2.083 40 0 EEABRN CN1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)Cc2ccccc21 ZINC000072561732 463521100 /nfs/dbraw/zinc/52/11/00/463521100.db2.gz DJDBYJDMUWFQMY-UHFFFAOYSA-N 0 0 349.398 2.146 40 0 EEABRN CN(C)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000059472907 463643435 /nfs/dbraw/zinc/64/34/35/463643435.db2.gz HCMAFYAOACMBPX-UHFFFAOYSA-N 0 0 332.425 2.355 40 0 EEABRN COC(=O)C1CCN(C(=O)Cc2coc3cc(OC)ccc23)CC1 ZINC000044192450 463669780 /nfs/dbraw/zinc/66/97/80/463669780.db2.gz FNNRJPFZMJGMRT-UHFFFAOYSA-N 0 0 331.368 2.396 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3cc(F)ccc3OC)CCO2)n1 ZINC000257228210 463756533 /nfs/dbraw/zinc/75/65/33/463756533.db2.gz FSVCOKUULXBUMV-INIZCTEOSA-N 0 0 345.374 2.485 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CCO2)ccn1 ZINC000257250074 463758261 /nfs/dbraw/zinc/75/82/61/463758261.db2.gz JKXCPZZMNKPSRJ-KRWDZBQOSA-N 0 0 339.395 2.193 40 0 EEABRN CC(C)CC(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 ZINC000257284473 463761086 /nfs/dbraw/zinc/76/10/86/463761086.db2.gz PCVXUEMPEDFJBG-AWEZNQCLSA-N 0 0 325.416 2.483 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)CC[C@@]12CCCO2 ZINC000257285650 463761291 /nfs/dbraw/zinc/76/12/91/463761291.db2.gz PIDKOSHNWBHTJC-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000193955415 463764323 /nfs/dbraw/zinc/76/43/23/463764323.db2.gz OBEGNVDXPSAXPI-ZDUSSCGKSA-N 0 0 342.461 2.221 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 ZINC000257294430 463765704 /nfs/dbraw/zinc/76/57/04/463765704.db2.gz QUCSNMRPJLRFLZ-CQSZACIVSA-N 0 0 341.415 2.387 40 0 EEABRN Cc1cncc(C2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)n1 ZINC000257295664 463766909 /nfs/dbraw/zinc/76/69/09/463766909.db2.gz QZISOHLJGLYYDD-UHFFFAOYSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1nc(C[C@H]2CCCN(C(=O)c3cccs3)C2)cc(C(N)=O)n1 ZINC000257305300 463770974 /nfs/dbraw/zinc/77/09/74/463770974.db2.gz SPIDPRHKPBJTDA-GFCCVEGCSA-N 0 0 344.440 2.040 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2Cl)n1 ZINC000257314133 463773692 /nfs/dbraw/zinc/77/36/92/463773692.db2.gz UVLWJDNEDLQYMZ-ZDUSSCGKSA-N 0 0 335.791 2.350 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257320088 463776531 /nfs/dbraw/zinc/77/65/31/463776531.db2.gz VVIFPQWWHPZVFF-KRWDZBQOSA-N 0 0 329.375 2.457 40 0 EEABRN CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)n1 ZINC000257319887 463777041 /nfs/dbraw/zinc/77/70/41/463777041.db2.gz VULHEQROPOYIIP-OAHLLOKOSA-N 0 0 328.416 2.159 40 0 EEABRN O=C(COc1ccccc1Cl)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257329138 463779971 /nfs/dbraw/zinc/77/99/71/463779971.db2.gz XIRYHGLQIONTPS-HNNXBMFYSA-N 0 0 339.819 2.251 40 0 EEABRN O=C(N1CCC2(CC1)OCCC[C@@H]2O)C1(c2ccccc2F)CC1 ZINC000257333305 463783040 /nfs/dbraw/zinc/78/30/40/463783040.db2.gz YBAOYDZYWMEYNF-INIZCTEOSA-N 0 0 333.403 2.390 40 0 EEABRN C[C@]1(COc2ccccc2)C[C@@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]2O1 ZINC000257343156 463787425 /nfs/dbraw/zinc/78/74/25/463787425.db2.gz ZRSFHBQDOVLHRQ-DKSSEZFCSA-N 0 0 341.411 2.498 40 0 EEABRN CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(COC)c1 ZINC000185954810 463912041 /nfs/dbraw/zinc/91/20/41/463912041.db2.gz KZQPFAWYYGSZPY-OAHLLOKOSA-N 0 0 325.430 2.355 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c(=O)c1 ZINC000194777211 463927405 /nfs/dbraw/zinc/92/74/05/463927405.db2.gz LEYMGRLUOMJQMB-WBVHZDCISA-N 0 0 326.396 2.145 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)Cc2cc(F)c(F)c(F)c2)cn1 ZINC000195446520 464055184 /nfs/dbraw/zinc/05/51/84/464055184.db2.gz UKYNNWAHQFJAGB-UHFFFAOYSA-N 0 0 346.330 2.328 40 0 EEABRN Cn1cc(COC(=O)c2cn(-c3cccc(Cl)c3F)nn2)cn1 ZINC000195550944 464076088 /nfs/dbraw/zinc/07/60/88/464076088.db2.gz DNUCXXDSQOIBHS-UHFFFAOYSA-N 0 0 335.726 2.150 40 0 EEABRN CN(c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1)S(C)(=O)=O ZINC000222408871 464130024 /nfs/dbraw/zinc/13/00/24/464130024.db2.gz VUNHITTZNCOENG-UHFFFAOYSA-N 0 0 348.380 2.063 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2cccc(F)c2)n1 ZINC000224180546 464148695 /nfs/dbraw/zinc/14/86/95/464148695.db2.gz ALZMMIBDFDAJNM-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN Cc1cccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)c1 ZINC000224211882 464149878 /nfs/dbraw/zinc/14/98/78/464149878.db2.gz VPMNUFZQCNFQMK-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN COCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000224589382 464151406 /nfs/dbraw/zinc/15/14/06/464151406.db2.gz LBFWRPTYNRUICY-VBKFSLOCSA-N 0 0 328.368 2.122 40 0 EEABRN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000225129808 464152205 /nfs/dbraw/zinc/15/22/05/464152205.db2.gz VCGAYEXDJXHRDX-UHFFFAOYSA-N 0 0 329.374 2.256 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)c(C)o1 ZINC000225445415 464161436 /nfs/dbraw/zinc/16/14/36/464161436.db2.gz QXFQWFFENFOFMN-CYBMUJFWSA-N 0 0 330.388 2.046 40 0 EEABRN COc1cncc(O[C@@H]2CCCN(C(=O)NCc3cccs3)C2)n1 ZINC000225501010 464166764 /nfs/dbraw/zinc/16/67/64/464166764.db2.gz BFRGUVTZJACRQZ-GFCCVEGCSA-N 0 0 348.428 2.300 40 0 EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000225493193 464166802 /nfs/dbraw/zinc/16/68/02/464166802.db2.gz OQWFXJVWIGGDLL-ZDUSSCGKSA-N 0 0 331.372 2.379 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000225516757 464168008 /nfs/dbraw/zinc/16/80/08/464168008.db2.gz RSBQKWSVEJNOMH-UHFFFAOYSA-N 0 0 348.384 2.162 40 0 EEABRN O=C(NCCOc1ccc(F)cc1)c1cc(N2CCCC2)ncn1 ZINC000225537557 464169613 /nfs/dbraw/zinc/16/96/13/464169613.db2.gz QBMSWRGUVOPWHK-UHFFFAOYSA-N 0 0 330.363 2.025 40 0 EEABRN Cn1ccc(CC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)n1 ZINC000225572281 464172014 /nfs/dbraw/zinc/17/20/14/464172014.db2.gz LUHLFIKYITYAIZ-UHFFFAOYSA-N 0 0 348.450 2.460 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)C2CCC(C)(C)CC2)n(C)n1 ZINC000225574115 464173825 /nfs/dbraw/zinc/17/38/25/464173825.db2.gz BSRDVQILSVTIFG-UHFFFAOYSA-N 0 0 327.450 2.051 40 0 EEABRN CO[C@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1)C1CC1 ZINC000225643126 464177699 /nfs/dbraw/zinc/17/76/99/464177699.db2.gz PJVFKWWBSYICTA-IBGZPJMESA-N 0 0 346.427 2.441 40 0 EEABRN CCn1cc(OCC(=O)NC2(c3noc(C)n3)CCCCCC2)cn1 ZINC000225710484 464181535 /nfs/dbraw/zinc/18/15/35/464181535.db2.gz JQRBBVZYSGHSHR-UHFFFAOYSA-N 0 0 347.419 2.339 40 0 EEABRN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263913686 464237623 /nfs/dbraw/zinc/23/76/23/464237623.db2.gz NCAWZRPYDLVYDL-QWHCGFSZSA-N 0 0 344.381 2.390 40 0 EEABRN CC[C@H]1CCCN(C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000180649975 464358735 /nfs/dbraw/zinc/35/87/35/464358735.db2.gz FPNFAKSAKSZTJK-LSDHHAIUSA-N 0 0 326.437 2.130 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCN(c2nccs2)CC1 ZINC000242164655 464456463 /nfs/dbraw/zinc/45/64/63/464456463.db2.gz WWTNAOAFBZDTRG-QLFBSQMISA-N 0 0 336.505 2.349 40 0 EEABRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000245305012 464469633 /nfs/dbraw/zinc/46/96/33/464469633.db2.gz HNKMKUGCERLSTF-IJLUTSLNSA-N 0 0 335.370 2.370 40 0 EEABRN CC[C@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)c1c(C)noc1C ZINC000189685032 464538773 /nfs/dbraw/zinc/53/87/73/464538773.db2.gz RKZNRIXBQNVCSG-SKDRFNHKSA-N 0 0 333.396 2.124 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c1 ZINC000247421372 464678532 /nfs/dbraw/zinc/67/85/32/464678532.db2.gz ZABYLOCZYNZWMY-KGLIPLIRSA-N 0 0 331.434 2.029 40 0 EEABRN Fc1cccnc1OC[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247488595 464685498 /nfs/dbraw/zinc/68/54/98/464685498.db2.gz ASNSTCQCUPZGSN-OAHLLOKOSA-N 0 0 332.379 2.032 40 0 EEABRN Cc1ccc(N2CC3(C2)OCC[C@@H]3CCOCc2cccnc2)nn1 ZINC000247896099 464713768 /nfs/dbraw/zinc/71/37/68/464713768.db2.gz HBXWOYLNYMIWQG-KRWDZBQOSA-N 0 0 340.427 2.382 40 0 EEABRN Cc1ccc(CN2CCn3cc(CC(=O)N(C)C)nc3[C@@H]2C)s1 ZINC000248008980 464723127 /nfs/dbraw/zinc/72/31/27/464723127.db2.gz OXBQZFFTSJJOIH-ZDUSSCGKSA-N 0 0 332.473 2.461 40 0 EEABRN Cc1cc(C)c(N2CC[C@@H](N3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852663 464732191 /nfs/dbraw/zinc/73/21/91/464732191.db2.gz PQVOYGFNPQTDPQ-MRXNPFEDSA-N 0 0 330.428 2.166 40 0 EEABRN CC(C)(C)n1cc(CN2CCN(C(=O)c3cccs3)CC2)nn1 ZINC000191184363 464793238 /nfs/dbraw/zinc/79/32/38/464793238.db2.gz LFUPNIGCJODLTB-UHFFFAOYSA-N 0 0 333.461 2.053 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000248762312 464797998 /nfs/dbraw/zinc/79/79/98/464797998.db2.gz QWXVIXLOIVNCJR-YDHLFZDLSA-N 0 0 330.432 2.027 40 0 EEABRN Cc1cccc(CNC(=O)CN2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191218217 464801192 /nfs/dbraw/zinc/80/11/92/464801192.db2.gz RNPNMTUCMZEVJT-QGZVFWFLSA-N 0 0 344.484 2.135 40 0 EEABRN C[C@@H](O)CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000192444886 464925446 /nfs/dbraw/zinc/92/54/46/464925446.db2.gz VKXLRMQLOMSLKO-RISCZKNCSA-N 0 0 343.830 2.124 40 0 EEABRN C[C@H]1CN(C(=O)COc2ccc(-c3cnn(C)c3)cc2)C[C@H](C)O1 ZINC000252484097 464962293 /nfs/dbraw/zinc/96/22/93/464962293.db2.gz FOUAWWVSCJVURT-KBPBESRZSA-N 0 0 329.400 2.102 40 0 EEABRN Cc1cscc1CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000252490073 464967182 /nfs/dbraw/zinc/96/71/82/464967182.db2.gz KIKMCCCGLWWONL-HIFRSBDPSA-N 0 0 338.473 2.423 40 0 EEABRN Cc1nccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n1 ZINC000252507641 464973684 /nfs/dbraw/zinc/97/36/84/464973684.db2.gz WQKPGKMTCMMRIM-SJWGOKEGSA-N 0 0 332.448 2.256 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000192693074 464978143 /nfs/dbraw/zinc/97/81/43/464978143.db2.gz ZQJALDHZPZNJLH-STQMWFEESA-N 0 0 328.420 2.358 40 0 EEABRN COCCn1cc2c(n1)[C@@H](NC(=O)c1cn(C(C)C)cn1)CCC2 ZINC000253394836 464998783 /nfs/dbraw/zinc/99/87/83/464998783.db2.gz BVNQQPYMWUMQJB-AWEZNQCLSA-N 0 0 331.420 2.114 40 0 EEABRN O=C(NCCc1cnc(C2CC2)nc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000253413932 465003029 /nfs/dbraw/zinc/00/30/29/465003029.db2.gz TZXPZUFIEXRADY-OAHLLOKOSA-N 0 0 340.431 2.209 40 0 EEABRN COc1ccc2nc(CSc3nnnn3-c3ccccc3)[nH]c2n1 ZINC000253425343 465010753 /nfs/dbraw/zinc/01/07/53/465010753.db2.gz GFTDRZWFDARAKM-UHFFFAOYSA-N 0 0 339.384 2.235 40 0 EEABRN O=S(=O)(c1cccc(F)c1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000253426666 465011198 /nfs/dbraw/zinc/01/11/98/465011198.db2.gz ICTLHFRRQNQGKF-OAHLLOKOSA-N 0 0 336.388 2.201 40 0 EEABRN O=C(NC1CC1)c1nc2c(s1)C[C@@H](NC(=O)C1CCCC1)CC2 ZINC000306127582 466488210 /nfs/dbraw/zinc/48/82/10/466488210.db2.gz GCUDSAXWUGPJPQ-LBPRGKRZSA-N 0 0 333.457 2.199 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CC)cc1 ZINC000408536258 466680295 /nfs/dbraw/zinc/68/02/95/466680295.db2.gz YXUDQPHDSYQHMY-CYBMUJFWSA-N 0 0 342.461 2.059 40 0 EEABRN O=C([O-])c1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000392980778 467430217 /nfs/dbraw/zinc/43/02/17/467430217.db2.gz QUZYRHJLTULJBK-UHFFFAOYSA-N 0 0 345.443 2.402 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@@H]4C)C3)C2)cs1 ZINC000575403731 468141391 /nfs/dbraw/zinc/14/13/91/468141391.db2.gz JINVJGWKJNTDLO-NILFDRSVSA-N 0 0 336.457 2.384 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000575404399 468141508 /nfs/dbraw/zinc/14/15/08/468141508.db2.gz LYCZPULROVWYKR-JLSDUUJJSA-N 0 0 325.412 2.467 40 0 EEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)c4cc[nH]n4)C3)C2)n1 ZINC000575403742 468141918 /nfs/dbraw/zinc/14/19/18/468141918.db2.gz NKDXYLXBYSWLBI-CQSZACIVSA-N 0 0 344.440 2.030 40 0 EEABRN O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1ccccc1 ZINC000575403666 468141961 /nfs/dbraw/zinc/14/19/61/468141961.db2.gz JWQZUOXHDNYBJE-OAHLLOKOSA-N 0 0 342.439 2.224 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2)C1(F)CC1 ZINC000575405748 468141985 /nfs/dbraw/zinc/14/19/85/468141985.db2.gz ZRKISYMQAYQJSU-CYBMUJFWSA-N 0 0 329.437 2.018 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(CSc3ccccc3OC)n2C1 ZINC000601044886 468729749 /nfs/dbraw/zinc/72/97/49/468729749.db2.gz SHBBXAPIZDOZDT-NSHDSACASA-N 0 0 333.413 2.314 40 0 EEABRN O=C1N(CC2CCC2)CC[C@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093073 468962763 /nfs/dbraw/zinc/96/27/63/468962763.db2.gz YDLBKXOMQUCKEC-INIZCTEOSA-N 0 0 338.402 2.270 40 0 EEABRN O=C(N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1)C1(F)CCC1 ZINC000585100956 468969401 /nfs/dbraw/zinc/96/94/01/468969401.db2.gz KZEVVTNSKUCRFM-KRWDZBQOSA-N 0 0 331.391 2.319 40 0 EEABRN CC1CC(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)C1 ZINC000585108641 468973657 /nfs/dbraw/zinc/97/36/57/468973657.db2.gz PUHCLFQDPMZXJN-HELJDXQESA-N 0 0 330.428 2.403 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 ZINC000585109665 468973678 /nfs/dbraw/zinc/97/36/78/468973678.db2.gz YWZDLBWHBDSDGZ-BRWVUGGUSA-N 0 0 346.402 2.114 40 0 EEABRN CCOC[C@H](NC(=O)Nc1cccc(F)c1S(C)(=O)=O)C(C)C ZINC000585140318 468988525 /nfs/dbraw/zinc/98/85/25/468988525.db2.gz BRISRDPEUGJZSY-ZDUSSCGKSA-N 0 0 346.424 2.412 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCCn2ccnc2)C1 ZINC000585276909 469002427 /nfs/dbraw/zinc/00/24/27/469002427.db2.gz PXQHOGCVDXBZAB-LJQANCHMSA-N 0 0 343.427 2.014 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2nc(C)nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585280728 469008461 /nfs/dbraw/zinc/00/84/61/469008461.db2.gz ODKZXFNTDGQFNW-MSOLQXFVSA-N 0 0 342.443 2.001 40 0 EEABRN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccccc1 ZINC000585287910 469010323 /nfs/dbraw/zinc/01/03/23/469010323.db2.gz HDBFRYZVUDYCLH-HNAYVOBHSA-N 0 0 330.428 2.365 40 0 EEABRN CCc1nc2sccc2c(N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)n1 ZINC000631329795 470122880 /nfs/dbraw/zinc/12/28/80/470122880.db2.gz JKSFRCFUITZRJJ-SECBINFHSA-N 0 0 343.412 2.449 40 0 EEABRN Cc1cccc2ncnc(N3CCN(CCc4cnccn4)CC3)c12 ZINC000631535269 470158775 /nfs/dbraw/zinc/15/87/75/470158775.db2.gz WJDFPFOEQKQUBR-UHFFFAOYSA-N 0 0 334.427 2.093 40 0 EEABRN COc1nnc(NC(=O)N2CCC[C@H]2c2nc(C)cs2)s1 ZINC000640043256 470768003 /nfs/dbraw/zinc/76/80/03/470768003.db2.gz IJSHFZSJGZUDQB-QMMMGPOBSA-N 0 0 325.419 2.681 40 0 EEABRN O=C([O-])C[C@@H]1CCCC[N@@H+]1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000650503971 470895079 /nfs/dbraw/zinc/89/50/79/470895079.db2.gz IRSRDPYZELRBHD-INCKADGYSA-N 0 0 334.460 2.257 40 0 EEABRN Cc1nnsc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000644731550 471023133 /nfs/dbraw/zinc/02/31/33/471023133.db2.gz KPJMKARTLZJYDN-CQSZACIVSA-N 0 0 344.440 2.015 40 0 EEABRN O=C(Nc1cnccn1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390826583 485667615 /nfs/dbraw/zinc/66/76/15/485667615.db2.gz APEOKEFNMXJIHZ-UHFFFAOYSA-N 0 0 332.367 2.009 40 0 EEABRN CC(=O)N1CCC[C@H]2N(C(=O)COc3ccccc3)CCC[C@@]21C ZINC000257308872 534777047 /nfs/dbraw/zinc/77/70/47/534777047.db2.gz TYOQGHAHBWEJJS-MJGOQNOKSA-N 0 0 330.428 2.457 40 0 EEABRN CC(=O)N1CCO[C@](C)(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000257209536 534802588 /nfs/dbraw/zinc/80/25/88/534802588.db2.gz BQUCXAMPBQCCIU-HNNXBMFYSA-N 0 0 325.434 2.017 40 0 EEABRN Cn1cc(-c2cc(C(=O)NCCCc3ccc(F)cc3)[nH]n2)cn1 ZINC000012143749 527129272 /nfs/dbraw/zinc/12/92/72/527129272.db2.gz PHWQDUAEHYXYCR-UHFFFAOYSA-N 0 0 327.363 2.312 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC1CCCCC1 ZINC000408709441 527726923 /nfs/dbraw/zinc/72/69/23/527726923.db2.gz TTXLHAZVYZBNTG-UHFFFAOYSA-N 0 0 331.416 2.212 40 0 EEABRN Cc1cc(NC(=O)[C@@]2(c3ccccc3)CCCO2)c(N(C)C)nn1 ZINC000906020984 783642788 /nfs/dbraw/zinc/64/27/88/783642788.db2.gz ALQNVMQEGDVDRH-SFHVURJKSA-N 0 0 326.400 2.495 40 0 EEABRN O=C(c1ccc(Cl)cc1F)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549167479 1121135234 /nfs/dbraw/zinc/13/52/34/1121135234.db2.gz PFPKXQDWWLAGJK-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN COc1cccc([C@@H]2COS(=O)(=O)N2C(=O)OC(C)(C)C)c1 ZINC001542984415 1124118839 /nfs/dbraw/zinc/11/88/39/1124118839.db2.gz SFMXLBYMOOQJHZ-LBPRGKRZSA-N 0 0 329.374 2.248 40 0 EEABRN CC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004575185 210225398 /nfs/dbraw/zinc/22/53/98/210225398.db2.gz HBOSBBMQSRTJCP-SMDDNHRTSA-N 0 0 344.864 2.408 40 0 EEABRN COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004554518 210220549 /nfs/dbraw/zinc/22/05/49/210220549.db2.gz KHWAXCQXYPEYPX-LZDSYCOUSA-N 0 0 342.395 2.055 40 0 EEABRN O=C(c1ccco1)C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(O)=C12 ZINC000100355141 219097496 /nfs/dbraw/zinc/09/74/96/219097496.db2.gz ZSSRQXHPMMZSJB-BXUZGUMPSA-N 0 0 344.710 2.060 40 0 EEABRN CN(CC1(CO)CC1)C(=O)NCCc1ccc(Br)s1 ZINC000186857317 529853622 /nfs/dbraw/zinc/85/36/22/529853622.db2.gz ZNOQRWYQXPHXCP-UHFFFAOYSA-N 0 0 347.278 2.467 40 0 EEABRN COc1ccc(N2C(=O)C[C@H](Nc3cccc(OC)c3)C2=O)cc1 ZINC000101275973 219120791 /nfs/dbraw/zinc/12/07/91/219120791.db2.gz RVUZTEAPDAKHQK-INIZCTEOSA-N 0 0 326.352 2.448 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2C)cc1 ZINC000042646231 213521115 /nfs/dbraw/zinc/52/11/15/213521115.db2.gz BDXYGRUPNRBNOV-UHFFFAOYSA-N 0 0 330.359 2.440 40 0 EEABRN C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)n1ccnc1 ZINC000068353413 215302693 /nfs/dbraw/zinc/30/26/93/215302693.db2.gz TVZDRUCNDXLFGG-RISCZKNCSA-N 0 0 348.403 2.123 40 0 EEABRN COc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H](C)O)cc1 ZINC000068561873 215319053 /nfs/dbraw/zinc/31/90/53/215319053.db2.gz QYHICOZNDUCXDX-CSMYWGQOSA-N 0 0 343.452 2.444 40 0 EEABRN O=C(N[C@@H]1COc2ccccc2C1=O)[C@@H]1CCCN1c1ccccc1 ZINC000333008226 539800591 /nfs/dbraw/zinc/80/05/91/539800591.db2.gz PVNHYJAXTZAVGI-SJORKVTESA-N 0 0 336.391 2.416 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@]1(C)Oc2ccc(C)cc2NC1=O ZINC000040778999 213386042 /nfs/dbraw/zinc/38/60/42/213386042.db2.gz DJXJEODHDFXKNE-QGZVFWFLSA-N 0 0 328.372 2.074 40 0 EEABRN Cn1ncc(CNC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000685939084 539988860 /nfs/dbraw/zinc/98/88/60/539988860.db2.gz ZGWQDLALXUCMIO-GFCCVEGCSA-N 0 0 335.358 2.183 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 ZINC000040457001 213306500 /nfs/dbraw/zinc/30/65/00/213306500.db2.gz QLZXWALINXVUID-NSHDSACASA-N 0 0 328.459 2.345 40 0 EEABRN O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040073433 213258284 /nfs/dbraw/zinc/25/82/84/213258284.db2.gz MKERJZHBJBIRHG-SNVBAGLBSA-N 0 0 334.725 2.367 40 0 EEABRN Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)n1 ZINC000038755671 213224570 /nfs/dbraw/zinc/22/45/70/213224570.db2.gz UXCAJWJEDBMQPC-NSHDSACASA-N 0 0 342.424 2.111 40 0 EEABRN COC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 ZINC000035313325 213020636 /nfs/dbraw/zinc/02/06/36/213020636.db2.gz NDBUJUWPOARGCO-UHFFFAOYSA-N 0 0 331.353 2.185 40 0 EEABRN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(N)=O ZINC000000422264 209584916 /nfs/dbraw/zinc/58/49/16/209584916.db2.gz MTMJWCFEIWJXDA-UHFFFAOYSA-N 0 0 325.825 2.141 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472530 237008661 /nfs/dbraw/zinc/00/86/61/237008661.db2.gz FEFIVJRHPXMZAQ-INIZCTEOSA-N 0 0 348.468 2.482 40 0 EEABRN Cc1cc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)no1 ZINC000000414180 209578471 /nfs/dbraw/zinc/57/84/71/209578471.db2.gz CSNOJWRFGQVKBY-UHFFFAOYSA-N 0 0 344.400 2.306 40 0 EEABRN Cc1ccccc1CNS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238934 216077264 /nfs/dbraw/zinc/07/72/64/216077264.db2.gz GJEDIYHULUQUEX-UHFFFAOYSA-N 0 0 328.397 2.054 40 0 EEABRN Cn1nc(C(=O)NCC(=O)C(C)(C)C)cc1OCc1ccccc1 ZINC000072256749 216084987 /nfs/dbraw/zinc/08/49/87/216084987.db2.gz PQBMAVQNFABFDT-UHFFFAOYSA-N 0 0 329.400 2.344 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@H](c3nccnc3-n3ccnc3)C2)n1 ZINC000072369194 216175861 /nfs/dbraw/zinc/17/58/61/216175861.db2.gz BBGISXUPXSDKTR-HNNXBMFYSA-N 0 0 335.415 2.453 40 0 EEABRN CN(Cc1c2cccnc2[nH]c1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000072393640 216192886 /nfs/dbraw/zinc/19/28/86/216192886.db2.gz WVEVXDAVYMYOSL-GFCCVEGCSA-N 0 0 335.473 2.479 40 0 EEABRN COc1ccc2[nH]cc(CCn3c(NN)nc4ccccc4c3=O)c2c1 ZINC000408712709 238296943 /nfs/dbraw/zinc/29/69/43/238296943.db2.gz JVWYBTSAJVDBPW-UHFFFAOYSA-N 0 0 349.394 2.415 40 0 EEABRN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)[C@H](c2ccccc2)CO1 ZINC000190920979 238802641 /nfs/dbraw/zinc/80/26/41/238802641.db2.gz HOWCEJZUWUNOHS-YPMHNXCESA-N 0 0 341.337 2.197 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000193464588 240175905 /nfs/dbraw/zinc/17/59/05/240175905.db2.gz FXGDVYBQTNHWTB-LBPRGKRZSA-N 0 0 344.502 2.288 40 0 EEABRN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)N1CCc2ccccc21 ZINC000193478340 240180878 /nfs/dbraw/zinc/18/08/78/240180878.db2.gz HRGYLMDCCPWHBU-HNNXBMFYSA-N 0 0 336.395 2.068 40 0 EEABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O ZINC000022273539 212288089 /nfs/dbraw/zinc/28/80/89/212288089.db2.gz ILESOOPGEHLLHO-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN COc1ccc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1OC ZINC000216294963 241180846 /nfs/dbraw/zinc/18/08/46/241180846.db2.gz ATCRWVGFUNUOST-NWDGAFQWSA-N 0 0 325.430 2.480 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Cl)cc(F)c1N ZINC000225562110 241930642 /nfs/dbraw/zinc/93/06/42/241930642.db2.gz ZORLDMHIEKJQMZ-LLVKDONJSA-N 0 0 337.786 2.480 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccccc1 ZINC000225881021 242069112 /nfs/dbraw/zinc/06/91/12/242069112.db2.gz YYERVPMLRUKGLO-UHFFFAOYSA-N 0 0 325.415 2.100 40 0 EEABRN CNC(=S)Nc1nc(Sc2ncccn2)cc(C(F)(F)F)n1 ZINC000225880741 242069228 /nfs/dbraw/zinc/06/92/28/242069228.db2.gz DBQMGIHXAWCUAU-UHFFFAOYSA-N 0 0 346.363 2.353 40 0 EEABRN Cc1nc(SCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1 ZINC000225897968 242073183 /nfs/dbraw/zinc/07/31/83/242073183.db2.gz AMEHWLZLFRQCQX-UHFFFAOYSA-N 0 0 329.385 2.290 40 0 EEABRN CO[C@H](CSc1nnc(C)n1CC(N)=O)c1ccc(Cl)cc1 ZINC000252492084 243802618 /nfs/dbraw/zinc/80/26/18/243802618.db2.gz MBXHPZNENKUDJM-GFCCVEGCSA-N 0 0 340.836 2.205 40 0 EEABRN O=C(CSC1=Nc2ccccc2C1)NCCCN1CCCC1=O ZINC000252491024 243799044 /nfs/dbraw/zinc/79/90/44/243799044.db2.gz LIPZZVIMTFSUKI-UHFFFAOYSA-N 0 0 331.441 2.135 40 0 EEABRN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000020458371 212132886 /nfs/dbraw/zinc/13/28/86/212132886.db2.gz GUZGGKCVPJENKA-WOSRLPQWSA-N 0 0 334.441 2.280 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccc[nH]c3=O)CC2)n1 ZINC000253535818 244008587 /nfs/dbraw/zinc/00/85/87/244008587.db2.gz FNCAUHFKYJQQPM-HDJSIYSDSA-N 0 0 342.399 2.314 40 0 EEABRN COC(=O)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000020447693 212129658 /nfs/dbraw/zinc/12/96/58/212129658.db2.gz QFPUVYUURISAPX-UHFFFAOYSA-N 0 0 327.336 2.426 40 0 EEABRN CCCn1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000257206367 244136967 /nfs/dbraw/zinc/13/69/67/244136967.db2.gz BDBFXSNDMAWWDT-HNNXBMFYSA-N 0 0 348.472 2.179 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)s1 ZINC000257204259 244127605 /nfs/dbraw/zinc/12/76/05/244127605.db2.gz ATTATVYVOOTFGG-GFCCVEGCSA-N 0 0 332.429 2.374 40 0 EEABRN COCC[N@@H+]1CC[C@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1 ZINC000257210408 244150992 /nfs/dbraw/zinc/15/09/92/244150992.db2.gz BUMFGFRPDLZNLL-CQSZACIVSA-N 0 0 341.411 2.353 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257212754 244157011 /nfs/dbraw/zinc/15/70/11/244157011.db2.gz CEUSWKADXAHITL-GOSISDBHSA-N 0 0 341.411 2.438 40 0 EEABRN COCCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2nc(C)c[nH]2)n1 ZINC000257243893 244251335 /nfs/dbraw/zinc/25/13/35/244251335.db2.gz IJANYGZVVSEYDX-AWEZNQCLSA-N 0 0 329.404 2.184 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257233744 244222881 /nfs/dbraw/zinc/22/28/81/244222881.db2.gz GQOCKDTUTKPMMN-AWEZNQCLSA-N 0 0 343.431 2.273 40 0 EEABRN COc1ccc([C@H]2Cn3c(C)cnc3CN2C(=O)c2ccnnc2)cc1 ZINC000257248018 244259566 /nfs/dbraw/zinc/25/95/66/244259566.db2.gz JBRSCUNCFIJANE-QGZVFWFLSA-N 0 0 349.394 2.387 40 0 EEABRN CCn1nccc1-c1cc([C@H]2CCCN(C(=O)COC)C2)nc(C)n1 ZINC000257255436 244281422 /nfs/dbraw/zinc/28/14/22/244281422.db2.gz KHLYWTKNWGBBIU-AWEZNQCLSA-N 0 0 343.431 2.021 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257256480 244283829 /nfs/dbraw/zinc/28/38/29/244283829.db2.gz KLRJBHWZNXAJOR-HKUYNNGSSA-N 0 0 348.443 2.212 40 0 EEABRN Cc1ccnc([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258405 244290464 /nfs/dbraw/zinc/29/04/64/244290464.db2.gz KTSPDJXVSJHAGG-HNNXBMFYSA-N 0 0 331.441 2.178 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)CO[C@@H](Cc2ccc(F)cc2)C3)cn1 ZINC000257259715 244293270 /nfs/dbraw/zinc/29/32/70/244293270.db2.gz KZQLSRPZAIEWHI-INIZCTEOSA-N 0 0 329.375 2.033 40 0 EEABRN O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 ZINC000020104763 212101127 /nfs/dbraw/zinc/10/11/27/212101127.db2.gz LJGDQEBGSWOMIW-UHFFFAOYSA-N 0 0 331.372 2.490 40 0 EEABRN CCCn1nccc1-c1ccc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000257266824 244364543 /nfs/dbraw/zinc/36/45/43/244364543.db2.gz MERKQFINLNQJAC-OAHLLOKOSA-N 0 0 348.472 2.179 40 0 EEABRN Cc1ncc(-c2cncc(C[C@H]3CCCN(c4ncccn4)C3)n2)n1C ZINC000257275325 244390897 /nfs/dbraw/zinc/39/08/97/244390897.db2.gz NOWFXIDXKVVLMU-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](c2ccncc2)C1 ZINC000257278346 244397581 /nfs/dbraw/zinc/39/75/81/244397581.db2.gz OBWUHICLYXBCJD-KRWDZBQOSA-N 0 0 336.395 2.491 40 0 EEABRN Nc1nccnc1[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291926 244437102 /nfs/dbraw/zinc/43/71/02/244437102.db2.gz QJGUOXGBXSQKMU-HNNXBMFYSA-N 0 0 336.399 2.022 40 0 EEABRN Nc1cccc([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 ZINC000257332435 244553954 /nfs/dbraw/zinc/55/39/54/244553954.db2.gz XXIFCIASTUIEMI-ZDUSSCGKSA-N 0 0 325.359 2.389 40 0 EEABRN CNc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1CN(C)CC2 ZINC000019753790 212062213 /nfs/dbraw/zinc/06/22/13/212062213.db2.gz MEOMKIJOTHKRSL-AWEZNQCLSA-N 0 0 343.475 2.012 40 0 EEABRN CCc1noc(C)c1C(=O)N1CC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000019747814 212061359 /nfs/dbraw/zinc/06/13/59/212061359.db2.gz SDMVTBXYZVNKOX-GFCCVEGCSA-N 0 0 328.372 2.041 40 0 EEABRN CC(C)OCC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746101 212060177 /nfs/dbraw/zinc/06/01/77/212060177.db2.gz JYQXAHLDRYPGMI-UHFFFAOYSA-N 0 0 334.351 2.024 40 0 EEABRN COCCC(=O)N[C@@H](c1nc2c3c(C)c(C)oc3ncn2n1)C(C)C ZINC000019559472 212042486 /nfs/dbraw/zinc/04/24/86/212042486.db2.gz NFKPTZHMPCWGTB-CQSZACIVSA-N 0 0 345.403 2.337 40 0 EEABRN CCN(C(=O)[C@]1(C)CC1(Cl)Cl)[C@@H](C)CS(=O)(=O)CC ZINC000079041671 284249892 /nfs/dbraw/zinc/24/98/92/284249892.db2.gz GCAFMJZTGSJTLF-ONGXEEELSA-N 0 0 330.277 2.242 40 0 EEABRN C[C@@H](O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N ZINC000255190600 296177271 /nfs/dbraw/zinc/17/72/71/296177271.db2.gz YGOIXJHHWCOOOI-ROKHWSDSSA-N 0 0 326.462 2.219 40 0 EEABRN Cc1ccccc1NC(=O)CN1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483622 214012811 /nfs/dbraw/zinc/01/28/11/214012811.db2.gz CGYUFZBFBDGWDT-UHFFFAOYSA-N 0 0 349.394 2.478 40 0 EEABRN Nc1c(C(=O)[C@@H]2CCCN2C(=O)C2CC2)cnn1-c1cccc(F)c1 ZINC000019294352 212013083 /nfs/dbraw/zinc/01/30/83/212013083.db2.gz FLRQOLDRTIWPBT-HNNXBMFYSA-N 0 0 342.374 2.177 40 0 EEABRN COc1ccc(C(N)=O)cc1NC(=O)N(Cc1cccnc1)C1CC1 ZINC000078407026 217049819 /nfs/dbraw/zinc/04/98/19/217049819.db2.gz LKQLTMUMBCBHMR-UHFFFAOYSA-N 0 0 340.383 2.386 40 0 EEABRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)O[C@H]1CCCc2ccccc21 ZINC000078445828 217053183 /nfs/dbraw/zinc/05/31/83/217053183.db2.gz MTCPRTKNMOSWPB-INIZCTEOSA-N 0 0 337.379 2.494 40 0 EEABRN COCCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000078441801 217053572 /nfs/dbraw/zinc/05/35/72/217053572.db2.gz YYRXODFYNBURGS-UHFFFAOYSA-N 0 0 330.388 2.272 40 0 EEABRN NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000078546792 217072807 /nfs/dbraw/zinc/07/28/07/217072807.db2.gz ANFNVYVKCNKENX-CYBMUJFWSA-N 0 0 343.427 2.295 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC000078604100 217085835 /nfs/dbraw/zinc/08/58/35/217085835.db2.gz ZZRSJZJRFDDFAA-SFHVURJKSA-N 0 0 341.459 2.148 40 0 EEABRN CCOC(=O)Nc1ccc(OC(=O)C2CCN(C(C)=O)CC2)cc1 ZINC000078659370 217097149 /nfs/dbraw/zinc/09/71/49/217097149.db2.gz ZWKBGLXQSYDPNX-UHFFFAOYSA-N 0 0 334.372 2.419 40 0 EEABRN Cc1ncccc1C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000078666317 217097829 /nfs/dbraw/zinc/09/78/29/217097829.db2.gz YZVMZCBXXIOCEK-UHFFFAOYSA-N 0 0 341.386 2.056 40 0 EEABRN O=S(=O)(c1ccc(CSC[C@@H]2CCCO2)o1)N1CCCC1 ZINC000078714506 217107931 /nfs/dbraw/zinc/10/79/31/217107931.db2.gz NXFIXNOTGLWBIN-LBPRGKRZSA-N 0 0 331.459 2.476 40 0 EEABRN CO[C@@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000078879478 217137687 /nfs/dbraw/zinc/13/76/87/217137687.db2.gz OHHMSUSZPAYGLD-HUUCEWRRSA-N 0 0 334.416 2.500 40 0 EEABRN O=C(c1ccnc(C2CC2)n1)N1CCN(c2cccc(Cl)n2)CC1 ZINC000078990299 217167610 /nfs/dbraw/zinc/16/76/10/217167610.db2.gz QEJBOSLKWCIZHK-UHFFFAOYSA-N 0 0 343.818 2.365 40 0 EEABRN CO[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000078997664 217169835 /nfs/dbraw/zinc/16/98/35/217169835.db2.gz MVEXNLKWGZFXPD-NVXWUHKLSA-N 0 0 342.370 2.435 40 0 EEABRN CCc1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCO3)cc1 ZINC000079350663 217212636 /nfs/dbraw/zinc/21/26/36/217212636.db2.gz KXEGPWCRSOHQDB-UHFFFAOYSA-N 0 0 338.407 2.481 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000079939990 217265418 /nfs/dbraw/zinc/26/54/18/217265418.db2.gz YQCUOLRQGVKFAP-ZDUSSCGKSA-N 0 0 348.838 2.030 40 0 EEABRN COC(=O)[C@@]1(F)CCN(C(=O)NC[C@H](C)Cc2cccs2)C1 ZINC000080705888 217327174 /nfs/dbraw/zinc/32/71/74/217327174.db2.gz JSPBWJIGYGYJOV-IAQYHMDHSA-N 0 0 328.409 2.223 40 0 EEABRN CCN(Cc1ccoc1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000081319647 217382223 /nfs/dbraw/zinc/38/22/23/217382223.db2.gz MVAJHYGPDPBTEX-UHFFFAOYSA-N 0 0 336.413 2.206 40 0 EEABRN C[C@H](O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N ZINC000255190599 299457876 /nfs/dbraw/zinc/45/78/76/299457876.db2.gz YGOIXJHHWCOOOI-MOKVOYLWSA-N 0 0 326.462 2.219 40 0 EEABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084209343 217586108 /nfs/dbraw/zinc/58/61/08/217586108.db2.gz JWCPDRRXFJRDTN-SNVBAGLBSA-N 0 0 348.251 2.313 40 0 EEABRN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1C(F)(F)F ZINC000084621809 217622037 /nfs/dbraw/zinc/62/20/37/217622037.db2.gz AFPHHODEZGKMSS-CMPLNLGQSA-N 0 0 344.333 2.258 40 0 EEABRN O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCOc2cccc(F)c21 ZINC000184903377 296271295 /nfs/dbraw/zinc/27/12/95/296271295.db2.gz LLLGBPWRTHUHRZ-ZDUSSCGKSA-N 0 0 344.342 2.428 40 0 EEABRN Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@@H]2C[C@@H]2C)on1 ZINC000012337715 211351404 /nfs/dbraw/zinc/35/14/04/211351404.db2.gz MVQZDNWJYLDAOV-CMPLNLGQSA-N 0 0 329.404 2.120 40 0 EEABRN CN(CCO)Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000012365421 211357573 /nfs/dbraw/zinc/35/75/73/211357573.db2.gz NIOFBAFNLDSYOL-UHFFFAOYSA-N 0 0 332.404 2.267 40 0 EEABRN Cc1cc(C)c(-n2cccn2)c(CN(C)[C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000012188668 211314515 /nfs/dbraw/zinc/31/45/15/211314515.db2.gz NQXIQKNVGCRCCB-SFHVURJKSA-N 0 0 347.484 2.498 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@@H](C)C3)n2)s1 ZINC000012181740 211311847 /nfs/dbraw/zinc/31/18/47/211311847.db2.gz BQYYLNOHALDMSX-LLVKDONJSA-N 0 0 346.456 2.121 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012222007 211324230 /nfs/dbraw/zinc/32/42/30/211324230.db2.gz CUUIXPCPFRHEAG-DOTOQJQBSA-N 0 0 331.460 2.060 40 0 EEABRN CCc1cc2cc3c(cc2n2c(=O)n(Cc4cccnc4)nc12)OCO3 ZINC000012117608 211298181 /nfs/dbraw/zinc/29/81/81/211298181.db2.gz PIXVZUUGPHMONQ-UHFFFAOYSA-N 0 0 348.362 2.384 40 0 EEABRN COc1ccccc1C[C@H](C)NC(=O)c1cc(-c2cnn(C)c2)n[nH]1 ZINC000012147260 211306453 /nfs/dbraw/zinc/30/64/53/211306453.db2.gz MGCOXEKWNHLXRH-LBPRGKRZSA-N 0 0 339.399 2.180 40 0 EEABRN O=C(CNC(=O)c1ncoc1-c1ccc(F)cc1)N1CCCCC1 ZINC000012145514 211306482 /nfs/dbraw/zinc/30/64/82/211306482.db2.gz DHTULFPGTLTCOD-UHFFFAOYSA-N 0 0 331.347 2.223 40 0 EEABRN CN1CC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1=O ZINC000095399493 218332642 /nfs/dbraw/zinc/33/26/42/218332642.db2.gz OSICXIUAWZNHSK-ADEWGFFLSA-N 0 0 342.226 2.379 40 0 EEABRN O=C(c1ccoc1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC000096058103 218549673 /nfs/dbraw/zinc/54/96/73/218549673.db2.gz IOUHYJQZDBQUHG-BBWFWOEESA-N 0 0 328.368 2.263 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058022 218549929 /nfs/dbraw/zinc/54/99/29/218549929.db2.gz QTLIQFCCXMTQSR-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN COc1ccc(CC(=O)NCc2nn(C)c3c2CCCC3)cc1OC ZINC000096099141 218592435 /nfs/dbraw/zinc/59/24/35/218592435.db2.gz DJGLYNHTOPHVKE-UHFFFAOYSA-N 0 0 343.427 2.175 40 0 EEABRN COc1ncc(NC(=O)c2cc(Cl)ccc2OC)c(N(C)C)n1 ZINC000096121374 218612866 /nfs/dbraw/zinc/61/28/66/218612866.db2.gz PUKPKAMXSORJLF-UHFFFAOYSA-N 0 0 336.779 2.466 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CC[C@H]2OC)cc1 ZINC000096110280 218605739 /nfs/dbraw/zinc/60/57/39/218605739.db2.gz NNJXQRHAUJCDNJ-MAUKXSAKSA-N 0 0 343.427 2.149 40 0 EEABRN O=C(c1cccnc1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096110423 218605817 /nfs/dbraw/zinc/60/58/17/218605817.db2.gz RLEFYFIBSRZHRR-APWZRJJASA-N 0 0 339.395 2.177 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000096181690 218643215 /nfs/dbraw/zinc/64/32/15/218643215.db2.gz MKAJWTZIUMECJS-DLBZAZTESA-N 0 0 328.343 2.363 40 0 EEABRN CN(C)S(=O)(=O)c1csc(C(=O)N2CCc3ccccc32)c1 ZINC000006680324 210679335 /nfs/dbraw/zinc/67/93/35/210679335.db2.gz VPHZHJCXSGWZNQ-UHFFFAOYSA-N 0 0 336.438 2.201 40 0 EEABRN O=C(NCCN1CCOCC1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183926 218646355 /nfs/dbraw/zinc/64/63/55/218646355.db2.gz SYKPPSLIRMUUOU-UHFFFAOYSA-N 0 0 334.347 2.273 40 0 EEABRN Cc1cc(C)cc(NC(=O)Cn2c3ccsc3c(=O)n(C)c2=O)c1 ZINC000006679576 210678272 /nfs/dbraw/zinc/67/82/72/210678272.db2.gz KOCAIHYLAZSXBV-UHFFFAOYSA-N 0 0 343.408 2.017 40 0 EEABRN Cc1cc(C(=O)NCCC(=O)Nc2cccc3cccnc32)n(C)n1 ZINC000096192457 218660983 /nfs/dbraw/zinc/66/09/83/218660983.db2.gz NWXRGJLCKMVIPO-UHFFFAOYSA-N 0 0 337.383 2.035 40 0 EEABRN Cc1cccc(CN2CCn3cc(CN4CCOCC4)nc3C2)c1 ZINC000096197302 218666584 /nfs/dbraw/zinc/66/65/84/218666584.db2.gz KPDIPDZVXXQFIY-UHFFFAOYSA-N 0 0 326.444 2.040 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224491 218700193 /nfs/dbraw/zinc/70/01/93/218700193.db2.gz NHHLCROQAOKAHB-HNAYVOBHSA-N 0 0 328.412 2.069 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC000096215664 218688605 /nfs/dbraw/zinc/68/86/05/218688605.db2.gz HKDJQZADLZKTNP-CRAIPNDOSA-N 0 0 344.436 2.449 40 0 EEABRN O=C(c1ccno1)N1CCC[C@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228961 218705524 /nfs/dbraw/zinc/70/55/24/218705524.db2.gz CRVIKHFKTZKZAG-IBGZPJMESA-N 0 0 341.411 2.434 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)c1 ZINC000096417749 218779743 /nfs/dbraw/zinc/77/97/43/218779743.db2.gz PVOSIXKTEPLIQL-GJZGRUSLSA-N 0 0 338.473 2.063 40 0 EEABRN C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(-n2ccnc2)cc1 ZINC000096462594 218844712 /nfs/dbraw/zinc/84/47/12/218844712.db2.gz JPELHHKBEVUSGR-RHSMWYFYSA-N 0 0 349.456 2.422 40 0 EEABRN C[C@@H](CS(=O)(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccccc1 ZINC000096482426 218857233 /nfs/dbraw/zinc/85/72/33/218857233.db2.gz KTQKPWAMGLXAIY-STQMWFEESA-N 0 0 334.445 2.008 40 0 EEABRN CCN(CC(C)(C)O)C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000096486069 218862227 /nfs/dbraw/zinc/86/22/27/218862227.db2.gz PYKOKAHYBALKNH-UHFFFAOYSA-N 0 0 330.432 2.390 40 0 EEABRN CC(=O)c1cccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000096496887 218874239 /nfs/dbraw/zinc/87/42/39/218874239.db2.gz ZVDOWRTUQOKBTO-CQSZACIVSA-N 0 0 327.388 2.425 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000096499740 218874573 /nfs/dbraw/zinc/87/45/73/218874573.db2.gz ITEWWAVGPPMYKV-OAHLLOKOSA-N 0 0 342.447 2.156 40 0 EEABRN Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000004965935 210342744 /nfs/dbraw/zinc/34/27/44/210342744.db2.gz IMJAYMJZLCKQMU-UHFFFAOYSA-N 0 0 340.383 2.369 40 0 EEABRN CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000097377984 219019005 /nfs/dbraw/zinc/01/90/05/219019005.db2.gz SZUKIGROGCVSEL-WFASDCNBSA-N 0 0 329.318 2.325 40 0 EEABRN O=C([O-])c1ccccc1-n1cnc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000257316254 304266848 /nfs/dbraw/zinc/26/68/48/304266848.db2.gz VEVNONUOUNSHON-UHFFFAOYSA-N 0 0 329.400 2.355 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000270867110 256181691 /nfs/dbraw/zinc/18/16/91/256181691.db2.gz VNIGKGBXWCMRIF-MRXNPFEDSA-N 0 0 338.411 2.346 40 0 EEABRN CNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409005803 257882870 /nfs/dbraw/zinc/88/28/70/257882870.db2.gz WGKBYOBYNNSPKA-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000408706652 533480741 /nfs/dbraw/zinc/48/07/41/533480741.db2.gz BTOLAAVLWOPTAF-HNNXBMFYSA-N 0 0 340.423 2.274 40 0 EEABRN c1csc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)c1 ZINC000035289114 132389467 /nfs/dbraw/zinc/38/94/67/132389467.db2.gz ZDQUHOASXPLMBL-UHFFFAOYSA-N 0 0 340.456 2.105 40 0 EEABRN O=C(CCn1cncn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066687007 159002298 /nfs/dbraw/zinc/00/22/98/159002298.db2.gz PDXVJCZELNUFEK-CQSZACIVSA-N 0 0 338.770 2.061 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCCc2c[nH]nc21)n1ccc2ccccc2c1=O ZINC000288335910 275047771 /nfs/dbraw/zinc/04/77/71/275047771.db2.gz VOYPOOZYWOZSPT-BLLLJJGKSA-N 0 0 336.395 2.479 40 0 EEABRN CC(C)c1cc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cs1 ZINC000017067771 278015242 /nfs/dbraw/zinc/01/52/42/278015242.db2.gz FJKQYGRTKJGUGS-DJBIQUGXSA-N 0 0 330.409 2.323 40 0 EEABRN CCOc1ccc(-c2nnn(CC(=O)Nc3nc(C)cs3)n2)cc1 ZINC000000418519 279950396 /nfs/dbraw/zinc/95/03/96/279950396.db2.gz SNTPHMPMJZLHGI-UHFFFAOYSA-N 0 0 344.400 2.142 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=N[C@H]2c1ccncc1 ZINC000007499346 280305764 /nfs/dbraw/zinc/30/57/64/280305764.db2.gz HLTLOJHHUBINQZ-MRXNPFEDSA-N 0 0 332.367 2.387 40 0 EEABRN Cc1cc(C(=O)Nc2nc[nH]n2)nn1-c1ccc(Br)cc1 ZINC000079782551 280374779 /nfs/dbraw/zinc/37/47/79/280374779.db2.gz ISNDPKYCHFVVQP-UHFFFAOYSA-N 0 0 347.176 2.314 40 0 EEABRN Cn1cc([C@@H]2C[C@H]2C(=O)O[C@@H](c2nccn2C)C(F)(F)F)cn1 ZINC000195530030 294288367 /nfs/dbraw/zinc/28/83/67/294288367.db2.gz OOJQFIXOCOZWFJ-AXFHLTTASA-N 0 0 328.294 2.104 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCCN(C)c3ccc(Cl)cc32)c1 ZINC000096428432 294454926 /nfs/dbraw/zinc/45/49/26/294454926.db2.gz CIOBBBZGUYYRLX-UHFFFAOYSA-N 0 0 340.836 2.109 40 0 EEABRN O=C(C1CC=CC1)N1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158355 295438387 /nfs/dbraw/zinc/43/83/87/295438387.db2.gz QVGYMZBJIHOOIG-GOSISDBHSA-N 0 0 330.407 2.401 40 0 EEABRN O=C1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@@H]5[C@H]67)[C@@H]1[C@@H]4[C@@H]32 ZINC000104285495 304695080 /nfs/dbraw/zinc/69/50/80/304695080.db2.gz ARFRDYHVQQQLHV-FOWLFVGVSA-N 0 0 328.408 2.408 40 0 EEABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)n1C ZINC000223610609 301845552 /nfs/dbraw/zinc/84/55/52/301845552.db2.gz RHJMWAZRZNLNII-CVEARBPZSA-N 0 0 330.457 2.083 40 0 EEABRN CC(C)S(=O)(=O)CC(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000330564843 311764239 /nfs/dbraw/zinc/76/42/39/311764239.db2.gz KJUXAFQEBBMMIK-HNNXBMFYSA-N 0 0 349.374 2.185 40 0 EEABRN COc1ccc(F)cc1CC(=O)N1CCNC(=O)c2ccccc21 ZINC000438946204 315058934 /nfs/dbraw/zinc/05/89/34/315058934.db2.gz IYQNHXHTFDIMPN-UHFFFAOYSA-N 0 0 328.343 2.153 40 0 EEABRN COc1ccccc1-n1c(NC(=O)c2cn[nH]n2)nc2ccccc21 ZINC000096426696 442126399 /nfs/dbraw/zinc/12/63/99/442126399.db2.gz ALURCNCLZQJIFC-UHFFFAOYSA-N 0 0 334.339 2.405 40 0 EEABRN Cc1noc([C@@H]2COCCN2C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000097098002 323320083 /nfs/dbraw/zinc/32/00/83/323320083.db2.gz GPDHXSJYMZCZPT-AWEZNQCLSA-N 0 0 340.339 2.247 40 0 EEABRN COC(=O)[C@H](NC(=O)c1ccnn1C)c1ccc(Cl)cc1Cl ZINC000097372060 323322526 /nfs/dbraw/zinc/32/25/26/323322526.db2.gz LCTWGPTVUQANDR-GFCCVEGCSA-N 0 0 342.182 2.371 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCCc1ccc(C)cc1)CC2 ZINC000163378947 323334502 /nfs/dbraw/zinc/33/45/02/323334502.db2.gz XMUDCVUUZYNKFK-QZTJIDSGSA-N 0 0 346.471 2.499 40 0 EEABRN Cc1nncn1CCNC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000186784505 323446518 /nfs/dbraw/zinc/44/65/18/323446518.db2.gz QUACZUNXBYUJPC-UHFFFAOYSA-N 0 0 345.403 2.208 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)cn1 ZINC000390833264 323545119 /nfs/dbraw/zinc/54/51/19/323545119.db2.gz FJDGNOXHMSFYPZ-UHFFFAOYSA-N 0 0 346.286 2.086 40 0 EEABRN Cc1nccn1C[C@H](C)CNC(=O)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000252489025 464965154 /nfs/dbraw/zinc/96/51/54/464965154.db2.gz JDURPQTYQJTIMP-CRAIPNDOSA-N 0 0 344.459 2.477 40 0 EEABRN O=C(CCc1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000085473388 462550313 /nfs/dbraw/zinc/55/03/13/462550313.db2.gz WRZGXJIULCIRLW-SFHVURJKSA-N 0 0 348.512 2.286 40 0 EEABRN CCN(C(=O)[C@H]1CCCN(c2ccc(=O)n(C)n2)C1)c1ccccc1 ZINC000085470885 462550711 /nfs/dbraw/zinc/55/07/11/462550711.db2.gz LGCONYMASXMAOA-HNNXBMFYSA-N 0 0 340.427 2.050 40 0 EEABRN Cc1nc(C)n(Cc2cccc(NC(=O)N(C)CC[C@@H](C)O)c2)n1 ZINC000085619101 462555590 /nfs/dbraw/zinc/55/55/90/462555590.db2.gz XCXGFKORPJBPBJ-GFCCVEGCSA-N 0 0 331.420 2.178 40 0 EEABRN CCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1 ZINC000000415609 462560063 /nfs/dbraw/zinc/56/00/63/462560063.db2.gz ZZMYMQSVJNJZLU-UHFFFAOYSA-N 0 0 347.444 2.212 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000086991630 462581878 /nfs/dbraw/zinc/58/18/78/462581878.db2.gz PRWJIUQAFWYYPH-CQSZACIVSA-N 0 0 342.447 2.459 40 0 EEABRN C[C@]12CC[C@@H]3C[C@@]1(C(N)=O)N(NC(=O)c1ccc(Cl)cc1)C[C@@]32C ZINC000001448259 462582930 /nfs/dbraw/zinc/58/29/30/462582930.db2.gz WYNMGGXDCFQKBH-IUHNQTRMSA-N 0 0 347.846 2.351 40 0 EEABRN Cn1nc(-c2ccccc2NC(=O)C(F)(F)F)c(=O)n(C)c1=S ZINC000001617155 462585483 /nfs/dbraw/zinc/58/54/83/462585483.db2.gz AWDXZEUFEXZYTQ-UHFFFAOYSA-N 0 0 344.318 2.016 40 0 EEABRN O=C(c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)N1CCOCC1 ZINC000001717721 462586403 /nfs/dbraw/zinc/58/64/03/462586403.db2.gz GULPUNJNDDLYGW-SFHVURJKSA-N 0 0 345.420 2.273 40 0 EEABRN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N(C)Cc1cnn(C)c1 ZINC000002781549 462602716 /nfs/dbraw/zinc/60/27/16/462602716.db2.gz CYUVIIUCSGKTSR-JTQLQIEISA-N 0 0 329.326 2.163 40 0 EEABRN C[C@@H](C(=O)NC(C)(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956747 462618749 /nfs/dbraw/zinc/61/87/49/462618749.db2.gz HMXYJUUQUPKZOY-VIFPVBQESA-N 0 0 334.388 2.034 40 0 EEABRN COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1 ZINC000004374607 462632122 /nfs/dbraw/zinc/63/21/22/462632122.db2.gz QEVSUEUHJWCJQT-UHFFFAOYSA-N 0 0 342.399 2.349 40 0 EEABRN CCOC(=O)N[C@H]1[C@@H](O)[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2O[C@@H]1OC ZINC000004531029 462634122 /nfs/dbraw/zinc/63/41/22/462634122.db2.gz OGNXEDDZAJYKJV-ZMSHIADSSA-N 0 0 349.427 2.417 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC000063528038 462651833 /nfs/dbraw/zinc/65/18/33/462651833.db2.gz DLHQQUYQOJMUQQ-UHFFFAOYSA-N 0 0 331.416 2.156 40 0 EEABRN CCOP(=O)(OCC)C(Cl)(Cl)[C@@H](O)N1CCCC1=O ZINC000005711311 462667074 /nfs/dbraw/zinc/66/70/74/462667074.db2.gz XLKCJGQPPFKOOG-SECBINFHSA-N 0 0 334.136 2.325 40 0 EEABRN CC(C)CCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000006325735 462683279 /nfs/dbraw/zinc/68/32/79/462683279.db2.gz HKGJOHWMPUHTJR-UHFFFAOYSA-N 0 0 332.853 2.268 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(OC)c2)c1 ZINC000046568342 462689756 /nfs/dbraw/zinc/68/97/56/462689756.db2.gz KKIXQEAKXMSRON-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN CCc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3sccc3n21 ZINC000006749402 462703529 /nfs/dbraw/zinc/70/35/29/462703529.db2.gz QPPCRMUSWKMKHB-UHFFFAOYSA-N 0 0 344.440 2.332 40 0 EEABRN Cc1c(F)cccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000006825160 462707829 /nfs/dbraw/zinc/70/78/29/462707829.db2.gz JVFDIQATCLVRMR-RISCZKNCSA-N 0 0 338.379 2.443 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000008169462 462770583 /nfs/dbraw/zinc/77/05/83/462770583.db2.gz HNMWNCUJFVWHKW-UHFFFAOYSA-N 0 0 340.351 2.370 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000008222065 462774188 /nfs/dbraw/zinc/77/41/88/462774188.db2.gz JTKGZGIWUPQWPP-UKRRQHHQSA-N 0 0 348.443 2.057 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC ZINC000008476001 462784160 /nfs/dbraw/zinc/78/41/60/462784160.db2.gz ZFRKUBNRCAITDG-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000008570081 462789712 /nfs/dbraw/zinc/78/97/12/462789712.db2.gz CXXIACJXEQBLGM-OAHLLOKOSA-N 0 0 338.363 2.361 40 0 EEABRN CCn1ccnc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c1=O ZINC000091011318 462818547 /nfs/dbraw/zinc/81/85/47/462818547.db2.gz NQSPGZZMWMDCMP-UHFFFAOYSA-N 0 0 345.447 2.192 40 0 EEABRN Cc1nn(CCC(=O)N[C@H](C)Cn2nnc3ccccc32)c(C)c1C ZINC000012141885 462844987 /nfs/dbraw/zinc/84/49/87/462844987.db2.gz FMIUGGLBCBIHPV-GFCCVEGCSA-N 0 0 340.431 2.148 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1cc(Cl)cs1 ZINC000076347998 462847262 /nfs/dbraw/zinc/84/72/62/462847262.db2.gz BJFQAVVDNFVNQK-NSHDSACASA-N 0 0 332.878 2.324 40 0 EEABRN Cc1ccc([C@@H](C)N2CCN(C(=O)COC[C@@H]3CCCO3)CC2)cc1 ZINC000013996211 462907970 /nfs/dbraw/zinc/90/79/70/462907970.db2.gz BNTMZUOFRLEBAI-MJGOQNOKSA-N 0 0 346.471 2.396 40 0 EEABRN C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000015419742 462951866 /nfs/dbraw/zinc/95/18/66/462951866.db2.gz FCMNGNHBCCYXCJ-CQSZACIVSA-N 0 0 336.457 2.343 40 0 EEABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)NCCc1ccccc1 ZINC000016543448 462981963 /nfs/dbraw/zinc/98/19/63/462981963.db2.gz ZYNIQIMMPZOASZ-UHFFFAOYSA-N 0 0 345.449 2.436 40 0 EEABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CSc1nc(N)cc(=O)[nH]1)C2 ZINC000018203668 463009898 /nfs/dbraw/zinc/00/98/98/463009898.db2.gz IUIQTJUIJMODHN-YNHOBRIKSA-N 0 0 337.445 2.202 40 0 EEABRN Fc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1 ZINC000019096724 463013904 /nfs/dbraw/zinc/01/39/04/463013904.db2.gz OPAXECWMCZMIOP-UHFFFAOYSA-N 0 0 333.392 2.070 40 0 EEABRN COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 ZINC000020154090 463026230 /nfs/dbraw/zinc/02/62/30/463026230.db2.gz PWSAMWQTKVBUGG-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN CCOC(=O)c1nn([C@H](C)CC)c(N)c1I ZINC000095094668 463066597 /nfs/dbraw/zinc/06/65/97/463066597.db2.gz SLUNGKFYHWBMGK-ZCFIWIBFSA-N 0 0 337.161 2.218 40 0 EEABRN C[C@H](NC(=O)C1CCC1)C(=O)NCCNc1nc2ccccc2s1 ZINC000095469670 463090309 /nfs/dbraw/zinc/09/03/09/463090309.db2.gz DVYRZDPXYVEXGT-NSHDSACASA-N 0 0 346.456 2.129 40 0 EEABRN CCN1CCn2c(C)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096037056 463142520 /nfs/dbraw/zinc/14/25/20/463142520.db2.gz CFFIQGYOTXGCNS-UHFFFAOYSA-N 0 0 331.489 2.475 40 0 EEABRN CCN1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037064 463142649 /nfs/dbraw/zinc/14/26/49/463142649.db2.gz FOMVURWIJWVGGG-UHFFFAOYSA-N 0 0 328.416 2.252 40 0 EEABRN O=C(COc1ccccc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042082 463146456 /nfs/dbraw/zinc/14/64/56/463146456.db2.gz CNUFVHNMDATZBK-JENIJYKNSA-N 0 0 331.412 2.250 40 0 EEABRN c1csc(CN2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096041364 463146472 /nfs/dbraw/zinc/14/64/72/463146472.db2.gz SQCHPZNHAHTBMU-ZOBUZTSGSA-N 0 0 331.441 2.487 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049111 463152525 /nfs/dbraw/zinc/15/25/25/463152525.db2.gz AYXWRBLSZPEFMI-SFHVURJKSA-N 0 0 330.384 2.380 40 0 EEABRN Cc1ccc(CN2CCO[C@]3(CCCN(c4nnc(C)o4)C3)C2)o1 ZINC000096049197 463153484 /nfs/dbraw/zinc/15/34/84/463153484.db2.gz PEOXCYBNVADRIS-QGZVFWFLSA-N 0 0 332.404 2.151 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096057044 463158049 /nfs/dbraw/zinc/15/80/49/463158049.db2.gz YMFXDJIEDBDFSV-MJGOQNOKSA-N 0 0 337.460 2.237 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1ccco1)C2 ZINC000096060722 463161923 /nfs/dbraw/zinc/16/19/23/463161923.db2.gz CXFIYIINDZGRFX-OAHLLOKOSA-N 0 0 339.399 2.119 40 0 EEABRN c1cncc(COCc2cncc3c2CCN([C@H]2CCOC2)C3)c1 ZINC000096067379 463164306 /nfs/dbraw/zinc/16/43/06/463164306.db2.gz WESLQHYSCGGVAQ-SFHVURJKSA-N 0 0 325.412 2.340 40 0 EEABRN COCCN1C(=O)CCC12CCC(NC(=O)c1ccc(C)nc1)CC2 ZINC000096075844 463169220 /nfs/dbraw/zinc/16/92/20/463169220.db2.gz GNAPMHLYXDAOJX-UHFFFAOYSA-N 0 0 345.443 2.070 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)CC1CC1)C2 ZINC000096075074 463169366 /nfs/dbraw/zinc/16/93/66/463169366.db2.gz LIEJCMXBONLZCA-LPHOPBHVSA-N 0 0 327.428 2.079 40 0 EEABRN CCOCC(=O)N1CCC2(CO[C@@H](COCc3ccccn3)C2)CC1 ZINC000096106186 463174033 /nfs/dbraw/zinc/17/40/33/463174033.db2.gz DVUXMZKKPFJXCN-QGZVFWFLSA-N 0 0 348.443 2.032 40 0 EEABRN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C)c2ccccc2C1 ZINC000068857942 463183014 /nfs/dbraw/zinc/18/30/14/463183014.db2.gz OEODGFSVWQKFGA-KRWDZBQOSA-N 0 0 329.444 2.256 40 0 EEABRN Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)on1 ZINC000079065081 463186097 /nfs/dbraw/zinc/18/60/97/463186097.db2.gz BYNDYPPLFLZXIO-HUUCEWRRSA-N 0 0 331.416 2.295 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159479 463190148 /nfs/dbraw/zinc/19/01/48/463190148.db2.gz PMZRCYPPPFOABD-IBGZPJMESA-N 0 0 339.395 2.248 40 0 EEABRN COc1c(C(=O)Nc2nc(C)cs2)nnn1Cc1ccccc1 ZINC000096183486 463195522 /nfs/dbraw/zinc/19/55/22/463195522.db2.gz JFOFCRXGLRHPDD-UHFFFAOYSA-N 0 0 329.385 2.352 40 0 EEABRN O=C(N[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@@H]21)c1cccnc1 ZINC000096186903 463199405 /nfs/dbraw/zinc/19/94/05/463199405.db2.gz KTVFDARULLSYCW-GVDBMIGSSA-N 0 0 343.452 2.305 40 0 EEABRN O=C(Cc1ccsc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096188579 463199777 /nfs/dbraw/zinc/19/97/77/463199777.db2.gz VQTKZEIJLZZPFO-HNNXBMFYSA-N 0 0 341.440 2.042 40 0 EEABRN CCCC(=O)N[C@@H]1CCc2c(ccc(=O)n2Cc2csc(C)n2)C1 ZINC000096196604 463202108 /nfs/dbraw/zinc/20/21/08/463202108.db2.gz KRWCWNWVWOVZBG-CQSZACIVSA-N 0 0 345.468 2.435 40 0 EEABRN CCOC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)c1cccc(C)c1 ZINC000096197741 463202681 /nfs/dbraw/zinc/20/26/81/463202681.db2.gz SARFRZIMKMMTFT-MRXNPFEDSA-N 0 0 349.456 2.053 40 0 EEABRN CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096199441 463204499 /nfs/dbraw/zinc/20/44/99/463204499.db2.gz BVVCTRBPDAZDRW-DLBZAZTESA-N 0 0 342.439 2.173 40 0 EEABRN Cn1cc(CN2CCN(Cc3ccncc3)c3ncccc3C2)cn1 ZINC000096198968 463204945 /nfs/dbraw/zinc/20/49/45/463204945.db2.gz JZCNAJOQQQUMAK-UHFFFAOYSA-N 0 0 334.427 2.233 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096205929 463208727 /nfs/dbraw/zinc/20/87/27/463208727.db2.gz BTZSXGZJYLXVJL-AEFFLSMTSA-N 0 0 331.416 2.300 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2cncn2C[C@@H](COCC2CCC2)C1 ZINC000096216116 463213835 /nfs/dbraw/zinc/21/38/35/463213835.db2.gz TWBYPYSQSVOXIG-HNNXBMFYSA-N 0 0 344.415 2.268 40 0 EEABRN CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208416 463219456 /nfs/dbraw/zinc/21/94/56/463219456.db2.gz NXPPGIVNLSNXFC-ZDUSSCGKSA-N 0 0 326.462 2.174 40 0 EEABRN O=C(CC1CC1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239757 463224263 /nfs/dbraw/zinc/22/42/63/463224263.db2.gz ZJTMWMFODNWBCX-INIZCTEOSA-N 0 0 336.386 2.341 40 0 EEABRN O=C(c1nc2c(s1)CCCN2C(=O)c1cccnc1)N1CCCC1 ZINC000096264709 463230950 /nfs/dbraw/zinc/23/09/50/463230950.db2.gz AKJWAEMMFODMAB-UHFFFAOYSA-N 0 0 342.424 2.367 40 0 EEABRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nncn1C ZINC000096403519 463238360 /nfs/dbraw/zinc/23/83/60/463238360.db2.gz QKXQJBCGILNCJB-MRVPVSSYSA-N 0 0 329.187 2.206 40 0 EEABRN CC(C)(C(=O)N1CCC(N2CCNC2=O)CC1)c1ccc(F)cc1 ZINC000096403904 463238613 /nfs/dbraw/zinc/23/86/13/463238613.db2.gz BBDVWUFOSPWQFK-UHFFFAOYSA-N 0 0 333.407 2.120 40 0 EEABRN O=C(/C=C/c1csc(Br)c1)N1CCCS1(=O)=O ZINC000096408016 463241368 /nfs/dbraw/zinc/24/13/68/463241368.db2.gz HQDLGHABJRDFPO-NSCUHMNNSA-N 0 0 336.232 2.086 40 0 EEABRN CC[C@@H](NC(=O)NCC[S@](C)=O)c1ccccc1OC(F)F ZINC000096408763 463241348 /nfs/dbraw/zinc/24/13/48/463241348.db2.gz CEOJTSVJBSRVSV-RKFFSXRUSA-N 0 0 334.388 2.417 40 0 EEABRN CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)C1CCCCC1 ZINC000096412056 463244658 /nfs/dbraw/zinc/24/46/58/463244658.db2.gz OLRXTEKDZNZROG-HZPDHXFCSA-N 0 0 333.432 2.248 40 0 EEABRN CC(C)Oc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414089 463247426 /nfs/dbraw/zinc/24/74/26/463247426.db2.gz LBNNOZWBLUKIIE-LLVKDONJSA-N 0 0 344.333 2.367 40 0 EEABRN CC[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1cnn(CC)c1 ZINC000096415630 463247934 /nfs/dbraw/zinc/24/79/34/463247934.db2.gz NOCGGYHIHPIHSP-MRXNPFEDSA-N 0 0 342.447 2.177 40 0 EEABRN CC[C@@H](NC(=O)NCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000096415190 463247941 /nfs/dbraw/zinc/24/79/41/463247941.db2.gz HSNSXTYYQJMYCF-CQSZACIVSA-N 0 0 327.375 2.487 40 0 EEABRN CC[C@H](NC(=O)NCCS(=O)(=O)CC)c1ccc(F)cc1F ZINC000096415458 463248539 /nfs/dbraw/zinc/24/85/39/463248539.db2.gz RBHFDENQMKKBSW-ZDUSSCGKSA-N 0 0 334.388 2.150 40 0 EEABRN CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F ZINC000096419084 463250646 /nfs/dbraw/zinc/25/06/46/463250646.db2.gz SIZZJYZXTVQQJE-QMTHXVAHSA-N 0 0 331.384 2.357 40 0 EEABRN CCO[C@H]1C[C@@H](N(C)c2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096419513 463250663 /nfs/dbraw/zinc/25/06/63/463250663.db2.gz HUHLZKUYCCKSLW-CABCVRRESA-N 0 0 345.447 2.445 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)c1cncc(Br)c1 ZINC000096418871 463250697 /nfs/dbraw/zinc/25/06/97/463250697.db2.gz UFBLTPQLELXHTQ-NSHDSACASA-N 0 0 343.221 2.017 40 0 EEABRN Cc1ccc(OC(=O)CCn2cc(Br)ccc2=O)cn1 ZINC000096422143 463252482 /nfs/dbraw/zinc/25/24/82/463252482.db2.gz QNVSOUGBNCSSEA-UHFFFAOYSA-N 0 0 337.173 2.310 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000096423110 463253555 /nfs/dbraw/zinc/25/35/55/463253555.db2.gz JTSFQWYHEMXPDY-VXGBXAGGSA-N 0 0 332.297 2.066 40 0 EEABRN Cc1cnn(CCC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)c1 ZINC000096425898 463254982 /nfs/dbraw/zinc/25/49/82/463254982.db2.gz SCUAIYQJOARNSH-KRWDZBQOSA-N 0 0 340.427 2.202 40 0 EEABRN Cc1noc(-c2cccnc2N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000096427285 463256761 /nfs/dbraw/zinc/25/67/61/463256761.db2.gz WLCMCVWWOGMRFE-UHFFFAOYSA-N 0 0 349.394 2.402 40 0 EEABRN COC(CN1CCO[C@@H](c2cccc(Br)c2)C1)OC ZINC000136752503 463257307 /nfs/dbraw/zinc/25/73/07/463257307.db2.gz SUUMPJASDHKLEZ-CYBMUJFWSA-N 0 0 330.222 2.441 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCCO2)cc1 ZINC000096430725 463260059 /nfs/dbraw/zinc/26/00/59/463260059.db2.gz IXUGUJYSRLVIFI-SJORKVTESA-N 0 0 330.428 2.171 40 0 EEABRN C[C@H](CC(=O)NCCS(C)(=O)=O)c1ccccc1Br ZINC000096430626 463260519 /nfs/dbraw/zinc/26/05/19/463260519.db2.gz HDFUDGNDYVDKHS-SNVBAGLBSA-N 0 0 348.262 2.104 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N[C@H](C)c1nnc2ccccn21 ZINC000096437659 463265837 /nfs/dbraw/zinc/26/58/37/463265837.db2.gz IDWVIRDRPWVGCO-CYBMUJFWSA-N 0 0 341.419 2.142 40 0 EEABRN C[S@](=O)CCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000096440348 463266813 /nfs/dbraw/zinc/26/68/13/463266813.db2.gz DKYDBZDNDJEURH-YEJXKQKISA-N 0 0 326.487 2.189 40 0 EEABRN CC[C@@H](NC(=O)CS(=O)(=O)CC)c1nc(C(F)(F)F)cs1 ZINC000096443905 463269330 /nfs/dbraw/zinc/26/93/30/463269330.db2.gz JCJIRTHNHMKKKE-SSDOTTSWSA-N 0 0 344.380 2.164 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)OC[C@@H]1CCC(=O)N1 ZINC000096443992 463269587 /nfs/dbraw/zinc/26/95/87/463269587.db2.gz WCHVJKOTHLXOGP-JTQLQIEISA-N 0 0 329.194 2.267 40 0 EEABRN O=C(CNC(=O)[C@H]1CCCOC1)N1CCC(Cc2ccccc2)CC1 ZINC000096445598 463270841 /nfs/dbraw/zinc/27/08/41/463270841.db2.gz DDTCMWKEMYBTBI-SFHVURJKSA-N 0 0 344.455 2.011 40 0 EEABRN CC[C@H](SC)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096485689 463283649 /nfs/dbraw/zinc/28/36/49/463283649.db2.gz QHXBYGQZXSAQTB-HNNXBMFYSA-N 0 0 332.473 2.349 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000096495102 463288891 /nfs/dbraw/zinc/28/88/91/463288891.db2.gz HVRRACNTVDEHNG-CQSZACIVSA-N 0 0 342.443 2.012 40 0 EEABRN CCc1ccc(C(C)(C)CNS(=O)(=O)C[C@H]2CCOC2)cc1 ZINC000080283723 463305381 /nfs/dbraw/zinc/30/53/81/463305381.db2.gz LAQXHXHCGZFOIO-HNNXBMFYSA-N 0 0 325.474 2.483 40 0 EEABRN CCc1ccccc1N1C[C@H](C(=O)N=c2sccn2C)CC1=O ZINC000030991067 463320603 /nfs/dbraw/zinc/32/06/03/463320603.db2.gz CLXZUHFZMCIGDH-OYLHUBKDSA-N 0 0 329.425 2.129 40 0 EEABRN O=C(N[C@H]1CCCN(CC2OCCO2)C1)c1ccc2ccccc2c1 ZINC000097232026 463351745 /nfs/dbraw/zinc/35/17/45/463351745.db2.gz AAHSAVGISNGRNI-SFHVURJKSA-N 0 0 340.423 2.407 40 0 EEABRN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(O)c1 ZINC000097236731 463352867 /nfs/dbraw/zinc/35/28/67/463352867.db2.gz YTJHQJNENJHTDZ-INIZCTEOSA-N 0 0 338.407 2.213 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000081701885 463481214 /nfs/dbraw/zinc/48/12/14/463481214.db2.gz GJBOKPLDPOCCBM-ROUUACIJSA-N 0 0 337.354 2.400 40 0 EEABRN Cc1ccc([C@H]2COCCN2C(=O)Nc2c(C)ccn(C)c2=O)o1 ZINC000162098580 463483344 /nfs/dbraw/zinc/48/33/44/463483344.db2.gz UTVIEYKAVGOXIL-CYBMUJFWSA-N 0 0 331.372 2.201 40 0 EEABRN O=C1Oc2nc3cc4c(cc3cc2CN1C[C@@H]1CCCO1)OCO4 ZINC000072396353 463510012 /nfs/dbraw/zinc/51/00/12/463510012.db2.gz OIEWOIBOCODLAB-LBPRGKRZSA-N 0 0 328.324 2.457 40 0 EEABRN CN(C(=O)CNc1ccccc1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000057854248 463524855 /nfs/dbraw/zinc/52/48/55/463524855.db2.gz NPEMHZKZHUHZNK-CYBMUJFWSA-N 0 0 338.473 2.042 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cs1 ZINC000107786156 463582906 /nfs/dbraw/zinc/58/29/06/463582906.db2.gz DPAQIXHOIHDGST-CJNGLKHVSA-N 0 0 349.435 2.226 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@H]2CCN(Cc3cccnc3)C[C@@H]21 ZINC000108536084 463611600 /nfs/dbraw/zinc/61/16/00/463611600.db2.gz NMVIDMSZMMIBBZ-IRXDYDNUSA-N 0 0 343.452 2.259 40 0 EEABRN Cc1nnc(CN(C)CC(=O)N2CCCCC[C@H]2CC(C)C)n1C ZINC000073922603 463670768 /nfs/dbraw/zinc/67/07/68/463670768.db2.gz LWLQTDLGNYZIAA-INIZCTEOSA-N 0 0 335.496 2.373 40 0 EEABRN C[C@@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@@H](C)O1 ZINC000044871492 463696990 /nfs/dbraw/zinc/69/69/90/463696990.db2.gz OHQJSBIAIICKMO-CHWSQXEVSA-N 0 0 333.457 2.064 40 0 EEABRN CC(C)COc1ccc([C@H](C)NC(=O)N2CCO[C@H](CO)C2)cc1 ZINC000268365613 463718317 /nfs/dbraw/zinc/71/83/17/463718317.db2.gz VDGCROHFNOWMDL-YOEHRIQHSA-N 0 0 336.432 2.185 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2nccnc2C(=O)NCC(C)(C)C)C1 ZINC000257228990 463757661 /nfs/dbraw/zinc/75/76/61/463757661.db2.gz FWCVCCUNAYSLFG-AWEZNQCLSA-N 0 0 332.448 2.054 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257284090 463761004 /nfs/dbraw/zinc/76/10/04/463761004.db2.gz PBEUSTLWIIODNT-CYBMUJFWSA-N 0 0 330.388 2.297 40 0 EEABRN Cc1ocnc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257287807 463763099 /nfs/dbraw/zinc/76/30/99/463763099.db2.gz PRORPKRXKSZKRK-RHSMWYFYSA-N 0 0 334.347 2.167 40 0 EEABRN CCn1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)cn1 ZINC000257288082 463763623 /nfs/dbraw/zinc/76/36/23/463763623.db2.gz PSSROYRPAABFSO-RDJZCZTQSA-N 0 0 347.390 2.087 40 0 EEABRN CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(=O)[O-])cc2)n1 ZINC000257291005 463764175 /nfs/dbraw/zinc/76/41/75/463764175.db2.gz QFELSIHQXFAKKK-MRXNPFEDSA-N 0 0 342.399 2.319 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257289324 463764511 /nfs/dbraw/zinc/76/45/11/463764511.db2.gz PYDJSPNTRHFBEI-KRWDZBQOSA-N 0 0 341.411 2.462 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CCC[C@H](Cc2nccnc2N)C1 ZINC000257292494 463765110 /nfs/dbraw/zinc/76/51/10/463765110.db2.gz QLSRLTBZCNDGHI-CQSZACIVSA-N 0 0 346.456 2.011 40 0 EEABRN Cc1cnc(-c2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1 ZINC000257309477 463771489 /nfs/dbraw/zinc/77/14/89/463771489.db2.gz UBBPYPIWZBXPNY-ZDUSSCGKSA-N 0 0 338.458 2.313 40 0 EEABRN C[C@]1(O)CN(C(=O)COc2ccccc2)CC[C@@H]1Oc1ccccc1 ZINC000257324932 463778203 /nfs/dbraw/zinc/77/82/03/463778203.db2.gz WQURTHBFRWBXSV-ICSRJNTNSA-N 0 0 341.407 2.496 40 0 EEABRN Nc1cccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 ZINC000257332434 463781106 /nfs/dbraw/zinc/78/11/06/463781106.db2.gz XXIFCIASTUIEMI-CYBMUJFWSA-N 0 0 325.359 2.389 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1 ZINC000257337671 463784220 /nfs/dbraw/zinc/78/42/20/463784220.db2.gz YTVPGLLHOQOWCY-NSHDSACASA-N 0 0 340.305 2.482 40 0 EEABRN Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000257342120 463786353 /nfs/dbraw/zinc/78/63/53/463786353.db2.gz ZNDWHUHUCAXMOJ-HNNXBMFYSA-N 0 0 348.410 2.292 40 0 EEABRN Cn1ncc2c1nccc2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000283727483 463986831 /nfs/dbraw/zinc/98/68/31/463986831.db2.gz HFKNGGXYTRAAKW-SNVBAGLBSA-N 0 0 334.326 2.098 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000278863307 464003006 /nfs/dbraw/zinc/00/30/06/464003006.db2.gz MEFGWMIVBYJODN-GFCCVEGCSA-N 0 0 333.335 2.310 40 0 EEABRN CCOC1CC(CNC(=O)C2CCCCCC2)(N2CCOCC2)C1 ZINC000195199910 464015979 /nfs/dbraw/zinc/01/59/79/464015979.db2.gz HWNCMWPSOOCPBP-UHFFFAOYSA-N 0 0 338.492 2.343 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1C ZINC000195547532 464074450 /nfs/dbraw/zinc/07/44/50/464074450.db2.gz MIKMLYABBWCJNZ-LBPRGKRZSA-N 0 0 329.375 2.296 40 0 EEABRN Cc1nc2ccccn2c1Cn1ccc(C(=O)OC(C)C)cc1=O ZINC000195562724 464077084 /nfs/dbraw/zinc/07/70/84/464077084.db2.gz ZWESEWBHNUCAAN-UHFFFAOYSA-N 0 0 325.368 2.418 40 0 EEABRN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCOCC12CCC2 ZINC000195566756 464078640 /nfs/dbraw/zinc/07/86/40/464078640.db2.gz BCXBAULNBCOXID-UHFFFAOYSA-N 0 0 338.407 2.351 40 0 EEABRN COC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O ZINC000205694871 464097562 /nfs/dbraw/zinc/09/75/62/464097562.db2.gz KFGVGVHQVGMSNP-BJMVGYQFSA-N 0 0 327.745 2.255 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000222621610 464131532 /nfs/dbraw/zinc/13/15/32/464131532.db2.gz BPZBXSZRUDSDPT-QGZVFWFLSA-N 0 0 346.452 2.244 40 0 EEABRN CSc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(C)C ZINC000222846261 464134782 /nfs/dbraw/zinc/13/47/82/464134782.db2.gz SWOIOQUBAIMHCL-UHFFFAOYSA-N 0 0 328.459 2.444 40 0 EEABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCO)c1ccccc1 ZINC000223338021 464140948 /nfs/dbraw/zinc/14/09/48/464140948.db2.gz CHBHIJQKNHWNRR-LJQANCHMSA-N 0 0 340.423 2.275 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)n1C ZINC000223610558 464144908 /nfs/dbraw/zinc/14/49/08/464144908.db2.gz RHJMWAZRZNLNII-HZPDHXFCSA-N 0 0 330.457 2.083 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCCC2)n1 ZINC000224199055 464149513 /nfs/dbraw/zinc/14/95/13/464149513.db2.gz DMHADICSBIJGMB-CQSZACIVSA-N 0 0 326.400 2.161 40 0 EEABRN Cc1cc(C)cc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1 ZINC000224220401 464149731 /nfs/dbraw/zinc/14/97/31/464149731.db2.gz KMRVHCLWYKTCEY-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CCN(Cc1cccc2c1OCCO2)C(=O)CCc1ccnn1C ZINC000225395073 464156850 /nfs/dbraw/zinc/15/68/50/464156850.db2.gz HCKDQZMEXWBOIR-UHFFFAOYSA-N 0 0 329.400 2.173 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O)cc1C ZINC000225457276 464161207 /nfs/dbraw/zinc/16/12/07/464161207.db2.gz ABRUIDDLLZQZCB-WFASDCNBSA-N 0 0 344.333 2.384 40 0 EEABRN CCS(=O)(=O)c1ccc(N(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000225517137 464167747 /nfs/dbraw/zinc/16/77/47/464167747.db2.gz GRSLQYRVCDYMEG-UHFFFAOYSA-N 0 0 346.452 2.476 40 0 EEABRN C[C@@H]1CN(C(=O)C[S@](=O)Cc2ccccc2Cl)C[C@H](C)O1 ZINC000225621656 464177113 /nfs/dbraw/zinc/17/71/13/464177113.db2.gz IJWNQZMVHSEPEG-SMDDFHAHSA-N 0 0 329.849 2.225 40 0 EEABRN CN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(C(N)=O)c1 ZINC000226279345 464183678 /nfs/dbraw/zinc/18/36/78/464183678.db2.gz HHBCTAGMLSVAIW-UHFFFAOYSA-N 0 0 329.322 2.301 40 0 EEABRN Fc1ccc([C@H](NC[C@@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376332 464266288 /nfs/dbraw/zinc/26/62/88/464266288.db2.gz ANDUSRWMLULYOX-CVEARBPZSA-N 0 0 347.390 2.150 40 0 EEABRN C[C@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCc2ccccc21 ZINC000188377332 464266403 /nfs/dbraw/zinc/26/64/03/464266403.db2.gz MXUNIFIZUAGFHK-DNVCBOLYSA-N 0 0 339.439 2.376 40 0 EEABRN CCc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(O)c1 ZINC000188478978 464291239 /nfs/dbraw/zinc/29/12/39/464291239.db2.gz PXCIQWJEYHGLIW-KRWDZBQOSA-N 0 0 343.427 2.274 40 0 EEABRN CC1=CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 ZINC000241409059 464452238 /nfs/dbraw/zinc/45/22/38/464452238.db2.gz NEGKPXNPVKTFRD-UHFFFAOYSA-N 0 0 346.452 2.253 40 0 EEABRN COC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000242575024 464457694 /nfs/dbraw/zinc/45/76/94/464457694.db2.gz NPBZAWBPJPJCOK-ZACQAIPSSA-N 0 0 335.400 2.109 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(C)cc1 ZINC000242718279 464458440 /nfs/dbraw/zinc/45/84/40/464458440.db2.gz XHUMFLLNFWAUSZ-FMKPAKJESA-N 0 0 341.498 2.205 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000245020876 464467198 /nfs/dbraw/zinc/46/71/98/464467198.db2.gz MLFXVVMZAGHLGP-CQSZACIVSA-N 0 0 342.351 2.273 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCS[C@@H](C)[C@H]1C)c1nnc2n1CCC2 ZINC000245339001 464471295 /nfs/dbraw/zinc/47/12/95/464471295.db2.gz PWZGALJDHOWNCK-DYEKYZERSA-N 0 0 337.493 2.457 40 0 EEABRN COc1ccccc1N1CC[C@@H](CNC(=O)c2ncncc2Cl)C1 ZINC000175187805 464501733 /nfs/dbraw/zinc/50/17/33/464501733.db2.gz OHNFGULXNDGVPX-LBPRGKRZSA-N 0 0 346.818 2.395 40 0 EEABRN CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1cn2ccccc2n1 ZINC000189930559 464564990 /nfs/dbraw/zinc/56/49/90/464564990.db2.gz VPSFPMDSZATHKE-LJQANCHMSA-N 0 0 344.459 2.459 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F ZINC000247887481 464711652 /nfs/dbraw/zinc/71/16/52/464711652.db2.gz XPEWTKQUIGBTLJ-CYBMUJFWSA-N 0 0 346.358 2.053 40 0 EEABRN Cc1cc(NC(=O)N[C@@]2(CO)CCOC2)cnc1N1CCCC[C@H]1C ZINC000273479671 464717901 /nfs/dbraw/zinc/71/79/01/464717901.db2.gz LBNMQCCUABRIOW-RDTXWAMCSA-N 0 0 348.447 2.042 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NC1CC1)CN(Cc1cccc3[nH]ccc31)C2 ZINC000248007323 464722281 /nfs/dbraw/zinc/72/22/81/464722281.db2.gz CPCOSIVWWHIDSI-INIZCTEOSA-N 0 0 349.438 2.279 40 0 EEABRN CC(C)CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1=O ZINC000248028881 464724413 /nfs/dbraw/zinc/72/44/13/464724413.db2.gz NIURHWQOQNXQCW-ROUUACIJSA-N 0 0 343.471 2.006 40 0 EEABRN Cn1ccc(C(=O)N2CC3(C2)C[C@H](OCC2CCCC2)CCO3)n1 ZINC000248097282 464729928 /nfs/dbraw/zinc/72/99/28/464729928.db2.gz DDQJTHBYBJJBOV-OAHLLOKOSA-N 0 0 333.432 2.001 40 0 EEABRN Cc1cnc2c(c1)N(C(=O)CC1CCC3(CC1)OCCO3)CCO2 ZINC000191214836 464799310 /nfs/dbraw/zinc/79/93/10/464799310.db2.gz AEFXHXLLGMOKMW-UHFFFAOYSA-N 0 0 332.400 2.439 40 0 EEABRN CCCC(=O)N[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248839540 464808741 /nfs/dbraw/zinc/80/87/41/464808741.db2.gz KVHFDBRMBOHHAD-RDJZCZTQSA-N 0 0 329.444 2.321 40 0 EEABRN C[C@H](CNC(=O)NC[C@@H]1CC[C@H](O)C1)c1nc(-c2ccccc2)no1 ZINC000191307517 464811057 /nfs/dbraw/zinc/81/10/57/464811057.db2.gz VCDUMLFYIAHAMI-NFAWXSAZSA-N 0 0 344.415 2.300 40 0 EEABRN C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000249253054 464854730 /nfs/dbraw/zinc/85/47/30/464854730.db2.gz GSKFTTSGGYJVKD-KBMXLJTQSA-N 0 0 336.457 2.009 40 0 EEABRN COc1cc(NC(=O)NCCC2(O)CCC2)c(OC)c(C)c1OC ZINC000252483440 464961730 /nfs/dbraw/zinc/96/17/30/464961730.db2.gz FBPRAXCGRUXYFC-UHFFFAOYSA-N 0 0 338.404 2.447 40 0 EEABRN CCOC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000253381014 464995863 /nfs/dbraw/zinc/99/58/63/464995863.db2.gz CIFKKNCIXOGFHB-NOLJZWGESA-N 0 0 333.384 2.071 40 0 EEABRN COC(=O)CC1(CNC(=O)[C@H]2CCCc3nn(C)cc32)CCCCC1 ZINC000253395358 464999472 /nfs/dbraw/zinc/99/94/72/464999472.db2.gz JSAXONNUGJJVHP-AWEZNQCLSA-N 0 0 347.459 2.470 40 0 EEABRN Cc1c([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(N)=O)cnn1C ZINC000253397864 465002158 /nfs/dbraw/zinc/00/21/58/465002158.db2.gz DOLOCZVNOGSDTQ-JQWIXIFHSA-N 0 0 346.456 2.185 40 0 EEABRN CN(C)c1cccc(CCC(=O)N2CCNC(=O)c3ccccc32)c1 ZINC000253416407 465004531 /nfs/dbraw/zinc/00/45/31/465004531.db2.gz ALPMQENTOXFUFX-UHFFFAOYSA-N 0 0 337.423 2.462 40 0 EEABRN Cc1c(NCC(=O)N2CCOCC2)cnn1-c1cccc(Cl)c1 ZINC000253417712 465006420 /nfs/dbraw/zinc/00/64/20/465006420.db2.gz GYPLVERQJZSGGO-UHFFFAOYSA-N 0 0 334.807 2.105 40 0 EEABRN COC(=O)c1cn([C@H]2CCN(Cc3cnc(C(C)(C)C)s3)C2)nn1 ZINC000253419108 465006962 /nfs/dbraw/zinc/00/69/62/465006962.db2.gz IJFQWKVMOAGHEH-NSHDSACASA-N 0 0 349.460 2.266 40 0 EEABRN CC[C@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21 ZINC000299817302 465887699 /nfs/dbraw/zinc/88/76/99/465887699.db2.gz SNFDFYWXKBFWTO-WFASDCNBSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CC(C)n1cc(CN2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cn1 ZINC000306130288 466488875 /nfs/dbraw/zinc/48/88/75/466488875.db2.gz JBKMDCKEKLJRLW-INIZCTEOSA-N 0 0 343.431 2.066 40 0 EEABRN COCCCNC(=O)[C@H]1CCc2[nH]nc(-c3ccc(OC)cc3)c2C1 ZINC000306131048 466489500 /nfs/dbraw/zinc/48/95/00/466489500.db2.gz JVHYUWMYJTUDTQ-AWEZNQCLSA-N 0 0 343.427 2.343 40 0 EEABRN CNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409062818 466686037 /nfs/dbraw/zinc/68/60/37/466686037.db2.gz BHOIFTDKTFGOCW-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN O=C([C@H]1CC=CCC1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390830566 467413031 /nfs/dbraw/zinc/41/30/31/467413031.db2.gz LWVVVFWAVUWCJX-LBPRGKRZSA-N 0 0 344.440 2.373 40 0 EEABRN COC(=O)c1ccc(NC(=O)Nc2cc(C)[nH]n2)c(OC(F)F)c1 ZINC000390835747 467414869 /nfs/dbraw/zinc/41/48/69/467414869.db2.gz WYMGXDMCJMIAJV-UHFFFAOYSA-N 0 0 340.286 2.750 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](Oc1cncc(C)n1)CCO2 ZINC000575403252 468140888 /nfs/dbraw/zinc/14/08/88/468140888.db2.gz GYTJWGPMCRIWMV-AWEZNQCLSA-N 0 0 343.383 2.139 40 0 EEABRN COC[C@H]1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1 ZINC000585096685 468964507 /nfs/dbraw/zinc/96/45/07/468964507.db2.gz AFXHZNCVBJEPMV-OAHLLOKOSA-N 0 0 349.818 2.363 40 0 EEABRN Cc1cc(-c2cnc3cncn3c2)ccc1OCCN1CCOCC1 ZINC000585099622 468969292 /nfs/dbraw/zinc/96/92/92/468969292.db2.gz YZNSEUAQVPTXQS-UHFFFAOYSA-N 0 0 338.411 2.416 40 0 EEABRN C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000585139585 468988908 /nfs/dbraw/zinc/98/89/08/468988908.db2.gz PDCMBQHTOLMWHT-STRFDMGBSA-N 0 0 342.848 2.023 40 0 EEABRN Cc1ccc(/C=C\C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)o1 ZINC000585139918 468989237 /nfs/dbraw/zinc/98/92/37/468989237.db2.gz SZXQEWJORWRQAO-UMZRIGFJSA-N 0 0 325.430 2.415 40 0 EEABRN CCOC(=O)c1cnc(N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)nc1C ZINC000585141713 468991418 /nfs/dbraw/zinc/99/14/18/468991418.db2.gz FKZWEUAAYSNYTE-DZGCQCFKSA-N 0 0 345.403 2.027 40 0 EEABRN O=C(c1ccccc1F)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585269547 468997103 /nfs/dbraw/zinc/99/71/03/468997103.db2.gz YOWDRTVUMSDSLS-IBGZPJMESA-N 0 0 329.371 2.272 40 0 EEABRN Cc1ccc(OC[C@]2(O)COCCN(Cc3ccncc3)C2)cc1 ZINC000585269230 468997121 /nfs/dbraw/zinc/99/71/21/468997121.db2.gz MCZZVVXVTHEIOO-LJQANCHMSA-N 0 0 328.412 2.032 40 0 EEABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2cccnc2N)cc1 ZINC000585279173 469004182 /nfs/dbraw/zinc/00/41/82/469004182.db2.gz WPVHWKRTIDTIHX-IRXDYDNUSA-N 0 0 325.412 2.180 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cnc(C)cn3)[C@H]2O)cc1 ZINC000585286251 469010254 /nfs/dbraw/zinc/01/02/54/469010254.db2.gz VWTZFKYFHDPPQJ-ZTFGCOKTSA-N 0 0 341.411 2.042 40 0 EEABRN COc1ccnc(N2CCN(c3nc(C)c4ccccc4n3)CC2)n1 ZINC000641306203 470303958 /nfs/dbraw/zinc/30/39/58/470303958.db2.gz WXTDMINECPSNEM-UHFFFAOYSA-N 0 0 336.399 2.063 40 0 EEABRN COc1ccccc1CN(C1CC1)S(=O)(=O)C[C@H]1CCOC1 ZINC000171959496 534062905 /nfs/dbraw/zinc/06/29/05/534062905.db2.gz ZWUXNLFNBXTINY-ZDUSSCGKSA-N 0 0 325.430 2.026 40 0 EEABRN C[C@@H]1CC[C@@H](Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C1 ZINC000188095724 534192616 /nfs/dbraw/zinc/19/26/16/534192616.db2.gz YFGAUQQTAAEJRA-UKRRQHHQSA-N 0 0 338.473 2.433 40 0 EEABRN CCNC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000245171779 521742434 /nfs/dbraw/zinc/74/24/34/521742434.db2.gz XUTYRLHRPFPUCW-UHFFFAOYSA-N 0 0 331.342 2.092 40 0 EEABRN CC(C)(C)C1CCC(NC(=O)C(=O)NCCc2ccccn2)CC1 ZINC000408710011 527631598 /nfs/dbraw/zinc/63/15/98/527631598.db2.gz LFWLQQANTQOCIA-UHFFFAOYSA-N 0 0 331.460 2.461 40 0 EEABRN CCCOc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000132531603 528670835 /nfs/dbraw/zinc/67/08/35/528670835.db2.gz HUIMMXNOUJGIFO-IRXDYDNUSA-N 0 0 345.443 2.428 40 0 EEABRN CCOC(=O)Cn1nc(C(F)F)c(I)c1C ZINC000408717819 528932913 /nfs/dbraw/zinc/93/29/13/528932913.db2.gz VUUVOSFLXHFQFD-UHFFFAOYSA-N 0 0 344.099 2.297 40 0 EEABRN CC(C)[C@H](CNC(=O)Nc1nccn(C)c1=O)Cc1ccccc1 ZINC000191614269 529008271 /nfs/dbraw/zinc/00/82/71/529008271.db2.gz DSMITDRIFLMDGZ-HNNXBMFYSA-N 0 0 328.416 2.417 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)c1C ZINC000257343594 535622462 /nfs/dbraw/zinc/62/24/62/535622462.db2.gz ZTPPUIMNVBXUIA-OAHLLOKOSA-N 0 0 345.447 2.166 40 0 EEABRN CCn1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)cn1 ZINC000257266424 536025417 /nfs/dbraw/zinc/02/54/17/536025417.db2.gz MCYUXLWBWGHEDO-CQSZACIVSA-N 0 0 340.387 2.019 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@H]3CCNc2ccccn2)cn1 ZINC000249681047 536051505 /nfs/dbraw/zinc/05/15/05/536051505.db2.gz BDFRKFQWLLSXHC-QGZVFWFLSA-N 0 0 341.459 2.391 40 0 EEABRN CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 ZINC000257243168 536093049 /nfs/dbraw/zinc/09/30/49/536093049.db2.gz IFRYTXHDQQNGNR-MRXNPFEDSA-N 0 0 338.473 2.222 40 0 EEABRN COc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257317486 536614344 /nfs/dbraw/zinc/61/43/44/536614344.db2.gz VJXVOCYGTDEHKM-NVXWUHKLSA-N 0 0 331.343 2.099 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)c1 ZINC000257253612 537136479 /nfs/dbraw/zinc/13/64/79/537136479.db2.gz JZPFXFZTKGXHII-ZDUSSCGKSA-N 0 0 335.429 2.062 40 0 EEABRN CCc1c(C)nc2ncnn2c1N1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000894786736 683094304 /nfs/dbraw/zinc/09/43/04/683094304.db2.gz TUFHPDVBDCNELC-AWEZNQCLSA-N 0 0 338.415 2.356 40 0 EEABRN CCOC(=O)[C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1 ZINC000226081576 1193501173 /nfs/dbraw/zinc/50/11/73/1193501173.db2.gz ARLCDBFIGGYEOK-INIZCTEOSA-N 0 0 325.368 2.318 40 0 EEABRN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)cc1F ZINC000007251514 1351931854 /nfs/dbraw/zinc/93/18/54/1351931854.db2.gz JXUMWQFZMZVNOV-UHFFFAOYSA-N 0 0 347.737 2.472 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)n2nnc3ccccc32)c(C)cc1C ZINC000027824740 1351695585 /nfs/dbraw/zinc/69/55/85/1351695585.db2.gz BNQOLZOLRSZOCY-UHFFFAOYSA-N 0 0 344.396 2.244 40 0 EEABRN CCCCOC(=O)CNCCCCCNCC(=O)OCCCC ZINC000004722490 210260081 /nfs/dbraw/zinc/26/00/81/210260081.db2.gz MAAJGQAVUCXTLW-UHFFFAOYSA-N 0 0 330.469 2.023 40 0 EEABRN O=C(N[C@@H](c1nccs1)C1CC1)C1CCN(c2cnccn2)CC1 ZINC000173704494 231010076 /nfs/dbraw/zinc/01/00/76/231010076.db2.gz FUGKBEXHDRQWQJ-OAHLLOKOSA-N 0 0 343.456 2.417 40 0 EEABRN O=C(c1cscn1)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953503 219063985 /nfs/dbraw/zinc/06/39/85/219063985.db2.gz YJFCNCAJKAMDNW-ZENOOKHLSA-N 0 0 344.440 2.270 40 0 EEABRN COc1ccccc1CNC(=O)NC[C@H]1COc2ccccc2O1 ZINC000058467247 214590642 /nfs/dbraw/zinc/59/06/42/214590642.db2.gz YRUMOFYWKSPSOM-AWEZNQCLSA-N 0 0 328.368 2.334 40 0 EEABRN Cc1noc(C2CN(CC(=O)Nc3ccccc3C(F)(F)F)C2)n1 ZINC000049482592 214011470 /nfs/dbraw/zinc/01/14/70/214011470.db2.gz NZOCYVJZVKIKLH-UHFFFAOYSA-N 0 0 340.305 2.435 40 0 EEABRN C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCc1cccs1 ZINC000100217040 219094152 /nfs/dbraw/zinc/09/41/52/219094152.db2.gz GZKTYINZUADBEI-SUNYJGFJSA-N 0 0 340.404 2.452 40 0 EEABRN CC(C)(C)OC(=O)N(CC(=O)O[C@@H]1CC(=O)NC1=O)c1ccccc1 ZINC000064219704 214779851 /nfs/dbraw/zinc/77/98/51/214779851.db2.gz YNARWAIBZUFFLE-GFCCVEGCSA-N 0 0 348.355 2.227 40 0 EEABRN C[C@H]1[C@@H]2[C@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C ZINC000004025145 210101747 /nfs/dbraw/zinc/10/17/47/210101747.db2.gz UNJZVKFTIFAQTA-HYJJVSRMSA-N 0 0 342.443 2.394 40 0 EEABRN O=C(NCc1cccc(Cl)c1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000101969213 219176461 /nfs/dbraw/zinc/17/64/61/219176461.db2.gz SZHYWCUJKPZRGP-XBXGTLAGSA-N 0 0 333.823 2.449 40 0 EEABRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCSCC1 ZINC000066376380 215036537 /nfs/dbraw/zinc/03/65/37/215036537.db2.gz XYUVPLUHDNWXGB-MRXNPFEDSA-N 0 0 334.485 2.480 40 0 EEABRN COCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002927251 209942499 /nfs/dbraw/zinc/94/24/99/209942499.db2.gz ZTBHBAXXCCAILK-UHFFFAOYSA-N 0 0 338.713 2.450 40 0 EEABRN Cn1nc2c(cc1=O)C[C@@H](C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000225741366 282813083 /nfs/dbraw/zinc/81/30/83/282813083.db2.gz RPAKEKPDJWMNRZ-KBXCAEBGSA-N 0 0 337.423 2.079 40 0 EEABRN Cc1cccc(C)c1NC(=S)c1c(N)[nH]c(N2CCCC2)nc1=O ZINC000040385663 213295927 /nfs/dbraw/zinc/29/59/27/213295927.db2.gz IPAKYWGGSSJKDP-UHFFFAOYSA-N 0 0 343.456 2.357 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCSC2(CCCCC2)C1 ZINC000135305677 295869827 /nfs/dbraw/zinc/86/98/27/295869827.db2.gz MJPVYMZOECOSCP-ZDUSSCGKSA-N 0 0 348.534 2.271 40 0 EEABRN CCOC(=O)c1cc(I)ccc1OC(C)=O ZINC000039951609 213244157 /nfs/dbraw/zinc/24/41/57/213244157.db2.gz LJTQMDJRUBLAEI-UHFFFAOYSA-N 0 0 334.109 2.393 40 0 EEABRN CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000037494976 213148872 /nfs/dbraw/zinc/14/88/72/213148872.db2.gz XTUKOABOIAXITL-UHFFFAOYSA-N 0 0 325.206 2.047 40 0 EEABRN Cc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)n1 ZINC000071195801 215743617 /nfs/dbraw/zinc/74/36/17/215743617.db2.gz LGQYKXVIFRLYAA-MRXNPFEDSA-N 0 0 348.410 2.237 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000189540907 237004279 /nfs/dbraw/zinc/00/42/79/237004279.db2.gz OTCLZZRNHZMKSO-KBMXLJTQSA-N 0 0 335.452 2.119 40 0 EEABRN COc1ccc(-n2nnnc2SCC(=O)N2CCCC[C@H]2C)cc1 ZINC000000415615 209579039 /nfs/dbraw/zinc/57/90/39/209579039.db2.gz ZBADVIMDUILZNX-GFCCVEGCSA-N 0 0 347.444 2.164 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(F)c1 ZINC000072241897 216080475 /nfs/dbraw/zinc/08/04/75/216080475.db2.gz QGILMILHDIAOQK-AEFFLSMTSA-N 0 0 341.386 2.447 40 0 EEABRN CN1C(=O)CCc2cc(S(=O)(=O)NCc3cccs3)ccc21 ZINC000072264741 216085579 /nfs/dbraw/zinc/08/55/79/216085579.db2.gz TZBPIILTDSTNJO-UHFFFAOYSA-N 0 0 336.438 2.136 40 0 EEABRN Cc1c(CNC(=O)C2(c3ccc(C)cc3)CCOCC2)cnn1C ZINC000072265177 216086717 /nfs/dbraw/zinc/08/67/17/216086717.db2.gz ZMFOTMDKEWGYME-UHFFFAOYSA-N 0 0 327.428 2.402 40 0 EEABRN CC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072361699 216167475 /nfs/dbraw/zinc/16/74/75/216167475.db2.gz WUMAHUBDEDZCNW-AWEZNQCLSA-N 0 0 340.383 2.094 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nc(N)ncc2-c2cccc(F)c2)C1 ZINC000072346036 216159297 /nfs/dbraw/zinc/15/92/97/216159297.db2.gz DRXMISKAEIXBNK-ZDUSSCGKSA-N 0 0 344.390 2.217 40 0 EEABRN CCC(=O)N1CCC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363587 216170323 /nfs/dbraw/zinc/17/03/23/216170323.db2.gz BKDHDMPWUZFVHS-ZDUSSCGKSA-N 0 0 326.404 2.435 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363608 216170516 /nfs/dbraw/zinc/17/05/16/216170516.db2.gz DHWVPFJDQCARPH-LBPRGKRZSA-N 0 0 347.444 2.338 40 0 EEABRN Cc1ccccc1Oc1cncc([C@H]2CCCN(CC(N)=O)C2)n1 ZINC000072361863 216168396 /nfs/dbraw/zinc/16/83/96/216168396.db2.gz GCMAWTVQRSZWCS-AWEZNQCLSA-N 0 0 326.400 2.242 40 0 EEABRN NC(=O)CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072367805 216174485 /nfs/dbraw/zinc/17/44/85/216174485.db2.gz YJSQOKPHLDFARI-OAHLLOKOSA-N 0 0 327.403 2.476 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@@H](Cc2ccc(NCc3ccccc3)nn2)C1 ZINC000072387255 216186172 /nfs/dbraw/zinc/18/61/72/216186172.db2.gz ADHMYCJLPROYEP-INIZCTEOSA-N 0 0 340.427 2.428 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 ZINC000072382497 216183337 /nfs/dbraw/zinc/18/33/37/216183337.db2.gz WDICQYTZCAUODH-ZDUSSCGKSA-N 0 0 327.388 2.234 40 0 EEABRN O=c1cc(C2CCN(Cc3ncc[nH]3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392865 216191616 /nfs/dbraw/zinc/19/16/16/216191616.db2.gz QNORNHGZRMYWSB-UHFFFAOYSA-N 0 0 336.399 2.347 40 0 EEABRN COCCc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)n(C)n1 ZINC000193927090 240363486 /nfs/dbraw/zinc/36/34/86/240363486.db2.gz SBSYNFXAHWADKV-LSDHHAIUSA-N 0 0 332.379 2.426 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408709627 238297663 /nfs/dbraw/zinc/29/76/63/238297663.db2.gz VNKBYONFMKXGAR-WFASDCNBSA-N 0 0 343.427 2.212 40 0 EEABRN COCCCCC(=O)N1CCN(c2nncc3ccccc32)CC1 ZINC000073102332 216349041 /nfs/dbraw/zinc/34/90/41/216349041.db2.gz BPQWNYBWKOKVMB-UHFFFAOYSA-N 0 0 328.416 2.095 40 0 EEABRN C[C@H](c1nnnn1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000192061633 239476373 /nfs/dbraw/zinc/47/63/73/239476373.db2.gz CIOZFQXCPYEKNL-CZUORRHYSA-N 0 0 335.452 2.119 40 0 EEABRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2sccc2Br)CC1=O ZINC000195531126 240987407 /nfs/dbraw/zinc/98/74/07/240987407.db2.gz FLMLOHAQWZDIQP-WEDXCCLWSA-N 0 0 343.246 2.250 40 0 EEABRN Cc1ccccc1[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)CCS1 ZINC000219284519 241374430 /nfs/dbraw/zinc/37/44/30/241374430.db2.gz YAPGKLODUPGVMF-HNNXBMFYSA-N 0 0 346.452 2.151 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218604407 241334272 /nfs/dbraw/zinc/33/42/72/241334272.db2.gz BGVRUTQGUXDWCA-VNHYZAJKSA-N 0 0 345.461 2.035 40 0 EEABRN Cc1ncn(CC(=O)N2CCS[C@H](c3ccco3)CC2)c(=O)c1C ZINC000219405678 241386028 /nfs/dbraw/zinc/38/60/28/241386028.db2.gz VMJHRTGTXPPXTP-HNNXBMFYSA-N 0 0 347.440 2.160 40 0 EEABRN CN(c1cccc(NC(=S)NCc2ccco2)c1)S(C)(=O)=O ZINC000225317657 241824900 /nfs/dbraw/zinc/82/49/00/241824900.db2.gz QVPQJSOIUOFPIS-UHFFFAOYSA-N 0 0 339.442 2.162 40 0 EEABRN O=C1C[C@]2(CCSC2)C(=O)N1Cc1ccn(-c2ccccc2F)n1 ZINC000225477247 241884656 /nfs/dbraw/zinc/88/46/56/241884656.db2.gz SUKVDNMFIOPENS-KRWDZBQOSA-N 0 0 345.399 2.394 40 0 EEABRN C[C@@H]1C(=O)NCCCN1C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000225561833 241928362 /nfs/dbraw/zinc/92/83/62/241928362.db2.gz PUHLRAFTVCXVPA-GFCCVEGCSA-N 0 0 339.386 2.208 40 0 EEABRN COc1nccnc1O[C@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000225807608 242046994 /nfs/dbraw/zinc/04/69/94/242046994.db2.gz RCQQKYQZDLZMQV-NSHDSACASA-N 0 0 335.310 2.057 40 0 EEABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCN2CCCC2=O)c1 ZINC000225812402 242047713 /nfs/dbraw/zinc/04/77/13/242047713.db2.gz OEWUIPYOLFXKQB-UHFFFAOYSA-N 0 0 349.456 2.081 40 0 EEABRN CC[C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949828 242079094 /nfs/dbraw/zinc/07/90/94/242079094.db2.gz RWYPPEYYSHVIME-MFKMUULPSA-N 0 0 332.853 2.235 40 0 EEABRN CCn1ccc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)n1 ZINC000227150289 242122366 /nfs/dbraw/zinc/12/23/66/242122366.db2.gz VDAYNJWQUGKCJQ-CYBMUJFWSA-N 0 0 325.372 2.495 40 0 EEABRN COc1ccc(OCc2cn(CC(=O)N3CCCCCC3)nn2)cc1 ZINC000227167838 242126697 /nfs/dbraw/zinc/12/66/97/242126697.db2.gz BGYDNCGTLHSXBS-UHFFFAOYSA-N 0 0 344.415 2.268 40 0 EEABRN COc1ccc(OCc2cn(CC(=O)N3CCC[C@H](C)C3)nn2)cc1 ZINC000227167906 242127503 /nfs/dbraw/zinc/12/75/03/242127503.db2.gz JZZLXONVFBFYHN-AWEZNQCLSA-N 0 0 344.415 2.124 40 0 EEABRN COc1ccc(OC)c(CN(C(=O)[C@H]2COCCO2)C(C)(C)C)c1 ZINC000241961314 243008105 /nfs/dbraw/zinc/00/81/05/243008105.db2.gz URIUIWXLLAOSIU-MRXNPFEDSA-N 0 0 337.416 2.246 40 0 EEABRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCOC[C@@H]1c1ncon1 ZINC000242389695 243022670 /nfs/dbraw/zinc/02/26/70/243022670.db2.gz ZZQHWDVBROLKNT-CYBMUJFWSA-N 0 0 340.339 2.247 40 0 EEABRN C[C@]12CCC(=O)N1[C@@H](C(=O)NC1(c3ccccc3F)CC1)CS2 ZINC000096412130 291436643 /nfs/dbraw/zinc/43/66/43/291436643.db2.gz CCRALOQTNPWYGT-CJNGLKHVSA-N 0 0 334.416 2.385 40 0 EEABRN CCC[C@]12CCCN1C(=O)N(C1CCN(C(=O)OCC)CC1)C2=O ZINC000253427616 284093118 /nfs/dbraw/zinc/09/31/18/284093118.db2.gz AEDOEJGUFYLING-QGZVFWFLSA-N 0 0 337.420 2.204 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(C)c2)cc1 ZINC000020462363 212133933 /nfs/dbraw/zinc/13/39/33/212133933.db2.gz AVZRHYGURKGUEY-UHFFFAOYSA-N 0 0 333.409 2.401 40 0 EEABRN CN(Cc1ccc(/C=C/C(=O)NCc2ccccc2)o1)S(C)(=O)=O ZINC000020449822 212130113 /nfs/dbraw/zinc/13/01/13/212130113.db2.gz IDZBGRACFAFDTR-ZHACJKMWSA-N 0 0 348.424 2.001 40 0 EEABRN CCn1nc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cc1C ZINC000257203216 244124689 /nfs/dbraw/zinc/12/46/89/244124689.db2.gz APCPFRBHZWPOBD-GOSISDBHSA-N 0 0 340.427 2.257 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 ZINC000257209098 244144524 /nfs/dbraw/zinc/14/45/24/244144524.db2.gz BOYNDZYNQAKKSM-OAHLLOKOSA-N 0 0 329.404 2.120 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257212755 244157849 /nfs/dbraw/zinc/15/78/49/244157849.db2.gz CEUSWKADXAHITL-SFHVURJKSA-N 0 0 341.411 2.438 40 0 EEABRN CCc1noc(C)c1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257220967 244185963 /nfs/dbraw/zinc/18/59/63/244185963.db2.gz DMZQEAADNUQOKM-LBPRGKRZSA-N 0 0 330.388 2.159 40 0 EEABRN CC[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cc(F)ccc1F ZINC000077137838 216844900 /nfs/dbraw/zinc/84/49/00/216844900.db2.gz OLXHOZJTVOXTFL-YGRLFVJLSA-N 0 0 325.359 2.323 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)CCO2)ccn1 ZINC000257235497 244226904 /nfs/dbraw/zinc/22/69/04/244226904.db2.gz GYCVYYMKKDTHHA-GOSISDBHSA-N 0 0 349.394 2.184 40 0 EEABRN Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)c3cccnc3)C2)n1 ZINC000257239181 244237578 /nfs/dbraw/zinc/23/75/78/244237578.db2.gz HOGKTEFQBKYUHN-HNNXBMFYSA-N 0 0 348.410 2.210 40 0 EEABRN CCc1cc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)no1 ZINC000257241793 244245863 /nfs/dbraw/zinc/24/58/63/244245863.db2.gz HZPIQJBHAZZSQU-UHFFFAOYSA-N 0 0 327.388 2.134 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000257250057 244265605 /nfs/dbraw/zinc/26/56/05/244265605.db2.gz JKVJSWINWCYHPA-LBPRGKRZSA-N 0 0 339.848 2.456 40 0 EEABRN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1 ZINC000020121164 212104482 /nfs/dbraw/zinc/10/44/82/212104482.db2.gz UZXMXYJNQZDUOQ-MRXNPFEDSA-N 0 0 328.464 2.073 40 0 EEABRN C[C@]1(O)CN(C(=O)Cc2cccnc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257264104 244355606 /nfs/dbraw/zinc/35/56/06/244355606.db2.gz LSYSTKIHDROYOP-HKUYNNGSSA-N 0 0 344.386 2.194 40 0 EEABRN O=C(c1cc[nH]n1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257272007 244381092 /nfs/dbraw/zinc/38/10/92/244381092.db2.gz NASJXLXJXASTOI-CYBMUJFWSA-N 0 0 325.368 2.487 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 ZINC000257288366 244425665 /nfs/dbraw/zinc/42/56/65/244425665.db2.gz PTYIHPPDEDMVIN-AWEZNQCLSA-N 0 0 343.431 2.358 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@H](Cc3cc(C)ncn3)C2)s1 ZINC000257298643 244456068 /nfs/dbraw/zinc/45/60/68/244456068.db2.gz RMSLCXAONYRDPT-OAHLLOKOSA-N 0 0 345.468 2.415 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@@H]1c1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000079098522 284186072 /nfs/dbraw/zinc/18/60/72/284186072.db2.gz CIPODANPHBTBBI-NUEKZKHPSA-N 0 0 338.473 2.397 40 0 EEABRN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CC(CO)C1 ZINC000252494754 296151369 /nfs/dbraw/zinc/15/13/69/296151369.db2.gz ODOUKRZZFBKRLB-ZBFHGGJFSA-N 0 0 336.229 2.104 40 0 EEABRN Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)C(C)C)n1 ZINC000019697459 212056083 /nfs/dbraw/zinc/05/60/83/212056083.db2.gz ODQIXVBWJYSEIY-UHFFFAOYSA-N 0 0 344.390 2.491 40 0 EEABRN COCC(=O)N1CCC(c2cc(-c3ccc(N)nc3)cc(C)n2)CC1 ZINC000019692165 212055666 /nfs/dbraw/zinc/05/56/66/212055666.db2.gz ZKVFOKKKVGJXMA-UHFFFAOYSA-N 0 0 340.427 2.387 40 0 EEABRN CN1CCN(C(=O)CCn2c(C(F)(F)F)cc3cccnc32)CC1 ZINC000019589715 212048119 /nfs/dbraw/zinc/04/81/19/212048119.db2.gz LOFDYRNDPFQRCC-UHFFFAOYSA-N 0 0 340.349 2.219 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1ccccc1F ZINC000019520857 212036178 /nfs/dbraw/zinc/03/61/78/212036178.db2.gz GWHFIXCNDUSKPF-LLVKDONJSA-N 0 0 329.331 2.337 40 0 EEABRN CCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccc(C)cc2)c1N ZINC000019498772 212033349 /nfs/dbraw/zinc/03/33/49/212033349.db2.gz FZNZIAQTGHUUNG-HNNXBMFYSA-N 0 0 326.400 2.347 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc2c1CCCC2 ZINC000077938148 217002972 /nfs/dbraw/zinc/00/29/72/217002972.db2.gz CQZVUBUJJGUQKM-YOEHRIQHSA-N 0 0 330.428 2.171 40 0 EEABRN CCN1C[C@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1=O ZINC000078608835 217085659 /nfs/dbraw/zinc/08/56/59/217085659.db2.gz KVBHGRQQCNLWTP-LLVKDONJSA-N 0 0 348.403 2.075 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000078611470 217086635 /nfs/dbraw/zinc/08/66/35/217086635.db2.gz ZASRMORCALNKGS-LBPRGKRZSA-N 0 0 330.388 2.302 40 0 EEABRN C[C@@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccncc1 ZINC000078777266 217119441 /nfs/dbraw/zinc/11/94/41/217119441.db2.gz QWGSMYLUJOQPKV-CQSZACIVSA-N 0 0 338.411 2.027 40 0 EEABRN Cc1cc(C)n2nc(CCCOC(=O)c3ccn(C(C)C)n3)nc2n1 ZINC000079101934 217194194 /nfs/dbraw/zinc/19/41/94/217194194.db2.gz KLIXHAMLCSBAGK-UHFFFAOYSA-N 0 0 342.403 2.308 40 0 EEABRN COC(=O)C[C@H](C)NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000079310083 217207044 /nfs/dbraw/zinc/20/70/44/217207044.db2.gz ZJLDVBXKJRCKST-JTQLQIEISA-N 0 0 335.791 2.422 40 0 EEABRN O[C@H](CN1CCN(CC(F)(F)C(F)F)CC1)c1cccc(F)c1 ZINC000079311786 217207572 /nfs/dbraw/zinc/20/75/72/217207572.db2.gz WMKKJORXXKZRLL-CYBMUJFWSA-N 0 0 338.320 2.377 40 0 EEABRN C[C@H](c1cccnc1)N1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000079353412 217214154 /nfs/dbraw/zinc/21/41/54/217214154.db2.gz GHSNAHWRNYQJMZ-CYBMUJFWSA-N 0 0 345.365 2.256 40 0 EEABRN O=C(c1cccc(-n2cncn2)c1)N1CCC(Nc2cccnc2)CC1 ZINC000079361724 217216546 /nfs/dbraw/zinc/21/65/46/217216546.db2.gz YYPBRMHWQFXBMJ-UHFFFAOYSA-N 0 0 348.410 2.379 40 0 EEABRN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cccnc3)c2c1 ZINC000080625091 217320475 /nfs/dbraw/zinc/32/04/75/217320475.db2.gz JYAWWPQKBVRYSV-UHFFFAOYSA-N 0 0 331.397 2.093 40 0 EEABRN COc1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013790250 211638848 /nfs/dbraw/zinc/63/88/48/211638848.db2.gz PRFVPEOADGQSSQ-UHFFFAOYSA-N 0 0 337.426 2.152 40 0 EEABRN Cn1ncc2c1CCc1sc(NC(=O)C3CCC(=O)CC3)nc1-2 ZINC000012327379 211348552 /nfs/dbraw/zinc/34/85/52/211348552.db2.gz OUPXPYNPTLGSPH-UHFFFAOYSA-N 0 0 330.413 2.340 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012185691 211313869 /nfs/dbraw/zinc/31/38/69/211313869.db2.gz ZTUHHKRMSFEKEE-UHFFFAOYSA-N 0 0 341.367 2.046 40 0 EEABRN CCCn1c2nnc(SCCC(=O)OC)n2c2ccccc2c1=O ZINC000009157685 211047269 /nfs/dbraw/zinc/04/72/69/211047269.db2.gz OEZIAAUURBUKBW-UHFFFAOYSA-N 0 0 346.412 2.109 40 0 EEABRN CCS(=O)(=O)c1cccc(NCC(=O)NCCC(C)(C)C)c1 ZINC000095417997 218357515 /nfs/dbraw/zinc/35/75/15/218357515.db2.gz CNWBWPALCAHUNT-UHFFFAOYSA-N 0 0 326.462 2.445 40 0 EEABRN CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000095436999 218380269 /nfs/dbraw/zinc/38/02/69/218380269.db2.gz ULAHCMOCNLTYAH-SONXGWPDSA-N 0 0 346.537 2.409 40 0 EEABRN O=C1c2ccccc2C(=O)N1CCc1nnc(-c2ccccc2O)o1 ZINC000095532199 218433745 /nfs/dbraw/zinc/43/37/45/218433745.db2.gz MCLCIOTXZRZIDX-UHFFFAOYSA-N 0 0 335.319 2.281 40 0 EEABRN Cc1ccc(N2CCCc3sc(C(=O)N4CCCO4)nc32)nn1 ZINC000096037473 218518156 /nfs/dbraw/zinc/51/81/56/218518156.db2.gz MDBWMXNFCNELLY-UHFFFAOYSA-N 0 0 331.401 2.103 40 0 EEABRN CCc1ccccc1NC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000096410808 218765324 /nfs/dbraw/zinc/76/53/24/218765324.db2.gz CCGUYCKECVEDIR-UHFFFAOYSA-N 0 0 349.394 2.085 40 0 EEABRN COC[C@@H]1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1 ZINC000096423730 218791964 /nfs/dbraw/zinc/79/19/64/218791964.db2.gz DZOIETOWWBWPEE-CQSZACIVSA-N 0 0 348.418 2.380 40 0 EEABRN C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1nccn1C(F)F ZINC000096443503 218824559 /nfs/dbraw/zinc/82/45/59/218824559.db2.gz AMDUDFSFLKBJMI-NSHDSACASA-N 0 0 333.346 2.447 40 0 EEABRN CC(=O)c1cccc(NC(=O)CSc2nncn2-n2cccc2)c1 ZINC000005223815 210417101 /nfs/dbraw/zinc/41/71/01/210417101.db2.gz PCQDFLUIVWQDPU-UHFFFAOYSA-N 0 0 341.396 2.324 40 0 EEABRN Nc1c(NCCCn2cnc3ccccc32)ncnc1-n1cccn1 ZINC000097102965 218954532 /nfs/dbraw/zinc/95/45/32/218954532.db2.gz UAEKJVLCEVHCGY-UHFFFAOYSA-N 0 0 334.387 2.096 40 0 EEABRN CSc1nc2c(ncn2[C@@H]2C=C[C@@H](OC(C)=O)CO2)c(Cl)n1 ZINC000004919457 210323636 /nfs/dbraw/zinc/32/36/36/210323636.db2.gz SIGRORQYHCPAQF-BDAKNGLRSA-N 0 0 340.792 2.218 40 0 EEABRN CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000274671737 256378851 /nfs/dbraw/zinc/37/88/51/256378851.db2.gz JTQKMIPOINWSLG-HNNXBMFYSA-N 0 0 341.429 2.226 40 0 EEABRN CC[C@@]1(C)CN(C(=O)NCCc2cc(OC)ccc2OC)CCO1 ZINC000276974798 256485314 /nfs/dbraw/zinc/48/53/14/256485314.db2.gz UTFZJVODWMRCQO-SFHVURJKSA-N 0 0 336.432 2.457 40 0 EEABRN O=C(NCCc1nncn1C1CC1)[C@@H]1SCCc2ccccc21 ZINC000080173168 257834920 /nfs/dbraw/zinc/83/49/20/257834920.db2.gz JQPUWPRADZISOX-MRXNPFEDSA-N 0 0 328.441 2.302 40 0 EEABRN Cc1cnc(N2CC[C@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)nc1 ZINC000306135240 257922131 /nfs/dbraw/zinc/92/21/31/257922131.db2.gz OLKRTROBOFKODJ-MAUKXSAKSA-N 0 0 344.390 2.459 40 0 EEABRN CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 ZINC000027028631 258005457 /nfs/dbraw/zinc/00/54/57/258005457.db2.gz YAPQXORASKDGDU-KBPBESRZSA-N 0 0 348.428 2.307 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000096446341 533324378 /nfs/dbraw/zinc/32/43/78/533324378.db2.gz XXLIULITFQRNEC-OCCSQVGLSA-N 0 0 343.395 2.152 40 0 EEABRN CO[C@@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)CC[C@@H]1C ZINC000190213010 533465142 /nfs/dbraw/zinc/46/51/42/533465142.db2.gz ZMJFROLASKYMIJ-GOEBONIOSA-N 0 0 343.431 2.410 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NCCCCc2ccccc2)c1 ZINC000408707068 533487323 /nfs/dbraw/zinc/48/73/23/533487323.db2.gz JDXCAZMLQZFHRY-UHFFFAOYSA-N 0 0 340.423 2.451 40 0 EEABRN O=S(=O)(c1cccnc1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000096428669 296472946 /nfs/dbraw/zinc/47/29/46/296472946.db2.gz ZDMXVLSCSJZKDD-HNNXBMFYSA-N 0 0 340.408 2.271 40 0 EEABRN O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000056997436 132198334 /nfs/dbraw/zinc/19/83/34/132198334.db2.gz PGNUNSCURUVSTQ-UHFFFAOYSA-N 0 0 333.432 2.439 40 0 EEABRN COc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCCCC3)cc1OC ZINC000001780673 286263448 /nfs/dbraw/zinc/26/34/48/286263448.db2.gz XXGNLOXJXBUFIJ-UHFFFAOYSA-N 0 0 330.384 2.215 40 0 EEABRN Cc1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)sc1C ZINC000289702036 275140669 /nfs/dbraw/zinc/14/06/69/275140669.db2.gz DSIDDGDZUVVBBX-UHFFFAOYSA-N 0 0 341.336 2.245 40 0 EEABRN CC(C)n1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3 ZINC000019962251 275780998 /nfs/dbraw/zinc/78/09/98/275780998.db2.gz TVAWAFIKHNRIDX-SNVBAGLBSA-N 0 0 339.351 2.171 40 0 EEABRN CC(C)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407795 275869110 /nfs/dbraw/zinc/86/91/10/275869110.db2.gz RHUVBDQYYUHBTF-NWDGAFQWSA-N 0 0 345.369 2.460 40 0 EEABRN Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccc(C)nc4)CC[C@H]3O2)n1 ZINC000096066485 279258517 /nfs/dbraw/zinc/25/85/17/279258517.db2.gz LIUCFDRVQPPVND-RRFJBIMHSA-N 0 0 328.372 2.074 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2ncn(CC3CC3)c21 ZINC000096045136 279738064 /nfs/dbraw/zinc/73/80/64/279738064.db2.gz XPZIGSHNAQFMOM-AWEZNQCLSA-N 0 0 344.415 2.366 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000072241320 289814758 /nfs/dbraw/zinc/81/47/58/289814758.db2.gz MDDQNKUFCILQHO-HZPDHXFCSA-N 0 0 348.786 2.148 40 0 EEABRN COc1ccccc1C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000261949261 295350226 /nfs/dbraw/zinc/35/02/26/295350226.db2.gz LKZHBFVGVVNIJB-INIZCTEOSA-N 0 0 326.396 2.491 40 0 EEABRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cncc(F)c1 ZINC000332376443 311997414 /nfs/dbraw/zinc/99/74/14/311997414.db2.gz UBVMFAYGUGIJOD-MEDUHNTESA-N 0 0 336.388 2.233 40 0 EEABRN Cn1nccc1[C@H]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CCO1 ZINC000333962530 312220175 /nfs/dbraw/zinc/22/01/75/312220175.db2.gz NAODBINXKPWPJR-SUMWQHHRSA-N 0 0 328.416 2.277 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000097095111 323320147 /nfs/dbraw/zinc/32/01/47/323320147.db2.gz WGDJKKTVBYSPDD-DYEKYZERSA-N 0 0 342.386 2.250 40 0 EEABRN CC(C)(O)[C@H]1CCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000097375948 323322224 /nfs/dbraw/zinc/32/22/24/323322224.db2.gz UQCIHRCGLABOMG-CQSZACIVSA-N 0 0 328.359 2.289 40 0 EEABRN COCCCNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000097371602 323322299 /nfs/dbraw/zinc/32/22/99/323322299.db2.gz FBSGQCUNKKRZNO-HNNXBMFYSA-N 0 0 343.431 2.397 40 0 EEABRN Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000084754131 463628348 /nfs/dbraw/zinc/62/83/48/463628348.db2.gz KWZRFPJLHWSIBW-UHFFFAOYSA-N 0 0 342.442 2.138 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000339444149 465278002 /nfs/dbraw/zinc/27/80/02/465278002.db2.gz GIRMJMFAZOVNQM-UHFFFAOYSA-N 0 0 330.359 2.157 40 0 EEABRN Cn1nc(CNC(=O)COc2ccccc2F)cc1-c1ccccn1 ZINC000085556614 462552256 /nfs/dbraw/zinc/55/22/56/462552256.db2.gz QJMQZTXSCBGJHH-UHFFFAOYSA-N 0 0 340.358 2.316 40 0 EEABRN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccn(-c2ccccc2)n1 ZINC000086058717 462564207 /nfs/dbraw/zinc/56/42/07/462564207.db2.gz JHIOOGRPDLVPFX-CYBMUJFWSA-N 0 0 325.368 2.040 40 0 EEABRN COc1ccccc1NC(=O)CSc1nnc(NC(C)=O)s1 ZINC000001371450 462580437 /nfs/dbraw/zinc/58/04/37/462580437.db2.gz CLYXTRDUULOPGX-UHFFFAOYSA-N 0 0 338.414 2.236 40 0 EEABRN CC[C@@H](C)N1c2ccccc2[C@@](O)([C@H]2COC(C)(C)CC2=O)C1=O ZINC000002090850 462588957 /nfs/dbraw/zinc/58/89/57/462588957.db2.gz JAIOBOFIGKVRCE-SPKLELGKSA-N 0 0 331.412 2.404 40 0 EEABRN Cc1cccnc1CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000074352543 462588938 /nfs/dbraw/zinc/58/89/38/462588938.db2.gz JGDSIHMGAWFZDW-HNNXBMFYSA-N 0 0 344.459 2.370 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1 ZINC000062021968 462606906 /nfs/dbraw/zinc/60/69/06/462606906.db2.gz YVMRGXJFWFKJBT-UHFFFAOYSA-N 0 0 342.443 2.128 40 0 EEABRN COCCO[C@H](C)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000074509157 462608454 /nfs/dbraw/zinc/60/84/54/462608454.db2.gz CEFFIOLIIDVUPD-SNVBAGLBSA-N 0 0 348.212 2.298 40 0 EEABRN COc1cccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000045810466 462621080 /nfs/dbraw/zinc/62/10/80/462621080.db2.gz PCXDJIXHXNJSSU-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000045866068 462626242 /nfs/dbraw/zinc/62/62/42/462626242.db2.gz SGFIXYZYQRSCAP-UHFFFAOYSA-N 0 0 325.411 2.199 40 0 EEABRN O=C(c1ccc(N2CCCC2)nn1)N1CCN(c2ccccc2)CC1 ZINC000075172528 462691191 /nfs/dbraw/zinc/69/11/91/462691191.db2.gz MNTDKWBSEYQZRJ-UHFFFAOYSA-N 0 0 337.427 2.039 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 ZINC000008317467 462778653 /nfs/dbraw/zinc/77/86/53/462778653.db2.gz KMONVVREXIVNSR-OAHLLOKOSA-N 0 0 346.452 2.466 40 0 EEABRN O=C(NCCO)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000008476828 462784331 /nfs/dbraw/zinc/78/43/31/462784331.db2.gz KPKOOBAFVRSBEG-UHFFFAOYSA-N 0 0 342.786 2.310 40 0 EEABRN CCCNC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010328496 462817038 /nfs/dbraw/zinc/81/70/38/462817038.db2.gz UUBMDAFGBVZVPQ-SNVBAGLBSA-N 0 0 348.852 2.029 40 0 EEABRN Cc1ccc([C@H](O)CNC(=O)c2cnc(C(F)(F)F)nc2)cc1 ZINC000132052709 462839450 /nfs/dbraw/zinc/83/94/50/462839450.db2.gz BEHYYWWEFMBTNA-GFCCVEGCSA-N 0 0 325.290 2.267 40 0 EEABRN Cc1noc(C)c1CCC(=O)N[C@H](C)Cn1nnc2ccccc21 ZINC000012141918 462845039 /nfs/dbraw/zinc/84/50/39/462845039.db2.gz BLUOJWOAXVTQMS-LLVKDONJSA-N 0 0 327.388 2.174 40 0 EEABRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(N2CCOCC2)ccn1 ZINC000132446249 462857101 /nfs/dbraw/zinc/85/71/01/462857101.db2.gz GMIFUDHMYJCWMW-NSHGMRRFSA-N 0 0 349.434 2.234 40 0 EEABRN CCOC(=O)C(C(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091368889 462875825 /nfs/dbraw/zinc/87/58/25/462875825.db2.gz SQKHGFZJAIMEFQ-UHFFFAOYSA-N 0 0 343.420 2.376 40 0 EEABRN CCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000048586099 462922574 /nfs/dbraw/zinc/92/25/74/462922574.db2.gz YDTUZOIFXMWLFO-UHFFFAOYSA-N 0 0 340.379 2.161 40 0 EEABRN O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nn2cnnc2)cc1 ZINC000014405723 462927672 /nfs/dbraw/zinc/92/76/72/462927672.db2.gz MZOYBEDHVIUOTC-BQYQJAHWSA-N 0 0 339.380 2.375 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000133497168 462939329 /nfs/dbraw/zinc/93/93/29/462939329.db2.gz VOYVCQYYNHJEPD-GHMZBOCLSA-N 0 0 348.262 2.149 40 0 EEABRN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1 ZINC000049170066 462958583 /nfs/dbraw/zinc/95/85/83/462958583.db2.gz XRHKXJHGJYYQIO-LBPRGKRZSA-N 0 0 325.372 2.458 40 0 biogenic,in-vitro EEABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016293253 462973822 /nfs/dbraw/zinc/97/38/22/462973822.db2.gz SJIMHSXQUQHDDR-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cnn(C)c2)C1 ZINC000019712302 463020615 /nfs/dbraw/zinc/02/06/15/463020615.db2.gz VFTVGPIYTKHQIT-PBHICJAKSA-N 0 0 342.399 2.029 40 0 EEABRN CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2cnccn2)C1 ZINC000019712309 463021044 /nfs/dbraw/zinc/02/10/44/463021044.db2.gz FFRUDDHPHBHVOO-DYVFJYSZSA-N 0 0 340.383 2.085 40 0 EEABRN C[C@@H](CO)[C@H](C)NC(=O)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000077684699 463023305 /nfs/dbraw/zinc/02/33/05/463023305.db2.gz ZBAIHNKOJLMKQA-KBPBESRZSA-N 0 0 329.400 2.035 40 0 EEABRN COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000022540520 463051333 /nfs/dbraw/zinc/05/13/33/463051333.db2.gz SUOIXIIUYGFQQR-LBPRGKRZSA-N 0 0 330.359 2.328 40 0 EEABRN CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077845237 463063227 /nfs/dbraw/zinc/06/32/27/463063227.db2.gz QZDDTMCQRZTMFP-PSLIRLAXSA-N 0 0 330.787 2.331 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000024255928 463081812 /nfs/dbraw/zinc/08/18/12/463081812.db2.gz UMAASGXHANERBO-UHFFFAOYSA-N 0 0 348.380 2.232 40 0 EEABRN Cc1ccccc1C1(CNC(=O)N2CCOC[C@H]2C[C@H](C)O)CC1 ZINC000135070118 463115197 /nfs/dbraw/zinc/11/51/97/463115197.db2.gz MOZPUCJKEGPKEX-JKSUJKDBSA-N 0 0 332.444 2.208 40 0 EEABRN Cn1cccc1C(=O)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040691 463145035 /nfs/dbraw/zinc/14/50/35/463145035.db2.gz LGQUERVONDVJPB-DAYGRLMNSA-N 0 0 340.427 2.152 40 0 EEABRN CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000157579881 463145666 /nfs/dbraw/zinc/14/56/66/463145666.db2.gz CZNIOERACXJEOG-OAHLLOKOSA-N 0 0 341.908 2.065 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)o1 ZINC000096041654 463146706 /nfs/dbraw/zinc/14/67/06/463146706.db2.gz GZYCDZXNDJDNOL-LZLYRXPVSA-N 0 0 349.427 2.403 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)c1 ZINC000096041847 463146715 /nfs/dbraw/zinc/14/67/15/463146715.db2.gz RZSXZUCHJAFTET-IPMKNSEASA-N 0 0 342.443 2.117 40 0 EEABRN c1cncc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096042208 463147321 /nfs/dbraw/zinc/14/73/21/463147321.db2.gz KTHQSUPJRUFUFT-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccc(F)cc1 ZINC000096045352 463148952 /nfs/dbraw/zinc/14/89/52/463148952.db2.gz SBJUKAFWJNYDQN-MRXNPFEDSA-N 0 0 344.390 2.213 40 0 EEABRN Cc1cccc(C(=O)N2CCC3(CCN(CC4CC4)C3=O)CC2)n1 ZINC000096046882 463150456 /nfs/dbraw/zinc/15/04/56/463150456.db2.gz SVWANTVTPRBMIM-UHFFFAOYSA-N 0 0 327.428 2.255 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccccc4C)C[C@H]3O2)[nH]1 ZINC000096046229 463150831 /nfs/dbraw/zinc/15/08/31/463150831.db2.gz NYSHDYXDZSDFQD-GVDBMIGSSA-N 0 0 340.427 2.343 40 0 EEABRN O=S1(=O)C[C@@H]2NC(=S)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000026505404 463165874 /nfs/dbraw/zinc/16/58/74/463165874.db2.gz JECIGSHQZUKUGO-UWVGGRQHSA-N 0 0 337.253 2.265 40 0 EEABRN Cn1nccc1C(=O)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074067 463167178 /nfs/dbraw/zinc/16/71/78/463167178.db2.gz MUIGZSDESBRNIC-QGZVFWFLSA-N 0 0 344.440 2.141 40 0 EEABRN c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2cnccn2)c1 ZINC000096082535 463170213 /nfs/dbraw/zinc/17/02/13/463170213.db2.gz FWOFISCMZJKPFE-LZLYRXPVSA-N 0 0 326.400 2.072 40 0 EEABRN Cc1ncoc1C(=O)N1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC000096109781 463178245 /nfs/dbraw/zinc/17/82/45/463178245.db2.gz BIVYDNQKLAPFJZ-GFCCVEGCSA-N 0 0 330.388 2.323 40 0 EEABRN CCc1nc(CCNc2ccc(C(=O)NCCOC)cn2)sc1C ZINC000079031098 463181607 /nfs/dbraw/zinc/18/16/07/463181607.db2.gz CSENHDVZWXUSNE-UHFFFAOYSA-N 0 0 348.472 2.440 40 0 EEABRN C[S@@](=O)c1nncn1Cc1cc(Br)ccc1Cl ZINC000079031505 463181773 /nfs/dbraw/zinc/18/17/73/463181773.db2.gz HPINIKAMIQRHEP-KRWDZBQOSA-N 0 0 334.626 2.480 40 0 EEABRN COc1c(C(=O)NCc2ccco2)nnn1Cc1ccc(C)cc1 ZINC000096183348 463195371 /nfs/dbraw/zinc/19/53/71/463195371.db2.gz GCJLAYZKZSWXKI-UHFFFAOYSA-N 0 0 326.356 2.166 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096184006 463195992 /nfs/dbraw/zinc/19/59/92/463195992.db2.gz IVXYFJOQEIKNBL-CVEARBPZSA-N 0 0 341.436 2.088 40 0 EEABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000096200354 463205647 /nfs/dbraw/zinc/20/56/47/463205647.db2.gz VQOMBXXCDFBODP-IRXDYDNUSA-N 0 0 335.400 2.192 40 0 EEABRN CN1CC[C@]2(CN(C(=O)c3cccnc3)C[C@H]2c2ccccc2)C1=O ZINC000096201852 463206958 /nfs/dbraw/zinc/20/69/58/463206958.db2.gz CXTVZHNOIXOJPK-FXAWDEMLSA-N 0 0 335.407 2.170 40 0 EEABRN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000096206027 463207988 /nfs/dbraw/zinc/20/79/88/463207988.db2.gz DUYUWHAHMWAUHL-QGZVFWFLSA-N 0 0 347.459 2.080 40 0 EEABRN COC[C@@H]1Cn2cncc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096207209 463209795 /nfs/dbraw/zinc/20/97/95/463209795.db2.gz KRZLWHVTYQVLEJ-AWEZNQCLSA-N 0 0 338.411 2.293 40 0 EEABRN Cc1cc(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)no1 ZINC000096209184 463212390 /nfs/dbraw/zinc/21/23/90/463212390.db2.gz CNAOMSRVOWPAOK-OAHLLOKOSA-N 0 0 339.399 2.286 40 0 EEABRN O=C(c1cscn1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096216224 463214746 /nfs/dbraw/zinc/21/47/46/463214746.db2.gz WNLYYFPSDSSSLD-YOEHRIQHSA-N 0 0 345.424 2.381 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206715 463219502 /nfs/dbraw/zinc/21/95/02/463219502.db2.gz QVCZZSTVKSYMMD-GFCCVEGCSA-N 0 0 330.409 2.186 40 0 EEABRN CCc1ccc(CN2CC[C@@]3(CC(C(=O)NCC(C)C)=NO3)C2)o1 ZINC000096225443 463220661 /nfs/dbraw/zinc/22/06/61/463220661.db2.gz WDKXZQJQKDSAIZ-GOSISDBHSA-N 0 0 333.432 2.335 40 0 EEABRN CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 ZINC000096229730 463223373 /nfs/dbraw/zinc/22/33/73/463223373.db2.gz TYXNFBCKKONOPZ-IBGZPJMESA-N 0 0 329.444 2.370 40 0 EEABRN CCCCNC(=O)N1CCc2nc(N3CCCC3)nc(C)c2CC1 ZINC000096254721 463229025 /nfs/dbraw/zinc/22/90/25/463229025.db2.gz XVVJOEOWZZFXEJ-UHFFFAOYSA-N 0 0 331.464 2.296 40 0 EEABRN Cc1cc(OCC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)no1 ZINC000096407387 463240667 /nfs/dbraw/zinc/24/06/67/463240667.db2.gz YWQPJCXSPPQQJL-AWEZNQCLSA-N 0 0 333.363 2.286 40 0 EEABRN O=C(NCCCc1ccc(Br)cc1F)c1cn[nH]n1 ZINC000096407631 463241669 /nfs/dbraw/zinc/24/16/69/463241669.db2.gz OSEDVBGXLDNZTK-UHFFFAOYSA-N 0 0 327.157 2.069 40 0 EEABRN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)o1 ZINC000096409786 463242941 /nfs/dbraw/zinc/24/29/41/463242941.db2.gz RIUREBHGSZRJOE-CYBMUJFWSA-N 0 0 340.792 2.314 40 0 EEABRN C[C@H](c1ccc(NC(=O)NCCn2ccnc2)cc1)N1CCOCC1 ZINC000096410660 463243605 /nfs/dbraw/zinc/24/36/05/463243605.db2.gz KPHXSJHNFHQUFZ-OAHLLOKOSA-N 0 0 343.431 2.098 40 0 EEABRN O=C(CC1=CCCCC1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000096412580 463244967 /nfs/dbraw/zinc/24/49/67/463244967.db2.gz YTQPGSDIPBAFHG-KRWDZBQOSA-N 0 0 348.468 2.488 40 0 EEABRN COc1cc(Cl)ccc1CNC(=O)NCC[C@@H](O)C(F)(F)F ZINC000096413323 463245994 /nfs/dbraw/zinc/24/59/94/463245994.db2.gz GNFDNAISHTYXMC-LLVKDONJSA-N 0 0 340.729 2.461 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1(C)C ZINC000096416143 463248334 /nfs/dbraw/zinc/24/83/34/463248334.db2.gz QODXACQFSJUUEY-CHWSQXEVSA-N 0 0 326.343 2.223 40 0 EEABRN CC(C)[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@@H]1C)c1ccccc1 ZINC000096417627 463249611 /nfs/dbraw/zinc/24/96/11/463249611.db2.gz SIPIXBHKYYLADY-GOEBONIOSA-N 0 0 338.473 2.255 40 0 EEABRN O=C(NC[C@H](O)c1ccsc1)c1ccc(CN2CCOCC2)cc1 ZINC000096419989 463251686 /nfs/dbraw/zinc/25/16/86/463251686.db2.gz OZNOTWFIUXATKY-KRWDZBQOSA-N 0 0 346.452 2.044 40 0 EEABRN CC[C@@](C)(NC(=O)c1ccnc(-n2cncn2)c1)c1nc(C)cs1 ZINC000096423340 463253819 /nfs/dbraw/zinc/25/38/19/463253819.db2.gz KWMCMFIQOMEHSQ-MRXNPFEDSA-N 0 0 342.428 2.482 40 0 EEABRN Cc1nc2ccccn2c1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O ZINC000096424869 463254542 /nfs/dbraw/zinc/25/45/42/463254542.db2.gz UALNDXNGXMBTAF-SFHVURJKSA-N 0 0 335.367 2.005 40 0 EEABRN Cc1nccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000096429301 463258827 /nfs/dbraw/zinc/25/88/27/463258827.db2.gz SLSUNXRDBULHTB-UHFFFAOYSA-N 0 0 346.456 2.298 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCCC2 ZINC000096432584 463261126 /nfs/dbraw/zinc/26/11/26/463261126.db2.gz ARTSAVAGFRLPLE-IXDOHACOSA-N 0 0 348.487 2.489 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCCC2 ZINC000096432466 463261182 /nfs/dbraw/zinc/26/11/82/463261182.db2.gz ZSZXZUXMOSERSQ-HZPDHXFCSA-N 0 0 328.416 2.436 40 0 EEABRN C[S@](=O)CCNC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000096434528 463262580 /nfs/dbraw/zinc/26/25/80/463262580.db2.gz SFFXCKWHAKTRKU-JOCHJYFZSA-N 0 0 327.425 2.316 40 0 EEABRN Cc1ncsc1CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096436363 463264824 /nfs/dbraw/zinc/26/48/24/463264824.db2.gz COBXZYKNVPHKBF-MRXNPFEDSA-N 0 0 345.468 2.359 40 0 EEABRN C[C@H](NS(=O)(=O)C1CCOCC1)c1cccc(-n2cccn2)c1 ZINC000096444301 463270047 /nfs/dbraw/zinc/27/00/47/463270047.db2.gz PDIZDEUNBQBVEH-ZDUSSCGKSA-N 0 0 335.429 2.032 40 0 EEABRN CS(=O)(=O)N(Cc1ccon1)Cc1cccc(Br)c1 ZINC000096447975 463270972 /nfs/dbraw/zinc/27/09/72/463270972.db2.gz OJNZSIXDEATRTH-UHFFFAOYSA-N 0 0 345.218 2.399 40 0 EEABRN Cc1nn(C)c2ncc(NC(=O)NCc3csc(N(C)C)n3)cc12 ZINC000096446187 463271069 /nfs/dbraw/zinc/27/10/69/463271069.db2.gz HGWOTUXRZFPUBZ-UHFFFAOYSA-N 0 0 345.432 2.121 40 0 EEABRN CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@@H]2CO)sc1C ZINC000096448371 463272220 /nfs/dbraw/zinc/27/22/20/463272220.db2.gz BSDWJDWIZIDCET-TZMCWYRMSA-N 0 0 325.478 2.407 40 0 EEABRN CCn1c(CN(C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2ccccc21 ZINC000096455336 463275639 /nfs/dbraw/zinc/27/56/39/463275639.db2.gz GONYDEVTGIKAFZ-HUUCEWRRSA-N 0 0 344.459 2.124 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2nccn2CCCc2ccccc2)CCO1 ZINC000096459725 463276774 /nfs/dbraw/zinc/27/67/74/463276774.db2.gz BZVQHHHEUBCPCO-MRXNPFEDSA-N 0 0 342.443 2.446 40 0 EEABRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000096461653 463276898 /nfs/dbraw/zinc/27/68/98/463276898.db2.gz LQIJTEYXCAGVIH-INIZCTEOSA-N 0 0 333.476 2.032 40 0 EEABRN CCOc1cncc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1 ZINC000096480583 463280984 /nfs/dbraw/zinc/28/09/84/463280984.db2.gz KSICHEUHKKZOHM-UHFFFAOYSA-N 0 0 344.415 2.484 40 0 EEABRN COc1cccc(C[C@@H](NC(=O)N2CCC[C@H](CO)C2)C2CC2)c1 ZINC000096485176 463283577 /nfs/dbraw/zinc/28/35/77/463283577.db2.gz SFHWCNJCBABXJZ-MAUKXSAKSA-N 0 0 332.444 2.430 40 0 EEABRN CC[C@@H](CSC)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000096491504 463286536 /nfs/dbraw/zinc/28/65/36/463286536.db2.gz ZGBVNYBHRJWEMW-QMMMGPOBSA-N 0 0 348.266 2.411 40 0 EEABRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2ccncc2C(N)=O)CC1 ZINC000096503060 463293044 /nfs/dbraw/zinc/29/30/44/463293044.db2.gz SGUJQGBAKTYATQ-LBPRGKRZSA-N 0 0 346.381 2.342 40 0 EEABRN NC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@@H]1S(=O)(=O)c1ccccc1 ZINC000096865409 463300501 /nfs/dbraw/zinc/30/05/01/463300501.db2.gz SLAXPQTVSBFEQX-KGLIPLIRSA-N 0 0 336.800 2.134 40 0 EEABRN O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000097104057 463325311 /nfs/dbraw/zinc/32/53/11/463325311.db2.gz ZZIXUGYVBDVUTG-CQSZACIVSA-N 0 0 328.416 2.354 40 0 EEABRN CCO[C@H]1CCCN(C(=O)COc2cncc(Br)c2)C1 ZINC000097237623 463352541 /nfs/dbraw/zinc/35/25/41/463352541.db2.gz SDCNBIRTFCQPLC-LBPRGKRZSA-N 0 0 343.221 2.250 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1OC ZINC000032379361 463374332 /nfs/dbraw/zinc/37/43/32/463374332.db2.gz LSRYUAUZFCISJI-UHFFFAOYSA-N 0 0 348.443 2.471 40 0 EEABRN CCCOC(=O)c1cc(N)c(Sc2nnc(C)n2N)c(Cl)c1 ZINC000070462551 463376298 /nfs/dbraw/zinc/37/62/98/463376298.db2.gz QSOAFRIMESXULL-UHFFFAOYSA-N 0 0 341.824 2.254 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000081294471 463415230 /nfs/dbraw/zinc/41/52/30/463415230.db2.gz UXDDDZIAPFXGBD-WWGRRREGSA-N 0 0 336.457 2.343 40 0 EEABRN COc1ccc(C[C@@]2(c3cccc(Cl)c3)NC(N)=NC2=O)cc1 ZINC000071974761 463478700 /nfs/dbraw/zinc/47/87/00/463478700.db2.gz QBUCZNQDHDUFGT-KRWDZBQOSA-N 0 0 329.787 2.231 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000081701881 463481436 /nfs/dbraw/zinc/48/14/36/463481436.db2.gz GJBOKPLDPOCCBM-QZTJIDSGSA-N 0 0 337.354 2.400 40 0 EEABRN COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072227139 463484516 /nfs/dbraw/zinc/48/45/16/463484516.db2.gz GXLCOFDTXAQTAB-IRXDYDNUSA-N 0 0 328.368 2.128 40 0 EEABRN O=C(CNC(=O)c1cccs1)Nc1ncccc1Br ZINC000081764257 463489316 /nfs/dbraw/zinc/48/93/16/463489316.db2.gz DFVXAJBSZVIUOA-UHFFFAOYSA-N 0 0 340.202 2.274 40 0 EEABRN Cc1cc(C)n(CCNc2ncnc3c2cnn3-c2ccccn2)n1 ZINC000041529560 463493950 /nfs/dbraw/zinc/49/39/50/463493950.db2.gz OPOYWAXEWINVEK-UHFFFAOYSA-N 0 0 334.387 2.136 40 0 EEABRN C[C@@H]1SCCN(Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199071 463540168 /nfs/dbraw/zinc/54/01/68/463540168.db2.gz IHDVKLHDXWFRFI-WFASDCNBSA-N 0 0 344.488 2.198 40 0 EEABRN O=C(COc1ccccc1)N1CCCN(c2ncccc2F)CC1 ZINC000084484751 463606134 /nfs/dbraw/zinc/60/61/34/463606134.db2.gz YXSXVRQEPLWJSR-UHFFFAOYSA-N 0 0 329.375 2.338 40 0 EEABRN CCO[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000060066213 463648660 /nfs/dbraw/zinc/64/86/60/463648660.db2.gz NXHPTKYINYXLMW-ZDUSSCGKSA-N 0 0 341.429 2.038 40 0 EEABRN O=C(NCc1ccccc1)NCC1CCN(c2ncccn2)CC1 ZINC000043977757 463663889 /nfs/dbraw/zinc/66/38/89/463663889.db2.gz SICOBVASZQZUIK-UHFFFAOYSA-N 0 0 325.416 2.192 40 0 EEABRN O=C(Cc1cccnc1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257234187 463758270 /nfs/dbraw/zinc/75/82/70/463758270.db2.gz GSMWNJCTMFSHKB-OAHLLOKOSA-N 0 0 337.383 2.126 40 0 EEABRN CN(C(=O)COc1ccccc1Cl)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257307207 463771937 /nfs/dbraw/zinc/77/19/37/463771937.db2.gz SXQSQFPQQUJCLJ-CKEIUWERSA-N 0 0 349.818 2.138 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)n1 ZINC000257325316 463778215 /nfs/dbraw/zinc/77/82/15/463778215.db2.gz WSKSKHPJIJBXPN-MRXNPFEDSA-N 0 0 329.448 2.485 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC(Nc3cc(C)ncn3)C2)C1 ZINC000257326057 463779341 /nfs/dbraw/zinc/77/93/41/463779341.db2.gz WVPAGNPTKNESOB-UHFFFAOYSA-N 0 0 341.415 2.497 40 0 EEABRN CCc1noc(CCC(=O)N2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000257326234 463779976 /nfs/dbraw/zinc/77/99/76/463779976.db2.gz WWKHTGPSPSBLRT-HNNXBMFYSA-N 0 0 328.416 2.080 40 0 EEABRN CCCn1cc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 ZINC000257341772 463786130 /nfs/dbraw/zinc/78/61/30/463786130.db2.gz ZLXOQVUZXRFJDN-KRWDZBQOSA-N 0 0 329.448 2.328 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2nccc(C)n2)C1 ZINC000257341281 463786428 /nfs/dbraw/zinc/78/64/28/463786428.db2.gz ZJQYZSCBHQYURE-KRWDZBQOSA-N 0 0 341.411 2.245 40 0 EEABRN O=C(CN1CCCC1=O)Nc1cc2c(cc1Br)CCC2 ZINC000195209763 464017302 /nfs/dbraw/zinc/01/73/02/464017302.db2.gz CRRTZDVWTRDYIF-UHFFFAOYSA-N 0 0 337.217 2.499 40 0 EEABRN C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000195540366 464073531 /nfs/dbraw/zinc/07/35/31/464073531.db2.gz HVTNJQMUGPUVKW-YOEHRIQHSA-N 0 0 342.447 2.130 40 0 EEABRN C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)N1CCOC[C@@H]1C ZINC000195556936 464076272 /nfs/dbraw/zinc/07/62/72/464076272.db2.gz VIAOUGNOWVTHMG-OLZOCXBDSA-N 0 0 340.851 2.204 40 0 EEABRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000195563112 464077070 /nfs/dbraw/zinc/07/70/70/464077070.db2.gz YVDAFHKUYLQJIN-MSOLQXFVSA-N 0 0 341.455 2.491 40 0 EEABRN COc1ccc(CCCN2CCS(=O)(=O)C(C)(C)C2)cc1F ZINC000195573019 464079229 /nfs/dbraw/zinc/07/92/29/464079229.db2.gz YFINUCGSWYHPEP-UHFFFAOYSA-N 0 0 329.437 2.276 40 0 EEABRN COc1cccc(NC(=O)NCc2ccnc(N3CCCC3)n2)c1 ZINC000224200188 464150099 /nfs/dbraw/zinc/15/00/99/464150099.db2.gz FRKUMAHLLSATOV-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000224265877 464150217 /nfs/dbraw/zinc/15/02/17/464150217.db2.gz KCBJLBXPUBNVRX-UHFFFAOYSA-N 0 0 330.367 2.012 40 0 EEABRN COc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 ZINC000225433282 464159529 /nfs/dbraw/zinc/15/95/29/464159529.db2.gz SUINAXFDPPVSMQ-CYBMUJFWSA-N 0 0 338.367 2.260 40 0 EEABRN CCOC(=O)c1cc(OC)c(F)cc1NC(=O)Cc1cnn(CC)c1 ZINC000225461886 464162540 /nfs/dbraw/zinc/16/25/40/464162540.db2.gz UXMBQFSHQNRCRZ-UHFFFAOYSA-N 0 0 349.362 2.409 40 0 EEABRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1c(F)cccc1Cl ZINC000225535728 464169689 /nfs/dbraw/zinc/16/96/89/464169689.db2.gz SWGZGNAYROXNRD-MXWKQRLJSA-N 0 0 330.787 2.331 40 0 EEABRN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000179862503 464201097 /nfs/dbraw/zinc/20/10/97/464201097.db2.gz DYPGDWXFAOHLIK-QWHCGFSZSA-N 0 0 339.461 2.388 40 0 EEABRN CC(C)(C)C1=CCN(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000270351652 464251986 /nfs/dbraw/zinc/25/19/86/464251986.db2.gz HVZCVHCUZLLSIS-UHFFFAOYSA-N 0 0 330.432 2.199 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000173507053 464273543 /nfs/dbraw/zinc/27/35/43/464273543.db2.gz AVYMRWDJSZUYFF-IUODEOHRSA-N 0 0 344.463 2.280 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000238862703 464439268 /nfs/dbraw/zinc/43/92/68/464439268.db2.gz LAQGGMDRBIQGJG-NEPJUHHUSA-N 0 0 348.428 2.476 40 0 EEABRN O=C(Nc1ccc2[nH]cnc2c1)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000239882107 464445829 /nfs/dbraw/zinc/44/58/29/464445829.db2.gz DAHARLXQSZZIIW-HZPDHXFCSA-N 0 0 342.399 2.062 40 0 EEABRN Cc1cc(NC(=O)COCc2ccnn2C)n(-c2ccccc2C)n1 ZINC000240757034 464447655 /nfs/dbraw/zinc/44/76/55/464447655.db2.gz HVXROGRUWQKHJY-UHFFFAOYSA-N 0 0 339.399 2.378 40 0 EEABRN CCS(=O)(=O)c1ccc(N2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000241447106 464453309 /nfs/dbraw/zinc/45/33/09/464453309.db2.gz NRFLGBSAFYPLIE-WMLDXEAASA-N 0 0 339.457 2.255 40 0 EEABRN O=C(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1 ZINC000247505654 464688244 /nfs/dbraw/zinc/68/82/44/464688244.db2.gz RJJJTMDIQPTZQC-SFHVURJKSA-N 0 0 336.395 2.463 40 0 EEABRN O=C(C[C@@H]1CN(CC2CCC2)Cc2ccnn21)NCc1ccco1 ZINC000247845489 464709321 /nfs/dbraw/zinc/70/93/21/464709321.db2.gz GYEUGMQEEKOPDJ-MRXNPFEDSA-N 0 0 328.416 2.339 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@H]1CC[C@H]2CNc1cccnc1 ZINC000247848115 464709502 /nfs/dbraw/zinc/70/95/02/464709502.db2.gz HRVCELLBBIIOFZ-BMGDILEWSA-N 0 0 338.411 2.208 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247891184 464713512 /nfs/dbraw/zinc/71/35/12/464713512.db2.gz YPVSVDQCDRJQLK-NSHDSACASA-N 0 0 333.438 2.317 40 0 EEABRN CCn1cc(NC(=O)CN2CCN(C)C[C@H]2c2ccccc2)c(C)n1 ZINC000248029379 464724444 /nfs/dbraw/zinc/72/44/44/464724444.db2.gz KPHIPSQNYCETPQ-SFHVURJKSA-N 0 0 341.459 2.139 40 0 EEABRN Cn1cncc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248036694 464725337 /nfs/dbraw/zinc/72/53/37/464725337.db2.gz MXKPMVVSWDMMLY-YSVLISHTSA-N 0 0 348.472 2.073 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1cccs1)C2 ZINC000248077486 464728029 /nfs/dbraw/zinc/72/80/29/464728029.db2.gz ZSONWOQTTXXYAB-OAHLLOKOSA-N 0 0 344.484 2.497 40 0 EEABRN O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc(O)c(Cl)c1 ZINC000182864709 464745302 /nfs/dbraw/zinc/74/53/02/464745302.db2.gz JITJMXGMOSIVOR-UHFFFAOYSA-N 0 0 346.836 2.190 40 0 EEABRN CO[C@H]1CC[C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191424491 464815090 /nfs/dbraw/zinc/81/50/90/464815090.db2.gz WKKRTPYYEFIKNL-CVEARBPZSA-N 0 0 332.448 2.226 40 0 EEABRN O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cccc(F)c1 ZINC000252480202 464960880 /nfs/dbraw/zinc/96/08/80/464960880.db2.gz BXWYNRUOKIHOLF-UHFFFAOYSA-N 0 0 332.354 2.401 40 0 EEABRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCOC1 ZINC000252501499 464972436 /nfs/dbraw/zinc/97/24/36/464972436.db2.gz UGOGXKSSTBYYNS-ZWNOBZJWSA-N 0 0 325.206 2.448 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000252501495 464972669 /nfs/dbraw/zinc/97/26/69/464972669.db2.gz UGLIRVZBGVKOKQ-SFHVURJKSA-N 0 0 344.459 2.229 40 0 EEABRN C[C@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@H](C)O1 ZINC000192666999 464972743 /nfs/dbraw/zinc/97/27/43/464972743.db2.gz ITFWMVJMBQYCKH-UWVGGRQHSA-N 0 0 349.328 2.325 40 0 EEABRN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(C2CC2)no1 ZINC000252507701 464973402 /nfs/dbraw/zinc/97/34/02/464973402.db2.gz WRXDUTTWPWNJSJ-NSHDSACASA-N 0 0 336.338 2.411 40 0 EEABRN CCOCC[C@@H]1CCOC12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000253383316 464996080 /nfs/dbraw/zinc/99/60/80/464996080.db2.gz LDLBJSKIFHHKHL-CQSZACIVSA-N 0 0 333.384 2.073 40 0 EEABRN Cc1csc(C(=O)NCc2nnc3ccc(N4CCCC4)nn32)c1 ZINC000253400922 465001499 /nfs/dbraw/zinc/00/14/99/465001499.db2.gz MEZBXJMOZPGXPG-UHFFFAOYSA-N 0 0 342.428 2.024 40 0 EEABRN Cc1cc(C(=O)CCC(=O)N2CCO[C@H](c3ncon3)C2)c(C)s1 ZINC000253427206 465011526 /nfs/dbraw/zinc/01/15/26/465011526.db2.gz DOUADOMDENRFHI-AWEZNQCLSA-N 0 0 349.412 2.311 40 0 EEABRN CSc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 ZINC000253431049 465013492 /nfs/dbraw/zinc/01/34/92/465013492.db2.gz GHZPYTPSTFFYHS-MRXNPFEDSA-N 0 0 332.469 2.468 40 0 EEABRN O=C(C1CC1)N1CCN(c2nccn3c(-c4ccccc4)cnc23)CC1 ZINC000306124507 466486854 /nfs/dbraw/zinc/48/68/54/466486854.db2.gz BSADWKAMYFMNBR-UHFFFAOYSA-N 0 0 347.422 2.455 40 0 EEABRN Cn1cc(CN2Cc3cccn3[C@@H](COCc3ccccn3)C2)cn1 ZINC000306131602 466491572 /nfs/dbraw/zinc/49/15/72/466491572.db2.gz KJRFPZOVICIZEA-LJQANCHMSA-N 0 0 337.427 2.390 40 0 EEABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000408584411 466681175 /nfs/dbraw/zinc/68/11/75/466681175.db2.gz PLJCEDWINFSRKX-UHFFFAOYSA-N 0 0 327.450 2.398 40 0 EEABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408597932 466682321 /nfs/dbraw/zinc/68/23/21/466682321.db2.gz WQAVCHLITZYCSB-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN CC(C)COC(=O)N[C@@H](C)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000409000301 466684671 /nfs/dbraw/zinc/68/46/71/466684671.db2.gz UYYHDUIWSQBPDD-NSHDSACASA-N 0 0 325.336 2.322 40 0 EEABRN COC(=O)c1ncccc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000450961752 467216286 /nfs/dbraw/zinc/21/62/86/467216286.db2.gz AYFKALUJDQEJOB-CQSZACIVSA-N 0 0 346.408 2.224 40 0 EEABRN Cn1c(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)nnc1C1CC1 ZINC000408112310 467511609 /nfs/dbraw/zinc/51/16/09/467511609.db2.gz LWLFZRWSZAUSAY-UHFFFAOYSA-N 0 0 333.480 2.161 40 0 EEABRN CCCCCC(=O)N1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514290232 467941966 /nfs/dbraw/zinc/94/19/66/467941966.db2.gz WEGJXILTZBFCHC-ZBFHGGJFSA-N 0 0 334.391 2.450 40 0 biogenic,in-vitro EEABRN Cc1cnccc1OC1CCN(Cc2ccnc(N(C)C)n2)CC1 ZINC000514838375 467957115 /nfs/dbraw/zinc/95/71/15/467957115.db2.gz RFCJBIWAHHOXJD-UHFFFAOYSA-N 0 0 327.432 2.289 40 0 EEABRN CC(C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC1CC1)CO2 ZINC000575405859 468142522 /nfs/dbraw/zinc/14/25/22/468142522.db2.gz KGHOSLQCXOWANX-INIZCTEOSA-N 0 0 336.476 2.347 40 0 EEABRN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2ccncn2)C1 ZINC000575605007 468146067 /nfs/dbraw/zinc/14/60/67/468146067.db2.gz FRKLUMVENKWUNW-LLVKDONJSA-N 0 0 338.289 2.184 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](Oc2cc(C)nc(C)n2)C1 ZINC000575606536 468146727 /nfs/dbraw/zinc/14/67/27/468146727.db2.gz WOFURTHFSAXHRS-OAHLLOKOSA-N 0 0 343.431 2.127 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093098 468962750 /nfs/dbraw/zinc/96/27/50/468962750.db2.gz BVKSCOXGFDFMRK-QGZVFWFLSA-N 0 0 345.349 2.222 40 0 EEABRN COc1cccc(C(=O)N2C[C@]3(CCN(C)C3=O)CC(F)(F)C2)c1 ZINC000585093375 468963570 /nfs/dbraw/zinc/96/35/70/468963570.db2.gz SEVNFSMPIJUUKU-INIZCTEOSA-N 0 0 338.354 2.025 40 0 EEABRN Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC000585098406 468967308 /nfs/dbraw/zinc/96/73/08/468967308.db2.gz XQOZVRBKUUHHAR-AWEZNQCLSA-N 0 0 325.368 2.345 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000585100913 468969406 /nfs/dbraw/zinc/96/94/06/468969406.db2.gz FWCVUBIVDQJWRR-WTNGLUPJSA-N 0 0 331.391 2.175 40 0 EEABRN Cc1ccccc1C(=O)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000585101622 468969417 /nfs/dbraw/zinc/96/94/17/468969417.db2.gz YAWLSOBZYVOVRF-IBGZPJMESA-N 0 0 336.395 2.054 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)s1 ZINC000585110928 468975142 /nfs/dbraw/zinc/97/51/42/468975142.db2.gz ZWUAHZSFQVPCFA-AWEZNQCLSA-N 0 0 330.457 2.122 40 0 EEABRN O=C(NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585111495 468975478 /nfs/dbraw/zinc/97/54/78/468975478.db2.gz BUCHXPAMJAYXCP-MRXNPFEDSA-N 0 0 345.472 2.307 40 0 EEABRN O=C(Nc1ccc(F)cc1N1CCOCC1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000585123681 468981028 /nfs/dbraw/zinc/98/10/28/468981028.db2.gz OMKOPPOSIPCIPF-JCURWCKSSA-N 0 0 349.406 2.039 40 0 EEABRN CCc1nnc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)CO)s1 ZINC000585140840 468989851 /nfs/dbraw/zinc/98/98/51/468989851.db2.gz LLGQZYCKGGTWSW-ZDUSSCGKSA-N 0 0 334.445 2.982 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)c1C ZINC000585275860 469000394 /nfs/dbraw/zinc/00/03/94/469000394.db2.gz HSUHEUQJUJFIHV-IBGZPJMESA-N 0 0 343.427 2.245 40 0 EEABRN Cc1cc(C)nc(N2CCO[C@@](CO)(Cc3ccccc3F)C2)n1 ZINC000585276609 469000408 /nfs/dbraw/zinc/00/04/08/469000408.db2.gz QGJIANBWLOVAAM-SFHVURJKSA-N 0 0 331.391 2.043 40 0 EEABRN O=C(c1ccccc1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276182 469000530 /nfs/dbraw/zinc/00/05/30/469000530.db2.gz MTCWBCFQWBVSRR-IBGZPJMESA-N 0 0 329.371 2.272 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585275740 469000682 /nfs/dbraw/zinc/00/06/82/469000682.db2.gz DUYXUCUZRMZLNB-IBGZPJMESA-N 0 0 343.427 2.347 40 0 EEABRN O=C(c1n[nH]cc1Cl)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585278268 469003618 /nfs/dbraw/zinc/00/36/18/469003618.db2.gz AWQKROFAOOKTHM-RISCZKNCSA-N 0 0 337.782 2.268 40 0 EEABRN Cc1cccc(C[C@]2(CO)CN(C(=O)c3ccncc3C)CCO2)c1 ZINC000585278354 469003830 /nfs/dbraw/zinc/00/38/30/469003830.db2.gz SHQOOKHSKQFMJZ-HXUWFJFHSA-N 0 0 340.423 2.145 40 0 EEABRN Cc1cnn(CCC(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000585278840 469004076 /nfs/dbraw/zinc/00/40/76/469004076.db2.gz HKPHNMKAZKEIHT-QZTJIDSGSA-N 0 0 327.428 2.034 40 0 EEABRN COc1ncc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)cn1 ZINC000585279857 469006447 /nfs/dbraw/zinc/00/64/47/469006447.db2.gz QYTUGXOMMROBJS-NVXWUHKLSA-N 0 0 331.391 2.050 40 0 EEABRN O=C(CCCn1cccn1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280047 469006463 /nfs/dbraw/zinc/00/64/63/469006463.db2.gz XAHZBZREKYZVJX-MSOLQXFVSA-N 0 0 327.428 2.115 40 0 EEABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000585290872 469010740 /nfs/dbraw/zinc/01/07/40/469010740.db2.gz WZBJURBMAGNWBH-MYQPPDNISA-N 0 0 339.439 2.336 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000608223708 469787933 /nfs/dbraw/zinc/78/79/33/469787933.db2.gz HWXCFDYHMSAJJE-OAGGEKHMSA-N 0 0 339.395 2.178 40 0 EEABRN CCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000243183465 485536150 /nfs/dbraw/zinc/53/61/50/485536150.db2.gz JXNJLDIQUWXZHG-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN CC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000604383304 485648801 /nfs/dbraw/zinc/64/88/01/485648801.db2.gz TXLUNYBUGYKCEL-CMKODMSKSA-N 0 0 344.455 2.406 40 0 biogenic,in-vitro EEABRN Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2C2CC2)on1 ZINC000072340345 490582231 /nfs/dbraw/zinc/58/22/31/490582231.db2.gz IWWDQHKLCLVCQV-UHFFFAOYSA-N 0 0 327.388 2.019 40 0 EEABRN COC(=O)[C@]12N=NN(c3ccccc3)[C@@]1(C(=O)OC)[C@H]1CC[C@@H]2C1 ZINC000005160200 500796842 /nfs/dbraw/zinc/79/68/42/500796842.db2.gz RYEXOAVTRFBHAK-FCLUMBPUSA-N 0 0 329.356 2.127 40 0 EEABRN COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000113936013 534171782 /nfs/dbraw/zinc/17/17/82/534171782.db2.gz MPHHBNMXHMZALJ-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)N(Cc1cccs1)C1CC1 ZINC000096461475 534510455 /nfs/dbraw/zinc/51/04/55/534510455.db2.gz GVXVETMGJQYAIR-UHFFFAOYSA-N 0 0 331.445 2.203 40 0 EEABRN CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(C(=O)c2cc(C)cs2)C1 ZINC000257297192 536438910 /nfs/dbraw/zinc/43/89/10/536438910.db2.gz RGGOOVMPFZFQMZ-QGZVFWFLSA-N 0 0 346.456 2.333 40 0 EEABRN Cc1noc(C)c1CC(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000244986197 526483365 /nfs/dbraw/zinc/48/33/65/526483365.db2.gz JJULBNZOGSXXCX-HDJSIYSDSA-N 0 0 348.378 2.269 40 0 EEABRN CC(C)(OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)C(=O)c1ccccc1 ZINC000408649724 527368188 /nfs/dbraw/zinc/36/81/88/527368188.db2.gz ABQNPAHKPFEYGJ-KHMAMNHCSA-N 0 0 328.364 2.389 40 0 EEABRN CCCc1nn2c(ncc(NC(=O)c3ccc(OC)cc3)c2=O)s1 ZINC000408609738 528769443 /nfs/dbraw/zinc/76/94/43/528769443.db2.gz RVKFMAPQDOFYKT-UHFFFAOYSA-N 0 0 344.396 2.364 40 0 EEABRN CCO[C@@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@@H](C)C1 ZINC000225713742 535545070 /nfs/dbraw/zinc/54/50/70/535545070.db2.gz IFCWUIQSWDEXKU-ACJLOTCBSA-N 0 0 334.416 2.475 40 0 EEABRN CN(C(=O)Cc1ccsc1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257331908 536008662 /nfs/dbraw/zinc/00/86/62/536008662.db2.gz XUUCBNQQUWAVFA-BFYDXBDKSA-N 0 0 332.425 2.115 40 0 EEABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(CC)CC ZINC000225737788 536046693 /nfs/dbraw/zinc/04/66/93/536046693.db2.gz GLEPAWPRGBNUPH-HNNXBMFYSA-N 0 0 342.461 2.108 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257287857 536868023 /nfs/dbraw/zinc/86/80/23/536868023.db2.gz PRTKTWJYZLUXHN-ZDUSSCGKSA-N 0 0 335.429 2.295 40 0 EEABRN COCCNC(=O)c1cn2c(n1)[C@@H](C)N(Cc1sccc1C)CC2 ZINC000253599496 536891046 /nfs/dbraw/zinc/89/10/46/536891046.db2.gz QQEMGVWRRDBTDO-CYBMUJFWSA-N 0 0 348.472 2.206 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@H](c3ccnc(C)n3)C2)c1 ZINC000257232910 537135917 /nfs/dbraw/zinc/13/59/17/537135917.db2.gz GMYJEPWXKGSRBN-AWEZNQCLSA-N 0 0 347.440 2.362 40 0 EEABRN CC(C)c1nccc(NCCN2Cc3ccccc3OCC2=O)n1 ZINC000895450205 684604420 /nfs/dbraw/zinc/60/44/20/684604420.db2.gz CRWNLGMHDBWAQE-UHFFFAOYSA-N 0 0 326.400 2.433 40 0 EEABRN Cc1nn(CCC(=O)Nc2nccc(C)n2)c(C)c1Br ZINC000027969295 1352373712 /nfs/dbraw/zinc/37/37/12/1352373712.db2.gz XPMWYLURTGZFLX-UHFFFAOYSA-N 0 0 338.209 2.390 40 0 EEABRN Cc1nc([C@@H]2CCN(C(=O)Nc3cc(C4CCC4)nn3C)C2)no1 ZINC001548453629 1124296008 /nfs/dbraw/zinc/29/60/08/1124296008.db2.gz JTIGTULVLLKRDA-GFCCVEGCSA-N 0 0 330.392 2.400 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2cccs2)c(OC)c1OC ZINC000056105262 214358783 /nfs/dbraw/zinc/35/87/83/214358783.db2.gz ASGCLJBRIBLQGG-UHFFFAOYSA-N 0 0 343.426 2.252 40 0 EEABRN Cc1nn(C)c2cnn(CCCNC(=O)[C@H]3C[C@H]3c3ccccc3)c12 ZINC000057279076 214415221 /nfs/dbraw/zinc/41/52/21/214415221.db2.gz UJHMQNSMTRXPRK-HOTGVXAUSA-N 0 0 337.427 2.388 40 0 EEABRN CCc1cnc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)o1 ZINC000095414826 529654545 /nfs/dbraw/zinc/65/45/45/529654545.db2.gz WJBPLQDANHRFLU-ZDUSSCGKSA-N 0 0 329.400 2.446 40 0 EEABRN COc1ccc(S[C@H](C)C(=O)NCCCN2CCOCC2)cc1 ZINC000048190263 213893943 /nfs/dbraw/zinc/89/39/43/213893943.db2.gz OQLDGYYCPXWWLI-CQSZACIVSA-N 0 0 338.473 2.014 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2OC)C1 ZINC000044868126 213652678 /nfs/dbraw/zinc/65/26/78/213652678.db2.gz MEXSQVIHXUKNBV-OAHLLOKOSA-N 0 0 349.427 2.438 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000042467279 213506333 /nfs/dbraw/zinc/50/63/33/213506333.db2.gz DKPFULZJBDQVAM-ZDUSSCGKSA-N 0 0 330.384 2.045 40 0 EEABRN OCc1cc(CC2(NCc3ccc(C(F)(F)F)cc3)COC2)no1 ZINC000067898080 215245009 /nfs/dbraw/zinc/24/50/09/215245009.db2.gz RQGLMLQGXGOUCW-UHFFFAOYSA-N 0 0 342.317 2.287 40 0 biogenic,in-vitro EEABRN C[C@H](c1ccccn1)N(C)S(=O)(=O)c1cccc2nsnc21 ZINC000068347365 215300841 /nfs/dbraw/zinc/30/08/41/215300841.db2.gz ZXMBDSOKSRVJPF-SNVBAGLBSA-N 0 0 334.426 2.468 40 0 EEABRN COC(=O)C1=C(C(=O)OC)[C@@H]2CC[C@H]1[C@H]1N=NN(c3ccccc3)[C@@H]12 ZINC000104132860 219349255 /nfs/dbraw/zinc/34/92/55/219349255.db2.gz UTYXLIXJBMPAFQ-NOXHYTERSA-N 0 0 341.367 2.293 40 0 EEABRN O=C(CC1CCOCC1)N[C@H](CO)c1cccc(Br)c1 ZINC000181122105 234091535 /nfs/dbraw/zinc/09/15/35/234091535.db2.gz CEGZOCBLTDQYFO-CQSZACIVSA-N 0 0 342.233 2.415 40 0 EEABRN COc1ccc(C(=O)C2CCN(C(=O)Cc3ccn(C)n3)CC2)cc1 ZINC000181562805 234233163 /nfs/dbraw/zinc/23/31/63/234233163.db2.gz ONHYLDWRAHSCTI-UHFFFAOYSA-N 0 0 341.411 2.093 40 0 EEABRN O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000040386562 213296010 /nfs/dbraw/zinc/29/60/10/213296010.db2.gz HMIZLKKPTWPIFF-ZETCQYMHSA-N 0 0 340.170 2.182 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCOC1 ZINC000096408175 295880156 /nfs/dbraw/zinc/88/01/56/295880156.db2.gz LUXDIXOOMWLCFI-OLZOCXBDSA-N 0 0 340.370 2.410 40 0 EEABRN Cc1cccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000036775583 213118158 /nfs/dbraw/zinc/11/81/58/213118158.db2.gz DAZCAPVEIRASTG-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C)cc1 ZINC000071980284 283321546 /nfs/dbraw/zinc/32/15/46/283321546.db2.gz UEVDEAAUGXJWRE-INIZCTEOSA-N 0 0 346.427 2.123 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1 ZINC000000414973 209577500 /nfs/dbraw/zinc/57/75/00/209577500.db2.gz RLCJHICGDLZWML-CQSZACIVSA-N 0 0 338.473 2.310 40 0 EEABRN O=C(c1cccnc1)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000072326865 216152151 /nfs/dbraw/zinc/15/21/51/216152151.db2.gz KAUIPRNPZYGLJX-IIMJZQEZSA-N 0 0 348.406 2.115 40 0 EEABRN Cc1cc(C(=O)N2C[C@H]3[C@H](CC[C@]3(O)c3ccc(F)cc3)C2)on1 ZINC000072339751 216157773 /nfs/dbraw/zinc/15/77/73/216157773.db2.gz MZEZTODEKXDENH-MRAWALMUSA-N 0 0 330.359 2.492 40 0 EEABRN COCC(=O)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 ZINC000072368140 216174313 /nfs/dbraw/zinc/17/43/13/216174313.db2.gz ROWVNRHORFCMPE-UHFFFAOYSA-N 0 0 342.321 2.101 40 0 EEABRN c1cnc(N2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)nc1 ZINC000072368935 216175951 /nfs/dbraw/zinc/17/59/51/216175951.db2.gz BHEJXGBDPIAKOO-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)n1 ZINC000072369195 216176209 /nfs/dbraw/zinc/17/62/09/216176209.db2.gz BBGISXUPXSDKTR-OAHLLOKOSA-N 0 0 335.415 2.453 40 0 EEABRN c1c[nH]c(CN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)n1 ZINC000072378057 216178888 /nfs/dbraw/zinc/17/88/88/216178888.db2.gz IGFZVQHRUZDPID-AWEZNQCLSA-N 0 0 336.403 2.461 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377780 216179632 /nfs/dbraw/zinc/17/96/32/216179632.db2.gz VWYYWTZXRMUXJQ-HNNXBMFYSA-N 0 0 347.382 2.383 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@@H](Cc2cnccn2)C1 ZINC000072388278 216187610 /nfs/dbraw/zinc/18/76/10/216187610.db2.gz DOHCQXPXFUPSIH-KRWDZBQOSA-N 0 0 325.412 2.127 40 0 EEABRN O=C(CNC(=O)N(Cc1c(F)cccc1F)C1CC1)N1CCCC1 ZINC000190740262 238705620 /nfs/dbraw/zinc/70/56/20/238705620.db2.gz WHOGKBZUQVKVDR-UHFFFAOYSA-N 0 0 337.370 2.261 40 0 EEABRN O=C1[C@H](N2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000072957341 216332283 /nfs/dbraw/zinc/33/22/83/216332283.db2.gz QAVKHNWBDYBJOQ-CQSZACIVSA-N 0 0 344.333 2.147 40 0 EEABRN CCOC(=O)[C@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000193867839 240342288 /nfs/dbraw/zinc/34/22/88/240342288.db2.gz ADTKQSYURPJZAX-OAHLLOKOSA-N 0 0 335.791 2.037 40 0 EEABRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)CC3 ZINC000195574573 241022476 /nfs/dbraw/zinc/02/24/76/241022476.db2.gz IRIQDWQNWXPFLP-VFVRVIDISA-N 0 0 348.468 2.430 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000223216132 241617011 /nfs/dbraw/zinc/61/70/11/241617011.db2.gz NIPGTJRSIFAJKI-UHFFFAOYSA-N 0 0 327.428 2.474 40 0 EEABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnc(C)nc3C)c2)n1 ZINC000226095604 242090328 /nfs/dbraw/zinc/09/03/28/242090328.db2.gz GLOSNYLMXYGLRF-UHFFFAOYSA-N 0 0 335.367 2.404 40 0 EEABRN CC1(C)[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000230096668 242231912 /nfs/dbraw/zinc/23/19/12/242231912.db2.gz JTBNNJNEAGAFGO-HBNTYKKESA-N 0 0 332.326 2.380 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739160 243000565 /nfs/dbraw/zinc/00/05/65/243000565.db2.gz RANALQKAYCCWGF-DLBZAZTESA-N 0 0 349.500 2.283 40 0 EEABRN C[C@@H]1CN(C(=O)c2cccs2)CC[C@]12CC[C@@H](C(=O)N(C)C)O2 ZINC000247973525 243496258 /nfs/dbraw/zinc/49/62/58/243496258.db2.gz HZULIKVJSQDJJT-IIYDPXPESA-N 0 0 336.457 2.236 40 0 EEABRN COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000247832757 243462381 /nfs/dbraw/zinc/46/23/81/243462381.db2.gz HYSLMOZELVABSF-LBPRGKRZSA-N 0 0 347.839 2.115 40 0 EEABRN O=C(CCNC(=O)c1ccoc1Br)Nc1cccnc1 ZINC000252498509 243818301 /nfs/dbraw/zinc/81/83/01/243818301.db2.gz RDOSQSLRYHXLEM-UHFFFAOYSA-N 0 0 338.161 2.196 40 0 EEABRN C[C@@H](CC(N)=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000252502177 243824409 /nfs/dbraw/zinc/82/44/09/243824409.db2.gz UNDHFUORRMHINF-VIFPVBQESA-N 0 0 345.212 2.149 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1 ZINC000253416159 243935629 /nfs/dbraw/zinc/93/56/29/243935629.db2.gz DMSYOCBCEIBFNQ-ZDUSSCGKSA-N 0 0 348.790 2.315 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000253419084 243948445 /nfs/dbraw/zinc/94/84/45/243948445.db2.gz FPRYFCRTKLXUGW-LLVKDONJSA-N 0 0 329.356 2.283 40 0 EEABRN c1cncc(CN2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)c1 ZINC000253602911 244034384 /nfs/dbraw/zinc/03/43/84/244034384.db2.gz TVHRPOJLFSJRKX-MRXNPFEDSA-N 0 0 340.427 2.322 40 0 EEABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(N)=O)s2)cn1 ZINC000257202541 244123583 /nfs/dbraw/zinc/12/35/83/244123583.db2.gz AMGZCKSGYISXAY-LBPRGKRZSA-N 0 0 330.413 2.313 40 0 EEABRN CC(=O)N1CCC(Cc2cncc(-c3c(C)nn(C)c3C)n2)CC1 ZINC000257204724 244129225 /nfs/dbraw/zinc/12/92/25/244129225.db2.gz AWAGFOYVYUVIKZ-UHFFFAOYSA-N 0 0 327.432 2.295 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257222156 244188715 /nfs/dbraw/zinc/18/87/15/244188715.db2.gz DSDXPHAGFBRDJB-CQSZACIVSA-N 0 0 327.384 2.129 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)C(C)C)C2)nc1C ZINC000257224851 244196858 /nfs/dbraw/zinc/19/68/58/244196858.db2.gz FDRMFQMGKSETEY-OAHLLOKOSA-N 0 0 346.475 2.134 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257221474 244184773 /nfs/dbraw/zinc/18/47/73/244184773.db2.gz DPEGGRNXGRDZNY-HNNXBMFYSA-N 0 0 336.399 2.319 40 0 EEABRN O=C(Nc1cc(N2CCOCC2)ncn1)c1c(F)cccc1Cl ZINC000077196902 216854667 /nfs/dbraw/zinc/85/46/67/216854667.db2.gz BNAVNQUYKLXQSS-UHFFFAOYSA-N 0 0 336.754 2.358 40 0 EEABRN Cc1ccccc1S(=O)(=O)NCc1ccnc([C@H]2CCCO2)n1 ZINC000257241002 244240387 /nfs/dbraw/zinc/24/03/87/244240387.db2.gz HWFFEDYJMYIYFV-CQSZACIVSA-N 0 0 333.413 2.115 40 0 EEABRN CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2c(C)noc2C)ccn1 ZINC000257250904 244269020 /nfs/dbraw/zinc/26/90/20/244269020.db2.gz JOMZUZXHIFTAJV-MRXNPFEDSA-N 0 0 342.399 2.300 40 0 EEABRN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCc2cccs2)[C@H]1O ZINC000257253004 244274017 /nfs/dbraw/zinc/27/40/17/244274017.db2.gz JXESEDBEJHXARL-BFYDXBDKSA-N 0 0 333.457 2.457 40 0 EEABRN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC000257269785 244373543 /nfs/dbraw/zinc/37/35/43/244373543.db2.gz MRJDAYSMNSQZEQ-ZDUSSCGKSA-N 0 0 343.431 2.189 40 0 EEABRN Cn1cccc1C(=O)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257273059 244384423 /nfs/dbraw/zinc/38/44/23/244384423.db2.gz NFCDULQKQSIMSF-CYBMUJFWSA-N 0 0 325.372 2.141 40 0 EEABRN O=C(c1ccsc1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257273656 244386926 /nfs/dbraw/zinc/38/69/26/244386926.db2.gz NHPPPCZONCRHKV-HZPDHXFCSA-N 0 0 342.420 2.000 40 0 EEABRN CCn1nc(C(=O)N2CC[C@@H]3[C@H](C2)CCCCN3C(C)=O)cc1C ZINC000257281947 244409461 /nfs/dbraw/zinc/40/94/61/244409461.db2.gz ORQJRSZEFKOHDE-DOTOQJQBSA-N 0 0 332.448 2.075 40 0 EEABRN CN(C)c1nc([C@H]2CCCN2C(=O)C2CCOCC2)cn2cccc12 ZINC000257308408 244484868 /nfs/dbraw/zinc/48/48/68/244484868.db2.gz TWPNIKAUMHZHRR-MRXNPFEDSA-N 0 0 342.443 2.490 40 0 EEABRN O=S(=O)(C1CCCC1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257315299 244502197 /nfs/dbraw/zinc/50/21/97/244502197.db2.gz VASGEJCQEONHDL-UHFFFAOYSA-N 0 0 334.445 2.181 40 0 EEABRN Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)Cn2cccn2)o1 ZINC000019562946 212042462 /nfs/dbraw/zinc/04/24/62/212042462.db2.gz VFNQVCYCYHXPKS-LLVKDONJSA-N 0 0 344.400 2.062 40 0 EEABRN C[C@]1(C(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)CCCO1 ZINC000019461221 212031394 /nfs/dbraw/zinc/03/13/94/212031394.db2.gz RJRVSTKNYNCLAU-DNVCBOLYSA-N 0 0 330.428 2.018 40 0 EEABRN Cc1cc(N2CCN(c3nc4ccccc4cc3CO)CC2)nc(C)n1 ZINC000077938688 217003461 /nfs/dbraw/zinc/00/34/61/217003461.db2.gz KGVYIKDGGVGFDH-UHFFFAOYSA-N 0 0 349.438 2.461 40 0 EEABRN C[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000078444200 217053248 /nfs/dbraw/zinc/05/32/48/217053248.db2.gz ARPDVBIRMGQVPG-MRVPVSSYSA-N 0 0 349.143 2.291 40 0 EEABRN C[C@@H](c1ccccn1)N(C)C(=O)NCCn1c2ccccc2oc1=O ZINC000078605115 217085682 /nfs/dbraw/zinc/08/56/82/217085682.db2.gz ZFAOBZXVADKQIF-ZDUSSCGKSA-N 0 0 340.383 2.392 40 0 EEABRN Cc1ncccc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCC1 ZINC000078666078 217098410 /nfs/dbraw/zinc/09/84/10/217098410.db2.gz QISGZSQTOQGWPA-UHFFFAOYSA-N 0 0 345.424 2.427 40 0 EEABRN C[C@@]1(C(=O)OCCCn2nc3ccccn3c2=O)CC1(Cl)Cl ZINC000078823856 217129684 /nfs/dbraw/zinc/12/96/84/217129684.db2.gz GKGODKCQCNEYBU-ZDUSSCGKSA-N 0 0 344.198 2.013 40 0 EEABRN CCC(CC)[C@H](O)CNC(=O)NCc1cc(F)cc2c1OCOC2 ZINC000078925511 217148675 /nfs/dbraw/zinc/14/86/75/217148675.db2.gz DFAFINOGANYEQL-OAHLLOKOSA-N 0 0 340.395 2.289 40 0 EEABRN Cc1ccc(-n2nnnc2NC2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000078987889 217166647 /nfs/dbraw/zinc/16/66/47/217166647.db2.gz POIDCUBIQOEWRA-UHFFFAOYSA-N 0 0 342.447 2.420 40 0 EEABRN CC(C)CCS(=O)(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000079097792 217192760 /nfs/dbraw/zinc/19/27/60/217192760.db2.gz HURNTQDLFHMBSE-UHFFFAOYSA-N 0 0 326.397 2.076 40 0 EEABRN Cc1noc([C@@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C(C)C)n1 ZINC000079049985 217182242 /nfs/dbraw/zinc/18/22/42/217182242.db2.gz KCRQZKRZHWAFOR-FZMZJTMJSA-N 0 0 330.388 2.010 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCCN1Cc1cn2ccsc2n1 ZINC000079311663 217207191 /nfs/dbraw/zinc/20/71/91/217207191.db2.gz JOCRAXFGCWEVDU-NSHDSACASA-N 0 0 333.442 2.455 40 0 EEABRN C[C@@H]1[C@H]2[C@@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C ZINC000012654928 211430345 /nfs/dbraw/zinc/43/03/45/211430345.db2.gz UNJZVKFTIFAQTA-DJRQGLNMSA-N 0 0 342.443 2.394 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@H](c4ccccc4)C3)cc2[nH]1 ZINC000012362248 211355399 /nfs/dbraw/zinc/35/53/99/211355399.db2.gz RUVAZAHVHDVYBR-ZDUSSCGKSA-N 0 0 343.408 2.034 40 0 EEABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=N)N(c2nonc2N)C1=O ZINC000012372341 211358187 /nfs/dbraw/zinc/35/81/87/211358187.db2.gz KAZBQKQHWXSWDM-MZAXLVEPSA-N 0 0 340.368 2.497 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012239480 211328696 /nfs/dbraw/zinc/32/86/96/211328696.db2.gz KRQFPQPVJSBEHG-MFKMUULPSA-N 0 0 328.372 2.199 40 0 EEABRN CCn1cc(C(=O)N2C[C@@H]3c4nc(C)ncc4CC[C@@H]3C2)c(C)n1 ZINC000012232576 211326834 /nfs/dbraw/zinc/32/68/34/211326834.db2.gz NZPWUJSGORLHNJ-ZBFHGGJFSA-N 0 0 325.416 2.112 40 0 EEABRN CCCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3ccsc3n21 ZINC000012181609 211312428 /nfs/dbraw/zinc/31/24/28/211312428.db2.gz DLHFWHGROIHNDU-UHFFFAOYSA-N 0 0 344.440 2.286 40 0 EEABRN C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114781 211293768 /nfs/dbraw/zinc/29/37/68/211293768.db2.gz PCZFQQHYTPOMHC-VIFPVBQESA-N 0 0 328.763 2.406 40 0 EEABRN O=C(Cn1c2ccccc2c2ccccc21)N1CCn2cnnc2C1 ZINC000012115728 211293696 /nfs/dbraw/zinc/29/36/96/211293696.db2.gz LMXCFIMZAZPZOF-UHFFFAOYSA-N 0 0 331.379 2.428 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCOC)C1 ZINC000012145827 211305820 /nfs/dbraw/zinc/30/58/20/211305820.db2.gz IPHGQDYUTYFMAQ-CQSZACIVSA-N 0 0 330.432 2.035 40 0 EEABRN NC(=O)[C@H]1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735748 218163693 /nfs/dbraw/zinc/16/36/93/218163693.db2.gz FXQAGYVJMGZOPV-GOSISDBHSA-N 0 0 344.386 2.091 40 0 EEABRN CCc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1 ZINC000009140477 211044859 /nfs/dbraw/zinc/04/48/59/211044859.db2.gz RJCPORHBZZEATJ-UHFFFAOYSA-N 0 0 332.433 2.018 40 0 EEABRN Cc1nc(-c2cccc(NC(=O)[C@@H](C)N3CCN(C)CC3)c2)[nH]c1C ZINC000095351170 218286023 /nfs/dbraw/zinc/28/60/23/218286023.db2.gz RVLCJXGUSZYLSQ-OAHLLOKOSA-N 0 0 341.459 2.268 40 0 EEABRN CN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000007778818 210845871 /nfs/dbraw/zinc/84/58/71/210845871.db2.gz TUFMESLSXQHPLP-SFHVURJKSA-N 0 0 349.390 2.346 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040109 218522237 /nfs/dbraw/zinc/52/22/37/218522237.db2.gz RNDYZSGBVQJQAH-PKOBYXMFSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(c1ncccn1)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 ZINC000096109212 218603895 /nfs/dbraw/zinc/60/38/95/218603895.db2.gz BBMGIIUDKGITPO-APWZRJJASA-N 0 0 345.443 2.162 40 0 EEABRN Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 ZINC000096186351 218652661 /nfs/dbraw/zinc/65/26/61/218652661.db2.gz CNLGIPCQVRWKIM-IRXDYDNUSA-N 0 0 339.395 2.389 40 0 EEABRN O=C(NCCN(CCO)C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000006603109 210661989 /nfs/dbraw/zinc/66/19/89/210661989.db2.gz DNEBPTZKUGQXOF-UHFFFAOYSA-N 0 0 342.399 2.335 40 0 EEABRN C[C@H](NS(=O)(=O)CC1CCOCC1)c1csc(C2CC2)n1 ZINC000096428001 218800409 /nfs/dbraw/zinc/80/04/09/218800409.db2.gz QRTSLVIYZBEDRC-JTQLQIEISA-N 0 0 330.475 2.428 40 0 EEABRN O=C(c1cccnc1)N1CCN(c2cncc(Br)c2)CC1 ZINC000096429204 218802235 /nfs/dbraw/zinc/80/22/35/218802235.db2.gz AOJGNQYJBYOYPP-UHFFFAOYSA-N 0 0 347.216 2.202 40 0 EEABRN CC(C)n1ccc(CCNC(=O)c2cn(Cc3cccs3)nn2)n1 ZINC000096431190 218805998 /nfs/dbraw/zinc/80/59/98/218805998.db2.gz HIQUKVNZMLQBFG-UHFFFAOYSA-N 0 0 344.444 2.138 40 0 EEABRN CC(C)N1CC[C@@H](Nc2ccc(CS(=O)(=O)C(C)C)cc2)C1=O ZINC000096447861 218830597 /nfs/dbraw/zinc/83/05/97/218830597.db2.gz OHLZXVDVRJMULI-MRXNPFEDSA-N 0 0 338.473 2.431 40 0 EEABRN COC(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)cc1 ZINC000096454427 218838645 /nfs/dbraw/zinc/83/86/45/218838645.db2.gz MFEJXSRPBVHZKP-NSHDSACASA-N 0 0 344.333 2.182 40 0 EEABRN Cn1cc(CNC(=O)NC[C@]2(C)CCCO2)c(-c2ccccc2)n1 ZINC000096501284 218877576 /nfs/dbraw/zinc/87/75/76/218877576.db2.gz TZDFHHSFUWHYOA-SFHVURJKSA-N 0 0 328.416 2.455 40 0 EEABRN C[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@H]1CCCO1 ZINC000004967019 210342203 /nfs/dbraw/zinc/34/22/03/210342203.db2.gz XEKICIXWAPZEGD-WDEREUQCSA-N 0 0 336.413 2.080 40 0 EEABRN CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)C ZINC000004859288 210303351 /nfs/dbraw/zinc/30/33/51/210303351.db2.gz OEXUOANZUJGREB-UHFFFAOYSA-N 0 0 348.472 2.178 40 0 EEABRN Cc1cnc([C@@H](C)NC(=O)N2CCN(c3ccnc(C)n3)CC2)s1 ZINC000097376479 219018797 /nfs/dbraw/zinc/01/87/97/219018797.db2.gz HPFQWXDGZJKUMB-GFCCVEGCSA-N 0 0 346.460 2.143 40 0 EEABRN COc1cccc([C@@H](C)N2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000097378020 219019462 /nfs/dbraw/zinc/01/94/62/219019462.db2.gz AJWHNYKWXSICFR-IUODEOHRSA-N 0 0 332.366 2.297 40 0 EEABRN CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408588083 257895229 /nfs/dbraw/zinc/89/52/29/257895229.db2.gz BZZKJCIHPOADMP-ZDUSSCGKSA-N 0 0 342.461 2.059 40 0 EEABRN COc1ccc(C(=O)N2CCC(O)(c3ccccn3)CC2)cc1OC ZINC000072342275 257914027 /nfs/dbraw/zinc/91/40/27/257914027.db2.gz UBGWDSDPHGKGBY-UHFFFAOYSA-N 0 0 342.395 2.223 40 0 EEABRN O=C(CN1CCN(c2ccc(F)cc2)CC1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000055562698 132196039 /nfs/dbraw/zinc/19/60/39/132196039.db2.gz WSZGQWODUQPPNN-HDMKZQKVSA-N 0 0 331.435 2.253 40 0 EEABRN O=C(c1ccc(S(=O)(=O)NC2CC2)o1)N1CCCc2ccccc21 ZINC000035597561 132390427 /nfs/dbraw/zinc/39/04/27/132390427.db2.gz OVVNGXSSMSONQJ-UHFFFAOYSA-N 0 0 346.408 2.313 40 0 EEABRN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 ZINC000218362562 292237925 /nfs/dbraw/zinc/23/79/25/292237925.db2.gz BXRWTUGXDKJDCD-MSOLQXFVSA-N 0 0 346.448 2.214 40 0 EEABRN O=S(=O)(CCO)c1ccc(NCc2cnc(Cl)s2)cc1 ZINC000159002021 225126166 /nfs/dbraw/zinc/12/61/66/225126166.db2.gz FSXISIWLIKGALQ-UHFFFAOYSA-N 0 0 332.834 2.175 40 0 EEABRN CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc21 ZINC000096432406 277098325 /nfs/dbraw/zinc/09/83/25/277098325.db2.gz WWNYVJAAIJGVNF-UHFFFAOYSA-N 0 0 348.399 2.326 40 0 EEABRN CO[C@H](C)C(=O)N1CCC(c2ccccc2NC(=O)[C@H](C)OC)CC1 ZINC000192990649 277321808 /nfs/dbraw/zinc/32/18/08/277321808.db2.gz ZOJYPDCVFSEVKB-UONOGXRCSA-N 0 0 348.443 2.401 40 0 EEABRN COc1ccc2c(c1)CCCN(C(=O)C1(O)Cc3ccccc3C1)C2 ZINC000096444691 277434361 /nfs/dbraw/zinc/43/43/61/277434361.db2.gz XIAYVHYENOWDBH-UHFFFAOYSA-N 0 0 337.419 2.500 40 0 EEABRN COc1ncnc2c1CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000096255593 278098958 /nfs/dbraw/zinc/09/89/58/278098958.db2.gz IDIIORVLLQBVEY-UHFFFAOYSA-N 0 0 334.379 2.274 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2ccncc2)CC1 ZINC000090635866 278389598 /nfs/dbraw/zinc/38/95/98/278389598.db2.gz KXQHHNRJYINOQB-AWEZNQCLSA-N 0 0 335.404 2.150 40 0 EEABRN CC(C)CCc1noc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1 ZINC000084089888 278801378 /nfs/dbraw/zinc/80/13/78/278801378.db2.gz OHAAOJBCZMEXMR-KGLIPLIRSA-N 0 0 343.493 2.446 40 0 EEABRN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000005008676 280175567 /nfs/dbraw/zinc/17/55/67/280175567.db2.gz IMPGFTJASUJEHT-FUTJPDQTSA-N 0 0 334.169 2.282 40 0 EEABRN CN([C@@H](C(=O)Nc1ccccc1F)c1ccccc1)S(C)(=O)=O ZINC000225811586 289777480 /nfs/dbraw/zinc/77/74/80/289777480.db2.gz PUNVFBOHWLWBTC-OAHLLOKOSA-N 0 0 336.388 2.397 40 0 EEABRN C[S@@](=O)CCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000096408826 300880968 /nfs/dbraw/zinc/88/09/68/300880968.db2.gz OYVCANJCZFNOQY-TUMIKQJQSA-N 0 0 334.363 2.239 40 0 EEABRN O=S1(=O)CCCN1CCn1c2ccccc2nc1C(F)(F)F ZINC000331730289 311898521 /nfs/dbraw/zinc/89/85/21/311898521.db2.gz QDWQFDOMPDTYPT-UHFFFAOYSA-N 0 0 333.335 2.091 40 0 EEABRN CC(C)CN1C[C@H](c2nc(Cc3ccc4c(c3)OCO4)no2)CC1=O ZINC000544987505 318200704 /nfs/dbraw/zinc/20/07/04/318200704.db2.gz HJZWPBZIOYSQND-CYBMUJFWSA-N 0 0 343.383 2.361 40 0 EEABRN O=C(CCc1cccc(C(F)(F)F)c1)NC1CCS(=O)(=O)CC1 ZINC000097094608 323320499 /nfs/dbraw/zinc/32/04/99/323320499.db2.gz YPSREFDUTCJQNY-UHFFFAOYSA-N 0 0 349.374 2.331 40 0 EEABRN CCc1nnc(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)[nH]1 ZINC000097096277 323320525 /nfs/dbraw/zinc/32/05/25/323320525.db2.gz QVTICMGMVXUPIM-AWEZNQCLSA-N 0 0 343.431 2.287 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000155970544 323333122 /nfs/dbraw/zinc/33/31/22/323333122.db2.gz YEAVBFQBUGBPBI-KPZWWZAWSA-N 0 0 336.432 2.011 40 0 EEABRN CC1(C)[C@H](NC(=O)NCCOCCc2ccccc2)[C@H]2CCO[C@H]21 ZINC000230096232 464202324 /nfs/dbraw/zinc/20/23/24/464202324.db2.gz KMRQVNKZCQDSAV-BRWVUGGUSA-N 0 0 332.444 2.358 40 0 EEABRN O=C(Nc1ccc2c(c1)OCC(=O)N2)C(F)(F)C1(O)CCCCC1 ZINC000252487887 464964483 /nfs/dbraw/zinc/96/44/83/464964483.db2.gz IDILXOQZEVHIBS-UHFFFAOYSA-N 0 0 340.326 2.287 40 0 EEABRN CC(C)c1nnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)s1 ZINC000000138427 462543569 /nfs/dbraw/zinc/54/35/69/462543569.db2.gz IEGIMNJJUTVYAS-SECBINFHSA-N 0 0 344.396 2.285 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)C(c1ccccc1)c1ccccc1 ZINC000085469053 462548503 /nfs/dbraw/zinc/54/85/03/462548503.db2.gz WMUAAZJXGNEHOY-KZNAEPCWSA-N 0 0 325.408 2.067 40 0 EEABRN COc1ccc(-n2nnnc2SCC(=O)N(C(C)C)C(C)C)cc1 ZINC000000415619 462560039 /nfs/dbraw/zinc/56/00/39/462560039.db2.gz XXAVWKKXBKEEOO-UHFFFAOYSA-N 0 0 349.460 2.408 40 0 EEABRN O=C(NCc1nnc2n1CCC2)N[C@@H](c1ccco1)c1ccccc1 ZINC000045152644 462563598 /nfs/dbraw/zinc/56/35/98/462563598.db2.gz NZXPQUGYEQYEQH-QGZVFWFLSA-N 0 0 337.383 2.406 40 0 EEABRN Cc1ccc2c(c1)c1nnc(SCC(=O)NC(C)C)nc1n2C ZINC000001366135 462579998 /nfs/dbraw/zinc/57/99/98/462579998.db2.gz PUXLICQTBUXNMJ-UHFFFAOYSA-N 0 0 329.429 2.442 40 0 EEABRN CCOc1ccccc1-n1nnnc1SCC(=O)NC(C)(C)C ZINC000001357505 462580179 /nfs/dbraw/zinc/58/01/79/462580179.db2.gz JCDWPQCZRSKVAV-UHFFFAOYSA-N 0 0 335.433 2.068 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)N[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000002112205 462590050 /nfs/dbraw/zinc/59/00/50/462590050.db2.gz ZXDYINSNNCZYMI-CWVYHPPDSA-N 0 0 343.496 2.331 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)CN1CCOCC1 ZINC000074372509 462592844 /nfs/dbraw/zinc/59/28/44/462592844.db2.gz IRESVKFTRFWBNU-IEBWSBKVSA-N 0 0 345.487 2.229 40 0 EEABRN O=C(c1ccncc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000062007413 462606749 /nfs/dbraw/zinc/60/67/49/462606749.db2.gz NLNRQPXTBHJRAU-UHFFFAOYSA-N 0 0 333.395 2.434 40 0 EEABRN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000045749983 462613881 /nfs/dbraw/zinc/61/38/81/462613881.db2.gz MFKJTRUQHSCIPQ-HNNXBMFYSA-N 0 0 325.368 2.225 40 0 EEABRN COCCCNC(=O)CSc1nnc(C)n1-c1cccc(C)c1 ZINC000005357920 462657112 /nfs/dbraw/zinc/65/71/12/462657112.db2.gz ZKHAOCRSBVEATQ-UHFFFAOYSA-N 0 0 334.445 2.129 40 0 EEABRN Cc1cc(NC(=O)[C@H]2CSCCC(=O)N2)ccc1Br ZINC000075171293 462690706 /nfs/dbraw/zinc/69/07/06/462690706.db2.gz INQSENHYYCGVJC-LLVKDONJSA-N 0 0 343.246 2.318 40 0 EEABRN COc1cccc(OCCNC(=O)Cc2ccc(OC)c(OC)c2)c1 ZINC000046644726 462694107 /nfs/dbraw/zinc/69/41/07/462694107.db2.gz GMDZVVBICMHNBW-UHFFFAOYSA-N 0 0 345.395 2.450 40 0 EEABRN CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000006845733 462708386 /nfs/dbraw/zinc/70/83/86/462708386.db2.gz OCAQWFQXARGTAX-CYBMUJFWSA-N 0 0 348.424 2.391 40 0 EEABRN O=S1(=O)CCCN1c1cc(NCc2ccc(CO)o2)ccc1F ZINC000089793324 462719840 /nfs/dbraw/zinc/71/98/40/462719840.db2.gz ZMENPCJDWANDMU-UHFFFAOYSA-N 0 0 340.376 2.063 40 0 EEABRN COc1cc(OC)cc(-c2nc(SCc3nnc(C)o3)n[nH]2)c1 ZINC000007604717 462740793 /nfs/dbraw/zinc/74/07/93/462740793.db2.gz RDSJQNXRMBHNEI-UHFFFAOYSA-N 0 0 333.373 2.473 40 0 EEABRN COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000007928695 462758210 /nfs/dbraw/zinc/75/82/10/462758210.db2.gz JFZAPOSZMRLVFY-CQSZACIVSA-N 0 0 339.347 2.432 40 0 EEABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O ZINC000007928198 462758434 /nfs/dbraw/zinc/75/84/34/462758434.db2.gz QTOJZKLFOSCPIS-DLBZAZTESA-N 0 0 344.455 2.460 40 0 EEABRN O=C(CSc1ncccn1)N1CCN(c2ccccc2F)CC1 ZINC000008069723 462765116 /nfs/dbraw/zinc/76/51/16/462765116.db2.gz PNNLELOTPLXMGS-UHFFFAOYSA-N 0 0 332.404 2.057 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(CCc3ccccn3)CC2)s1 ZINC000075968699 462780072 /nfs/dbraw/zinc/78/00/72/462780072.db2.gz QGVCDSMWCIMQLO-UHFFFAOYSA-N 0 0 346.456 2.080 40 0 EEABRN Cc1cccc(-c2nc(C(=O)NCCO)nn2-c2ccc(F)cc2)c1 ZINC000008476872 462786007 /nfs/dbraw/zinc/78/60/07/462786007.db2.gz ATZOQHBEJRZDBG-UHFFFAOYSA-N 0 0 340.358 2.104 40 0 EEABRN Cc1cccc(O[C@H](C)C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1 ZINC000065757453 462824095 /nfs/dbraw/zinc/82/40/95/462824095.db2.gz FIPWFFSMGWQAOQ-CYBMUJFWSA-N 0 0 346.431 2.258 40 0 EEABRN Cc1ccc([C@@H](O)CNC(=O)c2cnc(C(F)(F)F)nc2)cc1 ZINC000132052916 462840036 /nfs/dbraw/zinc/84/00/36/462840036.db2.gz BEHYYWWEFMBTNA-LBPRGKRZSA-N 0 0 325.290 2.267 40 0 EEABRN COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000048331805 462894490 /nfs/dbraw/zinc/89/44/90/462894490.db2.gz WDJAQXWCDVGDPG-UHFFFAOYSA-N 0 0 335.381 2.429 40 0 EEABRN CC[C@H](C(=O)N(CC)CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712965 462901489 /nfs/dbraw/zinc/90/14/89/462901489.db2.gz OFHMCLJDEAFARG-OAHLLOKOSA-N 0 0 326.462 2.408 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC[S@]1=O ZINC000076951688 462925664 /nfs/dbraw/zinc/92/56/64/462925664.db2.gz ZSZZLKGGTYAELQ-HUORMQABSA-N 0 0 330.494 2.133 40 0 EEABRN O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nn2cnnc2)cc1 ZINC000014405711 462927203 /nfs/dbraw/zinc/92/72/03/462927203.db2.gz GZJDQFLYWPNSCW-IZZDOVSWSA-N 0 0 333.351 2.314 40 0 EEABRN CCn1cc(C(=O)NCCC(=O)Nc2cccc(C)n2)c(C(C)C)n1 ZINC000076964922 462928883 /nfs/dbraw/zinc/92/88/83/462928883.db2.gz XEUJFVKXYWUQKC-UHFFFAOYSA-N 0 0 343.431 2.488 40 0 EEABRN COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2cccs2)cc1 ZINC000077178899 462947247 /nfs/dbraw/zinc/94/72/47/462947247.db2.gz NYRSZCUPROZZMQ-OAHLLOKOSA-N 0 0 341.454 2.029 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 ZINC000017117124 462995730 /nfs/dbraw/zinc/99/57/30/462995730.db2.gz DMXQFVPUGYEUNL-UHFFFAOYSA-N 0 0 338.816 2.178 40 0 EEABRN Cc1nc(CNC(=O)CCc2nc(-c3ccccc3Cl)no2)no1 ZINC000019286058 463016671 /nfs/dbraw/zinc/01/66/71/463016671.db2.gz LZNFECZMJPJNAO-UHFFFAOYSA-N 0 0 347.762 2.330 40 0 EEABRN CC(C)S(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@@H]2C1 ZINC000019450988 463017895 /nfs/dbraw/zinc/01/78/95/463017895.db2.gz YDULGAPHJXTEQU-IAOVAPTHSA-N 0 0 341.448 2.483 40 0 EEABRN CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCc1ccccc1)C2 ZINC000019707222 463021105 /nfs/dbraw/zinc/02/11/05/463021105.db2.gz NNDKULKQXRWZJB-MRXNPFEDSA-N 0 0 339.443 2.020 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000134402706 463034735 /nfs/dbraw/zinc/03/47/35/463034735.db2.gz YFNIKLLBWNKASQ-BXUZGUMPSA-N 0 0 346.349 2.387 40 0 EEABRN O=C(NCC1(O)CCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000077820721 463056228 /nfs/dbraw/zinc/05/62/28/463056228.db2.gz MSQPCIHEBSCQBU-UHFFFAOYSA-N 0 0 344.333 2.455 40 0 EEABRN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC1CCS(=O)(=O)CC1 ZINC000078402296 463113819 /nfs/dbraw/zinc/11/38/19/463113819.db2.gz NQJXXLWUHURZQC-ZDUSSCGKSA-N 0 0 349.374 2.416 40 0 EEABRN CS(=O)(=O)Nc1cccc(C(=O)NCCSC2CCCC2)c1 ZINC000025246228 463115619 /nfs/dbraw/zinc/11/56/19/463115619.db2.gz WRUNOFKJATUIRB-UHFFFAOYSA-N 0 0 342.486 2.464 40 0 EEABRN CC(C)[C@@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O ZINC000096032853 463142877 /nfs/dbraw/zinc/14/28/77/463142877.db2.gz KSBISSAWUAIQIT-SWLSCSKDSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CN(Cc1ccco1)[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]2CCCO[C@H]12 ZINC000096040669 463145573 /nfs/dbraw/zinc/14/55/73/463145573.db2.gz MDTZEDYCIGANSF-UHOSZYNNSA-N 0 0 344.459 2.125 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccccn2)c1 ZINC000096041845 463146558 /nfs/dbraw/zinc/14/65/58/463146558.db2.gz SNPLIWJXDRTWGU-IPMKNSEASA-N 0 0 342.443 2.117 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)o1 ZINC000096041876 463146777 /nfs/dbraw/zinc/14/67/77/463146777.db2.gz IEFBJKJHISYMEH-JJRVBVJISA-N 0 0 328.368 2.434 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042241 463147372 /nfs/dbraw/zinc/14/73/72/463147372.db2.gz NRDUGSWQYLCCQD-YESZJQIVSA-N 0 0 328.368 2.263 40 0 EEABRN COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21 ZINC000096045082 463149196 /nfs/dbraw/zinc/14/91/96/463149196.db2.gz QOTVMFXGGIQONF-HNNXBMFYSA-N 0 0 340.427 2.003 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045077 463149386 /nfs/dbraw/zinc/14/93/86/463149386.db2.gz WCWUGUZWVHTBCP-OAHLLOKOSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)no1 ZINC000096046186 463149890 /nfs/dbraw/zinc/14/98/90/463149890.db2.gz BPTUSXCHYWDVSX-IAOVAPTHSA-N 0 0 343.383 2.459 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096045569 463150440 /nfs/dbraw/zinc/15/04/40/463150440.db2.gz AASZKWNTGHHZRU-CYBMUJFWSA-N 0 0 332.429 2.136 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 ZINC000096058135 463159917 /nfs/dbraw/zinc/15/99/17/463159917.db2.gz KKXIVYZLFRVMBI-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060474 463160368 /nfs/dbraw/zinc/16/03/68/463160368.db2.gz HEYGHOZINVIHHQ-INIZCTEOSA-N 0 0 329.448 2.163 40 0 EEABRN C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(Cc1nccs1)CC2 ZINC000096066611 463165029 /nfs/dbraw/zinc/16/50/29/463165029.db2.gz IYOUKPDHXRYROY-NSHDSACASA-N 0 0 331.445 2.049 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC000096075172 463168358 /nfs/dbraw/zinc/16/83/58/463168358.db2.gz BKQXAIPBMUEUMX-CQSZACIVSA-N 0 0 330.432 2.024 40 0 EEABRN CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096075146 463168876 /nfs/dbraw/zinc/16/88/76/463168876.db2.gz PMNHYRMTOGDMCH-UGSOOPFHSA-N 0 0 345.399 2.184 40 0 EEABRN Cc1cccc(CN2CCO[C@H]3[C@H]2CC[C@H]3CNc2ncccn2)n1 ZINC000096082550 463170675 /nfs/dbraw/zinc/17/06/75/463170675.db2.gz CBBGPGBYXJSGGN-CGTJXYLNSA-N 0 0 339.443 2.272 40 0 EEABRN CCO[C@H]1CO[C@]2(C1)CCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096107217 463175842 /nfs/dbraw/zinc/17/58/42/463175842.db2.gz SKYTZWUCUMBFBY-ZBFHGGJFSA-N 0 0 325.430 2.035 40 0 EEABRN CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C)n1C ZINC000079042804 463182949 /nfs/dbraw/zinc/18/29/49/463182949.db2.gz KEXQDBWROGMFCQ-UHFFFAOYSA-N 0 0 334.441 2.447 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000096181817 463194235 /nfs/dbraw/zinc/19/42/35/463194235.db2.gz AJQZJXVNDWMGIJ-ZWKOTPCHSA-N 0 0 342.370 2.040 40 0 EEABRN Cc1nnc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)s1 ZINC000096183174 463194288 /nfs/dbraw/zinc/19/42/88/463194288.db2.gz UGCRVGSFGWRBHP-UHFFFAOYSA-N 0 0 330.413 2.500 40 0 EEABRN O=C(COCc1nc(-c2ccncc2)no1)NCc1ccccc1F ZINC000096182019 463194361 /nfs/dbraw/zinc/19/43/61/463194361.db2.gz DTYPBRLLUVOLJI-UHFFFAOYSA-N 0 0 342.330 2.104 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)nc1 ZINC000096181733 463194575 /nfs/dbraw/zinc/19/45/75/463194575.db2.gz QCRBNBYNYWMDER-IRXDYDNUSA-N 0 0 343.358 2.066 40 0 EEABRN CCN1CCN(C(=O)c2nnn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000096183528 463195826 /nfs/dbraw/zinc/19/58/26/463195826.db2.gz MIBRHZACPPTLKD-UHFFFAOYSA-N 0 0 347.850 2.066 40 0 EEABRN Cn1cc(CN2Cc3cncn3C[C@H](COCC3CCC3)C2)cn1 ZINC000096208729 463212401 /nfs/dbraw/zinc/21/24/01/463212401.db2.gz ZZPPNRKDVFGZPO-QGZVFWFLSA-N 0 0 329.448 2.065 40 0 EEABRN CCO[C@@H]1CO[C@]2(C1)CCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096208914 463212700 /nfs/dbraw/zinc/21/27/00/463212700.db2.gz WSCXOPBKFYYEJV-KXBFYZLASA-N 0 0 347.411 2.144 40 0 EEABRN COc1cc(N2CCOC[C@@H]2c2csc(N3CCCC3)n2)ncn1 ZINC000096216477 463215529 /nfs/dbraw/zinc/21/55/29/463215529.db2.gz QSDFMUVNMPWSJI-CYBMUJFWSA-N 0 0 347.444 2.120 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096219026 463215950 /nfs/dbraw/zinc/21/59/50/463215950.db2.gz XDVZZGXLKVDTML-MAUKXSAKSA-N 0 0 327.384 2.469 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096219315 463216154 /nfs/dbraw/zinc/21/61/54/463216154.db2.gz TYGKZZBEXDPMAN-BBRMVZONSA-N 0 0 331.445 2.087 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)cn1 ZINC000096220331 463218262 /nfs/dbraw/zinc/21/82/62/463218262.db2.gz GVBCXDOAYBVBRV-MRXNPFEDSA-N 0 0 340.427 2.302 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)nn1 ZINC000096224445 463219898 /nfs/dbraw/zinc/21/98/98/463219898.db2.gz NVFOXLUZKLNDPT-LJQANCHMSA-N 0 0 337.427 2.199 40 0 EEABRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096226980 463222197 /nfs/dbraw/zinc/22/21/97/463222197.db2.gz BUIBMUGNELLGGA-PXNSSMCTSA-N 0 0 335.407 2.250 40 0 EEABRN CN1CC(=O)N(c2ccsc2)C[C@]12CCN(c1nccs1)C2 ZINC000096238087 463223100 /nfs/dbraw/zinc/22/31/00/463223100.db2.gz KPWWFNJXZKBMML-OAHLLOKOSA-N 0 0 334.470 2.132 40 0 EEABRN Cc1nc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)cs1 ZINC000096248819 463227438 /nfs/dbraw/zinc/22/74/38/463227438.db2.gz WCWIRBLRPSZOQH-SJORKVTESA-N 0 0 348.472 2.142 40 0 EEABRN O=C(c1cnccn1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255288 463228157 /nfs/dbraw/zinc/22/81/57/463228157.db2.gz KFOLFDXXGKCTBA-UHFFFAOYSA-N 0 0 349.369 2.314 40 0 EEABRN C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404366 463238296 /nfs/dbraw/zinc/23/82/96/463238296.db2.gz UTWIKRNTAHBQOH-YEBMWUKDSA-N 0 0 344.436 2.086 40 0 EEABRN O=C([C@@H]1CCOc2ccccc21)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000096403814 463238506 /nfs/dbraw/zinc/23/85/06/463238506.db2.gz FEWHOMJJJXGYMB-AEFFLSMTSA-N 0 0 336.391 2.252 40 0 EEABRN Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)[C@H]2CCOC2)c1 ZINC000096403914 463238600 /nfs/dbraw/zinc/23/86/00/463238600.db2.gz VRVCZLZWSOBVOX-INIZCTEOSA-N 0 0 330.428 2.377 40 0 EEABRN CN(C(=O)CCCn1cccn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000096406492 463240072 /nfs/dbraw/zinc/24/00/72/463240072.db2.gz BBJLSDTVCVXJIF-KRWDZBQOSA-N 0 0 340.427 2.317 40 0 EEABRN Cc1ccc(N2CCCC2)c(C(=O)NCc2cnc(N(C)C)n2C)c1 ZINC000096408468 463241374 /nfs/dbraw/zinc/24/13/74/463241374.db2.gz KMEYQQOXGWJOJH-UHFFFAOYSA-N 0 0 341.459 2.325 40 0 EEABRN CCc1ccc([C@H]2COCCN2Cc2cc(=O)n3ccsc3n2)o1 ZINC000096413011 463244704 /nfs/dbraw/zinc/24/47/04/463244704.db2.gz UWYNTQOBBNSJFY-CQSZACIVSA-N 0 0 345.424 2.485 40 0 EEABRN NS(=O)(=O)Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000096412343 463245286 /nfs/dbraw/zinc/24/52/86/463245286.db2.gz LMIUZNRXDJNXGK-UHFFFAOYSA-N 0 0 348.399 2.285 40 0 EEABRN COC(=O)[C@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000158658345 463245705 /nfs/dbraw/zinc/24/57/05/463245705.db2.gz DMBSOUNFDXAPIT-AWEZNQCLSA-N 0 0 343.383 2.436 40 0 EEABRN CC(C)(C(=O)N[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000096413186 463246193 /nfs/dbraw/zinc/24/61/93/463246193.db2.gz YNNFLDZOPALTCX-CYBMUJFWSA-N 0 0 329.849 2.311 40 0 EEABRN O=C1[C@H](N2CCC[C@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1 ZINC000096417420 463249538 /nfs/dbraw/zinc/24/95/38/463249538.db2.gz VPPCZWGEGWIEJJ-JKSUJKDBSA-N 0 0 345.834 2.374 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnn(C(C)(C)C)c1)CC2 ZINC000096420932 463252109 /nfs/dbraw/zinc/25/21/09/463252109.db2.gz SSHLBERAIYKZJR-LSDHHAIUSA-N 0 0 335.448 2.030 40 0 EEABRN CCc1cc(CNC(=O)NC[C@@H](C)N2CCc3ccccc32)on1 ZINC000096421429 463253091 /nfs/dbraw/zinc/25/30/91/463253091.db2.gz XYXPGPOPNPWLEL-CYBMUJFWSA-N 0 0 328.416 2.487 40 0 EEABRN C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000096426161 463256290 /nfs/dbraw/zinc/25/62/90/463256290.db2.gz XBRIZIBLLWGQFR-GFCCVEGCSA-N 0 0 338.473 2.070 40 0 EEABRN O=C(c1cccc(NCCOCC(F)(F)F)c1)N1CCC[C@@H](O)C1 ZINC000096427487 463256784 /nfs/dbraw/zinc/25/67/84/463256784.db2.gz IIGDDHGFAUUOJK-CQSZACIVSA-N 0 0 346.349 2.274 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC000096429569 463259512 /nfs/dbraw/zinc/25/95/12/463259512.db2.gz LACFBNMAFSKVNC-CABCVRRESA-N 0 0 344.415 2.196 40 0 EEABRN C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096430600 463260201 /nfs/dbraw/zinc/26/02/01/463260201.db2.gz WMKXZGXOQQRTGE-GFUIURDCSA-N 0 0 337.489 2.291 40 0 EEABRN Cc1ccc(O[C@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 ZINC000096431395 463260443 /nfs/dbraw/zinc/26/04/43/463260443.db2.gz QOXYMRWKPDTGIL-ZIAGYGMSSA-N 0 0 330.384 2.290 40 0 EEABRN CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000096435043 463262131 /nfs/dbraw/zinc/26/21/31/463262131.db2.gz IRFJPDGGVJQLJL-AWEZNQCLSA-N 0 0 338.839 2.491 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3CCC[C@@H]3O)cn2)n1 ZINC000096434057 463262356 /nfs/dbraw/zinc/26/23/56/463262356.db2.gz HSKLSSYZBFCJLA-ZFWWWQNUSA-N 0 0 329.404 2.167 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000096435438 463263358 /nfs/dbraw/zinc/26/33/58/463263358.db2.gz NJBUWIVWXXWNEL-MRVPVSSYSA-N 0 0 342.172 2.390 40 0 EEABRN CC1(C)CN(C(=O)c2nccn3ccnc23)CCN1Cc1ccccc1 ZINC000096436372 463264346 /nfs/dbraw/zinc/26/43/46/463264346.db2.gz AYDPECUOCCTWKL-UHFFFAOYSA-N 0 0 349.438 2.466 40 0 EEABRN C[C@@](O)(CNC(=O)NCCCn1cnc2ccccc21)c1ccco1 ZINC000096437437 463264361 /nfs/dbraw/zinc/26/43/61/463264361.db2.gz GQPCCFDEAWXAST-GOSISDBHSA-N 0 0 342.399 2.226 40 0 EEABRN CSC[C@@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437102 463264911 /nfs/dbraw/zinc/26/49/11/463264911.db2.gz KGSAWFRZWHJXFE-HQJQHLMTSA-N 0 0 335.242 2.456 40 0 EEABRN Nn1c(SCc2nccn2C(F)F)nnc1[C@H]1CCCCO1 ZINC000096436710 463264922 /nfs/dbraw/zinc/26/49/22/463264922.db2.gz WFWRAIPFOCDWCV-MRVPVSSYSA-N 0 0 330.364 2.117 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCCCc2nc(C)no2)C12CCCC2 ZINC000096439740 463265964 /nfs/dbraw/zinc/26/59/64/463265964.db2.gz RITBUXKUTAAZJE-UONOGXRCSA-N 0 0 336.436 2.348 40 0 EEABRN Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCc1nccn1CC(C)C ZINC000096439520 463266183 /nfs/dbraw/zinc/26/61/83/463266183.db2.gz DHMOLAXJURHIKK-LBPRGKRZSA-N 0 0 332.452 2.450 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCCCCc2cnn(C)c2)C12CCC2 ZINC000096444013 463270023 /nfs/dbraw/zinc/27/00/23/463270023.db2.gz FRCWDLWZGZMWQZ-JKSUJKDBSA-N 0 0 334.464 2.390 40 0 EEABRN CCc1cc(N2CCC(Nc3cc(Cl)nc(N)n3)CC2)ncn1 ZINC000096449464 463272152 /nfs/dbraw/zinc/27/21/52/463272152.db2.gz VTICVBSSCFMXMN-UHFFFAOYSA-N 0 0 333.827 2.146 40 0 EEABRN Cc1ccccc1NC(=O)CCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000096456392 463275726 /nfs/dbraw/zinc/27/57/26/463275726.db2.gz URNVAIGENWLQEZ-OAHLLOKOSA-N 0 0 346.500 2.433 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CCc3ccco3)CC2)nc(C)n1 ZINC000096454883 463275779 /nfs/dbraw/zinc/27/57/79/463275779.db2.gz AGNUIYOEGRACHW-UHFFFAOYSA-N 0 0 328.416 2.404 40 0 EEABRN Cn1cc(CCNC(=O)c2ccccc2NCc2cccnc2)cn1 ZINC000096459222 463276942 /nfs/dbraw/zinc/27/69/42/463276942.db2.gz JACFBDMQYMHAGK-UHFFFAOYSA-N 0 0 335.411 2.400 40 0 EEABRN C[C@@H](Nc1cccc(NC(=O)CO)c1)c1cn(-c2ccccc2)nn1 ZINC000096472238 463279150 /nfs/dbraw/zinc/27/91/50/463279150.db2.gz AVTZRBFJHIQVPX-CYBMUJFWSA-N 0 0 337.383 2.371 40 0 EEABRN Cn1cc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)cn1 ZINC000096475156 463279838 /nfs/dbraw/zinc/27/98/38/463279838.db2.gz CHRWTSZIUIGORI-UHFFFAOYSA-N 0 0 328.397 2.211 40 0 EEABRN O=C1[C@@H](N2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486789 463284940 /nfs/dbraw/zinc/28/49/40/463284940.db2.gz YOTRNCZPZAUPTJ-AWEZNQCLSA-N 0 0 340.782 2.033 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1=COCCC1 ZINC000096494907 463288987 /nfs/dbraw/zinc/28/89/87/463288987.db2.gz QVJOFHKAAQCBAF-CQSZACIVSA-N 0 0 338.766 2.395 40 0 EEABRN C[C@H](CNC(=O)NCc1ccccc1N1CCCCC1)[S@](C)=O ZINC000096499833 463289997 /nfs/dbraw/zinc/28/99/97/463289997.db2.gz HRCOEHLOYPUVHK-QKFKETGDSA-N 0 0 337.489 2.243 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)C(=O)c1cccc(N)c1 ZINC000096518198 463293935 /nfs/dbraw/zinc/29/39/35/463293935.db2.gz NVQZASODOFFSAS-JTQLQIEISA-N 0 0 340.626 2.174 40 0 EEABRN Cn1ccsc1=NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000030991179 463320570 /nfs/dbraw/zinc/32/05/70/463320570.db2.gz BTDOCCFVTOUAFQ-IJCFTNORSA-N 0 0 335.816 2.220 40 0 EEABRN O=C1[C@H](Nc2cnn(CC(F)(F)F)c2)CCN1CC(F)(F)F ZINC000097102892 463323721 /nfs/dbraw/zinc/32/37/21/463323721.db2.gz CJHVTTJAYHIFQB-MRVPVSSYSA-N 0 0 330.232 2.021 40 0 EEABRN Cc1nccn1Cc1cccc(CNC(=O)c2cccc3n[nH]nc32)c1 ZINC000097103820 463325594 /nfs/dbraw/zinc/32/55/94/463325594.db2.gz MTQOIOHDJYDOPV-UHFFFAOYSA-N 0 0 346.394 2.441 40 0 EEABRN CN1CCN(CC(=O)NCC2(Cc3ccccc3)CCCC2)CC1 ZINC000097233640 463351125 /nfs/dbraw/zinc/35/11/25/463351125.db2.gz IEXZTDZIOWBQPK-UHFFFAOYSA-N 0 0 329.488 2.153 40 0 EEABRN Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccccn3)CC2)s1 ZINC000145793088 463382915 /nfs/dbraw/zinc/38/29/15/463382915.db2.gz NIYKYHNXUWBWCB-UHFFFAOYSA-N 0 0 330.413 2.441 40 0 EEABRN COc1ccccc1[C@H](NC(=O)c1cc(C)on1)c1noc(C)n1 ZINC000070982374 463399693 /nfs/dbraw/zinc/39/96/93/463399693.db2.gz HJGBSCCJAGFLFJ-AWEZNQCLSA-N 0 0 328.328 2.202 40 0 EEABRN Cc1noc(C)c1CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161636006 463444739 /nfs/dbraw/zinc/44/47/39/463444739.db2.gz CVJSKIOJJGRIAD-UHFFFAOYSA-N 0 0 340.387 2.451 40 0 EEABRN CC[C@@H](c1ccccc1)n1cc2[nH]c(N3CCOCC3)ncc-2c1=O ZINC000041122923 463468499 /nfs/dbraw/zinc/46/84/99/463468499.db2.gz LXFAYXNDKNURJO-KRWDZBQOSA-N 0 0 338.411 2.420 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1F ZINC000072241640 463486280 /nfs/dbraw/zinc/48/62/80/463486280.db2.gz QWOALNAZKAEQEY-IAGOWNOFSA-N 0 0 334.391 2.127 40 0 EEABRN CC[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)c1cccs1 ZINC000151443722 463532045 /nfs/dbraw/zinc/53/20/45/463532045.db2.gz XUNGOXCZIFSDGP-GRYCIOLGSA-N 0 0 326.418 2.171 40 0 EEABRN O=C(C1CC1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 ZINC000042380561 463561641 /nfs/dbraw/zinc/56/16/41/463561641.db2.gz LNQNYZMMCROJKS-UHFFFAOYSA-N 0 0 339.399 2.068 40 0 EEABRN O=C(CC1CC1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108526454 463610341 /nfs/dbraw/zinc/61/03/41/463610341.db2.gz VZCOZEDMWPTVKF-UHFFFAOYSA-N 0 0 348.487 2.444 40 0 EEABRN Cc1csc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 ZINC000108527651 463610375 /nfs/dbraw/zinc/61/03/75/463610375.db2.gz QMJKQZCQMYVOOG-IRXDYDNUSA-N 0 0 344.484 2.322 40 0 EEABRN C[C@@H](CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000043701059 463652664 /nfs/dbraw/zinc/65/26/64/463652664.db2.gz JSMORLDWBMPJHE-BHYGNILZSA-N 0 0 340.423 2.248 40 0 EEABRN Cc1ccc(NC(=O)NCc2cccc(F)c2)cc1-n1cnnn1 ZINC000044246303 463671599 /nfs/dbraw/zinc/67/15/99/463671599.db2.gz MAHMUXAOWLENLT-UHFFFAOYSA-N 0 0 326.335 2.432 40 0 EEABRN C[C@@H](C(=O)NCc1ccncc1)n1cc(COc2ccccc2)nn1 ZINC000257173034 463756147 /nfs/dbraw/zinc/75/61/47/463756147.db2.gz AYEHISYGIBOKAE-AWEZNQCLSA-N 0 0 337.383 2.130 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC000257173055 463756359 /nfs/dbraw/zinc/75/63/59/463756359.db2.gz BTTALTVUSHASIP-UHFFFAOYSA-N 0 0 342.399 2.328 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cccn3C)CC2)cn1 ZINC000257220919 463756457 /nfs/dbraw/zinc/75/64/57/463756457.db2.gz DMTISQGDSQFDDT-CQSZACIVSA-N 0 0 327.432 2.342 40 0 EEABRN CNc1cc(CC[C@@H]2CN(c3nc(C)cc(C)n3)CCO2)ccn1 ZINC000257228789 463758570 /nfs/dbraw/zinc/75/85/70/463758570.db2.gz FVFISLNLJYHECB-MRXNPFEDSA-N 0 0 327.432 2.368 40 0 EEABRN CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Cc2ccnc(C)c2)CC1 ZINC000257280162 463760006 /nfs/dbraw/zinc/76/00/06/463760006.db2.gz OJSXPBQBEYHVKG-GOSISDBHSA-N 0 0 329.444 2.182 40 0 EEABRN C[C@@H]1CN(CCN(C)C(=O)Nc2ccc3c(c2)N(C)CC3)C[C@H](C)O1 ZINC000193955681 463763575 /nfs/dbraw/zinc/76/35/75/463763575.db2.gz FYUWTSKAQYMKNG-GASCZTMLSA-N 0 0 346.475 2.252 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)nc(C)n1 ZINC000257294460 463766328 /nfs/dbraw/zinc/76/63/28/463766328.db2.gz QUGXJUKJOHZHOC-QGZVFWFLSA-N 0 0 337.383 2.183 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)ccn1 ZINC000257296891 463767781 /nfs/dbraw/zinc/76/77/81/463767781.db2.gz REWQBRJGGAMLFK-OAHLLOKOSA-N 0 0 326.400 2.303 40 0 EEABRN Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3ccccn3)C2)s1 ZINC000257302741 463768797 /nfs/dbraw/zinc/76/87/97/463768797.db2.gz SECXWRPFORQGDD-CQSZACIVSA-N 0 0 330.457 2.483 40 0 EEABRN COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2cnccn2)c1 ZINC000257305722 463770101 /nfs/dbraw/zinc/77/01/01/463770101.db2.gz SRENMCOGYLATMZ-MRXNPFEDSA-N 0 0 335.367 2.079 40 0 EEABRN CCc1noc(CCC(=O)N2CCCC[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257313384 463773628 /nfs/dbraw/zinc/77/36/28/463773628.db2.gz USEHJBAUMOBPHV-UGSOOPFHSA-N 0 0 348.447 2.005 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)cs1 ZINC000257334982 463782462 /nfs/dbraw/zinc/78/24/62/463782462.db2.gz YICGQDQZGMRSPU-KRWDZBQOSA-N 0 0 346.456 2.033 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)ccn1 ZINC000257334014 463782776 /nfs/dbraw/zinc/78/27/76/463782776.db2.gz YEDKMVKVAZRYLH-MRXNPFEDSA-N 0 0 327.432 2.462 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H](Cc3nccnc3NC)C2)on1 ZINC000257340841 463785482 /nfs/dbraw/zinc/78/54/82/463785482.db2.gz ZHSJIVBISHEISR-GFCCVEGCSA-N 0 0 329.404 2.164 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000260897654 463792751 /nfs/dbraw/zinc/79/27/51/463792751.db2.gz JQLMGCARDCORFO-GFCCVEGCSA-N 0 0 344.502 2.190 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c(=O)c1 ZINC000194823819 463935566 /nfs/dbraw/zinc/93/55/66/463935566.db2.gz INTDFDSHLQYQAC-QGZVFWFLSA-N 0 0 338.407 2.421 40 0 EEABRN O=C(COc1cccc(Cl)c1F)NC(=O)NCC(F)(F)F ZINC000186708545 464054275 /nfs/dbraw/zinc/05/42/75/464054275.db2.gz KPALLMAFDBFURW-UHFFFAOYSA-N 0 0 328.649 2.246 40 0 EEABRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2cncc2C1 ZINC000195563125 464076975 /nfs/dbraw/zinc/07/69/75/464076975.db2.gz RVPHDZDELWQOQM-HKUYNNGSSA-N 0 0 341.455 2.491 40 0 EEABRN Cc1cc(Br)cc(S(=O)(=O)N(C)c2nncs2)c1 ZINC000195571775 464079051 /nfs/dbraw/zinc/07/90/51/464079051.db2.gz QGMXDBROEVYFSB-UHFFFAOYSA-N 0 0 348.247 2.434 40 0 EEABRN O=C1O[C@H](Cn2cnc3ccsc3c2=O)CN1c1ccccc1 ZINC000195565858 464079068 /nfs/dbraw/zinc/07/90/68/464079068.db2.gz ZLJKYRZVPWQNQM-GFCCVEGCSA-N 0 0 327.365 2.483 40 0 EEABRN COc1ncnc2c1CN(C(=O)c1cccnc1C(F)(F)F)CC2 ZINC000195578058 464080067 /nfs/dbraw/zinc/08/00/67/464080067.db2.gz GKMNFZRXPRPNKR-UHFFFAOYSA-N 0 0 338.289 2.098 40 0 EEABRN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222939465 464134740 /nfs/dbraw/zinc/13/47/40/464134740.db2.gz DBPBJVURGQSJJE-GFCCVEGCSA-N 0 0 342.461 2.155 40 0 EEABRN CCc1ccccc1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 ZINC000223037033 464135343 /nfs/dbraw/zinc/13/53/43/464135343.db2.gz UMVGSHORDNPNPB-UHFFFAOYSA-N 0 0 334.397 2.157 40 0 EEABRN COc1cccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1 ZINC000223336395 464140961 /nfs/dbraw/zinc/14/09/61/464140961.db2.gz VKXKFTRUZFXTOJ-UHFFFAOYSA-N 0 0 348.380 2.249 40 0 EEABRN Cc1cccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)c1 ZINC000223616290 464145082 /nfs/dbraw/zinc/14/50/82/464145082.db2.gz FYSUDOOHZQSNIP-UHFFFAOYSA-N 0 0 336.457 2.378 40 0 EEABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 ZINC000223711542 464146680 /nfs/dbraw/zinc/14/66/80/464146680.db2.gz VZBXFFXCUUVZAW-HOTGVXAUSA-N 0 0 344.440 2.335 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccccc2C)n1 ZINC000224181226 464148217 /nfs/dbraw/zinc/14/82/17/464148217.db2.gz FFJMBGIDQGFDEM-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CCOc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000224197161 464149629 /nfs/dbraw/zinc/14/96/29/464149629.db2.gz IRHTVNBREXBEQQ-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nn1 ZINC000225421866 464158221 /nfs/dbraw/zinc/15/82/21/464158221.db2.gz IFAGFISSZNGVTL-HNNXBMFYSA-N 0 0 336.395 2.489 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@H](Oc2cccnn2)C1 ZINC000225411643 464158251 /nfs/dbraw/zinc/15/82/51/464158251.db2.gz WBZLWFBZEYFCMD-VIFPVBQESA-N 0 0 338.161 2.126 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 ZINC000225423105 464158671 /nfs/dbraw/zinc/15/86/71/464158671.db2.gz DMIXBXIABVAIFM-GOEBONIOSA-N 0 0 327.384 2.232 40 0 EEABRN O=C(N[C@@H]1CCC(=O)NC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000225438807 464160253 /nfs/dbraw/zinc/16/02/53/464160253.db2.gz OQEHPLJKPTYNQY-GFCCVEGCSA-N 0 0 326.318 2.132 40 0 EEABRN Cn1ncc2c1nc(N1CC[C@@H](Cc3ccc(F)c(F)c3)C1)nc2N ZINC000225515136 464167348 /nfs/dbraw/zinc/16/73/48/464167348.db2.gz VFEGMESLRSERIM-NSHDSACASA-N 0 0 344.369 2.293 40 0 EEABRN NC(=O)c1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)n[nH]1 ZINC000225554802 464170221 /nfs/dbraw/zinc/17/02/21/464170221.db2.gz OBYCQUZZCJSPGO-OAHLLOKOSA-N 0 0 346.818 2.458 40 0 EEABRN C[C@H]1C(=O)NCCCN1C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000225561860 464171989 /nfs/dbraw/zinc/17/19/89/464171989.db2.gz PUHLRAFTVCXVPA-LBPRGKRZSA-N 0 0 339.386 2.208 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)NC1CCN(c2cc(C)ccc2F)CC1 ZINC000225676389 464179309 /nfs/dbraw/zinc/17/93/09/464179309.db2.gz BQYROAORESXXBE-ZDUSSCGKSA-N 0 0 344.452 2.057 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)C[C@H]1C ZINC000225697905 464181251 /nfs/dbraw/zinc/18/12/51/464181251.db2.gz TXSGWJPGYURZQL-FCIKYMEBSA-N 0 0 346.427 2.392 40 0 EEABRN CCS(=O)(=O)CCn1ccc(NC(=O)c2occc2C(C)C)n1 ZINC000225810660 464181681 /nfs/dbraw/zinc/18/16/81/464181681.db2.gz NKZXHXABQLXTDM-UHFFFAOYSA-N 0 0 339.417 2.287 40 0 EEABRN CC(C)C(=O)N1CCN(c2ccc(-n3cnnc3)cc2Cl)CC1 ZINC000226280581 464183438 /nfs/dbraw/zinc/18/34/38/464183438.db2.gz OIZVWHWAUPVIIF-UHFFFAOYSA-N 0 0 333.823 2.225 40 0 EEABRN C[C@H]1CC[C@H](Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C1 ZINC000188095694 464198964 /nfs/dbraw/zinc/19/89/64/464198964.db2.gz YFGAUQQTAAEJRA-ZFWWWQNUSA-N 0 0 338.473 2.433 40 0 EEABRN CCc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(O)c1 ZINC000188479001 464291496 /nfs/dbraw/zinc/29/14/96/464291496.db2.gz PXCIQWJEYHGLIW-QGZVFWFLSA-N 0 0 343.427 2.274 40 0 EEABRN CCc1cccc(CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)c1 ZINC000189112776 464436472 /nfs/dbraw/zinc/43/64/72/464436472.db2.gz ZUDDMOZUIFXECR-SFHVURJKSA-N 0 0 326.400 2.340 40 0 EEABRN Cc1ccsc1C(=O)NCCN1Cc2cc(F)ccc2OCC1=O ZINC000238927647 464440155 /nfs/dbraw/zinc/44/01/55/464440155.db2.gz UUELHFQRUYQLMM-UHFFFAOYSA-N 0 0 348.399 2.347 40 0 EEABRN CC(=O)c1cnccc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000241588215 464453651 /nfs/dbraw/zinc/45/36/51/464453651.db2.gz PAWQMLFLEIWXGF-UHFFFAOYSA-N 0 0 344.415 2.151 40 0 EEABRN Cc1nc(CN2CCCN(c3ncnc(N)c3Cl)CC2)cs1 ZINC000241588142 464453785 /nfs/dbraw/zinc/45/37/85/464453785.db2.gz OZZRTFRQAYGRFQ-UHFFFAOYSA-N 0 0 338.868 2.189 40 0 EEABRN CC(C)N1C(=O)C[C@@H](NC(=O)c2c(F)cccc2C(F)(F)F)C1=O ZINC000190577956 464679965 /nfs/dbraw/zinc/67/99/65/464679965.db2.gz XYNHGUAXLSGDKF-SNVBAGLBSA-N 0 0 346.280 2.110 40 0 EEABRN CN1N=C(C(=O)Nc2cc(Br)c(F)cc2F)CCC1=O ZINC000190596875 464684414 /nfs/dbraw/zinc/68/44/14/464684414.db2.gz XGZYSPOLZMEALJ-UHFFFAOYSA-N 0 0 346.131 2.274 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC000247832270 464708979 /nfs/dbraw/zinc/70/89/79/464708979.db2.gz LLCKFBJSGXELQI-HYVNUMGLSA-N 0 0 339.395 2.175 40 0 EEABRN Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)cc1 ZINC000248141629 464734351 /nfs/dbraw/zinc/73/43/51/464734351.db2.gz FSHQPCLPYAOHGP-KRWDZBQOSA-N 0 0 349.394 2.085 40 0 EEABRN CCCC(=O)N[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248839542 464808776 /nfs/dbraw/zinc/80/87/76/464808776.db2.gz KVHFDBRMBOHHAD-WBVHZDCISA-N 0 0 329.444 2.321 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@H]3CCOc2cccnc2)cn1 ZINC000249681116 464903297 /nfs/dbraw/zinc/90/32/97/464903297.db2.gz BHRFFUDPCLXLOS-QGZVFWFLSA-N 0 0 342.443 2.358 40 0 EEABRN Cc1cc(C)cc(OCCNC(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000252492349 464968437 /nfs/dbraw/zinc/96/84/37/464968437.db2.gz MJPSGLXWINAVAV-MRXNPFEDSA-N 0 0 345.443 2.183 40 0 EEABRN COCC[C@H](CO)NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000252503951 464972804 /nfs/dbraw/zinc/97/28/04/464972804.db2.gz VHKKGSGPBQVVAA-HNFVBEJKSA-N 0 0 326.824 2.283 40 0 EEABRN COC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000252527777 464980104 /nfs/dbraw/zinc/98/01/04/464980104.db2.gz DIVCYKUQQIIQHE-BBRMVZONSA-N 0 0 348.353 2.399 40 0 EEABRN Cc1ccccc1OCCCNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000253393004 464997652 /nfs/dbraw/zinc/99/76/52/464997652.db2.gz MOGMBNMVZAIPGG-MRXNPFEDSA-N 0 0 345.443 2.264 40 0 EEABRN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418306 465006185 /nfs/dbraw/zinc/00/61/85/465006185.db2.gz GEIQWNFGFPQSCJ-QWRGUYRKSA-N 0 0 344.337 2.037 40 0 EEABRN CCC1(CC)CCCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 ZINC000253420181 465007830 /nfs/dbraw/zinc/00/78/30/465007830.db2.gz GFCKNHALZHDOHE-UHFFFAOYSA-N 0 0 346.435 2.450 40 0 EEABRN O=C1CCCN1CC[C@H]1CN(c2nccn3cnnc23)c2ccccc21 ZINC000253423130 465009211 /nfs/dbraw/zinc/00/92/11/465009211.db2.gz NRXGNNZIEGYXNS-AWEZNQCLSA-N 0 0 348.410 2.372 40 0 EEABRN Cc1cc(N2CC[C@@H](Nc3ncc(C(F)(F)F)s3)C2=O)n(C)n1 ZINC000253431389 465014380 /nfs/dbraw/zinc/01/43/80/465014380.db2.gz RLRRBDPSHSLCNU-MRVPVSSYSA-N 0 0 345.350 2.421 40 0 EEABRN Cc1ccc(CN2CC3(C2)C[C@H](Oc2nccc(C)n2)CCO3)o1 ZINC000253478517 465015920 /nfs/dbraw/zinc/01/59/20/465015920.db2.gz LMLSZJXHLQNXPU-OAHLLOKOSA-N 0 0 329.400 2.499 40 0 EEABRN Cc1nnc2c3ccccc3c(NCc3cccnc3N(C)C)nn12 ZINC000330033385 465512091 /nfs/dbraw/zinc/51/20/91/465512091.db2.gz ZUZRJCLUQCRUAA-UHFFFAOYSA-N 0 0 333.399 2.659 40 0 EEABRN Cn1cc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)nn1 ZINC000331626023 466168704 /nfs/dbraw/zinc/16/87/04/466168704.db2.gz PCCXDPRHJNOLSF-RISCZKNCSA-N 0 0 326.322 2.142 40 0 EEABRN CC[C@H](C)n1nc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1C ZINC000331680278 466194022 /nfs/dbraw/zinc/19/40/22/466194022.db2.gz SOEPOHWRQBVHPA-UXEPBGEESA-N 0 0 328.416 2.942 40 0 EEABRN CC1(S(=O)(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000332179876 466430925 /nfs/dbraw/zinc/43/09/25/466430925.db2.gz WJHQEHVXRMJMSN-UHFFFAOYSA-N 0 0 348.262 2.126 40 0 EEABRN O=C([C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCOCC1 ZINC000306138915 466493457 /nfs/dbraw/zinc/49/34/57/466493457.db2.gz SKQRAXVXWDIWEB-CYBMUJFWSA-N 0 0 329.375 2.180 40 0 EEABRN C[C@H](C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCN(C)CC1 ZINC000332298543 466497252 /nfs/dbraw/zinc/49/72/52/466497252.db2.gz MXRDICDUZNBXFQ-CYBMUJFWSA-N 0 0 347.850 2.100 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)N[C@@H](C)c1cccs1 ZINC000332799424 466569146 /nfs/dbraw/zinc/56/91/46/466569146.db2.gz ZSZAGIYMMVNUOV-SMDDNHRTSA-N 0 0 348.472 2.339 40 0 EEABRN COC(=O)C1=C(C)[C@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccccc1 ZINC000408723059 466681861 /nfs/dbraw/zinc/68/18/61/466681861.db2.gz ZELMCXWPXAKWTR-IBGZPJMESA-N 0 0 343.379 2.011 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1C ZINC000408588139 466681950 /nfs/dbraw/zinc/68/19/50/466681950.db2.gz CPDHCOFCOUBDJW-UHFFFAOYSA-N 0 0 332.425 2.142 40 0 EEABRN O=C(CNC(=O)Oc1ccccc1)OCC(=O)c1ccc(F)cc1 ZINC000408998830 466684259 /nfs/dbraw/zinc/68/42/59/466684259.db2.gz CIKUCJQWBVHTAU-UHFFFAOYSA-N 0 0 331.299 2.340 40 0 EEABRN CCc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCC2)cc1 ZINC000409104203 466685822 /nfs/dbraw/zinc/68/58/22/466685822.db2.gz GNQXCXFITRWYKB-UHFFFAOYSA-N 0 0 346.456 2.089 40 0 EEABRN CC1=C(Br)CN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000390835351 467414866 /nfs/dbraw/zinc/41/48/66/467414866.db2.gz LOEHLRCUBNTKTO-UHFFFAOYSA-N 0 0 337.283 2.482 40 0 EEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)n1 ZINC000575405062 468141614 /nfs/dbraw/zinc/14/16/14/468141614.db2.gz RFNSESZKFZJVDO-GDBMZVCRSA-N 0 0 348.468 2.030 40 0 EEABRN Cc1nc[nH]c1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 ZINC000575406689 468142473 /nfs/dbraw/zinc/14/24/73/468142473.db2.gz ZRKPJOKISQIUHZ-HNNXBMFYSA-N 0 0 337.383 2.018 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)s1 ZINC000575604652 468145736 /nfs/dbraw/zinc/14/57/36/468145736.db2.gz BVGIOCYQLMWZCF-GFCCVEGCSA-N 0 0 336.392 2.373 40 0 EEABRN O=C(NC1CCN(c2cnsn2)CC1)[C@H]1CCc2ccccc2O1 ZINC000575617148 468150827 /nfs/dbraw/zinc/15/08/27/468150827.db2.gz ZNRQKMGFIOWEQX-OAHLLOKOSA-N 0 0 344.440 2.017 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H]2C ZINC000585098510 468966761 /nfs/dbraw/zinc/96/67/61/468966761.db2.gz YYAMDFAYBJSPGS-CQSZACIVSA-N 0 0 344.415 2.105 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(Cc2cccc(OC)c2)C1 ZINC000585099029 468967676 /nfs/dbraw/zinc/96/76/76/468967676.db2.gz DAMRHMFVCUSMDI-INIZCTEOSA-N 0 0 327.428 2.265 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1Cl)C2 ZINC000585102691 468970766 /nfs/dbraw/zinc/97/07/66/468970766.db2.gz AYBAKEDFMQZDME-CQSZACIVSA-N 0 0 343.876 2.366 40 0 EEABRN COCC(=O)N1CCC(NC(=O)/C=C(\C)c2ccccc2C)CC1 ZINC000585139856 468989115 /nfs/dbraw/zinc/98/91/15/468989115.db2.gz VNRSRNDRQDGGDP-NTCAYCPXSA-N 0 0 330.428 2.152 40 0 EEABRN CCOC(=O)c1cnc(N[C@H]2CCc3ccccc3NC2=O)nc1C ZINC000585141178 468990630 /nfs/dbraw/zinc/99/06/30/468990630.db2.gz QWSWLCFZGIKAET-HNNXBMFYSA-N 0 0 340.383 2.327 40 0 EEABRN CC(C)(C)n1nnc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000585141914 468991268 /nfs/dbraw/zinc/99/12/68/468991268.db2.gz IJBDFQXDEWMPCO-UONOGXRCSA-N 0 0 329.404 2.078 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCO[C@H](c4cnccn4)C3)c2c1 ZINC000585180727 468996034 /nfs/dbraw/zinc/99/60/34/468996034.db2.gz TZGZOMOPGJEVOG-KRWDZBQOSA-N 0 0 338.367 2.180 40 0 EEABRN CC(C)n1ccnc1CN1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585269244 468997782 /nfs/dbraw/zinc/99/77/82/468997782.db2.gz MTMTWOMGXIEXIC-IBGZPJMESA-N 0 0 329.444 2.270 40 0 EEABRN CNc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)ccn1 ZINC000585275427 468998815 /nfs/dbraw/zinc/99/88/15/468998815.db2.gz AOXJSLFEDRKSDJ-ROUUACIJSA-N 0 0 339.439 2.640 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2cc(C)no2)C1 ZINC000585276356 469000836 /nfs/dbraw/zinc/00/08/36/469000836.db2.gz IWUQMWAGLNYSBA-KRWDZBQOSA-N 0 0 334.347 2.432 40 0 EEABRN O=C(CCCn1ccnc1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585276668 469001725 /nfs/dbraw/zinc/00/17/25/469001725.db2.gz OQSWOAUWPNJQBO-SJLPKXTDSA-N 0 0 345.418 2.255 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585278348 469003844 /nfs/dbraw/zinc/00/38/44/469003844.db2.gz CHDQLXRYCRSOJB-AEFFLSMTSA-N 0 0 345.418 2.324 40 0 EEABRN CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000585281449 469007237 /nfs/dbraw/zinc/00/72/37/469007237.db2.gz XOZSENJEFHAJJE-IRXDYDNUSA-N 0 0 336.407 2.248 40 0 EEABRN COC(C)(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585283663 469007469 /nfs/dbraw/zinc/00/74/69/469007469.db2.gz CPXFSVJUBYOGBL-KCPJHIHWSA-N 0 0 341.835 2.400 40 0 EEABRN Cn1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cn1 ZINC000585284597 469008473 /nfs/dbraw/zinc/00/84/73/469008473.db2.gz KFQDVHSWFFPSCJ-HFBAOOFYSA-N 0 0 349.818 2.022 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3cocn3)[C@H]2O)cc1 ZINC000585286529 469009093 /nfs/dbraw/zinc/00/90/93/469009093.db2.gz ZHCHKRZPKZZXRH-KBRIMQKVSA-N 0 0 330.384 2.321 40 0 EEABRN O=C(NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O)c1cocn1 ZINC000585285681 469009360 /nfs/dbraw/zinc/00/93/60/469009360.db2.gz QKPMUZCELJXNON-VCTAVGKDSA-N 0 0 336.775 2.276 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cc(C)no2)C[C@]12C[C@@H](c1ccccc1)CO2 ZINC000585294130 469011027 /nfs/dbraw/zinc/01/10/27/469011027.db2.gz PQYCVFQNMIAOOS-SZVBFZGTSA-N 0 0 342.395 2.397 40 0 EEABRN CCS(=O)(=O)C1CN(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000664802364 471865363 /nfs/dbraw/zinc/86/53/63/471865363.db2.gz OYCYWIUOOHOWQL-UONOGXRCSA-N 0 0 342.848 2.024 40 0 EEABRN CCCC(=O)NCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000077648458 519872023 /nfs/dbraw/zinc/87/20/23/519872023.db2.gz HVSYJQFUKARORV-LLVKDONJSA-N 0 0 333.215 2.059 40 0 EEABRN O=C(NCCc1ccccc1OC(F)F)N[C@H]1CCCC[C@@H]1O ZINC000190249721 534482751 /nfs/dbraw/zinc/48/27/51/534482751.db2.gz FYMQRXIIABAKLR-STQMWFEESA-N 0 0 328.359 2.433 40 0 EEABRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC[C@@H]1CCCO1 ZINC000189178285 534791699 /nfs/dbraw/zinc/79/16/99/534791699.db2.gz PNISYISJJOPHPV-BBRMVZONSA-N 0 0 327.384 2.200 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941220 529171555 /nfs/dbraw/zinc/17/15/55/529171555.db2.gz QOWSKHBOJBRDGK-QWRGUYRKSA-N 0 0 332.853 2.409 40 0 EEABRN CCCO[C@H]1CCCN(C(=O)c2cccc(-c3cnc(N)nc3)n2)C1 ZINC000257218109 535240882 /nfs/dbraw/zinc/24/08/82/535240882.db2.gz DBXQVKFHNMTPQE-AWEZNQCLSA-N 0 0 341.415 2.152 40 0 EEABRN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000226860560 535417233 /nfs/dbraw/zinc/41/72/33/535417233.db2.gz FDPQZGBKPVHODM-UHFFFAOYSA-N 0 0 344.392 2.094 40 0 EEABRN CNc1ncc(CN2CCC[C@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200572 536423656 /nfs/dbraw/zinc/42/36/56/536423656.db2.gz ADVUBCYMWGHWHG-GOSISDBHSA-N 0 0 341.463 2.194 40 0 EEABRN CC[C@H](C)NC(=O)Cn1c(=O)cc(C)nc1-c1ccc(OC)cc1 ZINC000067198533 1354092806 /nfs/dbraw/zinc/09/28/06/1354092806.db2.gz IHAHXFMTRYOKTE-LBPRGKRZSA-N 0 0 329.400 2.142 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3COCCC3=O)c3cc(F)cc1c32 ZINC001740816677 1406109520 /nfs/dbraw/zinc/10/95/20/1406109520.db2.gz NMUQFJZKXLQPMN-LIRRHRJNSA-N 0 0 345.370 2.161 40 0 EEABRN O=C(OC[C@H]1O[C@H](O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000000402444 1110416669 /nfs/dbraw/zinc/41/66/69/1110416669.db2.gz AKCFUIMCQPPMTA-ZACQAIPSSA-N 0 0 342.347 2.176 40 0 EEABRN CCn1cc(C(=O)NC2CCN(c3ccc(Cl)cc3)CC2)nn1 ZINC001548449116 1124292613 /nfs/dbraw/zinc/29/26/13/1124292613.db2.gz WKKDFJIEUOOWJJ-UHFFFAOYSA-N 0 0 333.823 2.350 40 0 EEABRN Cc1ccnc(C2CCN(C(=O)N[C@@H]3CC34CCOCC4)CC2)n1 ZINC001548453973 1124295761 /nfs/dbraw/zinc/29/57/61/1124295761.db2.gz ASHFJBVWNIPBCR-OAHLLOKOSA-N 0 0 330.432 2.243 40 0 EEABRN O=C(Cn1ccc2ccccc21)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000050425014 214056439 /nfs/dbraw/zinc/05/64/39/214056439.db2.gz XJRKAFQTWUYALE-OAHLLOKOSA-N 0 0 325.412 2.159 40 0 EEABRN CN1N=C(C(=O)OCc2ccc(Br)cc2)CCC1=O ZINC000053232451 214171069 /nfs/dbraw/zinc/17/10/69/214171069.db2.gz SHPZMEURXUPRCN-UHFFFAOYSA-N 0 0 325.162 2.101 40 0 EEABRN CCOc1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000055767860 214340860 /nfs/dbraw/zinc/34/08/60/214340860.db2.gz OYRJAOVOHJZPFK-IYBDPMFKSA-N 0 0 342.395 2.365 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(C)no2)C1 ZINC000049482581 214011064 /nfs/dbraw/zinc/01/10/64/214011064.db2.gz JURVQJUSCXMPPY-UHFFFAOYSA-N 0 0 336.779 2.078 40 0 EEABRN Cc1cc(S(=O)(=O)NCCCn2ccnc2)c(Cl)cc1Cl ZINC000101370776 219125177 /nfs/dbraw/zinc/12/51/77/219125177.db2.gz WLWTYFLZHCATPB-UHFFFAOYSA-O 0 0 349.263 2.286 40 0 EEABRN CCCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2 ZINC000004158964 210134501 /nfs/dbraw/zinc/13/45/01/210134501.db2.gz FFEPOHSPOXJNTB-MRVPVSSYSA-N 0 0 325.386 2.476 40 0 EEABRN COc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)cc1F ZINC000047364384 213845862 /nfs/dbraw/zinc/84/58/62/213845862.db2.gz RFUHUYJVYABOPN-UHFFFAOYSA-N 0 0 338.356 2.500 40 0 EEABRN Cc1noc(C)c1CC(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000066733311 215074511 /nfs/dbraw/zinc/07/45/11/215074511.db2.gz HPWKGIWNSMIQLV-OAHLLOKOSA-N 0 0 344.415 2.453 40 0 EEABRN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000044388502 213621839 /nfs/dbraw/zinc/62/18/39/213621839.db2.gz MWGMEZSORMEWQK-UHFFFAOYSA-N 0 0 330.409 2.358 40 0 EEABRN Cn1nc(C(=O)Nc2cccnc2)c(F)c1NC(=O)c1ccccc1 ZINC000041070571 213414271 /nfs/dbraw/zinc/41/42/71/213414271.db2.gz SEPCORMNPONIMZ-UHFFFAOYSA-N 0 0 339.330 2.459 40 0 EEABRN CC(C)CNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949789 535150346 /nfs/dbraw/zinc/15/03/46/535150346.db2.gz DWIQQXOACQPPFR-ZDUSSCGKSA-N 0 0 332.853 2.093 40 0 EEABRN COc1ccc(CNC(=O)NC[C@H](O)C2CCCCC2)cc1OC ZINC000069221548 215371096 /nfs/dbraw/zinc/37/10/96/215371096.db2.gz HWPRLGLHVUGORN-HNNXBMFYSA-N 0 0 336.432 2.444 40 0 EEABRN CN1CCc2nc(NC(=O)[C@H]3COc4ccccc4C3)sc2C1 ZINC000040468151 213310994 /nfs/dbraw/zinc/31/09/94/213310994.db2.gz GIOKOERPYULINW-GFCCVEGCSA-N 0 0 329.425 2.321 40 0 EEABRN CCCC(=O)c1cc(-c2cc(C(=O)CCC)nc(N)n2)nc(N)n1 ZINC000001588456 209763218 /nfs/dbraw/zinc/76/32/18/209763218.db2.gz XFWCIYXHEOZYFG-UHFFFAOYSA-N 0 0 328.376 2.064 40 0 EEABRN CCS(=O)(=O)CCN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187860206 236319562 /nfs/dbraw/zinc/31/95/62/236319562.db2.gz DXKLODDQWXWDIJ-CQSZACIVSA-N 0 0 335.828 2.287 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccccn2)[C@H]1c1cccc(F)c1 ZINC000072241898 216080426 /nfs/dbraw/zinc/08/04/26/216080426.db2.gz QGILMILHDIAOQK-FUHWJXTLSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)Cc1ccc(F)cc1 ZINC000072325024 216151173 /nfs/dbraw/zinc/15/11/73/216151173.db2.gz PJZLMCNKILVULA-ZDUSSCGKSA-N 0 0 343.402 2.009 40 0 EEABRN Cc1nc([C@@H]2CCCN2CCOc2ccc(F)cc2)ncc1C(N)=O ZINC000072345429 216159226 /nfs/dbraw/zinc/15/92/26/216159226.db2.gz AVUNCIUOBRZVRV-INIZCTEOSA-N 0 0 344.390 2.239 40 0 EEABRN C[C@@H](C(=O)NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 ZINC000072346818 216161131 /nfs/dbraw/zinc/16/11/31/216161131.db2.gz RVKBMZHORYXZBX-CQSZACIVSA-N 0 0 337.379 2.423 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072362308 216168355 /nfs/dbraw/zinc/16/83/55/216168355.db2.gz PURMBJNKMHBTNH-NSHDSACASA-N 0 0 333.417 2.029 40 0 EEABRN Cc1ncccc1Oc1cncc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072361990 216168471 /nfs/dbraw/zinc/16/84/71/216168471.db2.gz XMHBKRQCFOBBPD-ZDUSSCGKSA-N 0 0 334.401 2.069 40 0 EEABRN CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)COC)C2)n1 ZINC000072378912 216181127 /nfs/dbraw/zinc/18/11/27/216181127.db2.gz OJOBRAIHFNKRIB-AWEZNQCLSA-N 0 0 328.416 2.182 40 0 EEABRN CCS(=O)(=O)N1CC[C@@H](c2cc(Nc3ccccn3)nc(C)n2)C1 ZINC000072383739 216183514 /nfs/dbraw/zinc/18/35/14/216183514.db2.gz DRIKNLOXYLRDBY-CYBMUJFWSA-N 0 0 347.444 2.063 40 0 EEABRN Cc1cccc(C[C@H]2COCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072388199 216188333 /nfs/dbraw/zinc/18/83/33/216188333.db2.gz JYIJJQAGGLIPJL-QGZVFWFLSA-N 0 0 340.423 2.487 40 0 EEABRN CC(=O)N1CC[C@H]1c1cc(N(C)CCc2ccccn2)nc(C)n1 ZINC000072387193 216186308 /nfs/dbraw/zinc/18/63/08/216186308.db2.gz NZVKTPOCOSGLBS-KRWDZBQOSA-N 0 0 325.416 2.152 40 0 EEABRN C[C@@H](C(=O)NC1(c2cccc(F)c2)CCOCC1)N1CCCCC1=O ZINC000072533689 216270459 /nfs/dbraw/zinc/27/04/59/216270459.db2.gz VGSPGHUTJIIUAV-AWEZNQCLSA-N 0 0 348.418 2.349 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)Cc1ccc(Br)s1 ZINC000072566454 216276159 /nfs/dbraw/zinc/27/61/59/216276159.db2.gz SIIZWHUMCLFEDE-SECBINFHSA-N 0 0 345.262 2.180 40 0 EEABRN CCOC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2C)CC1 ZINC000218964467 241356216 /nfs/dbraw/zinc/35/62/16/241356216.db2.gz MGPQZXJPTDWLPI-UHFFFAOYSA-N 0 0 334.416 2.291 40 0 EEABRN CN(C(=O)c1cnc(OCC2CC2)cn1)[C@@H]1CCCc2c1cnn2C ZINC000225461976 241875693 /nfs/dbraw/zinc/87/56/93/241875693.db2.gz LMWYBUMUTBTMND-OAHLLOKOSA-N 0 0 341.415 2.149 40 0 EEABRN O=S(=O)(N[C@@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000225715543 242001630 /nfs/dbraw/zinc/00/16/30/242001630.db2.gz WKGNWJUXRXRFCX-SNVBAGLBSA-N 0 0 336.182 2.104 40 0 EEABRN S=C(NCc1ccccc1CN1CCOCC1)Nc1cccnc1 ZINC000225779024 242032229 /nfs/dbraw/zinc/03/22/29/242032229.db2.gz NZWQVXBLGHYKHU-UHFFFAOYSA-N 0 0 342.468 2.400 40 0 EEABRN C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCOCC1 ZINC000227152248 242123785 /nfs/dbraw/zinc/12/37/85/242123785.db2.gz UVMSEWPKIPSUBM-GFCCVEGCSA-N 0 0 335.791 2.152 40 0 EEABRN CCOC(=O)c1nnc2c(-c3ccccc3)c(COC)nn2c1C ZINC000021006129 212198777 /nfs/dbraw/zinc/19/87/77/212198777.db2.gz BCOSMWWQAPHTNT-UHFFFAOYSA-N 0 0 326.356 2.423 40 0 EEABRN CC1=CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000241776764 243000193 /nfs/dbraw/zinc/00/01/93/243000193.db2.gz RSGBDCBPOWNWOA-MRXNPFEDSA-N 0 0 348.468 2.266 40 0 EEABRN Cc1cc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n2ncnc2n1 ZINC000241795458 243003035 /nfs/dbraw/zinc/00/30/35/243003035.db2.gz RZITXWKSPDFHDN-QGZVFWFLSA-N 0 0 343.818 2.270 40 0 EEABRN CCCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000243193014 243024437 /nfs/dbraw/zinc/02/44/37/243024437.db2.gz KATSHWHWSMSCQG-UHFFFAOYSA-N 0 0 348.443 2.472 40 0 EEABRN O=C(NCCc1cccc(Cl)c1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000252488894 243790725 /nfs/dbraw/zinc/79/07/25/243790725.db2.gz JBGISCCHLUYFQZ-CQSZACIVSA-N 0 0 335.835 2.383 40 0 EEABRN CC(=O)N1CCC(C)(c2cc(C(=O)N3CCC[C@@H]3C)nc(C)n2)CC1 ZINC000257217537 244172050 /nfs/dbraw/zinc/17/20/50/244172050.db2.gz CZJQGABINLPEAK-ZDUSSCGKSA-N 0 0 344.459 2.310 40 0 EEABRN COc1cccc(O[C@H]2CCN(C(=O)c3cc(C)on3)CC[C@@H]2O)c1 ZINC000257213426 244157320 /nfs/dbraw/zinc/15/73/20/244157320.db2.gz CHNRJGHTWOOSRH-IRXDYDNUSA-N 0 0 346.383 2.036 40 0 EEABRN CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2scnc2C)ccn1 ZINC000257223226 244193096 /nfs/dbraw/zinc/19/30/96/244193096.db2.gz DWLGBUUAFHHPPE-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN O=C(c1ccc(-n2ccnc2)nc1)N1CCC(c2cnccn2)CC1 ZINC000257224287 244194920 /nfs/dbraw/zinc/19/49/20/244194920.db2.gz FBDQFYWDWFQNOH-UHFFFAOYSA-N 0 0 334.383 2.077 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257220877 244183799 /nfs/dbraw/zinc/18/37/99/244183799.db2.gz DMOKMBSXTMLPFV-INIZCTEOSA-N 0 0 347.382 2.368 40 0 EEABRN CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000257261254 244347740 /nfs/dbraw/zinc/34/77/40/244347740.db2.gz LGKRIOYGWRXVRV-GOSISDBHSA-N 0 0 348.418 2.051 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)ccn1 ZINC000257263603 244356280 /nfs/dbraw/zinc/35/62/80/244356280.db2.gz LQSCEODUDNSQDP-AWEZNQCLSA-N 0 0 336.399 2.414 40 0 EEABRN O=C(c1ccc(N2CCCC2)cc1)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257265297 244358230 /nfs/dbraw/zinc/35/82/30/244358230.db2.gz LYBYOMVMUCUIPB-QGZVFWFLSA-N 0 0 326.400 2.224 40 0 EEABRN Cc1nccc([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257281290 244407616 /nfs/dbraw/zinc/40/76/16/244407616.db2.gz OOLLTTJNBNYMAN-KRWDZBQOSA-N 0 0 334.383 2.343 40 0 EEABRN CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1ccsc1 ZINC000257293891 244442141 /nfs/dbraw/zinc/44/21/41/244442141.db2.gz QRQBEBSFZBVILX-KRWDZBQOSA-N 0 0 331.441 2.247 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257305260 244477202 /nfs/dbraw/zinc/47/72/02/244477202.db2.gz SPEINPUMBVDXLV-ZDUSSCGKSA-N 0 0 342.424 2.351 40 0 EEABRN O=C(CC1(O)CCCCC1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257325660 244535301 /nfs/dbraw/zinc/53/53/01/244535301.db2.gz WTWBCHQCGJRGTM-JFIYKMOQSA-N 0 0 333.428 2.159 40 0 EEABRN COc1ccc(CCNC(=O)c2cnc(N(C)C)nc2C)cc1C ZINC000019571372 212043722 /nfs/dbraw/zinc/04/37/22/212043722.db2.gz BLCZFDGWQKIERM-UHFFFAOYSA-N 0 0 328.416 2.141 40 0 EEABRN CCC(CC)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500185 212034155 /nfs/dbraw/zinc/03/41/55/212034155.db2.gz AROAPEYZAGJOIR-KRWDZBQOSA-N 0 0 344.459 2.481 40 0 EEABRN Cc1ncsc1CNC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000078111556 217022907 /nfs/dbraw/zinc/02/29/07/217022907.db2.gz ZWUBSRWGYBPVBW-ZDUSSCGKSA-N 0 0 338.477 2.145 40 0 EEABRN COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(C)cc(=O)[nH]1 ZINC000019118117 212000935 /nfs/dbraw/zinc/00/09/35/212000935.db2.gz WHAIEFGYBVUIGD-CYBMUJFWSA-N 0 0 343.383 2.242 40 0 EEABRN CC[C@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000078548988 217072618 /nfs/dbraw/zinc/07/26/18/217072618.db2.gz QPUPFWOECYCBJT-KRWDZBQOSA-N 0 0 334.375 2.249 40 0 EEABRN CCOC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)c(C)nn2)c1C ZINC000078551920 217073668 /nfs/dbraw/zinc/07/36/68/217073668.db2.gz XWNVOUSPGZWYFZ-UHFFFAOYSA-N 0 0 331.372 2.477 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000135275447 223564427 /nfs/dbraw/zinc/56/44/27/223564427.db2.gz HRECCJHMEBUCKC-XJKSGUPXSA-N 0 0 338.423 2.285 40 0 EEABRN C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000078554013 217075371 /nfs/dbraw/zinc/07/53/71/217075371.db2.gz CBQTUIZSOIHRHJ-NPMABZOXSA-N 0 0 333.457 2.424 40 0 EEABRN O=[S@](Cc1csc(-c2ccco2)n1)Cc1nnnn1C1CC1 ZINC000078602626 217084364 /nfs/dbraw/zinc/08/43/64/217084364.db2.gz GULYVZKSAMLWRJ-QFIPXVFZSA-N 0 0 335.414 2.173 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000078611160 217086811 /nfs/dbraw/zinc/08/68/11/217086811.db2.gz XUISMSPBARMLOR-LBPRGKRZSA-N 0 0 344.408 2.113 40 0 EEABRN CO[C@@H](C(=O)NCCc1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000078912131 217145698 /nfs/dbraw/zinc/14/56/98/217145698.db2.gz WXCKOGPNAQSABK-OAHLLOKOSA-N 0 0 326.356 2.111 40 0 EEABRN CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016187778 211888242 /nfs/dbraw/zinc/88/82/42/211888242.db2.gz BXTCLIQXIWSTGP-UHFFFAOYSA-N 0 0 336.457 2.314 40 0 EEABRN C[C@@H](NC(=O)Cn1c(=O)onc1-c1ccccc1)c1cccs1 ZINC000079321191 217208706 /nfs/dbraw/zinc/20/87/06/217208706.db2.gz OYIFXCAISHPTFA-LLVKDONJSA-N 0 0 329.381 2.442 40 0 EEABRN COc1c(Br)c(C)sc1C(=O)NCCn1ccnc1 ZINC000079543354 217239290 /nfs/dbraw/zinc/23/92/90/217239290.db2.gz CLXSTHNPUOPPLN-UHFFFAOYSA-N 0 0 344.234 2.454 40 0 EEABRN CC(C)c1nc(S(=O)(=O)N2CCN(C)c3ccccc3C2)c[nH]1 ZINC000080738922 217329999 /nfs/dbraw/zinc/32/99/99/217329999.db2.gz HMLJOKBFYWBOBX-UHFFFAOYSA-N 0 0 334.445 2.174 40 0 EEABRN COc1ccc(C)cc1CCNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000081114985 217363622 /nfs/dbraw/zinc/36/36/22/217363622.db2.gz AZZHGCGOKYUHME-INIZCTEOSA-N 0 0 340.427 2.121 40 0 EEABRN CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000081173394 217368311 /nfs/dbraw/zinc/36/83/11/217368311.db2.gz DXDREUAUTPGOTF-CABCVRRESA-N 0 0 348.447 2.168 40 0 EEABRN Cc1ccc(C)c2sc(N3CC(OC(=O)c4cn(C)nn4)C3)nc21 ZINC000085472286 217672390 /nfs/dbraw/zinc/67/23/90/217672390.db2.gz XOIFCMBCPVLJHM-UHFFFAOYSA-N 0 0 343.412 2.087 40 0 EEABRN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1cncc(Br)c1 ZINC000086061017 217688500 /nfs/dbraw/zinc/68/85/00/217688500.db2.gz RVOJJXPAKNWJHB-SECBINFHSA-N 0 0 339.189 2.012 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000013672841 211604066 /nfs/dbraw/zinc/60/40/66/211604066.db2.gz PPALZVKRGDIERM-CABCVRRESA-N 0 0 338.473 2.408 40 0 EEABRN CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)n(C)n1)n2C ZINC000013375952 211552528 /nfs/dbraw/zinc/55/25/28/211552528.db2.gz PIPGHCYEWMIUGP-WUKNDPDISA-N 0 0 330.413 2.422 40 0 EEABRN CC(C)c1noc(CSc2nnnn2-c2ccc3c(c2)OCO3)n1 ZINC000265258676 247346149 /nfs/dbraw/zinc/34/61/49/247346149.db2.gz JSMMWGOVYLRWGG-UHFFFAOYSA-N 0 0 346.372 2.190 40 0 EEABRN CC(C)[C@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)c1cccs1 ZINC000012200334 211319067 /nfs/dbraw/zinc/31/90/67/211319067.db2.gz ORYFYKPLOHLVBX-ZFWWWQNUSA-N 0 0 332.429 2.488 40 0 EEABRN O=C(NCCc1ccccc1)[C@@H]1C=CCN1C(=O)c1cccs1 ZINC000012182545 211312649 /nfs/dbraw/zinc/31/26/49/211312649.db2.gz PZGDBCGHRKUPET-HNNXBMFYSA-N 0 0 326.421 2.488 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012117182 211295616 /nfs/dbraw/zinc/29/56/16/211295616.db2.gz LVRRPCFGMWRMTO-RDJZCZTQSA-N 0 0 338.411 2.424 40 0 EEABRN CC(C)NC(=O)CN1CCC[C@@H]1c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000012115765 211294029 /nfs/dbraw/zinc/29/40/29/211294029.db2.gz QZQVBENISJKXFM-CQSZACIVSA-N 0 0 331.395 2.272 40 0 EEABRN O=C(CN1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1nccs1 ZINC000012114421 211292941 /nfs/dbraw/zinc/29/29/41/211292941.db2.gz GESKDNYLFFDQMJ-HBBFGDNQSA-N 0 0 333.413 2.189 40 0 EEABRN Cc1c(C(=O)NCCCc2ccccn2)sc2ncn(C)c(=O)c12 ZINC000012148611 211307328 /nfs/dbraw/zinc/30/73/28/211307328.db2.gz BDKBFNGGHKBEKK-UHFFFAOYSA-N 0 0 342.424 2.061 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096219611 284734314 /nfs/dbraw/zinc/73/43/14/284734314.db2.gz RQGQASIMXBBUAC-XJKSGUPXSA-N 0 0 348.403 2.163 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000095389648 218321466 /nfs/dbraw/zinc/32/14/66/218321466.db2.gz KTNBBCXMRBVDCL-SQNIBIBYSA-N 0 0 342.439 2.350 40 0 EEABRN C[C@H](OC1CCCCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095397186 218329269 /nfs/dbraw/zinc/32/92/69/218329269.db2.gz MIGQKTJVHQVLOR-LBPRGKRZSA-N 0 0 329.404 2.221 40 0 EEABRN CC(=O)Nc1cccc(-n2cnnc2SCCn2ccnc2)c1 ZINC000095435769 218378161 /nfs/dbraw/zinc/37/81/61/218378161.db2.gz MWVSVZMEUFTGDM-UHFFFAOYSA-N 0 0 328.401 2.215 40 0 EEABRN C[C@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@H]1c1nncn1C ZINC000095453681 218397272 /nfs/dbraw/zinc/39/72/72/218397272.db2.gz ATJIGDHYHMMMMJ-DOMZBBRYSA-N 0 0 347.394 2.268 40 0 EEABRN Cn1cccc1C(=O)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042620 218528022 /nfs/dbraw/zinc/52/80/22/218528022.db2.gz LDSJZOUZMNPRDW-BMFZPTHFSA-N 0 0 345.374 2.010 40 0 EEABRN Cc1ccc(C(=O)N2CCc3c(nnn3C)[C@H]2COCC2CC2)s1 ZINC000096045309 218531342 /nfs/dbraw/zinc/53/13/42/218531342.db2.gz YAEZQJCUXAORAA-CQSZACIVSA-N 0 0 346.456 2.351 40 0 EEABRN COC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096045594 218532058 /nfs/dbraw/zinc/53/20/58/218532058.db2.gz YRLMLRWDAAMTRE-AWEZNQCLSA-N 0 0 346.456 2.065 40 0 EEABRN CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccccc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185158 218648597 /nfs/dbraw/zinc/64/85/97/218648597.db2.gz NWQLOPYCMGFIGB-XLIONFOSSA-N 0 0 344.455 2.264 40 0 EEABRN COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nnc(C)s3)C2)cc1 ZINC000096192758 218661983 /nfs/dbraw/zinc/66/19/83/218661983.db2.gz FDWOZKKQVRZTSI-OAHLLOKOSA-N 0 0 332.385 2.377 40 0 EEABRN COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197927 218667789 /nfs/dbraw/zinc/66/77/89/218667789.db2.gz JOLVQKFRXZXPCK-HNNXBMFYSA-N 0 0 340.427 2.003 40 0 EEABRN COCCC[NH2+][C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000006579834 210656912 /nfs/dbraw/zinc/65/69/12/210656912.db2.gz XGRDXMDEXOOMKL-LLVKDONJSA-N 0 0 349.214 2.401 40 0 EEABRN O=C(COC1CCCC1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096219057 218693530 /nfs/dbraw/zinc/69/35/30/218693530.db2.gz LXVDFROREYPUFR-FCEWJHQRSA-N 0 0 346.427 2.178 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC[C@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228973 218705124 /nfs/dbraw/zinc/70/51/24/218705124.db2.gz NNUDPLKVSHNTBH-QUCCMNQESA-N 0 0 344.455 2.311 40 0 EEABRN O=C(C1CCC1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239755 218712996 /nfs/dbraw/zinc/71/29/96/218712996.db2.gz AXMKPYRHYDTCAG-INIZCTEOSA-N 0 0 336.386 2.341 40 0 EEABRN NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000096411666 218766570 /nfs/dbraw/zinc/76/65/70/218766570.db2.gz PHBQDCUHJQQOLH-UHFFFAOYSA-N 0 0 336.800 2.190 40 0 EEABRN COC(=O)c1ccc(=O)n(Cc2csc(-c3ccsc3)n2)n1 ZINC000096424939 218793880 /nfs/dbraw/zinc/79/38/80/218793880.db2.gz BTEKLFIKKIVVTR-UHFFFAOYSA-N 0 0 333.394 2.263 40 0 EEABRN CNC(=O)c1cccnc1NCc1ccc(OCC(F)(F)F)nc1 ZINC000096429171 218802436 /nfs/dbraw/zinc/80/24/36/218802436.db2.gz ZRXMNPSOPJVHLD-UHFFFAOYSA-N 0 0 340.305 2.389 40 0 EEABRN COCCc1nnc(SCc2csc(-c3ccco3)n2)n1N ZINC000096430402 218804331 /nfs/dbraw/zinc/80/43/31/218804331.db2.gz FNAMIBGOWLPDPR-UHFFFAOYSA-N 0 0 337.430 2.190 40 0 EEABRN C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)c1nnnn1-c1ccccc1 ZINC000096437048 218817663 /nfs/dbraw/zinc/81/76/63/218817663.db2.gz OKATXMRCHOAPPT-LLVKDONJSA-N 0 0 336.355 2.280 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000096455125 218839016 /nfs/dbraw/zinc/83/90/16/218839016.db2.gz HHNABHVCVXDCNN-XGWLTEMNSA-N 0 0 336.480 2.328 40 0 EEABRN CCS(=O)(=O)N(C)C1CCN(c2cccc(F)c2C(C)=O)CC1 ZINC000096456194 218841367 /nfs/dbraw/zinc/84/13/67/218841367.db2.gz IUXPHCILMVXACQ-UHFFFAOYSA-N 0 0 342.436 2.279 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000096477114 218854640 /nfs/dbraw/zinc/85/46/40/218854640.db2.gz QFMLBKBVLLZQFB-AAEUAGOBSA-N 0 0 341.337 2.139 40 0 EEABRN COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccccc2)c1 ZINC000005513190 210478254 /nfs/dbraw/zinc/47/82/54/210478254.db2.gz NJOSJRZHHJVBCU-UHFFFAOYSA-N 0 0 328.368 2.001 40 0 EEABRN Nc1nc(N2CCC(OC[C@H]3CCCO3)CC2)nc2ccccc12 ZINC000096486674 218863106 /nfs/dbraw/zinc/86/31/06/218863106.db2.gz XUOPHZDROMTRTJ-CQSZACIVSA-N 0 0 328.416 2.376 40 0 EEABRN CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000005251446 210423969 /nfs/dbraw/zinc/42/39/69/210423969.db2.gz QYUWERBVRFVEHN-UHFFFAOYSA-N 0 0 342.395 2.391 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986717 210351441 /nfs/dbraw/zinc/35/14/41/210351441.db2.gz CIXYCDALVNFDIC-HIFRSBDPSA-N 0 0 345.424 2.032 40 0 EEABRN C[C@H](c1ccccc1F)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000004929277 210328156 /nfs/dbraw/zinc/32/81/56/210328156.db2.gz CQBDRMKHKCXFFX-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN CC1(C)CN(CC(F)(F)F)CCN1Cc1cc(C(N)=O)cs1 ZINC000097377004 219018906 /nfs/dbraw/zinc/01/89/06/219018906.db2.gz HEDQVRBJFVDDRP-UHFFFAOYSA-N 0 0 335.395 2.306 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@H]2c3ccccc3S(=O)(=O)[C@@H]2C1 ZINC000306144867 257925889 /nfs/dbraw/zinc/92/58/89/257925889.db2.gz ZQXPZAHLORJWNR-FUHWJXTLSA-N 0 0 341.432 2.319 40 0 EEABRN Cc1ccc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)cn1 ZINC000371246403 258001941 /nfs/dbraw/zinc/00/19/41/258001941.db2.gz DCUHLDDURBNKSP-NSHDSACASA-N 0 0 339.321 2.036 40 0 EEABRN Cc1cccc(NC(=O)c2nnc3ccc(N4CCOCC4)cc3n2)c1 ZINC000057280148 132199378 /nfs/dbraw/zinc/19/93/78/132199378.db2.gz JUHSSRCHFSHLGB-UHFFFAOYSA-N 0 0 349.394 2.422 40 0 EEABRN COc1cc(NC(=O)c2cnccn2)ccc1N1CCCCC1=O ZINC000038677663 132397620 /nfs/dbraw/zinc/39/76/20/132397620.db2.gz GLOHNDWDLHUFHR-UHFFFAOYSA-N 0 0 326.356 2.254 40 0 EEABRN Cc1cc2nc3c(c(=O)n2[n-]1)CC[N@H+](Cc1ccc(F)cc1)CC3 ZINC000100769169 292023996 /nfs/dbraw/zinc/02/39/96/292023996.db2.gz HANQSKSJRIJOIW-UHFFFAOYSA-N 0 0 326.375 2.483 40 0 EEABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)CC(=O)C[C@@]1(C)O ZINC000004416620 285890364 /nfs/dbraw/zinc/89/03/64/285890364.db2.gz MBDQYCYEBOCOMV-RPVQJOFSSA-N 0 0 336.384 2.081 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746774 286274968 /nfs/dbraw/zinc/27/49/68/286274968.db2.gz WHOLRJKSUODOKN-LJQANCHMSA-N 0 0 345.443 2.391 40 0 EEABRN COc1ccc(NC(=O)N2CCC[C@H]2CO)cc1Br ZINC000079028881 286329636 /nfs/dbraw/zinc/32/96/36/286329636.db2.gz MTVBNWZPDITUOI-JTQLQIEISA-N 0 0 329.194 2.446 40 0 EEABRN C[C@H]1CC[C@H](C)N(C(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000095417008 300058500 /nfs/dbraw/zinc/05/85/00/300058500.db2.gz PRPBYDSCEYMSFT-QWRGUYRKSA-N 0 0 327.471 2.480 40 0 EEABRN NC(=O)c1cc(Oc2cccc(Oc3ncnc4n[nH]cc43)c2)ccn1 ZINC000346657646 161389444 /nfs/dbraw/zinc/38/94/44/161389444.db2.gz OVKGSKVZHGKZLA-UHFFFAOYSA-N 0 0 348.322 2.431 40 0 EEABRN O=S(=O)(N[C@H]1CCCN(c2ccccn2)C1)c1ccccc1F ZINC000166148637 226150348 /nfs/dbraw/zinc/15/03/48/226150348.db2.gz IVBGVYBYUTVYCV-ZDUSSCGKSA-N 0 0 335.404 2.168 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000121347036 221821121 /nfs/dbraw/zinc/82/11/21/221821121.db2.gz HCSLDAQYLFICJH-ZDUSSCGKSA-N 0 0 332.425 2.394 40 0 EEABRN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@@H]1c1cc[nH]n1 ZINC000279252624 274461887 /nfs/dbraw/zinc/46/18/87/274461887.db2.gz UAAWGSMVVBLJDL-IUODEOHRSA-N 0 0 328.347 2.338 40 0 EEABRN CN1CCO[C@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000084367442 277126585 /nfs/dbraw/zinc/12/65/85/277126585.db2.gz GNQAMOLYRYWMKZ-AWEZNQCLSA-N 0 0 329.227 2.209 40 0 EEABRN Ic1ncnc2c1ncn2[C@H]1CCCCO1 ZINC000001665496 279475525 /nfs/dbraw/zinc/47/55/25/279475525.db2.gz HNUHHIIBWXRPEV-SSDOTTSWSA-N 0 0 330.129 2.130 40 0 EEABRN O=c1[nH]nc(-c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccco1 ZINC000112000081 280457553 /nfs/dbraw/zinc/45/75/53/280457553.db2.gz YUPQNOPMZMDNQV-CQSZACIVSA-N 0 0 333.311 2.123 40 0 EEABRN CC[C@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)N1CCCC1=O ZINC000096436286 280661451 /nfs/dbraw/zinc/66/14/51/280661451.db2.gz DCZDCCHQSUPCEM-IAGOWNOFSA-N 0 0 330.428 2.160 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C[C@H]1CCCCO1 ZINC000257317826 289028198 /nfs/dbraw/zinc/02/81/98/289028198.db2.gz VLIFBPOPUGEGFF-HIFRSBDPSA-N 0 0 348.447 2.124 40 0 EEABRN C[C@@H](CNC(=O)N1CCO[C@H](CO)C1)c1ccc(C(F)(F)F)cc1 ZINC000334099340 312239397 /nfs/dbraw/zinc/23/93/97/312239397.db2.gz GRRMCBBXMDEYCP-FZMZJTMJSA-N 0 0 346.349 2.212 40 0 EEABRN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccccc1-n1ccnn1 ZINC000097372592 323322026 /nfs/dbraw/zinc/32/20/26/323322026.db2.gz OLZJWJNQHLUKAT-YOEHRIQHSA-N 0 0 328.416 2.328 40 0 EEABRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCO1 ZINC000097375620 323322414 /nfs/dbraw/zinc/32/24/14/323322414.db2.gz GXWNJFXMKXMDGI-KRWDZBQOSA-N 0 0 332.425 2.339 40 0 EEABRN Cc1cc(S(=O)(=O)NCc2nnc(C(C)C)n2C)sc1C ZINC000155111228 323332108 /nfs/dbraw/zinc/33/21/08/323332108.db2.gz FBPFTSYCTMWYPS-UHFFFAOYSA-N 0 0 328.463 2.095 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000155970366 323333075 /nfs/dbraw/zinc/33/30/75/323333075.db2.gz YEAVBFQBUGBPBI-KZULUSFZSA-N 0 0 336.432 2.011 40 0 EEABRN CC[C@]1(C)CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000195574736 323515242 /nfs/dbraw/zinc/51/52/42/323515242.db2.gz JDEHTAMBBGIKML-GXTWGEPZSA-N 0 0 337.386 2.081 40 0 EEABRN CC1(C)[C@H](NC(=O)NCCOCCc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000230096221 464202842 /nfs/dbraw/zinc/20/28/42/464202842.db2.gz KMRQVNKZCQDSAV-GVDBMIGSSA-N 0 0 332.444 2.358 40 0 EEABRN COC(=O)[C@H](NC(=O)c1cnn(C(C)C)c1N)c1ccc(C)c(C)c1 ZINC000252489137 464964526 /nfs/dbraw/zinc/96/45/26/464964526.db2.gz JGWLVMMFOVXGNK-OAHLLOKOSA-N 0 0 344.415 2.307 40 0 EEABRN COc1cc2c(cc1OC)S(=O)(=O)N(Cc1ccccc1C)C2=O ZINC000060350453 462542761 /nfs/dbraw/zinc/54/27/61/462542761.db2.gz FGNXNAOVTMLTQB-UHFFFAOYSA-N 0 0 347.392 2.357 40 0 EEABRN CC(=O)Nc1ccc(Br)cc1C(=O)c1nnc(N)s1 ZINC000000175365 462545239 /nfs/dbraw/zinc/54/52/39/462545239.db2.gz FILXKENUDWXCIM-UHFFFAOYSA-N 0 0 341.190 2.072 40 0 EEABRN CN(C)c1cccc(C(=O)NCc2cc(-c3ccncc3)n(C)n2)c1 ZINC000085556242 462552446 /nfs/dbraw/zinc/55/24/46/462552446.db2.gz MQGGAWNWVSYSLN-UHFFFAOYSA-N 0 0 335.411 2.478 40 0 EEABRN COC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 ZINC000000413008 462559069 /nfs/dbraw/zinc/55/90/69/462559069.db2.gz VAYBBFTZBSRLRE-UHFFFAOYSA-N 0 0 346.412 2.210 40 0 EEABRN COc1cc(NC(=O)CSc2nnc(C3CC3)n2C)cc(OC)c1 ZINC000000412979 462559384 /nfs/dbraw/zinc/55/93/84/462559384.db2.gz MJSPHIQIBJBPHV-UHFFFAOYSA-N 0 0 348.428 2.441 40 0 EEABRN CN(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000000905122 462574788 /nfs/dbraw/zinc/57/47/88/462574788.db2.gz ZGWWELGPLOWXKF-UHFFFAOYSA-N 0 0 343.412 2.162 40 0 EEABRN COc1cc2nc(C3CCC3)n(NC(=O)C3CC3)c(=O)c2cc1OC ZINC000001365173 462580613 /nfs/dbraw/zinc/58/06/13/462580613.db2.gz UIBOEXCOCXUUJF-UHFFFAOYSA-N 0 0 343.383 2.161 40 0 EEABRN CCOC(=O)[C@@H](CNc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000001574551 462584014 /nfs/dbraw/zinc/58/40/14/462584014.db2.gz KAAJPDCQBRIJAD-MRXNPFEDSA-N 0 0 328.368 2.166 40 0 EEABRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCN1CCCC1=O ZINC000088200827 462614099 /nfs/dbraw/zinc/61/40/99/462614099.db2.gz GGHONTJJDVDCGG-INIZCTEOSA-N 0 0 329.444 2.256 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956739 462618618 /nfs/dbraw/zinc/61/86/18/462618618.db2.gz NBRICVVWTMAVBU-VHSXEESVSA-N 0 0 334.388 2.034 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000088388900 462626106 /nfs/dbraw/zinc/62/61/06/462626106.db2.gz NWDUJIDUWOCQSZ-OZAJXLCCSA-N 0 0 347.444 2.235 40 0 EEABRN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(N)=O ZINC000004062916 462627645 /nfs/dbraw/zinc/62/76/45/462627645.db2.gz NSQCTWVLEZYELM-IPELMVKDSA-N 0 0 332.444 2.239 40 0 EEABRN O[C@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000004078548 462628113 /nfs/dbraw/zinc/62/81/13/462628113.db2.gz XEYVZLZWQFLSDZ-GVRJEKJASA-N 0 0 340.416 2.224 40 0 EEABRN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000005704636 462667758 /nfs/dbraw/zinc/66/77/58/462667758.db2.gz QMMZEAHNSIULAI-UHFFFAOYSA-N 0 0 330.837 2.216 40 0 EEABRN O=C(CSc1nc2ccccc2[nH]c1=O)NCCc1ccccc1 ZINC000005729018 462668366 /nfs/dbraw/zinc/66/83/66/462668366.db2.gz XPXJRTQPNSKTOA-UHFFFAOYSA-N 0 0 339.420 2.374 40 0 EEABRN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006139084 462678827 /nfs/dbraw/zinc/67/88/27/462678827.db2.gz PCHZNKSCVHIYFR-UHFFFAOYSA-N 0 0 332.853 2.265 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006324835 462681716 /nfs/dbraw/zinc/68/17/16/462681716.db2.gz GQZPHBRBKDDXDG-CHWSQXEVSA-N 0 0 342.461 2.155 40 0 EEABRN Cc1cc(C)n(Cc2ccc(-c3nc4c5cnnc-5ncn4[nH]3)o2)n1 ZINC000006412776 462685688 /nfs/dbraw/zinc/68/56/88/462685688.db2.gz JRYSUMZGVQOGPV-UHFFFAOYSA-N 0 0 334.343 2.122 40 0 EEABRN CCCNC(=O)c1cc(I)c(OC)c(OC)c1 ZINC000006636193 462692931 /nfs/dbraw/zinc/69/29/31/462692931.db2.gz CDJACJBIHXRFAS-UHFFFAOYSA-N 0 0 349.168 2.448 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cs1 ZINC000006681301 462697355 /nfs/dbraw/zinc/69/73/55/462697355.db2.gz LXLYTOKVIFSVJV-UHFFFAOYSA-N 0 0 342.417 2.462 40 0 EEABRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1O ZINC000006958401 462713665 /nfs/dbraw/zinc/71/36/65/462713665.db2.gz LJRZFQHKDRCPBS-RUDMXATFSA-N 0 0 341.161 2.076 40 0 EEABRN Cc1ccc(C(=O)NCc2cc(N(C)C)nc3ccccc23)c(=O)[nH]1 ZINC000075386200 462713942 /nfs/dbraw/zinc/71/39/42/462713942.db2.gz YSYDDGMLHJEHIC-UHFFFAOYSA-N 0 0 336.395 2.228 40 0 EEABRN CCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 ZINC000006947152 462714422 /nfs/dbraw/zinc/71/44/22/462714422.db2.gz NGUBCIGOMXMXRD-LBPRGKRZSA-N 0 0 329.418 2.095 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)c3cc(C4CC4)on3)CC2)n1 ZINC000075391192 462715225 /nfs/dbraw/zinc/71/52/25/462715225.db2.gz MATLHVLREZCICW-UHFFFAOYSA-N 0 0 347.444 2.318 40 0 EEABRN COc1ccc(Cl)cc1C(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000065224982 462744316 /nfs/dbraw/zinc/74/43/16/462744316.db2.gz JTAFQKCZIJOQJH-UHFFFAOYSA-N 0 0 348.790 2.228 40 0 EEABRN COc1cc(CNS(=O)(=O)c2cccs2)cc(OC)c1OC ZINC000008059602 462764728 /nfs/dbraw/zinc/76/47/28/462764728.db2.gz KRCXQPBFZRFDFN-UHFFFAOYSA-N 0 0 343.426 2.252 40 0 EEABRN CCOC(=O)c1nc2cc(C)ccn2c1I ZINC000090470960 462793341 /nfs/dbraw/zinc/79/33/41/462793341.db2.gz RDABCNYBJZLLSB-UHFFFAOYSA-N 0 0 330.125 2.424 40 0 EEABRN Cc1cc(C)n(C[C@H](C)CNC(=O)COc2ccccc2C=O)n1 ZINC000065592317 462805171 /nfs/dbraw/zinc/80/51/71/462805171.db2.gz HBKLAEPIWYMHQZ-CYBMUJFWSA-N 0 0 329.400 2.144 40 0 EEABRN Cc1ccc(C(=O)NCCc2ccccc2)cc1NS(C)(=O)=O ZINC000010327997 462817119 /nfs/dbraw/zinc/81/71/19/462817119.db2.gz TZXFQQUPKPUSER-UHFFFAOYSA-N 0 0 332.425 2.339 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)n1cncn1 ZINC000091153233 462841661 /nfs/dbraw/zinc/84/16/61/462841661.db2.gz WXGFITRGAXDAAH-OWYVNGRQSA-N 0 0 338.770 2.278 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000012393391 462851326 /nfs/dbraw/zinc/85/13/26/462851326.db2.gz AITCRDKKPZYITR-SRABZTEZSA-N 0 0 346.427 2.316 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C1CCOCC1 ZINC000013226871 462887960 /nfs/dbraw/zinc/88/79/60/462887960.db2.gz QEGZNEDMTSUABG-DZGCQCFKSA-N 0 0 326.400 2.053 40 0 EEABRN CCCCNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713619 462901274 /nfs/dbraw/zinc/90/12/74/462901274.db2.gz RENFEDZOEGKNLF-HNNXBMFYSA-N 0 0 326.462 2.456 40 0 EEABRN Cc1ccc(Br)cc1C(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000076906767 462920840 /nfs/dbraw/zinc/92/08/40/462920840.db2.gz QGQGHGVCXABKNY-JTQLQIEISA-N 0 0 333.203 2.101 40 0 EEABRN O=C([C@H]1COc2ccccc2O1)N(CC(F)(F)F)C1CCOCC1 ZINC000077158209 462945312 /nfs/dbraw/zinc/94/53/12/462945312.db2.gz UTKZPUPAQJCMHO-CQSZACIVSA-N 0 0 345.317 2.396 40 0 EEABRN Cc1ccc([C@H](O)CNC(=O)C2(c3ccccc3)CCOCC2)o1 ZINC000049026809 462949987 /nfs/dbraw/zinc/94/99/87/462949987.db2.gz SPHBZHTVZISMDQ-MRXNPFEDSA-N 0 0 329.396 2.486 40 0 EEABRN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017055401 462993970 /nfs/dbraw/zinc/99/39/70/462993970.db2.gz SPFDNDWKLAYXSF-LBPRGKRZSA-N 0 0 344.502 2.310 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000017323314 462999156 /nfs/dbraw/zinc/99/91/56/462999156.db2.gz JNFYUOUSVNOLCM-AWEZNQCLSA-N 0 0 346.452 2.405 40 0 EEABRN C[C@](O)(CNC(=O)NCCOc1cccc(F)c1)c1ccsc1 ZINC000077532396 463000747 /nfs/dbraw/zinc/00/07/47/463000747.db2.gz FJMKURSXLSXQSF-INIZCTEOSA-N 0 0 338.404 2.473 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1CC1(C2)Nc2ccccc2C(=O)N1 ZINC000019374847 463017963 /nfs/dbraw/zinc/01/79/63/463017963.db2.gz VIDITUKVPAMHLY-RAKKMVLPSA-N 0 0 348.406 2.400 40 0 EEABRN C[S@@](=O)c1ccc(CN2CCN(CC3CCCC3)C(=O)C2)cc1 ZINC000093772051 463048070 /nfs/dbraw/zinc/04/80/70/463048070.db2.gz LNGKZCRAMCZWAV-QHCPKHFHSA-N 0 0 334.485 2.258 40 0 EEABRN Cc1ccc([C@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000095101333 463067262 /nfs/dbraw/zinc/06/72/62/463067262.db2.gz DKXOTTPAYPGLTE-QOKNQOGYSA-N 0 0 344.411 2.431 40 0 EEABRN O=C(CCc1ccncc1)NCCNc1ncnc2sccc21 ZINC000053018613 463126084 /nfs/dbraw/zinc/12/60/84/463126084.db2.gz ZYEOHPOQEMDVAS-UHFFFAOYSA-N 0 0 327.413 2.247 40 0 EEABRN O=C(CC1CC1)N[C@@H]1CN(Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040646 463145137 /nfs/dbraw/zinc/14/51/37/463145137.db2.gz WHYQYRHNMUVFNH-VBQJREDUSA-N 0 0 335.473 2.039 40 0 EEABRN CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000157579730 463145152 /nfs/dbraw/zinc/14/51/52/463145152.db2.gz CZNIOERACXJEOG-HNNXBMFYSA-N 0 0 341.908 2.065 40 0 EEABRN O=C(NC1CCCC1)[C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041165 463146398 /nfs/dbraw/zinc/14/63/98/463146398.db2.gz MPSAAZCUSFRURR-SOUVJXGZSA-N 0 0 335.473 2.039 40 0 EEABRN CC[C@@H]1N(C(=O)c2ccncc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052447 463156286 /nfs/dbraw/zinc/15/62/86/463156286.db2.gz LTHYSUQIZINRKL-LPHOPBHVSA-N 0 0 345.443 2.104 40 0 EEABRN CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2cn(CC3CC3)nc21 ZINC000096059961 463160006 /nfs/dbraw/zinc/16/00/06/463160006.db2.gz VFEZNTOICNAYDS-QGZVFWFLSA-N 0 0 329.448 2.163 40 0 EEABRN COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060893 463161848 /nfs/dbraw/zinc/16/18/48/463161848.db2.gz VQETYOFQXZMAFO-MRXNPFEDSA-N 0 0 342.443 2.443 40 0 EEABRN Cc1ccc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cn1 ZINC000096067658 463164622 /nfs/dbraw/zinc/16/46/22/463164622.db2.gz JXDHFXXTLATBOR-KRWDZBQOSA-N 0 0 337.423 2.249 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@]1(OC)CCSC1 ZINC000096097684 463171987 /nfs/dbraw/zinc/17/19/87/463171987.db2.gz YTFLLLIYKRCVEF-HNNXBMFYSA-N 0 0 345.486 2.112 40 0 EEABRN Cn1nc(CNC(=O)NCc2ccc(Cl)cc2)c2c1CCOC2 ZINC000096104036 463174100 /nfs/dbraw/zinc/17/41/00/463174100.db2.gz SLLJBLBWJDUVDG-UHFFFAOYSA-N 0 0 334.807 2.146 40 0 EEABRN Cc1cc(CN2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107774 463174995 /nfs/dbraw/zinc/17/49/95/463174995.db2.gz PFWRRMDDOLKMPA-MSOLQXFVSA-N 0 0 329.400 2.328 40 0 EEABRN Cc1cc(CN2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)no1 ZINC000096107144 463175496 /nfs/dbraw/zinc/17/54/96/463175496.db2.gz VBKQLEOIYQCAIZ-CVEARBPZSA-N 0 0 347.440 2.298 40 0 EEABRN O=C(c1ccncn1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096109325 463178798 /nfs/dbraw/zinc/17/87/98/463178798.db2.gz VSNLKOLYIQUGCF-APWZRJJASA-N 0 0 338.411 2.331 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N(C)C)nc1N(C)C ZINC000096121400 463182051 /nfs/dbraw/zinc/18/20/51/463182051.db2.gz DITPMHGYCRDBGQ-GFCCVEGCSA-N 0 0 329.404 2.015 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000096181808 463194262 /nfs/dbraw/zinc/19/42/62/463194262.db2.gz VNJBPARTKKIGCK-IAGOWNOFSA-N 0 0 334.391 2.127 40 0 EEABRN COc1cc(=O)n(CC(=O)NC2CCCCC2)nc1-c1ccccc1 ZINC000096184134 463195998 /nfs/dbraw/zinc/19/59/98/463195998.db2.gz RCTMXSONUUBRRB-UHFFFAOYSA-N 0 0 341.411 2.368 40 0 EEABRN c1cnc(N2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186759 463198811 /nfs/dbraw/zinc/19/88/11/463198811.db2.gz JRBRDUDGPLOLSS-IKGGRYGDSA-N 0 0 326.400 2.215 40 0 EEABRN Cc1ccc(Oc2ccc(NC(=O)NCCS(C)(=O)=O)cn2)cc1 ZINC000069031543 463199831 /nfs/dbraw/zinc/19/98/31/463199831.db2.gz NWPQNRKQMQFKBN-UHFFFAOYSA-N 0 0 349.412 2.348 40 0 EEABRN O=C(c1cccs1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096188568 463200083 /nfs/dbraw/zinc/20/00/83/463200083.db2.gz ZSIWIRIHFXVVFY-ZDUSSCGKSA-N 0 0 327.413 2.114 40 0 EEABRN Cc1ccc(C(=O)N2CCn3cc(CNc4ccccn4)nc3C2)cn1 ZINC000096197511 463202489 /nfs/dbraw/zinc/20/24/89/463202489.db2.gz APYQRZMDUMCQRB-UHFFFAOYSA-N 0 0 348.410 2.250 40 0 EEABRN COCCO[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1ccccc1 ZINC000096200418 463205933 /nfs/dbraw/zinc/20/59/33/463205933.db2.gz ULVFOJCSCOGQTJ-ROUUACIJSA-N 0 0 344.411 2.472 40 0 EEABRN O=C(c1ccc[nH]1)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226416 463220405 /nfs/dbraw/zinc/22/04/05/463220405.db2.gz RFAHXTULAYFVBE-SFHVURJKSA-N 0 0 344.390 2.060 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096226923 463221255 /nfs/dbraw/zinc/22/12/55/463221255.db2.gz OAQUFLMWZNDZOZ-CRAIPNDOSA-N 0 0 328.416 2.384 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227576 463222570 /nfs/dbraw/zinc/22/25/70/463222570.db2.gz HNBODMXUCBZOLL-LPHOPBHVSA-N 0 0 327.428 2.127 40 0 EEABRN CC(C)NC(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000096243390 463225088 /nfs/dbraw/zinc/22/50/88/463225088.db2.gz UGVIJQIZLFMILU-UHFFFAOYSA-N 0 0 329.444 2.401 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2nccs2)n1 ZINC000096246028 463227691 /nfs/dbraw/zinc/22/76/91/463227691.db2.gz OGRCQCKWUCMDOW-GJZGRUSLSA-N 0 0 328.441 2.222 40 0 EEABRN Cc1ccccc1NC(=O)N1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252883 463228227 /nfs/dbraw/zinc/22/82/27/463228227.db2.gz UJPXZAYBHJEFFQ-IJEWVQPXSA-N 0 0 331.416 2.141 40 0 EEABRN CO[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)c1ccccc1 ZINC000096408774 463241354 /nfs/dbraw/zinc/24/13/54/463241354.db2.gz YJZQBKHKIBLDAO-JLCFBVMHSA-N 0 0 326.462 2.221 40 0 EEABRN Cc1ccc(OC[C@H](C)NC(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000096413305 463246211 /nfs/dbraw/zinc/24/62/11/463246211.db2.gz WNXOHFSGDRXFKS-WCQYABFASA-N 0 0 334.338 2.375 40 0 EEABRN COc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)c3c[nH]nc3C)C2)cc1 ZINC000096415046 463247894 /nfs/dbraw/zinc/24/78/94/463247894.db2.gz HCORDIQVKQLUGT-SMDDNHRTSA-N 0 0 335.429 2.293 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)N[C@@H](C)Cc2c(C)noc2C)n1 ZINC000096415305 463248401 /nfs/dbraw/zinc/24/84/01/463248401.db2.gz HRDJWNRIXHSZFK-CMPLNLGQSA-N 0 0 333.436 2.424 40 0 EEABRN CN1C[C@H](NC(=O)NCC2(c3ccc(Cl)cc3)CC2)CCC1=O ZINC000096415409 463248404 /nfs/dbraw/zinc/24/84/04/463248404.db2.gz ACLXISXQHYJTRP-CQSZACIVSA-N 0 0 335.835 2.292 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(OC2CCOCC2)CC1 ZINC000096417446 463248919 /nfs/dbraw/zinc/24/89/19/463248919.db2.gz LZGMHMNUDQMZCY-MAUKXSAKSA-N 0 0 338.492 2.341 40 0 EEABRN O=C(CNC(=O)NCC1(c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000096417615 463249526 /nfs/dbraw/zinc/24/95/26/463249526.db2.gz ZZYFOBFEXPAMET-UHFFFAOYSA-N 0 0 335.835 2.293 40 0 EEABRN CCc1ccc(CC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000096422373 463254258 /nfs/dbraw/zinc/25/42/58/463254258.db2.gz ADRVTBOYHFJUFD-CQSZACIVSA-N 0 0 342.361 2.413 40 0 EEABRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NS(=O)(=O)N(C)C ZINC000096426077 463254929 /nfs/dbraw/zinc/25/49/29/463254929.db2.gz GGYJLEUAOAOIPZ-UHFFFAOYSA-N 0 0 349.460 2.198 40 0 EEABRN Cc1ccc(N2CCC[C@@H](NC(=O)CCCn3ccnc3)C2=O)cc1 ZINC000096425877 463255046 /nfs/dbraw/zinc/25/50/46/463255046.db2.gz INGIEAVCXCDFDM-QGZVFWFLSA-N 0 0 340.427 2.284 40 0 EEABRN C[C@H](CC(=O)c1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000096426322 463255921 /nfs/dbraw/zinc/25/59/21/463255921.db2.gz PQULPCSCGPZLJW-IUODEOHRSA-N 0 0 334.391 2.291 40 0 EEABRN CN(Cc1cnccn1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000096428075 463257903 /nfs/dbraw/zinc/25/79/03/463257903.db2.gz WMEMOTDNAMOEBK-UHFFFAOYSA-N 0 0 347.227 2.186 40 0 EEABRN CC(=O)NCCCN(C)C(=O)c1cccc(Br)c1C ZINC000096431100 463260114 /nfs/dbraw/zinc/26/01/14/463260114.db2.gz YEYWHRLTVCREQE-UHFFFAOYSA-N 0 0 327.222 2.356 40 0 EEABRN CNC(=O)c1cccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000096433881 463262030 /nfs/dbraw/zinc/26/20/30/463262030.db2.gz LENDTZBNBPXVDQ-NSHDSACASA-N 0 0 343.431 2.149 40 0 EEABRN Cc1nc2ccc(NC(=O)NC[C@H]3CCS(=O)(=O)C3)cc2s1 ZINC000069516112 463264805 /nfs/dbraw/zinc/26/48/05/463264805.db2.gz BVKDPIMAJAHJFD-SNVBAGLBSA-N 0 0 339.442 2.161 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1C ZINC000096443223 463268435 /nfs/dbraw/zinc/26/84/35/463268435.db2.gz IEMOHTQWLVLDSF-VIFPVBQESA-N 0 0 335.354 2.209 40 0 EEABRN Cc1nc(C(=O)Nc2ccsc2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000096446793 463270903 /nfs/dbraw/zinc/27/09/03/463270903.db2.gz GZPHYYOFUKCVDX-UHFFFAOYSA-N 0 0 343.294 2.026 40 0 EEABRN CC(=O)N(C)C1CCN(C(=O)NCCc2cc(F)ccc2F)CC1 ZINC000096447375 463271369 /nfs/dbraw/zinc/27/13/69/463271369.db2.gz UBHTUOVJHYJCHS-UHFFFAOYSA-N 0 0 339.386 2.160 40 0 EEABRN Cn1cc(Br)cc1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000096450338 463271816 /nfs/dbraw/zinc/27/18/16/463271816.db2.gz ZAIQPKSEHIYBRY-CYBMUJFWSA-N 0 0 343.246 2.487 40 0 EEABRN CC(=O)N1CCC(NC(=O)CNc2cc(F)ccc2Cl)CC1 ZINC000096453551 463274656 /nfs/dbraw/zinc/27/46/56/463274656.db2.gz XYYGICOSDCTLDT-UHFFFAOYSA-N 0 0 327.787 2.018 40 0 EEABRN C[C@H](Cc1ccccc1Cl)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000096484004 463282587 /nfs/dbraw/zinc/28/25/87/463282587.db2.gz MKYQNBVHPCBYRC-CYBMUJFWSA-N 0 0 337.851 2.344 40 0 EEABRN CCc1[nH]nc(C(=O)N[C@H](C(=O)OC)c2ccccc2F)c1Cl ZINC000096487678 463285117 /nfs/dbraw/zinc/28/51/17/463285117.db2.gz PLPBDIAIAQDERM-LBPRGKRZSA-N 0 0 339.754 2.409 40 0 EEABRN Cc1cccc(N(C)S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000137269952 463286868 /nfs/dbraw/zinc/28/68/68/463286868.db2.gz WLAQAPWCDFASNB-UHFFFAOYSA-N 0 0 342.424 2.460 40 0 EEABRN Cc1cccnc1CSc1nnc(N2CCOCC2)n1C1CC1 ZINC000096490250 463287222 /nfs/dbraw/zinc/28/72/22/463287222.db2.gz PEWAQFVUEDKLLI-UHFFFAOYSA-N 0 0 331.445 2.445 40 0 EEABRN COC(=O)CN(Cc1ccc(Cl)cc1)c1cc(C)nc2ncnn21 ZINC000096492850 463287663 /nfs/dbraw/zinc/28/76/63/463287663.db2.gz VXMOMGVVKMIZCU-UHFFFAOYSA-N 0 0 345.790 2.266 40 0 EEABRN COc1ccc(CNC(=O)CN2CCC(C(F)(F)F)CC2)cc1O ZINC000096495800 463289094 /nfs/dbraw/zinc/28/90/94/463289094.db2.gz SBEOILJZZFUBLY-UHFFFAOYSA-N 0 0 346.349 2.291 40 0 EEABRN CC(C)Cn1ncnc1CN1CCC(C(=O)Nc2ccccn2)CC1 ZINC000096497120 463290469 /nfs/dbraw/zinc/29/04/69/463290469.db2.gz DKUWZRDBCLIXKL-UHFFFAOYSA-N 0 0 342.447 2.180 40 0 EEABRN C[C@@H](Nc1ccc(CCn2cc(Br)cn2)cc1)C(N)=O ZINC000096501963 463292544 /nfs/dbraw/zinc/29/25/44/463292544.db2.gz JWMOZCOZXFIWDR-SNVBAGLBSA-N 0 0 337.221 2.174 40 0 EEABRN CCOC(=O)C1(C(=O)OCC)CC2(CC3(C2)CC(OC)(OC)C3)C1 ZINC000096528032 463294132 /nfs/dbraw/zinc/29/41/32/463294132.db2.gz TZKYIWGFJDFNGT-UHFFFAOYSA-N 0 0 340.416 2.442 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1c(F)cccc1Cl ZINC000097095157 463321093 /nfs/dbraw/zinc/32/10/93/463321093.db2.gz KLXPOZYTHOQEOT-NWDGAFQWSA-N 0 0 344.814 2.203 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1c(F)cccc1Cl ZINC000097095160 463321801 /nfs/dbraw/zinc/32/18/01/463321801.db2.gz KLXPOZYTHOQEOT-NEPJUHHUSA-N 0 0 344.814 2.203 40 0 EEABRN COCc1nc(COc2cccc(I)c2)no1 ZINC000097235910 463352426 /nfs/dbraw/zinc/35/24/26/463352426.db2.gz RWXXMHWUQZCHSB-UHFFFAOYSA-N 0 0 346.124 2.400 40 0 EEABRN Cn1ncc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1N ZINC000097375288 463356551 /nfs/dbraw/zinc/35/65/51/463356551.db2.gz WTENDNJBNPGWLD-UHFFFAOYSA-N 0 0 336.399 2.454 40 0 EEABRN COc1c(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2F)c(C)nn1C ZINC000097377854 463356864 /nfs/dbraw/zinc/35/68/64/463356864.db2.gz CMBMDGQTUJHCNH-IUODEOHRSA-N 0 0 332.379 2.232 40 0 EEABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000032587836 463381390 /nfs/dbraw/zinc/38/13/90/463381390.db2.gz CDWSNUJOPHHXHL-UHFFFAOYSA-N 0 0 339.344 2.422 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCc1nc(-c2ccccc2)no1 ZINC000041151906 463471204 /nfs/dbraw/zinc/47/12/04/463471204.db2.gz JKNNWCLUAZCCLB-UHFFFAOYSA-N 0 0 329.381 2.356 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CCc2ccccc2)C1 ZINC000057318676 463477808 /nfs/dbraw/zinc/47/78/08/463477808.db2.gz RLUMAUNYOGKZRN-WBVHZDCISA-N 0 0 332.444 2.009 40 0 EEABRN COC(=O)c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000057338952 463479434 /nfs/dbraw/zinc/47/94/34/463479434.db2.gz USGFEYWCORBIDG-UHFFFAOYSA-N 0 0 339.174 2.402 40 0 EEABRN COC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1nc2ccccc2s1 ZINC000072207250 463483205 /nfs/dbraw/zinc/48/32/05/463483205.db2.gz MTQBRQFBHSREPL-OLZOCXBDSA-N 0 0 337.353 2.005 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041548818 463493463 /nfs/dbraw/zinc/49/34/63/463493463.db2.gz SGWQDVDGZYPKDV-MRXNPFEDSA-N 0 0 348.790 2.419 40 0 EEABRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000081834484 463499025 /nfs/dbraw/zinc/49/90/25/463499025.db2.gz NBMJVVWFXCPOBM-WDEREUQCSA-N 0 0 328.409 2.124 40 0 EEABRN Cn1ccnc1-c1cnc(N2CCC[C@@H](O)C2)nc1-c1ccco1 ZINC000072340772 463509202 /nfs/dbraw/zinc/50/92/02/463509202.db2.gz DRSJWOXGDVAWDU-GFCCVEGCSA-N 0 0 325.372 2.098 40 0 EEABRN CS(=O)(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1 ZINC000084734733 463625362 /nfs/dbraw/zinc/62/53/62/463625362.db2.gz FKGBRKQMRRGNSE-UHFFFAOYSA-N 0 0 337.332 2.185 40 0 EEABRN CCCS(=O)(=O)Nc1cccc(C(=O)N(C)CC(F)(F)F)c1 ZINC000058915424 463631601 /nfs/dbraw/zinc/63/16/01/463631601.db2.gz FTGNZFZUMOPNSP-UHFFFAOYSA-N 0 0 338.351 2.473 40 0 EEABRN Cc1ccc(-c2nc(CN[C@@H]3CCCN(S(C)(=O)=O)C3)co2)cc1 ZINC000085306818 463644813 /nfs/dbraw/zinc/64/48/13/463644813.db2.gz ACQRSEVDFGZMLQ-OAHLLOKOSA-N 0 0 349.456 2.164 40 0 EEABRN O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000169680705 463671677 /nfs/dbraw/zinc/67/16/77/463671677.db2.gz PAYBRUHLIHKCIH-MJBXVCDLSA-N 0 0 341.436 2.300 40 0 EEABRN C[C@@]1(NC(=O)/C=C/c2c(F)cccc2Cl)CCS(=O)(=O)C1 ZINC000044869781 463696773 /nfs/dbraw/zinc/69/67/73/463696773.db2.gz VELAXRQUOKMAOV-VBROQKIQSA-N 0 0 331.796 2.186 40 0 EEABRN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000044873655 463697490 /nfs/dbraw/zinc/69/74/90/463697490.db2.gz GXAKUOGCPFALFM-CQSZACIVSA-N 0 0 347.392 2.066 40 0 EEABRN CC(C)c1nnc(NC(=O)CCn2c3ccccc3n(C)c2=O)s1 ZINC000044894606 463699023 /nfs/dbraw/zinc/69/90/23/463699023.db2.gz XHIVBGDDZJKXHT-UHFFFAOYSA-N 0 0 345.428 2.344 40 0 EEABRN Cn1cc(-c2cc(CN3CCO[C@H](c4nccs4)C3)on2)cn1 ZINC000185002030 463734678 /nfs/dbraw/zinc/73/46/78/463734678.db2.gz VGVUXKJABJSCIR-AWEZNQCLSA-N 0 0 331.401 2.105 40 0 EEABRN O=C1N(CC2CC2)[C@H]2CC[C@@H](c3cncnc3)[C@H]2N1C1CCOCC1 ZINC000257223291 463756686 /nfs/dbraw/zinc/75/66/86/463756686.db2.gz DWRMEZMNTAVKEL-OKZBNKHCSA-N 0 0 342.443 2.418 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1nc(C)cc(C)n1 ZINC000257228860 463758231 /nfs/dbraw/zinc/75/82/31/463758231.db2.gz FVOJVKLUDGNTOO-MRXNPFEDSA-N 0 0 340.431 2.169 40 0 EEABRN Cn1cncc1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000257284162 463761493 /nfs/dbraw/zinc/76/14/93/463761493.db2.gz PBLOGLHJTXTUFL-OAHLLOKOSA-N 0 0 348.410 2.292 40 0 EEABRN CN(C)c1cccc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257292495 463764732 /nfs/dbraw/zinc/76/47/32/463764732.db2.gz QLUAOGZCWWZPTJ-HNNXBMFYSA-N 0 0 331.441 2.352 40 0 EEABRN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCN1C(=O)C(C)(C)C ZINC000257291918 463764827 /nfs/dbraw/zinc/76/48/27/463764827.db2.gz QJFVZNDKFFPVOL-CYBMUJFWSA-N 0 0 343.431 2.141 40 0 EEABRN Cc1cc(N(C)C)nc([C@H]2COCCN2CCOc2ccccc2)n1 ZINC000257298404 463767663 /nfs/dbraw/zinc/76/76/63/463767663.db2.gz RLLWEIKQXMVLSY-QGZVFWFLSA-N 0 0 342.443 2.303 40 0 EEABRN Cc1cccc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 ZINC000257300584 463768953 /nfs/dbraw/zinc/76/89/53/463768953.db2.gz RUWOPYMLOWLSKE-RTBURBONSA-N 0 0 337.423 2.002 40 0 EEABRN CN(C(=O)c1cnco1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257319422 463775966 /nfs/dbraw/zinc/77/59/66/463775966.db2.gz VSLLITJVGLVZRK-BFYDXBDKSA-N 0 0 330.384 2.498 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccc(=O)[nH]1)C2 ZINC000257321346 463776143 /nfs/dbraw/zinc/77/61/43/463776143.db2.gz WBGCNSMGCZDIOY-NQUFMGSDSA-N 0 0 343.427 2.181 40 0 EEABRN CN1C(=O)CCC[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000257320075 463776446 /nfs/dbraw/zinc/77/64/46/463776446.db2.gz VVGTXOJAEHLBLU-XJKSGUPXSA-N 0 0 326.400 2.036 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H](c3cncc(C)n3)C2)n1 ZINC000257335806 463782961 /nfs/dbraw/zinc/78/29/61/463782961.db2.gz YLYONECLJIHSPG-ZDUSSCGKSA-N 0 0 329.404 2.069 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257338182 463784444 /nfs/dbraw/zinc/78/44/44/463784444.db2.gz YWINOUMUMHDNEH-HNNXBMFYSA-N 0 0 325.478 2.231 40 0 EEABRN COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2cnc(C)cn2)cc1 ZINC000257343300 463787282 /nfs/dbraw/zinc/78/72/82/463787282.db2.gz ZSIGMTSRMIZTFD-KRWDZBQOSA-N 0 0 349.394 2.387 40 0 EEABRN CC(=O)N1CCN(C(=O)c2c(C)noc2C)[C@@H](c2ccccc2)C1 ZINC000257343689 463788212 /nfs/dbraw/zinc/78/82/12/463788212.db2.gz ZUASKYQTNKPHHC-MRXNPFEDSA-N 0 0 327.384 2.337 40 0 EEABRN CCOC(=O)N[C@H]1[C@H](O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2O[C@H]1OC ZINC000257346001 463788776 /nfs/dbraw/zinc/78/87/76/463788776.db2.gz OGNXEDDZAJYKJV-KHHDSSOXSA-N 0 0 349.427 2.417 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCC[C@H](C)C2)n1 ZINC000260742425 463791890 /nfs/dbraw/zinc/79/18/90/463791890.db2.gz WBUNJLCUEPGROI-JTQLQIEISA-N 0 0 343.884 2.299 40 0 EEABRN O=C(CCC1CCCCC1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000177977281 463821587 /nfs/dbraw/zinc/82/15/87/463821587.db2.gz QLTIBFPHUUMMTG-UHFFFAOYSA-N 0 0 345.443 2.020 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ncccc2Br)cn1 ZINC000194798050 463929857 /nfs/dbraw/zinc/92/98/57/463929857.db2.gz SWYZWOIMGNYDKU-UHFFFAOYSA-N 0 0 344.190 2.049 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(=O)c1 ZINC000194840454 463940749 /nfs/dbraw/zinc/94/07/49/463940749.db2.gz FJFQHCWPXLEXKV-ZFWWWQNUSA-N 0 0 332.425 2.207 40 0 EEABRN CCc1nnc([C@@H]2CN(C(=O)c3cccc4cnccc43)CCO2)[nH]1 ZINC000329800782 465438904 /nfs/dbraw/zinc/43/89/04/465438904.db2.gz IUNLWKLWVSCYBM-HNNXBMFYSA-N 0 0 337.383 2.129 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000178902252 464008814 /nfs/dbraw/zinc/00/88/14/464008814.db2.gz NIBYPWOKHYWZMT-HNNXBMFYSA-N 0 0 345.378 2.287 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O ZINC000195192569 464014740 /nfs/dbraw/zinc/01/47/40/464014740.db2.gz VWNBNAMOAQMKGS-BYCMXARLSA-N 0 0 342.436 2.146 40 0 EEABRN CCN1CCO[C@@H](C(=O)N2CCC[C@@H](COc3ccccc3)C2)C1 ZINC000195532419 464073242 /nfs/dbraw/zinc/07/32/42/464073242.db2.gz IGEPWZAGQAOVPC-SJLPKXTDSA-N 0 0 332.444 2.025 40 0 EEABRN Cc1occc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000195568343 464078604 /nfs/dbraw/zinc/07/86/04/464078604.db2.gz PURAEXOXDRFUJC-UHFFFAOYSA-N 0 0 334.397 2.258 40 0 EEABRN C[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H]1C)c1nc2ccccc2s1 ZINC000195574550 464080616 /nfs/dbraw/zinc/08/06/16/464080616.db2.gz VOLCGUGKXOIBJE-GYSYKLTISA-N 0 0 340.470 2.497 40 0 EEABRN C[C@@H](C(=O)NCC1=CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000223703146 464145212 /nfs/dbraw/zinc/14/52/12/464145212.db2.gz DZRNQGDLQAEFCO-AWEZNQCLSA-N 0 0 336.457 2.458 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(F)cc1 ZINC000223667882 464145718 /nfs/dbraw/zinc/14/57/18/464145718.db2.gz MOVJDCXNRQWDKY-UHFFFAOYSA-N 0 0 340.420 2.208 40 0 EEABRN Cc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c(C)c1 ZINC000224220160 464149679 /nfs/dbraw/zinc/14/96/79/464149679.db2.gz JGFAROGSNYHAAG-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224699645 464151788 /nfs/dbraw/zinc/15/17/88/464151788.db2.gz AMJZWYXABRPZQR-QWHCGFSZSA-N 0 0 342.461 2.155 40 0 EEABRN CCc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000225195997 464154854 /nfs/dbraw/zinc/15/48/54/464154854.db2.gz RYMYUCCTLVXWFX-ZDUSSCGKSA-N 0 0 326.462 2.176 40 0 EEABRN OC1(c2csc(CN3CCC3)n2)CCN(Cc2ccccn2)CC1 ZINC000225421824 464158945 /nfs/dbraw/zinc/15/89/45/464158945.db2.gz NXAAPUCXNHQKCF-UHFFFAOYSA-N 0 0 344.484 2.227 40 0 biogenic,in-vitro EEABRN CCOC1(C(=O)NCc2cccc(NS(C)(=O)=O)c2)CCCC1 ZINC000225447990 464161274 /nfs/dbraw/zinc/16/12/74/464161274.db2.gz JVOBDGSUAKSCCP-UHFFFAOYSA-N 0 0 340.445 2.024 40 0 EEABRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cn1 ZINC000225520666 464167381 /nfs/dbraw/zinc/16/73/81/464167381.db2.gz WQWDEGRCNYYUIQ-HNNXBMFYSA-N 0 0 341.459 2.381 40 0 EEABRN COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)C(=O)NCCF ZINC000225688774 464180716 /nfs/dbraw/zinc/18/07/16/464180716.db2.gz VBTDBEUTKHYQIT-LBPRGKRZSA-N 0 0 347.390 2.122 40 0 EEABRN C/C=C1\CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC ZINC000238768868 464437381 /nfs/dbraw/zinc/43/73/81/464437381.db2.gz BDXYPHKGNUGUFG-KWJYUWMKSA-N 0 0 338.407 2.246 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cc(C2CC2)on1 ZINC000239593086 464444041 /nfs/dbraw/zinc/44/40/41/464444041.db2.gz DOJPIPFSVOUCOI-JOCQHMNTSA-N 0 0 328.372 2.462 40 0 EEABRN CCc1ccc([C@H]2CCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)o1 ZINC000241383563 464452426 /nfs/dbraw/zinc/45/24/26/464452426.db2.gz MWFHFCTWBTZFLZ-TZMCWYRMSA-N 0 0 342.461 2.176 40 0 EEABRN COc1ccccc1N1CC[C@H](CNC(=O)c2ncncc2Cl)C1 ZINC000175187785 464501539 /nfs/dbraw/zinc/50/15/39/464501539.db2.gz OHNFGULXNDGVPX-GFCCVEGCSA-N 0 0 346.818 2.395 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)[C@@H]1C ZINC000190053757 464591607 /nfs/dbraw/zinc/59/16/07/464591607.db2.gz VXJUVVJTOMGMOM-HTQZYQBOSA-N 0 0 332.734 2.193 40 0 EEABRN C[C@@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1nnc2ccccn21 ZINC000190631840 464691742 /nfs/dbraw/zinc/69/17/42/464691742.db2.gz MFYAWVFFVZMHDC-FZKQIMNGSA-N 0 0 345.447 2.421 40 0 EEABRN c1cnc(OCC[C@@H]2CCOC3(CN(Cc4ccncc4)C3)C2)cn1 ZINC000247860465 464710667 /nfs/dbraw/zinc/71/06/67/464710667.db2.gz ZZJIZHZRPZRAEA-MRXNPFEDSA-N 0 0 340.427 2.322 40 0 EEABRN Cc1nc(CN2CCC(C(=O)N(C)Cc3ccon3)CC2)cs1 ZINC000265859733 464711724 /nfs/dbraw/zinc/71/17/24/464711724.db2.gz XERLQIDGKZIGPS-UHFFFAOYSA-N 0 0 334.445 2.310 40 0 EEABRN c1cncc(COC[C@@H]2CCOC23CN(Cc2cccnc2)C3)c1 ZINC000247889660 464713672 /nfs/dbraw/zinc/71/36/72/464713672.db2.gz SRFYAVDQNXZPTB-SFHVURJKSA-N 0 0 325.412 2.284 40 0 EEABRN O=C1CNC(=O)N1Cc1ccccc1-c1noc(C2CCCC2)n1 ZINC000273748889 464725635 /nfs/dbraw/zinc/72/56/35/464725635.db2.gz PLQHEOFGVADCJS-UHFFFAOYSA-N 0 0 326.356 2.446 40 0 EEABRN COc1ccnc(N2CCC(C(=O)Nc3ccc(C)nc3C)CC2)n1 ZINC000176297239 464742402 /nfs/dbraw/zinc/74/24/02/464742402.db2.gz HSBKQRQZILBWJD-UHFFFAOYSA-N 0 0 341.415 2.352 40 0 EEABRN O=C(NC[C@@H]1CCCS1)N1CCCN(c2nccs2)CC1 ZINC000176665686 464822721 /nfs/dbraw/zinc/82/27/21/464822721.db2.gz PHEWJNVWCPVFCM-LBPRGKRZSA-N 0 0 326.491 2.260 40 0 EEABRN O=C(NC[C@H]1CCCS1)N1CCCN(c2nccs2)CC1 ZINC000176665706 464822931 /nfs/dbraw/zinc/82/29/31/464822931.db2.gz PHEWJNVWCPVFCM-GFCCVEGCSA-N 0 0 326.491 2.260 40 0 EEABRN CO[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000282523614 464850965 /nfs/dbraw/zinc/85/09/65/464850965.db2.gz LYWBVJHJFFXPEB-JSGCOSHPSA-N 0 0 325.430 2.200 40 0 EEABRN CCn1ncnc1C[NH2+][C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000252497116 464969381 /nfs/dbraw/zinc/96/93/81/464969381.db2.gz PZMVTSCWTVGGHR-HKUYNNGSSA-N 0 0 341.459 2.374 40 0 EEABRN COC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000252527778 464980000 /nfs/dbraw/zinc/98/00/00/464980000.db2.gz DIVCYKUQQIIQHE-CJNGLKHVSA-N 0 0 348.353 2.399 40 0 EEABRN COC(=O)[C@@H](CNC(=O)Cc1ccc(Cl)cn1)c1ccccc1 ZINC000253415350 465003309 /nfs/dbraw/zinc/00/33/09/465003309.db2.gz KZJVYUAQXLKTTB-HNNXBMFYSA-N 0 0 332.787 2.351 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)c1cc3nccnc3cc1F)CC2 ZINC000253419930 465007635 /nfs/dbraw/zinc/00/76/35/465007635.db2.gz DNGUXKXLDBFVHI-GFCCVEGCSA-N 0 0 343.358 2.184 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)c3cnc(C)s3)C2=O)c1 ZINC000253426711 465011638 /nfs/dbraw/zinc/01/16/38/465011638.db2.gz OBIYZRQBDGZWEE-CQSZACIVSA-N 0 0 345.424 2.386 40 0 EEABRN O=C(C1=CCCC1)N1CC2(C1)C[C@@H](OCc1ccccn1)CCO2 ZINC000306130259 466488535 /nfs/dbraw/zinc/48/85/35/466488535.db2.gz JAIJWWLQDDIMRS-KRWDZBQOSA-N 0 0 328.412 2.469 40 0 EEABRN CN1c2ccccc2C2(CCN(Cc3cccnc3)CC2)S1(=O)=O ZINC000306130137 466489463 /nfs/dbraw/zinc/48/94/63/466489463.db2.gz IXGZLJAMFNGGCN-UHFFFAOYSA-N 0 0 343.452 2.353 40 0 EEABRN O=C(CC1CC1)NC[C@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000306132848 466492381 /nfs/dbraw/zinc/49/23/81/466492381.db2.gz LUEKMTXTYJSTCH-MRXNPFEDSA-N 0 0 328.416 2.024 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2COc1ncccc1F)C1(F)CCC1 ZINC000306145005 466496493 /nfs/dbraw/zinc/49/64/93/466496493.db2.gz ZUOKWSJMBXCASV-GFCCVEGCSA-N 0 0 338.354 2.109 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)OCC)c1 ZINC000408585751 466680831 /nfs/dbraw/zinc/68/08/31/466680831.db2.gz JANVLVBACUYWQA-UHFFFAOYSA-N 0 0 330.406 2.342 40 0 EEABRN Cn1ccc([C@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1 ZINC000390828414 467412239 /nfs/dbraw/zinc/41/22/39/467412239.db2.gz AXOUNWUXQPNYHG-AWEZNQCLSA-N 0 0 337.420 2.269 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](Oc1cncc(C)n1)CCO2 ZINC000575403253 468141026 /nfs/dbraw/zinc/14/10/26/468141026.db2.gz GYTJWGPMCRIWMV-CQSZACIVSA-N 0 0 343.383 2.139 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000575403679 468141349 /nfs/dbraw/zinc/14/13/49/468141349.db2.gz JEMOLKXTNYJOOJ-MRXNPFEDSA-N 0 0 344.415 2.112 40 0 EEABRN Cc1nc2ccc(NC(=S)N[C@H]3C=CS(=O)(=O)C3)cc2s1 ZINC000575420814 468143140 /nfs/dbraw/zinc/14/31/40/468143140.db2.gz FHVWPOCXDPVBRG-JTQLQIEISA-N 0 0 339.467 2.202 40 0 EEABRN CC(C)C(=O)N[C@H]1NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000584577913 468902404 /nfs/dbraw/zinc/90/24/04/468902404.db2.gz HEUOPHBTYDIJQH-JTQLQIEISA-N 0 0 330.171 2.148 40 0 EEABRN C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)CC1CC1 ZINC000585096860 468964135 /nfs/dbraw/zinc/96/41/35/468964135.db2.gz BQVUYFRKGZGWRA-ZDUSSCGKSA-N 0 0 344.459 2.188 40 0 EEABRN CCOCCc1cnc2n1CCN(Cc1cccnc1OC)[C@@H]2C ZINC000585096862 468964723 /nfs/dbraw/zinc/96/47/23/468964723.db2.gz BRNVQXCKMPDGRR-CQSZACIVSA-N 0 0 330.432 2.443 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1ccc3ncccc3c1)[C@H]2C ZINC000585097680 468965336 /nfs/dbraw/zinc/96/53/36/468965336.db2.gz PIQFCMORMSFBOJ-LBPRGKRZSA-N 0 0 337.383 2.190 40 0 EEABRN O=C(N[C@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1)C1CC1 ZINC000585102433 468970314 /nfs/dbraw/zinc/97/03/14/468970314.db2.gz OABGKVCZKVWKEW-KRWDZBQOSA-N 0 0 342.439 2.367 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cc(C)cc(C)c1)C2 ZINC000585103481 468970771 /nfs/dbraw/zinc/97/07/71/468970771.db2.gz PESNAYJKTCNYEG-QGZVFWFLSA-N 0 0 337.485 2.329 40 0 EEABRN CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)C3CC(F)C3)C2)C1=O ZINC000585106824 468972282 /nfs/dbraw/zinc/97/22/82/468972282.db2.gz IXNAEVNWHVENNA-GETDIDHLSA-N 0 0 330.403 2.209 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NC1CCC1)CN(Cc1cccs1)C2 ZINC000585110893 468973510 /nfs/dbraw/zinc/97/35/10/468973510.db2.gz VHCKSTBIDXDQLM-AWEZNQCLSA-N 0 0 330.457 2.250 40 0 EEABRN COc1ccccc1-c1n[nH]c2c1CCN(C(=O)[C@@H]1C[C@H]1F)CC2 ZINC000585110302 468973809 /nfs/dbraw/zinc/97/38/09/468973809.db2.gz BVCYPNNHIJPULA-ZIAGYGMSSA-N 0 0 329.375 2.371 40 0 EEABRN O=C(CC1CC1)NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21 ZINC000585112216 468974639 /nfs/dbraw/zinc/97/46/39/468974639.db2.gz LNMFUEMFOYHVTI-QGZVFWFLSA-N 0 0 339.443 2.141 40 0 EEABRN C/C=C(\C)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000585141171 468990690 /nfs/dbraw/zinc/99/06/90/468990690.db2.gz QSNHSBYFFLEBMC-WLRTZDKTSA-N 0 0 331.416 2.119 40 0 EEABRN Cn1ccnc(NCCCc2nc(-c3ccccn3)cs2)c1=O ZINC000585141582 468991396 /nfs/dbraw/zinc/99/13/96/468991396.db2.gz CYDFDXOIRWWMOR-UHFFFAOYSA-N 0 0 327.413 2.344 40 0 EEABRN Cc1cnc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171889 468994657 /nfs/dbraw/zinc/99/46/57/468994657.db2.gz PTXQUYPTGJTKMU-OAHLLOKOSA-N 0 0 335.415 2.140 40 0 EEABRN Cc1ccc(CN2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)cn1 ZINC000585182034 468994894 /nfs/dbraw/zinc/99/48/94/468994894.db2.gz PFTJJTBTAAMGJY-AWEZNQCLSA-N 0 0 334.445 2.244 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccccn3)C2)c1 ZINC000585268915 468997929 /nfs/dbraw/zinc/99/79/29/468997929.db2.gz DLTXOWVRRWICMO-IBGZPJMESA-N 0 0 328.412 2.032 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(C(=O)C3CCCC3)C2)c1 ZINC000585276823 469001766 /nfs/dbraw/zinc/00/17/66/469001766.db2.gz QZMOWHIPYRGJRG-IBGZPJMESA-N 0 0 333.428 2.154 40 0 EEABRN CNc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)n1 ZINC000585277091 469001963 /nfs/dbraw/zinc/00/19/63/469001963.db2.gz SDIQQAVDGCPINO-IRXDYDNUSA-N 0 0 325.412 2.332 40 0 EEABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1ccc(F)c(C)c1 ZINC000585278329 469003854 /nfs/dbraw/zinc/00/38/54/469003854.db2.gz RXGZSQJBKJGGJL-HOTGVXAUSA-N 0 0 336.407 2.280 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 ZINC000585278349 469003858 /nfs/dbraw/zinc/00/38/58/469003858.db2.gz CHDQLXRYCRSOJB-SJLPKXTDSA-N 0 0 345.418 2.324 40 0 EEABRN Cc1cccc(C[C@]2(CO)CN(Cc3ncccc3F)CCO2)c1 ZINC000585278945 469004709 /nfs/dbraw/zinc/00/47/09/469004709.db2.gz XACWVJONOLSXCC-LJQANCHMSA-N 0 0 330.403 2.335 40 0 EEABRN CO[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585280072 469006270 /nfs/dbraw/zinc/00/62/70/469006270.db2.gz XUEZVWPWTWDIFE-AEFFLSMTSA-N 0 0 327.428 2.448 40 0 EEABRN COc1ncccc1C(=O)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585280012 469006671 /nfs/dbraw/zinc/00/66/71/469006671.db2.gz VVDHJMGTCLFUIO-PBHICJAKSA-N 0 0 344.386 2.295 40 0 EEABRN Cc1cncc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000585286191 469010140 /nfs/dbraw/zinc/01/01/40/469010140.db2.gz VESMPMRETCBMCQ-ZTFGCOKTSA-N 0 0 326.396 2.338 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)NCCc3ccco3)CC2)n1 ZINC000608387877 469810872 /nfs/dbraw/zinc/81/08/72/469810872.db2.gz PCKBJNKDAIWQPH-UHFFFAOYSA-N 0 0 349.460 2.158 40 0 EEABRN CC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@@]1(C)O ZINC000604383288 485647416 /nfs/dbraw/zinc/64/74/16/485647416.db2.gz SSSPRVZGIBFFPR-JENIJYKNSA-N 0 0 330.428 2.016 40 0 biogenic,in-vitro EEABRN Cc1c(CNC(=O)NCCCc2nc3ccccc3[nH]2)cnn1C ZINC000159156030 533858468 /nfs/dbraw/zinc/85/84/68/533858468.db2.gz NSGOKGZRRMPOCT-UHFFFAOYSA-N 0 0 326.404 2.037 40 0 EEABRN CCOc1ccc(NC(=O)N2CCC(S(C)(=O)=O)CC2)cc1 ZINC000096098250 517729474 /nfs/dbraw/zinc/72/94/74/517729474.db2.gz BQDUJQBXXWDUGQ-UHFFFAOYSA-N 0 0 326.418 2.126 40 0 EEABRN C[C@@H]1CN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000191031153 534313438 /nfs/dbraw/zinc/31/34/38/534313438.db2.gz DXCLTCPWXBDKRK-YPMHNXCESA-N 0 0 346.349 2.398 40 0 EEABRN CC(C)(C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949874 534702082 /nfs/dbraw/zinc/70/20/82/534702082.db2.gz JWQJCJFPZFZUJF-LBPRGKRZSA-N 0 0 332.853 2.235 40 0 EEABRN COC(=O)[C@@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)on2)C1 ZINC000158658222 523683340 /nfs/dbraw/zinc/68/33/40/523683340.db2.gz DMBSOUNFDXAPIT-CQSZACIVSA-N 0 0 343.383 2.436 40 0 EEABRN COc1ccc(C(=O)NCc2nc(C)c(C)s2)cc1OCCO ZINC000390833800 523716266 /nfs/dbraw/zinc/71/62/66/523716266.db2.gz NHAHCBHBTNDYCL-UHFFFAOYSA-N 0 0 336.413 2.070 40 0 EEABRN CCOC(=O)c1nc(NC(=O)[C@H]2COc3ccccc3C2)oc1C ZINC000191683999 528373605 /nfs/dbraw/zinc/37/36/05/528373605.db2.gz FWBKBLYXTARUBF-GFCCVEGCSA-N 0 0 330.340 2.350 40 0 EEABRN CCCOc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000132532191 528671937 /nfs/dbraw/zinc/67/19/37/528671937.db2.gz HUIMMXNOUJGIFO-IAGOWNOFSA-N 0 0 345.443 2.428 40 0 EEABRN CC[C@](O)(C(=O)N[C@@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000253397582 535877627 /nfs/dbraw/zinc/87/76/27/535877627.db2.gz XLUHADBIYYSNLK-YQQAZPJKSA-N 0 0 341.835 2.248 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)no1 ZINC000257254113 536106038 /nfs/dbraw/zinc/10/60/38/536106038.db2.gz KBRHELTYJAAKCJ-SNVBAGLBSA-N 0 0 340.387 2.110 40 0 EEABRN CCc1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)on1 ZINC000257337393 536113999 /nfs/dbraw/zinc/11/39/99/536113999.db2.gz YSPOFLVJYIJIBS-WMZOPIPTSA-N 0 0 348.374 2.421 40 0 EEABRN COc1ccc(N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)cc1Cl ZINC000225805646 536650118 /nfs/dbraw/zinc/65/01/18/536650118.db2.gz OVRBNTYNMPSTEP-UHFFFAOYSA-N 0 0 332.747 2.190 40 0 EEABRN O=C(Nc1ccnc(OCC(F)(F)F)n1)N1CCn2cccc2C1 ZINC000931697338 1207443635 /nfs/dbraw/zinc/44/36/35/1207443635.db2.gz VSCYDEZJQVTDRW-UHFFFAOYSA-N 0 0 341.293 2.267 40 0 EEABRN Cn1ncc(C2CCC2)c1CNC(=O)c1nnc(-c2ccns2)o1 ZINC000902954661 1239184246 /nfs/dbraw/zinc/18/42/46/1239184246.db2.gz GIHSFQFAPUDVDM-UHFFFAOYSA-N 0 0 344.400 2.124 40 0 EEABRN COc1ccccc1N1CC(=O)N(c2ccccc2OC)CC1=O ZINC000000504133 1349579188 /nfs/dbraw/zinc/57/91/88/1349579188.db2.gz IKRDTVMGNGGNSF-UHFFFAOYSA-N 0 0 326.352 2.084 40 0 EEABRN Cc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095117159 1357763728 /nfs/dbraw/zinc/76/37/28/1357763728.db2.gz UIIRCELSPYOREK-INIZCTEOSA-N 0 0 349.452 2.364 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3COCCC3=O)c3cc(F)cc1c32 ZINC001740816676 1406108948 /nfs/dbraw/zinc/10/89/48/1406108948.db2.gz NMUQFJZKXLQPMN-KUHUBIRLSA-N 0 0 345.370 2.161 40 0 EEABRN COCCCn1cnc2c3cnn(-c4ccccc4)c3nc(C)c2c1=O ZINC001740816714 1406109443 /nfs/dbraw/zinc/10/94/43/1406109443.db2.gz QKFSCEOYQATEBH-UHFFFAOYSA-N 0 0 349.394 2.475 40 0 EEABRN CCCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000199408057 1406142278 /nfs/dbraw/zinc/14/22/78/1406142278.db2.gz BMYIRSBOVZAYLE-HNNXBMFYSA-N 0 0 332.787 2.452 40 0 EEABRN Cn1cnc2c1ncnc2N1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC001548453581 1124295985 /nfs/dbraw/zinc/29/59/85/1124295985.db2.gz GHRMPTRBBUFTLR-AWEZNQCLSA-N 0 0 342.447 2.029 40 0 EEABRN O=C(Cn1ccc2ccccc21)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000050425012 214057165 /nfs/dbraw/zinc/05/71/65/214057165.db2.gz XJRKAFQTWUYALE-HNNXBMFYSA-N 0 0 325.412 2.159 40 0 EEABRN Cc1ccnc2nc(C(=O)NCCc3c[nH]c4cc(F)ccc34)nn21 ZINC000050766380 214069188 /nfs/dbraw/zinc/06/91/88/214069188.db2.gz PIRWBNFHYBLOFP-UHFFFAOYSA-N 0 0 338.346 2.026 40 0 EEABRN CC(C)(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1cccs1 ZINC000053445052 214183547 /nfs/dbraw/zinc/18/35/47/214183547.db2.gz RTONSORYTYCELD-CQSZACIVSA-N 0 0 337.445 2.284 40 0 EEABRN CN(Cc1c(F)cccc1Cl)C(=O)NCc1nnc2n1CCC2 ZINC000055077731 214269255 /nfs/dbraw/zinc/26/92/55/214269255.db2.gz ZDBXIQRVPLVODC-UHFFFAOYSA-N 0 0 337.786 2.358 40 0 EEABRN C[C@H]1NC(=S)N(c2cccc(COC[C@H]3CCCCO3)c2)C1=O ZINC000055179701 214284339 /nfs/dbraw/zinc/28/43/39/214284339.db2.gz GBWVCWQIZBTQME-IUODEOHRSA-N 0 0 334.441 2.382 40 0 EEABRN Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000057773479 214450687 /nfs/dbraw/zinc/45/06/87/214450687.db2.gz KBZVSUYRRXZSNJ-UONOGXRCSA-N 0 0 329.425 2.130 40 0 EEABRN Cc1cccc([C@@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccsc2)c1 ZINC000058162417 214487979 /nfs/dbraw/zinc/48/79/79/214487979.db2.gz IVOFDNAIUTUDMV-CABCVRRESA-N 0 0 325.397 2.368 40 0 EEABRN COc1ccccc1NC(=O)C[C@H]([NH2+]CCc1ccccc1)C(=O)[O-] ZINC000004280028 210159970 /nfs/dbraw/zinc/15/99/70/210159970.db2.gz DAUIOXRHLBPOII-INIZCTEOSA-N 0 0 342.395 2.309 40 0 EEABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000101664497 219153631 /nfs/dbraw/zinc/15/36/31/219153631.db2.gz LGTXZORTQOVSGT-BPUTZDHNSA-N 0 0 342.395 2.053 40 0 EEABRN CN(CCC(=O)NC(N)=O)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096467152 282399456 /nfs/dbraw/zinc/39/94/56/282399456.db2.gz RZFQKSGNJLROMM-LLVKDONJSA-N 0 0 337.729 2.460 40 0 EEABRN Cc1nnc([C@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)s1 ZINC000044204438 213612548 /nfs/dbraw/zinc/61/25/48/213612548.db2.gz UUCINTHKPKNQIY-SWLSCSKDSA-N 0 0 345.424 2.393 40 0 EEABRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC000067603599 215167381 /nfs/dbraw/zinc/16/73/81/215167381.db2.gz AHCDQLHPEIEZQP-ZENOOKHLSA-N 0 0 334.441 2.063 40 0 EEABRN CCn1nc(C)c2c1cnn2CC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000041124185 213420040 /nfs/dbraw/zinc/42/00/40/213420040.db2.gz JTQOGPAZMGRRBQ-LBPRGKRZSA-N 0 0 341.415 2.447 40 0 EEABRN O=C(CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)Nc1ccccc1 ZINC000040555148 213350512 /nfs/dbraw/zinc/35/05/12/213350512.db2.gz LDBHCJYMYJTJSF-CQSZACIVSA-N 0 0 341.342 2.006 40 0 EEABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000069381558 215394230 /nfs/dbraw/zinc/39/42/30/215394230.db2.gz GRHMKMMFACIPQY-LLVKDONJSA-N 0 0 344.333 2.211 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000040487863 213316831 /nfs/dbraw/zinc/31/68/31/213316831.db2.gz AZAQBHGQXPRXML-AWEZNQCLSA-N 0 0 342.395 2.468 40 0 EEABRN O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040288299 213290346 /nfs/dbraw/zinc/29/03/46/213290346.db2.gz UNMRMOZTUPIFKV-OUAUKWLOSA-N 0 0 339.317 2.367 40 0 EEABRN CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)CC1 ZINC000039640175 213241096 /nfs/dbraw/zinc/24/10/96/213241096.db2.gz HFFCMWWOOFNRNX-CYBMUJFWSA-N 0 0 332.473 2.218 40 0 EEABRN Cc1ccc(C(=O)Nc2nnc(SCC(=O)NC3CC3)s2)cc1 ZINC000001371495 209731513 /nfs/dbraw/zinc/73/15/13/209731513.db2.gz BINZFRNIAQGBLV-UHFFFAOYSA-N 0 0 348.453 2.470 40 0 EEABRN Cc1ccccc1OCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038678585 213220882 /nfs/dbraw/zinc/22/08/82/213220882.db2.gz NVODRUUYLCVELR-CVEARBPZSA-N 0 0 338.407 2.181 40 0 EEABRN Cc1cccc2c(O)c(C(=O)NCc3ccc4c(c3)OCO4)cnc12 ZINC000035289509 213018705 /nfs/dbraw/zinc/01/87/05/213018705.db2.gz QKVJSXYMXGVTIJ-UHFFFAOYSA-N 0 0 336.347 2.495 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000189061733 236747279 /nfs/dbraw/zinc/74/72/79/236747279.db2.gz JOHZSNFAYWBZHG-FPTDNZKUSA-N 0 0 340.514 2.472 40 0 EEABRN Nc1nnnn1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000007602458 236895475 /nfs/dbraw/zinc/89/54/75/236895475.db2.gz USXRATXZWXRYRS-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN O=C(N[C@H]1CCC(=O)NC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000072062944 216001788 /nfs/dbraw/zinc/00/17/88/216001788.db2.gz LCJQNHKIHGIPCF-AWEZNQCLSA-N 0 0 346.390 2.305 40 0 EEABRN Cc1cncc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000189783986 237247588 /nfs/dbraw/zinc/24/75/88/237247588.db2.gz ISCAVOPAYSUFTQ-UHFFFAOYSA-N 0 0 343.402 2.252 40 0 EEABRN COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 ZINC000000414656 209577744 /nfs/dbraw/zinc/57/77/44/209577744.db2.gz NFMXLMWDGJITBD-UHFFFAOYSA-N 0 0 339.355 2.240 40 0 EEABRN O=C1OCCC1=CNCCCCCCCCNC=C1CCOC1=O ZINC000031723443 212745497 /nfs/dbraw/zinc/74/54/97/212745497.db2.gz PEEBSBHBBYVVPE-VMNXYWKNSA-N 0 0 336.432 2.168 40 0 EEABRN CSCc1cccc(S(=O)(=O)NCc2c(C)nn(C)c2C)c1 ZINC000072240326 216079736 /nfs/dbraw/zinc/07/97/36/216079736.db2.gz SHZCRVRQUCBFOR-UHFFFAOYSA-N 0 0 339.486 2.378 40 0 EEABRN COc1ccccc1Oc1ccc(C(=O)NCCN2CCOCC2)o1 ZINC000072265318 216086710 /nfs/dbraw/zinc/08/67/10/216086710.db2.gz NLJIIGOHNOZKRE-UHFFFAOYSA-N 0 0 346.383 2.143 40 0 EEABRN C[C@H](C(=O)NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 ZINC000072346817 216161184 /nfs/dbraw/zinc/16/11/84/216161184.db2.gz RVKBMZHORYXZBX-AWEZNQCLSA-N 0 0 337.379 2.423 40 0 EEABRN CS(=O)(=O)N1CCC(Cc2cccc(Nc3ccccn3)n2)CC1 ZINC000072355027 216164082 /nfs/dbraw/zinc/16/40/82/216164082.db2.gz WKFISAXMGMTHTO-UHFFFAOYSA-N 0 0 346.456 2.434 40 0 EEABRN CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COC)C2)n1 ZINC000072378911 216180380 /nfs/dbraw/zinc/18/03/80/216180380.db2.gz OJOBRAIHFNKRIB-CQSZACIVSA-N 0 0 328.416 2.182 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383881 216185847 /nfs/dbraw/zinc/18/58/47/216185847.db2.gz OVISDIAUIYJDJD-CQSZACIVSA-N 0 0 342.399 2.325 40 0 EEABRN c1ccc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1 ZINC000072387269 216186933 /nfs/dbraw/zinc/18/69/33/216186933.db2.gz UAUJBPLFEWEYQD-MRXNPFEDSA-N 0 0 339.443 2.167 40 0 EEABRN CCOc1ncccc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000130777590 223176146 /nfs/dbraw/zinc/17/61/46/223176146.db2.gz NOVJNVXABOLIHG-CQSZACIVSA-N 0 0 326.400 2.274 40 0 EEABRN O=C(NCc1ccc(Cn2cccn2)cc1)C1(O)Cc2ccccc2C1 ZINC000072866616 216322364 /nfs/dbraw/zinc/32/23/64/216322364.db2.gz XPIZGRKBVNCTST-UHFFFAOYSA-N 0 0 347.418 2.078 40 0 EEABRN CC1CCN(C(=O)[C@H]2CCCN(C(=O)CC3(O)CCCC3)C2)CC1 ZINC000073126477 216352932 /nfs/dbraw/zinc/35/29/32/216352932.db2.gz SBTVJBGQVAAUBI-INIZCTEOSA-N 0 0 336.476 2.179 40 0 EEABRN O=C(Cc1ccc(-n2cnnn2)cc1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192079535 239493130 /nfs/dbraw/zinc/49/31/30/239493130.db2.gz KPDATAXWEFSHOU-GOSISDBHSA-N 0 0 349.394 2.027 40 0 EEABRN CC[C@@H](C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)N1CCCC1=O ZINC000074230956 216467359 /nfs/dbraw/zinc/46/73/59/216467359.db2.gz AGNLKFZBBIUMRJ-PBHICJAKSA-N 0 0 340.427 2.451 40 0 EEABRN CCN(CC)CC[NH2+][C@@H](CC(=O)Nc1cccc(C)c1C)C(=O)[O-] ZINC000023473238 212378822 /nfs/dbraw/zinc/37/88/22/212378822.db2.gz PTHVUIWIQXPRRK-INIZCTEOSA-N 0 0 335.448 2.017 40 0 EEABRN C[C@@H]1c2cccn2CCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193412847 240156241 /nfs/dbraw/zinc/15/62/41/240156241.db2.gz DNWWRQBDXYMXET-CQSZACIVSA-N 0 0 346.452 2.372 40 0 EEABRN CCC1(CC)CC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000193661231 240254569 /nfs/dbraw/zinc/25/45/69/240254569.db2.gz AXRACOCXYCMTGP-LLVKDONJSA-N 0 0 348.365 2.353 40 0 EEABRN Cc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000022230486 212284244 /nfs/dbraw/zinc/28/42/44/212284244.db2.gz LVMYHACMICXEOU-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)[C@@H]2CCCc3ccccc32)n(C)n1 ZINC000194410135 240567380 /nfs/dbraw/zinc/56/73/80/240567380.db2.gz CWYMEABRTPHOHR-OAHLLOKOSA-N 0 0 347.440 2.159 40 0 EEABRN CCOC(=O)n1c2ccccc2nc1S[C@@H]1CCS(=O)(=O)C1 ZINC000217357699 241245436 /nfs/dbraw/zinc/24/54/36/241245436.db2.gz PAUGMVHOLGRQEG-SNVBAGLBSA-N 0 0 340.426 2.320 40 0 EEABRN O=C(c1ccc(=O)[nH]n1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219076798 241365052 /nfs/dbraw/zinc/36/50/52/241365052.db2.gz CLDKAVQDIVARSC-CQSZACIVSA-N 0 0 333.388 2.229 40 0 EEABRN CCCN1CCCN(c2ncnc3cc(F)c(OC)cc32)CC1=O ZINC000225490687 241894580 /nfs/dbraw/zinc/89/45/80/241894580.db2.gz GFJVPHINCBGRRA-UHFFFAOYSA-N 0 0 332.379 2.226 40 0 EEABRN CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000225932572 242079785 /nfs/dbraw/zinc/07/97/85/242079785.db2.gz JZIGUCLSQWAYLL-AWEZNQCLSA-N 0 0 326.462 2.229 40 0 EEABRN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CCCO1 ZINC000225757662 242020358 /nfs/dbraw/zinc/02/03/58/242020358.db2.gz XYCSQBUFJRAZNE-CQSZACIVSA-N 0 0 346.456 2.402 40 0 EEABRN Cc1ccc2nc(O)c(C(=O)NCCCc3ccccc3)c(=O)n2c1 ZINC000226822541 242115490 /nfs/dbraw/zinc/11/54/90/242115490.db2.gz CYKZOQXYKKZYDS-UHFFFAOYSA-N 0 0 337.379 2.071 40 0 EEABRN Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccnn2-c2ccccc2)C1 ZINC000241884862 243003219 /nfs/dbraw/zinc/00/32/19/243003219.db2.gz SYKKGWPCHHPMNA-CQSZACIVSA-N 0 0 336.399 2.021 40 0 EEABRN O=C(Cn1ccc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000241810028 243003611 /nfs/dbraw/zinc/00/36/11/243003611.db2.gz SCONXGJWPAEMFL-DLBZAZTESA-N 0 0 326.396 2.172 40 0 EEABRN C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000246733849 243302745 /nfs/dbraw/zinc/30/27/45/243302745.db2.gz JOZVETHWASRBNO-OCCSQVGLSA-N 0 0 344.438 2.285 40 0 EEABRN Cn1cc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)cn1 ZINC000252483389 243774802 /nfs/dbraw/zinc/77/48/02/243774802.db2.gz FAJVCQKCOKGFHB-GFCCVEGCSA-N 0 0 334.445 2.388 40 0 EEABRN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000252495464 243809659 /nfs/dbraw/zinc/80/96/59/243809659.db2.gz OQVNKDYEZKGTQH-MRXNPFEDSA-N 0 0 348.809 2.223 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2OC)cc1 ZINC000020482892 212136847 /nfs/dbraw/zinc/13/68/47/212136847.db2.gz AIENHTSTPKJVHT-UHFFFAOYSA-N 0 0 335.381 2.424 40 0 EEABRN CCOc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000020454358 212131873 /nfs/dbraw/zinc/13/18/73/212131873.db2.gz OFOIHICKCQADCK-UHFFFAOYSA-N 0 0 348.424 2.387 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H]1c1ccccc1 ZINC000257200752 244117120 /nfs/dbraw/zinc/11/71/20/244117120.db2.gz AETPJKSMMSLQJT-GOSISDBHSA-N 0 0 340.427 2.001 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c(O)c1 ZINC000257215114 244162179 /nfs/dbraw/zinc/16/21/79/244162179.db2.gz COTBPRXDXBXTCW-KBAYOESNSA-N 0 0 342.395 2.186 40 0 EEABRN COCC(=O)N1CCC(Cc2ccnc(-c3cc(C)[nH]n3)c2)CC1 ZINC000257216172 244166679 /nfs/dbraw/zinc/16/66/79/244166679.db2.gz CTLCCCRPVZTSMG-UHFFFAOYSA-N 0 0 328.416 2.208 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257222739 244190509 /nfs/dbraw/zinc/19/05/09/244190509.db2.gz DUNFVQBXNPGIJD-INIZCTEOSA-N 0 0 345.374 2.241 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3cnn(C)c3C)CCN2C(C)=O)cc1 ZINC000257223663 244191528 /nfs/dbraw/zinc/19/15/28/244191528.db2.gz DYJNIECZHLSNPT-IBGZPJMESA-N 0 0 342.443 2.143 40 0 EEABRN CN(C)c1nccnc1[C@H]1CN(CCc2ccc(F)cc2)CCO1 ZINC000257223981 244193570 /nfs/dbraw/zinc/19/35/70/244193570.db2.gz DZTKYHKPDONIMW-MRXNPFEDSA-N 0 0 330.407 2.298 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000257225717 244198975 /nfs/dbraw/zinc/19/89/75/244198975.db2.gz FHLFIGQCAYLCBT-BFYDXBDKSA-N 0 0 330.384 2.464 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cccnc1 ZINC000257231772 244217127 /nfs/dbraw/zinc/21/71/27/244217127.db2.gz GIDCVXXVXGPTNB-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN COc1ccccc1[C@H]1CN(c2ccnc(C)n2)CCN1C(C)=O ZINC000257229151 244207828 /nfs/dbraw/zinc/20/78/28/244207828.db2.gz FWWHIDQSYZSFBR-MRXNPFEDSA-N 0 0 326.400 2.203 40 0 EEABRN Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000257245130 244254795 /nfs/dbraw/zinc/25/47/95/244254795.db2.gz IOEBGMNQTHHBLI-CQSZACIVSA-N 0 0 325.416 2.383 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)noc2C)CCN1C ZINC000257232759 244221137 /nfs/dbraw/zinc/22/11/37/244221137.db2.gz GMGRMMSATMRMPT-QGZVFWFLSA-N 0 0 343.427 2.358 40 0 EEABRN CC1(C(N)=O)CCN(C(=O)c2ccnc(Cc3ccccc3)c2)CC1 ZINC000257246893 244257748 /nfs/dbraw/zinc/25/77/48/244257748.db2.gz IWIWDVOMTDATOM-UHFFFAOYSA-N 0 0 337.423 2.400 40 0 EEABRN CNC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250115 244265080 /nfs/dbraw/zinc/26/50/80/244265080.db2.gz JLCBNHZAXDPATI-CYBMUJFWSA-N 0 0 344.390 2.333 40 0 EEABRN Cc1cc(CC[C@@H]2CN(C(=O)Cc3ccccc3C)CCO2)ncn1 ZINC000257249685 244266159 /nfs/dbraw/zinc/26/61/59/244266159.db2.gz JJIVHRBVCGNHCN-LJQANCHMSA-N 0 0 339.439 2.496 40 0 EEABRN COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)C2CCOCC2)c1 ZINC000257249608 244266786 /nfs/dbraw/zinc/26/67/86/244266786.db2.gz JJBHEFJCKSGYEK-KRWDZBQOSA-N 0 0 341.411 2.402 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCCO2)[C@H](OC)C1 ZINC000257256482 244284660 /nfs/dbraw/zinc/28/46/60/244284660.db2.gz KLRJBHWZNXAJOR-MJGOQNOKSA-N 0 0 348.443 2.212 40 0 EEABRN Cc1nccn1CC(=O)N(C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257271789 244379222 /nfs/dbraw/zinc/37/92/22/244379222.db2.gz MZUFNHMPTOAMLH-MRXNPFEDSA-N 0 0 327.432 2.022 40 0 EEABRN Cc1cccc(C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC000257271974 244379857 /nfs/dbraw/zinc/37/98/57/244379857.db2.gz NANXIUXPUPWOGF-HNNXBMFYSA-N 0 0 325.412 2.184 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)c4cn(C)nc4C)CC3)n2n1 ZINC000257271065 244376238 /nfs/dbraw/zinc/37/62/38/244376238.db2.gz MWQJGCKAQGNBCM-UHFFFAOYSA-N 0 0 338.415 2.099 40 0 EEABRN O=C(CCCN1CCCC1=O)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257262836 244352212 /nfs/dbraw/zinc/35/22/12/244352212.db2.gz LNCOPXHCQQEMFP-QGZVFWFLSA-N 0 0 329.444 2.265 40 0 EEABRN Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)c2sccn12 ZINC000257271615 244380831 /nfs/dbraw/zinc/38/08/31/244380831.db2.gz MZBHVQWRDOFABY-LLVKDONJSA-N 0 0 328.463 2.038 40 0 EEABRN CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cccs1 ZINC000257275103 244392176 /nfs/dbraw/zinc/39/21/76/244392176.db2.gz NNXHYWDZGALIIC-KRWDZBQOSA-N 0 0 349.431 2.386 40 0 EEABRN Nc1ncc(-c2ccc(F)cc2)c(C2CN(C(=O)c3cccnc3)C2)n1 ZINC000257276699 244394672 /nfs/dbraw/zinc/39/46/72/244394672.db2.gz NUUIFMIJNJDXTQ-UHFFFAOYSA-N 0 0 349.369 2.500 40 0 EEABRN Nc1cccc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257293833 244443456 /nfs/dbraw/zinc/44/34/56/244443456.db2.gz QRIZAUBONSUFBD-MRXNPFEDSA-N 0 0 329.375 2.336 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)COc3ccccc3Cl)CCO2)n1 ZINC000257312434 244494899 /nfs/dbraw/zinc/49/48/99/244494899.db2.gz UNXUYVDBJVJQJU-MRXNPFEDSA-N 0 0 347.802 2.417 40 0 EEABRN COCc1cccc(C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)c1 ZINC000257332144 244552609 /nfs/dbraw/zinc/55/26/09/244552609.db2.gz XVXQHGAMBWUGAL-DLBZAZTESA-N 0 0 330.428 2.306 40 0 EEABRN O=C([C@@H]1CCC(=O)N1)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719845 212057206 /nfs/dbraw/zinc/05/72/06/212057206.db2.gz ZUGVCHNJWDRFLN-ZDUSSCGKSA-N 0 0 345.399 2.113 40 0 EEABRN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000078393984 217046257 /nfs/dbraw/zinc/04/62/57/217046257.db2.gz XGQDLNAOBYARGT-ZFWWWQNUSA-N 0 0 333.432 2.060 40 0 EEABRN O=C(Cc1cccc(O)c1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000078394335 217046458 /nfs/dbraw/zinc/04/64/58/217046458.db2.gz LWKOOFAIVPEWPM-UHFFFAOYSA-N 0 0 342.370 2.058 40 0 EEABRN CC(C)OC1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000078657704 217096854 /nfs/dbraw/zinc/09/68/54/217096854.db2.gz JTPHNRSIIVOGIY-UHFFFAOYSA-N 0 0 344.333 2.458 40 0 EEABRN Cc1c(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C ZINC000078917091 217147851 /nfs/dbraw/zinc/14/78/51/217147851.db2.gz GUFQJQWJENHTGN-ZDUSSCGKSA-N 0 0 348.397 2.401 40 0 EEABRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CNC(=O)C1CC1 ZINC000079002003 217172408 /nfs/dbraw/zinc/17/24/08/217172408.db2.gz YGCMGCDMTGGHSC-OAHLLOKOSA-N 0 0 336.407 2.262 40 0 EEABRN O=C(CN(Cc1cccnc1)C[C@@H]1CCCO1)Nc1cccnc1 ZINC000079099718 217193593 /nfs/dbraw/zinc/19/35/93/217193593.db2.gz LDUWCOZVEJFLNS-KRWDZBQOSA-N 0 0 326.400 2.096 40 0 EEABRN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccn[nH]1 ZINC000079309613 217207455 /nfs/dbraw/zinc/20/74/55/217207455.db2.gz SRTURQGBGSQWHF-SNVBAGLBSA-N 0 0 340.305 2.317 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccnc2Cl)C1 ZINC000079439194 217225294 /nfs/dbraw/zinc/22/52/94/217225294.db2.gz LKFDLCJWTMCHKK-JTQLQIEISA-N 0 0 325.796 2.474 40 0 EEABRN O=C([O-])[C@H](Cc1ccc(I)cc1)[NH+]1CCCC1 ZINC000225144627 304171235 /nfs/dbraw/zinc/17/12/35/304171235.db2.gz GFFIOAUHECAZSE-LBPRGKRZSA-N 0 0 345.180 2.383 40 0 EEABRN Cn1ccnc1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080114177 217280531 /nfs/dbraw/zinc/28/05/31/217280531.db2.gz ZAYSPVZMZGOEAH-CYBMUJFWSA-N 0 0 333.823 2.152 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c(C)o1 ZINC000080900360 217338478 /nfs/dbraw/zinc/33/84/78/217338478.db2.gz UEANQSGDFLQWJT-IFXJQAMLSA-N 0 0 342.395 2.346 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)c2cc3ccccc3c(=O)[nH]2)c(C)o1 ZINC000080899709 217338190 /nfs/dbraw/zinc/33/81/90/217338190.db2.gz PVTNRRIINQHAJV-IBGZPJMESA-N 0 0 340.379 2.375 40 0 EEABRN CN1CCO[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000081312082 217380535 /nfs/dbraw/zinc/38/05/35/217380535.db2.gz FRJURGJLRLHEQL-AWEZNQCLSA-N 0 0 345.424 2.270 40 0 EEABRN CCOC(=O)[C@@H](CSCSC)NC(=O)/C=C/c1cccnc1 ZINC000013214932 211535570 /nfs/dbraw/zinc/53/55/70/211535570.db2.gz JMJOGQHCDXTJHJ-KTRBRXNASA-N 0 0 340.470 2.196 40 0 EEABRN COC(=O)c1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)cc1 ZINC000012417840 211373642 /nfs/dbraw/zinc/37/36/42/211373642.db2.gz ZHFGXQHEXMNSEA-WQLSENKSSA-N 0 0 328.349 2.078 40 0 EEABRN O=C1CCc2cc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc2N1 ZINC000012364716 211356947 /nfs/dbraw/zinc/35/69/47/211356947.db2.gz LRLAEFCOUYTWQT-WBVHZDCISA-N 0 0 342.420 2.406 40 0 EEABRN CCN(CC)C(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O ZINC000012183435 211312155 /nfs/dbraw/zinc/31/21/55/211312155.db2.gz QJUUVFSHNGMFNL-UHFFFAOYSA-N 0 0 341.415 2.036 40 0 EEABRN Cc1ccc2c(c1)cc(C)c1nn(CC(=O)NC(C)(C)C)c(=O)n12 ZINC000012181995 211311665 /nfs/dbraw/zinc/31/16/65/211311665.db2.gz NXXXRAZHLMQBRY-UHFFFAOYSA-N 0 0 326.400 2.181 40 0 EEABRN Cc1nonc1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1 ZINC000012155667 211309693 /nfs/dbraw/zinc/30/96/93/211309693.db2.gz AYXIAXVEQLEFPB-UHFFFAOYSA-N 0 0 329.356 2.235 40 0 EEABRN Cc1ccc(CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)o1 ZINC000012223314 211323749 /nfs/dbraw/zinc/32/37/49/211323749.db2.gz BVPLLZMRRVKPQW-UHFFFAOYSA-N 0 0 347.440 2.284 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 ZINC000012118786 211298493 /nfs/dbraw/zinc/29/84/93/211298493.db2.gz BPJAPFJDZHYLSN-GXTWGEPZSA-N 0 0 330.388 2.258 40 0 EEABRN CCn1c2ccccc2nc1N1CCC(C(=O)NCCOC)CC1 ZINC000012116377 211295443 /nfs/dbraw/zinc/29/54/43/211295443.db2.gz GDUUTSFEAOAHHE-UHFFFAOYSA-N 0 0 330.432 2.035 40 0 EEABRN CCOc1ccc2[nH]cc(NC(=O)NC[C@H]3CCCO3)c(=O)c2n1 ZINC000012117464 211295490 /nfs/dbraw/zinc/29/54/90/211295490.db2.gz ZNORHSCFDSNQAS-SNVBAGLBSA-N 0 0 332.360 2.035 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1Br ZINC000093441333 218226414 /nfs/dbraw/zinc/22/64/14/218226414.db2.gz JWKRYEZGSZGOIR-JQWIXIFHSA-N 0 0 348.624 2.211 40 0 EEABRN CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCC)c1 ZINC000009063910 211037039 /nfs/dbraw/zinc/03/70/39/211037039.db2.gz WMBBZOGJULKFGJ-UHFFFAOYSA-N 0 0 342.461 2.304 40 0 EEABRN C[C@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000095401116 218335744 /nfs/dbraw/zinc/33/57/44/218335744.db2.gz FINSAAHWBXIJHD-INIZCTEOSA-N 0 0 344.333 2.100 40 0 EEABRN CCN(CC)C(=O)[C@@H](NC(=O)c1ncncc1Cl)c1ccccc1 ZINC000095408440 218344942 /nfs/dbraw/zinc/34/49/42/218344942.db2.gz ITJGLOBNCOBKHD-AWEZNQCLSA-N 0 0 346.818 2.470 40 0 EEABRN Cc1c(CNC(=O)NCc2cccnc2N2CCCCC2)cnn1C ZINC000095442690 218386803 /nfs/dbraw/zinc/38/68/03/218386803.db2.gz NHONQNUVVYUAJY-UHFFFAOYSA-N 0 0 342.447 2.113 40 0 EEABRN C[C@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1c1nncn1C ZINC000095453679 218397510 /nfs/dbraw/zinc/39/75/10/218397510.db2.gz ATJIGDHYHMMMMJ-IUODEOHRSA-N 0 0 347.394 2.268 40 0 EEABRN O=C(Cc1ccsc1)NC[C@H]1OCCc2cn(CC3CC3)nc21 ZINC000096044376 218530027 /nfs/dbraw/zinc/53/00/27/218530027.db2.gz JVDRPUQVDYXFCC-OAHLLOKOSA-N 0 0 331.441 2.327 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(OC)cc1 ZINC000096060554 218553883 /nfs/dbraw/zinc/55/38/83/218553883.db2.gz JCJNXRKFYHDMAX-GOSISDBHSA-N 0 0 342.443 2.443 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@H](OCc2ccccn2)[C@H]2COC[C@H]21 ZINC000096185112 218648097 /nfs/dbraw/zinc/64/80/97/218648097.db2.gz YGPXCEWTNOYQQU-BBWFWOEESA-N 0 0 344.436 2.128 40 0 EEABRN Cc1ccc(CN2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)o1 ZINC000096188417 218656215 /nfs/dbraw/zinc/65/62/15/218656215.db2.gz HHWOSNCUXPVQCN-HNNXBMFYSA-N 0 0 328.416 2.039 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096202255 218676449 /nfs/dbraw/zinc/67/64/49/218676449.db2.gz DKVAFLXJHPOILF-GOSISDBHSA-N 0 0 327.384 2.044 40 0 EEABRN Cc1cnc(N2CCC[C@]3(C2)COCCN(c2nccs2)C3)nc1 ZINC000096229226 218706648 /nfs/dbraw/zinc/70/66/48/218706648.db2.gz DFDAUEFRVQTWCA-QGZVFWFLSA-N 0 0 345.472 2.365 40 0 EEABRN C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000096402373 218750122 /nfs/dbraw/zinc/75/01/22/218750122.db2.gz FIYSTXVILLSJMQ-YJBOKZPZSA-N 0 0 343.427 2.132 40 0 EEABRN CSc1nc2c(c(C)n1)C[C@@H](N1C(=O)c3ccccc3C1=O)O2 ZINC000005921881 210558658 /nfs/dbraw/zinc/55/86/58/210558658.db2.gz KRSINUDSYAHAOW-LBPRGKRZSA-N 0 0 327.365 2.064 40 0 EEABRN COc1ccc(Br)c(NC(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC000096415863 218775569 /nfs/dbraw/zinc/77/55/69/218775569.db2.gz HOHDFFKHYVFMME-JQWIXIFHSA-N 0 0 329.194 2.493 40 0 EEABRN O=C1N2CCN=C2c2cnn(-c3ccccc3)c2N1Cc1ccccn1 ZINC000019374511 296354465 /nfs/dbraw/zinc/35/44/65/296354465.db2.gz NDAFNBOEMGJKIR-UHFFFAOYSA-N 0 0 344.378 2.470 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000096430644 218804475 /nfs/dbraw/zinc/80/44/75/218804475.db2.gz RLDODIHMDQZICC-SNVBAGLBSA-N 0 0 345.226 2.499 40 0 EEABRN C[C@H](CNC(=O)[C@H]1CCOC1)Oc1ccccc1Br ZINC000096451781 218834904 /nfs/dbraw/zinc/83/49/04/218834904.db2.gz GJWNIQKTNHXOIR-MNOVXSKESA-N 0 0 328.206 2.369 40 0 EEABRN O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N1CCC[C@H](O)C1 ZINC000096459756 218843036 /nfs/dbraw/zinc/84/30/36/218843036.db2.gz HSRBPLQTVKXCMB-HOTGVXAUSA-N 0 0 348.834 2.292 40 0 EEABRN CC(C)CO[C@@H]1CCN(C(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000096468951 218848497 /nfs/dbraw/zinc/84/84/97/218848497.db2.gz KXSXXHVZNGJUHR-CMJOXMDJSA-N 0 0 338.473 2.381 40 0 EEABRN C[C@@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000136245117 533061043 /nfs/dbraw/zinc/06/10/43/533061043.db2.gz GYBKLVDJMRPCBY-WQVCFCJDSA-N 0 0 344.386 2.344 40 0 EEABRN CC(C)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1nccs1 ZINC000097095626 218949904 /nfs/dbraw/zinc/94/99/04/218949904.db2.gz UNIKSARIHFIAPU-UHFFFAOYSA-N 0 0 339.367 2.203 40 0 EEABRN O=C(N[C@H]1CCc2c1cccc2F)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103015 218954348 /nfs/dbraw/zinc/95/43/48/218954348.db2.gz CSZSCFXGVNASQA-KRWDZBQOSA-N 0 0 345.418 2.467 40 0 EEABRN COC(=O)C(C)(C)CNC(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000165819133 533139356 /nfs/dbraw/zinc/13/93/56/533139356.db2.gz GIRORMVMXDGNNK-UHFFFAOYSA-N 0 0 334.376 2.215 40 0 EEABRN CCN(CC)S(=O)(=O)c1c[nH]cc(Br)c1=S ZINC000072210854 257690258 /nfs/dbraw/zinc/69/02/58/257690258.db2.gz RGAMSONEYQSIMY-UHFFFAOYSA-N 0 0 325.253 2.163 40 0 EEABRN COc1ccc([C@H](N)c2n[nH]c(-c3cccc(O)c3)n2)cc1OC ZINC000095533814 257700665 /nfs/dbraw/zinc/70/06/65/257700665.db2.gz FKTRBKPVUWZLRT-HNNXBMFYSA-N 0 0 326.356 2.243 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000096446346 533323821 /nfs/dbraw/zinc/32/38/21/533323821.db2.gz CIBVAIGVYPKILO-UHFFFAOYSA-N 0 0 333.413 2.026 40 0 EEABRN CS(=O)(=O)N[C@H]1CCCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000131350722 533415178 /nfs/dbraw/zinc/41/51/78/533415178.db2.gz IXMVUNSAWUEHDS-LBPRGKRZSA-N 0 0 339.848 2.406 40 0 EEABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCCN1C(=O)CNC1=O ZINC000096134040 533479559 /nfs/dbraw/zinc/47/95/59/533479559.db2.gz LLJGXDJRRMMOBK-AWEZNQCLSA-N 0 0 345.443 2.191 40 0 EEABRN Cc1ccc(C)c(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000408702938 533672464 /nfs/dbraw/zinc/67/24/64/533672464.db2.gz KOJNJLQZLALDJK-UHFFFAOYSA-N 0 0 326.462 2.374 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C[C@H](C)O1 ZINC000072238157 296862878 /nfs/dbraw/zinc/86/28/78/296862878.db2.gz QRTZUUSWXNRGED-IATRGZMQSA-N 0 0 336.457 2.293 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1CNc1ncnc2c3ccccc3oc21 ZINC000157476481 224833618 /nfs/dbraw/zinc/83/36/18/224833618.db2.gz YBZQADSQTRNFCS-LLVKDONJSA-N 0 0 346.412 2.212 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@@H]1c1cnco1 ZINC000096260763 288584428 /nfs/dbraw/zinc/58/44/28/288584428.db2.gz WZGNVQMAXGBYJB-XQAQDONZSA-N 0 0 339.395 2.464 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000096412830 288970929 /nfs/dbraw/zinc/97/09/29/288970929.db2.gz MJPGBGYXZKRKMQ-NXEZZACHSA-N 0 0 335.347 2.353 40 0 EEABRN Fc1cnc(N2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096039999 294773629 /nfs/dbraw/zinc/77/36/29/294773629.db2.gz NIADIFOECOOPHY-SJLPKXTDSA-N 0 0 344.390 2.465 40 0 EEABRN Cc1cc(N2CCC[C@@]2(C)c2nc(C)cc(C(=O)N(C)C)n2)ncn1 ZINC000257261612 301337120 /nfs/dbraw/zinc/33/71/20/301337120.db2.gz LIBYBCBNINWHQK-SFHVURJKSA-N 0 0 340.431 2.101 40 0 EEABRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000332317715 311988667 /nfs/dbraw/zinc/98/86/67/311988667.db2.gz KQXDOWJYQJXXBY-QMTHXVAHSA-N 0 0 347.806 2.172 40 0 EEABRN CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nccs1 ZINC000068144674 323319559 /nfs/dbraw/zinc/31/95/59/323319559.db2.gz VVIWMDPHGHJGDG-JTQLQIEISA-N 0 0 340.426 2.343 40 0 EEABRN NC(=O)c1csc(CN2CCNC(=O)[C@H]2c2ccccc2Cl)c1 ZINC000097372944 323322579 /nfs/dbraw/zinc/32/25/79/323322579.db2.gz GZBJNINWXSBVHI-CQSZACIVSA-N 0 0 349.843 2.174 40 0 EEABRN CCCn1ccnc1CCCN(C)S(=O)(=O)N1CCCCCC1 ZINC000192243544 323478118 /nfs/dbraw/zinc/47/81/18/323478118.db2.gz DHLRCHJCTZRLBC-UHFFFAOYSA-N 0 0 342.509 2.278 40 0 EEABRN O=C(Nc1ccc[nH]c1=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000060292241 462541197 /nfs/dbraw/zinc/54/11/97/462541197.db2.gz LWUNYZTZWAZKQU-SNVBAGLBSA-N 0 0 331.759 2.020 40 0 EEABRN CC[C@](Br)(C(=O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096518717 463293542 /nfs/dbraw/zinc/29/35/42/463293542.db2.gz YXHIFNHFCAGJKS-GFCCVEGCSA-N 0 0 334.235 2.387 40 0 EEABRN CCCC1=C[C@@](O)(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000000199874 462547382 /nfs/dbraw/zinc/54/73/82/462547382.db2.gz HRPNWUAUWREQCN-GFCCVEGCSA-N 0 0 336.335 2.488 40 0 EEABRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436638 462547544 /nfs/dbraw/zinc/54/75/44/462547544.db2.gz PUTYAVLWAOPDIW-OAHLLOKOSA-N 0 0 342.361 2.234 40 0 EEABRN O=C(CC1CCCC1)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467649 462549494 /nfs/dbraw/zinc/54/94/94/462549494.db2.gz OBSUDEIPNJMFNP-KRWDZBQOSA-N 0 0 347.434 2.459 40 0 EEABRN CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC ZINC000000384752 462558214 /nfs/dbraw/zinc/55/82/14/462558214.db2.gz UAFIHVRUICMADE-UHFFFAOYSA-N 0 0 330.388 2.123 40 0 in-vitro EEABRN Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2ccccc12 ZINC000000412922 462559060 /nfs/dbraw/zinc/55/90/60/462559060.db2.gz XJOVLHPCMMNMDF-UHFFFAOYSA-N 0 0 337.335 2.072 40 0 EEABRN Cn1c(COc2ccccc2)nnc1SCC(=O)N1CCCCC1 ZINC000000420607 462561167 /nfs/dbraw/zinc/56/11/67/462561167.db2.gz CZGHNPBUYQNINU-UHFFFAOYSA-N 0 0 346.456 2.499 40 0 EEABRN O=C(CSCc1cccc(Cl)c1)NCCCN1CCOCC1 ZINC000045162766 462564074 /nfs/dbraw/zinc/56/40/74/462564074.db2.gz FFSUBDNIVYRHEK-UHFFFAOYSA-N 0 0 342.892 2.412 40 0 EEABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCC[C@@H]1O ZINC000086334077 462570060 /nfs/dbraw/zinc/57/00/60/462570060.db2.gz NKHCZXJFWARJIX-ZANVPECISA-N 0 0 345.226 2.000 40 0 EEABRN Cc1nn(CCC(=O)N[C@H](C)[C@H]2CCCO2)c(C)c1Br ZINC000002779192 462601561 /nfs/dbraw/zinc/60/15/61/462601561.db2.gz NDEWEKFJDBBMMN-BXKDBHETSA-N 0 0 344.253 2.336 40 0 EEABRN COCCn1c(SCC(=O)NCC(C)C)nnc1-c1ccccc1 ZINC000003507842 462621833 /nfs/dbraw/zinc/62/18/33/462621833.db2.gz LIRXXXOVMQWMPS-UHFFFAOYSA-N 0 0 348.472 2.456 40 0 EEABRN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]45O[C@H]4C(=O)C=C[C@]5(O)[C@@H]3CC[C@@]21C ZINC000004292875 462631129 /nfs/dbraw/zinc/63/11/29/462631129.db2.gz GSTJTUIKTZSOQN-CWXGBVPLSA-N 0 0 346.423 2.162 40 0 EEABRN C[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(-c2cncnc2)cc1 ZINC000074940422 462657250 /nfs/dbraw/zinc/65/72/50/462657250.db2.gz DJDYGBKACVFYOB-CXAGYDPISA-N 0 0 326.400 2.371 40 0 EEABRN Cc1sc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000006679474 462695977 /nfs/dbraw/zinc/69/59/77/462695977.db2.gz BORPUIYYGXYZBW-UHFFFAOYSA-N 0 0 338.454 2.237 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000006946475 462714363 /nfs/dbraw/zinc/71/43/63/462714363.db2.gz WRBMOKORJQVFCT-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN COc1cc(S(=O)(=O)NCc2ccccc2OC)ccc1F ZINC000008498793 462785702 /nfs/dbraw/zinc/78/57/02/462785702.db2.gz FALICFWZSRGHBX-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN COc1ccccc1CNC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000047663206 462811971 /nfs/dbraw/zinc/81/19/71/462811971.db2.gz SFAMKWUFPWGUOI-UHFFFAOYSA-N 0 0 344.367 2.302 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CCc2cccc(F)c2)C1 ZINC000076374972 462849973 /nfs/dbraw/zinc/84/99/73/462849973.db2.gz FBJXGSFAZCOJGO-CABCVRRESA-N 0 0 327.421 2.230 40 0 EEABRN Cc1cc(-c2cnn(CCNC(=O)[C@H]3CCCO3)c2C2CC2)on1 ZINC000013226717 462887850 /nfs/dbraw/zinc/88/78/50/462887850.db2.gz LIOKMYOZAFTZPM-CQSZACIVSA-N 0 0 330.388 2.019 40 0 EEABRN CCCNC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712519 462901571 /nfs/dbraw/zinc/90/15/71/462901571.db2.gz SNRBFOJJMPKYTA-CYBMUJFWSA-N 0 0 332.853 2.411 40 0 EEABRN Cc1cc(Br)cc(C(=O)OC[C@@H]2CCCN2C(N)=O)c1 ZINC000155971974 462964419 /nfs/dbraw/zinc/96/44/19/462964419.db2.gz CEMCYFJEELBHJP-LBPRGKRZSA-N 0 0 341.205 2.457 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)NCCc2ccccc2Cl)CCS1(=O)=O ZINC000077350232 462972584 /nfs/dbraw/zinc/97/25/84/462972584.db2.gz DTCZWLQNDDDYAW-NWDGAFQWSA-N 0 0 344.864 2.100 40 0 EEABRN CC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 ZINC000019016939 463012438 /nfs/dbraw/zinc/01/24/38/463012438.db2.gz VSBMCQCOTJOLOR-LBPRGKRZSA-N 0 0 330.363 2.035 40 0 EEABRN COc1ccccc1O[C@H](C)C(=O)N1CCCc2c(cnn2C)C1 ZINC000019079036 463014466 /nfs/dbraw/zinc/01/44/66/463014466.db2.gz LBSPOHWGEAFLHT-CYBMUJFWSA-N 0 0 329.400 2.171 40 0 EEABRN C[S@@](=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000077736497 463033755 /nfs/dbraw/zinc/03/37/55/463033755.db2.gz LQNVSHDHIPSDRL-JOWJHRDDSA-N 0 0 342.420 2.035 40 0 EEABRN CO[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1)c1ccccc1 ZINC000156552533 463039552 /nfs/dbraw/zinc/03/95/52/463039552.db2.gz HPYFCUNLRFMRSR-FUHWJXTLSA-N 0 0 341.411 2.372 40 0 EEABRN Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2C[C@@H]2C)n(C)n1 ZINC000077768442 463042172 /nfs/dbraw/zinc/04/21/72/463042172.db2.gz YKOGKWJXYBDOHB-SGIREYDYSA-N 0 0 326.400 2.181 40 0 EEABRN NC(=O)CC1CCN(C(=O)NCC2(c3ccccc3F)CC2)CC1 ZINC000077793510 463048703 /nfs/dbraw/zinc/04/87/03/463048703.db2.gz JRMRIEKYOGESKR-UHFFFAOYSA-N 0 0 333.407 2.154 40 0 EEABRN Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)n[nH]1 ZINC000095449242 463087341 /nfs/dbraw/zinc/08/73/41/463087341.db2.gz IHDHSNVMYCAXHI-NSHDSACASA-N 0 0 336.798 2.448 40 0 EEABRN Cn1nccc1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000095463687 463089823 /nfs/dbraw/zinc/08/98/23/463089823.db2.gz YEOGSTQDFZILFW-ZDUSSCGKSA-N 0 0 333.823 2.152 40 0 EEABRN O=C(N[C@H]1CCCN(c2cccnn2)C1)C1(c2ccccc2F)CC1 ZINC000135271601 463135754 /nfs/dbraw/zinc/13/57/54/463135754.db2.gz KWRNUWNZOWBCAF-AWEZNQCLSA-N 0 0 340.402 2.433 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096039073 463143556 /nfs/dbraw/zinc/14/35/56/463143556.db2.gz LGQUXVRJABOZSP-IEBWSBKVSA-N 0 0 333.428 2.282 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096039276 463143788 /nfs/dbraw/zinc/14/37/88/463143788.db2.gz OHOHIFAVRRUKGU-HKUYNNGSSA-N 0 0 347.411 2.002 40 0 EEABRN O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)C1CC=CC1 ZINC000096044441 463149044 /nfs/dbraw/zinc/14/90/44/463149044.db2.gz SXSWNXUZWKGCKI-QGZVFWFLSA-N 0 0 345.443 2.006 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048515 463152097 /nfs/dbraw/zinc/15/20/97/463152097.db2.gz NGBZAXIGMKGESN-SUMWQHHRSA-N 0 0 346.362 2.085 40 0 EEABRN Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@@H]2C)o1 ZINC000096062066 463161127 /nfs/dbraw/zinc/16/11/27/463161127.db2.gz FSTWHVFQXAOODL-ZDUSSCGKSA-N 0 0 325.372 2.246 40 0 EEABRN Cc1ccc(N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)nn1 ZINC000096074008 463167429 /nfs/dbraw/zinc/16/74/29/463167429.db2.gz PZHBOJBIATUSME-IBGZPJMESA-N 0 0 337.427 2.199 40 0 EEABRN Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2ccco2)C3)cs1 ZINC000096108914 463177219 /nfs/dbraw/zinc/17/72/19/463177219.db2.gz VRTHFTYMEYFVLG-DYVFJYSZSA-N 0 0 348.424 2.350 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccco1 ZINC000026946393 463178066 /nfs/dbraw/zinc/17/80/66/463178066.db2.gz CXFALKSNJWUNFH-UHFFFAOYSA-N 0 0 348.424 2.303 40 0 EEABRN O=C(c1ccno1)N1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112006 463179527 /nfs/dbraw/zinc/17/95/27/463179527.db2.gz ISYZAQUKOTYRNY-YGRLFVJLSA-N 0 0 331.303 2.195 40 0 biogenic,in-vitro EEABRN Cc1ccoc1C(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 ZINC000096110933 463180326 /nfs/dbraw/zinc/18/03/26/463180326.db2.gz PMQGKROUHLAVCG-JKSUJKDBSA-N 0 0 330.384 2.154 40 0 EEABRN O=S(=O)(C1CC1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119156 463180648 /nfs/dbraw/zinc/18/06/48/463180648.db2.gz DGSKRRLQPWQEPX-SNVBAGLBSA-N 0 0 339.442 2.470 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccccc2F)n1 ZINC000096120922 463181973 /nfs/dbraw/zinc/18/19/73/463181973.db2.gz NFMKSAXRPLHFPP-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)o1 ZINC000096181579 463194217 /nfs/dbraw/zinc/19/42/17/463194217.db2.gz DGZVYVMJXINGLE-MSOLQXFVSA-N 0 0 342.395 2.111 40 0 EEABRN O=C(COCc1nc(-c2cccnc2)no1)NCCc1ccccc1 ZINC000096182105 463194319 /nfs/dbraw/zinc/19/43/19/463194319.db2.gz GJQVGNIQURGJIC-UHFFFAOYSA-N 0 0 338.367 2.007 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000096181810 463194867 /nfs/dbraw/zinc/19/48/67/463194867.db2.gz VNJBPARTKKIGCK-SJORKVTESA-N 0 0 334.391 2.127 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1ccncc1 ZINC000096186398 463196904 /nfs/dbraw/zinc/19/69/04/463196904.db2.gz FYSYSNKYNGSTRH-OALUTQOASA-N 0 0 349.434 2.416 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC000096186119 463197718 /nfs/dbraw/zinc/19/77/18/463197718.db2.gz NCKFCFAUYDVYIV-BZSNNMDCSA-N 0 0 339.395 2.318 40 0 EEABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)Cc2ccccc2)O1 ZINC000096186646 463199395 /nfs/dbraw/zinc/19/93/95/463199395.db2.gz AFRKIOUMAQYJRO-IKGGRYGDSA-N 0 0 339.457 2.175 40 0 EEABRN O=C(C1CCC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096188000 463200571 /nfs/dbraw/zinc/20/05/71/463200571.db2.gz KEHUYKNWHLWVCY-CQSZACIVSA-N 0 0 326.400 2.116 40 0 EEABRN Cc1ccc2c(n1)N(Cc1ccncc1)CCN(C(=O)NC1CC1)C2 ZINC000096199105 463204186 /nfs/dbraw/zinc/20/41/86/463204186.db2.gz DLGWUIAHVQYHRU-UHFFFAOYSA-N 0 0 337.427 2.479 40 0 EEABRN COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096198131 463204344 /nfs/dbraw/zinc/20/43/44/463204344.db2.gz HOYIYLAXZDUSLW-INIZCTEOSA-N 0 0 340.427 2.003 40 0 EEABRN O=C([O-])[C@@H]1C[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1ccccc1 ZINC000096198719 463204920 /nfs/dbraw/zinc/20/49/20/463204920.db2.gz LHBBUBQNLJBXSK-IRXDYDNUSA-N 0 0 330.428 2.159 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H]1Cc1cnn(C)c1 ZINC000096200613 463205699 /nfs/dbraw/zinc/20/56/99/463205699.db2.gz BUVOTZZGWLGFHD-ROUUACIJSA-N 0 0 338.411 2.374 40 0 EEABRN O=C(C1CC=CC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202223 463207566 /nfs/dbraw/zinc/20/75/66/463207566.db2.gz XUQTZRYCZFJQRM-GOSISDBHSA-N 0 0 347.484 2.160 40 0 EEABRN Cc1ccc(N2CCO[C@H]3CN(Cc4ccoc4)CC[C@H]3C2=O)cn1 ZINC000096206836 463208818 /nfs/dbraw/zinc/20/88/18/463208818.db2.gz GKBJOYORQBENTJ-MSOLQXFVSA-N 0 0 341.411 2.237 40 0 EEABRN Cn1cc(CN2CCOC[C@H]2c2csc(NCC3CC3)n2)cn1 ZINC000096218028 463215216 /nfs/dbraw/zinc/21/52/16/463215216.db2.gz UGQQYKXJBNADNF-HNNXBMFYSA-N 0 0 333.461 2.272 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096224544 463220709 /nfs/dbraw/zinc/22/07/09/463220709.db2.gz RMJWJJMRUKDUNU-IBGZPJMESA-N 0 0 336.395 2.136 40 0 EEABRN Cc1cccc(CN2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226790 463220882 /nfs/dbraw/zinc/22/08/82/463220882.db2.gz QUSIRBICXBEPMR-LJQANCHMSA-N 0 0 331.460 2.239 40 0 EEABRN Cc1ccccc1N1C[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O ZINC000096238654 463223857 /nfs/dbraw/zinc/22/38/57/463223857.db2.gz FJIRYESSGVAOSN-VQIMIIECSA-N 0 0 328.412 2.129 40 0 EEABRN Cc1cccc(COCc2n[nH]c3c2CN(C(=O)NC2CC2)C3)n1 ZINC000096260241 463229756 /nfs/dbraw/zinc/22/97/56/463229756.db2.gz KIZBGZFJRTYZHO-UHFFFAOYSA-N 0 0 327.388 2.018 40 0 EEABRN CCOCc1ncn2c1CN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000096260162 463229952 /nfs/dbraw/zinc/22/99/52/463229952.db2.gz CWRBHYAZCQDGMP-UHFFFAOYSA-N 0 0 330.388 2.476 40 0 EEABRN CC(C)N1CC2(CCN(S(C)(=O)=O)CC2)c2cc(F)ccc21 ZINC000096261820 463231133 /nfs/dbraw/zinc/23/11/33/463231133.db2.gz BGJSHXPQWBVXIV-UHFFFAOYSA-N 0 0 326.437 2.347 40 0 EEABRN C[C@@H](C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O)n1cccn1 ZINC000096406481 463240020 /nfs/dbraw/zinc/24/00/20/463240020.db2.gz HVWFLGQSIFNTDW-GOEBONIOSA-N 0 0 326.400 2.098 40 0 EEABRN O=C(Nc1ccccc1)c1ccc(N2CCC[C@H](n3cncn3)C2)nn1 ZINC000096413731 463245965 /nfs/dbraw/zinc/24/59/65/463245965.db2.gz OUQGVYIHIYVMFT-HNNXBMFYSA-N 0 0 349.398 2.162 40 0 EEABRN Cc1cc(F)ccc1S(=O)(=O)Oc1cccc(-n2cncn2)c1 ZINC000096413256 463246120 /nfs/dbraw/zinc/24/61/20/463246120.db2.gz KOLAMKHYQRYKNV-UHFFFAOYSA-N 0 0 333.344 2.483 40 0 EEABRN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCS(=O)CC1 ZINC000096424191 463255233 /nfs/dbraw/zinc/25/52/33/463255233.db2.gz MNYDTEDSKCXOIN-LLVKDONJSA-N 0 0 339.848 2.439 40 0 EEABRN O=C1O[C@H](CN2CCN(c3ccccn3)CC2)CN1c1ccccc1 ZINC000096424128 463255463 /nfs/dbraw/zinc/25/54/63/463255463.db2.gz MLYITQQCAJBREZ-QGZVFWFLSA-N 0 0 338.411 2.229 40 0 EEABRN COc1nc(C)ccc1CNC(=O)c1ccc(-n2cncn2)cc1C ZINC000096426379 463255668 /nfs/dbraw/zinc/25/56/68/463255668.db2.gz PDJRJSUCSDSVOC-UHFFFAOYSA-N 0 0 337.383 2.218 40 0 EEABRN O=C(NCCCCn1ccnc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096426514 463255804 /nfs/dbraw/zinc/25/58/04/463255804.db2.gz ZWIYOKRVUCYAGV-JKSUJKDBSA-N 0 0 341.411 2.354 40 0 EEABRN CCc1cnc(CCNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000096428661 463258340 /nfs/dbraw/zinc/25/83/40/463258340.db2.gz FVHXWHOUVJNNLK-VXGBXAGGSA-N 0 0 331.507 2.060 40 0 EEABRN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)n1C ZINC000096430456 463260141 /nfs/dbraw/zinc/26/01/41/463260141.db2.gz IASCQJTZPHDOFA-GOSISDBHSA-N 0 0 339.439 2.449 40 0 EEABRN Cc1ccc(O[C@@H](C)CNC(=O)c2ccnc(-n3cncn3)c2)cc1 ZINC000096431398 463261060 /nfs/dbraw/zinc/26/10/60/463261060.db2.gz QNHWAYPXNGPAHW-AWEZNQCLSA-N 0 0 337.383 2.168 40 0 EEABRN C[C@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCO1 ZINC000096435233 463263525 /nfs/dbraw/zinc/26/35/25/463263525.db2.gz GDRQUJQVODISFK-DZGCQCFKSA-N 0 0 329.404 2.210 40 0 EEABRN Cc1cccc2nc(CSc3nnc([C@H]4CCCCO4)n3N)cn21 ZINC000096436688 463265087 /nfs/dbraw/zinc/26/50/87/463265087.db2.gz XTRGWHRLIZMYPY-CYBMUJFWSA-N 0 0 344.444 2.482 40 0 EEABRN CSC(C)(C)CNC(=O)NCc1cccc(Cn2cncn2)c1 ZINC000096439120 463265949 /nfs/dbraw/zinc/26/59/49/463265949.db2.gz SRVIRLKWOQVGLA-UHFFFAOYSA-N 0 0 333.461 2.267 40 0 EEABRN C[S@](=O)C[C@H](NC(=O)c1[nH]nc2ccccc21)c1ccccc1 ZINC000096445481 463269812 /nfs/dbraw/zinc/26/98/12/463269812.db2.gz BKQORIXNEIXTFC-NPMXOYFQSA-N 0 0 327.409 2.413 40 0 EEABRN CS(=O)(=O)CCCc1nc(-c2ccc(Br)o2)no1 ZINC000096448222 463271017 /nfs/dbraw/zinc/27/10/17/463271017.db2.gz SLNFJTCQKJRDQW-UHFFFAOYSA-N 0 0 335.179 2.069 40 0 EEABRN C[S@@](=O)C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000096449708 463272060 /nfs/dbraw/zinc/27/20/60/463272060.db2.gz GWNGCYFXZGKASZ-MWTRTKDXSA-N 0 0 327.409 2.413 40 0 EEABRN O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1=CCCC1 ZINC000096472267 463278514 /nfs/dbraw/zinc/27/85/14/463278514.db2.gz YLWOADOBXSRIGT-UHFFFAOYSA-N 0 0 348.468 2.314 40 0 EEABRN CC(C)[C@@H](C)S(=O)(=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000096475683 463279867 /nfs/dbraw/zinc/27/98/67/463279867.db2.gz WURJRPNZLUWCGE-NWDGAFQWSA-N 0 0 347.427 2.471 40 0 EEABRN O=C(COC(=O)c1ccncc1Br)NC1CCCCC1 ZINC000096476178 463280181 /nfs/dbraw/zinc/28/01/81/463280181.db2.gz ABRVNIMOBBBHBH-UHFFFAOYSA-N 0 0 341.205 2.450 40 0 EEABRN O=C1[C@@H](N[C@@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494475 463289259 /nfs/dbraw/zinc/28/92/59/463289259.db2.gz VIDAUSCPBJZNTQ-KGLIPLIRSA-N 0 0 349.797 2.301 40 0 EEABRN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1ccncc1 ZINC000069673940 463300578 /nfs/dbraw/zinc/30/05/78/463300578.db2.gz ZHMBAXGOCQZLTK-UHFFFAOYSA-N 0 0 331.397 2.318 40 0 EEABRN CN1CCN(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000097023699 463305585 /nfs/dbraw/zinc/30/55/85/463305585.db2.gz JPYMVTCXHDCCEE-UHFFFAOYSA-N 0 0 335.404 2.347 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc2c1OCCCO2 ZINC000056044403 463371870 /nfs/dbraw/zinc/37/18/70/463371870.db2.gz JQFMIGMANWFRHY-CQSZACIVSA-N 0 0 348.424 2.204 40 0 EEABRN COc1cc(C)sc1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000070786133 463384611 /nfs/dbraw/zinc/38/46/11/463384611.db2.gz ZSHISYUMPKBGFK-UHFFFAOYSA-N 0 0 333.348 2.432 40 0 EEABRN CCOC(=O)N1CCN(C(=S)Nc2ccc3ncncc3c2)CC1 ZINC000033612631 463422653 /nfs/dbraw/zinc/42/26/53/463422653.db2.gz FZLNCFGBDPQSOP-UHFFFAOYSA-N 0 0 345.428 2.101 40 0 EEABRN Cc1cc([O-])c2c(=O)c3ccoc3c(OC[C@@H](O)C[NH2+]C(C)C)c-2o1 ZINC000033650026 463424184 /nfs/dbraw/zinc/42/41/84/463424184.db2.gz KCPBQMACNLBNSA-NSHDSACASA-N 0 0 347.367 2.291 40 0 in-man EEABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1CC[C@H](O)C2=O ZINC000036371968 463435833 /nfs/dbraw/zinc/43/58/33/463435833.db2.gz VVINKEMRHIOYTI-IBAQZLPHSA-N 0 0 334.456 2.499 40 0 EEABRN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000040778509 463463777 /nfs/dbraw/zinc/46/37/77/463463777.db2.gz RYYQBFJKHVEDGP-GOSISDBHSA-N 0 0 340.335 2.452 40 0 EEABRN CN1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000041184816 463472505 /nfs/dbraw/zinc/47/25/05/463472505.db2.gz DVRUFBWCNPASRS-UHFFFAOYSA-N 0 0 334.807 2.097 40 0 EEABRN Cc1nnc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)s1 ZINC000057279307 463474506 /nfs/dbraw/zinc/47/45/06/463474506.db2.gz CCGIKNAASKBJGH-UHFFFAOYSA-N 0 0 348.413 2.146 40 0 EEABRN COC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1nc2ccccc2s1 ZINC000072207252 463482625 /nfs/dbraw/zinc/48/26/25/463482625.db2.gz MTQBRQFBHSREPL-CHWSQXEVSA-N 0 0 337.353 2.005 40 0 EEABRN O=C(NCc1nccn1CCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000083006303 463528139 /nfs/dbraw/zinc/52/81/39/463528139.db2.gz MHXUZOJTMLIPRD-IBGZPJMESA-N 0 0 335.407 2.476 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(O)c(Cl)c1 ZINC000058290601 463570577 /nfs/dbraw/zinc/57/05/77/463570577.db2.gz IOXSKVHBSLAVCS-LBPRGKRZSA-N 0 0 326.805 2.402 40 0 EEABRN O=C(c1cncc(F)c1)N1CCC[C@@]2(CCN(CC3CC3)C2=O)CC1 ZINC000108529015 463610458 /nfs/dbraw/zinc/61/04/58/463610458.db2.gz VVCXDZJJELSNKT-IBGZPJMESA-N 0 0 345.418 2.476 40 0 EEABRN C[C@@H]1CCCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000084697672 463623823 /nfs/dbraw/zinc/62/38/23/463623823.db2.gz RCFNKBQXOSPCHT-CZUORRHYSA-N 0 0 328.412 2.154 40 0 EEABRN CCC[C@@H]1CCc2c(sc(=O)n2CC(=O)Nc2cc(C)nn2C)C1 ZINC000085263295 463642218 /nfs/dbraw/zinc/64/22/18/463642218.db2.gz FMJGTQRUQFVXGE-GFCCVEGCSA-N 0 0 348.472 2.495 40 0 EEABRN CCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000059506693 463644804 /nfs/dbraw/zinc/64/48/04/463644804.db2.gz WOFQNFKPHDKBSA-UHFFFAOYSA-N 0 0 336.432 2.059 40 0 EEABRN CN(C)c1cccc(C(=O)NCCOc2ccc3c(c2)OCO3)c1 ZINC000044741953 463692150 /nfs/dbraw/zinc/69/21/50/463692150.db2.gz DMSAQAKVTDVSBJ-UHFFFAOYSA-N 0 0 328.368 2.290 40 0 EEABRN CC(C)C(=O)N1CCC[C@@H](Cc2cc(-c3nccn3C)ncn2)C1 ZINC000257279980 463759827 /nfs/dbraw/zinc/75/98/27/463759827.db2.gz OIZMFGIYCLIZQL-AWEZNQCLSA-N 0 0 327.432 2.314 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)nc(C)n1 ZINC000257283931 463761208 /nfs/dbraw/zinc/76/12/08/463761208.db2.gz PANBKGNJKYLMCD-INIZCTEOSA-N 0 0 337.383 2.183 40 0 EEABRN Cc1cc(N(C)C)cc([C@@H]2CN(Cc3cnc(C)nc3)CCO2)n1 ZINC000257302207 463769367 /nfs/dbraw/zinc/76/93/67/463769367.db2.gz SBYLACKOHTTYKK-SFHVURJKSA-N 0 0 327.432 2.128 40 0 EEABRN Cc1ccc(N2CCC(C)(C(=O)NCc3ccccn3)CC2)nn1 ZINC000257305217 463770511 /nfs/dbraw/zinc/77/05/11/463770511.db2.gz SOXYJYJBLAXIJM-UHFFFAOYSA-N 0 0 325.416 2.103 40 0 EEABRN CCn1cc(CN2CCC[C@H]2c2ccnc(CNC(C)=O)c2)cn1 ZINC000257309430 463771762 /nfs/dbraw/zinc/77/17/62/463771762.db2.gz UAXACDTTWSEMCN-SFHVURJKSA-N 0 0 327.432 2.271 40 0 EEABRN Cc1nc(C)c(CC(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1 ZINC000257311700 463773141 /nfs/dbraw/zinc/77/31/41/463773141.db2.gz UKRIPZPWULSAGN-ZDUSSCGKSA-N 0 0 346.456 2.303 40 0 EEABRN Cc1c(CCC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257319994 463776614 /nfs/dbraw/zinc/77/66/14/463776614.db2.gz VUXOHYKHBGPRGC-KRWDZBQOSA-N 0 0 341.459 2.184 40 0 EEABRN Cc1nc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321304 463776717 /nfs/dbraw/zinc/77/67/17/463776717.db2.gz WBBKNCXRKKTPPX-MRXNPFEDSA-N 0 0 333.363 2.082 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2C(C)(C)C)[C@H]1O ZINC000257333163 463780809 /nfs/dbraw/zinc/78/08/09/463780809.db2.gz YAKYPCLKAGVLOU-QGPMSJSTSA-N 0 0 335.444 2.408 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257333611 463783147 /nfs/dbraw/zinc/78/31/47/463783147.db2.gz YCHAIQXWRRRKSF-LPHOPBHVSA-N 0 0 330.428 2.288 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257341186 463785670 /nfs/dbraw/zinc/78/56/70/463785670.db2.gz ZJEUFSTVNBARMV-SFHVURJKSA-N 0 0 348.406 2.499 40 0 EEABRN c1cc2c(C[C@H]3COCCN(Cc4cncs4)C3)nccn2c1 ZINC000257341976 463786435 /nfs/dbraw/zinc/78/64/35/463786435.db2.gz ZMPKBMSRBFRTFW-CQSZACIVSA-N 0 0 328.441 2.482 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260746320 463792202 /nfs/dbraw/zinc/79/22/02/463792202.db2.gz VVIIALPMIRLERS-DOMZBBRYSA-N 0 0 342.461 2.155 40 0 EEABRN COc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@H]2C)cc1OC ZINC000260746623 463792310 /nfs/dbraw/zinc/79/23/10/463792310.db2.gz ANOBDQGSWKXHCF-LLVKDONJSA-N 0 0 348.424 2.426 40 0 EEABRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1C[C@@H](O)C[C@H]1CO ZINC000185908711 463902900 /nfs/dbraw/zinc/90/29/00/463902900.db2.gz BLJMZSVXIUZFEQ-YRRQLQLVSA-N 0 0 330.211 2.051 40 0 EEABRN Cc1cc(F)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000194737509 463918261 /nfs/dbraw/zinc/91/82/61/463918261.db2.gz VXLBSTWXDQJTSK-UHFFFAOYSA-N 0 0 332.169 2.134 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccn3C)CC2)no1 ZINC000195547400 464074243 /nfs/dbraw/zinc/07/42/43/464074243.db2.gz SHPXEXSPHRLWRK-UHFFFAOYSA-N 0 0 344.415 2.171 40 0 EEABRN C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1CC(F)(F)F ZINC000195546954 464074846 /nfs/dbraw/zinc/07/48/46/464074846.db2.gz FVQWCCVWQAAVJC-GHMZBOCLSA-N 0 0 325.400 2.160 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000195556831 464076431 /nfs/dbraw/zinc/07/64/31/464076431.db2.gz CJPMMLKQOYAKDC-WBVHZDCISA-N 0 0 328.343 2.233 40 0 EEABRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1cccc(=O)n1C ZINC000195563097 464077162 /nfs/dbraw/zinc/07/71/62/464077162.db2.gz DBUQYQRFNJSWLY-QGZVFWFLSA-N 0 0 328.412 2.045 40 0 EEABRN O=S(=O)(C1=Cc2ccccc2OC1)N1CCC[C@H](n2cccn2)C1 ZINC000195578779 464080781 /nfs/dbraw/zinc/08/07/81/464080781.db2.gz UBVTVJUBWOLLJF-HNNXBMFYSA-N 0 0 345.424 2.283 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(COC)C(N)=S ZINC000218514954 464108713 /nfs/dbraw/zinc/10/87/13/464108713.db2.gz GYJOMULQFNGHQJ-YRGRVCCFSA-N 0 0 347.889 2.159 40 0 EEABRN COc1cc(OC)cc(OCC(=O)NCCOCc2ccccc2)c1 ZINC000224254699 464149941 /nfs/dbraw/zinc/14/99/41/464149941.db2.gz UOIJADZBOVPQCZ-UHFFFAOYSA-N 0 0 345.395 2.416 40 0 EEABRN CN(Cc1ccco1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224511636 464151249 /nfs/dbraw/zinc/15/12/49/464151249.db2.gz GRSRQSRLTRCOQR-UHFFFAOYSA-N 0 0 348.424 2.482 40 0 EEABRN Cc1cc(C)cc(C(=O)N2CCN(C(=O)C3CCC(O)CC3)CC2)c1 ZINC000225401166 464157227 /nfs/dbraw/zinc/15/72/27/464157227.db2.gz UXEHOSLNSJPNTA-UHFFFAOYSA-N 0 0 344.455 2.139 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NCc1ccncc1)CCCC2 ZINC000225422251 464158970 /nfs/dbraw/zinc/15/89/70/464158970.db2.gz CDOUFDNOKWFNIM-UHFFFAOYSA-N 0 0 332.425 2.448 40 0 EEABRN O=C1NCCN(CCOCC(F)F)[C@H]1c1c(F)cccc1Cl ZINC000225548658 464171307 /nfs/dbraw/zinc/17/13/07/464171307.db2.gz AZVLKUPOVJUIKJ-ZDUSSCGKSA-N 0 0 336.741 2.234 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000225675939 464179163 /nfs/dbraw/zinc/17/91/63/464179163.db2.gz XGTDYKOHKSAMBO-WCQYABFASA-N 0 0 333.400 2.194 40 0 EEABRN CSc1ccccc1[C@@H](C)NC(=O)NCCCN1C(=O)CCC1=O ZINC000225692913 464180455 /nfs/dbraw/zinc/18/04/55/464180455.db2.gz NRRNYJWADOTJMC-GFCCVEGCSA-N 0 0 349.456 2.308 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2nccn2CC(F)(F)F)[C@H]2CCO[C@H]21 ZINC000230153378 464204088 /nfs/dbraw/zinc/20/40/88/464204088.db2.gz JOHQNPYPGGMGAZ-YUSALJHKSA-N 0 0 346.353 2.058 40 0 EEABRN O=C1C(=O)N(Cc2cnoc2C2CC2)C(=O)N1CCc1cccs1 ZINC000271387481 464297907 /nfs/dbraw/zinc/29/79/07/464297907.db2.gz QHUMFYITMUARAL-UHFFFAOYSA-N 0 0 345.380 2.147 40 0 EEABRN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000173716581 464311079 /nfs/dbraw/zinc/31/10/79/464311079.db2.gz FYZMYOXUMXALAG-MFKMUULPSA-N 0 0 336.775 2.103 40 0 EEABRN COC1(CNC(=O)c2cc(=O)c3ccccc3o2)CCSCC1 ZINC000245053527 464466939 /nfs/dbraw/zinc/46/69/39/464466939.db2.gz OYFZKUDTQPHKFA-UHFFFAOYSA-N 0 0 333.409 2.435 40 0 EEABRN Cc1cc(I)cn(CCOCC(F)F)c1=O ZINC000189330850 464477681 /nfs/dbraw/zinc/47/76/81/464477681.db2.gz FRHWTVUHYMIBKC-UHFFFAOYSA-N 0 0 343.111 2.043 40 0 EEABRN O=C(Cn1ccnn1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000189446830 464506230 /nfs/dbraw/zinc/50/62/30/464506230.db2.gz TULIKVYFGJKMIN-UHFFFAOYSA-N 0 0 349.232 2.479 40 0 EEABRN CO[C@@H]1Cn2nccc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000247828270 464709481 /nfs/dbraw/zinc/70/94/81/464709481.db2.gz GLMILHHQVWUYMJ-SFHVURJKSA-N 0 0 325.412 2.045 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC3(C2)C[C@@H](OC)CCO3)cc1 ZINC000247927612 464715260 /nfs/dbraw/zinc/71/52/60/464715260.db2.gz FBIBTDGFPHNHLI-KRWDZBQOSA-N 0 0 333.428 2.424 40 0 EEABRN CN(C)C(=O)[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2ncn(C)c21 ZINC000247968522 464719131 /nfs/dbraw/zinc/71/91/31/464719131.db2.gz GYOXRAGGOOHMFB-HNNXBMFYSA-N 0 0 337.427 2.089 40 0 EEABRN CN(C)C(=O)[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2ncn(C)c21 ZINC000247968527 464719723 /nfs/dbraw/zinc/71/97/23/464719723.db2.gz GYOXRAGGOOHMFB-OAHLLOKOSA-N 0 0 337.427 2.089 40 0 EEABRN Cn1cncc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248036686 464726073 /nfs/dbraw/zinc/72/60/73/464726073.db2.gz MXKPMVVSWDMMLY-FRFSOERESA-N 0 0 348.472 2.073 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cn1 ZINC000248096760 464729951 /nfs/dbraw/zinc/72/99/51/464729951.db2.gz MSEIORUSGLLXMI-FGTMMUONSA-N 0 0 335.407 2.277 40 0 EEABRN CS[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000176798193 464854255 /nfs/dbraw/zinc/85/42/55/464854255.db2.gz IUOLZUIYCYZLQO-ZDUSSCGKSA-N 0 0 338.448 2.181 40 0 EEABRN CCOc1cc([C@@H]2[C@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)ccc1O ZINC000250397774 464928846 /nfs/dbraw/zinc/92/88/46/464928846.db2.gz PQMGQTRRHVSPIP-YRXWBPOGSA-N 0 0 348.395 2.009 40 0 EEABRN CCCNc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000192518683 464940331 /nfs/dbraw/zinc/94/03/31/464940331.db2.gz KCQXAHQZDKQBPQ-OAHLLOKOSA-N 0 0 330.432 2.071 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCOC1 ZINC000252477314 464958704 /nfs/dbraw/zinc/95/87/04/464958704.db2.gz LUXDIXOOMWLCFI-QWHCGFSZSA-N 0 0 340.370 2.410 40 0 EEABRN Cc1cscc1CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000252490074 464966695 /nfs/dbraw/zinc/96/66/95/464966695.db2.gz KIKMCCCGLWWONL-UKRRQHHQSA-N 0 0 338.473 2.423 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)N2CCOC[C@@H]2c2ncnn2C)cc1F ZINC000252508280 464974890 /nfs/dbraw/zinc/97/48/90/464974890.db2.gz XJBUOIWHGXGXMQ-SWLSCSKDSA-N 0 0 347.394 2.107 40 0 EEABRN O=S(=O)(N[C@H]1CC[C@H](Oc2cnccn2)CC1)C1CCCCC1 ZINC000252551894 464982347 /nfs/dbraw/zinc/98/23/47/464982347.db2.gz UKADZKAFKSVRDJ-HDJSIYSDSA-N 0 0 339.461 2.419 40 0 EEABRN CN(C)c1cccc(CCC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000253392573 464997861 /nfs/dbraw/zinc/99/78/61/464997861.db2.gz AMEFAJSJKCGELJ-APWZRJJASA-N 0 0 332.444 2.140 40 0 EEABRN O=C(NCc1ccc2ncccc2c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000253421378 465008447 /nfs/dbraw/zinc/00/84/47/465008447.db2.gz VGXJQFVDZWUPES-VQIMIIECSA-N 0 0 341.411 2.372 40 0 EEABRN CC(=O)N1CCCN(c2ccc(F)cc2NCc2csnn2)CC1 ZINC000253427634 465011402 /nfs/dbraw/zinc/01/14/02/465011402.db2.gz NMKDLANGMZLWOR-UHFFFAOYSA-N 0 0 349.435 2.348 40 0 EEABRN Cc1ccncc1S(=O)(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000331884942 466290140 /nfs/dbraw/zinc/29/01/40/466290140.db2.gz IDTPHGIEYWUHDW-UHFFFAOYSA-N 0 0 348.472 2.468 40 0 EEABRN O=C1NC[C@@H](c2ccccc2)[C@]12C[N@H+](CCc1ccccc1)CCO2 ZINC000306124588 466486267 /nfs/dbraw/zinc/48/62/67/466486267.db2.gz BTYRMUMXDRSQDW-PZJWPPBQSA-N 0 0 336.435 2.214 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCOc1cccnc1)N1CCCC1 ZINC000306130828 466489912 /nfs/dbraw/zinc/48/99/12/466489912.db2.gz JQNVCQJQGUZRHY-OAHLLOKOSA-N 0 0 331.416 2.157 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2CCOCC1CC1 ZINC000306137604 466490879 /nfs/dbraw/zinc/49/08/79/466490879.db2.gz RBASRDUHTKRYNE-MRXNPFEDSA-N 0 0 331.412 2.440 40 0 EEABRN O=C(CSc1nc(O)cc(=O)[nH]1)NC12CC3CC(CC(C3)C1)C2 ZINC000408561148 466681399 /nfs/dbraw/zinc/68/13/99/466681399.db2.gz XXFCFBFMAXGELD-UHFFFAOYSA-N 0 0 335.429 2.065 40 0 EEABRN CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1Cl ZINC000408596793 466681820 /nfs/dbraw/zinc/68/18/20/466681820.db2.gz SGBQRFFWYJPGAO-UHFFFAOYSA-N 0 0 343.836 2.304 40 0 EEABRN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000408728888 466683085 /nfs/dbraw/zinc/68/30/85/466683085.db2.gz WAHHDCJUHSCDOG-YXMPFFBPSA-N 0 0 334.169 2.282 40 0 EEABRN CSCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000575403040 468141017 /nfs/dbraw/zinc/14/10/17/468141017.db2.gz FUILFACJOQYVCQ-INIZCTEOSA-N 0 0 331.441 2.174 40 0 EEABRN COC[C@@H]1CCN(C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000575406142 468142748 /nfs/dbraw/zinc/14/27/48/468142748.db2.gz WRDQQMKDBCIRJE-CYBMUJFWSA-N 0 0 334.485 2.420 40 0 EEABRN O=C(c1cccs1)N1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000585103429 468970748 /nfs/dbraw/zinc/97/07/48/468970748.db2.gz WGCNCPPYNUDZCB-KBXCAEBGSA-N 0 0 348.468 2.239 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000585112007 468974447 /nfs/dbraw/zinc/97/44/47/468974447.db2.gz GYCMQLKYKZGXCT-HNNXBMFYSA-N 0 0 343.431 2.229 40 0 EEABRN Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)C1CC(F)C1)C2 ZINC000585110975 468974757 /nfs/dbraw/zinc/97/47/57/468974757.db2.gz MAGYMMCCOZKKQB-HNFVBEJKSA-N 0 0 344.390 2.068 40 0 EEABRN O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000585110963 468975454 /nfs/dbraw/zinc/97/54/54/468975454.db2.gz IACKZJSWIYHCJO-UHFFFAOYSA-N 0 0 337.423 2.326 40 0 EEABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000585277105 469002174 /nfs/dbraw/zinc/00/21/74/469002174.db2.gz LHIQDSILFBGWTP-LJQANCHMSA-N 0 0 342.395 2.487 40 0 EEABRN CO[C@@H]1CN(C(=O)Cc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279893 469006203 /nfs/dbraw/zinc/00/62/03/469006203.db2.gz SZLMZFPKIUJJIK-NVXWUHKLSA-N 0 0 329.400 2.027 40 0 EEABRN Cc1ccn(CCC(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)n1 ZINC000585279775 469006276 /nfs/dbraw/zinc/00/62/76/469006276.db2.gz ORFIFNDBEGEIEB-QZTJIDSGSA-N 0 0 327.428 2.034 40 0 EEABRN O=C(Cc1ccccn1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585284584 469008526 /nfs/dbraw/zinc/00/85/26/469008526.db2.gz KACYDMVYTBKXIK-OMWUSAIZSA-N 0 0 344.386 2.098 40 0 EEABRN Cc1nc(/C=C/C(=O)N2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)cs1 ZINC000585290704 469011577 /nfs/dbraw/zinc/01/15/77/469011577.db2.gz UHZBMQHVPYDECZ-ZNTRNPIHSA-N 0 0 333.457 2.324 40 0 EEABRN COC(=O)c1coc(C(=O)N2CCC(c3nncn3C3CC3)CC2)c1 ZINC000183562020 534313012 /nfs/dbraw/zinc/31/30/12/534313012.db2.gz QGLHYSMKWUQWCG-UHFFFAOYSA-N 0 0 344.371 2.012 40 0 EEABRN Cc1ccn2ncc(C(=O)N3CCCCC[C@@H]3c3ncon3)c2n1 ZINC000189620644 534367422 /nfs/dbraw/zinc/36/74/22/534367422.db2.gz JXADMGXLHGGAPF-CYBMUJFWSA-N 0 0 326.360 2.178 40 0 EEABRN Cc1cccc(CNC(=O)CN2CCCCC2=O)c1Br ZINC000191736538 534713023 /nfs/dbraw/zinc/71/30/23/534713023.db2.gz JMNOQLQSIHGULF-UHFFFAOYSA-N 0 0 339.233 2.386 40 0 EEABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000052410845 528064839 /nfs/dbraw/zinc/06/48/39/528064839.db2.gz WZJRYWRKUXGVJX-AWEZNQCLSA-N 0 0 345.443 2.268 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000131380477 528732852 /nfs/dbraw/zinc/73/28/52/528732852.db2.gz PNLDPPACDPQOIY-LBPRGKRZSA-N 0 0 342.399 2.189 40 0 EEABRN COc1ccc(CN(C)C(=O)c2cnc([C@H](C)O)s2)c(OC)c1 ZINC000252482111 536856072 /nfs/dbraw/zinc/85/60/72/536856072.db2.gz CYPDJNKZCJBZIH-JTQLQIEISA-N 0 0 336.413 2.486 40 0 EEABRN COc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257257557 537150623 /nfs/dbraw/zinc/15/06/23/537150623.db2.gz KQCQRBAJFDFDHH-CQSZACIVSA-N 0 0 326.400 2.226 40 0 EEABRN CC(C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000242800334 564120369 /nfs/dbraw/zinc/12/03/69/564120369.db2.gz FDOWYCQRMZXLTA-UHFFFAOYSA-N 0 0 339.244 2.284 40 0 EEABRN CCC(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 ZINC001772594481 1178800264 /nfs/dbraw/zinc/80/02/64/1178800264.db2.gz DVGXOMNHPVLATN-HNNXBMFYSA-N 0 0 345.443 2.064 40 0 EEABRN FC(F)(F)c1nnc2ccc(NCc3cnn4c3CCCC4)nn21 ZINC001337984228 1336768514 /nfs/dbraw/zinc/76/85/14/1336768514.db2.gz VBHCWUSCVIYZNA-UHFFFAOYSA-N 0 0 337.309 2.288 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3COCCC3=O)c3cccc1c32 ZINC001740816829 1406109547 /nfs/dbraw/zinc/10/95/47/1406109547.db2.gz XFLCHAVZLHWJKQ-IFXJQAMLSA-N 0 0 327.380 2.022 40 0 EEABRN O=C(c1cccc(F)c1)N1CC2(C1)CC(=O)N(Cc1ccccc1)O2 ZINC001549168150 1121136462 /nfs/dbraw/zinc/13/64/62/1121136462.db2.gz UEMHQJIIHXQNHM-UHFFFAOYSA-N 0 0 340.354 2.384 40 0 EEABRN CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454009 1124295789 /nfs/dbraw/zinc/29/57/89/1124295789.db2.gz SQMBDUJMAHIRJP-ZDUSSCGKSA-N 0 0 349.460 2.351 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000056122337 214359842 /nfs/dbraw/zinc/35/98/42/214359842.db2.gz QNYXZIOQFYOYOQ-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000058151887 214482869 /nfs/dbraw/zinc/48/28/69/214482869.db2.gz ARLKYGMPRIWMAD-NEPJUHHUSA-N 0 0 339.486 2.130 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)o1 ZINC000097953800 219064879 /nfs/dbraw/zinc/06/48/79/219064879.db2.gz UHVUWWNDEKUKLA-UNEWFSDZSA-N 0 0 328.368 2.434 40 0 EEABRN CCc1ccc(CNC(=O)C(=O)NCc2ccccc2OC)cc1 ZINC000408707039 529646995 /nfs/dbraw/zinc/64/69/95/529646995.db2.gz IOBTWAWPMOGEAN-UHFFFAOYSA-N 0 0 326.396 2.190 40 0 EEABRN Cc1ncsc1CN1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC000108532389 282233591 /nfs/dbraw/zinc/23/35/91/282233591.db2.gz MTZKDRNEBWXVIK-KBPBESRZSA-N 0 0 347.440 2.160 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1Cl ZINC000004503976 210206155 /nfs/dbraw/zinc/20/61/55/210206155.db2.gz KIWRRIWHSZAOKL-RRFJBIMHSA-N 0 0 335.835 2.376 40 0 EEABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC)CC2=O)c(Cl)c1 ZINC000045953345 213768583 /nfs/dbraw/zinc/76/85/83/213768583.db2.gz DSYQTBDZMNXQRJ-NSHDSACASA-N 0 0 339.775 2.433 40 0 EEABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCN1CCOCC1 ZINC000222961967 539657878 /nfs/dbraw/zinc/65/78/78/539657878.db2.gz JOMTUUIEAWHQOG-QGZVFWFLSA-N 0 0 334.460 2.299 40 0 EEABRN O=C(Cc1ccc(-c2nn3cnnc3s2)cc1)N1CCCCC1 ZINC000041126894 213420758 /nfs/dbraw/zinc/42/07/58/213420758.db2.gz LPBKOQILZLJRML-UHFFFAOYSA-N 0 0 327.413 2.408 40 0 EEABRN Cc1nn(C)c2cn([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)nc12 ZINC000041123823 213419627 /nfs/dbraw/zinc/41/96/27/213419627.db2.gz QWCPFHJCIVQSOK-SNVBAGLBSA-N 0 0 327.344 2.007 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000181135754 234094369 /nfs/dbraw/zinc/09/43/69/234094369.db2.gz CSOWDUAOZRERBN-SFHVURJKSA-N 0 0 325.412 2.190 40 0 EEABRN CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237887 216076698 /nfs/dbraw/zinc/07/66/98/216076698.db2.gz XLIXCEKFXAHPQD-IAGOWNOFSA-N 0 0 344.436 2.305 40 0 EEABRN CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1OC ZINC000000410640 209573601 /nfs/dbraw/zinc/57/36/01/209573601.db2.gz XZWWDYDUKQCWOJ-UHFFFAOYSA-N 0 0 344.396 2.374 40 0 EEABRN Cn1cc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)C2CCCC2)cn1 ZINC000072354827 216164015 /nfs/dbraw/zinc/16/40/15/216164015.db2.gz MJWXJAWOIHBBCD-OAHLLOKOSA-N 0 0 340.431 2.313 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1ncncc1C ZINC000072367558 216174584 /nfs/dbraw/zinc/17/45/84/216174584.db2.gz RGATYWYVCFQXLO-CYBMUJFWSA-N 0 0 336.417 2.306 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072379605 216180508 /nfs/dbraw/zinc/18/05/08/216180508.db2.gz XKTVMYNDHZMKAQ-HNNXBMFYSA-N 0 0 347.382 2.255 40 0 EEABRN COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncccn2)n1 ZINC000072383913 216185472 /nfs/dbraw/zinc/18/54/72/216185472.db2.gz DHGVNMQLEKSAEF-CYBMUJFWSA-N 0 0 342.403 2.019 40 0 EEABRN CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000072394336 216192752 /nfs/dbraw/zinc/19/27/52/216192752.db2.gz SYFLSXSQSDGKSO-UHFFFAOYSA-N 0 0 328.412 2.199 40 0 EEABRN CC(C)CCNC(=O)C1CCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000072984718 216335789 /nfs/dbraw/zinc/33/57/89/216335789.db2.gz QVQWAXDVHGNLCD-UHFFFAOYSA-N 0 0 338.492 2.473 40 0 EEABRN COc1c(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c(C)nn1C ZINC000073205977 216363362 /nfs/dbraw/zinc/36/33/62/216363362.db2.gz KHTSEYBZXDGKPH-GFCCVEGCSA-N 0 0 339.399 2.414 40 0 EEABRN C[C@H](CC(=O)N1CCCC[C@H]1CNC(N)=O)Cc1cccc(F)c1 ZINC000073260848 216371072 /nfs/dbraw/zinc/37/10/72/216371072.db2.gz DNKBZCXPDMQKQY-BBRMVZONSA-N 0 0 335.423 2.444 40 0 EEABRN O=C(Nc1cccnc1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191474173 239132614 /nfs/dbraw/zinc/13/26/14/239132614.db2.gz BYKFOATXGBRLEP-OAHLLOKOSA-N 0 0 328.347 2.143 40 0 EEABRN CCOC(=O)N[C@H]1CCCN(C(=O)c2ccoc2Br)C1 ZINC000193316459 240104381 /nfs/dbraw/zinc/10/43/81/240104381.db2.gz WQYAIIMCPPDSMG-VIFPVBQESA-N 0 0 345.193 2.393 40 0 EEABRN Cc1ccn(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)c(=O)c1 ZINC000194979706 240789071 /nfs/dbraw/zinc/78/90/71/240789071.db2.gz GWRQJGSBQFXPQD-HNNXBMFYSA-N 0 0 343.402 2.081 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218517043 241328499 /nfs/dbraw/zinc/32/84/99/241328499.db2.gz LCZAPBOJZZRJPU-IJEWVQPXSA-N 0 0 341.498 2.068 40 0 EEABRN Cc1nc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cn1C ZINC000219458486 241389333 /nfs/dbraw/zinc/38/93/33/241389333.db2.gz DLSODYDTUZFCTE-CYBMUJFWSA-N 0 0 341.458 2.190 40 0 EEABRN COc1ccc(NC(=S)NCCN2CCCC2=O)c2cccnc12 ZINC000225812974 242049097 /nfs/dbraw/zinc/04/90/97/242049097.db2.gz XTXKJVWKJPGLLQ-UHFFFAOYSA-N 0 0 344.440 2.152 40 0 EEABRN Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 ZINC000225909533 242075920 /nfs/dbraw/zinc/07/59/20/242075920.db2.gz XTRFYDKKJQXXEO-OCCSQVGLSA-N 0 0 349.504 2.487 40 0 EEABRN CN(C)c1noc(CNC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)n1 ZINC000225787000 242034452 /nfs/dbraw/zinc/03/44/52/242034452.db2.gz ILWDYCGJVPZDTC-LLVKDONJSA-N 0 0 346.284 2.481 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749137 242110996 /nfs/dbraw/zinc/11/09/96/242110996.db2.gz AKSNVDCRMFZKPB-GOSISDBHSA-N 0 0 344.390 2.420 40 0 EEABRN O=C(Cn1cc(COc2ccccc2F)nn1)Nc1nccs1 ZINC000227162823 242124709 /nfs/dbraw/zinc/12/47/09/242124709.db2.gz YYZAUVDYQHOCIG-UHFFFAOYSA-N 0 0 333.348 2.091 40 0 EEABRN CN(C)C(=O)CNC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 ZINC000227164051 242124914 /nfs/dbraw/zinc/12/49/14/242124914.db2.gz CZUMIWLWFRRBMY-UHFFFAOYSA-N 0 0 348.834 2.188 40 0 EEABRN Cc1ccnc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)c1 ZINC000227161067 242125982 /nfs/dbraw/zinc/12/59/82/242125982.db2.gz JJDUOVDVIWWZCH-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN CC[C@H](O)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338741 243102428 /nfs/dbraw/zinc/10/24/28/243102428.db2.gz OGOTZCSWJSVETQ-MAZHCROVSA-N 0 0 341.402 2.170 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@H]3COCc2ccncc2)s1 ZINC000248024430 243503419 /nfs/dbraw/zinc/50/34/19/243503419.db2.gz NHFDDUGQORYPPU-AWEZNQCLSA-N 0 0 332.429 2.054 40 0 EEABRN O=C(c1ccncc1F)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 ZINC000247865845 243468651 /nfs/dbraw/zinc/46/86/51/243468651.db2.gz ONBKPVKJCONVNL-AWEZNQCLSA-N 0 0 344.390 2.116 40 0 EEABRN O=C(CCn1cncn1)Nc1ccc(OCCc2ccccc2)nc1 ZINC000076624238 216798361 /nfs/dbraw/zinc/79/83/61/216798361.db2.gz HUPVIAZBEFPXQR-UHFFFAOYSA-N 0 0 337.383 2.323 40 0 EEABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1 ZINC000020452853 212130650 /nfs/dbraw/zinc/13/06/50/212130650.db2.gz APJIYSDLCWOWMF-UHFFFAOYSA-N 0 0 325.777 2.359 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)C2CCC2)C3)nc1 ZINC000253600061 244032304 /nfs/dbraw/zinc/03/23/04/244032304.db2.gz CCXDHDAFPSHJPY-OAHLLOKOSA-N 0 0 330.432 2.005 40 0 EEABRN COCC(=O)N1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257204077 244126464 /nfs/dbraw/zinc/12/64/64/244126464.db2.gz ASYOVMABLBWSIG-LBPRGKRZSA-N 0 0 347.444 2.256 40 0 EEABRN Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2c2ccnc(C)n2)n1 ZINC000257207614 244138835 /nfs/dbraw/zinc/13/88/35/244138835.db2.gz BIMOAOVCBDWVQQ-SFHVURJKSA-N 0 0 340.431 2.101 40 0 EEABRN CCn1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c(C)n1 ZINC000257208022 244140736 /nfs/dbraw/zinc/14/07/36/244140736.db2.gz BKHVUDPGSDXAEK-OAHLLOKOSA-N 0 0 329.404 2.173 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccsc2)C1 ZINC000257223214 244191333 /nfs/dbraw/zinc/19/13/33/244191333.db2.gz DWKDYUSXLJNFMV-LBPRGKRZSA-N 0 0 325.459 2.254 40 0 EEABRN COc1ccc(Br)c(C(=O)NCC[C@@H](O)C2CC2)c1 ZINC000077107815 216840365 /nfs/dbraw/zinc/84/03/65/216840365.db2.gz OWAUNWNBWRBKGQ-CYBMUJFWSA-N 0 0 328.206 2.349 40 0 EEABRN CC(=O)N[C@]1(C)C[C@@H](c2cccc(O)c2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257225470 244199363 /nfs/dbraw/zinc/19/93/63/244199363.db2.gz FGIPNRUBYVEVSW-RHQZKXFESA-N 0 0 331.412 2.444 40 0 EEABRN COc1ccccc1[C@H]1CN(c2cc(C)ncn2)CCN1C(C)=O ZINC000257243220 244249811 /nfs/dbraw/zinc/24/98/11/244249811.db2.gz IFXYZDHFWJZJET-MRXNPFEDSA-N 0 0 326.400 2.203 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)nc(C)n1 ZINC000257245095 244256737 /nfs/dbraw/zinc/25/67/37/244256737.db2.gz IOBLWNHLIHETGF-KRWDZBQOSA-N 0 0 326.400 2.021 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000257238191 244234551 /nfs/dbraw/zinc/23/45/51/244234551.db2.gz HJYHNBPIQNORGZ-LBPRGKRZSA-N 0 0 338.458 2.130 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)n1 ZINC000257240771 244243099 /nfs/dbraw/zinc/24/30/99/244243099.db2.gz HVDIGHWGOQIYJL-CQSZACIVSA-N 0 0 336.399 2.143 40 0 EEABRN Cc1cc(C[C@@H]2COCCN(C(=O)Cc3ccccc3F)C2)ncn1 ZINC000257247524 244260500 /nfs/dbraw/zinc/26/05/00/244260500.db2.gz IZIWXSLLXDSIQQ-HNNXBMFYSA-N 0 0 343.402 2.184 40 0 EEABRN COc1ccc(CN2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c(F)c1 ZINC000257248069 244262585 /nfs/dbraw/zinc/26/25/85/244262585.db2.gz JBXXQPMHSSWYMK-INIZCTEOSA-N 0 0 333.363 2.212 40 0 EEABRN O=C(CCCn1cncn1)N1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257253115 244273669 /nfs/dbraw/zinc/27/36/69/244273669.db2.gz JXPNHSMPPKPPJB-VQFNDLOPSA-N 0 0 340.427 2.374 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257254410 244279720 /nfs/dbraw/zinc/27/97/20/244279720.db2.gz KCYDUGKOSCYGMQ-MRXNPFEDSA-N 0 0 345.374 2.204 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)CC2(O)CCCCC2)C1 ZINC000257259558 244293665 /nfs/dbraw/zinc/29/36/65/244293665.db2.gz KYXLSNWCIYYKLU-HNNXBMFYSA-N 0 0 346.475 2.385 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccc(F)cc2)CC1 ZINC000020035903 212096538 /nfs/dbraw/zinc/09/65/38/212096538.db2.gz JLTQDBHLKZLNOH-HNNXBMFYSA-N 0 0 338.379 2.284 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)CO[C@H](Cc2cccc(F)c2)C3)cn1 ZINC000257273089 244381971 /nfs/dbraw/zinc/38/19/71/244381971.db2.gz NFFHEKGRVIFMQY-MRXNPFEDSA-N 0 0 329.375 2.033 40 0 EEABRN Cc1cc(CC[C@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)ncn1 ZINC000257274563 244389097 /nfs/dbraw/zinc/38/90/97/244389097.db2.gz NLOVVNANRWRDNV-HNNXBMFYSA-N 0 0 344.415 2.370 40 0 EEABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc(C)nc1C ZINC000019937125 212087692 /nfs/dbraw/zinc/08/76/92/212087692.db2.gz JUUCRXCLDXZJGN-UHFFFAOYSA-N 0 0 345.355 2.150 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257304162 244474118 /nfs/dbraw/zinc/47/41/18/244474118.db2.gz SKHLCCVDNBKPQZ-HKUYNNGSSA-N 0 0 326.396 2.435 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cn1 ZINC000257345044 244581760 /nfs/dbraw/zinc/58/17/60/244581760.db2.gz ZZSLMJZLAWFHDD-HKUYNNGSSA-N 0 0 326.396 2.435 40 0 EEABRN CCn1ccc(C(=O)N2CCC[C@@](C)(C(=O)NC3CCCC3)C2)n1 ZINC000019746654 212061317 /nfs/dbraw/zinc/06/13/17/212061317.db2.gz AULJPFZYCAGWPO-GOSISDBHSA-N 0 0 332.448 2.204 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[nH]2)c1 ZINC000019555492 212041752 /nfs/dbraw/zinc/04/17/52/212041752.db2.gz DSWFCNHVKKZSHW-MRXNPFEDSA-N 0 0 341.411 2.302 40 0 EEABRN CCc1nc(CNC(=O)c2cc3c(cc(OC)cc3OC)[nH]2)no1 ZINC000019523180 212036526 /nfs/dbraw/zinc/03/65/26/212036526.db2.gz XSQWZYFWWIMHOM-UHFFFAOYSA-N 0 0 330.344 2.061 40 0 EEABRN CC(C)n1cc(C(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cn1 ZINC000019454871 212030161 /nfs/dbraw/zinc/03/01/61/212030161.db2.gz AEGSNPACTBKRHQ-CQSZACIVSA-N 0 0 338.371 2.496 40 0 EEABRN CC(C)[S@](=O)c1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000078029497 217012376 /nfs/dbraw/zinc/01/23/76/217012376.db2.gz RKLMHBNPDBFCFX-VOIUYBSRSA-N 0 0 344.436 2.159 40 0 EEABRN CCOC(=O)N1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000045669904 213748546 /nfs/dbraw/zinc/74/85/46/213748546.db2.gz WITAEPHABITWQG-UHFFFAOYSA-N 0 0 326.780 2.020 40 0 EEABRN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](C(C)C)CC2)CC1 ZINC000078726469 217108728 /nfs/dbraw/zinc/10/87/28/217108728.db2.gz AFOVKZZDYXWFNW-HNNXBMFYSA-N 0 0 344.521 2.333 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000078988731 217166074 /nfs/dbraw/zinc/16/60/74/217166074.db2.gz ZQDSNOPUYZASBD-AAEUAGOBSA-N 0 0 329.404 2.116 40 0 EEABRN O=C1[C@@H](Sc2nc3ncccn3n2)CCN1c1ccccc1F ZINC000078995250 217168506 /nfs/dbraw/zinc/16/85/06/217168506.db2.gz URJZVLGSWYLWNZ-LBPRGKRZSA-N 0 0 329.360 2.161 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000079098281 217193597 /nfs/dbraw/zinc/19/35/97/217193597.db2.gz MRNJZGUTPOWWSF-NEPJUHHUSA-N 0 0 330.425 2.351 40 0 EEABRN C[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000079310070 217206787 /nfs/dbraw/zinc/20/67/87/217206787.db2.gz MILFOQBTRKBLAO-UWVGGRQHSA-N 0 0 326.190 2.268 40 0 EEABRN C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000079310066 217207383 /nfs/dbraw/zinc/20/73/83/217207383.db2.gz MILFOQBTRKBLAO-AOOOYVTPSA-N 0 0 326.190 2.268 40 0 EEABRN Cc1oncc1C(=O)NC1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000080398282 217302564 /nfs/dbraw/zinc/30/25/64/217302564.db2.gz NAANEMPCYQOTFN-UHFFFAOYSA-N 0 0 341.411 2.255 40 0 EEABRN CC[C@@H](C(=O)NCC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712949 211617418 /nfs/dbraw/zinc/61/74/18/211617418.db2.gz YWEFYXWEOHDYGG-HNNXBMFYSA-N 0 0 326.462 2.312 40 0 EEABRN COC(=O)c1ccc(CN2CCN(CC(F)(F)F)CC2)cc1F ZINC000089102216 217771905 /nfs/dbraw/zinc/77/19/05/217771905.db2.gz GGCXMBAWKOYFAJ-UHFFFAOYSA-N 0 0 334.313 2.292 40 0 EEABRN O=C(Cc1ccccc1F)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000012365059 211357242 /nfs/dbraw/zinc/35/72/42/211357242.db2.gz ODXOJBAYTKXLAT-CYBMUJFWSA-N 0 0 339.374 2.441 40 0 EEABRN CC(C)[C@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)c1cccs1 ZINC000012200343 211319026 /nfs/dbraw/zinc/31/90/26/211319026.db2.gz ORYFYKPLOHLVBX-HIFRSBDPSA-N 0 0 332.429 2.488 40 0 EEABRN Cc1nc(C)n([C@H](C)CNC(=O)c2cccc(N3CCCC3=O)c2)n1 ZINC000012195355 211317490 /nfs/dbraw/zinc/31/74/90/211317490.db2.gz BWJDNZQSIHNKSS-GFCCVEGCSA-N 0 0 341.415 2.013 40 0 EEABRN Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1ccc2c(c1)OCO2 ZINC000012188633 211313306 /nfs/dbraw/zinc/31/33/06/211313306.db2.gz TTWRPFIBIHWTFL-UHFFFAOYSA-N 0 0 340.335 2.062 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCC[C@H]3C)n2)o1 ZINC000012182770 211312250 /nfs/dbraw/zinc/31/22/50/211312250.db2.gz ZGRQVMSMEBUVFJ-BXUZGUMPSA-N 0 0 344.415 2.089 40 0 EEABRN O=C(COc1ncnc2ccccc21)NCCN1CCc2ccccc21 ZINC000012148420 211307461 /nfs/dbraw/zinc/30/74/61/211307461.db2.gz OSCFAZZOXWEWIA-UHFFFAOYSA-N 0 0 348.406 2.188 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@@]2(C1)Nc1ccccc1C(=O)N2 ZINC000012089278 211289442 /nfs/dbraw/zinc/28/94/42/211289442.db2.gz VSDOHRBRSVCREP-QGZVFWFLSA-N 0 0 342.424 2.239 40 0 EEABRN O=C(c1ccncc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112395 284727919 /nfs/dbraw/zinc/72/79/19/284727919.db2.gz QWFYMCAVQSNJKW-BBRMVZONSA-N 0 0 340.358 2.337 40 0 biogenic,in-vitro EEABRN COc1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)c(OC)c1 ZINC000010325580 211164389 /nfs/dbraw/zinc/16/43/89/211164389.db2.gz QZGMPVSMQDKGOM-CQSZACIVSA-N 0 0 342.351 2.432 40 0 EEABRN CN(Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093938644 218258160 /nfs/dbraw/zinc/25/81/60/218258160.db2.gz OWFMYPKVHDJTAE-LBPRGKRZSA-N 0 0 336.226 2.207 40 0 EEABRN COc1cccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc21 ZINC000008960599 211024257 /nfs/dbraw/zinc/02/42/57/211024257.db2.gz BVBDCPLMRWNBPI-UHFFFAOYSA-N 0 0 346.364 2.341 40 0 EEABRN CC(C)(C)c1nc(CNC(=O)N2CCc3ccccc3[C@H]2CO)no1 ZINC000095417257 218356960 /nfs/dbraw/zinc/35/69/60/218356960.db2.gz VUFTTYQCNXREEN-CQSZACIVSA-N 0 0 344.415 2.168 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)C(F)(F)C1(O)CCC1 ZINC000095448806 218393262 /nfs/dbraw/zinc/39/32/62/218393262.db2.gz MPNVDLMSVXIMME-UHFFFAOYSA-N 0 0 335.354 2.081 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccncc1)CN(Cc1ccco1)C2 ZINC000096060738 218553528 /nfs/dbraw/zinc/55/35/28/218553528.db2.gz GKZKBWBSYPUSMM-OAHLLOKOSA-N 0 0 339.399 2.119 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC000096063415 218557699 /nfs/dbraw/zinc/55/76/99/218557699.db2.gz LZSJEXDUEGHLCG-WMLDXEAASA-N 0 0 347.440 2.035 40 0 EEABRN COc1cccc(NC(=O)NC[C@]2(OC)CCSC2)c1OC ZINC000096097779 218590590 /nfs/dbraw/zinc/59/05/90/218590590.db2.gz YKQZBVVLYMHGIB-OAHLLOKOSA-N 0 0 326.418 2.347 40 0 EEABRN COCCCNC(=O)[C@H](C)Sc1ncccc1Br ZINC000096411962 218768128 /nfs/dbraw/zinc/76/81/28/218768128.db2.gz KZERIPGMMCZCAX-VIFPVBQESA-N 0 0 333.251 2.477 40 0 EEABRN CCn1nc(C)cc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000096423187 218789891 /nfs/dbraw/zinc/78/98/91/218789891.db2.gz URXMMEVSPDKQJV-UHFFFAOYSA-N 0 0 329.404 2.235 40 0 EEABRN CC[C@H](C)c1cc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)on1 ZINC000096422372 218789917 /nfs/dbraw/zinc/78/99/17/218789917.db2.gz ZVTSBACENRHRRD-ONGXEEELSA-N 0 0 347.337 2.423 40 0 EEABRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cnn(C)c1 ZINC000096439999 218819722 /nfs/dbraw/zinc/81/97/22/218819722.db2.gz RBYDLRMJLPLXOO-RISCZKNCSA-N 0 0 349.385 2.337 40 0 EEABRN CNC(=O)c1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 ZINC000096437367 218817007 /nfs/dbraw/zinc/81/70/07/218817007.db2.gz ZWRRUPOAJUAUJC-OAHLLOKOSA-N 0 0 332.787 2.163 40 0 EEABRN Cc1nnc(S[C@H](C)Cc2ccc3ccccc3n2)n1CC(N)=O ZINC000096451099 218834306 /nfs/dbraw/zinc/83/43/06/218834306.db2.gz JDTSJOQGKQDTBA-LLVKDONJSA-N 0 0 341.440 2.343 40 0 EEABRN Cc1ccc(CC(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cn1 ZINC000096454826 218838514 /nfs/dbraw/zinc/83/85/14/218838514.db2.gz UEGCBPJCNMAKEE-QGZVFWFLSA-N 0 0 331.803 2.103 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1sccc1C ZINC000096473417 218851541 /nfs/dbraw/zinc/85/15/41/218851541.db2.gz HDBXEVZRMUSUFJ-NSHDSACASA-N 0 0 335.433 2.129 40 0 EEABRN COCCCNC(=O)c1c(C)cccc1I ZINC000096475984 218853586 /nfs/dbraw/zinc/85/35/86/218853586.db2.gz ZZRYGLOYNYSJLY-UHFFFAOYSA-N 0 0 333.169 2.366 40 0 EEABRN C[C@@H](CN(C)C(=O)NCc1cccc(C(N)=O)c1)c1nccs1 ZINC000096502062 218878606 /nfs/dbraw/zinc/87/86/06/218878606.db2.gz IBMXAUPVWYCTBC-NSHDSACASA-N 0 0 332.429 2.187 40 0 EEABRN CCN(CC)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000004976998 210346313 /nfs/dbraw/zinc/34/63/13/210346313.db2.gz UHPJHMHVHKZPOM-UHFFFAOYSA-N 0 0 326.462 2.444 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1cccc(Cl)c1F ZINC000097378200 219018914 /nfs/dbraw/zinc/01/89/14/219018914.db2.gz MRTXFUUBIREDTC-UHFFFAOYSA-N 0 0 325.727 2.298 40 0 EEABRN COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCC(C)CC1 ZINC000004847682 285196327 /nfs/dbraw/zinc/19/63/27/285196327.db2.gz FZOASIDIPQPXGQ-QGZVFWFLSA-N 0 0 345.447 2.149 40 0 EEABRN O=C([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCOCC2)nc1 ZINC000257244900 304266422 /nfs/dbraw/zinc/26/64/22/304266422.db2.gz INHIXBAUIDSKAE-UHFFFAOYSA-N 0 0 342.395 2.078 40 0 EEABRN COC(=O)c1cnc2nc(COc3cccc4cccnc43)nn2c1C ZINC000014608457 257858250 /nfs/dbraw/zinc/85/82/50/257858250.db2.gz APUARGVWPMHIHU-UHFFFAOYSA-N 0 0 349.350 2.347 40 0 EEABRN CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000239539174 285631282 /nfs/dbraw/zinc/63/12/82/285631282.db2.gz AVQKYTYUBCESAF-SOUVJXGZSA-N 0 0 337.441 2.021 40 0 EEABRN Cc1nc(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)sc1C ZINC000173650617 152184501 /nfs/dbraw/zinc/18/45/01/152184501.db2.gz MAUNSHBSJLTBDL-OAHLLOKOSA-N 0 0 344.440 2.143 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccn2C)cn1 ZINC000195327909 286348217 /nfs/dbraw/zinc/34/82/17/286348217.db2.gz ZPDGPXDQPSJLKE-HNNXBMFYSA-N 0 0 335.429 2.345 40 0 EEABRN O=C(NC[C@H]1CCOC1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000078611737 262498203 /nfs/dbraw/zinc/49/82/03/262498203.db2.gz DWDGAULDZMYPEN-LLVKDONJSA-N 0 0 336.392 2.426 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCCc2c[nH]nc21)n1ccc2ccccc2c1=O ZINC000288335922 275047804 /nfs/dbraw/zinc/04/78/04/275047804.db2.gz VOYPOOZYWOZSPT-MLGOLLRUSA-N 0 0 336.395 2.479 40 0 EEABRN CC(C)N(C(=O)CN1c2ccccc2C2=NCCN2C1=O)C(C)C ZINC000012184978 279286033 /nfs/dbraw/zinc/28/60/33/279286033.db2.gz UEOUTQIKTFFPIJ-UHFFFAOYSA-N 0 0 328.416 2.334 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)o1 ZINC000108535850 280770646 /nfs/dbraw/zinc/77/06/46/280770646.db2.gz ISJQSLUWDQZCEC-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1c2cccnc2N2CCC[C@@H]2C1=O ZINC000019496222 290402542 /nfs/dbraw/zinc/40/25/42/290402542.db2.gz BXJNRXUKTXASOW-OFQRWUPVSA-N 0 0 342.443 2.092 40 0 EEABRN COc1ccccc1N1CCC(NC(=O)N2CCC[C@@H](O)[C@H]2C)CC1 ZINC000297249501 294192241 /nfs/dbraw/zinc/19/22/41/294192241.db2.gz OHKFZNATGWPJNF-RHSMWYFYSA-N 0 0 347.459 2.219 40 0 EEABRN Cc1ccccc1C[C@@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000178815904 302100232 /nfs/dbraw/zinc/10/02/32/302100232.db2.gz AQJLVTREGGPXSV-HIFRSBDPSA-N 0 0 340.489 2.006 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000193620359 303574863 /nfs/dbraw/zinc/57/48/63/303574863.db2.gz XQGKAOJZNQXHQK-JKSUJKDBSA-N 0 0 337.391 2.393 40 0 EEABRN Cc1cc(=O)n2ccn([C@H](C)C(=O)N3CCc4sccc4C3)c2n1 ZINC000333922062 312214511 /nfs/dbraw/zinc/21/45/11/312214511.db2.gz RBDHSWZSLMRIRR-GFCCVEGCSA-N 0 0 342.424 2.012 40 0 EEABRN O=C(NC[C@H]1CCCC1(F)F)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000334093773 312238646 /nfs/dbraw/zinc/23/86/46/312238646.db2.gz PUSHRCFTDCBQDN-ZIAGYGMSSA-N 0 0 337.370 2.305 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](C3)OCCN4C)s2)o1 ZINC000097237735 323321298 /nfs/dbraw/zinc/32/12/98/323321298.db2.gz PWOVLHIKHUYXFX-OCCSQVGLSA-N 0 0 332.425 2.472 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000097379364 323322968 /nfs/dbraw/zinc/32/29/68/323322968.db2.gz VPOIKORRRVHQOC-QGZVFWFLSA-N 0 0 339.395 2.124 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000097379444 323322974 /nfs/dbraw/zinc/32/29/74/323322974.db2.gz WLHNXGZGZBLBDR-MRXNPFEDSA-N 0 0 338.367 2.289 40 0 EEABRN CC[C@@H](C(=O)[O-])[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000191427694 323473473 /nfs/dbraw/zinc/47/34/73/323473473.db2.gz UFXGGXXIZGJCOD-AWEZNQCLSA-N 0 0 326.824 2.200 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 ZINC000358674903 465257456 /nfs/dbraw/zinc/25/74/56/465257456.db2.gz DWFFHSSCUAOVSQ-UHFFFAOYSA-N 0 0 328.368 2.349 40 0 EEABRN COc1ccccc1OCc1nnc(SCC(=O)N2CCCC2)o1 ZINC000000418540 462560139 /nfs/dbraw/zinc/56/01/39/462560139.db2.gz OGFGKMHECXDLSH-UHFFFAOYSA-N 0 0 349.412 2.372 40 0 EEABRN CCn1c(CNc2ccccc2Cl)nnc1SCC(N)=O ZINC000000422097 462561992 /nfs/dbraw/zinc/56/19/92/462561992.db2.gz VRSSHNFCKXUFKD-UHFFFAOYSA-N 0 0 325.825 2.141 40 0 EEABRN Cc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)OC(C)C)[C@@H]3C1=O ZINC000000488214 462567130 /nfs/dbraw/zinc/56/71/30/462567130.db2.gz KDJRCKNTFYZQGL-GGXPGOJBSA-N 0 0 327.380 2.233 40 0 EEABRN COc1ccc(CNC(=O)Nc2cccc(-n3nnnc3C)c2)cc1 ZINC000045689875 462608399 /nfs/dbraw/zinc/60/83/99/462608399.db2.gz PGTNAAMCKMWNSD-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN NC(=O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000045888100 462627762 /nfs/dbraw/zinc/62/77/62/462627762.db2.gz KYJPOCBVJDPBRZ-SNVBAGLBSA-N 0 0 341.333 2.144 40 0 EEABRN COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3C)cc1OC ZINC000046016245 462636932 /nfs/dbraw/zinc/63/69/32/462636932.db2.gz MKMMSRQASDYLHO-AWEZNQCLSA-N 0 0 329.400 2.174 40 0 EEABRN COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000005251574 462652170 /nfs/dbraw/zinc/65/21/70/462652170.db2.gz RFJNQEOIOWPVMX-UHFFFAOYSA-N 0 0 327.384 2.016 40 0 EEABRN CCN1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 ZINC000074934738 462657345 /nfs/dbraw/zinc/65/73/45/462657345.db2.gz XXMQSEYWGVKBCX-UHFFFAOYSA-N 0 0 326.462 2.145 40 0 EEABRN O=C(N(c1ccccc1)c1ccccc1)n1cnc2c1[nH]c(=O)[nH]c2=O ZINC000005900716 462672799 /nfs/dbraw/zinc/67/27/99/462672799.db2.gz BHEBAMLPWPDBSE-UHFFFAOYSA-N 0 0 347.334 2.219 40 0 EEABRN CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000006023950 462674352 /nfs/dbraw/zinc/67/43/52/462674352.db2.gz URKHURLELZGYPB-UHFFFAOYSA-N 0 0 348.424 2.311 40 0 EEABRN COc1ccc(CNC(=O)CC(=O)NCc2ccc(OC)cc2)cc1 ZINC000006230387 462679297 /nfs/dbraw/zinc/67/92/97/462679297.db2.gz CYCAIUPQVTXCCJ-UHFFFAOYSA-N 0 0 342.395 2.027 40 0 EEABRN COC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)N(C)C1=S ZINC000006346381 462683396 /nfs/dbraw/zinc/68/33/96/462683396.db2.gz CFJIMFNJCCYQHY-ZROIWOOFSA-N 0 0 332.425 2.383 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000006364705 462683817 /nfs/dbraw/zinc/68/38/17/462683817.db2.gz HUMWQBIBWIJAIJ-UHFFFAOYSA-N 0 0 348.424 2.391 40 0 EEABRN CCCn1c(=O)c(C(=O)Nc2nncs2)c(O)c2c1CC[C@H](C)C2 ZINC000006511020 462687782 /nfs/dbraw/zinc/68/77/82/462687782.db2.gz YGNWMQOTNMANCV-VIFPVBQESA-N 0 0 348.428 2.193 40 0 EEABRN O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075156910 462688293 /nfs/dbraw/zinc/68/82/93/462688293.db2.gz XAMVOCCBTLSBGK-UWVGGRQHSA-N 0 0 339.335 2.167 40 0 EEABRN O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cc(N2CCOCC2)ccn1 ZINC000130732302 462774496 /nfs/dbraw/zinc/77/44/96/462774496.db2.gz KQBPWYILWKDDGP-WBVHZDCISA-N 0 0 341.386 2.343 40 0 EEABRN CC(=O)Nc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000010314383 462817230 /nfs/dbraw/zinc/81/72/30/462817230.db2.gz ZSAZEHSFCKPRTC-UHFFFAOYSA-N 0 0 347.396 2.269 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200439 462847338 /nfs/dbraw/zinc/84/73/38/462847338.db2.gz QWHDZZMZKAILCW-CMPLNLGQSA-N 0 0 337.445 2.280 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000076377390 462850922 /nfs/dbraw/zinc/85/09/22/462850922.db2.gz NWBQEIWKLPHXSN-JJGIJDNGSA-N 0 0 325.405 2.311 40 0 EEABRN COC[C@@H](C)N1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000076615745 462885921 /nfs/dbraw/zinc/88/59/21/462885921.db2.gz DJZIBBGZEIWXJL-SNVBAGLBSA-N 0 0 348.415 2.451 40 0 EEABRN CCCNC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714686 462901577 /nfs/dbraw/zinc/90/15/77/462901577.db2.gz FTLWOENYCBTRNU-CYBMUJFWSA-N 0 0 332.853 2.411 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133304832 462917813 /nfs/dbraw/zinc/91/78/13/462917813.db2.gz UPQBXVYQUFAFSO-OAHLLOKOSA-N 0 0 349.394 2.167 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000076988492 462932506 /nfs/dbraw/zinc/93/25/06/462932506.db2.gz KHKCJLWYRIWUPM-QGZVFWFLSA-N 0 0 329.444 2.305 40 0 EEABRN COC(=O)c1c[nH]c(=O)c(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1 ZINC000155721844 462934329 /nfs/dbraw/zinc/93/43/29/462934329.db2.gz BAFUQOWVDUYMGM-GHMZBOCLSA-N 0 0 332.381 2.274 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccnc1 ZINC000015435894 462953128 /nfs/dbraw/zinc/95/31/28/462953128.db2.gz MVDYJHUOKGVQCF-UHFFFAOYSA-N 0 0 345.424 2.427 40 0 EEABRN CCc1cccc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000134685692 463071206 /nfs/dbraw/zinc/07/12/06/463071206.db2.gz CGNFPIAZKNSTDN-GJZGRUSLSA-N 0 0 327.471 2.144 40 0 EEABRN Nc1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2ccccc12 ZINC000134902048 463094436 /nfs/dbraw/zinc/09/44/36/463094436.db2.gz OYWIHCXNSRWELQ-OAHLLOKOSA-N 0 0 337.383 2.090 40 0 EEABRN c1ccc(OC[C@@]23CCCO[C@@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040352 463145495 /nfs/dbraw/zinc/14/54/95/463145495.db2.gz WAYOXGFZSBQLIN-QAPCUYQASA-N 0 0 326.400 2.326 40 0 EEABRN c1ccc(CN2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041380 463146204 /nfs/dbraw/zinc/14/62/04/463146204.db2.gz KLUWYJKCWUYDKA-FHWLQOOXSA-N 0 0 325.412 2.425 40 0 EEABRN CCn1nc(C)cc1C(=O)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 ZINC000096042399 463148344 /nfs/dbraw/zinc/14/83/44/463148344.db2.gz ZUKFWYJGCQOYJK-OIISXLGYSA-N 0 0 333.432 2.010 40 0 EEABRN CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC ZINC000096044629 463149341 /nfs/dbraw/zinc/14/93/41/463149341.db2.gz ICRDXPRJAWIVNY-CQSZACIVSA-N 0 0 328.416 2.003 40 0 EEABRN O=C(c1ccco1)N1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC000096046571 463150405 /nfs/dbraw/zinc/15/04/05/463150405.db2.gz CCNAPCLLMWIJAS-UHFFFAOYSA-N 0 0 339.395 2.443 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cccnc1 ZINC000096045676 463150764 /nfs/dbraw/zinc/15/07/64/463150764.db2.gz JPYYMKPQKAMSBN-IAGOWNOFSA-N 0 0 344.411 2.472 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048516 463152156 /nfs/dbraw/zinc/15/21/56/463152156.db2.gz NGBZAXIGMKGESN-DYVFJYSZSA-N 0 0 346.362 2.085 40 0 EEABRN Cc1nc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c[nH]1 ZINC000078871637 463157499 /nfs/dbraw/zinc/15/74/99/463157499.db2.gz PHZFGJFNSQJARE-UHFFFAOYSA-N 0 0 348.834 2.208 40 0 EEABRN O=C(c1ccsc1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 ZINC000096058664 463160161 /nfs/dbraw/zinc/16/01/61/463160161.db2.gz VOLMXGSLXYBHNE-LBPRGKRZSA-N 0 0 329.425 2.283 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096057987 463160612 /nfs/dbraw/zinc/16/06/12/463160612.db2.gz QFNZDQIJMNLTSC-GVDBMIGSSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(COc1ccccc1)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096065780 463164325 /nfs/dbraw/zinc/16/43/25/463164325.db2.gz CNUFVHNMDATZBK-YQVWRLOYSA-N 0 0 331.412 2.250 40 0 EEABRN Cc1csc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)n1 ZINC000096100977 463172821 /nfs/dbraw/zinc/17/28/21/463172821.db2.gz CBFYGNWERGCNQQ-UHFFFAOYSA-N 0 0 347.444 2.454 40 0 EEABRN Cc1nc(CN2CCC[C@]3(C(=O)[O-])C[N@H+](C(C)C)C[C@@H]3C2)cs1 ZINC000096100051 463173464 /nfs/dbraw/zinc/17/34/64/463173464.db2.gz QESMQTGMBTXRGI-YOEHRIQHSA-N 0 0 337.489 2.459 40 0 EEABRN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000096103414 463174061 /nfs/dbraw/zinc/17/40/61/463174061.db2.gz NAAYFFIRKCDABB-OAHLLOKOSA-N 0 0 348.468 2.456 40 0 EEABRN O=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000157861162 463178897 /nfs/dbraw/zinc/17/88/97/463178897.db2.gz HRCPJXVDMQTWKF-OALUTQOASA-N 0 0 343.471 2.460 40 0 EEABRN COC[C@@H]1CN(C(=O)CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096198455 463204296 /nfs/dbraw/zinc/20/42/96/463204296.db2.gz SKGKKBJQJWUOPH-KRWDZBQOSA-N 0 0 347.459 2.182 40 0 EEABRN Cc1ccc(C(=O)N2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)o1 ZINC000096198302 463204603 /nfs/dbraw/zinc/20/46/03/463204603.db2.gz WSODRELBMSYFLV-OAHLLOKOSA-N 0 0 329.400 2.488 40 0 EEABRN Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cscn1)C2 ZINC000096198286 463204690 /nfs/dbraw/zinc/20/46/90/463204690.db2.gz PNGHWPYEGOBAQV-ZDUSSCGKSA-N 0 0 332.429 2.043 40 0 EEABRN O=S(=O)(c1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200036 463205601 /nfs/dbraw/zinc/20/56/01/463205601.db2.gz VBNCNDRWMUADRD-DLBZAZTESA-N 0 0 335.400 2.192 40 0 EEABRN CC[C@H]1OC[C@H]2CN(S(=O)(=O)c3cccc(OC)c3)CC[C@@H]12 ZINC000096206035 463208009 /nfs/dbraw/zinc/20/80/09/463208009.db2.gz OLSQSXOAHIAUJH-DAXOMENPSA-N 0 0 325.430 2.131 40 0 EEABRN Cc1csc(CN2CC[C@]3(C2)C[C@H](Nc2ncccn2)CCO3)n1 ZINC000096209199 463212445 /nfs/dbraw/zinc/21/24/45/463212445.db2.gz BFBSAZWKQTUDCK-RHSMWYFYSA-N 0 0 345.472 2.477 40 0 EEABRN CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096238206 463223645 /nfs/dbraw/zinc/22/36/45/463223645.db2.gz APPMODCOHYBCID-SFHVURJKSA-N 0 0 347.484 2.188 40 0 EEABRN O=C(c1ccoc1)N1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 ZINC000096249448 463227557 /nfs/dbraw/zinc/22/75/57/463227557.db2.gz FJFOYKRWNIXHGH-IAGOWNOFSA-N 0 0 327.384 2.185 40 0 EEABRN O=S(=O)(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCC1 ZINC000096403324 463238566 /nfs/dbraw/zinc/23/85/66/463238566.db2.gz YKMAVZPXHGNCEY-UHFFFAOYSA-N 0 0 336.369 2.323 40 0 EEABRN C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404369 463239628 /nfs/dbraw/zinc/23/96/28/463239628.db2.gz UTWIKRNTAHBQOH-OZAJXLCCSA-N 0 0 344.436 2.086 40 0 EEABRN CC(C)(C)c1ccc([C@H](O)CNC(=O)CCn2ccccc2=O)cc1 ZINC000096407878 463241745 /nfs/dbraw/zinc/24/17/45/463241745.db2.gz QZGJSOQBQPTCIV-QGZVFWFLSA-N 0 0 342.439 2.386 40 0 EEABRN C[C@@H](CNC(=O)NCC[C@H](O)C(F)(F)F)N1CCc2ccccc21 ZINC000096413279 463245839 /nfs/dbraw/zinc/24/58/39/463245839.db2.gz NVMOATXMONBEQF-FZMZJTMJSA-N 0 0 345.365 2.050 40 0 EEABRN O=C(NCCOc1cccc(Cl)c1)NCC[C@H](O)C(F)(F)F ZINC000096413285 463245853 /nfs/dbraw/zinc/24/58/53/463245853.db2.gz GUDFJKIUVUBBCF-NSHDSACASA-N 0 0 340.729 2.331 40 0 EEABRN O=C(CN1CCCNC1=O)NC(c1cccs1)c1cccs1 ZINC000096414510 463247469 /nfs/dbraw/zinc/24/74/69/463247469.db2.gz JAQCOEYOQSUWFY-UHFFFAOYSA-N 0 0 335.454 2.431 40 0 EEABRN CS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000096415360 463248174 /nfs/dbraw/zinc/24/81/74/463248174.db2.gz OZGNFEQIBMHQHZ-JKSUJKDBSA-N 0 0 338.473 2.132 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000096420030 463251599 /nfs/dbraw/zinc/25/15/99/463251599.db2.gz NLWLJWQGOJGJRL-LLVKDONJSA-N 0 0 347.242 2.305 40 0 EEABRN CCc1cc(NC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)n(C)n1 ZINC000096421721 463252847 /nfs/dbraw/zinc/25/28/47/463252847.db2.gz TTYZANRDUWVYAO-AWEZNQCLSA-N 0 0 348.353 2.252 40 0 EEABRN CCn1c(SCc2cccc(Cl)n2)nnc1N1CCOCC1 ZINC000096435642 463263482 /nfs/dbraw/zinc/26/34/82/463263482.db2.gz CIFKUQZQWJGSOQ-UHFFFAOYSA-N 0 0 339.852 2.475 40 0 EEABRN CC[C@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)CCS1 ZINC000096440364 463267397 /nfs/dbraw/zinc/26/73/97/463267397.db2.gz JPNJVFBQSWJZFP-NYHFZMIOSA-N 0 0 340.514 2.472 40 0 EEABRN CN(CCCN1CCOCC1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443337 463268488 /nfs/dbraw/zinc/26/84/88/463268488.db2.gz TVRRGTAMYRHMMG-SFHVURJKSA-N 0 0 344.434 2.359 40 0 EEABRN C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(Br)c(F)c1 ZINC000096452020 463272875 /nfs/dbraw/zinc/27/28/75/463272875.db2.gz UFVSGBOCZZVMKP-SECBINFHSA-N 0 0 336.226 2.207 40 0 EEABRN O=S(=O)(CC[C@H]1CCCO1)NCc1ncc(-c2ccccc2)o1 ZINC000096472417 463279035 /nfs/dbraw/zinc/27/90/35/463279035.db2.gz ZAGHXYBRBJJUTQ-CQSZACIVSA-N 0 0 336.413 2.330 40 0 EEABRN O=C(NCCO)NCc1ccc(Br)cc1C(F)(F)F ZINC000096486469 463283806 /nfs/dbraw/zinc/28/38/06/463283806.db2.gz PPFCIBMQMZUIOG-UHFFFAOYSA-N 0 0 341.127 2.259 40 0 EEABRN Cc1c[nH]c(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 ZINC000096496679 463289486 /nfs/dbraw/zinc/28/94/86/463289486.db2.gz JYFUCMRRNWMXHF-MRVPVSSYSA-N 0 0 329.326 2.258 40 0 EEABRN O=C(NCCc1nncn1C1CC1)[C@H]1SCCc2ccccc21 ZINC000080173165 463289879 /nfs/dbraw/zinc/28/98/79/463289879.db2.gz JQPUWPRADZISOX-INIZCTEOSA-N 0 0 328.441 2.302 40 0 EEABRN CCc1cnc([C@H](C)NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000096500354 463290372 /nfs/dbraw/zinc/29/03/72/463290372.db2.gz UFANMVIGPOKNJQ-WDEREUQCSA-N 0 0 336.461 2.077 40 0 EEABRN C[C@H](CCNC(=O)N[C@H]1CCCOc2c(F)cccc21)[S@](C)=O ZINC000096497021 463290436 /nfs/dbraw/zinc/29/04/36/463290436.db2.gz ICUWJKYCADFOFC-NKBPOABBSA-N 0 0 342.436 2.496 40 0 EEABRN OCCn1cc(Oc2ccc(I)cc2)cn1 ZINC000096528667 463293871 /nfs/dbraw/zinc/29/38/71/463293871.db2.gz PRQRBWBQQZTBFO-UHFFFAOYSA-N 0 0 330.125 2.272 40 0 EEABRN COc1ccc([C@@H](O)[C@@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519802 463294331 /nfs/dbraw/zinc/29/43/31/463294331.db2.gz KHMHTNNZADKFIU-ZJUUUORDSA-N 0 0 343.626 2.061 40 0 EEABRN C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C1CCC1 ZINC000097096033 463322724 /nfs/dbraw/zinc/32/27/24/463322724.db2.gz SSBXQLMLXNVTTI-JTQLQIEISA-N 0 0 339.233 2.484 40 0 EEABRN Cc1cccc2c(O)c(C(=O)N3CC[C@H]4OCCC[C@@H]4C3)cnc12 ZINC000097100868 463323976 /nfs/dbraw/zinc/32/39/76/463323976.db2.gz VBUHGNVPDUTTJY-CZUORRHYSA-N 0 0 326.396 2.478 40 0 EEABRN CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000069885640 463344304 /nfs/dbraw/zinc/34/43/04/463344304.db2.gz ALOCRFDEDSFABY-LBPRGKRZSA-N 0 0 343.445 2.043 40 0 EEABRN CCOCC(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238632 463354304 /nfs/dbraw/zinc/35/43/04/463354304.db2.gz SVYCADLAXMLTRI-BBRMVZONSA-N 0 0 330.350 2.392 40 0 EEABRN O=C(NCc1cccc(-c2nc[nH]n2)c1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000097378841 463358383 /nfs/dbraw/zinc/35/83/83/463358383.db2.gz LLDCZUJFXMBWTB-CVEARBPZSA-N 0 0 341.415 2.229 40 0 EEABRN CN(C)c1cccc(C(=O)NCC2CCN(c3cnccn3)CC2)c1 ZINC000070930349 463393868 /nfs/dbraw/zinc/39/38/68/463393868.db2.gz MVSMDNQBEDFYBE-UHFFFAOYSA-N 0 0 339.443 2.189 40 0 EEABRN Cc1nnsc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070962925 463397871 /nfs/dbraw/zinc/39/78/71/463397871.db2.gz NJDCZJWEEVAVFE-JTQLQIEISA-N 0 0 331.319 2.329 40 0 EEABRN Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(Cn2cccn2)o1 ZINC000071195551 463411266 /nfs/dbraw/zinc/41/12/66/463411266.db2.gz SKRFXPWLPGCFLK-CQSZACIVSA-N 0 0 325.372 2.065 40 0 EEABRN CCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000033663706 463423382 /nfs/dbraw/zinc/42/33/82/463423382.db2.gz ASIBKEVGIUXSFL-UHFFFAOYSA-N 0 0 332.853 2.018 40 0 EEABRN CCc1noc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n1 ZINC000041123615 463468556 /nfs/dbraw/zinc/46/85/56/463468556.db2.gz YQPCLZJHIHKQHY-WFASDCNBSA-N 0 0 343.383 2.178 40 0 EEABRN CCc1noc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000071987032 463479298 /nfs/dbraw/zinc/47/92/98/463479298.db2.gz VYVWQABBPXPTMN-BETUJISGSA-N 0 0 344.415 2.494 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(C)oc2C)c(C)o1 ZINC000081726283 463483964 /nfs/dbraw/zinc/48/39/64/463483964.db2.gz WIZXSMKYZDLNSU-SECBINFHSA-N 0 0 340.401 2.197 40 0 EEABRN Cc1cccc([C@@H]2[C@@H](n3cnnn3)C(=O)N2Cc2ccsc2)c1 ZINC000058162419 463546713 /nfs/dbraw/zinc/54/67/13/463546713.db2.gz IVOFDNAIUTUDMV-HUUCEWRRSA-N 0 0 325.397 2.368 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccccc3F)[C@H]2C1 ZINC000107249298 463563196 /nfs/dbraw/zinc/56/31/96/463563196.db2.gz UZFSBBNRIKENLA-QAPCUYQASA-N 0 0 346.427 2.331 40 0 EEABRN Fc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)cc1 ZINC000107738969 463580736 /nfs/dbraw/zinc/58/07/36/463580736.db2.gz ROCBYHMSAWGWIE-HKUYNNGSSA-N 0 0 345.418 2.330 40 0 EEABRN CCOC(=O)c1cnc2ccccc2c1NCC1(O)CCOCC1 ZINC000084800492 463632405 /nfs/dbraw/zinc/63/24/05/463632405.db2.gz YUKYVSBIBPNRMO-UHFFFAOYSA-N 0 0 330.384 2.365 40 0 EEABRN C[C@H](C(=O)NCc1cccnc1)n1cc(COc2ccccc2)nn1 ZINC000257173139 463755922 /nfs/dbraw/zinc/75/59/22/463755922.db2.gz DOYXWKLITQPLIH-CQSZACIVSA-N 0 0 337.383 2.130 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)Cc1csc(C)n1 ZINC000257280568 463760049 /nfs/dbraw/zinc/76/00/49/463760049.db2.gz OLJYNMWPRPKIFU-OAHLLOKOSA-N 0 0 331.441 2.176 40 0 EEABRN CCn1nccc1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257280447 463760109 /nfs/dbraw/zinc/76/01/09/463760109.db2.gz OKWXZJTWPJUGQU-CYBMUJFWSA-N 0 0 334.445 2.104 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257284437 463761106 /nfs/dbraw/zinc/76/11/06/463761106.db2.gz PCSBAVDTGKHHLQ-HNNXBMFYSA-N 0 0 344.415 2.370 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)cn1 ZINC000257284792 463761268 /nfs/dbraw/zinc/76/12/68/463761268.db2.gz PEIFCDNKELZQRK-WMZOPIPTSA-N 0 0 341.411 2.138 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)ccn1 ZINC000257285082 463761778 /nfs/dbraw/zinc/76/17/78/463761778.db2.gz PFONIAHFFVNXPK-ZDUSSCGKSA-N 0 0 333.823 2.379 40 0 EEABRN Cc1cccc(C[C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1 ZINC000257291226 463764555 /nfs/dbraw/zinc/76/45/55/463764555.db2.gz QGEKPIOENFOZOS-OAHLLOKOSA-N 0 0 327.432 2.198 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)CCc1cc(Cl)no1 ZINC000257289565 463764767 /nfs/dbraw/zinc/76/47/67/463764767.db2.gz PZFNPIRRURAERO-CQSZACIVSA-N 0 0 349.818 2.442 40 0 EEABRN CNC(=O)c1c[nH]nc1[C@@]1(C)CCCN(C(=O)c2cc(C)cs2)C1 ZINC000257297191 463767805 /nfs/dbraw/zinc/76/78/05/463767805.db2.gz RGGOOVMPFZFQMZ-KRWDZBQOSA-N 0 0 346.456 2.333 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCc2ccccc21 ZINC000268508317 463773006 /nfs/dbraw/zinc/77/30/06/463773006.db2.gz WYCNKSWLGSHQTI-CVEARBPZSA-N 0 0 340.427 2.496 40 0 EEABRN CC(=O)N1CCO[C@H](c2cc(NCc3ccccc3)nc(C)n2)C1 ZINC000257327903 463779069 /nfs/dbraw/zinc/77/90/69/463779069.db2.gz XDGGCTAYAKNLSL-KRWDZBQOSA-N 0 0 326.400 2.317 40 0 EEABRN CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1c1ccccc1 ZINC000257328300 463779837 /nfs/dbraw/zinc/77/98/37/463779837.db2.gz XFBLTCDBYAILFP-GOSISDBHSA-N 0 0 347.422 2.396 40 0 EEABRN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257331411 463781228 /nfs/dbraw/zinc/78/12/28/463781228.db2.gz XSTAWTJBSVGDQX-NSHDSACASA-N 0 0 341.383 2.331 40 0 EEABRN Cc1nccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4ccnn4C)C[C@@H]32)n1 ZINC000257334170 463782969 /nfs/dbraw/zinc/78/29/69/463782969.db2.gz YEUYDLWZRLTNGI-BFYDXBDKSA-N 0 0 339.443 2.250 40 0 EEABRN CCn1nccc1-c1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1 ZINC000257334188 463783180 /nfs/dbraw/zinc/78/31/80/463783180.db2.gz YEXOUJYAWQCHOD-UHFFFAOYSA-N 0 0 348.472 2.179 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)ccn1 ZINC000257336960 463784453 /nfs/dbraw/zinc/78/44/53/463784453.db2.gz YQUFZAOGSJCYEV-INIZCTEOSA-N 0 0 336.399 2.232 40 0 EEABRN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccnc1N1CCOCC1 ZINC000179098843 464056623 /nfs/dbraw/zinc/05/66/23/464056623.db2.gz BRRHWDPTDZWERM-QXAKKESOSA-N 0 0 349.434 2.376 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](O)c1cccs1 ZINC000195531271 464071602 /nfs/dbraw/zinc/07/16/02/464071602.db2.gz BLEHCGUYJPPOGW-OAHLLOKOSA-N 0 0 345.399 2.465 40 0 EEABRN O=C([O-])c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000263411115 464099952 /nfs/dbraw/zinc/09/99/52/464099952.db2.gz IYCDMPRFQPJTKC-UHFFFAOYSA-N 0 0 339.395 2.426 40 0 EEABRN O=C1c2ccccc2C(=O)N1CCCc1noc([C@H]2CCCCN2)n1 ZINC000218378883 464108472 /nfs/dbraw/zinc/10/84/72/464108472.db2.gz PRNDEHPLZDNYSJ-CQSZACIVSA-N 0 0 340.383 2.113 40 0 EEABRN CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222753761 464133092 /nfs/dbraw/zinc/13/30/92/464133092.db2.gz ZSQGYYOYHVBOTK-WBVHZDCISA-N 0 0 332.444 2.499 40 0 EEABRN CCn1c2cccc(F)c2nc1CN1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284274002 464133500 /nfs/dbraw/zinc/13/35/00/464133500.db2.gz NADWFMQOUBYMKI-CYBMUJFWSA-N 0 0 343.410 2.243 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223637364 464145226 /nfs/dbraw/zinc/14/52/26/464145226.db2.gz WSYHMUHOJBIUEZ-GHMZBOCLSA-N 0 0 348.415 2.424 40 0 EEABRN Cc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(C)c1 ZINC000224224541 464149252 /nfs/dbraw/zinc/14/92/52/464149252.db2.gz QEUOUDKDYSOKSC-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1cccs1 ZINC000224214273 464149797 /nfs/dbraw/zinc/14/97/97/464149797.db2.gz ARAPOOGZQVCMBN-UHFFFAOYSA-N 0 0 338.458 2.007 40 0 EEABRN COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225223978 464154657 /nfs/dbraw/zinc/15/46/57/464154657.db2.gz JZYIVJBTPMXLFT-STQMWFEESA-N 0 0 342.461 2.010 40 0 EEABRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(C)(C)O)ccc21 ZINC000225431782 464159224 /nfs/dbraw/zinc/15/92/24/464159224.db2.gz BDYHQPSQTJQNHP-UHFFFAOYSA-N 0 0 331.416 2.219 40 0 EEABRN O=C(NC[C@@H]1CCCO1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000225551284 464170249 /nfs/dbraw/zinc/17/02/49/464170249.db2.gz ZLYWGGMFNUANRA-KRWDZBQOSA-N 0 0 343.427 2.282 40 0 EEABRN O=C(NC1CCN(c2nccs2)CC1)N[C@@H]1CCCc2c[nH]nc21 ZINC000225582646 464173705 /nfs/dbraw/zinc/17/37/05/464173705.db2.gz KWRAZCHOGUYRMZ-CYBMUJFWSA-N 0 0 346.460 2.212 40 0 EEABRN CCOC(=O)c1ccccc1S(=O)(=O)N1CCS[C@@H](CC)C1 ZINC000225673608 464179253 /nfs/dbraw/zinc/17/92/53/464179253.db2.gz BJLXWVSMDFBLGJ-LBPRGKRZSA-N 0 0 343.470 2.379 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](CO)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000242554668 464457991 /nfs/dbraw/zinc/45/79/91/464457991.db2.gz MSIWLWCTKVVSOR-ZTFGCOKTSA-N 0 0 346.404 2.272 40 0 EEABRN Cn1cnnc1SCCNC(=O)c1ccnc(OC2CCCC2)c1 ZINC000244909767 464465300 /nfs/dbraw/zinc/46/53/00/464465300.db2.gz AUMDIBYKCDRLDN-UHFFFAOYSA-N 0 0 347.444 2.054 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000245187574 464467168 /nfs/dbraw/zinc/46/71/68/464467168.db2.gz ZPBTUSCCBPZOMC-OAHLLOKOSA-N 0 0 326.400 2.316 40 0 EEABRN CC1CCN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CC1 ZINC000281807451 464592897 /nfs/dbraw/zinc/59/28/97/464592897.db2.gz RDHORSMBNDZKLY-UHFFFAOYSA-N 0 0 338.473 2.085 40 0 EEABRN CCc1cccc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246582156 464601873 /nfs/dbraw/zinc/60/18/73/464601873.db2.gz CGNFPIAZKNSTDN-HUUCEWRRSA-N 0 0 327.471 2.144 40 0 EEABRN CCN1CN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CC1=O ZINC000190152181 464603248 /nfs/dbraw/zinc/60/32/48/464603248.db2.gz XHMCIBUAVMAHIN-UHFFFAOYSA-N 0 0 347.806 2.488 40 0 EEABRN Cc1cnc([C@H](C)CNC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000190714128 464706520 /nfs/dbraw/zinc/70/65/20/464706520.db2.gz UENUDIWMAKTBQH-GFCCVEGCSA-N 0 0 346.456 2.217 40 0 EEABRN O=C(c1cccs1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000247791109 464706660 /nfs/dbraw/zinc/70/66/60/464706660.db2.gz ABPKFFPRRHSNSZ-ZDUSSCGKSA-N 0 0 330.409 2.453 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@H]1C(=O)NCCC[C@H]1CCOC1 ZINC000247980804 464718942 /nfs/dbraw/zinc/71/89/42/464718942.db2.gz WZGBCBAHWCCFKK-IIYDPXPESA-N 0 0 334.391 2.498 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000248064623 464727507 /nfs/dbraw/zinc/72/75/07/464727507.db2.gz ZMOCDRCAPMFAMF-SCRDCRAPSA-N 0 0 340.395 2.058 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000191125678 464780655 /nfs/dbraw/zinc/78/06/55/464780655.db2.gz PWVJRJPSOYMFMH-IRXDYDNUSA-N 0 0 331.460 2.421 40 0 EEABRN COC(=O)c1oc(CN2CCSC[C@@H]2c2cnn(C)c2)cc1C ZINC000191211219 464799541 /nfs/dbraw/zinc/79/95/41/464799541.db2.gz HZVODCHLOPWNHT-CQSZACIVSA-N 0 0 335.429 2.398 40 0 EEABRN CCc1ccccc1N1C(=O)C[C@H](N2CCCC[C@H]2CCO)C1=O ZINC000250272371 464928996 /nfs/dbraw/zinc/92/89/96/464928996.db2.gz RQJXGTSSYZVUCD-RDJZCZTQSA-N 0 0 330.428 2.118 40 0 EEABRN O=C(NCCn1cccn1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192488380 464934260 /nfs/dbraw/zinc/93/42/60/464934260.db2.gz XAJSUWQRTXXYJG-UHFFFAOYSA-N 0 0 348.834 2.230 40 0 EEABRN CCOCCCNC(=O)CCCn1cc(COc2ccccc2)nn1 ZINC000252485283 464964146 /nfs/dbraw/zinc/96/41/46/464964146.db2.gz GQCGEYRRTXMFAS-UHFFFAOYSA-N 0 0 346.431 2.180 40 0 EEABRN COc1ccc(CN(C)C(=O)[C@H]2CCCC23OCCO3)c(OC)c1 ZINC000252502807 464972445 /nfs/dbraw/zinc/97/24/45/464972445.db2.gz UTFWXFLEEMQFKR-OAHLLOKOSA-N 0 0 335.400 2.205 40 0 EEABRN Cn1cc([C@@H](O)C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)cn1 ZINC000252501675 464972904 /nfs/dbraw/zinc/97/29/04/464972904.db2.gz UHPXFWMYIMRTQJ-QGZVFWFLSA-N 0 0 327.428 2.336 40 0 EEABRN C[C@@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@@H](C)O1 ZINC000192667009 464973605 /nfs/dbraw/zinc/97/36/05/464973605.db2.gz ITFWMVJMBQYCKH-NXEZZACHSA-N 0 0 349.328 2.325 40 0 EEABRN COC(=O)[C@@H](Sc1nnnn1Cc1ccco1)c1ccsc1 ZINC000252507999 464973972 /nfs/dbraw/zinc/97/39/72/464973972.db2.gz WZSOBXBOJGJEFK-NSHDSACASA-N 0 0 336.398 2.382 40 0 EEABRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C[NH3+])cc1 ZINC000252515968 464978214 /nfs/dbraw/zinc/97/82/14/464978214.db2.gz OZIFQFHUBZQUSV-QRVBRYPASA-N 0 0 344.480 2.153 40 0 EEABRN CN(C)c1cccc(CCC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000253392587 464997599 /nfs/dbraw/zinc/99/75/99/464997599.db2.gz AMEFAJSJKCGELJ-QFBILLFUSA-N 0 0 332.444 2.140 40 0 EEABRN COC(=O)[C@H](N[C@H]1CCCN(c2cc(C)nn2C)C1)c1ccsc1 ZINC000253425368 465010625 /nfs/dbraw/zinc/01/06/25/465010625.db2.gz IJQSNJSFBAPCOM-GOEBONIOSA-N 0 0 348.472 2.263 40 0 EEABRN O=C1[C@H](Sc2nccc(C(F)(F)F)n2)CCN1C1CCOCC1 ZINC000253428508 465012119 /nfs/dbraw/zinc/01/21/19/465012119.db2.gz IZAKIFXXIDFIJW-SNVBAGLBSA-N 0 0 347.362 2.367 40 0 EEABRN C[C@@H]1CN(C(=O)NCCc2ccc(F)c(F)c2)C[C@]2(CCOC2)O1 ZINC000253429996 465013558 /nfs/dbraw/zinc/01/35/58/465013558.db2.gz WRGRKLCZARWKRZ-PXAZEXFGSA-N 0 0 340.370 2.097 40 0 EEABRN CCc1nnc(CN2CCC(n3cc(Br)cn3)CC2)[nH]1 ZINC000253429910 465013663 /nfs/dbraw/zinc/01/36/63/465013663.db2.gz VWWGQACQPUKRDP-UHFFFAOYSA-N 0 0 339.241 2.163 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000306130105 466489983 /nfs/dbraw/zinc/48/99/83/466489983.db2.gz IWINDTRVBUMBDN-BFYDXBDKSA-N 0 0 330.428 2.262 40 0 EEABRN Cn1ccc(-c2nc(C(=O)NCCCn3ccnc3)c3ccccn32)c1 ZINC000306138715 466493112 /nfs/dbraw/zinc/49/31/12/466493112.db2.gz SFLNPDGINIEPRU-UHFFFAOYSA-N 0 0 348.410 2.356 40 0 EEABRN Cn1ccc(C(=O)N2CCn3c(-c4cccc(F)c4)cnc3C2)n1 ZINC000306144386 466494434 /nfs/dbraw/zinc/49/44/34/466494434.db2.gz ZDTQQECDEMSOFG-UHFFFAOYSA-N 0 0 325.347 2.079 40 0 EEABRN COC(=O)c1cc(OC(=O)c2ccccc2Br)nn1C ZINC000408561901 466681189 /nfs/dbraw/zinc/68/11/89/466681189.db2.gz LLUCNEGYVIUFIV-UHFFFAOYSA-N 0 0 339.145 2.188 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408554503 466681509 /nfs/dbraw/zinc/68/15/09/466681509.db2.gz SMIIQACXCXYYDW-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1 ZINC000409206885 466686866 /nfs/dbraw/zinc/68/68/66/466686866.db2.gz QVLBVAAEIODKFE-CYBMUJFWSA-N 0 0 342.461 2.011 40 0 EEABRN CCc1ccccc1-c1noc(-c2coc(S(=O)(=O)NC)c2)n1 ZINC000390833469 467413946 /nfs/dbraw/zinc/41/39/46/467413946.db2.gz IAQKHXUGXSIRCH-UHFFFAOYSA-N 0 0 333.369 2.467 40 0 EEABRN O=C(C1CCC1)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406594 468142700 /nfs/dbraw/zinc/14/27/00/468142700.db2.gz PWFWDJVMIHUSAX-BZSNNMDCSA-N 0 0 330.428 2.262 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000585102285 468970617 /nfs/dbraw/zinc/97/06/17/468970617.db2.gz WDECBSCEKXEUAA-UHFFFAOYSA-N 0 0 341.455 2.265 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](Oc2ccccn2)CCO3)cn1 ZINC000585105361 468972019 /nfs/dbraw/zinc/97/20/19/468972019.db2.gz UZJQSUKWZZYYQL-MRXNPFEDSA-N 0 0 328.416 2.110 40 0 EEABRN CCCCN(C)c1ccc(C(=O)NCCCN2CN=NC2=O)cc1 ZINC000585140313 468988956 /nfs/dbraw/zinc/98/89/56/468988956.db2.gz BRDGVVGYASBOBN-UHFFFAOYSA-N 0 0 331.420 2.040 40 0 EEABRN Cc1nnc(N)n1C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000585141524 468990438 /nfs/dbraw/zinc/99/04/38/468990438.db2.gz BNWAXZQDQUYNOI-UHFFFAOYSA-N 0 0 326.326 2.424 40 0 EEABRN O=C(CCCc1ccncc1)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585271328 468996718 /nfs/dbraw/zinc/99/67/18/468996718.db2.gz GDBJFPPZBVTZPY-FQEVSTJZSA-N 0 0 340.423 2.447 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCCN(C(=O)Cc3ccncc3)C2)c1 ZINC000585275888 469000282 /nfs/dbraw/zinc/00/02/82/469000282.db2.gz GGPSGQJWQMMDFD-HXUWFJFHSA-N 0 0 340.423 2.365 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585278952 469005084 /nfs/dbraw/zinc/00/50/84/469005084.db2.gz JMKRYUPEMCJOMY-PBHICJAKSA-N 0 0 332.375 2.198 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cccc3ncccc32)C1 ZINC000585279709 469005772 /nfs/dbraw/zinc/00/57/72/469005772.db2.gz XUSWUUJFECYETR-LJQANCHMSA-N 0 0 341.411 2.122 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2ccnc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279869 469006588 /nfs/dbraw/zinc/00/65/88/469006588.db2.gz RRYDPNPXIBDUCD-MSOLQXFVSA-N 0 0 327.428 2.298 40 0 EEABRN O=C([O-])C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1Oc1cccnc1 ZINC000585285576 469007632 /nfs/dbraw/zinc/00/76/32/469007632.db2.gz KWQVXFMRXOGXLL-NVXWUHKLSA-N 0 0 327.384 2.221 40 0 EEABRN Cn1nnc2c1nccc2-c1nc(C2(c3ccncc3)CCC2)no1 ZINC000656034974 471574817 /nfs/dbraw/zinc/57/48/17/471574817.db2.gz QQCGVPXOJOUMEU-UHFFFAOYSA-N 0 0 333.355 2.278 40 0 EEABRN S=C(NC[C@@H]1CCCO1)Nc1ccc(Sc2ncccn2)nc1 ZINC000223899453 485533733 /nfs/dbraw/zinc/53/37/33/485533733.db2.gz NNXWIXKLMMGLHY-LBPRGKRZSA-N 0 0 347.469 2.488 40 0 EEABRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)C(C)(C)O)c2)cc1 ZINC000191773693 534049345 /nfs/dbraw/zinc/04/93/45/534049345.db2.gz ZTZVZJIBCKMQCR-UHFFFAOYSA-N 0 0 340.423 2.312 40 0 EEABRN C[C@@]1(C(N)=O)CCCCN1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189202683 534265096 /nfs/dbraw/zinc/26/50/96/534265096.db2.gz KQHZXNYKKRAEQX-INIZCTEOSA-N 0 0 336.342 2.245 40 0 EEABRN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000096461439 534468389 /nfs/dbraw/zinc/46/83/89/534468389.db2.gz OEWJCNHMFONXLB-NVXWUHKLSA-N 0 0 347.463 2.012 40 0 EEABRN CCSCCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000253394361 521701383 /nfs/dbraw/zinc/70/13/83/521701383.db2.gz CQSZTQIOEMOKOG-GFCCVEGCSA-N 0 0 325.482 2.159 40 0 EEABRN C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000044868165 524940471 /nfs/dbraw/zinc/94/04/71/524940471.db2.gz ADXTZLKNFCGOCF-NSHDSACASA-N 0 0 338.454 2.206 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000192185150 534847071 /nfs/dbraw/zinc/84/70/71/534847071.db2.gz GRYRBINPAIOSAN-CQSZACIVSA-N 0 0 332.310 2.077 40 0 EEABRN O=C(C1CCCC1)N1CCC[C@@H](Cn2nnc(-c3ccccn3)n2)C1 ZINC000019403495 526296088 /nfs/dbraw/zinc/29/60/88/526296088.db2.gz DJJHEVGRIXQKDX-CQSZACIVSA-N 0 0 340.431 2.164 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032951859 528060786 /nfs/dbraw/zinc/06/07/86/528060786.db2.gz RAXWLBKTVDVTFV-LSDHHAIUSA-N 0 0 338.473 2.392 40 0 EEABRN CC(C)CS(=O)(=O)CC(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000183903806 528200606 /nfs/dbraw/zinc/20/06/06/528200606.db2.gz QCEDQHHNUXYWQK-UHFFFAOYSA-N 0 0 339.392 2.021 40 0 EEABRN CCOc1cc(CNn2nnnc2N)ccc1OCc1cccs1 ZINC000007602631 528288855 /nfs/dbraw/zinc/28/88/55/528288855.db2.gz UIWYWZADLVHXPR-UHFFFAOYSA-N 0 0 346.416 2.038 40 0 EEABRN CCOc1cccc(N2CCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)n1 ZINC000173168742 528660742 /nfs/dbraw/zinc/66/07/42/528660742.db2.gz LNMAGOYRSQPEGA-JKSUJKDBSA-N 0 0 347.459 2.477 40 0 EEABRN CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181936192 528680424 /nfs/dbraw/zinc/68/04/24/528680424.db2.gz DHUQKLOMHHMYSE-JTQLQIEISA-N 0 0 338.351 2.290 40 0 EEABRN CC[C@@H](C(=O)[O-])[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000191434600 529294790 /nfs/dbraw/zinc/29/47/90/529294790.db2.gz MCHAJEVZPIARIL-HNNXBMFYSA-N 0 0 329.400 2.322 40 0 EEABRN CCC[C@@]12CCCN1C(=O)N([C@H]1CCN(c3ccccn3)C1)C2=O ZINC000241161344 535572587 /nfs/dbraw/zinc/57/25/87/535572587.db2.gz JZYLHQAEOGEZIQ-KSSFIOAISA-N 0 0 328.416 2.257 40 0 EEABRN CCN1CCO[C@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000081326515 535764607 /nfs/dbraw/zinc/76/46/07/535764607.db2.gz DXIBWZMNJKIHRM-KRWDZBQOSA-N 0 0 335.423 2.475 40 0 EEABRN CCc1nnsc1C(=O)N1CCN(C)[C@@H](c2ccccc2OC)C1 ZINC000257243431 535865219 /nfs/dbraw/zinc/86/52/19/535865219.db2.gz IGXUBGLIPMVYND-CQSZACIVSA-N 0 0 346.456 2.238 40 0 EEABRN CN(C)S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225737715 536114738 /nfs/dbraw/zinc/11/47/38/536114738.db2.gz ORFITOVQYLUJDB-UHFFFAOYSA-N 0 0 348.449 2.362 40 0 EEABRN CN(C)c1cccc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 ZINC000257241823 536151871 /nfs/dbraw/zinc/15/18/71/536151871.db2.gz HZTNYEPPSDJQTR-QGZVFWFLSA-N 0 0 343.402 2.429 40 0 EEABRN COC(=O)CN1CCO[C@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494553 536471781 /nfs/dbraw/zinc/47/17/81/536471781.db2.gz GULZMVRMNVJVTN-JTQLQIEISA-N 0 0 334.199 2.246 40 0 EEABRN COc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257238762 536613792 /nfs/dbraw/zinc/61/37/92/536613792.db2.gz HMKWAWVRZGAJQW-NVXWUHKLSA-N 0 0 349.333 2.238 40 0 EEABRN COC(=O)[C@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cc(C)cc(C)c1 ZINC000253421549 536720602 /nfs/dbraw/zinc/72/06/02/536720602.db2.gz XRIVRNXDNGIGPM-CXAGYDPISA-N 0 0 341.411 2.162 40 0 EEABRN COc1ccccc1OCc1cn(CC(=O)N2CCC[C@H](C)C2)nn1 ZINC000227160524 537098863 /nfs/dbraw/zinc/09/88/63/537098863.db2.gz GIFHMJOGVDSAEV-AWEZNQCLSA-N 0 0 344.415 2.124 40 0 EEABRN Cc1cnc(OC(C)C)c(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1 ZINC000931585498 1207419447 /nfs/dbraw/zinc/41/94/47/1207419447.db2.gz RFWQRGBURLPSRQ-UGSOOPFHSA-N 0 0 346.431 2.297 40 0 EEABRN CC1(C)Cc2[nH]c3nc(=O)n(C4CCCCC4)c(=O)c-3cc2CO1 ZINC000027825827 1351695736 /nfs/dbraw/zinc/69/57/36/1351695736.db2.gz DPOHDLXYXKOGFX-UHFFFAOYSA-N 0 0 329.400 2.441 40 0 EEABRN C[C@]1(C(=O)NCCc2ccccn2)Sc2ccccc2NC1=O ZINC000041644115 1352510243 /nfs/dbraw/zinc/51/02/43/1352510243.db2.gz CXVQLJWFEVWFFF-QGZVFWFLSA-N 0 0 327.409 2.243 40 0 EEABRN COc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H](C)O)cc1 ZINC000096184276 1357932310 /nfs/dbraw/zinc/93/23/10/1357932310.db2.gz QYHICOZNDUCXDX-AFAVFJNCSA-N 0 0 343.452 2.444 40 0 EEABRN Cc1noc([C@]23CCC[C@H]2CN(C(=O)Nc2ccnnc2C)C3)n1 ZINC000930816546 1410277000 /nfs/dbraw/zinc/27/70/00/1410277000.db2.gz MUKAISFNKHXUQC-LRDDRELGSA-N 0 0 328.376 2.062 40 0 EEABRN CCc1cc(NC(=O)NCc2ncc(Br)cn2)no1 ZINC001548453486 1124295052 /nfs/dbraw/zinc/29/50/52/1124295052.db2.gz FUPATJZLTOPORL-UHFFFAOYSA-N 0 0 326.154 2.111 40 0 EEABRN O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1 ZINC000004730933 210262499 /nfs/dbraw/zinc/26/24/99/210262499.db2.gz YKKINZYTYICBHW-LMHVJCSRSA-N 0 0 330.771 2.086 40 0 EEABRN COC(=O)/C(=C/c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000004706226 210254218 /nfs/dbraw/zinc/25/42/18/210254218.db2.gz MSSBDRDTVQLIKN-VBKFSLOCSA-N 0 0 331.393 2.487 40 0 EEABRN O=C(NCc1nnc2ccccn21)NCc1ccccc1OC(F)F ZINC000055073961 214269409 /nfs/dbraw/zinc/26/94/09/214269409.db2.gz VXORLPJFMMFSNF-UHFFFAOYSA-N 0 0 347.325 2.330 40 0 EEABRN O=C(NC[C@@H]1CCCO1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000055084827 214270782 /nfs/dbraw/zinc/27/07/82/214270782.db2.gz WIUPFGJZMROWHQ-INIZCTEOSA-N 0 0 336.407 2.352 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000055548009 214329815 /nfs/dbraw/zinc/32/98/15/214329815.db2.gz JLGDNBJQEIUWIT-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)NC4CC4)CC3)cc12 ZINC000056005669 214352971 /nfs/dbraw/zinc/35/29/71/214352971.db2.gz XQPDHXJVLUKWPN-UHFFFAOYSA-N 0 0 346.456 2.074 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000056906096 214394292 /nfs/dbraw/zinc/39/42/92/214394292.db2.gz XRNJPAFNLFOURR-LSDHHAIUSA-N 0 0 326.371 2.176 40 0 EEABRN CN(C(=O)c1cccc(N)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000178560493 232257282 /nfs/dbraw/zinc/25/72/82/232257282.db2.gz QRWKXQQLTWHBFD-INIZCTEOSA-N 0 0 327.359 2.285 40 0 EEABRN O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc[nH]c1 ZINC000068330767 215300122 /nfs/dbraw/zinc/30/01/22/215300122.db2.gz ZKAUQLUKVKJTNY-UHFFFAOYSA-N 0 0 347.440 2.119 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1=O ZINC000080312360 282705637 /nfs/dbraw/zinc/70/56/37/282705637.db2.gz UIPNVLBFTFUZDC-IEBWSBKVSA-N 0 0 348.406 2.240 40 0 EEABRN CS(=O)(=O)Nc1cccc(C(=O)NCCc2ccc(F)cc2)c1 ZINC000068967678 215350286 /nfs/dbraw/zinc/35/02/86/215350286.db2.gz RIUHORUGGVFXGU-UHFFFAOYSA-N 0 0 336.388 2.170 40 0 EEABRN CCc1noc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000040714677 213372659 /nfs/dbraw/zinc/37/26/59/213372659.db2.gz CSVVOCJGXITWFS-UHFFFAOYSA-N 0 0 335.429 2.341 40 0 EEABRN Cn1cnnc1[C@H]1CCCN1C(=O)N[C@H]1CCc2c1cccc2F ZINC000096489332 282795676 /nfs/dbraw/zinc/79/56/76/282795676.db2.gz GLJPMVJKBBPTEP-LSDHHAIUSA-N 0 0 329.379 2.488 40 0 EEABRN CC(=O)Nc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000040042722 213253790 /nfs/dbraw/zinc/25/37/90/213253790.db2.gz YSVTXPJRPJYVGW-QGZVFWFLSA-N 0 0 326.352 2.101 40 0 EEABRN CCn1c(=O)c2c(nc(SCc3ccc(C)cc3)n2C)n(C)c1=O ZINC000000887126 209694589 /nfs/dbraw/zinc/69/45/89/209694589.db2.gz WYAKZGYGOSEQES-UHFFFAOYSA-N 0 0 344.440 2.054 40 0 EEABRN O=C(COc1ccccc1F)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000038490029 213211453 /nfs/dbraw/zinc/21/14/53/213211453.db2.gz AKWLNSMGYNVVNO-UONOGXRCSA-N 0 0 342.370 2.012 40 0 EEABRN C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1cc2ccccc2s1 ZINC000189603557 237062538 /nfs/dbraw/zinc/06/25/38/237062538.db2.gz IREUNYURRNPFAT-LLVKDONJSA-N 0 0 340.470 2.360 40 0 EEABRN O=C(Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2 ZINC000000415052 209578529 /nfs/dbraw/zinc/57/85/29/209578529.db2.gz WJQCXXMIZPIAKW-UHFFFAOYSA-N 0 0 328.353 2.056 40 0 EEABRN CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)[C@H]1CO ZINC000072321446 216150354 /nfs/dbraw/zinc/15/03/54/216150354.db2.gz WIUQLYDGGKNHEQ-SJLPKXTDSA-N 0 0 346.427 2.096 40 0 biogenic,in-vitro EEABRN Cc1nc(Nc2nccs2)cc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360240 216165715 /nfs/dbraw/zinc/16/57/15/216165715.db2.gz WOGLMZGNJVFRHY-LLVKDONJSA-N 0 0 339.446 2.082 40 0 EEABRN Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072359999 216165763 /nfs/dbraw/zinc/16/57/63/216165763.db2.gz AXSLPNYGWRIFBI-CYBMUJFWSA-N 0 0 347.444 2.063 40 0 EEABRN Cn1cc(C(N)=O)c(CC2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000072352132 216161645 /nfs/dbraw/zinc/16/16/45/216161645.db2.gz XPNDAXFGNIRJPP-UHFFFAOYSA-N 0 0 346.475 2.271 40 0 EEABRN Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000072374650 216177323 /nfs/dbraw/zinc/17/73/23/216177323.db2.gz JCLDVIJLNNZVRV-AWEZNQCLSA-N 0 0 348.410 2.210 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000072383542 216183565 /nfs/dbraw/zinc/18/35/65/216183565.db2.gz AVYDOFNMMPRCGV-HNNXBMFYSA-N 0 0 340.431 2.428 40 0 EEABRN CN(C)C(=O)CCc1cccc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072382852 216183954 /nfs/dbraw/zinc/18/39/54/216183954.db2.gz ZZOJHTORCWPNQM-INIZCTEOSA-N 0 0 325.416 2.234 40 0 EEABRN Cc1nc([C@@H]2CCN2C(=O)c2cscn2)cc(N2CCCC2)n1 ZINC000072387587 216186645 /nfs/dbraw/zinc/18/66/45/216186645.db2.gz JBVRKNCAMBUJBT-AWEZNQCLSA-N 0 0 329.429 2.429 40 0 EEABRN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 ZINC000028223577 212605476 /nfs/dbraw/zinc/60/54/76/212605476.db2.gz YIFRCSMOLQFOOU-ZDUSSCGKSA-N 0 0 349.412 2.022 40 0 EEABRN Cc1ccc(F)cc1NC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000027975963 212591011 /nfs/dbraw/zinc/59/10/11/212591011.db2.gz WXQZXWAXZNSVGA-UHFFFAOYSA-N 0 0 327.319 2.127 40 0 EEABRN C[C@H](C(=O)NC1(c2cccc(F)c2)CCOCC1)N1CCCCC1=O ZINC000072533690 216269979 /nfs/dbraw/zinc/26/99/79/216269979.db2.gz VGSPGHUTJIIUAV-CQSZACIVSA-N 0 0 348.418 2.349 40 0 EEABRN CC(C)c1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)cs1 ZINC000072661693 216290134 /nfs/dbraw/zinc/29/01/34/216290134.db2.gz LZFRIGZLRGUDHW-UHFFFAOYSA-N 0 0 337.470 2.477 40 0 EEABRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccncc1 ZINC000191151516 238928644 /nfs/dbraw/zinc/92/86/44/238928644.db2.gz XAQIZDZMNVZFIZ-INIZCTEOSA-N 0 0 345.349 2.281 40 0 EEABRN Nc1nc(N)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2n1 ZINC000006184630 283686360 /nfs/dbraw/zinc/68/63/60/283686360.db2.gz BEOVNLZTAZDKBA-UHFFFAOYSA-N 0 0 334.788 2.280 40 0 EEABRN CCOC(=O)CCC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000075165171 216592649 /nfs/dbraw/zinc/59/26/49/216592649.db2.gz NMSYWPNYMITMSM-UHFFFAOYSA-N 0 0 349.309 2.138 40 0 EEABRN CCn1ncnc1CN1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000193429473 240161055 /nfs/dbraw/zinc/16/10/55/240161055.db2.gz XCXDCGHKWBKROS-HNNXBMFYSA-N 0 0 343.431 2.218 40 0 EEABRN CCN(CC)CC[NH2+][C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000022466366 212299395 /nfs/dbraw/zinc/29/93/95/212299395.db2.gz VFCICZRCXXDCFD-AWEZNQCLSA-N 0 0 341.839 2.053 40 0 EEABRN C[C@H](C(=O)N1CCc2sccc2C1)n1nc(-c2ccco2)oc1=O ZINC000193364610 240132291 /nfs/dbraw/zinc/13/22/91/240132291.db2.gz YCSBOZJWZGSEKU-SNVBAGLBSA-N 0 0 345.380 2.304 40 0 EEABRN Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022274983 212287457 /nfs/dbraw/zinc/28/74/57/212287457.db2.gz MVJOIBNAXCFWNJ-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN COC(=O)C1(c2ccccc2)CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000195575580 241022948 /nfs/dbraw/zinc/02/29/48/241022948.db2.gz ZSRGLZZSEOSCAD-UHFFFAOYSA-N 0 0 347.802 2.135 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2nccc(N3CCCCC3)n2)s1 ZINC000211095544 241079920 /nfs/dbraw/zinc/07/99/20/241079920.db2.gz IMOZMVUPVVHIDI-UHFFFAOYSA-N 0 0 331.445 2.470 40 0 EEABRN CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222753888 241552573 /nfs/dbraw/zinc/55/25/73/241552573.db2.gz ZSQGYYOYHVBOTK-NVXWUHKLSA-N 0 0 332.444 2.499 40 0 EEABRN COC(=O)COc1c(I)ccc2cccnc21 ZINC000225391887 241838226 /nfs/dbraw/zinc/83/82/26/241838226.db2.gz KLWNWQSGVMSPIT-UHFFFAOYSA-N 0 0 343.120 2.391 40 0 EEABRN COc1cc(OC)nc(NC(=S)NCCCc2ccccc2)n1 ZINC000225964246 242081227 /nfs/dbraw/zinc/08/12/27/242081227.db2.gz IREBERMLVDLKEH-UHFFFAOYSA-N 0 0 332.429 2.413 40 0 EEABRN Cc1ccc(C2=NO[C@H](CNC(=O)NCCc3ccccn3)C2)cc1 ZINC000225744697 242013704 /nfs/dbraw/zinc/01/37/04/242013704.db2.gz SENWETROVZKGOB-KRWDZBQOSA-N 0 0 338.411 2.425 40 0 EEABRN C[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@H](C2CC2)O1 ZINC000241965720 243007601 /nfs/dbraw/zinc/00/76/01/243007601.db2.gz UVCNMZXOVZXIGN-BLLLJJGKSA-N 0 0 330.432 2.105 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1COC[C@H]1O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000245343921 243102976 /nfs/dbraw/zinc/10/29/76/243102976.db2.gz WMDFCCKAYMQOEJ-RDBQEKCUSA-N 0 0 346.349 2.256 40 0 EEABRN C[C@H](CNc1ncccc1C(=O)N1CCCCC1)N1CCOC[C@H]1C ZINC000245287242 243104018 /nfs/dbraw/zinc/10/40/18/243104018.db2.gz BQHBBKWOKBTRSN-HZPDHXFCSA-N 0 0 346.475 2.229 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](OCc2ccccn2)CCO3)n(C)n1 ZINC000248032303 243507954 /nfs/dbraw/zinc/50/79/54/243507954.db2.gz LQIYZTDVVPYEDI-GOSISDBHSA-N 0 0 342.443 2.074 40 0 EEABRN CCC[C@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1)C2=O ZINC000253431809 284095284 /nfs/dbraw/zinc/09/52/84/284095284.db2.gz UDRSERVUKAJBAV-BXUZGUMPSA-N 0 0 333.354 2.220 40 0 EEABRN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC=C(F)C3)ccc21 ZINC000253419952 243953013 /nfs/dbraw/zinc/95/30/13/243953013.db2.gz ASFHTRFRXJYGIS-UHFFFAOYSA-N 0 0 338.404 2.098 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1OC ZINC000020483768 212136535 /nfs/dbraw/zinc/13/65/35/212136535.db2.gz CVIYLMMHVXYHIZ-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN Cc1ccsc1CN1Cc2ccnn2[C@H](CN2CCCC2=O)C1 ZINC000253598671 244031195 /nfs/dbraw/zinc/03/11/95/244031195.db2.gz FVWOMCXGOOGIOB-HNNXBMFYSA-N 0 0 330.457 2.432 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257201818 244121081 /nfs/dbraw/zinc/12/10/81/244121081.db2.gz AJDKHOTZTKVGDN-SFHVURJKSA-N 0 0 325.412 2.269 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257202675 244123403 /nfs/dbraw/zinc/12/34/03/244123403.db2.gz AMVWAOYWIZIPCY-HNNXBMFYSA-N 0 0 348.406 2.356 40 0 EEABRN CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(OC)cc1OC ZINC000257211570 244152887 /nfs/dbraw/zinc/15/28/87/244152887.db2.gz BZJWGJNKGBWLSI-QAPCUYQASA-N 0 0 348.443 2.482 40 0 EEABRN COCC(=O)N1CCO[C@@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257213733 244159351 /nfs/dbraw/zinc/15/93/51/244159351.db2.gz CIWSFDJJSNQUKE-CYBMUJFWSA-N 0 0 348.428 2.136 40 0 EEABRN O=S(=O)(NCC[C@H](O)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077108124 216839550 /nfs/dbraw/zinc/83/95/50/216839550.db2.gz WNYSCQLRNOZOEI-LBPRGKRZSA-N 0 0 339.335 2.025 40 0 EEABRN CN(CC(=O)N1CCN(C)[C@@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229947 244211628 /nfs/dbraw/zinc/21/16/28/244211628.db2.gz GACNECHNCLHQCL-LJQANCHMSA-N 0 0 338.455 2.029 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(C)n1 ZINC000257231291 244213267 /nfs/dbraw/zinc/21/32/67/244213267.db2.gz GGAYRNDIAAAPGQ-LKCYJCQHSA-N 0 0 327.428 2.394 40 0 EEABRN Cc1ccc2nc(C(=O)N3CCC[C@H]3c3cc(N)nc(C)n3)cn2c1 ZINC000257243194 244251736 /nfs/dbraw/zinc/25/17/36/244251736.db2.gz IFVZFLVORPHFPW-HNNXBMFYSA-N 0 0 336.399 2.301 40 0 EEABRN CN(C)C(=O)CN1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 ZINC000257244636 244253389 /nfs/dbraw/zinc/25/33/89/244253389.db2.gz IMEHQVKPRQDWMY-CYBMUJFWSA-N 0 0 346.460 2.292 40 0 EEABRN Cn1cncc1-c1nccnc1CC1CCN(c2ccncn2)CC1 ZINC000257233382 244219588 /nfs/dbraw/zinc/21/95/88/244219588.db2.gz GPBLQJOAKNQJJO-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN Cc1nccc([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257236146 244228555 /nfs/dbraw/zinc/22/85/55/244228555.db2.gz HAZFJHXWCKIWRS-INIZCTEOSA-N 0 0 348.410 2.386 40 0 EEABRN CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2C(=O)COC)n1 ZINC000257237779 244231585 /nfs/dbraw/zinc/23/15/85/244231585.db2.gz HIDXASLQQQMHBI-INIZCTEOSA-N 0 0 343.431 2.368 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257241845 244245530 /nfs/dbraw/zinc/24/55/30/244245530.db2.gz HZWDWICPEZSCJJ-QGZVFWFLSA-N 0 0 329.375 2.457 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc3nc(C)cc(C)n3n2)C1 ZINC000257249354 244266304 /nfs/dbraw/zinc/26/63/04/244266304.db2.gz JHWGQPZBFDXLOT-CQSZACIVSA-N 0 0 338.415 2.397 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc(C)n1 ZINC000257256575 244284504 /nfs/dbraw/zinc/28/45/04/244284504.db2.gz KMBBGDDZBDYMDW-OAHLLOKOSA-N 0 0 328.420 2.073 40 0 EEABRN COc1ccccc1CN(C)C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000020039055 212096225 /nfs/dbraw/zinc/09/62/25/212096225.db2.gz QYZADUVWEKRVAC-UHFFFAOYSA-N 0 0 348.424 2.339 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257277500 244398844 /nfs/dbraw/zinc/39/88/44/244398844.db2.gz NYFHDMLVBWCBAI-HNNXBMFYSA-N 0 0 338.415 2.259 40 0 EEABRN CN(C(=O)c1ccncn1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257278090 244399223 /nfs/dbraw/zinc/39/92/23/244399223.db2.gz OATJTGQPFVZDAE-KZNAEPCWSA-N 0 0 341.411 2.300 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000257277932 244399645 /nfs/dbraw/zinc/39/96/45/244399645.db2.gz OABOBMYSYVFNJR-CQSZACIVSA-N 0 0 346.456 2.162 40 0 EEABRN c1cnc(N2CCC[C@H](c3cncc(Nc4cnccn4)n3)C2)nc1 ZINC000257282313 244409595 /nfs/dbraw/zinc/40/95/95/244409595.db2.gz OTGIMKVPJDUBTE-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)CCc1cc(Cl)no1 ZINC000257289564 244431043 /nfs/dbraw/zinc/43/10/43/244431043.db2.gz PZFNPIRRURAERO-AWEZNQCLSA-N 0 0 349.818 2.442 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000257344938 244582247 /nfs/dbraw/zinc/58/22/47/244582247.db2.gz ZZHXZSVWLVIVRT-NSHDSACASA-N 0 0 334.370 2.379 40 0 EEABRN Cc1ccc2c(cc(C(=O)Nc3cnn(CC(=O)N(C)C)c3)n2C)c1 ZINC000019746281 212059875 /nfs/dbraw/zinc/05/98/75/212059875.db2.gz XSFDKLFVKHTOMT-UHFFFAOYSA-N 0 0 339.399 2.024 40 0 EEABRN Cc1cc(C)cc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 ZINC000077611402 216943413 /nfs/dbraw/zinc/94/34/13/216943413.db2.gz QEUDBBWDUBVCIX-GJZGRUSLSA-N 0 0 338.473 2.063 40 0 EEABRN CCN1CCN([C@H](c2nnnn2C(C)(C)C)c2ccccc2F)CC1 ZINC000019528076 212040114 /nfs/dbraw/zinc/04/01/14/212040114.db2.gz SZIBDYQFHQUWSX-INIZCTEOSA-N 0 0 346.454 2.294 40 0 EEABRN CC(C)[C@@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445655 212028285 /nfs/dbraw/zinc/02/82/85/212028285.db2.gz IPGKUULWCXTQEK-QGZVFWFLSA-N 0 0 349.394 2.354 40 0 EEABRN CC[C@@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000078210569 217030070 /nfs/dbraw/zinc/03/00/70/217030070.db2.gz VABAKPDCJOVRQC-AWEZNQCLSA-N 0 0 349.456 2.450 40 0 EEABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)c2ccn(C)n2)on1 ZINC000019121532 212001089 /nfs/dbraw/zinc/00/10/89/212001089.db2.gz PDJCZNHNQYSQAZ-CQSZACIVSA-N 0 0 340.387 2.094 40 0 EEABRN COc1ccsc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000078556970 217076983 /nfs/dbraw/zinc/07/69/83/217076983.db2.gz DINPWDARGVZQCC-RYUDHWBXSA-N 0 0 326.462 2.374 40 0 EEABRN CCOC(=O)NCCNC(=O)N(C)[C@H](C)c1sc(C)nc1C ZINC000078605097 217086018 /nfs/dbraw/zinc/08/60/18/217086018.db2.gz ZEUOUERYRGQKDO-SNVBAGLBSA-N 0 0 328.438 2.208 40 0 EEABRN CC(C)(C)C1CCC(O)(CNC(=O)COC[C@H]2CCCO2)CC1 ZINC000078646914 217094512 /nfs/dbraw/zinc/09/45/12/217094512.db2.gz MFVPBEKBRYVNLX-SWKXRBFHSA-N 0 0 327.465 2.266 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000135495780 223582388 /nfs/dbraw/zinc/58/23/88/223582388.db2.gz TUZJEMULLWGUGI-DOTOQJQBSA-N 0 0 332.444 2.191 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000078777160 217119574 /nfs/dbraw/zinc/11/95/74/217119574.db2.gz HHHFYPJHQIOTAK-NEPJUHHUSA-N 0 0 332.429 2.098 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000078926146 217149520 /nfs/dbraw/zinc/14/95/20/217149520.db2.gz GBTOBKUQTGYPOV-GXTWGEPZSA-N 0 0 334.420 2.451 40 0 EEABRN COCCN(Cc1ccc(NS(C)(=O)=O)cc1)CC(F)(F)F ZINC000079027973 217176655 /nfs/dbraw/zinc/17/66/55/217176655.db2.gz RMZRSUWJQZMUBH-UHFFFAOYSA-N 0 0 340.367 2.069 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079000070 217171491 /nfs/dbraw/zinc/17/14/91/217171491.db2.gz OVJGCMQQMJFEFF-BPUTZDHNSA-N 0 0 346.475 2.335 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)CN3CCCCCC3=O)c2c1 ZINC000079051199 217183383 /nfs/dbraw/zinc/18/33/83/217183383.db2.gz MFIMSFHGLBOILG-UHFFFAOYSA-N 0 0 343.427 2.238 40 0 EEABRN CC(=O)N1CSC[C@H]1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000079321197 217208187 /nfs/dbraw/zinc/20/81/87/217208187.db2.gz LLKDGKNLNKNKHG-ZDUSSCGKSA-N 0 0 346.374 2.286 40 0 EEABRN O=C([O-])C[N@H+](C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079391613 217218291 /nfs/dbraw/zinc/21/82/91/217218291.db2.gz QYJYLZILFJUZBE-HNNXBMFYSA-N 0 0 332.400 2.194 40 0 EEABRN O=C(c1cccs1)N1CCC[C@H]1Cn1nnc2ccccc2c1=O ZINC000012182820 211312019 /nfs/dbraw/zinc/31/20/19/211312019.db2.gz UHSZQALSWHAABB-LBPRGKRZSA-N 0 0 340.408 2.158 40 0 EEABRN O=C(CCc1ccccc1)NCCn1nc(-c2cccs2)oc1=O ZINC000012145394 211306042 /nfs/dbraw/zinc/30/60/42/211306042.db2.gz URGFWLKUCBSLAD-UHFFFAOYSA-N 0 0 343.408 2.314 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810003 211007597 /nfs/dbraw/zinc/00/75/97/211007597.db2.gz WGVSTXUHWGVJGS-UHFFFAOYSA-N 0 0 328.752 2.379 40 0 EEABRN CN(CCOC[C@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400855 218335544 /nfs/dbraw/zinc/33/55/44/218335544.db2.gz VDPGWTCXFBHOLG-CYBMUJFWSA-N 0 0 326.824 2.406 40 0 EEABRN C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000095401845 218336082 /nfs/dbraw/zinc/33/60/82/218336082.db2.gz POXFKHBVYDRCRA-ONGXEEELSA-N 0 0 343.221 2.215 40 0 EEABRN NS(=O)(=O)c1ccc(CNc2nc(C(F)(F)F)cs2)cc1 ZINC000095428377 218371233 /nfs/dbraw/zinc/37/12/33/218371233.db2.gz VFDYMRZCRQYWPV-UHFFFAOYSA-N 0 0 337.348 2.421 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)O2)CC1 ZINC000096061190 218554233 /nfs/dbraw/zinc/55/42/33/218554233.db2.gz SOKHODZZIIQPPM-MRXNPFEDSA-N 0 0 346.427 2.268 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096107576 218599704 /nfs/dbraw/zinc/59/97/04/218599704.db2.gz NTAHNUACOVZAOF-GUYCJALGSA-N 0 0 347.346 2.051 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096107761 218600816 /nfs/dbraw/zinc/60/08/16/218600816.db2.gz KEWWXXRTTKFCDX-AEFFLSMTSA-N 0 0 328.368 2.056 40 0 EEABRN CCOc1ccsc1C(=O)N1C[C@H]2OC[C@H](c3nc(C)no3)[C@H]2C1 ZINC000096216839 218691555 /nfs/dbraw/zinc/69/15/55/218691555.db2.gz GUPMQPIMDRQFDP-NTZNESFSSA-N 0 0 349.412 2.093 40 0 EEABRN Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccccc4C)C[C@H]3O2)o1 ZINC000096216319 218690027 /nfs/dbraw/zinc/69/00/27/218690027.db2.gz JBMJRYKEVWRLPO-GVDBMIGSSA-N 0 0 341.411 2.088 40 0 EEABRN O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000096240829 218714086 /nfs/dbraw/zinc/71/40/86/218714086.db2.gz HISKAWOBFGLACM-CQSZACIVSA-N 0 0 348.468 2.143 40 0 EEABRN COCCn1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000096407034 218758212 /nfs/dbraw/zinc/75/82/12/218758212.db2.gz YSJUZBCSWVAFBY-HNNXBMFYSA-N 0 0 343.431 2.320 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NCC(C)(C)Cc2ccccc2)c1C ZINC000096409360 218762270 /nfs/dbraw/zinc/76/22/70/218762270.db2.gz MAWQNWCADXYKDD-UHFFFAOYSA-N 0 0 327.428 2.396 40 0 EEABRN CC[C@](C)(NC(=O)c1nc2nccc(C)n2n1)c1nc(C)cs1 ZINC000096423327 218790614 /nfs/dbraw/zinc/79/06/14/218790614.db2.gz IMMARDOULYOVSR-HNNXBMFYSA-N 0 0 330.417 2.253 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CNc2cc(CO)ccc2Cl)o1 ZINC000096427500 218799530 /nfs/dbraw/zinc/79/95/30/218799530.db2.gz QIHHGBBJJBDHJM-UHFFFAOYSA-N 0 0 344.820 2.288 40 0 EEABRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N[C@H](C)C(C)C ZINC000096430523 218804466 /nfs/dbraw/zinc/80/44/66/218804466.db2.gz NQGMNGUCQHLTMU-CHWSQXEVSA-N 0 0 341.477 2.140 40 0 EEABRN CC(C)Nc1ncccc1C(=O)NCC[S@](=O)c1ccccc1 ZINC000096436470 218815856 /nfs/dbraw/zinc/81/58/56/218815856.db2.gz CUGWFQSZCBQIFI-HSZRJFAPSA-N 0 0 331.441 2.440 40 0 EEABRN CCc1cnc(CNC(=O)NCc2ccnc(-n3cccn3)c2)s1 ZINC000096437758 218818168 /nfs/dbraw/zinc/81/81/68/218818168.db2.gz QNSXOXUVIMBJRD-UHFFFAOYSA-N 0 0 342.428 2.286 40 0 EEABRN CC(C)c1nc(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)cs1 ZINC000096446109 218828827 /nfs/dbraw/zinc/82/88/27/218828827.db2.gz WOYFACFOXBMMSR-LBPRGKRZSA-N 0 0 338.477 2.106 40 0 EEABRN CSc1nc2c(ncn2[C@@H]2C=C[C@H](OC(C)=O)CO2)c(Cl)n1 ZINC000004919451 210324604 /nfs/dbraw/zinc/32/46/04/210324604.db2.gz SIGRORQYHCPAQF-IUCAKERBSA-N 0 0 340.792 2.218 40 0 EEABRN C[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(=O)N1CCCCC1 ZINC000097234377 219002626 /nfs/dbraw/zinc/00/26/26/219002626.db2.gz XMXHMHCCBKVEDZ-ZFWWWQNUSA-N 0 0 333.436 2.047 40 0 EEABRN CCN1C[C@H](c2nc(Cc3csc([C@H](C)OC)n3)no2)CC1=O ZINC000273970637 256342295 /nfs/dbraw/zinc/34/22/95/256342295.db2.gz KFGIWRHGXAKUSW-VHSXEESVSA-N 0 0 336.417 2.160 40 0 EEABRN CCN1C[C@H](c2nc(Cc3csc([C@@H](C)OC)n3)no2)CC1=O ZINC000273969102 256342480 /nfs/dbraw/zinc/34/24/80/256342480.db2.gz KFGIWRHGXAKUSW-NXEZZACHSA-N 0 0 336.417 2.160 40 0 EEABRN COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000072227049 257686319 /nfs/dbraw/zinc/68/63/19/257686319.db2.gz QNFGNEKYGDXYBN-ROUUACIJSA-N 0 0 326.396 2.423 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000009991358 533487773 /nfs/dbraw/zinc/48/77/73/533487773.db2.gz DNBJESLEAXGNNL-UHFFFAOYSA-N 0 0 346.814 2.324 40 0 EEABRN O=C(CSc1nnc2ncccn21)N1CCCc2ccccc21 ZINC000035312379 132389654 /nfs/dbraw/zinc/38/96/54/132389654.db2.gz KUFSVBVHMLTWRY-UHFFFAOYSA-N 0 0 325.397 2.196 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)ccn3)OCC(=O)N2C)cc1 ZINC000096181445 292237987 /nfs/dbraw/zinc/23/79/87/292237987.db2.gz RWXYVRIXEZWFLX-QZTJIDSGSA-N 0 0 339.395 2.235 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241736 287260584 /nfs/dbraw/zinc/26/05/84/287260584.db2.gz KWDCVEQPVISAQQ-DQYPLSBCSA-N 0 0 334.391 2.125 40 0 EEABRN CC(C)CC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096225031 275873694 /nfs/dbraw/zinc/87/36/94/275873694.db2.gz BVFHJODNIIFDTO-GOSISDBHSA-N 0 0 344.415 2.204 40 0 EEABRN CC(=O)N1CCC(C)(c2cc(C(=O)N(C)C3CCC3)nc(C)n2)CC1 ZINC000257222122 276956770 /nfs/dbraw/zinc/95/67/70/276956770.db2.gz DSAFUYCJEISUHV-UHFFFAOYSA-N 0 0 344.459 2.310 40 0 EEABRN CNC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311360 277229727 /nfs/dbraw/zinc/22/97/27/277229727.db2.gz UJBLSQJMXMQCGR-CYBMUJFWSA-N 0 0 344.390 2.333 40 0 EEABRN COC(=O)N1CCN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)CC1 ZINC000016756764 277335368 /nfs/dbraw/zinc/33/53/68/277335368.db2.gz QHXDNICZSJOOTL-UHFFFAOYSA-N 0 0 348.399 2.267 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2cc(C)on2)cc1 ZINC000257224097 277430169 /nfs/dbraw/zinc/43/01/69/277430169.db2.gz FAHMVYUIIYRHLR-GOSISDBHSA-N 0 0 329.400 2.397 40 0 EEABRN CC(C)Nc1nc2c(c(N(C)C)n1)CN(Cc1nccs1)CC2 ZINC000096254033 277666375 /nfs/dbraw/zinc/66/63/75/277666375.db2.gz PVKZYRRSMCYMGW-UHFFFAOYSA-N 0 0 332.477 2.378 40 0 EEABRN CC1(C)CCN(C(=O)N[C@H]2CCCc3occc32)CCS1(=O)=O ZINC000193465967 278253786 /nfs/dbraw/zinc/25/37/86/278253786.db2.gz HTDQPDBXTVZVHY-ZDUSSCGKSA-N 0 0 340.445 2.266 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096047738 280223877 /nfs/dbraw/zinc/22/38/77/280223877.db2.gz UMLJESAFIYRRNF-CJNGLKHVSA-N 0 0 330.413 2.024 40 0 EEABRN NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O ZINC000000001199 295287534 /nfs/dbraw/zinc/28/75/34/295287534.db2.gz VPMWFZKOWULPGT-UHFFFAOYSA-N 0 0 328.821 2.276 40 0 in-man EEABRN Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000155502428 302250272 /nfs/dbraw/zinc/25/02/72/302250272.db2.gz MDRKHBVGNVDPRA-UONOGXRCSA-N 0 0 345.399 2.407 40 0 EEABRN O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004301496 303815557 /nfs/dbraw/zinc/81/55/57/303815557.db2.gz NOZQPOBODIBCFC-LIQAKDLISA-N 0 0 340.423 2.041 40 0 EEABRN C[C@@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)S(=O)(=O)C1 ZINC000333926841 312215064 /nfs/dbraw/zinc/21/50/64/312215064.db2.gz VVPLIYHQSGKDBR-CQSZACIVSA-N 0 0 336.457 2.094 40 0 EEABRN COc1cc(C(=O)N[C@@]2(CO)COc3ccccc3C2)ccc1C ZINC000529819145 317646862 /nfs/dbraw/zinc/64/68/62/317646862.db2.gz HKFVBYBLZCYRKX-IBGZPJMESA-N 0 0 327.380 2.100 40 0 EEABRN CN(C)c1nccc(CNc2ccccc2N2CCC(O)CC2)n1 ZINC000097104182 323321166 /nfs/dbraw/zinc/32/11/66/323321166.db2.gz VTIQUXXZZAYKHV-UHFFFAOYSA-N 0 0 327.432 2.116 40 0 EEABRN CC(C)c1nccn1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000097236209 323321385 /nfs/dbraw/zinc/32/13/85/323321385.db2.gz VHTWGWFNOSDVTH-UHFFFAOYSA-N 0 0 332.473 2.412 40 0 EEABRN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccccc1-n1ccnn1 ZINC000097372597 323322323 /nfs/dbraw/zinc/32/23/23/323322323.db2.gz OLZJWJNQHLUKAT-RHSMWYFYSA-N 0 0 328.416 2.328 40 0 EEABRN COc1ccc(CN2C(=O)N[C@@](C)(c3cc(F)cc(F)c3)C2=O)cn1 ZINC000155695535 323332702 /nfs/dbraw/zinc/33/27/02/323332702.db2.gz BVPLQYPNCJCCBW-KRWDZBQOSA-N 0 0 347.321 2.336 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N(C)[C@@H](C)C[S@](C)=O)n1 ZINC000162767674 323334536 /nfs/dbraw/zinc/33/45/36/323334536.db2.gz NFVPXZJSQSXGOM-ZAMGYDSWSA-N 0 0 334.445 2.411 40 0 EEABRN CCOc1cccc(N2CCN(C(=O)CC[C@@H]3CC[C@@H](C)O3)CC2)n1 ZINC000173168752 464202093 /nfs/dbraw/zinc/20/20/93/464202093.db2.gz LNMAGOYRSQPEGA-CVEARBPZSA-N 0 0 347.459 2.477 40 0 EEABRN CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)C(C)=Nc2nnnn21 ZINC000000150999 462544179 /nfs/dbraw/zinc/54/41/79/462544179.db2.gz LECYLOAIJISAKY-HNNXBMFYSA-N 0 0 343.387 2.312 40 0 EEABRN O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCCCC1)n1ccccc1=O ZINC000000819356 462575487 /nfs/dbraw/zinc/57/54/87/462575487.db2.gz XCDZZUKIZJTHMU-KRWDZBQOSA-N 0 0 342.370 2.424 40 0 EEABRN COC[C@@](C)(O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1F ZINC000086585091 462579588 /nfs/dbraw/zinc/57/95/88/462579588.db2.gz AZYRGJVOMRYTOA-LKFCYVNXSA-N 0 0 348.212 2.033 40 0 EEABRN CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc21 ZINC000001366877 462579884 /nfs/dbraw/zinc/57/98/84/462579884.db2.gz MGQHZWXTPQZHPP-UHFFFAOYSA-N 0 0 327.413 2.270 40 0 EEABRN COc1cc(C(=S)NCCc2ccccc2)ccc1OCC(N)=O ZINC000001443847 462582683 /nfs/dbraw/zinc/58/26/83/462582683.db2.gz XJMOOYLCFFHKTJ-UHFFFAOYSA-N 0 0 344.436 2.067 40 0 EEABRN O=C(CC[C@@H]1CCCO1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088236461 462618075 /nfs/dbraw/zinc/61/80/75/462618075.db2.gz PGLALKLYWNKGTJ-SMDDNHRTSA-N 0 0 338.354 2.146 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000113966599 462618359 /nfs/dbraw/zinc/61/83/59/462618359.db2.gz ZXTRMMDHGSWIGL-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1ccn2ccnc2c1 ZINC000089332392 462667356 /nfs/dbraw/zinc/66/73/56/462667356.db2.gz UJCOSNPHAVMMMZ-CQSZACIVSA-N 0 0 347.321 2.399 40 0 EEABRN O=C(Nc1cccc(-n2cnnc2)c1)c1ccc(-n2ccnn2)cc1 ZINC000089708657 462711152 /nfs/dbraw/zinc/71/11/52/462711152.db2.gz GFKGCDVYDLDCBZ-UHFFFAOYSA-N 0 0 331.339 2.100 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000007593340 462741065 /nfs/dbraw/zinc/74/10/65/462741065.db2.gz WXBWNTNTOGPLQU-CEOOQMFFSA-N 0 0 347.465 2.121 40 0 EEABRN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008206485 462773345 /nfs/dbraw/zinc/77/33/45/462773345.db2.gz DAUDLMVSUTUZKK-UHFFFAOYSA-N 0 0 336.388 2.393 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2)S(C)(=O)=O)cc1 ZINC000008317456 462778621 /nfs/dbraw/zinc/77/86/21/462778621.db2.gz KMONVVREXIVNSR-HNNXBMFYSA-N 0 0 346.452 2.466 40 0 EEABRN CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000008475938 462784558 /nfs/dbraw/zinc/78/45/58/462784558.db2.gz AHJWHEOHGXDETD-UHFFFAOYSA-N 0 0 342.461 2.302 40 0 EEABRN Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 ZINC000008473935 462784602 /nfs/dbraw/zinc/78/46/02/462784602.db2.gz OOUAKMCUQIVRBA-LBPRGKRZSA-N 0 0 330.413 2.455 40 0 EEABRN Cc1cccc(-n2nc(C(=O)NCCO)nc2-c2ccc(F)cc2)c1 ZINC000008476927 462785313 /nfs/dbraw/zinc/78/53/13/462785313.db2.gz GFNWFYORAPUJSD-UHFFFAOYSA-N 0 0 340.358 2.104 40 0 EEABRN O=C1C=C(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccccc1 ZINC000008559825 462788070 /nfs/dbraw/zinc/78/80/70/462788070.db2.gz JESYWCNPBZBKMR-UHFFFAOYSA-N 0 0 349.375 2.212 40 0 EEABRN CNc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2 ZINC000010157631 462812974 /nfs/dbraw/zinc/81/29/74/462812974.db2.gz QXZDAXLCVHHVOA-UHFFFAOYSA-N 0 0 337.427 2.364 40 0 EEABRN O=S(=O)(c1ccc(S[C@H]2C=CCCC2)nc1)N1CCOCC1 ZINC000076609861 462885449 /nfs/dbraw/zinc/88/54/49/462885449.db2.gz OMYONZCOVBHOLL-ZDUSSCGKSA-N 0 0 340.470 2.303 40 0 EEABRN O=C1NC[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O1 ZINC000077263596 462961341 /nfs/dbraw/zinc/96/13/41/462961341.db2.gz NNNUCPNDTKREQW-BHYGNILZSA-N 0 0 344.367 2.452 40 0 biogenic,in-vitro EEABRN CC(C)Cc1nc2c([nH]c(=O)n2-c2ccc(Cl)cc2)c(C(N)=O)n1 ZINC000015778612 462962015 /nfs/dbraw/zinc/96/20/15/462962015.db2.gz KPOGUJSMNOCTNM-UHFFFAOYSA-N 0 0 345.790 2.060 40 0 EEABRN COCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(C)=O ZINC000019017498 463013118 /nfs/dbraw/zinc/01/31/18/463013118.db2.gz GCIFUYLTOIXGAV-NSHGMRRFSA-N 0 0 344.455 2.419 40 0 EEABRN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(C(=O)C2CCC2)C1 ZINC000019696033 463021308 /nfs/dbraw/zinc/02/13/08/463021308.db2.gz SWIUQHNVYFPWDM-SFHVURJKSA-N 0 0 333.432 2.105 40 0 EEABRN CCOc1ccc(N(CC(=O)NC)S(=O)(=O)c2ccccc2)cc1 ZINC000022274421 463048075 /nfs/dbraw/zinc/04/80/75/463048075.db2.gz DUKBYSFDANRHOP-UHFFFAOYSA-N 0 0 348.424 2.027 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)c2ccco2)c(N2CCOCC2)c1 ZINC000022636642 463052721 /nfs/dbraw/zinc/05/27/21/463052721.db2.gz KOIPNJZIXROWBR-UHFFFAOYSA-N 0 0 329.356 2.327 40 0 EEABRN CCOC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096039379 463143694 /nfs/dbraw/zinc/14/36/94/463143694.db2.gz AVCIAQVXNXAGOR-IAGOWNOFSA-N 0 0 339.457 2.283 40 0 EEABRN O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 ZINC000096041275 463146571 /nfs/dbraw/zinc/14/65/71/463146571.db2.gz NCNRSEXDSXUFLO-NWANDNLSSA-N 0 0 347.440 2.032 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041683 463146643 /nfs/dbraw/zinc/14/66/43/463146643.db2.gz YKTMCMKJVADHAI-RCCFBDPRSA-N 0 0 329.400 2.497 40 0 EEABRN CC(=O)N1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC000096045429 463148664 /nfs/dbraw/zinc/14/86/64/463148664.db2.gz DZULFXHTSBTUBS-GOSISDBHSA-N 0 0 340.427 2.351 40 0 EEABRN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccsc4)C[C@@H]32)n1 ZINC000096043457 463148955 /nfs/dbraw/zinc/14/89/55/463148955.db2.gz CRMSMQAQHBUQPO-RBSFLKMASA-N 0 0 347.440 2.403 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccs1 ZINC000096045368 463149057 /nfs/dbraw/zinc/14/90/57/463149057.db2.gz RXVVRMREKODTTH-CYBMUJFWSA-N 0 0 332.429 2.136 40 0 EEABRN Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1cscn1)C2 ZINC000096044915 463149118 /nfs/dbraw/zinc/14/91/18/463149118.db2.gz UCIWDQBZSDYZGX-GFCCVEGCSA-N 0 0 332.429 2.043 40 0 EEABRN O=C(c1ccco1)N1CC[C@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096047054 463150371 /nfs/dbraw/zinc/15/03/71/463150371.db2.gz LNZFVWMADWYVKS-LJQANCHMSA-N 0 0 339.395 2.443 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096048299 463152264 /nfs/dbraw/zinc/15/22/64/463152264.db2.gz KRILEVZBEQLPKO-HKUYNNGSSA-N 0 0 346.427 2.037 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096049122 463153542 /nfs/dbraw/zinc/15/35/42/463153542.db2.gz XCHGFUBCKIEMRN-IBGZPJMESA-N 0 0 341.411 2.182 40 0 EEABRN Cc1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)no1 ZINC000096069528 463165607 /nfs/dbraw/zinc/16/56/07/463165607.db2.gz GLDUKRISXAYTHL-OAHLLOKOSA-N 0 0 339.395 2.262 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@]2(C1)COCCN(c1ccccc1)C2 ZINC000096076752 463169345 /nfs/dbraw/zinc/16/93/45/463169345.db2.gz WNPCJGGDQHDNQB-IBGZPJMESA-N 0 0 340.427 2.169 40 0 EEABRN Cc1noc([C@H]2CCC3(CCN(C(=O)c4cscn4)CC3)O2)n1 ZINC000096109941 463178151 /nfs/dbraw/zinc/17/81/51/463178151.db2.gz RPLIZOMDYKLMNL-GFCCVEGCSA-N 0 0 334.401 2.361 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cocn3)CC[C@H]2OC)cc1 ZINC000096110282 463178682 /nfs/dbraw/zinc/17/86/82/463178682.db2.gz JQJFQKGXRGKRDL-WMLDXEAASA-N 0 0 330.384 2.403 40 0 EEABRN C[C@H]1c2ncc(COc3cccnc3)n2CCN1c1ncc(F)cn1 ZINC000096109829 463178944 /nfs/dbraw/zinc/17/89/44/463178944.db2.gz LJLDQRORMHFODL-LBPRGKRZSA-N 0 0 340.362 2.367 40 0 EEABRN O=C(NCCc1ccccc1)Nc1nc2c(s1)C(=O)NCCC2 ZINC000096124413 463183227 /nfs/dbraw/zinc/18/32/27/463183227.db2.gz LMGLCNZEEUFCDX-UHFFFAOYSA-N 0 0 330.413 2.183 40 0 EEABRN CC1(C)CC(=O)N(CCCC(=O)N2CCOCC2)c2ccccc21 ZINC000096183628 463195398 /nfs/dbraw/zinc/19/53/98/463195398.db2.gz BYDLZRHREIHUOZ-UHFFFAOYSA-N 0 0 330.428 2.340 40 0 EEABRN COc1cc(=O)n(CC(=O)NC(C)C)nc1-c1ccc(Cl)cc1 ZINC000096184173 463196231 /nfs/dbraw/zinc/19/62/31/463196231.db2.gz BDDUYVSPFGOVHU-UHFFFAOYSA-N 0 0 335.791 2.097 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1 ZINC000096186280 463197429 /nfs/dbraw/zinc/19/74/29/463197429.db2.gz NOPHXMIYVDZZHJ-ROUUACIJSA-N 0 0 342.439 2.240 40 0 EEABRN COc1ncccc1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187183 463198822 /nfs/dbraw/zinc/19/88/22/463198822.db2.gz KQUJIWTZFAGBDD-RYRKJORJSA-N 0 0 341.411 2.296 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccoc2)n1 ZINC000096186532 463198899 /nfs/dbraw/zinc/19/88/99/463198899.db2.gz CHVNXFROJUNMCP-IAGOWNOFSA-N 0 0 339.395 2.389 40 0 EEABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200023 463205720 /nfs/dbraw/zinc/20/57/20/463205720.db2.gz VQOMBXXCDFBODP-DLBZAZTESA-N 0 0 335.400 2.192 40 0 EEABRN CC[C@@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(C)cc3OC)CC[C@H]21 ZINC000096207690 463209613 /nfs/dbraw/zinc/20/96/13/463209613.db2.gz GJBRWCCKTGTYAT-KFWWJZLASA-N 0 0 339.457 2.439 40 0 EEABRN CN(C)C(=O)N1CCC2(CO[C@H](COCc3ccccn3)C2)CC1 ZINC000096209490 463213617 /nfs/dbraw/zinc/21/36/17/463213617.db2.gz DIZZRLJYYUUQPL-INIZCTEOSA-N 0 0 333.432 2.151 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(c2ncccn2)C3)cn1 ZINC000096216871 463214780 /nfs/dbraw/zinc/21/47/80/463214780.db2.gz NWOGHLXEIXSORC-IBGZPJMESA-N 0 0 337.427 2.313 40 0 EEABRN Cc1ccc(CN2CC[C@]3(CC(C(=O)NCc4ccco4)=NO3)C2)o1 ZINC000096225840 463220388 /nfs/dbraw/zinc/22/03/88/463220388.db2.gz INUFPEAHKKJNSB-SFHVURJKSA-N 0 0 343.383 2.218 40 0 EEABRN CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226423 463220581 /nfs/dbraw/zinc/22/05/81/463220581.db2.gz QJIHNRAEOWNAPG-QGZVFWFLSA-N 0 0 336.411 2.010 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227574 463221981 /nfs/dbraw/zinc/22/19/81/463221981.db2.gz HNBODMXUCBZOLL-QFBILLFUSA-N 0 0 327.428 2.127 40 0 EEABRN O=C1CCC2(CCN(S(=O)(=O)C3CC3)CC2)N1Cc1ccccc1 ZINC000096228243 463222396 /nfs/dbraw/zinc/22/23/96/463222396.db2.gz MDTLUAHYTCPKKL-UHFFFAOYSA-N 0 0 348.468 2.136 40 0 EEABRN CCc1ccc(NC(=O)N2C[C@H]3C[C@H](C(=O)NC(C)C)[C@@H](C2)O3)cc1 ZINC000096252884 463228243 /nfs/dbraw/zinc/22/82/43/463228243.db2.gz LUINNPOWWBZICB-IXDOHACOSA-N 0 0 345.443 2.395 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)C(=O)N1C ZINC000096261405 463231578 /nfs/dbraw/zinc/23/15/78/463231578.db2.gz STUBPKJWBXYZDH-QIIPPGSGSA-N 0 0 326.400 2.190 40 0 EEABRN O=C([C@H]1CCOc2ccccc21)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000096403815 463238144 /nfs/dbraw/zinc/23/81/44/463238144.db2.gz FEWHOMJJJXGYMB-FUHWJXTLSA-N 0 0 336.391 2.252 40 0 EEABRN Cn1cc([C@H]2NC(=O)CN2Cc2ccccc2)c(-c2cccnc2)n1 ZINC000096405738 463239006 /nfs/dbraw/zinc/23/90/06/463239006.db2.gz KGLUQZHPLJRKMV-IBGZPJMESA-N 0 0 333.395 2.113 40 0 EEABRN CC(C)(CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(N)=O ZINC000096408649 463241094 /nfs/dbraw/zinc/24/10/94/463241094.db2.gz CPDNHLGLDLKLNM-UHFFFAOYSA-N 0 0 339.321 2.481 40 0 EEABRN Cc1cnn(CC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000096412615 463244636 /nfs/dbraw/zinc/24/46/36/463244636.db2.gz FKMHLPOCPLGWIF-GOSISDBHSA-N 0 0 331.391 2.303 40 0 EEABRN O=C(Nc1ccccc1)c1ccc(N2CCC[C@@H](n3cncn3)C2)nn1 ZINC000096413732 463245753 /nfs/dbraw/zinc/24/57/53/463245753.db2.gz OUQGVYIHIYVMFT-OAHLLOKOSA-N 0 0 349.398 2.162 40 0 EEABRN O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000096414066 463247041 /nfs/dbraw/zinc/24/70/41/463247041.db2.gz PRCUNLZSBMVZDB-JTQLQIEISA-N 0 0 326.274 2.326 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000096414497 463247455 /nfs/dbraw/zinc/24/74/55/463247455.db2.gz XAXSKSWPFLVIID-MSOLQXFVSA-N 0 0 344.455 2.153 40 0 EEABRN O=C(NN1CCOCC1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096421656 463253177 /nfs/dbraw/zinc/25/31/77/463253177.db2.gz WQKWCSQDUKFUNS-NWDGAFQWSA-N 0 0 330.306 2.052 40 0 EEABRN CNC(=O)c1cccc(CN2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424275 463254503 /nfs/dbraw/zinc/25/45/03/463254503.db2.gz PXDGRRIDBRUVSU-MRXNPFEDSA-N 0 0 338.455 2.320 40 0 EEABRN CCCc1nc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)no1 ZINC000096427484 463257136 /nfs/dbraw/zinc/25/71/36/463257136.db2.gz CZTHPVOGAISHED-HNNXBMFYSA-N 0 0 344.415 2.231 40 0 EEABRN CNC(=O)[C@@H]1CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000096429463 463259392 /nfs/dbraw/zinc/25/93/92/463259392.db2.gz XTGTUVUINNLJOT-OAHLLOKOSA-N 0 0 325.416 2.118 40 0 EEABRN Cn1cc(N2CC[C@@H](Nc3ncnc4cc(F)c(F)cc43)C2)cn1 ZINC000096429527 463259397 /nfs/dbraw/zinc/25/93/97/463259397.db2.gz YRQSKJMLWVXKIA-SNVBAGLBSA-N 0 0 330.342 2.332 40 0 EEABRN Cc1noc2ncc(NC(=O)[C@H](C)n3nnc(-c4ccccc4)n3)cc12 ZINC000096430835 463259818 /nfs/dbraw/zinc/25/98/18/463259818.db2.gz VCNORAHJDZTDGU-NSHDSACASA-N 0 0 349.354 2.384 40 0 EEABRN Cc1ccc(O[C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 ZINC000096431394 463260192 /nfs/dbraw/zinc/26/01/92/463260192.db2.gz QOXYMRWKPDTGIL-UONOGXRCSA-N 0 0 330.384 2.290 40 0 EEABRN C[C@H]1CCN(S(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 ZINC000096433536 463262174 /nfs/dbraw/zinc/26/21/74/463262174.db2.gz HDHPTUMTZOKIFV-INIZCTEOSA-N 0 0 345.468 2.367 40 0 EEABRN Cc1cnc(CCNC(=O)Nc2ccccc2CC(=O)N(C)C)s1 ZINC000096434284 463262424 /nfs/dbraw/zinc/26/24/24/463262424.db2.gz KUSTWJWILAVUCG-UHFFFAOYSA-N 0 0 346.456 2.446 40 0 EEABRN Cc1nc(C)n(-c2ccc(C(=O)OCCCn3cccn3)cc2)n1 ZINC000096442044 463267216 /nfs/dbraw/zinc/26/72/16/463267216.db2.gz ILKAYGSOKUNRLX-UHFFFAOYSA-N 0 0 325.372 2.328 40 0 EEABRN Cc1nnc([C@@H](NS(=O)(=O)c2cnc(Cl)c(C)c2)C(C)C)[nH]1 ZINC000096444897 463270026 /nfs/dbraw/zinc/27/00/26/463270026.db2.gz ODQBZMKRWJZPLE-NSHDSACASA-N 0 0 343.840 2.146 40 0 EEABRN C[C@@H](NC(=O)c1cnn(C)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096449241 463272350 /nfs/dbraw/zinc/27/23/50/463272350.db2.gz IUHAACBEIPYWSS-GFCCVEGCSA-N 0 0 346.406 2.011 40 0 EEABRN CN(CC(F)(F)F)C(=O)CS(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000096451870 463273153 /nfs/dbraw/zinc/27/31/53/463273153.db2.gz XNYBBCCXIYRZSO-ZDUSSCGKSA-N 0 0 349.374 2.500 40 0 EEABRN CC(C)c1nc2ccc(NCc3cc(=O)n(C)c(=O)n3C)cc2s1 ZINC000096453437 463274338 /nfs/dbraw/zinc/27/43/38/463274338.db2.gz XZXZDEKADLEPJF-UHFFFAOYSA-N 0 0 344.440 2.429 40 0 EEABRN C[C@H](c1ccccc1Cl)N1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000096455760 463275181 /nfs/dbraw/zinc/27/51/81/463275181.db2.gz QCBCHZUFPUZUGZ-GFCCVEGCSA-N 0 0 345.834 2.112 40 0 EEABRN O=C(CCCn1ccnc1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096456008 463275489 /nfs/dbraw/zinc/27/54/89/463275489.db2.gz YDZUPCXSQVVWJM-OAHLLOKOSA-N 0 0 346.818 2.238 40 0 EEABRN C[C@H](N1CCN(C(=O)NCCc2cccc(O)c2)CC1)C(F)(F)F ZINC000096455057 463275548 /nfs/dbraw/zinc/27/55/48/463275548.db2.gz CVDCBCIZYNDDNF-LBPRGKRZSA-N 0 0 345.365 2.213 40 0 EEABRN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CC[C@H](O)C1 ZINC000097102635 463323498 /nfs/dbraw/zinc/32/34/98/463323498.db2.gz VRMZZEDRFQNWRE-NSHDSACASA-N 0 0 338.770 2.322 40 0 EEABRN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000097104481 463325329 /nfs/dbraw/zinc/32/53/29/463325329.db2.gz LMHWEISDEBSTLW-RISCZKNCSA-N 0 0 338.454 2.407 40 0 EEABRN O[C@@]1(c2nc(-c3ccc(N4CCCCC4)nc3)no2)CCSC1 ZINC000097103469 463325396 /nfs/dbraw/zinc/32/53/96/463325396.db2.gz CNTZYIWYUJDINL-INIZCTEOSA-N 0 0 332.429 2.446 40 0 EEABRN O=S(=O)(c1cccc(Cl)c1)N1CC(c2nc(C3CC3)no2)C1 ZINC000070637073 463377385 /nfs/dbraw/zinc/37/73/85/463377385.db2.gz MRANXSIBBJOASC-UHFFFAOYSA-N 0 0 339.804 2.389 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCc2c(C)nn(CC)c2C)CC1 ZINC000071195408 463411212 /nfs/dbraw/zinc/41/12/12/463411212.db2.gz BLPUWEIJYMCXJU-UHFFFAOYSA-N 0 0 335.448 2.254 40 0 EEABRN CCOCc1cccc(S(=O)(=O)NCc2c(C)nn(C)c2C)c1 ZINC000071195459 463411229 /nfs/dbraw/zinc/41/12/29/463411229.db2.gz RMYCDRCIHCQMJC-UHFFFAOYSA-N 0 0 337.445 2.052 40 0 EEABRN COC(=O)c1[nH]c(SC)c(S(=O)(=O)c2ccc(F)cc2)c1N ZINC000057519823 463497888 /nfs/dbraw/zinc/49/78/88/463497888.db2.gz MDPNJLPNYTVCFJ-UHFFFAOYSA-N 0 0 344.389 2.077 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cn1 ZINC000107207667 463561296 /nfs/dbraw/zinc/56/12/96/463561296.db2.gz WMSVNQLWPDFPLG-RYRKJORJSA-N 0 0 339.395 2.236 40 0 EEABRN Clc1ccc2nc(CN3CCN(c4cnccn4)CC3)cn2c1 ZINC000042633065 463581851 /nfs/dbraw/zinc/58/18/51/463581851.db2.gz AKSSAKQAKXAARE-UHFFFAOYSA-N 0 0 328.807 2.100 40 0 EEABRN C[C@@H](C(=O)N1CCCCCC1)N1CCN(c2ncccc2F)CC1 ZINC000084486259 463606036 /nfs/dbraw/zinc/60/60/36/463606036.db2.gz XLCQXLSCOKVHFI-HNNXBMFYSA-N 0 0 334.439 2.134 40 0 EEABRN COc1cccc(CC(=O)N2CCN(c3ncccc3F)CC2)c1 ZINC000084484977 463606468 /nfs/dbraw/zinc/60/64/68/463606468.db2.gz RQKPMSUKROKJBE-UHFFFAOYSA-N 0 0 329.375 2.121 40 0 EEABRN O=C1CCCN1C[C@H](O)CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496637 463606902 /nfs/dbraw/zinc/60/69/02/463606902.db2.gz ZHVOVMMMASOBTD-CYBMUJFWSA-N 0 0 343.254 2.335 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108525672 463609855 /nfs/dbraw/zinc/60/98/55/463609855.db2.gz AYTBJDOXGCSYCJ-NVXWUHKLSA-N 0 0 348.487 2.300 40 0 EEABRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000043271371 463631350 /nfs/dbraw/zinc/63/13/50/463631350.db2.gz HXAYSOXJYXDTCF-HNNXBMFYSA-N 0 0 340.383 2.199 40 0 EEABRN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)Nc1cccnc1 ZINC000084853593 463635275 /nfs/dbraw/zinc/63/52/75/463635275.db2.gz QQJRXHGHVRIMFQ-UHFFFAOYSA-N 0 0 330.310 2.004 40 0 EEABRN C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C)Cc1cccc(F)c1 ZINC000073891333 463666280 /nfs/dbraw/zinc/66/62/80/463666280.db2.gz ZVILMXKGFLRFCN-CHWSQXEVSA-N 0 0 327.421 2.040 40 0 EEABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(N)=O)s2)cn1 ZINC000257202540 463756428 /nfs/dbraw/zinc/75/64/28/463756428.db2.gz AMGZCKSGYISXAY-GFCCVEGCSA-N 0 0 330.413 2.313 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257278417 463758456 /nfs/dbraw/zinc/75/84/56/463758456.db2.gz OCEOCCOMLZXSJV-KRWDZBQOSA-N 0 0 339.395 2.340 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3ccc(OC)c(F)c3)CCO2)n1 ZINC000257281899 463759859 /nfs/dbraw/zinc/75/98/59/463759859.db2.gz ORKBVSWIEAXPAE-INIZCTEOSA-N 0 0 345.374 2.485 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H](c3nc(C)cn3C)C2)n1 ZINC000257285146 463761143 /nfs/dbraw/zinc/76/11/43/463761143.db2.gz PFWBSZYQWKVQFO-ZDUSSCGKSA-N 0 0 331.420 2.013 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257292731 463765051 /nfs/dbraw/zinc/76/50/51/463765051.db2.gz QMSMBJBRYYOZET-IEBWSBKVSA-N 0 0 344.411 2.265 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 ZINC000257293091 463765794 /nfs/dbraw/zinc/76/57/94/463765794.db2.gz QOBMKJFOLKGVKH-JOCQHMNTSA-N 0 0 330.388 2.168 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(C(=O)c3cscn3)CCO2)ccn1 ZINC000257300674 463769291 /nfs/dbraw/zinc/76/92/91/463769291.db2.gz RVGUVILCOIZNLY-AWEZNQCLSA-N 0 0 346.456 2.078 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257304568 463770283 /nfs/dbraw/zinc/77/02/83/463770283.db2.gz SMGSCMPUNATTJN-HKUYNNGSSA-N 0 0 348.443 2.212 40 0 EEABRN C[C@@H](Nc1ccc2ncsc2c1)C(=O)NC(=O)NCC(F)(F)F ZINC000194011176 463771784 /nfs/dbraw/zinc/77/17/84/463771784.db2.gz ZDQKNYANQFQOHQ-SSDOTTSWSA-N 0 0 346.334 2.485 40 0 EEABRN CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000257310756 463773556 /nfs/dbraw/zinc/77/35/56/463773556.db2.gz UGKJPTDOCWLANS-SFHVURJKSA-N 0 0 340.431 2.385 40 0 EEABRN Cn1cnc(C(=O)N2CCOC[C@H](Cc3cccc4occc43)C2)c1 ZINC000257311016 463773668 /nfs/dbraw/zinc/77/36/68/463773668.db2.gz UHORKBNFIYDFFB-CQSZACIVSA-N 0 0 339.395 2.498 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)nc(C)n1 ZINC000257312978 463773751 /nfs/dbraw/zinc/77/37/51/463773751.db2.gz UQMHUCNDGVLXQZ-MRXNPFEDSA-N 0 0 342.399 2.174 40 0 EEABRN CNc1cccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316162 463775069 /nfs/dbraw/zinc/77/50/69/463775069.db2.gz VEKGZMRXYUYRGY-SFHVURJKSA-N 0 0 341.411 2.468 40 0 EEABRN Cc1cc2cc(C(=O)N3CCO[C@@H](c4nccnc4N)C3)ccc2o1 ZINC000257320109 463776154 /nfs/dbraw/zinc/77/61/54/463776154.db2.gz VVKSNIMBXIRJEI-OAHLLOKOSA-N 0 0 338.367 2.327 40 0 EEABRN CNC(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)C2)nc(C)n1 ZINC000257319572 463776644 /nfs/dbraw/zinc/77/66/44/463776644.db2.gz VTBQMHMXIPXVJN-ZDUSSCGKSA-N 0 0 345.472 2.056 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)CCCn3ccnc3)CCN2C)cc1 ZINC000257318713 463777007 /nfs/dbraw/zinc/77/70/07/463777007.db2.gz VPBIJKMWKWMYHE-GOSISDBHSA-N 0 0 342.443 2.187 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCO[C@H](c3nccc(C)n3)C2)n1 ZINC000257322801 463777807 /nfs/dbraw/zinc/77/78/07/463777807.db2.gz WHLHPOQGSNLDOV-ZDUSSCGKSA-N 0 0 349.822 2.259 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)c4ccnnc4)CC3)cc(C)n2n1 ZINC000257322405 463778431 /nfs/dbraw/zinc/77/84/31/463778431.db2.gz WFVOCGCPVFDHPV-UHFFFAOYSA-N 0 0 336.399 2.156 40 0 EEABRN CC(C)c1nnsc1C(=O)N1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257332867 463781586 /nfs/dbraw/zinc/78/15/86/463781586.db2.gz XZBSKEQLHFDIPJ-NSHDSACASA-N 0 0 346.460 2.129 40 0 EEABRN CCOc1ccc(CN2CCOC[C@H]2c2nc(C)c[nH]2)cc1CO ZINC000257332055 463781677 /nfs/dbraw/zinc/78/16/77/463781677.db2.gz XVNRBMBFQIWCIK-INIZCTEOSA-N 0 0 331.416 2.183 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2Cc2ccnn2C(C)C)n1 ZINC000257337573 463784329 /nfs/dbraw/zinc/78/43/29/463784329.db2.gz YTJMDLOKILPPTA-GOSISDBHSA-N 0 0 342.447 2.227 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccnc(C)n3)CC2)cn1 ZINC000257339517 463786111 /nfs/dbraw/zinc/78/61/11/463786111.db2.gz ZCBDEFRWIWRHBY-CQSZACIVSA-N 0 0 340.431 2.102 40 0 EEABRN Cc1cccc(C[C@@H](CO)NC(=O)c2snnc2C(C)(C)C)c1 ZINC000194565795 463884670 /nfs/dbraw/zinc/88/46/70/463884670.db2.gz KZGZKMNXZYEVLT-ZDUSSCGKSA-N 0 0 333.457 2.477 40 0 EEABRN Cc1cc(N2CC[C@@H](NC(=O)C(F)F)C2=O)ccc1Br ZINC000194864971 463945911 /nfs/dbraw/zinc/94/59/11/463945911.db2.gz WRCMDPLNWPEQTN-SNVBAGLBSA-N 0 0 347.159 2.244 40 0 EEABRN Cc1cc(S(=O)(=O)CC(=O)N2CCCCC2)nc2ccccc12 ZINC000195074062 463987736 /nfs/dbraw/zinc/98/77/36/463987736.db2.gz DHEHXERGBRATPW-UHFFFAOYSA-N 0 0 332.425 2.329 40 0 EEABRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCCCC1=O ZINC000278959883 464015436 /nfs/dbraw/zinc/01/54/36/464015436.db2.gz PDDOGRKRHSWOME-OAHLLOKOSA-N 0 0 338.835 2.498 40 0 EEABRN CS(=O)(=O)[C@@H](Cc1ccccc1)c1nc(-c2ccccn2)no1 ZINC000195576328 464080508 /nfs/dbraw/zinc/08/05/08/464080508.db2.gz KZAMCOWQSWDOJO-AWEZNQCLSA-N 0 0 329.381 2.460 40 0 EEABRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCn1cncn1 ZINC000187043805 464093158 /nfs/dbraw/zinc/09/31/58/464093158.db2.gz LJRPWXKCWDQAKF-WFASDCNBSA-N 0 0 334.807 2.310 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223638348 464145527 /nfs/dbraw/zinc/14/55/27/464145527.db2.gz VDHQCURANOYBJM-HUUCEWRRSA-N 0 0 331.397 2.210 40 0 EEABRN Cc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c(C)c1 ZINC000224172533 464147978 /nfs/dbraw/zinc/14/79/78/464147978.db2.gz BZGLRACVUSZXBJ-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 ZINC000224171272 464148740 /nfs/dbraw/zinc/14/87/40/464148740.db2.gz QYHWNNDCOGJQDY-UHFFFAOYSA-N 0 0 347.806 2.288 40 0 EEABRN CCOc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000225192001 464154232 /nfs/dbraw/zinc/15/42/32/464154232.db2.gz BCMXYEHDPTVZFB-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN Cc1csc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c1 ZINC000225402620 464156800 /nfs/dbraw/zinc/15/68/00/464156800.db2.gz HXLGZUKZNVSUDG-LBPRGKRZSA-N 0 0 332.429 2.206 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225421712 464158759 /nfs/dbraw/zinc/15/87/59/464158759.db2.gz YCOXPXMPWOXDKT-CQSZACIVSA-N 0 0 330.388 2.002 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000225437680 464160092 /nfs/dbraw/zinc/16/00/92/464160092.db2.gz ZXTGOKVXFBOHSE-INIZCTEOSA-N 0 0 336.407 2.460 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)c(C)o1 ZINC000225445382 464161240 /nfs/dbraw/zinc/16/12/40/464161240.db2.gz QXFQWFFENFOFMN-ZDUSSCGKSA-N 0 0 330.388 2.046 40 0 EEABRN Cc1cc(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)co1 ZINC000225464262 464162471 /nfs/dbraw/zinc/16/24/71/464162471.db2.gz ZJGGYSSXYCSEEE-UHFFFAOYSA-N 0 0 348.424 2.037 40 0 EEABRN CCc1ncc2c(n1)CN(c1ccccc1S(=O)(=O)CC)CC2 ZINC000225518534 464168066 /nfs/dbraw/zinc/16/80/66/464168066.db2.gz JNOVESJKVQDVMV-UHFFFAOYSA-N 0 0 331.441 2.395 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000225580948 464173183 /nfs/dbraw/zinc/17/31/83/464173183.db2.gz KWLCLJXLLYIGQB-KBPBESRZSA-N 0 0 347.459 2.092 40 0 EEABRN CCC1=C(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)CCCO1 ZINC000225629895 464176307 /nfs/dbraw/zinc/17/63/07/464176307.db2.gz HMPASQWJLFMJBW-UHFFFAOYSA-N 0 0 330.432 2.217 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225677020 464179660 /nfs/dbraw/zinc/17/96/60/464179660.db2.gz OGZKCIQAADQBKW-UHFFFAOYSA-N 0 0 334.422 2.425 40 0 EEABRN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180568364 464338588 /nfs/dbraw/zinc/33/85/88/464338588.db2.gz ZWJUEVMPGIARKG-MRVPVSSYSA-N 0 0 327.262 2.450 40 0 EEABRN CC[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccncc1 ZINC000188904656 464392111 /nfs/dbraw/zinc/39/21/11/464392111.db2.gz WEJLWFDXKKJMEQ-ZBFHGGJFSA-N 0 0 334.464 2.019 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC000238830084 464437523 /nfs/dbraw/zinc/43/75/23/464437523.db2.gz FRTZHDXJIVWJBZ-SSDOTTSWSA-N 0 0 332.307 2.483 40 0 EEABRN O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccccc1C(F)(F)F ZINC000238825552 464437796 /nfs/dbraw/zinc/43/77/96/464437796.db2.gz DQUOQGLHPDTVRY-SNVBAGLBSA-N 0 0 337.301 2.076 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCCO2)C1 ZINC000239762480 464444361 /nfs/dbraw/zinc/44/43/61/464444361.db2.gz CLPVEBWGLGAAAX-OAHLLOKOSA-N 0 0 334.391 2.161 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCc1cc(C)nc(N(C)C)n1 ZINC000189941507 464567705 /nfs/dbraw/zinc/56/77/05/464567705.db2.gz SDXYAJMOPJIEMN-UHFFFAOYSA-N 0 0 334.807 2.443 40 0 EEABRN Cc1ccc2c(n1)OCCN2C(=O)CCOCC(F)(F)C(F)F ZINC000190001089 464582761 /nfs/dbraw/zinc/58/27/61/464582761.db2.gz MIKBNXSGNGVDNY-UHFFFAOYSA-N 0 0 336.285 2.423 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCc2cncc(C)c2)n1 ZINC000190340112 464623459 /nfs/dbraw/zinc/62/34/59/464623459.db2.gz MBFWDZLVUADZRB-CQSZACIVSA-N 0 0 332.429 2.438 40 0 EEABRN C[C@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1nnc2ccccn21 ZINC000190631822 464691591 /nfs/dbraw/zinc/69/15/91/464691591.db2.gz MFYAWVFFVZMHDC-SCLBCKFNSA-N 0 0 345.447 2.421 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CC2(C1)C[C@H](OCC1CC1)CCO2 ZINC000247829060 464709105 /nfs/dbraw/zinc/70/91/05/464709105.db2.gz KEXFNLBFJWGSGU-OAHLLOKOSA-N 0 0 345.395 2.216 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@H](OCc1ccccn1)CCO2 ZINC000247850375 464709434 /nfs/dbraw/zinc/70/94/34/464709434.db2.gz INYNYEITPJIOLY-QGZVFWFLSA-N 0 0 339.395 2.067 40 0 EEABRN COc1cccc(CN2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c1 ZINC000247878528 464712071 /nfs/dbraw/zinc/71/20/71/464712071.db2.gz IELWUBAULNVGKX-QGZVFWFLSA-N 0 0 341.411 2.298 40 0 EEABRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(N(C)C)ccn1 ZINC000190754848 464715943 /nfs/dbraw/zinc/71/59/43/464715943.db2.gz XPDKYGLNHBFVGS-UHFFFAOYSA-N 0 0 327.310 2.461 40 0 EEABRN Cc1nc(CN2Cc3cncn3[C@@H](C(=O)NC3CCCC3)C2)cs1 ZINC000247963451 464717921 /nfs/dbraw/zinc/71/79/21/464717921.db2.gz PNSKDSHTMSTJMG-MRXNPFEDSA-N 0 0 345.472 2.264 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@@H]3COCc2ccncc2)s1 ZINC000248024433 464724004 /nfs/dbraw/zinc/72/40/04/464724004.db2.gz NHFDDUGQORYPPU-CQSZACIVSA-N 0 0 332.429 2.054 40 0 EEABRN COc1cc2nc(Cn3ccnc3C(C)C)[nH]c(=O)c2cc1OC ZINC000182795199 464729032 /nfs/dbraw/zinc/72/90/32/464729032.db2.gz GDCVOLLONKFPQB-UHFFFAOYSA-N 0 0 328.372 2.309 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(Cc4cnn(C)c4)C3)C2)c1 ZINC000248130610 464732667 /nfs/dbraw/zinc/73/26/67/464732667.db2.gz NDKOGYUTNRHQAY-GOSISDBHSA-N 0 0 342.443 2.074 40 0 EEABRN COc1cccc(CCNC(=O)NC[C@@H]2CSCCS2)c1 ZINC000176387473 464762752 /nfs/dbraw/zinc/76/27/52/464762752.db2.gz AWQAWYXAWMMVFT-CQSZACIVSA-N 0 0 326.487 2.386 40 0 EEABRN COC(C)(C)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000252499149 464970283 /nfs/dbraw/zinc/97/02/83/464970283.db2.gz RWEFRSBASFLSGD-GOSISDBHSA-N 0 0 345.399 2.275 40 0 EEABRN O=C(N[C@@H]1CCN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000252537144 464980891 /nfs/dbraw/zinc/98/08/91/464980891.db2.gz KLBOFHCZJPKSEK-IEBWSBKVSA-N 0 0 349.434 2.444 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN([C@H](C)c3ccccn3)CC2)n1 ZINC000192784966 464996553 /nfs/dbraw/zinc/99/65/53/464996553.db2.gz YDLXUVFUAOCLLB-HUUCEWRRSA-N 0 0 327.432 2.325 40 0 EEABRN Cn1cc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cn1 ZINC000253471583 465015386 /nfs/dbraw/zinc/01/53/86/465015386.db2.gz DIBRXTUTHGSGFD-UHFFFAOYSA-N 0 0 336.779 2.279 40 0 EEABRN Cc1ccnc(O[C@@H]2CCOC3(CN(C(=O)c4cccs4)C3)C2)n1 ZINC000253478021 465016379 /nfs/dbraw/zinc/01/63/79/465016379.db2.gz ITWRZFDBMFYTKN-CYBMUJFWSA-N 0 0 345.424 2.299 40 0 EEABRN CC[C@]1(C)COCCN1C(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000330627551 465737162 /nfs/dbraw/zinc/73/71/62/465737162.db2.gz KIHBMTJQSIVEHH-MRXNPFEDSA-N 0 0 325.430 2.040 40 0 EEABRN O=C(C1=CCCCC1)N1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000306124533 466486259 /nfs/dbraw/zinc/48/62/59/466486259.db2.gz BSWPSBNWVAQYPX-OAHLLOKOSA-N 0 0 342.443 2.397 40 0 EEABRN O=C(Nc1ccccc1Cl)N1C[C@H]2C[C@@]3(CCCNC3=O)[C@@H](C1)O2 ZINC000306124711 466486495 /nfs/dbraw/zinc/48/64/95/466486495.db2.gz BXIAZDRRBMFDPZ-ZLENFMNRSA-N 0 0 349.818 2.241 40 0 EEABRN CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306138659 466494768 /nfs/dbraw/zinc/49/47/68/466494768.db2.gz SDUCAQIUHXXBDY-HNNXBMFYSA-N 0 0 347.434 2.275 40 0 EEABRN CCOC(=O)N1CCN(C(=S)Oc2ccc3nccnc3c2)CC1 ZINC000408735002 466682754 /nfs/dbraw/zinc/68/27/54/466682754.db2.gz ITEUSJIWGOWWSG-UHFFFAOYSA-N 0 0 346.412 2.068 40 0 EEABRN O=C(NCCC1CCCCC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000409234088 466687037 /nfs/dbraw/zinc/68/70/37/466687037.db2.gz YWJSJKLPUYJURV-UHFFFAOYSA-N 0 0 332.400 2.118 40 0 EEABRN CNC(=O)C1(C(=O)NCCn2c3ccccc3c3ccccc32)CC1 ZINC000390833078 467414079 /nfs/dbraw/zinc/41/40/79/467414079.db2.gz BUARRWVQOFBQLC-UHFFFAOYSA-N 0 0 335.407 2.437 40 0 EEABRN O=C(NCCc1nc2ccccc2[nH]1)[C@@H](O)Cc1cccc(Cl)c1 ZINC000390833313 467414110 /nfs/dbraw/zinc/41/41/10/467414110.db2.gz FYYINHCXKPQZGO-INIZCTEOSA-N 0 0 343.814 2.479 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccnc1 ZINC000575405176 468141490 /nfs/dbraw/zinc/14/14/90/468141490.db2.gz WTAABKYOFFTNQL-HYVNUMGLSA-N 0 0 330.428 2.262 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(-c3ccccc3Br)n2C1 ZINC000601044830 468729953 /nfs/dbraw/zinc/72/99/53/468729953.db2.gz RPSGPBFFPUYSBN-VIFPVBQESA-N 0 0 336.189 2.443 40 0 EEABRN Cc1cc(F)c(F)cc1C(=O)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093364 468963516 /nfs/dbraw/zinc/96/35/16/468963516.db2.gz RGDWYGZLPZDIJK-OAHLLOKOSA-N 0 0 344.308 2.261 40 0 EEABRN CCN1CC[C@]2(CN(Cc3cccnc3OC)CC(F)(F)C2)C1=O ZINC000585093467 468963542 /nfs/dbraw/zinc/96/35/42/468963542.db2.gz YHQHRVZBKMSZER-INIZCTEOSA-N 0 0 339.386 2.170 40 0 EEABRN O=C(c1cnc2ccccc2c1)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093413 468963671 /nfs/dbraw/zinc/96/36/71/468963671.db2.gz VFBNOBQMPJKGLO-KRWDZBQOSA-N 0 0 345.349 2.222 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C ZINC000585097747 468965655 /nfs/dbraw/zinc/96/56/55/468965655.db2.gz NUCQASXTZRERBE-LBPRGKRZSA-N 0 0 343.383 2.018 40 0 EEABRN O=C(Nc1ccn(C2CCOCC2)n1)Nc1ccc2c(c1)CCC2=O ZINC000585101674 468968499 /nfs/dbraw/zinc/96/84/99/468968499.db2.gz OHLLCMXGWOSZHM-UHFFFAOYSA-N 0 0 340.383 3.008 40 0 EEABRN CCO[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1cn(C)nc1C(F)F)C2 ZINC000585102843 468970104 /nfs/dbraw/zinc/97/01/04/468970104.db2.gz KLHIFEISADWOGU-BDJLRTHQSA-N 0 0 343.374 2.158 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000585102702 468970689 /nfs/dbraw/zinc/97/06/89/468970689.db2.gz GTCOVCLOFJCAND-LPHOPBHVSA-N 0 0 332.419 2.475 40 0 EEABRN COCCOC(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000585105911 468972530 /nfs/dbraw/zinc/97/25/30/468972530.db2.gz YMBFCVPRSYLVMP-UHFFFAOYSA-N 0 0 346.427 2.066 40 0 EEABRN Cc1nnc(CN2CCN(Cc3ccccc3OC(C)C)CC2)[nH]1 ZINC000585139809 468988961 /nfs/dbraw/zinc/98/89/61/468988961.db2.gz KDJVTALSJSKUCI-UHFFFAOYSA-N 0 0 329.448 2.218 40 0 EEABRN Cc1ncc(-c2cncc(CC3CCN(c4ncccn4)CC3)n2)n1C ZINC000585261145 468995116 /nfs/dbraw/zinc/99/51/16/468995116.db2.gz QHXXVRAQNMAZFV-UHFFFAOYSA-N 0 0 349.442 2.435 40 0 EEABRN CN(C)c1nc([C@H]2CCN(C(=O)c3ccccn3)C2)cn2cccc12 ZINC000585182410 468996132 /nfs/dbraw/zinc/99/61/32/468996132.db2.gz LSUBLAFFNHFKQG-AWEZNQCLSA-N 0 0 335.411 2.425 40 0 EEABRN Cc1cccnc1CN1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585269219 468997213 /nfs/dbraw/zinc/99/72/13/468997213.db2.gz LYTVEGOIBQVZSD-LJQANCHMSA-N 0 0 328.412 2.032 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585273377 468999198 /nfs/dbraw/zinc/99/91/98/468999198.db2.gz TVXRZAVMOMOYCK-OALUTQOASA-N 0 0 341.455 2.174 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)c2cncnc2)C1 ZINC000585277107 469001701 /nfs/dbraw/zinc/00/17/01/469001701.db2.gz LIKASDMUTYMWJC-IBGZPJMESA-N 0 0 341.411 2.485 40 0 EEABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000005459938 524477707 /nfs/dbraw/zinc/47/77/07/524477707.db2.gz PDENIOBYCJGEPN-KRWDZBQOSA-N 0 0 338.407 2.360 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032951857 528896813 /nfs/dbraw/zinc/89/68/13/528896813.db2.gz RAXWLBKTVDVTFV-HUUCEWRRSA-N 0 0 338.473 2.392 40 0 EEABRN CCc1nsc(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 ZINC000253431843 535913273 /nfs/dbraw/zinc/91/32/73/535913273.db2.gz IIQZYXIPBKCMGM-CYBMUJFWSA-N 0 0 348.428 2.335 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@@H]2c2cc(NC)nc(C)n2)c(C)n1 ZINC000257215272 536025868 /nfs/dbraw/zinc/02/58/68/536025868.db2.gz CPKZDZQRTBCGBE-OAHLLOKOSA-N 0 0 328.420 2.329 40 0 EEABRN COCCNC(=S)Nc1nc(C)cc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000225899225 536892553 /nfs/dbraw/zinc/89/25/53/536892553.db2.gz GGYNKSXEWAREOK-RYUDHWBXSA-N 0 0 337.493 2.200 40 0 EEABRN COc1ccc([C@H]2CN(Cc3cnn(C)c3C)CCN2C(C)=O)cc1 ZINC000257223664 536944215 /nfs/dbraw/zinc/94/42/15/536944215.db2.gz DYJNIECZHLSNPT-LJQANCHMSA-N 0 0 342.443 2.143 40 0 EEABRN CO[C@@H](C(=O)N1CC(n2ccnn2)C1)c1ccccc1C(F)(F)F ZINC000935288076 1208127115 /nfs/dbraw/zinc/12/71/15/1208127115.db2.gz BAOBPLSTYQTCDU-CYBMUJFWSA-N 0 0 340.305 2.068 40 0 EEABRN CC[C@]1(CNC(=O)c2c[nH]c(=O)cc2OC)OCCc2ccccc21 ZINC000936026254 1208259009 /nfs/dbraw/zinc/25/90/09/1208259009.db2.gz KCUOXLVXQCFHGJ-LJQANCHMSA-N 0 0 342.395 2.404 40 0 EEABRN O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 ZINC000032648481 1352383096 /nfs/dbraw/zinc/38/30/96/1352383096.db2.gz SBTBJWYNDHAARO-UHFFFAOYSA-N 0 0 340.314 2.447 40 0 EEABRN COc1ccccc1N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000055651080 214336921 /nfs/dbraw/zinc/33/69/21/214336921.db2.gz BMKVWKJYFMIABG-UHFFFAOYSA-N 0 0 334.397 2.479 40 0 EEABRN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000063182932 214748567 /nfs/dbraw/zinc/74/85/67/214748567.db2.gz QHKYQBIHMWCRSV-UHFFFAOYSA-N 0 0 349.383 2.359 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)OC23CCCCC3)n1 ZINC000057355684 214423208 /nfs/dbraw/zinc/42/32/08/214423208.db2.gz WVBVCDMPVNMTKU-OAHLLOKOSA-N 0 0 333.432 2.272 40 0 EEABRN Cc1noc([C@@H](C)NC(=O)COc2ccc(Br)cc2)n1 ZINC000060241682 214630462 /nfs/dbraw/zinc/63/04/62/214630462.db2.gz MUTWRTWJKOQYQD-MRVPVSSYSA-N 0 0 340.177 2.397 40 0 EEABRN CN(C)c1cccc(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000049026560 213977044 /nfs/dbraw/zinc/97/70/44/213977044.db2.gz FBLKTCWYXYKHOC-ZBFHGGJFSA-N 0 0 337.423 2.174 40 0 EEABRN CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CO[C@H]12 ZINC000004222772 210147256 /nfs/dbraw/zinc/14/72/56/210147256.db2.gz PSVFFFVLJJKLFD-UMSGYPCISA-N 0 0 346.305 2.008 40 0 biogenic,in-vitro EEABRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000096425561 290818400 /nfs/dbraw/zinc/81/84/00/290818400.db2.gz XIFDPBRPRSXZNA-AWEZNQCLSA-N 0 0 348.410 2.395 40 0 EEABRN CSc1ncc(-c2nnsc2C(=O)OC[C@@H]2CCCO2)cn1 ZINC000223857148 539657941 /nfs/dbraw/zinc/65/79/41/539657941.db2.gz BKDXNQKDYYODLT-VIFPVBQESA-N 0 0 338.414 2.053 40 0 EEABRN CC(C)Cc1noc(C2CCN(C(=O)CCc3cnn(C)c3)CC2)n1 ZINC000041122105 213418926 /nfs/dbraw/zinc/41/89/26/213418926.db2.gz UYSMFBKZMQBLKU-UHFFFAOYSA-N 0 0 345.447 2.340 40 0 EEABRN CCOC(=O)C(NC(C)=O)(C(=O)OCC)c1csc2ccccc21 ZINC000001701429 209784017 /nfs/dbraw/zinc/78/40/17/209784017.db2.gz FNTNKFSFFUZJFV-UHFFFAOYSA-N 0 0 349.408 2.359 40 0 EEABRN O=C(NCCCOCc1ccco1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000040079718 213258544 /nfs/dbraw/zinc/25/85/44/213258544.db2.gz MFTWKPWCSAQYTD-OAHLLOKOSA-N 0 0 342.395 2.356 40 0 EEABRN O=C(CCC1CCCCC1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000039558784 213241197 /nfs/dbraw/zinc/24/11/97/213241197.db2.gz WIDCVODWDILYLO-UHFFFAOYSA-N 0 0 344.415 2.271 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)N2CCc3ccccc32)cc1 ZINC000038771938 213225308 /nfs/dbraw/zinc/22/53/08/213225308.db2.gz KKBDFSMAXRNSLC-UHFFFAOYSA-N 0 0 331.393 2.366 40 0 EEABRN O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCNC(=O)C1 ZINC000038511638 213212662 /nfs/dbraw/zinc/21/26/62/213212662.db2.gz RHBAJMKMMLRQRV-UHFFFAOYSA-N 0 0 336.804 2.112 40 0 EEABRN CCc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 ZINC000035290428 213017883 /nfs/dbraw/zinc/01/78/83/213017883.db2.gz JREPNFYHCQFCMM-UHFFFAOYSA-N 0 0 339.424 2.469 40 0 EEABRN Cn1ncnc1S[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189134205 236775201 /nfs/dbraw/zinc/77/52/01/236775201.db2.gz VBPHYKXLWGPIJW-ZDUSSCGKSA-N 0 0 338.383 2.377 40 0 EEABRN CCOc1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1 ZINC000000415071 209577557 /nfs/dbraw/zinc/57/75/57/209577557.db2.gz HLLRAPOJXDHCET-UHFFFAOYSA-N 0 0 329.404 2.141 40 0 EEABRN Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)c1 ZINC000193412761 237390247 /nfs/dbraw/zinc/39/02/47/237390247.db2.gz OVTYIRYDWDENNF-UHFFFAOYSA-N 0 0 343.358 2.136 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072360230 216165464 /nfs/dbraw/zinc/16/54/64/216165464.db2.gz QYIPRXALVGLQFR-ZDUSSCGKSA-N 0 0 347.444 2.063 40 0 EEABRN CCN(Cc1ccncc1)c1cc([C@H]2CCN2C(C)=O)nc(C)n1 ZINC000072387664 216187055 /nfs/dbraw/zinc/18/70/55/216187055.db2.gz MDWXLZAHZDYAHR-QGZVFWFLSA-N 0 0 325.416 2.500 40 0 EEABRN Cc1cccc(C[C@@H]2COCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072388200 216187853 /nfs/dbraw/zinc/18/78/53/216187853.db2.gz JYIJJQAGGLIPJL-KRWDZBQOSA-N 0 0 340.423 2.487 40 0 EEABRN NC(=O)c1ccc([C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388128 216188520 /nfs/dbraw/zinc/18/85/20/216188520.db2.gz JBYLAWFNDLAZTR-GOSISDBHSA-N 0 0 336.395 2.235 40 0 EEABRN COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408624735 238297050 /nfs/dbraw/zinc/29/70/50/238297050.db2.gz RKJNEFADHUEQCD-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)Cn1ccnc1 ZINC000072960883 216333088 /nfs/dbraw/zinc/33/30/88/216333088.db2.gz HNXKYHVDZIOGLP-JTQLQIEISA-N 0 0 331.445 2.399 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108531651 219900224 /nfs/dbraw/zinc/90/02/24/219900224.db2.gz STIPXWNAOJMLCU-QLFBSQMISA-N 0 0 330.432 2.085 40 0 EEABRN COCCN1CC[C@]2(CCCN(C(=O)c3ccccc3C)CC2)C1=O ZINC000108534137 219901789 /nfs/dbraw/zinc/90/17/89/219901789.db2.gz RQULPUBVSJIFJV-HXUWFJFHSA-N 0 0 344.455 2.486 40 0 EEABRN Cc1ncc(/C=C/C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)s1 ZINC000073118992 216352586 /nfs/dbraw/zinc/35/25/86/216352586.db2.gz YDGKDPUJOIEUSL-PGLGOXFNSA-N 0 0 336.486 2.100 40 0 EEABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCOCC1 ZINC000022532345 212306113 /nfs/dbraw/zinc/30/61/13/212306113.db2.gz DKHUSGZCZIYYHC-QGZVFWFLSA-N 0 0 334.460 2.299 40 0 EEABRN C[C@@H](NC(=O)Cn1cc(CCO)cn1)c1ccc2c(c1)CCCC2 ZINC000193710066 240278068 /nfs/dbraw/zinc/27/80/68/240278068.db2.gz SIXLKQCJJCCJOD-CQSZACIVSA-N 0 0 327.428 2.174 40 0 EEABRN Cc1cc(N2CC[C@@H](NC(=O)N(CC3CCC3)C(C)C)C2=O)n(C)n1 ZINC000193860364 240337775 /nfs/dbraw/zinc/33/77/75/240337775.db2.gz NTBNAQGVFONUAB-OAHLLOKOSA-N 0 0 347.463 2.054 40 0 EEABRN CCS(=O)(=O)c1ccccc1NC[C@H](C)N1CCOC[C@@H]1C ZINC000195576201 241023154 /nfs/dbraw/zinc/02/31/54/241023154.db2.gz YXGBXWQJNYMMHI-KBPBESRZSA-N 0 0 326.462 2.001 40 0 EEABRN Cn1cc([C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)CCO2)cn1 ZINC000195578052 241025281 /nfs/dbraw/zinc/02/52/81/241025281.db2.gz DNWRBTMIWKDOAQ-LBPRGKRZSA-N 0 0 340.305 2.048 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1 ZINC000225409655 241848825 /nfs/dbraw/zinc/84/88/25/241848825.db2.gz VUYHKFSHKSSZCL-UHFFFAOYSA-N 0 0 326.324 2.125 40 0 EEABRN COc1cc(CN(C)C(=O)c2c(C)nn(C)c2C)cc(OC)c1OC ZINC000225884014 242070517 /nfs/dbraw/zinc/07/05/17/242070517.db2.gz JDPBWIAVEBIXMF-UHFFFAOYSA-N 0 0 347.415 2.335 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000226851744 242118288 /nfs/dbraw/zinc/11/82/88/242118288.db2.gz ZVMWGSRXKZDMQO-GDBMZVCRSA-N 0 0 329.400 2.243 40 0 EEABRN CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000230085199 242229809 /nfs/dbraw/zinc/22/98/09/242229809.db2.gz APRZVRDIVKSINQ-GARJFASQSA-N 0 0 338.395 2.188 40 0 EEABRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cnns1 ZINC000242155921 243013469 /nfs/dbraw/zinc/01/34/69/243013469.db2.gz WUJFOACJPPZADI-GOEBONIOSA-N 0 0 335.404 2.181 40 0 EEABRN CCCc1[nH][nH]c(=O)c1[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000019690967 284099806 /nfs/dbraw/zinc/09/98/06/284099806.db2.gz FNZWLBMEHLMPNB-OAHLLOKOSA-N 0 0 345.399 2.382 40 0 EEABRN O=S(=O)(CCC(F)(F)F)N1CCC(Oc2ccncc2)CC1 ZINC000253406691 243914852 /nfs/dbraw/zinc/91/48/52/243914852.db2.gz UVWVJRKRLIMYHY-UHFFFAOYSA-N 0 0 338.351 2.207 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCOC[C@@H]2c2ccccc2)cn1 ZINC000253398263 243904588 /nfs/dbraw/zinc/90/45/88/243904588.db2.gz DZPKFBDOOSYPHF-OAHLLOKOSA-N 0 0 327.388 2.148 40 0 EEABRN Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000253420781 243956418 /nfs/dbraw/zinc/95/64/18/243956418.db2.gz GPHIDOQGAHBDPF-CYBMUJFWSA-N 0 0 342.461 2.255 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)C=Cc3ccccc3)CC2)n1 ZINC000253537263 244016370 /nfs/dbraw/zinc/01/63/70/244016370.db2.gz IBOLPMKAHOJTFJ-FPLPWBNLSA-N 0 0 338.411 2.289 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2nccc3ccccc32)CCO1 ZINC000257200013 244113655 /nfs/dbraw/zinc/11/36/55/244113655.db2.gz ABQOXMMUDVUEOB-OAHLLOKOSA-N 0 0 349.394 2.280 40 0 EEABRN O=C(c1cc[nH]n1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257199725 244114914 /nfs/dbraw/zinc/11/49/14/244114914.db2.gz AAPJIKNOLUJPAI-HKUYNNGSSA-N 0 0 341.411 2.390 40 0 EEABRN CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC000257200984 244119099 /nfs/dbraw/zinc/11/90/99/244119099.db2.gz AFQOBAHDJVSDIQ-HZPDHXFCSA-N 0 0 336.457 2.105 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)CO[C@H](Cc1ccc(F)cc1)C2 ZINC000257221977 244189139 /nfs/dbraw/zinc/18/91/39/244189139.db2.gz DRJCPYBZTVMBQP-QGZVFWFLSA-N 0 0 333.403 2.412 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)CCc1cccnc1 ZINC000257229283 244205960 /nfs/dbraw/zinc/20/59/60/244205960.db2.gz FXMGMHIOPQMXOY-QZTJIDSGSA-N 0 0 329.444 2.264 40 0 EEABRN Cc1c[nH]c([C@H]2CCN(C(=O)c3ccnc(N4CCCC4)c3)C2)n1 ZINC000257219646 244178285 /nfs/dbraw/zinc/17/82/85/244178285.db2.gz DHOLMPSBUNIHNA-HNNXBMFYSA-N 0 0 325.416 2.343 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C1)CCCC(=O)N2C ZINC000257244400 244252988 /nfs/dbraw/zinc/25/29/88/244252988.db2.gz ILCRTRYXDMGAFR-LSDHHAIUSA-N 0 0 336.457 2.017 40 0 EEABRN C[C@]1(O)CCN(C(=O)Cc2cccnc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257240145 244240609 /nfs/dbraw/zinc/24/06/09/244240609.db2.gz HSEYHDMBTZVUSO-HKUYNNGSSA-N 0 0 344.386 2.194 40 0 EEABRN Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257251380 244271064 /nfs/dbraw/zinc/27/10/64/244271064.db2.gz JQMVEYPTLIWLNP-OAHLLOKOSA-N 0 0 349.460 2.326 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cc(C)cs2)n1 ZINC000257257991 244287995 /nfs/dbraw/zinc/28/79/95/244287995.db2.gz KRYAZSOPCUVOMU-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN c1cnc(CC[C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269638 244374052 /nfs/dbraw/zinc/37/40/52/244374052.db2.gz MQTFNMMWVQRWDR-QGZVFWFLSA-N 0 0 341.411 2.081 40 0 EEABRN CCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000257271047 244376634 /nfs/dbraw/zinc/37/66/34/244376634.db2.gz MWOZOLVMIGLABT-UHFFFAOYSA-N 0 0 348.472 2.494 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc(C)n1 ZINC000257261561 244351268 /nfs/dbraw/zinc/35/12/68/244351268.db2.gz LHWPJQKYYXKJFF-CQSZACIVSA-N 0 0 326.404 2.016 40 0 EEABRN COCC(=O)N1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257263733 244355946 /nfs/dbraw/zinc/35/59/46/244355946.db2.gz LREPYIZQXWDLNE-LBPRGKRZSA-N 0 0 347.444 2.256 40 0 EEABRN O=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCCC1 ZINC000257272551 244382657 /nfs/dbraw/zinc/38/26/57/244382657.db2.gz NCVURSLUGPRCHE-SFHVURJKSA-N 0 0 335.423 2.249 40 0 EEABRN Cc1cc(C)n(CC(=O)N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257272587 244382808 /nfs/dbraw/zinc/38/28/08/244382808.db2.gz NCZHKWWKUBVDES-BPQIPLTHSA-N 0 0 340.427 2.211 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2oc1=O ZINC000019936725 212087798 /nfs/dbraw/zinc/08/77/98/212087798.db2.gz YRZHTMUTZIQQFN-UHFFFAOYSA-N 0 0 346.408 2.401 40 0 EEABRN Cn1nccc1C(=O)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257280798 244406254 /nfs/dbraw/zinc/40/62/54/244406254.db2.gz OMMAMBCNAOSCDS-FVQHAEBGSA-N 0 0 325.412 2.488 40 0 EEABRN CCn1nccc1-c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000257331866 244553527 /nfs/dbraw/zinc/55/35/27/244553527.db2.gz XUPHALCFDMRKDR-HNNXBMFYSA-N 0 0 348.472 2.179 40 0 EEABRN O=C(c1ccc2nsnc2c1)N1CC[C@H](C(=O)N2CCCCC2)C1 ZINC000019748104 212061454 /nfs/dbraw/zinc/06/14/54/212061454.db2.gz WREXSYWTSBDCRO-ZDUSSCGKSA-N 0 0 344.440 2.166 40 0 EEABRN CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2 ZINC000019588780 212049272 /nfs/dbraw/zinc/04/92/72/212049272.db2.gz YFVRWVLCMNTVLM-GOSISDBHSA-N 0 0 336.439 2.371 40 0 EEABRN CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000019588733 212048561 /nfs/dbraw/zinc/04/85/61/212048561.db2.gz UEBNHOHFVXTBMN-YOEHRIQHSA-N 0 0 326.444 2.484 40 0 EEABRN CCN1C[C@H](C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1=O ZINC000019526916 212038143 /nfs/dbraw/zinc/03/81/43/212038143.db2.gz MQJTZLQGGOXSIC-HUUCEWRRSA-N 0 0 346.427 2.236 40 0 EEABRN O=C(C1CCCC1)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019402785 212026152 /nfs/dbraw/zinc/02/61/52/212026152.db2.gz KUEUFRLBCUZBNH-CQSZACIVSA-N 0 0 338.411 2.338 40 0 EEABRN O=C(NCc1ccc(Br)cc1F)NC[C@@H]1CCOC1 ZINC000078925177 217148800 /nfs/dbraw/zinc/14/88/00/217148800.db2.gz YGVKFSQQUGQRFN-VIFPVBQESA-N 0 0 331.185 2.424 40 0 EEABRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CCn1ccnn1 ZINC000078996970 217169702 /nfs/dbraw/zinc/16/97/02/217169702.db2.gz AXJDNALIDSULKY-OAHLLOKOSA-N 0 0 334.395 2.417 40 0 EEABRN O=C(N[C@H](Cc1ccccc1)C1CCCC1)N1CCO[C@@H](CO)C1 ZINC000078960857 217158353 /nfs/dbraw/zinc/15/83/53/217158353.db2.gz HBIFROJKLVLTEO-QZTJIDSGSA-N 0 0 332.444 2.191 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)CC1 ZINC000079036533 217178500 /nfs/dbraw/zinc/17/85/00/217178500.db2.gz IAESFLBYDYQBNR-DLBZAZTESA-N 0 0 345.443 2.284 40 0 EEABRN CC(C)OC(=O)N1CCC(OC(=O)c2cc(C(N)=O)cs2)CC1 ZINC000079037265 217179110 /nfs/dbraw/zinc/17/91/10/217179110.db2.gz SUQUTJNDLYFJJT-UHFFFAOYSA-N 0 0 340.401 2.013 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cccc2c[nH]nc21 ZINC000079002166 217171941 /nfs/dbraw/zinc/17/19/41/217171941.db2.gz LPOUHLIDVPXRRP-AWEZNQCLSA-N 0 0 338.342 2.237 40 0 EEABRN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000079330220 217209893 /nfs/dbraw/zinc/20/98/93/217209893.db2.gz SUUSTSHFYFFZMB-AWEZNQCLSA-N 0 0 344.415 2.222 40 0 EEABRN Cc1ccc(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cn1 ZINC000079349305 217211975 /nfs/dbraw/zinc/21/19/75/217211975.db2.gz HKKKCKUVSGRCSP-QGZVFWFLSA-N 0 0 335.354 2.375 40 0 EEABRN CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)Cc2ccccc21 ZINC000079354756 217213760 /nfs/dbraw/zinc/21/37/60/217213760.db2.gz UHLTYXHKYWZIJR-UHFFFAOYSA-N 0 0 342.424 2.204 40 0 EEABRN CCc1ccccc1-n1c(=O)c2cc(OC)c(OC)cc2[nH]c1=NN ZINC000015424589 211823313 /nfs/dbraw/zinc/82/33/13/211823313.db2.gz BTJQQNXFKIISOU-UHFFFAOYSA-N 0 0 340.383 2.251 40 0 EEABRN CCCn1cc(CN2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012330653 211348409 /nfs/dbraw/zinc/34/84/09/211348409.db2.gz DBACTBLORBVROF-UHFFFAOYSA-N 0 0 325.416 2.151 40 0 EEABRN Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCC(C)CC3)nc12 ZINC000012183528 211312633 /nfs/dbraw/zinc/31/26/33/211312633.db2.gz CKKGVEBKIROECO-UHFFFAOYSA-N 0 0 338.411 2.216 40 0 EEABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)C1(c2ccccc2)CC1 ZINC000012114878 211294908 /nfs/dbraw/zinc/29/49/08/211294908.db2.gz KYCUYNWDTUEQIU-UHFFFAOYSA-N 0 0 333.395 2.257 40 0 EEABRN CO[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 ZINC000012114594 211294702 /nfs/dbraw/zinc/29/47/02/211294702.db2.gz AESJGACOFDNVLV-KRWDZBQOSA-N 0 0 326.396 2.279 40 0 EEABRN CCn1cncc1CN1C[C@H](CN2CCOCC2)c2ccccc21 ZINC000012147178 211306774 /nfs/dbraw/zinc/30/67/74/211306774.db2.gz UOBCCSODYBWWIQ-INIZCTEOSA-N 0 0 326.444 2.339 40 0 EEABRN Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000012146629 211306532 /nfs/dbraw/zinc/30/65/32/211306532.db2.gz JGLFJVBNGARWPB-UHFFFAOYSA-N 0 0 346.293 2.002 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2o1 ZINC000011175373 211206713 /nfs/dbraw/zinc/20/67/13/211206713.db2.gz IPAUHZMXNOHUHC-UHFFFAOYSA-N 0 0 326.280 2.200 40 0 EEABRN Cc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2C[C@@H]1CCCO1 ZINC000009936536 211134298 /nfs/dbraw/zinc/13/42/98/211134298.db2.gz BODKXUQJEPFALK-ZDUSSCGKSA-N 0 0 337.379 2.239 40 0 EEABRN C[C@H]1CN=C(N2CCN(Cc3ccc(N4CCCC4)nc3)CC2)S1 ZINC000093663003 218239999 /nfs/dbraw/zinc/23/99/99/218239999.db2.gz LCPGSWAOQWTQLS-HNNXBMFYSA-N 0 0 345.516 2.291 40 0 EEABRN CCC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000009064320 211037858 /nfs/dbraw/zinc/03/78/58/211037858.db2.gz IKUJSGSDUGZVFL-UHFFFAOYSA-N 0 0 340.880 2.315 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096048270 218536684 /nfs/dbraw/zinc/53/66/84/218536684.db2.gz RYQACGNPYAKVDC-LPHOPBHVSA-N 0 0 339.395 2.319 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096107647 218601091 /nfs/dbraw/zinc/60/10/91/218601091.db2.gz MXBOUXKYNYFLDM-HKUYNNGSSA-N 0 0 342.395 2.194 40 0 EEABRN O=C(c1cccs1)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199477 218670570 /nfs/dbraw/zinc/67/05/70/218670570.db2.gz MANBWQYXWZKZFX-AWEZNQCLSA-N 0 0 341.436 2.422 40 0 EEABRN COc1cccc(NC(=S)NNC(=S)NNc2ccccc2)c1 ZINC000006424608 210633070 /nfs/dbraw/zinc/63/30/70/210633070.db2.gz CSIJGBQSIFDXIE-UHFFFAOYSA-N 0 0 347.469 2.388 40 0 EEABRN O=C(NC1CC1)c1c2c(sc1NC(=O)[C@@H]1CCCOC1)CCC2 ZINC000096403698 218752179 /nfs/dbraw/zinc/75/21/79/218752179.db2.gz HPJXTUVAWIDJLB-SNVBAGLBSA-N 0 0 334.441 2.494 40 0 EEABRN CC(C)Oc1ccccc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414090 218771558 /nfs/dbraw/zinc/77/15/58/218771558.db2.gz LBNNOZWBLUKIIE-NSHDSACASA-N 0 0 344.333 2.367 40 0 EEABRN CC(C)COc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000268364703 251858067 /nfs/dbraw/zinc/85/80/67/251858067.db2.gz VDGCROHFNOWMDL-RHSMWYFYSA-N 0 0 336.432 2.185 40 0 EEABRN C[C@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000096440432 218820965 /nfs/dbraw/zinc/82/09/65/218820965.db2.gz VPOQBFHJKOFHRC-XPTSAGLGSA-N 0 0 340.786 2.306 40 0 EEABRN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 ZINC000096437732 218818358 /nfs/dbraw/zinc/81/83/58/218818358.db2.gz BWMYTDXFCGRNRC-NWDGAFQWSA-N 0 0 329.404 2.500 40 0 EEABRN CN(C)c1nc(CNC(=O)Nc2cccc([S@@](C)=O)c2)cs1 ZINC000096446213 218829018 /nfs/dbraw/zinc/82/90/18/218829018.db2.gz COHJEKQUTUQCIZ-QFIPXVFZSA-N 0 0 338.458 2.268 40 0 EEABRN CC[C@](O)(CNC(=O)c1ccn[nH]1)c1ccc(Br)cc1 ZINC000096473713 218850895 /nfs/dbraw/zinc/85/08/95/218850895.db2.gz PTBYOTVHXSPDEP-AWEZNQCLSA-N 0 0 338.205 2.200 40 0 EEABRN C[C@@H](CS(=O)(=O)N[C@H](C)c1nnc2n1CCC2)c1ccccc1 ZINC000096482428 218857291 /nfs/dbraw/zinc/85/72/91/218857291.db2.gz KTQKPWAMGLXAIY-QWHCGFSZSA-N 0 0 334.445 2.008 40 0 EEABRN CCC[C@@H]1CN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CCO1 ZINC000096485439 218862267 /nfs/dbraw/zinc/86/22/67/218862267.db2.gz FKMOWNCJCQQRJA-SJORKVTESA-N 0 0 343.431 2.230 40 0 EEABRN COc1cccc(-c2cc(NC(=O)c3cnn(C)c3C)n(C)n2)c1 ZINC000096485932 218862272 /nfs/dbraw/zinc/86/22/72/218862272.db2.gz JVAGDAMDSHDWIB-UHFFFAOYSA-N 0 0 325.372 2.390 40 0 EEABRN CS[C@H]1CC[C@@H](N(C)C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000096490261 218868259 /nfs/dbraw/zinc/86/82/59/218868259.db2.gz GJARUSUSZWMTIE-MNOVXSKESA-N 0 0 337.470 2.421 40 0 EEABRN O=C(NCc1cccs1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986713 210351020 /nfs/dbraw/zinc/35/10/20/210351020.db2.gz CIXYCDALVNFDIC-DZGCQCFKSA-N 0 0 345.424 2.032 40 0 EEABRN COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)C ZINC000004876938 210310408 /nfs/dbraw/zinc/31/04/08/210310408.db2.gz GPPATLOYHATGBS-UHFFFAOYSA-N 0 0 348.472 2.132 40 0 EEABRN COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1-n1cnnn1 ZINC000097237598 219003232 /nfs/dbraw/zinc/00/32/32/219003232.db2.gz KQNUMXNQUXOEHP-CYBMUJFWSA-N 0 0 349.394 2.430 40 0 EEABRN CC(=O)N1CCN(c2cc(C)c(CNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072223728 257686607 /nfs/dbraw/zinc/68/66/07/257686607.db2.gz DONAXDKFUQVZTF-UHFFFAOYSA-N 0 0 348.447 2.083 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N(Cc2ccsc2)C2CC2)CC1 ZINC000096446265 533322792 /nfs/dbraw/zinc/32/27/92/533322792.db2.gz JJRQJTZFRZXBFO-UHFFFAOYSA-N 0 0 327.471 2.454 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000408706609 533487925 /nfs/dbraw/zinc/48/79/25/533487925.db2.gz AMELDLWZRZNQKL-CQSZACIVSA-N 0 0 326.396 2.231 40 0 EEABRN c1cnc(N2CCC[C@H](c3nccnc3Nc3cnccn3)C2)nc1 ZINC000072368934 296633627 /nfs/dbraw/zinc/63/36/27/296633627.db2.gz BHEJXGBDPIAKOO-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN COc1c(Br)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1C ZINC000096181041 286175252 /nfs/dbraw/zinc/17/52/52/286175252.db2.gz MABREHPODAWHGP-IUCAKERBSA-N 0 0 330.226 2.309 40 0 EEABRN CC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004278892 278233016 /nfs/dbraw/zinc/23/30/16/278233016.db2.gz YGAIATAVOPJRDO-JFGNBEQYSA-N 0 0 336.697 2.150 40 0 EEABRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cocn3)c12 ZINC000097103502 278594418 /nfs/dbraw/zinc/59/44/18/278594418.db2.gz NLJGOPZNANXASY-LBPRGKRZSA-N 0 0 341.371 2.467 40 0 EEABRN C[C@]1(O)CN(C(=O)CCc2cccnc2)CC[C@@H]1Oc1ccccc1 ZINC000257320556 280171555 /nfs/dbraw/zinc/17/15/55/280171555.db2.gz VXINUVLRCGYZIK-ICSRJNTNSA-N 0 0 340.423 2.445 40 0 EEABRN CC(C)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000096439911 280313014 /nfs/dbraw/zinc/31/30/14/280313014.db2.gz VJEZYVBASLBROR-MFKMUULPSA-N 0 0 332.853 2.091 40 0 EEABRN Cc1nccc(CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 ZINC000055837870 302708870 /nfs/dbraw/zinc/70/88/70/302708870.db2.gz LVYHHLBVJMROHE-CJNGLKHVSA-N 0 0 338.411 2.011 40 0 EEABRN C[C@@H](CNC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nncn1C ZINC000329493595 311680338 /nfs/dbraw/zinc/68/03/38/311680338.db2.gz ICJIOAWCUARVQH-XJKSGUPXSA-N 0 0 328.416 2.243 40 0 EEABRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)cc1 ZINC000330834823 311791121 /nfs/dbraw/zinc/79/11/21/311791121.db2.gz QYPDTGCKUMPGFC-MLGOLLRUSA-N 0 0 340.445 2.136 40 0 EEABRN Cc1cc2c(cc1C)[C@H](C(=O)N1CCNC[C@H]1c1ccncc1)CO2 ZINC000333266347 312121231 /nfs/dbraw/zinc/12/12/31/312121231.db2.gz JOOGPMRLSLUXSW-MSOLQXFVSA-N 0 0 337.423 2.348 40 0 EEABRN COc1ccc2c(c1)C1(CC1)CN(CC(=O)N[C@@H](C(C)=O)C(C)C)C2 ZINC000578403736 320311746 /nfs/dbraw/zinc/31/17/46/320311746.db2.gz SDBXOQOCEJFLHE-LJQANCHMSA-N 0 0 344.455 2.272 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@](C)(O)Cc2ccccc2)C1 ZINC000073761541 323319720 /nfs/dbraw/zinc/31/97/20/323319720.db2.gz GSRDVYVZWDSVQB-MBOZVWFJSA-N 0 0 346.471 2.180 40 0 EEABRN COc1cccc(Cl)c1CC(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000153119167 323330402 /nfs/dbraw/zinc/33/04/02/323330402.db2.gz CHWWQLUZXQAUJB-GFCCVEGCSA-N 0 0 338.835 2.395 40 0 EEABRN Cc1cc(Br)cc(C(=O)NCC2(CO)CCOCC2)c1 ZINC000184781324 465025723 /nfs/dbraw/zinc/02/57/23/465025723.db2.gz BGNSOHICTBRAKE-UHFFFAOYSA-N 0 0 342.233 2.276 40 0 EEABRN CCc1ncc(S(=O)(=O)N2CCCC[C@@H]2c2cc[nH]n2)s1 ZINC000329083092 465227663 /nfs/dbraw/zinc/22/76/63/465227663.db2.gz SPMVIWMRILPTRR-LLVKDONJSA-N 0 0 326.447 2.345 40 0 EEABRN CS(=O)(=O)CC1(Cn2nc(C(F)(F)F)c3cnccc32)CC1 ZINC000329238220 465277643 /nfs/dbraw/zinc/27/76/43/465277643.db2.gz KYKHQMTYRCDESS-UHFFFAOYSA-N 0 0 333.335 2.275 40 0 EEABRN O=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085436769 462547992 /nfs/dbraw/zinc/54/79/92/462547992.db2.gz MMLQHEDYMHRIRJ-INIZCTEOSA-N 0 0 348.830 2.353 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000087283739 462600157 /nfs/dbraw/zinc/60/01/57/462600157.db2.gz FBPQWOYZKQHHMB-MRVPVSSYSA-N 0 0 349.239 2.494 40 0 EEABRN COC(=O)[C@@](O)(CC(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000002767868 462601634 /nfs/dbraw/zinc/60/16/34/462601634.db2.gz WMAQAWCGWPDFTQ-NSHDSACASA-N 0 0 343.660 2.274 40 0 EEABRN O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000074653843 462620167 /nfs/dbraw/zinc/62/01/67/462620167.db2.gz FBEYBSUBIHLMQW-HZPDHXFCSA-N 0 0 332.448 2.471 40 0 EEABRN Cn1nc(C(=O)NCc2ccccc2Cl)cc1NC(=O)C1CC1 ZINC000046089181 462647042 /nfs/dbraw/zinc/64/70/42/462647042.db2.gz VOXCQXWBGVVAPM-UHFFFAOYSA-N 0 0 332.791 2.352 40 0 EEABRN O=C(NCC1(O)CCSCC1)c1sccc1Br ZINC000075120803 462679350 /nfs/dbraw/zinc/67/93/50/462679350.db2.gz MHWUCOHFEDGSRK-UHFFFAOYSA-N 0 0 336.276 2.499 40 0 EEABRN CCCCCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 ZINC000006597377 462691862 /nfs/dbraw/zinc/69/18/62/462691862.db2.gz AYEFWWRXNQIMEB-UHFFFAOYSA-N 0 0 329.418 2.097 40 0 EEABRN O=C(NC[C@H](O)c1ccc(Cl)s1)c1cnn(-c2ccccc2)n1 ZINC000075272549 462701309 /nfs/dbraw/zinc/70/13/09/462701309.db2.gz FOWGWLDQBWILFO-LBPRGKRZSA-N 0 0 348.815 2.446 40 0 EEABRN Nc1ccc([C@@H](c2ccccc2)c2nc(N)nc(N)n2)c(Cl)c1 ZINC000006927709 462712458 /nfs/dbraw/zinc/71/24/58/462712458.db2.gz PPLMYCJDGWEDPH-CYBMUJFWSA-N 0 0 326.791 2.452 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCC)cc1 ZINC000006946754 462713922 /nfs/dbraw/zinc/71/39/22/462713922.db2.gz QMFOFZQUZLOGMZ-ZDUSSCGKSA-N 0 0 342.461 2.059 40 0 EEABRN Cc1ccc([C@H]2c3c(-c4ccco4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297380 462816208 /nfs/dbraw/zinc/81/62/08/462816208.db2.gz ZATGRUHRPRQLGD-HNNXBMFYSA-N 0 0 347.338 2.432 40 0 EEABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000010330890 462817109 /nfs/dbraw/zinc/81/71/09/462817109.db2.gz GGYKEUGKNZETLG-NSHDSACASA-N 0 0 332.853 2.328 40 0 EEABRN O[C@@H]1O[C@H]([C@@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000011565564 462834207 /nfs/dbraw/zinc/83/42/07/462834207.db2.gz DBZINKYMMNBMIR-ZVDSWSACSA-N 0 0 340.416 2.224 40 0 EEABRN CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076499716 462869178 /nfs/dbraw/zinc/86/91/78/462869178.db2.gz LFMJOCJJUBPRGV-LSDHHAIUSA-N 0 0 327.421 2.182 40 0 EEABRN CC[C@H](C(=O)NCCC(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013711530 462900974 /nfs/dbraw/zinc/90/09/74/462900974.db2.gz VKODLJZMMHYYID-OAHLLOKOSA-N 0 0 326.462 2.394 40 0 EEABRN O=C1C[C@]23C=CCN4CC[C@H]5c6cc7c(cc6N1[C@@]5(CC2)[C@@H]43)OCO7 ZINC000014692588 462931035 /nfs/dbraw/zinc/93/10/35/462931035.db2.gz DTBOGXTYLFTPCH-XCXWGBRNSA-N 0 0 336.391 2.412 40 0 biogenic,in-vitro EEABRN CCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000015398169 462951465 /nfs/dbraw/zinc/95/14/65/462951465.db2.gz YFZMPPLDOGXHCT-UHFFFAOYSA-N 0 0 332.425 2.326 40 0 EEABRN Cc1nc2ncnn2c(N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1C ZINC000077225094 462955849 /nfs/dbraw/zinc/95/58/49/462955849.db2.gz QLHSZODQECPPCU-ZIAGYGMSSA-N 0 0 330.436 2.236 40 0 EEABRN COc1ccc(-c2nnc([C@H]3CCN(Cc4ncc[nH]4)C3)o2)cc1 ZINC000049170162 462958759 /nfs/dbraw/zinc/95/87/59/462958759.db2.gz KMMPTDKJPBYZCJ-ZDUSSCGKSA-N 0 0 325.372 2.458 40 0 biogenic,in-vitro EEABRN COc1cc(NC(=O)N2CC[C@H](c3nnc(C)o3)C2)cc(OC)c1 ZINC000049170739 462958964 /nfs/dbraw/zinc/95/89/64/462958964.db2.gz DBJDFOJZCURRAD-NSHDSACASA-N 0 0 332.360 2.417 40 0 biogenic,in-vitro EEABRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 ZINC000016850041 462990709 /nfs/dbraw/zinc/99/07/09/462990709.db2.gz YLUQELCMSBCOQV-UHFFFAOYSA-N 0 0 326.352 2.118 40 0 EEABRN COc1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1OC ZINC000017481813 463000605 /nfs/dbraw/zinc/00/06/05/463000605.db2.gz KVUQRWLCOFXDJY-UHFFFAOYSA-N 0 0 328.368 2.374 40 0 EEABRN CC1(CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCCC1 ZINC000077761174 463040252 /nfs/dbraw/zinc/04/02/52/463040252.db2.gz IISDJIFQYDKCPY-UHFFFAOYSA-N 0 0 345.378 2.041 40 0 EEABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000052410842 463077984 /nfs/dbraw/zinc/07/79/84/463077984.db2.gz WZJRYWRKUXGVJX-CQSZACIVSA-N 0 0 345.443 2.268 40 0 EEABRN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000095417010 463080489 /nfs/dbraw/zinc/08/04/89/463080489.db2.gz PRPBYDSCEYMSFT-WDEREUQCSA-N 0 0 327.471 2.480 40 0 EEABRN O=C(c1csnn1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095463134 463089344 /nfs/dbraw/zinc/08/93/44/463089344.db2.gz NHHKSUBDNBZKFS-UHFFFAOYSA-N 0 0 339.424 2.176 40 0 EEABRN CN1CCc2ccc(NC(=O)N[C@H](CO)Cc3ccccc3)cc21 ZINC000157239619 463111458 /nfs/dbraw/zinc/11/14/58/463111458.db2.gz FGABEHARCZZXBU-KRWDZBQOSA-N 0 0 325.412 2.404 40 0 EEABRN CCn1nnc2c1CCN(C(=O)/C=C/c1cccs1)[C@H]2COC ZINC000096035956 463142177 /nfs/dbraw/zinc/14/21/77/463142177.db2.gz AUYKMUSJLJPUMM-UZYOAWRESA-N 0 0 332.429 2.145 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096039237 463143672 /nfs/dbraw/zinc/14/36/72/463143672.db2.gz TXLBVUYIWRPNHP-FUHWJXTLSA-N 0 0 337.391 2.492 40 0 EEABRN Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096042729 463147163 /nfs/dbraw/zinc/14/71/63/463147163.db2.gz OJABJQFQIZTDAW-IAOVAPTHSA-N 0 0 343.383 2.459 40 0 EEABRN C[C@@H]1CN(C(=O)c2ccco2)CC[C@@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000096061321 463161785 /nfs/dbraw/zinc/16/17/85/463161785.db2.gz LBNRXKWVQRFRQP-ALKREAHSSA-N 0 0 346.427 2.302 40 0 EEABRN Cc1noc(C)c1CN1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096062467 463163218 /nfs/dbraw/zinc/16/32/18/463163218.db2.gz RTIOIZWVDLRWJD-IBGZPJMESA-N 0 0 342.443 2.415 40 0 EEABRN Cc1occc1C(=O)N1CCn2cc(CNc3ccccn3)nc2C1 ZINC000096068054 463164899 /nfs/dbraw/zinc/16/48/99/463164899.db2.gz CEZYGZRDPKOBPI-UHFFFAOYSA-N 0 0 337.383 2.448 40 0 EEABRN O=C(c1c[nH]cn1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074732 463167723 /nfs/dbraw/zinc/16/77/23/463167723.db2.gz DCMFPICKGPGUQK-SFHVURJKSA-N 0 0 344.390 2.060 40 0 EEABRN CCOc1ccccc1S(=O)(=O)NCc1cc(C2CC2)n(C)n1 ZINC000096099359 463172668 /nfs/dbraw/zinc/17/26/68/463172668.db2.gz YSKZEBIPVNWGFM-UHFFFAOYSA-N 0 0 335.429 2.175 40 0 EEABRN COC[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c1cnn2C ZINC000096100091 463173082 /nfs/dbraw/zinc/17/30/82/463173082.db2.gz KBVQKAKYASAKSH-KRWDZBQOSA-N 0 0 339.439 2.297 40 0 EEABRN Cc1cc(CN2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)no1 ZINC000096109934 463178137 /nfs/dbraw/zinc/17/81/37/463178137.db2.gz FTXZDKNKXOSHBH-MRXNPFEDSA-N 0 0 333.432 2.119 40 0 EEABRN COc1ccc2[nH]c(CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]3F)nc2c1 ZINC000096112271 463179585 /nfs/dbraw/zinc/17/95/85/463179585.db2.gz PEYXKEMVMWNJGD-DOMZBBRYSA-N 0 0 345.378 2.034 40 0 biogenic,in-vitro EEABRN O=C(c1cccnc1)N1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159543 463191027 /nfs/dbraw/zinc/19/10/27/463191027.db2.gz XSYSACBKNZZHQD-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161350 463191819 /nfs/dbraw/zinc/19/18/19/463191819.db2.gz RLADYEUFUFXNAO-INIZCTEOSA-N 0 0 335.407 2.218 40 0 EEABRN Cc1ccc2cnn(CCC(=O)N[C@@H](CO)Cc3ccccc3)c2c1 ZINC000096181000 463193210 /nfs/dbraw/zinc/19/32/10/463193210.db2.gz SLXCTPBTJNSFEU-GOSISDBHSA-N 0 0 337.423 2.455 40 0 EEABRN Cc1nc(NC(=O)COCc2nc(-c3cccnc3)no2)sc1C ZINC000096182516 463194772 /nfs/dbraw/zinc/19/47/72/463194772.db2.gz HTZKDJODAQZKDZ-UHFFFAOYSA-N 0 0 345.384 2.360 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 ZINC000096181731 463194820 /nfs/dbraw/zinc/19/48/20/463194820.db2.gz ZDQRIWJJMHKVRV-SJORKVTESA-N 0 0 343.358 2.066 40 0 EEABRN Cn1cccc1C(=O)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096187160 463198891 /nfs/dbraw/zinc/19/88/91/463198891.db2.gz DAMFRUFQLYGKAZ-NJAFHUGGSA-N 0 0 341.411 2.009 40 0 EEABRN c1csc(CN2Cc3nccn3C[C@H](COc3cccnc3)C2)n1 ZINC000096187965 463200175 /nfs/dbraw/zinc/20/01/75/463200175.db2.gz FPQDVSHHCDXXAC-CQSZACIVSA-N 0 0 341.440 2.446 40 0 EEABRN O=C([C@@H]1Cn2nccc2CN(Cc2ccsc2)C1)N1CCCC1 ZINC000096188806 463200748 /nfs/dbraw/zinc/20/07/48/463200748.db2.gz QAILZMSCZFKKNH-HNNXBMFYSA-N 0 0 330.457 2.199 40 0 EEABRN C[C@@]1(C(=O)NCCCn2cccn2)CC(c2cccc(F)c2)=NO1 ZINC000096193049 463202147 /nfs/dbraw/zinc/20/21/47/463202147.db2.gz ZNEBYJMLNRVUQN-KRWDZBQOSA-N 0 0 330.363 2.112 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)CCN2CCOCC2)s1 ZINC000079310524 463204706 /nfs/dbraw/zinc/20/47/06/463204706.db2.gz SUGMGKBORRDHSH-JTQLQIEISA-N 0 0 348.415 2.499 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1Cc1cccc(C)c1 ZINC000096206283 463207979 /nfs/dbraw/zinc/20/79/79/463207979.db2.gz FOPVYGHATAFFLD-FUHWJXTLSA-N 0 0 327.428 2.448 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2cncn2C[C@H](COCC2CCC2)C1 ZINC000096216113 463213154 /nfs/dbraw/zinc/21/31/54/463213154.db2.gz TWBYPYSQSVOXIG-OAHLLOKOSA-N 0 0 344.415 2.268 40 0 EEABRN Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccc4C)C[C@H]3O2)o1 ZINC000096209884 463214050 /nfs/dbraw/zinc/21/40/50/463214050.db2.gz JBMJRYKEVWRLPO-YESZJQIVSA-N 0 0 341.411 2.088 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219121 463216981 /nfs/dbraw/zinc/21/69/81/463216981.db2.gz WZPFTCBPGYXEIY-KBXCAEBGSA-N 0 0 327.384 2.469 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c(C)o1 ZINC000096220143 463218114 /nfs/dbraw/zinc/21/81/14/463218114.db2.gz PLJFLHIMKMPBIF-GZBFAFLISA-N 0 0 331.372 2.060 40 0 EEABRN Cc1cccc(CN2C(=O)CCC23CCN(C(=O)NC(C)C)CC3)n1 ZINC000096228294 463222117 /nfs/dbraw/zinc/22/21/17/463222117.db2.gz DZSIEQNPODASIZ-UHFFFAOYSA-N 0 0 344.459 2.465 40 0 EEABRN COc1cccc(N2C[C@]3(CCN(Cc4nccn4C)C3)CC2=O)c1 ZINC000096238952 463224411 /nfs/dbraw/zinc/22/44/11/463224411.db2.gz PFKXLTMVKKHKRV-LJQANCHMSA-N 0 0 340.427 2.058 40 0 EEABRN CCc1ncnc2c1CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000096255059 463228962 /nfs/dbraw/zinc/22/89/62/463228962.db2.gz ZKYFOCBFERCJLZ-UHFFFAOYSA-N 0 0 325.412 2.218 40 0 EEABRN O=C(Cc1ccccn1)N1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255774 463229164 /nfs/dbraw/zinc/22/91/64/463229164.db2.gz GQKMBVZWSFRASQ-UHFFFAOYSA-N 0 0 337.427 2.006 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@@H]1c1cnco1 ZINC000096260765 463230940 /nfs/dbraw/zinc/23/09/40/463230940.db2.gz WZGNVQMAXGBYJB-RGYTYGDFSA-N 0 0 339.395 2.464 40 0 EEABRN CS(=O)(=O)N1CCc2sc(C(=O)NCc3ccccc3)cc21 ZINC000096264586 463231150 /nfs/dbraw/zinc/23/11/50/463231150.db2.gz FOQZBNSVFDLXRZ-UHFFFAOYSA-N 0 0 336.438 2.000 40 0 EEABRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c2c(=O)[nH]n(C)c2n1 ZINC000096405496 463239066 /nfs/dbraw/zinc/23/90/66/463239066.db2.gz GXUBZSUTPSBVGJ-KBPBESRZSA-N 0 0 336.395 2.104 40 0 EEABRN CC(C)c1cnc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)o1 ZINC000096405955 463239662 /nfs/dbraw/zinc/23/96/62/463239662.db2.gz OYELTTSXCOPUTN-UHFFFAOYSA-N 0 0 336.355 2.137 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000096415510 463248355 /nfs/dbraw/zinc/24/83/55/463248355.db2.gz GPELQWWILPLEKD-GXFFZTMASA-N 0 0 343.349 2.166 40 0 EEABRN O=C(c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000096415066 463248467 /nfs/dbraw/zinc/24/84/67/463248467.db2.gz GELLTMRRTJUSPR-AWEZNQCLSA-N 0 0 340.420 2.061 40 0 EEABRN Cc1ccc(C[C@@H](C)NC(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)c1 ZINC000096417750 463248988 /nfs/dbraw/zinc/24/89/88/463248988.db2.gz PVOSIXKTEPLIQL-HUUCEWRRSA-N 0 0 338.473 2.063 40 0 EEABRN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NC(N)=O ZINC000069457407 463251734 /nfs/dbraw/zinc/25/17/34/463251734.db2.gz SPBQOJSJTJBZJM-NSHDSACASA-N 0 0 341.371 2.326 40 0 EEABRN Cc1ccc(C(C)(C)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 ZINC000096420596 463251990 /nfs/dbraw/zinc/25/19/90/463251990.db2.gz ZNXGINBPHWVMLE-UHFFFAOYSA-N 0 0 349.456 2.152 40 0 EEABRN Cn1ccnc1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000096421344 463252649 /nfs/dbraw/zinc/25/26/49/463252649.db2.gz URTJSUGKSRZYHM-UHFFFAOYSA-N 0 0 326.169 2.294 40 0 EEABRN O=C(CN(C[C@@H](O)c1ccc(F)cc1)C1CC1)Nc1cccnc1 ZINC000096424447 463255474 /nfs/dbraw/zinc/25/54/74/463255474.db2.gz CKCMUEMSWGJWGO-QGZVFWFLSA-N 0 0 329.375 2.357 40 0 EEABRN Cc1cccc(C)c1NCC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000096426482 463255692 /nfs/dbraw/zinc/25/56/92/463255692.db2.gz ASCQZLCCKOKKRU-INIZCTEOSA-N 0 0 329.444 2.329 40 0 EEABRN Cn1cc(N2CC[C@H](Nc3ncnc4cc(F)c(F)cc43)C2)cn1 ZINC000096429526 463259114 /nfs/dbraw/zinc/25/91/14/463259114.db2.gz YRQSKJMLWVXKIA-JTQLQIEISA-N 0 0 330.342 2.332 40 0 EEABRN COc1ccccc1CC(=O)N1CCC(Nc2ccnc(C)n2)CC1 ZINC000096429339 463259319 /nfs/dbraw/zinc/25/93/19/463259319.db2.gz AFDMPNNUOQUGEM-UHFFFAOYSA-N 0 0 340.427 2.439 40 0 EEABRN Cc1nccc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1 ZINC000096429242 463259495 /nfs/dbraw/zinc/25/94/95/463259495.db2.gz XGXFLMQSFBUWIW-UHFFFAOYSA-N 0 0 334.445 2.225 40 0 EEABRN NC(=O)NCCCOC(=O)c1cc(Cl)ccc1Br ZINC000096442260 463268033 /nfs/dbraw/zinc/26/80/33/463268033.db2.gz JZYHQWHHWMBOHQ-UHFFFAOYSA-N 0 0 335.585 2.318 40 0 EEABRN Cn1cccc1C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454551 463274119 /nfs/dbraw/zinc/27/41/19/463274119.db2.gz AFUVMUMNDYQMRV-HNNXBMFYSA-N 0 0 339.317 2.174 40 0 EEABRN COC(=O)c1ccc(C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cc1 ZINC000096454428 463274492 /nfs/dbraw/zinc/27/44/92/463274492.db2.gz MFEJXSRPBVHZKP-LLVKDONJSA-N 0 0 344.333 2.182 40 0 EEABRN Cc1nnc2ccc(N[C@H]3CCN(c4cccc(Cl)c4)C3=O)nn12 ZINC000096455863 463275351 /nfs/dbraw/zinc/27/53/51/463275351.db2.gz VGCWEZPHTSWJRS-ZDUSSCGKSA-N 0 0 342.790 2.304 40 0 EEABRN CC(C)c1nsc(N2CCC(C(=O)Nc3ncccn3)CC2)n1 ZINC000096455774 463275643 /nfs/dbraw/zinc/27/56/43/463275643.db2.gz AUUCZQMCQIBHIO-UHFFFAOYSA-N 0 0 332.433 2.307 40 0 EEABRN CN(C)c1nc(CSc2nnnn2-c2cccc(F)c2)ns1 ZINC000096481621 463281168 /nfs/dbraw/zinc/28/11/68/463281168.db2.gz KKRFJDQRNYKVHJ-UHFFFAOYSA-N 0 0 337.409 2.011 40 0 EEABRN O=C(NCc1ccon1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000096496960 463289977 /nfs/dbraw/zinc/28/99/77/463289977.db2.gz RWDWMYKOSWPGOK-UHFFFAOYSA-N 0 0 343.309 2.437 40 0 EEABRN Cc1cccc([C@@H](C)CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000096500345 463290463 /nfs/dbraw/zinc/29/04/63/463290463.db2.gz PFLHPOGYBHSOOQ-GJZGRUSLSA-N 0 0 329.444 2.409 40 0 EEABRN Cc1[nH]cc(C(=O)N(CC(F)F)C2CC2)c(=O)c1Br ZINC000096500656 463291120 /nfs/dbraw/zinc/29/11/20/463291120.db2.gz WEYPLZGLMKYACV-UHFFFAOYSA-N 0 0 335.148 2.316 40 0 EEABRN Cc1noc(CCNC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)n1 ZINC000096503142 463292577 /nfs/dbraw/zinc/29/25/77/463292577.db2.gz KEQIUPFHMOTFPA-LBPRGKRZSA-N 0 0 349.460 2.070 40 0 EEABRN O=C(CCNc1ncc(Cl)cc1Br)N1CCOCC1 ZINC000159630546 463296542 /nfs/dbraw/zinc/29/65/42/463296542.db2.gz KATPUZABZLYIML-UHFFFAOYSA-N 0 0 348.628 2.158 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(OC)cc2)cc1 ZINC000030851363 463313628 /nfs/dbraw/zinc/31/36/28/463313628.db2.gz PMYXOYGCCQUWHL-UHFFFAOYSA-N 0 0 349.408 2.101 40 0 EEABRN CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCOCC2)C[C@H]1C(C)C ZINC000030880994 463316154 /nfs/dbraw/zinc/31/61/54/463316154.db2.gz ZYWWUELKQCNQLH-BZSNNMDCSA-N 0 0 336.476 2.226 40 0 biogenic,in-vitro EEABRN CCO[C@@H]1CCCN(C(=O)COc2cncc(Br)c2)C1 ZINC000097237622 463352475 /nfs/dbraw/zinc/35/24/75/463352475.db2.gz SDCNBIRTFCQPLC-GFCCVEGCSA-N 0 0 343.221 2.250 40 0 EEABRN COc1ccc(COC(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000070667079 463377773 /nfs/dbraw/zinc/37/77/73/463377773.db2.gz WROAEUHTWAJXIB-UHFFFAOYSA-N 0 0 327.336 2.164 40 0 EEABRN C[C@H]1CN(C[C@H](O)COc2ccccc2Br)C[C@H](C)O1 ZINC000034118501 463427291 /nfs/dbraw/zinc/42/72/91/463427291.db2.gz SOMACQAIPXXEEP-AVGNSLFASA-N 0 0 344.249 2.298 40 0 EEABRN CCN1c2ccc(S(=O)(=O)NCc3ccco3)cc2C(C)(C)C1=O ZINC000057280316 463474173 /nfs/dbraw/zinc/47/41/73/463474173.db2.gz HOGAXXHCSUBSFX-UHFFFAOYSA-N 0 0 348.424 2.402 40 0 EEABRN Cc1nn(C)c2cnn(Cc3ccc(C(=O)N4CCCCC4)o3)c12 ZINC000057279671 463474437 /nfs/dbraw/zinc/47/44/37/463474437.db2.gz KEHUBGLCJBTZGJ-UHFFFAOYSA-N 0 0 327.388 2.346 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC000057318601 463477777 /nfs/dbraw/zinc/47/77/77/463477777.db2.gz ADTILESCHBKLLD-JSGCOSHPSA-N 0 0 338.835 2.343 40 0 EEABRN NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(F)cc4)nc3c2)C1 ZINC000057327100 463479546 /nfs/dbraw/zinc/47/95/46/463479546.db2.gz YTVYQNIQLHRGKG-LLVKDONJSA-N 0 0 339.326 2.472 40 0 EEABRN COc1ncccc1C(=O)NCc1nccn1CCc1ccccc1 ZINC000081931202 463504313 /nfs/dbraw/zinc/50/43/13/463504313.db2.gz LCIPOSOXCVSSHN-UHFFFAOYSA-N 0 0 336.395 2.459 40 0 EEABRN C[NH2+]CC(=O)N1CCCC[C@@H]1c1ccnc([N-]c2ncc(C)s2)n1 ZINC000072383021 463509479 /nfs/dbraw/zinc/50/94/79/463509479.db2.gz NZMGVMSPHOATLC-CYBMUJFWSA-N 0 0 346.460 2.258 40 0 EEABRN CCc1cnc(N2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000107226192 463562512 /nfs/dbraw/zinc/56/25/12/463562512.db2.gz WBANSYWKJZPWQV-RDTXWAMCSA-N 0 0 343.406 2.423 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)NCc1nc2ccccc2n1C ZINC000058406667 463593895 /nfs/dbraw/zinc/59/38/95/463593895.db2.gz CALFSQBNWWJABG-UHFFFAOYSA-N 0 0 325.416 2.173 40 0 EEABRN Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108533046 463610212 /nfs/dbraw/zinc/61/02/12/463610212.db2.gz IDZFLUCOZYJSLO-FXAWDEMLSA-N 0 0 343.471 2.241 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCC(C)(C)C ZINC000084606132 463616634 /nfs/dbraw/zinc/61/66/34/463616634.db2.gz POGCFUGBPHKCIY-UHFFFAOYSA-N 0 0 330.450 2.394 40 0 EEABRN CCN(C(=O)[C@H](C)OC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000084779612 463631912 /nfs/dbraw/zinc/63/19/12/463631912.db2.gz DPFLNKXGUVIZTA-VIFPVBQESA-N 0 0 339.335 2.368 40 0 EEABRN COC(=O)c1ccc(C)c(NC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000043388430 463638784 /nfs/dbraw/zinc/63/87/84/463638784.db2.gz CPXNXICUFPXQPE-UHFFFAOYSA-N 0 0 349.431 2.014 40 0 EEABRN Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1-n1cnnn1 ZINC000044246716 463671297 /nfs/dbraw/zinc/67/12/97/463671297.db2.gz CWAZUIMSWIKZIW-UHFFFAOYSA-N 0 0 326.335 2.432 40 0 EEABRN COc1cccc(CNC(=O)CCn2c3ccccc3n(C)c2=O)c1 ZINC000044894267 463699081 /nfs/dbraw/zinc/69/90/81/463699081.db2.gz HTQJDWHHIMMRKK-UHFFFAOYSA-N 0 0 339.395 2.055 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3ccc(OC)c(F)c3)CCO2)n1 ZINC000257281900 463759894 /nfs/dbraw/zinc/75/98/94/463759894.db2.gz ORKBVSWIEAXPAE-MRXNPFEDSA-N 0 0 345.374 2.485 40 0 EEABRN CCCn1nccc1-c1cc([C@@H]2CCCN2S(C)(=O)=O)ccn1 ZINC000257296418 463767419 /nfs/dbraw/zinc/76/74/19/463767419.db2.gz RCTLOLFUPQDOEH-HNNXBMFYSA-N 0 0 334.445 2.452 40 0 EEABRN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]12 ZINC000257298140 463767688 /nfs/dbraw/zinc/76/76/88/463767688.db2.gz RKJOABFDDOPCTB-OWCLPIDISA-N 0 0 342.468 2.454 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC(c2cnccn2)CC1 ZINC000257305401 463769840 /nfs/dbraw/zinc/76/98/40/463769840.db2.gz SPVVGYUDLOMVFW-UHFFFAOYSA-N 0 0 325.368 2.268 40 0 EEABRN CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3nccs3)C2)ncn1 ZINC000257306387 463770879 /nfs/dbraw/zinc/77/08/79/463770879.db2.gz SUCQDUKGVGPSKD-INIZCTEOSA-N 0 0 346.460 2.244 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)n1 ZINC000257310964 463773205 /nfs/dbraw/zinc/77/32/05/463773205.db2.gz UHJGXJWEQOAVKT-INIZCTEOSA-N 0 0 327.432 2.406 40 0 EEABRN Cc1csc(-c2cccc(C[C@H]3CCN(S(C)(=O)=O)C3)n2)n1 ZINC000257321286 463775911 /nfs/dbraw/zinc/77/59/11/463775911.db2.gz WAZAELWDCHJBIE-GFCCVEGCSA-N 0 0 337.470 2.338 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCN2C)cc1 ZINC000257318714 463776254 /nfs/dbraw/zinc/77/62/54/463776254.db2.gz VPBIJKMWKWMYHE-SFHVURJKSA-N 0 0 342.443 2.187 40 0 EEABRN O=C(c1cncs1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257319945 463776302 /nfs/dbraw/zinc/77/63/02/463776302.db2.gz VUSABXOREFNZFN-NSHDSACASA-N 0 0 329.385 2.259 40 0 EEABRN CO[C@@H]1CCCC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@H]1O ZINC000257318570 463776474 /nfs/dbraw/zinc/77/64/74/463776474.db2.gz VOMVAIOTLDGSJH-IIAWOOMASA-N 0 0 329.799 2.456 40 0 EEABRN COCCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 ZINC000257329207 463780138 /nfs/dbraw/zinc/78/01/38/463780138.db2.gz XIYFHUCQQNUBBB-MRXNPFEDSA-N 0 0 330.428 2.232 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000257336255 463781995 /nfs/dbraw/zinc/78/19/95/463781995.db2.gz YNRMOUIZNWKEFR-CYBMUJFWSA-N 0 0 326.400 2.327 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1 ZINC000257337670 463784534 /nfs/dbraw/zinc/78/45/34/463784534.db2.gz YTVPGLLHOQOWCY-LLVKDONJSA-N 0 0 340.305 2.482 40 0 EEABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260894925 463791745 /nfs/dbraw/zinc/79/17/45/463791745.db2.gz GJKLBTYCFMPCSO-QWHCGFSZSA-N 0 0 342.461 2.010 40 0 EEABRN CCOc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260892632 463791767 /nfs/dbraw/zinc/79/17/67/463791767.db2.gz BCMXYEHDPTVZFB-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN Cc1cccc(OC[C@@H](O)CNc2cc(N3CCCC3)ncn2)c1 ZINC000277359408 463912313 /nfs/dbraw/zinc/91/23/13/463912313.db2.gz GVBXSDIRYLYXBL-HNNXBMFYSA-N 0 0 328.416 2.237 40 0 EEABRN COc1cccc(C)c1NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000195045688 463981758 /nfs/dbraw/zinc/98/17/58/463981758.db2.gz JQEOCQXAQKFAST-UHFFFAOYSA-N 0 0 346.431 2.415 40 0 EEABRN Cc1cc(C)n2c(nnc2S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000195083568 463987392 /nfs/dbraw/zinc/98/73/92/463987392.db2.gz MVPUBMLPMSVUOI-UHFFFAOYSA-N 0 0 336.804 2.368 40 0 EEABRN CN(C)c1ncc(CNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)n1C ZINC000269518942 464007254 /nfs/dbraw/zinc/00/72/54/464007254.db2.gz YAPCTNFQONPAGP-IXDOHACOSA-N 0 0 339.443 2.014 40 0 EEABRN Cc1ccccc1C1(CNC(=O)N2CC(=O)N(CC3CC3)C2)CC1 ZINC000279049060 464029691 /nfs/dbraw/zinc/02/96/91/464029691.db2.gz XXOMFHHGJQEGQF-UHFFFAOYSA-N 0 0 327.428 2.248 40 0 EEABRN Cc1[nH]ccc1C(=O)N1CSC[C@@H]1C(=O)NCc1ccccc1 ZINC000195535162 464072929 /nfs/dbraw/zinc/07/29/29/464072929.db2.gz OQLMIAINZBJKGY-OAHLLOKOSA-N 0 0 329.425 2.155 40 0 EEABRN O=C(CN1CCOCC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000195554174 464075828 /nfs/dbraw/zinc/07/58/28/464075828.db2.gz UBDZFXOLNUCVKO-ZDUSSCGKSA-N 0 0 336.741 2.392 40 0 EEABRN C[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000195561450 464077412 /nfs/dbraw/zinc/07/74/12/464077412.db2.gz MCKJLNNZRVHELH-OWCLPIDISA-N 0 0 341.459 2.422 40 0 EEABRN Cc1cnc(C)c(N2CCC(C(=O)NCc3cccnc3)CC2)n1 ZINC000195563795 464077958 /nfs/dbraw/zinc/07/79/58/464077958.db2.gz RIVSCLSPSOMRQE-UHFFFAOYSA-N 0 0 325.416 2.021 40 0 EEABRN O=S(=O)(CCN1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000279540764 464115798 /nfs/dbraw/zinc/11/57/98/464115798.db2.gz VMMMTBDNFCTUQI-UHFFFAOYSA-N 0 0 344.480 2.424 40 0 EEABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC(C)C ZINC000223358576 464142536 /nfs/dbraw/zinc/14/25/36/464142536.db2.gz JKHBKGYPGLJBIV-OAHLLOKOSA-N 0 0 342.461 2.012 40 0 EEABRN COc1cccc(C(=O)NCc2nccc(N3CCCC3)n2)c1OC ZINC000224149490 464148635 /nfs/dbraw/zinc/14/86/35/464148635.db2.gz MEBJTTGRTRWFQG-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN CC(C)[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000225222776 464154054 /nfs/dbraw/zinc/15/40/54/464154054.db2.gz WIBNBZNOTVOLKC-AWEZNQCLSA-N 0 0 338.473 2.387 40 0 EEABRN CC(=O)NC1CN(C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000225479601 464164235 /nfs/dbraw/zinc/16/42/35/464164235.db2.gz QUTCKWSOTXWUIU-UHFFFAOYSA-N 0 0 340.221 2.418 40 0 EEABRN Clc1cnccc1N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000225482753 464165484 /nfs/dbraw/zinc/16/54/84/464165484.db2.gz BDMBNQGHNQCAER-UHFFFAOYSA-N 0 0 344.850 2.452 40 0 EEABRN COc1cncc(O[C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 ZINC000225498598 464166923 /nfs/dbraw/zinc/16/69/23/464166923.db2.gz VXIICSOLYUUPQF-LBPRGKRZSA-N 0 0 344.371 2.034 40 0 EEABRN COC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225598928 464175349 /nfs/dbraw/zinc/17/53/49/464175349.db2.gz OZYMGSJLKPVSEJ-UHFFFAOYSA-N 0 0 334.416 2.441 40 0 EEABRN CC[C@@H](C(=O)NCCn1c(C)cc(OC)cc1=O)c1ccccc1 ZINC000225614418 464175748 /nfs/dbraw/zinc/17/57/48/464175748.db2.gz JHEAYBYTBWNUCX-QGZVFWFLSA-N 0 0 328.412 2.475 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)on1 ZINC000225661461 464177620 /nfs/dbraw/zinc/17/76/20/464177620.db2.gz GGVIMYPOAUMGGC-JTQLQIEISA-N 0 0 346.368 2.308 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@]12CCc1ccccc12 ZINC000173647106 464300844 /nfs/dbraw/zinc/30/08/44/464300844.db2.gz CHVYJSNYQBHYPT-BLIXFSHQSA-N 0 0 348.450 2.466 40 0 EEABRN O=C(N[C@H]1CCCc2ccccc21)c1cc(N2CCOCC2)ncn1 ZINC000240067897 464444853 /nfs/dbraw/zinc/44/48/53/464444853.db2.gz SDMXXBTURDQJTI-INIZCTEOSA-N 0 0 338.411 2.121 40 0 EEABRN O=C(NCc1ccc(F)cc1F)c1cccnc1O[C@H]1CCOC1 ZINC000245187658 464466807 /nfs/dbraw/zinc/46/68/07/464466807.db2.gz ZSNYOCWAUCALQZ-ZDUSSCGKSA-N 0 0 334.322 2.458 40 0 EEABRN O=C(NCCOc1ccccc1)c1ccnc(OC2CCOCC2)c1 ZINC000245026675 464466864 /nfs/dbraw/zinc/46/68/64/464466864.db2.gz NFVHHUKFSDTUFI-UHFFFAOYSA-N 0 0 342.395 2.448 40 0 EEABRN CN([C@@H]1[C@@H]2CCO[C@H]2C1(C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000245287215 464469757 /nfs/dbraw/zinc/46/97/57/464469757.db2.gz BMEBZXCXDSPNMY-CYZMBNFOSA-N 0 0 330.837 2.169 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000175680691 464601073 /nfs/dbraw/zinc/60/10/73/464601073.db2.gz NFGHRYBRBJWFGK-UHFFFAOYSA-N 0 0 325.217 2.213 40 0 EEABRN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)c1ccsc1 ZINC000247343598 464669260 /nfs/dbraw/zinc/66/92/60/464669260.db2.gz AXKKFNFSTNTELH-MGPQQGTHSA-N 0 0 349.481 2.081 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000247867516 464710995 /nfs/dbraw/zinc/71/09/95/464710995.db2.gz PBKIBHFTAMNZSS-HNNXBMFYSA-N 0 0 330.409 2.383 40 0 EEABRN Cc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCC3)C2)cs1 ZINC000247952260 464716955 /nfs/dbraw/zinc/71/69/55/464716955.db2.gz KNQSLAABLHFHJM-INIZCTEOSA-N 0 0 345.472 2.217 40 0 EEABRN COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1cccs1 ZINC000176472680 464781927 /nfs/dbraw/zinc/78/19/27/464781927.db2.gz MIWQYPCJVDKYBL-UHFFFAOYSA-N 0 0 329.374 2.256 40 0 EEABRN COCc1noc(CN2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000191133735 464782328 /nfs/dbraw/zinc/78/23/28/464782328.db2.gz KOMBCTYHOQQWLO-HOTGVXAUSA-N 0 0 334.464 2.326 40 0 EEABRN CCCC(=O)N[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000191981969 464839431 /nfs/dbraw/zinc/83/94/31/464839431.db2.gz KVHFDBRMBOHHAD-DOTOQJQBSA-N 0 0 329.444 2.321 40 0 EEABRN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000252484610 464962002 /nfs/dbraw/zinc/96/20/02/464962002.db2.gz GAMSGOYFTQXSGX-BPQIPLTHSA-N 0 0 344.455 2.188 40 0 EEABRN O=S(=O)(NCc1nc(-c2ccc(F)cc2Cl)no1)C1CC1 ZINC000252508961 464974927 /nfs/dbraw/zinc/97/49/27/464974927.db2.gz XZNRRGNMGMNZPD-UHFFFAOYSA-N 0 0 331.756 2.111 40 0 EEABRN CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](OCC)C1 ZINC000253381612 464996085 /nfs/dbraw/zinc/99/60/85/464996085.db2.gz FJRYQXHTFXIFLJ-ZDUSSCGKSA-N 0 0 335.429 2.404 40 0 EEABRN CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000253427702 465011492 /nfs/dbraw/zinc/01/14/92/465011492.db2.gz DGLUXODHORMDPB-YOEHRIQHSA-N 0 0 347.459 2.074 40 0 EEABRN CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000253427693 465011739 /nfs/dbraw/zinc/01/17/39/465011739.db2.gz DGLUXODHORMDPB-PBHICJAKSA-N 0 0 347.459 2.074 40 0 EEABRN CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330790453 465804200 /nfs/dbraw/zinc/80/42/00/465804200.db2.gz SQJUYOPAYPRKAV-WCQYABFASA-N 0 0 344.864 2.265 40 0 EEABRN Cc1ccc(-c2cc(NC(=O)C[C@H]3CCS(=O)(=O)C3)n[nH]2)s1 ZINC000299633649 465834915 /nfs/dbraw/zinc/83/49/15/465834915.db2.gz ODPNAAYFQVTOQX-SNVBAGLBSA-N 0 0 339.442 2.210 40 0 EEABRN O=C(C1CC1)N1C[C@H]2[C@H](C1)c1cc(-c3ccco3)ccc1S2(=O)=O ZINC000306135011 466491943 /nfs/dbraw/zinc/49/19/43/466491943.db2.gz OEQXSJAZXOZQLH-PBHICJAKSA-N 0 0 343.404 2.438 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCc1ccccn1)CS2)N1CCCC1 ZINC000306134254 466492451 /nfs/dbraw/zinc/49/24/51/466492451.db2.gz NHBHWHWAPHKYSJ-OAHLLOKOSA-N 0 0 333.457 2.374 40 0 EEABRN Cc1cnc(C(=O)N2CCn3c(-c4cccc(F)c4)cnc3C2)cn1 ZINC000306133858 466492509 /nfs/dbraw/zinc/49/25/09/466492509.db2.gz MXYOFHXCXXFOAF-UHFFFAOYSA-N 0 0 337.358 2.444 40 0 EEABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409189492 466686334 /nfs/dbraw/zinc/68/63/34/466686334.db2.gz HBYRYWYVDDEZQF-LBPRGKRZSA-N 0 0 342.461 2.057 40 0 EEABRN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000390833797 467414195 /nfs/dbraw/zinc/41/41/95/467414195.db2.gz NGKXVFWLWTZIFX-UHFFFAOYSA-N 0 0 349.412 2.166 40 0 EEABRN CCn1ccc2ccn(CCNC(=O)Cc3cccs3)c(=O)c21 ZINC000575605653 468145621 /nfs/dbraw/zinc/14/56/21/468145621.db2.gz GPBAVDSCJYHCAG-UHFFFAOYSA-N 0 0 329.425 2.243 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575608561 468146483 /nfs/dbraw/zinc/14/64/83/468146483.db2.gz ZDFPWCPRLOUXLA-AWEZNQCLSA-N 0 0 347.802 2.497 40 0 EEABRN c1cc2ncnc(N3CCN(c4cc5c(nn4)CCC5)CC3)c2s1 ZINC000575609347 468148022 /nfs/dbraw/zinc/14/80/22/468148022.db2.gz WHWBBXMHJMJJAV-UHFFFAOYSA-N 0 0 338.440 2.297 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093122 468963511 /nfs/dbraw/zinc/96/35/11/468963511.db2.gz CXGYCYFTDZVHOV-QGZVFWFLSA-N 0 0 345.349 2.222 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093121 468963750 /nfs/dbraw/zinc/96/37/50/468963750.db2.gz CXGYCYFTDZVHOV-KRWDZBQOSA-N 0 0 345.349 2.222 40 0 EEABRN C[C@H]1c2ncc(CCOCC3CC3)n2CCN1C(=O)CC1(O)CCC1 ZINC000585098671 468967555 /nfs/dbraw/zinc/96/75/55/468967555.db2.gz WPYZOCASZYNMLQ-AWEZNQCLSA-N 0 0 347.459 2.061 40 0 EEABRN Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2cccnc2)no1 ZINC000585098149 468967605 /nfs/dbraw/zinc/96/76/05/468967605.db2.gz UYNNAMSKWCMRIM-QGZVFWFLSA-N 0 0 339.399 2.428 40 0 EEABRN CC(C)OC(=O)NC[C@@H]1CCC2(CCN(c3cnccn3)CC2)CO1 ZINC000585101124 468968491 /nfs/dbraw/zinc/96/84/91/468968491.db2.gz GDQBNUGSXNAMHE-HNNXBMFYSA-N 0 0 348.447 2.377 40 0 EEABRN CCn1cc(NC(=O)c2cscc2C(F)(F)F)c(C(N)=O)n1 ZINC000585114322 468976042 /nfs/dbraw/zinc/97/60/42/468976042.db2.gz NGKHQRCSBNXTKN-UHFFFAOYSA-N 0 0 332.307 2.335 40 0 EEABRN CC(C)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)cc1 ZINC000585141155 468989788 /nfs/dbraw/zinc/98/97/88/468989788.db2.gz QOXDFGKFISAVEB-CQSZACIVSA-N 0 0 326.400 2.518 40 0 EEABRN NC(=O)[C@@H]1CCN(Cc2c(Br)cc(F)c(F)c2F)C1 ZINC000585141325 468990325 /nfs/dbraw/zinc/99/03/25/468990325.db2.gz TWNUAIBOKFQIEZ-ZCFIWIBFSA-N 0 0 337.139 2.174 40 0 EEABRN CC(C)(C)n1nnc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000585141912 468992131 /nfs/dbraw/zinc/99/21/31/468992131.db2.gz IJBDFQXDEWMPCO-KBPBESRZSA-N 0 0 329.404 2.078 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1Cc1ccc(F)cc1 ZINC000585268896 468995293 /nfs/dbraw/zinc/99/52/93/468995293.db2.gz CXNQNUOMRMHVJN-IRXDYDNUSA-N 0 0 329.375 2.478 40 0 EEABRN Cc1cc(C)nc(N2CCO[C@](CO)(Cc3ccccc3F)C2)n1 ZINC000585276602 469000527 /nfs/dbraw/zinc/00/05/27/469000527.db2.gz QGJIANBWLOVAAM-GOSISDBHSA-N 0 0 331.391 2.043 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2nccn2C)C[C@H]1Cc1ccc(C)cc1 ZINC000585277131 469001873 /nfs/dbraw/zinc/00/18/73/469001873.db2.gz LSVMSZBNDYRNFW-IAGOWNOFSA-N 0 0 327.428 2.448 40 0 EEABRN CCc1n[nH]cc1C(=O)N1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585279279 469005128 /nfs/dbraw/zinc/00/51/28/469005128.db2.gz YTVFJICOFSVOKX-SFHVURJKSA-N 0 0 329.400 2.018 40 0 EEABRN CO[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1Cc1ccccc1 ZINC000585278904 469005257 /nfs/dbraw/zinc/00/52/57/469005257.db2.gz IMZDZMPIKPEZEV-QZTJIDSGSA-N 0 0 327.428 2.379 40 0 EEABRN O=C(CCCn1ccnc1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585279807 469006683 /nfs/dbraw/zinc/00/66/83/469006683.db2.gz PREHDVRPYRALRQ-AEFFLSMTSA-N 0 0 345.418 2.255 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000245339497 525234961 /nfs/dbraw/zinc/23/49/61/525234961.db2.gz TZWMGUBMHUPJIM-FZKCQIBNSA-N 0 0 339.432 2.401 40 0 EEABRN CC(=O)N[C@H](C)C(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000189651485 526875305 /nfs/dbraw/zinc/87/53/05/526875305.db2.gz LADRRMYYYUZCBN-SECBINFHSA-N 0 0 332.322 2.461 40 0 EEABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000225559421 535817965 /nfs/dbraw/zinc/81/79/65/535817965.db2.gz OVYSPDSSXGDEDE-GOSISDBHSA-N 0 0 344.455 2.447 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cccn3C)CC2)cn1 ZINC000257220918 536421479 /nfs/dbraw/zinc/42/14/79/536421479.db2.gz DMTISQGDSQFDDT-AWEZNQCLSA-N 0 0 327.432 2.342 40 0 EEABRN COCc1ccc(C(=O)N2CCOC[C@H]2CCc2cnccn2)cc1 ZINC000257230501 536750612 /nfs/dbraw/zinc/75/06/12/536750612.db2.gz GCOUWQVEKCHEFN-GOSISDBHSA-N 0 0 341.411 2.097 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257232911 537136264 /nfs/dbraw/zinc/13/62/64/537136264.db2.gz GMYJEPWXKGSRBN-CQSZACIVSA-N 0 0 347.440 2.362 40 0 EEABRN CCn1cc([C@@H]2OCCC[C@H]2C(=O)N2Cc3cccnc3C2)cn1 ZINC000585141135 1184703482 /nfs/dbraw/zinc/70/34/82/1184703482.db2.gz QDXLCTLOPVSCOX-WBVHZDCISA-N 0 0 326.400 2.308 40 0 EEABRN Cc1ccc(F)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c1 ZINC000027975998 1352373809 /nfs/dbraw/zinc/37/38/09/1352373809.db2.gz LMWXXGCFTURSLU-UHFFFAOYSA-N 0 0 327.319 2.127 40 0 EEABRN OCCNc1nc2ccccc2n1C[C@H](O)c1cc(F)ccc1F ZINC000051092723 214076687 /nfs/dbraw/zinc/07/66/87/214076687.db2.gz GBDVWLCLWDXLRS-INIZCTEOSA-N 0 0 333.338 2.452 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000055546586 214328276 /nfs/dbraw/zinc/32/82/76/214328276.db2.gz QZLPBHXMAUZFCP-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)COc2ccccc2)c1 ZINC000056122967 214359879 /nfs/dbraw/zinc/35/98/79/214359879.db2.gz LSEFOYHIWXLQCZ-ZDUSSCGKSA-N 0 0 349.408 2.219 40 0 EEABRN CC(=O)c1c[nH]c(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000060345095 214632554 /nfs/dbraw/zinc/63/25/54/214632554.db2.gz VHBLUTIBGBFNIB-UHFFFAOYSA-N 0 0 335.404 2.158 40 0 EEABRN Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1C ZINC000126062734 222648191 /nfs/dbraw/zinc/64/81/91/222648191.db2.gz NOUMYBMGJMSLCL-HYVNUMGLSA-N 0 0 345.443 2.183 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)[O-] ZINC000004318916 210168414 /nfs/dbraw/zinc/16/84/14/210168414.db2.gz JLXXPVQLAJLGRL-FZMZJTMJSA-N 0 0 340.807 2.199 40 0 EEABRN O=C(CN1CCCC1=O)N1CCc2cc(Br)cc(F)c21 ZINC000178149868 232094743 /nfs/dbraw/zinc/09/47/43/232094743.db2.gz UDNLECVISVUSPW-UHFFFAOYSA-N 0 0 341.180 2.100 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004131986 210127139 /nfs/dbraw/zinc/12/71/39/210127139.db2.gz VAOLQEOMMDWLGV-UHFFFAOYSA-N 0 0 347.484 2.169 40 0 EEABRN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000003844189 210078027 /nfs/dbraw/zinc/07/80/27/210078027.db2.gz GFTSSZIALWXMOL-AWEZNQCLSA-N 0 0 332.356 2.385 40 0 EEABRN COc1ccc(-c2nnc3sc(NC(=O)C4CC4)nn32)cc1OC ZINC000041076501 213413846 /nfs/dbraw/zinc/41/38/46/213413846.db2.gz HITINUZXOUDCRS-UHFFFAOYSA-N 0 0 345.384 2.219 40 0 EEABRN CC(C)n1nccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000069057109 215357504 /nfs/dbraw/zinc/35/75/04/215357504.db2.gz OUXHTCDQPOKYFS-UHFFFAOYSA-N 0 0 340.383 2.479 40 0 EEABRN Cn1nc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)ccc1=O ZINC000044889469 282800644 /nfs/dbraw/zinc/80/06/44/282800644.db2.gz VCMCMEDSFHCGRP-LLVKDONJSA-N 0 0 335.816 2.401 40 0 EEABRN CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C)cc2)s1 ZINC000040461270 213307419 /nfs/dbraw/zinc/30/74/19/213307419.db2.gz FABBISIHCVHBIL-UHFFFAOYSA-N 0 0 338.454 2.171 40 0 EEABRN Cc1ccc2[nH]cc(CCn3ccc4c(nnc5ccnn54)c3=O)c2c1 ZINC000040388087 213295953 /nfs/dbraw/zinc/29/59/53/213295953.db2.gz KIXZTWIMOONMRM-UHFFFAOYSA-N 0 0 344.378 2.472 40 0 EEABRN CC(=O)NCc1ccc(S(=O)(=O)NC2CCCCCC2)s1 ZINC000039972276 213246877 /nfs/dbraw/zinc/24/68/77/213246877.db2.gz YXXJKLOKKBBKIX-UHFFFAOYSA-N 0 0 330.475 2.385 40 0 EEABRN Cc1nc(CN(C)C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)no1 ZINC000183335174 235015131 /nfs/dbraw/zinc/01/51/31/235015131.db2.gz HMURZQYKYFWSIF-ZDUSSCGKSA-N 0 0 348.790 2.043 40 0 EEABRN C[C@H](CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)c1nccs1 ZINC000184302407 235361565 /nfs/dbraw/zinc/36/15/65/235361565.db2.gz KUVULYDLZIRVPB-CHWSQXEVSA-N 0 0 339.461 2.431 40 0 EEABRN O=S(=O)(NCCc1cccnc1)c1cnc(-c2ccccc2)nc1 ZINC000186919523 236063877 /nfs/dbraw/zinc/06/38/77/236063877.db2.gz YUSVWSFFLKYSFA-UHFFFAOYSA-N 0 0 340.408 2.060 40 0 EEABRN C[C@H](C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21)S(C)(=O)=O ZINC000187352133 236186222 /nfs/dbraw/zinc/18/62/22/236186222.db2.gz QQFWLKYIPLDGKA-SNVBAGLBSA-N 0 0 342.848 2.089 40 0 EEABRN C[C@H](c1nnnn1C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000189744338 237209826 /nfs/dbraw/zinc/20/98/26/237209826.db2.gz RABXVQHLJZGJOB-LLVKDONJSA-N 0 0 340.353 2.112 40 0 EEABRN Cc1ccc(CCNS(=O)(=O)c2cnn(-c3ccccn3)c2)cc1 ZINC000072238935 216077631 /nfs/dbraw/zinc/07/76/31/216077631.db2.gz MGLSCBCNTRTXNE-UHFFFAOYSA-N 0 0 342.424 2.097 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 ZINC000072239664 216078508 /nfs/dbraw/zinc/07/85/08/216078508.db2.gz RPKGCSPHDWUHKA-ZDUSSCGKSA-N 0 0 332.429 2.228 40 0 EEABRN O=C1CCc2cc(S(=O)(=O)NCc3cccc(F)c3)ccc2N1 ZINC000072242950 216082428 /nfs/dbraw/zinc/08/24/28/216082428.db2.gz IUUWYLQSOZHSAK-UHFFFAOYSA-N 0 0 334.372 2.189 40 0 EEABRN CC[C@H](Cn1c2ccccc2oc1=O)NC(=O)c1c(C)noc1C ZINC000072324383 216151571 /nfs/dbraw/zinc/15/15/71/216151571.db2.gz VNNWCMJXFHBNIG-GFCCVEGCSA-N 0 0 329.356 2.408 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072327435 216152959 /nfs/dbraw/zinc/15/29/59/216152959.db2.gz RFSAXLLAMZEYQI-GFJSAUFNSA-N 0 0 334.379 2.010 40 0 EEABRN COc1ccc(Oc2cncc([C@@H]3CCCN3S(C)(=O)=O)n2)cc1 ZINC000072362000 216169245 /nfs/dbraw/zinc/16/92/45/216169245.db2.gz IZXIIDZHPIUILO-HNNXBMFYSA-N 0 0 349.412 2.374 40 0 EEABRN NC(=O)c1ccc(-c2nccc([C@H]3CCCN3c3ncccn3)n2)cc1 ZINC000072379596 216181916 /nfs/dbraw/zinc/18/19/16/216181916.db2.gz UDIXATWODAVLHA-MRXNPFEDSA-N 0 0 346.394 2.374 40 0 EEABRN Cc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072384579 216185371 /nfs/dbraw/zinc/18/53/71/216185371.db2.gz WLJSCWMZWCPGFW-SFHVURJKSA-N 0 0 342.374 2.174 40 0 EEABRN CN(Cc1c2cccnc2[nH]c1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000072393641 216193281 /nfs/dbraw/zinc/19/32/81/216193281.db2.gz WVEVXDAVYMYOSL-LBPRGKRZSA-N 0 0 335.473 2.479 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@]1(CO)CC(C)C ZINC000190144759 238247294 /nfs/dbraw/zinc/24/72/94/238247294.db2.gz HBJWGAWJYNROLI-GOSISDBHSA-N 0 0 336.480 2.162 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000131257372 223217833 /nfs/dbraw/zinc/21/78/33/223217833.db2.gz ITZJDQRNJDLNOX-OAHLLOKOSA-N 0 0 327.432 2.139 40 0 EEABRN CS(=O)(=O)N[C@@H]1CCCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000131417956 223231519 /nfs/dbraw/zinc/23/15/19/223231519.db2.gz GXYHFSNUFRJYRT-GFCCVEGCSA-N 0 0 339.848 2.406 40 0 EEABRN O=C(CC1(O)CCCC1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000073385189 216382254 /nfs/dbraw/zinc/38/22/54/216382254.db2.gz IMAMKORUYSNXTO-INIZCTEOSA-N 0 0 336.476 2.323 40 0 EEABRN CSc1nc(C2CC2)nc(C)c1C(=O)N(C)CCn1cccn1 ZINC000073560487 216395494 /nfs/dbraw/zinc/39/54/94/216395494.db2.gz NEYRYDZKRBAVEM-UHFFFAOYSA-N 0 0 331.445 2.353 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000074852624 216527050 /nfs/dbraw/zinc/52/70/50/216527050.db2.gz QNAVHIMZCFRMDE-ZBFHGGJFSA-N 0 0 339.480 2.139 40 0 EEABRN O=C(c1nc2cccnc2s1)N1CCCN(CC(F)(F)F)CC1 ZINC000193879350 240343169 /nfs/dbraw/zinc/34/31/69/240343169.db2.gz WWOQUSIKCMFIMI-UHFFFAOYSA-N 0 0 344.362 2.402 40 0 EEABRN Cc1cccc(OC2CCN(c3cnn(C)c(=O)c3Cl)CC2)n1 ZINC000195560984 241010966 /nfs/dbraw/zinc/01/09/66/241010966.db2.gz GVGSIHIEGPJZAD-UHFFFAOYSA-N 0 0 334.807 2.185 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218483279 241327473 /nfs/dbraw/zinc/32/74/73/241327473.db2.gz AISZBNKRPXIXAP-SGMGOOAPSA-N 0 0 347.889 2.159 40 0 EEABRN O=C(CN1CCOC1=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219521586 241393610 /nfs/dbraw/zinc/39/36/10/241393610.db2.gz PGYGDUXYZKMVHF-GFCCVEGCSA-N 0 0 326.443 2.207 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(C)cc2)c1 ZINC000225409937 241850643 /nfs/dbraw/zinc/85/06/43/241850643.db2.gz GIQSHZVOEHDVBW-UHFFFAOYSA-N 0 0 346.452 2.266 40 0 EEABRN Cc1ccc(-n2cc(S(=O)(=O)N3CCO[C@@H]4CCC[C@H]43)cn2)cc1 ZINC000230095864 242231503 /nfs/dbraw/zinc/23/15/03/242231503.db2.gz IYCNTJDSKRPCHA-IAGOWNOFSA-N 0 0 347.440 2.123 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3cccs3)C2)c1F ZINC000240067954 242965644 /nfs/dbraw/zinc/96/56/44/242965644.db2.gz SFBVVHRIZOZEGA-LLVKDONJSA-N 0 0 335.404 2.462 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1c1cccc(O)c1)CC2 ZINC000242288030 243015149 /nfs/dbraw/zinc/01/51/49/243015149.db2.gz YKNCIFZBXCGERJ-OWCLPIDISA-N 0 0 329.396 2.297 40 0 EEABRN Cc1cc(N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)nc(C)n1 ZINC000241776802 243001742 /nfs/dbraw/zinc/00/17/42/243001742.db2.gz RSRNUUMJKLHZSK-CQSZACIVSA-N 0 0 330.436 2.311 40 0 EEABRN O=C(NCc1cccnc1)C1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000245339023 243102864 /nfs/dbraw/zinc/10/28/64/243102864.db2.gz PZSMPWPBJPJWJL-PIIMJCKOSA-N 0 0 341.455 2.373 40 0 EEABRN CCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 ZINC000249694266 243703679 /nfs/dbraw/zinc/70/36/79/243703679.db2.gz OSBLSNVWRWUYLA-HOCLYGCPSA-N 0 0 340.420 2.216 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N2CCOC[C@@H]2c2ncnn2C)cc1F ZINC000252508279 243832461 /nfs/dbraw/zinc/83/24/61/243832461.db2.gz XJBUOIWHGXGXMQ-IUODEOHRSA-N 0 0 347.394 2.107 40 0 EEABRN CCOCC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn21 ZINC000253383258 243885092 /nfs/dbraw/zinc/88/50/92/243885092.db2.gz KYDHWGFTHFHERW-AWEZNQCLSA-N 0 0 330.388 2.372 40 0 EEABRN Cc1nc2n(n1)CCN(C(=O)Nc1cc(Cl)cc3c1OCC3)C2 ZINC000253428143 243971815 /nfs/dbraw/zinc/97/18/15/243971815.db2.gz IBNCTWBAHZWBAN-UHFFFAOYSA-N 0 0 333.779 2.223 40 0 EEABRN c1ccc(CCN2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cc1 ZINC000253588533 244027012 /nfs/dbraw/zinc/02/70/12/244027012.db2.gz GWGKZVFPIIOPTB-KRWDZBQOSA-N 0 0 325.412 2.332 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(OC)c2)CC1 ZINC000020456235 212132286 /nfs/dbraw/zinc/13/22/86/212132286.db2.gz RFCOWVGHNJAWDR-CYBMUJFWSA-N 0 0 335.400 2.264 40 0 EEABRN Cc1nc(CC(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)cs1 ZINC000257206950 244136873 /nfs/dbraw/zinc/13/68/73/244136873.db2.gz BFPWCRDSGLWKSD-AWEZNQCLSA-N 0 0 330.457 2.483 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257232155 244217288 /nfs/dbraw/zinc/21/72/88/244217288.db2.gz GJQPBBPMJNEVJX-GFCCVEGCSA-N 0 0 345.403 2.027 40 0 EEABRN CS(=O)(=O)N1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257244728 244252466 /nfs/dbraw/zinc/25/24/66/244252466.db2.gz IMNQFAXAXCGSST-HNNXBMFYSA-N 0 0 327.421 2.199 40 0 EEABRN CNc1cc(CC[C@H]2CN(Cc3cnc(C)nc3)CCO2)ccn1 ZINC000257246660 244257721 /nfs/dbraw/zinc/25/77/21/244257721.db2.gz IVDOSJNKZVEICV-KRWDZBQOSA-N 0 0 327.432 2.055 40 0 EEABRN Fc1ccnc(Nc2nccc([C@H]3CCN(Cc4c[nH]cn4)C3)n2)c1 ZINC000257241532 244245174 /nfs/dbraw/zinc/24/51/74/244245174.db2.gz HYIQJUYOMCHPPJ-LBPRGKRZSA-N 0 0 339.378 2.467 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257247501 244259844 /nfs/dbraw/zinc/25/98/44/244259844.db2.gz IZHFCYADRNFVOH-KRWDZBQOSA-N 0 0 329.375 2.375 40 0 EEABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccnc2)c1 ZINC000020110187 212101890 /nfs/dbraw/zinc/10/18/90/212101890.db2.gz MPESXKDMOPOYMN-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN CNC(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254166 244276427 /nfs/dbraw/zinc/27/64/27/244276427.db2.gz KBYYITNNBULYKU-AWEZNQCLSA-N 0 0 326.400 2.194 40 0 EEABRN c1c[nH]c(-c2cnc(C[C@H]3CCN(Cc4cscn4)C3)cn2)n1 ZINC000257269476 244373672 /nfs/dbraw/zinc/37/36/72/244373672.db2.gz MQDGMEKGESMTFI-GFCCVEGCSA-N 0 0 326.429 2.388 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257264130 244356558 /nfs/dbraw/zinc/35/65/58/244356558.db2.gz LTBAJBAQQQEAQO-KRWDZBQOSA-N 0 0 326.396 2.381 40 0 EEABRN C[C@@]1(c2ncc(CNC(=O)Cc3cccnc3)cn2)CCCCO1 ZINC000257292964 244439422 /nfs/dbraw/zinc/43/94/22/244439422.db2.gz QNPGLFKPTBTPOT-SFHVURJKSA-N 0 0 326.400 2.146 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)s1 ZINC000257295209 244445216 /nfs/dbraw/zinc/44/52/16/244445216.db2.gz QXKZIDSGKOFOLU-CQSZACIVSA-N 0 0 331.441 2.107 40 0 EEABRN Cn1nccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O ZINC000257294751 244446611 /nfs/dbraw/zinc/44/66/11/244446611.db2.gz QVNYOWILGYSIIU-UHFFFAOYSA-N 0 0 326.331 2.022 40 0 EEABRN O=C(CC1CCOCC1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257305194 244475521 /nfs/dbraw/zinc/47/55/21/244475521.db2.gz SOVACKWKISRXTE-OAHLLOKOSA-N 0 0 344.415 2.305 40 0 EEABRN Cc1nc(C)c(C(=O)Nc2cnn(CC(=O)N3CCCCC3)c2)s1 ZINC000019746112 212059914 /nfs/dbraw/zinc/05/99/14/212059914.db2.gz CUUYOBQBKGAOIN-UHFFFAOYSA-N 0 0 347.444 2.221 40 0 EEABRN CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000019588731 212049455 /nfs/dbraw/zinc/04/94/55/212049455.db2.gz UEBNHOHFVXTBMN-WMLDXEAASA-N 0 0 326.444 2.484 40 0 EEABRN CC(C)CCn1nnnc1[C@@H](c1ccccc1F)N1CCN(C)CC1 ZINC000019447031 212028266 /nfs/dbraw/zinc/02/82/66/212028266.db2.gz MFINMVBRSLUOQE-QGZVFWFLSA-N 0 0 346.454 2.195 40 0 EEABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCc2ccccn2)n1 ZINC000019457528 212030348 /nfs/dbraw/zinc/03/03/48/212030348.db2.gz LFQQNBRASRCADP-NSHDSACASA-N 0 0 344.806 2.431 40 0 EEABRN O=C(NCCc1cnccn1)C1(c2cccc(F)c2)CCOCC1 ZINC000019293648 212013447 /nfs/dbraw/zinc/01/34/47/212013447.db2.gz XMKVVMHCUKJFDG-UHFFFAOYSA-N 0 0 329.375 2.023 40 0 EEABRN Cc1nc(CNC(=O)c2cc(-c3ccncc3)c3cnccc3n2)no1 ZINC000019286065 212010769 /nfs/dbraw/zinc/01/07/69/212010769.db2.gz HNIWNAPBTAMOOR-UHFFFAOYSA-N 0 0 346.350 2.313 40 0 EEABRN Cc1nc(CNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)no1 ZINC000019286062 212009849 /nfs/dbraw/zinc/00/98/49/212009849.db2.gz JHYPXAKLOGDBCP-UHFFFAOYSA-N 0 0 346.350 2.313 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNc1ccc(Br)cn1 ZINC000078340129 217042098 /nfs/dbraw/zinc/04/20/98/217042098.db2.gz ARMNMQBKWYUSDP-UHFFFAOYSA-N 0 0 326.116 2.277 40 0 EEABRN O=C(NC[C@@H]1CCOC1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000078657464 217096605 /nfs/dbraw/zinc/09/66/05/217096605.db2.gz RQVRNQCSFCIVIN-NSHDSACASA-N 0 0 336.392 2.426 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000078663579 217097809 /nfs/dbraw/zinc/09/78/09/217097809.db2.gz WQDWPYBGLGAZIU-CYBMUJFWSA-N 0 0 326.404 2.080 40 0 EEABRN CN(C(=O)c1cccc2[nH]ncc21)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078915026 217147104 /nfs/dbraw/zinc/14/71/04/217147104.db2.gz QFVPFFXPLPVPJH-QGZVFWFLSA-N 0 0 334.379 2.440 40 0 EEABRN O=C(NCc1ccccc1CO)C(=O)Nc1cccc2c1CCCC2 ZINC000078979009 217162632 /nfs/dbraw/zinc/16/26/32/217162632.db2.gz GTNJJNMONFJPOW-UHFFFAOYSA-N 0 0 338.407 2.313 40 0 EEABRN COC(=O)c1coc(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 ZINC000078979143 217162935 /nfs/dbraw/zinc/16/29/35/217162935.db2.gz XFHTXMKDCUGBRF-GOSISDBHSA-N 0 0 342.351 2.342 40 0 EEABRN CCc1ncc(CN(C)c2cnn(C)c(=O)c2Br)s1 ZINC000079034991 217178805 /nfs/dbraw/zinc/17/88/05/217178805.db2.gz DRNZOJLWHVYCOL-UHFFFAOYSA-N 0 0 343.250 2.198 40 0 EEABRN CCN(C(=O)N[C@H](C)c1ccc(F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000079035920 217179092 /nfs/dbraw/zinc/17/90/92/217179092.db2.gz CRNBTOLNYLDKAU-NWDGAFQWSA-N 0 0 330.425 2.351 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000078999596 217171395 /nfs/dbraw/zinc/17/13/95/217171395.db2.gz MFJAQLHCFYYBJI-IRXDYDNUSA-N 0 0 346.475 2.127 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)nn(C)c3C)c2c1 ZINC000079051096 217183304 /nfs/dbraw/zinc/18/33/04/217183304.db2.gz MYNQLOPFBVCRKO-UHFFFAOYSA-N 0 0 340.427 2.428 40 0 EEABRN CC(C)S(=O)(=O)NC[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000079297725 217205033 /nfs/dbraw/zinc/20/50/33/217205033.db2.gz OBIDXMMHELZACM-LLVKDONJSA-N 0 0 349.859 2.418 40 0 EEABRN CCO[C@H]1C[C@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000079350926 217212783 /nfs/dbraw/zinc/21/27/83/217212783.db2.gz JWIWLNQNHUSQAJ-OLZOCXBDSA-N 0 0 335.791 2.474 40 0 EEABRN CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1 ZINC000079440278 217224847 /nfs/dbraw/zinc/22/48/47/217224847.db2.gz MLVPQDKCHSFIFP-UHFFFAOYSA-N 0 0 335.452 2.380 40 0 EEABRN CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1SCCc2sccc21 ZINC000079450262 217226398 /nfs/dbraw/zinc/22/63/98/217226398.db2.gz NAMNMKSAFCUKJC-CQSZACIVSA-N 0 0 334.470 2.275 40 0 EEABRN Fc1cc(I)cc(I)n1 ZINC000071254827 294736868 /nfs/dbraw/zinc/73/68/68/294736868.db2.gz KRVOVWBEMIWSDF-UHFFFAOYSA-N 0 0 348.884 2.430 40 0 EEABRN O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cscn1 ZINC000080426921 217303772 /nfs/dbraw/zinc/30/37/72/217303772.db2.gz VWXKTIAWHCDLES-CQSZACIVSA-N 0 0 330.409 2.391 40 0 EEABRN O=C(C1CCCC1)N1CCN(Cc2nncn2-c2ccccc2)CC1 ZINC000085470506 217671694 /nfs/dbraw/zinc/67/16/94/217671694.db2.gz BHIYGQBQYLIYFS-UHFFFAOYSA-N 0 0 339.443 2.102 40 0 EEABRN O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257262709 284664725 /nfs/dbraw/zinc/66/47/25/284664725.db2.gz LMMXDFPUKFRHRR-VNQPRFMTSA-N 0 0 325.368 2.112 40 0 EEABRN O=C(c1ccnnc1)N1Cc2cncn2[C@H](COCC2CCCC2)C1 ZINC000247870910 296275757 /nfs/dbraw/zinc/27/57/57/296275757.db2.gz QOPHJSIXTSVEND-KRWDZBQOSA-N 0 0 341.415 2.077 40 0 EEABRN COc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)ccn1 ZINC000012234598 211327191 /nfs/dbraw/zinc/32/71/91/211327191.db2.gz OVXKORLBCRXORO-UHFFFAOYSA-N 0 0 349.394 2.223 40 0 EEABRN Cc1cccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000011704579 211238452 /nfs/dbraw/zinc/23/84/52/211238452.db2.gz OEZNTTIHTDSRQD-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN C[C@@H]1CN(Cc2cc(Cl)ccc2Br)C[C@@H](C(N)=O)O1 ZINC000092006439 218103445 /nfs/dbraw/zinc/10/34/45/218103445.db2.gz WIIHHTXNISAZBG-PELKAZGASA-N 0 0 347.640 2.177 40 0 EEABRN Ic1cccnc1NCCOC[C@H]1CCCO1 ZINC000095400233 218334403 /nfs/dbraw/zinc/33/44/03/218334403.db2.gz JYFKGFCRWWDLFW-SNVBAGLBSA-N 0 0 348.184 2.294 40 0 EEABRN Cc1ccc(NCCC(=O)N2CCCS(=O)(=O)CC2)cc1Cl ZINC000095406176 218342018 /nfs/dbraw/zinc/34/20/18/218342018.db2.gz RJAKJBFGUYUVKY-UHFFFAOYSA-N 0 0 344.864 2.098 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000008477627 210955761 /nfs/dbraw/zinc/95/57/61/210955761.db2.gz DXSKLQYFCOXVHU-CQSZACIVSA-N 0 0 326.462 2.456 40 0 EEABRN COc1ccc(C(F)(F)C(=O)NCCc2cccc(C(N)=O)c2)cc1 ZINC000095439447 218382676 /nfs/dbraw/zinc/38/26/76/218382676.db2.gz XHXOMVXDWUBXND-UHFFFAOYSA-N 0 0 348.349 2.245 40 0 EEABRN Cc1sc2ncc(C(=O)Nc3ccnn3CC3CC3)c(=O)n2c1C ZINC000095463108 218403075 /nfs/dbraw/zinc/40/30/75/218403075.db2.gz UNCVZPLKRHRTFY-UHFFFAOYSA-N 0 0 343.412 2.232 40 0 EEABRN CCC[C@H]1c2ccccc2CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC000095450618 218394831 /nfs/dbraw/zinc/39/48/31/218394831.db2.gz UTFIBTQTHOMFQK-HNNXBMFYSA-N 0 0 348.424 2.467 40 0 EEABRN CCOc1cc(CNc2nn[nH]n2)cc(Br)c1OCC ZINC000008253854 210919971 /nfs/dbraw/zinc/91/99/71/210919971.db2.gz NPQMOKKXFTXBBE-UHFFFAOYSA-N 0 0 342.197 2.372 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000007593341 210818437 /nfs/dbraw/zinc/81/84/37/210818437.db2.gz WXBWNTNTOGPLQU-QBFKJGCOSA-N 0 0 347.465 2.121 40 0 EEABRN Cc1cnc2n1CCN(C)C21CCN(C(=O)c2cccs2)CC1 ZINC000096037006 218518964 /nfs/dbraw/zinc/51/89/64/218518964.db2.gz SNOGIPSXYAZOQS-UHFFFAOYSA-N 0 0 330.457 2.330 40 0 EEABRN Cc1cnn(CCCNC(=O)CCN2C(=O)CCc3ccccc32)c1 ZINC000096414373 218771939 /nfs/dbraw/zinc/77/19/39/218771939.db2.gz LHYVSWLYKQLVKM-UHFFFAOYSA-N 0 0 340.427 2.067 40 0 EEABRN O=C1CSc2c(O)n(-c3ccccc3)c(O)c2N1c1ccccc1 ZINC000101981961 285011166 /nfs/dbraw/zinc/01/11/66/285011166.db2.gz YBZLNTFHYHCKBN-CVEARBPZSA-N 0 0 338.388 2.077 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1F ZINC000096420316 218784856 /nfs/dbraw/zinc/78/48/56/218784856.db2.gz QOJOSSUUBOHBFL-MRXNPFEDSA-N 0 0 328.359 2.207 40 0 EEABRN CNC(=O)c1ccccc1OCC(=O)N[C@@H](C)Cc1ccccc1C ZINC000096428851 218802205 /nfs/dbraw/zinc/80/22/05/218802205.db2.gz ICOVACSPVBTNMM-HNNXBMFYSA-N 0 0 340.423 2.481 40 0 EEABRN CCc1cc(N[C@@H](Cn2cncn2)c2ccccc2)n2ncnc2n1 ZINC000096429591 218802940 /nfs/dbraw/zinc/80/29/40/218802940.db2.gz VSTWOERXDQNGKX-HNNXBMFYSA-N 0 0 334.387 2.132 40 0 EEABRN Cc1ccc(-c2nc(CNS(=O)(=O)C3CCOCC3)co2)cc1 ZINC000096444321 218825215 /nfs/dbraw/zinc/82/52/15/218825215.db2.gz KIRCDGDVTYCSMD-UHFFFAOYSA-N 0 0 336.413 2.248 40 0 EEABRN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000096445079 218826835 /nfs/dbraw/zinc/82/68/35/218826835.db2.gz UAHMDNUJSSVJLE-KRWDZBQOSA-N 0 0 336.399 2.368 40 0 EEABRN Cc1nncn1CCNC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000096445374 218827328 /nfs/dbraw/zinc/82/73/28/218827328.db2.gz IJCHYRGDHANYCM-UHFFFAOYSA-N 0 0 331.376 2.279 40 0 EEABRN O=C(NCCCc1ccc(Cl)cc1)NC[C@@]1(O)CCSC1 ZINC000096447326 218830862 /nfs/dbraw/zinc/83/08/62/218830862.db2.gz UEPFYPXNWBGBDC-HNNXBMFYSA-N 0 0 328.865 2.440 40 0 EEABRN C[C@](O)(CNC(=O)NC[C@@]1(C)CCCO1)c1ccccc1Cl ZINC000096503172 218879875 /nfs/dbraw/zinc/87/98/75/218879875.db2.gz FRIAGHRSTLPLOG-CVEARBPZSA-N 0 0 326.824 2.416 40 0 EEABRN C[C@H]1OCCN(C(=O)NCc2cn(C)nc2-c2ccccc2)[C@@H]1C ZINC000096501315 218877185 /nfs/dbraw/zinc/87/71/85/218877185.db2.gz DREYVDDVTWCADZ-ZIAGYGMSSA-N 0 0 328.416 2.406 40 0 EEABRN C[C@H](Cc1ccccc1F)NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103013 218954594 /nfs/dbraw/zinc/95/45/94/218954594.db2.gz ZHJNTBBSAFQNKY-CQSZACIVSA-N 0 0 347.434 2.411 40 0 EEABRN O=C(NC[C@@H]1CCCO1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004984079 210349201 /nfs/dbraw/zinc/34/92/01/210349201.db2.gz VCFDYXVHGICMDE-BQGMYUGNSA-N 0 0 339.395 2.081 40 0 EEABRN C[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@@H]1CCCO1 ZINC000004967018 210342699 /nfs/dbraw/zinc/34/26/99/210342699.db2.gz XEKICIXWAPZEGD-MNOVXSKESA-N 0 0 336.413 2.080 40 0 EEABRN CC(C)(C)C(=O)NC1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000004909097 210319717 /nfs/dbraw/zinc/31/97/17/210319717.db2.gz OBGUYSVSBQWUES-UHFFFAOYSA-N 0 0 335.423 2.391 40 0 EEABRN CCc1ccc([C@@H]2C(C(=O)N(CC)CC)=C(C)Nc3nnnn32)cc1 ZINC000004784560 210276408 /nfs/dbraw/zinc/27/64/08/210276408.db2.gz BNVZQCLFPBWIGI-MRXNPFEDSA-N 0 0 340.431 2.393 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000250232256 257843254 /nfs/dbraw/zinc/84/32/54/257843254.db2.gz FOMPJXDFLLHYGY-TZMCWYRMSA-N 0 0 342.436 2.065 40 0 EEABRN CS(=O)(=O)CC1(CNC(=O)NCc2cccc3ccccc32)CC1 ZINC000178615533 533327879 /nfs/dbraw/zinc/32/78/79/533327879.db2.gz LNNDXXMXHBKNHD-UHFFFAOYSA-N 0 0 346.452 2.464 40 0 EEABRN Cc1cccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC000057363922 132200100 /nfs/dbraw/zinc/20/01/00/132200100.db2.gz RORSBVXAVSCRLX-UHFFFAOYSA-N 0 0 325.412 2.461 40 0 EEABRN O=C(CCn1cc(Cl)cn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000027969055 135740172 /nfs/dbraw/zinc/74/01/72/135740172.db2.gz RTBBLWGFYXJAIK-UHFFFAOYSA-N 0 0 336.798 2.415 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072376968 292176285 /nfs/dbraw/zinc/17/62/85/292176285.db2.gz OVMLBMCVBFCQPY-HNNXBMFYSA-N 0 0 326.400 2.426 40 0 EEABRN COc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1 ZINC000087256431 286289808 /nfs/dbraw/zinc/28/98/08/286289808.db2.gz PBHPQUKYAGHCBO-WMZOPIPTSA-N 0 0 349.394 2.340 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000096181743 287260472 /nfs/dbraw/zinc/26/04/72/287260472.db2.gz LWKYYJFERTWKLC-OAUYIBNBSA-N 0 0 334.391 2.125 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000096181689 277009576 /nfs/dbraw/zinc/00/95/76/277009576.db2.gz MKAJWTZIUMECJS-IAGOWNOFSA-N 0 0 328.343 2.363 40 0 EEABRN O=C(N[C@@H]1CCOc2ccccc21)c1cnc2sccn2c1=O ZINC000044868083 279909700 /nfs/dbraw/zinc/90/97/00/279909700.db2.gz ARAFOIZQJRWNTA-GFCCVEGCSA-N 0 0 327.365 2.010 40 0 EEABRN CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@H](C(=O)c3ccccc3)O[C@H]2O1 ZINC000005841819 281418760 /nfs/dbraw/zinc/41/87/60/281418760.db2.gz INTCVMYMFRDPEA-GCSSGZNBSA-N 0 0 334.368 2.266 40 0 EEABRN CN(C)CN1c2ccccc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635169 289186239 /nfs/dbraw/zinc/18/62/39/289186239.db2.gz KHOXUOMAGAZUNA-NRFANRHFSA-N 0 0 346.434 2.423 40 0 EEABRN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000096467021 289990026 /nfs/dbraw/zinc/99/00/26/289990026.db2.gz SEFVSPBQKZWYGK-TVQRCGJNSA-N 0 0 348.415 2.106 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3[nH]c(C)nc3c2)n1 ZINC000257232374 301025417 /nfs/dbraw/zinc/02/54/17/301025417.db2.gz GKPGVDHINDAGNV-OAHLLOKOSA-N 0 0 325.372 2.117 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCOc2ccccc2C1 ZINC000081563194 302559435 /nfs/dbraw/zinc/55/94/35/302559435.db2.gz LRZVEAIQZKOTHM-UHFFFAOYSA-N 0 0 341.411 2.411 40 0 EEABRN c1ccc(COC[C@@H]2CCC[C@]23CN(c2ncccn2)CCO3)nc1 ZINC000096160967 304854812 /nfs/dbraw/zinc/85/48/12/304854812.db2.gz PIUGROAUXRRODF-LPHOPBHVSA-N 0 0 340.427 2.464 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C(F)F)CC2)[C@@]12CCCO2 ZINC000332846474 312061720 /nfs/dbraw/zinc/06/17/20/312061720.db2.gz HLFXIOKLJHCZHE-IOASZLSFSA-N 0 0 332.391 2.400 40 0 EEABRN O=C(CCn1cncn1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000097236374 323321526 /nfs/dbraw/zinc/32/15/26/323321526.db2.gz WRXPGTVGFVKLOU-LBPRGKRZSA-N 0 0 334.248 2.366 40 0 EEABRN Cc1nc(C(=O)NCC(=O)NCc2ccco2)c(-c2ccccc2)o1 ZINC000097376300 323322365 /nfs/dbraw/zinc/32/23/65/323322365.db2.gz MHZMLMSLNDXXRG-UHFFFAOYSA-N 0 0 339.351 2.289 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000184004866 323416990 /nfs/dbraw/zinc/41/69/90/323416990.db2.gz XREFKZZEZHNSPC-HZMBPMFUSA-N 0 0 344.333 2.130 40 0 EEABRN CN(C)c1ncccc1O[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000252489120 464964974 /nfs/dbraw/zinc/96/49/74/464964974.db2.gz JFYVULMACNBTJP-AWEZNQCLSA-N 0 0 325.416 2.473 40 0 EEABRN Cc1c(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)cnn1C ZINC000296209454 465117351 /nfs/dbraw/zinc/11/73/51/465117351.db2.gz NIBNQOQMFGVCCO-UHFFFAOYSA-N 0 0 343.811 2.268 40 0 EEABRN CN(Cc1nnc2ccccn21)C(=O)CNc1ccccc1Cl ZINC000060331698 462541707 /nfs/dbraw/zinc/54/17/07/462541707.db2.gz STZLLPRNJKXEQW-UHFFFAOYSA-N 0 0 329.791 2.453 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000044946496 462542320 /nfs/dbraw/zinc/54/23/20/462542320.db2.gz BCAWKRAWMCGGOI-UHFFFAOYSA-N 0 0 345.420 2.361 40 0 EEABRN C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(F)c1 ZINC000086164647 462565978 /nfs/dbraw/zinc/56/59/78/462565978.db2.gz RQPURLVEPYDOHN-JTQLQIEISA-N 0 0 329.372 2.379 40 0 EEABRN COC[C@](C)(O)C(=O)N[C@H](C)Cc1ccc(Br)cc1F ZINC000086585095 462579160 /nfs/dbraw/zinc/57/91/60/462579160.db2.gz AZYRGJVOMRYTOA-OTYXRUKQSA-N 0 0 348.212 2.033 40 0 EEABRN OCCN(CCO)c1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000001632218 462584682 /nfs/dbraw/zinc/58/46/82/462584682.db2.gz HLZOKJVKCICYJA-UHFFFAOYSA-N 0 0 348.453 2.002 40 0 EEABRN COc1ccc(-c2c(CO)cc(OC)c(OC)c2OC)c(CO)c1 ZINC000001721271 462586631 /nfs/dbraw/zinc/58/66/31/462586631.db2.gz IFUTVVPOUQLKIV-UHFFFAOYSA-N 0 0 334.368 2.373 40 0 EEABRN CN(Cc1ccc(F)cc1)C(=O)NCc1nnc2n1CCCCC2 ZINC000045571005 462598248 /nfs/dbraw/zinc/59/82/48/462598248.db2.gz DKOFXODCEBOHLM-UHFFFAOYSA-N 0 0 331.395 2.485 40 0 EEABRN CCc1noc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000046087647 462646172 /nfs/dbraw/zinc/64/61/72/462646172.db2.gz HZJRWQBZPZWESX-UHFFFAOYSA-N 0 0 329.356 2.381 40 0 EEABRN CCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1N ZINC000005555182 462662644 /nfs/dbraw/zinc/66/26/44/462662644.db2.gz DBSAVKDYMHUKHD-UHFFFAOYSA-N 0 0 325.825 2.329 40 0 EEABRN Cn1c(CO)cnc1S[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000089690633 462709637 /nfs/dbraw/zinc/70/96/37/462709637.db2.gz ONKXESXFNXIVSZ-OAHLLOKOSA-N 0 0 331.441 2.196 40 0 EEABRN COc1ccc(-n2c(C)nnc2SCC(=O)NCC(C)C)cc1 ZINC000006969556 462713859 /nfs/dbraw/zinc/71/38/59/462713859.db2.gz JCYIQIZFIVHNPJ-UHFFFAOYSA-N 0 0 334.445 2.449 40 0 EEABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2c(C)noc2C)c1 ZINC000008059143 462764867 /nfs/dbraw/zinc/76/48/67/462764867.db2.gz ZQAVBDFQMPZRDD-SECBINFHSA-N 0 0 340.401 2.348 40 0 EEABRN CCc1cc(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)on1 ZINC000012407084 462852969 /nfs/dbraw/zinc/85/29/69/462852969.db2.gz SMZBVVJQHATHQF-UHFFFAOYSA-N 0 0 342.399 2.040 40 0 EEABRN CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076499873 462869821 /nfs/dbraw/zinc/86/98/21/462869821.db2.gz USUGJQRJXGAEQU-OLZOCXBDSA-N 0 0 330.837 2.163 40 0 EEABRN CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1OC)CC2=O ZINC000013637211 462898295 /nfs/dbraw/zinc/89/82/95/462898295.db2.gz WOXZFUBBPNFASE-LLVKDONJSA-N 0 0 341.363 2.473 40 0 EEABRN Cn1ccnc1[C@@H](O)C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000091744989 462902875 /nfs/dbraw/zinc/90/28/75/462902875.db2.gz JAZLKAUGXNRFJP-AWEZNQCLSA-N 0 0 338.358 2.367 40 0 EEABRN COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc(F)cc2)c1 ZINC000014153102 462914471 /nfs/dbraw/zinc/91/44/71/462914471.db2.gz YAAGIUMNSLILML-UHFFFAOYSA-N 0 0 332.331 2.211 40 0 EEABRN C[C@@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000014415571 462927174 /nfs/dbraw/zinc/92/71/74/462927174.db2.gz NHAQNKDEUQPSIX-DAENALEVSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076988938 462931856 /nfs/dbraw/zinc/93/18/56/462931856.db2.gz YWSCAOYVKHWNFC-CZUORRHYSA-N 0 0 338.473 2.082 40 0 EEABRN CC(C)(Br)C(=O)NCCC(=O)Nc1ccccc1F ZINC000015423120 462952686 /nfs/dbraw/zinc/95/26/86/462952686.db2.gz JFSXAHISOBOEIJ-UHFFFAOYSA-N 0 0 331.185 2.444 40 0 EEABRN C[C@H](NC(=O)NCCN1CCOCC1)c1ccc(F)cc1Cl ZINC000077340335 462970763 /nfs/dbraw/zinc/97/07/63/462970763.db2.gz HFAUVQLOHJCEOB-NSHDSACASA-N 0 0 329.803 2.172 40 0 EEABRN C[C@@H](NC(=O)NCCN1CCOCC1)c1ccc(F)cc1Cl ZINC000077340339 462971606 /nfs/dbraw/zinc/97/16/06/462971606.db2.gz HFAUVQLOHJCEOB-LLVKDONJSA-N 0 0 329.803 2.172 40 0 EEABRN Cc1cc(-c2cnc(N3CCC[C@H](O)C3)nc2[C@H]2CCCO2)on1 ZINC000019123648 463014761 /nfs/dbraw/zinc/01/47/61/463014761.db2.gz ZMTJOFJMUYDZFZ-GXTWGEPZSA-N 0 0 330.388 2.253 40 0 EEABRN CCc1ccccc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 ZINC000077842451 463060854 /nfs/dbraw/zinc/06/08/54/463060854.db2.gz URWDSGMEDMIANA-UHFFFAOYSA-N 0 0 330.388 2.053 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000077920977 463072184 /nfs/dbraw/zinc/07/21/84/463072184.db2.gz RXVZMLAVYUQYGV-INIZCTEOSA-N 0 0 328.359 2.207 40 0 EEABRN CCCOc1ccc(S(=O)(=O)N[C@H](CC)CO)cc1OCCC ZINC000095945861 463111751 /nfs/dbraw/zinc/11/17/51/463111751.db2.gz UJBJQTQYXFPAGP-CYBMUJFWSA-N 0 0 345.461 2.313 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000025896689 463143404 /nfs/dbraw/zinc/14/34/04/463143404.db2.gz CKRMZBJJZJOMNZ-VIFPVBQESA-N 0 0 334.800 2.089 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040188 463144720 /nfs/dbraw/zinc/14/47/20/463144720.db2.gz FBPVUXWWSUCAPS-IEBWSBKVSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041790 463146499 /nfs/dbraw/zinc/14/64/99/463146499.db2.gz VNHFSWCRFQSPLD-ZMSDIMECSA-N 0 0 328.368 2.263 40 0 EEABRN Cc1cncc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096041875 463146772 /nfs/dbraw/zinc/14/67/72/463146772.db2.gz JSSHMMDJCLGSEM-LZLYRXPVSA-N 0 0 339.395 2.236 40 0 EEABRN O=C(N1CCCC1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042262 463148262 /nfs/dbraw/zinc/14/82/62/463148262.db2.gz XNWKTTUTGDTHHE-YESZJQIVSA-N 0 0 331.416 2.046 40 0 EEABRN Cc1ccc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)o1 ZINC000096052065 463154878 /nfs/dbraw/zinc/15/48/78/463154878.db2.gz OACJGUNKKLGUIH-AEFFLSMTSA-N 0 0 331.416 2.092 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)N2CCCC2)n1 ZINC000096056652 463158709 /nfs/dbraw/zinc/15/87/09/463158709.db2.gz AAQURBOHMDGXRD-IAGOWNOFSA-N 0 0 342.443 2.171 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ncnc([C@@H]4CCOC4)c3CC2)o1 ZINC000096058677 463159628 /nfs/dbraw/zinc/15/96/28/463159628.db2.gz HCZLBFRKPVBFFK-CYBMUJFWSA-N 0 0 327.384 2.123 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3nccs3)CC2)O1 ZINC000096061169 463161376 /nfs/dbraw/zinc/16/13/76/463161376.db2.gz NJSLCZJACHUNKC-AWEZNQCLSA-N 0 0 335.473 2.183 40 0 EEABRN CCOCc1cncc2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000096067350 463163954 /nfs/dbraw/zinc/16/39/54/463163954.db2.gz RTCWDZKRGWQWTF-UHFFFAOYSA-N 0 0 338.454 2.427 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)c(C)[nH]1 ZINC000096066419 463165025 /nfs/dbraw/zinc/16/50/25/463165025.db2.gz PEMHMMBTVQCNAE-FVQBIDKESA-N 0 0 344.415 2.358 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096073755 463166828 /nfs/dbraw/zinc/16/68/28/463166828.db2.gz FDYHDXULKGKJFP-SCLBCKFNSA-N 0 0 344.390 2.425 40 0 EEABRN c1cncc(CO[C@@H]2CO[C@]3(C2)CCCN(c2cnccn2)C3)c1 ZINC000096073601 463167700 /nfs/dbraw/zinc/16/77/00/463167700.db2.gz TYABHGGHMAJQOI-WMZOPIPTSA-N 0 0 326.400 2.216 40 0 EEABRN O=C(C1CCSCC1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096108746 463177070 /nfs/dbraw/zinc/17/70/70/463177070.db2.gz NDYYMRHRCJOKTR-NVXWUHKLSA-N 0 0 325.474 2.031 40 0 EEABRN COC[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000096110333 463178416 /nfs/dbraw/zinc/17/84/16/463178416.db2.gz HAPMTTPEUHZPEB-CABCVRRESA-N 0 0 345.848 2.156 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnoc3)CC[C@@H]2OC)cc1 ZINC000096110590 463178470 /nfs/dbraw/zinc/17/84/70/463178470.db2.gz QTHRGFHPCYPAAU-YOEHRIQHSA-N 0 0 330.384 2.403 40 0 EEABRN O=C(c1cnc2ccccc2n1)N1CCC(Oc2cccnn2)CC1 ZINC000096119343 463181054 /nfs/dbraw/zinc/18/10/54/463181054.db2.gz PCGIZCDURSNHMQ-UHFFFAOYSA-N 0 0 335.367 2.103 40 0 EEABRN CC(C)NC(=O)CCNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079043526 463182735 /nfs/dbraw/zinc/18/27/35/463182735.db2.gz PVCMUIZBYIRIHR-SNVBAGLBSA-N 0 0 330.787 2.277 40 0 EEABRN CCc1nc([C@H]2CCCN(C(=O)CNc3ccccc3OC)C2)no1 ZINC000079046701 463182992 /nfs/dbraw/zinc/18/29/92/463182992.db2.gz DEJHYPCJWYDDSW-ZDUSSCGKSA-N 0 0 344.415 2.459 40 0 EEABRN CN1c2ccccc2C2(CCN(C(=O)Cc3ccccn3)CC2)C1=O ZINC000096161101 463192094 /nfs/dbraw/zinc/19/20/94/463192094.db2.gz OWIRROMHDZENGN-UHFFFAOYSA-N 0 0 335.407 2.161 40 0 EEABRN Cc1cn2c(ncc(C(=O)N[C@](C)(CO)C3CCCCC3)c2=O)s1 ZINC000157981258 463192507 /nfs/dbraw/zinc/19/25/07/463192507.db2.gz MAKGELQILXZGKI-QGZVFWFLSA-N 0 0 349.456 2.126 40 0 EEABRN CCn1nc(C)cc1NC(=O)c1nnn(Cc2ccccc2)c1OC ZINC000096183443 463196355 /nfs/dbraw/zinc/19/63/55/463196355.db2.gz NIQLNGWRZDRAAW-UHFFFAOYSA-N 0 0 340.387 2.112 40 0 EEABRN COCCc1nnc(SCc2ccc(Br)s2)n1N ZINC000096430382 463260454 /nfs/dbraw/zinc/26/04/54/463260454.db2.gz WUCYEWZUIFWTGL-UHFFFAOYSA-N 0 0 349.279 2.297 40 0 EEABRN CCc1cnc(N2CCc3ncc(CNc4ccccn4)n3CC2)nc1 ZINC000096197113 463203386 /nfs/dbraw/zinc/20/33/86/463203386.db2.gz PKPONUXRFBGLLJ-UHFFFAOYSA-N 0 0 349.442 2.305 40 0 EEABRN Cc1ccoc1C(=O)NC[C@@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC000096199279 463204208 /nfs/dbraw/zinc/20/42/08/463204208.db2.gz BUPJZQUNKGOYOG-CQSZACIVSA-N 0 0 338.367 2.175 40 0 EEABRN c1csc(CN2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)n1 ZINC000096206076 463208210 /nfs/dbraw/zinc/20/82/10/463208210.db2.gz NJPKXUWQJACXFW-WBMJQRKESA-N 0 0 332.429 2.095 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096205943 463208773 /nfs/dbraw/zinc/20/87/73/463208773.db2.gz BTZSXGZJYLXVJL-WMZOPIPTSA-N 0 0 331.416 2.300 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219194 463216530 /nfs/dbraw/zinc/21/65/30/463216530.db2.gz DYXDXSKRAVXKAK-KBXCAEBGSA-N 0 0 342.374 2.101 40 0 EEABRN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000028223186 463219824 /nfs/dbraw/zinc/21/98/24/463219824.db2.gz OSRVZZKUIAHWGV-NSHDSACASA-N 0 0 337.228 2.356 40 0 EEABRN O=C(c1cc[nH]n1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226281 463220750 /nfs/dbraw/zinc/22/07/50/463220750.db2.gz DPAAVYJVOBRCKL-SFHVURJKSA-N 0 0 344.390 2.060 40 0 EEABRN CCC(=O)N1CCC[C@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 ZINC000096225166 463221257 /nfs/dbraw/zinc/22/12/57/463221257.db2.gz IQUKGBDXEWIUGC-SFHVURJKSA-N 0 0 345.399 2.181 40 0 EEABRN c1csc(N2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)n1 ZINC000096228888 463221890 /nfs/dbraw/zinc/22/18/90/463221890.db2.gz YHTUCCUZMCAEDI-MRXNPFEDSA-N 0 0 331.445 2.057 40 0 EEABRN CCOC(=O)NCCNC(=O)/C=C/c1csc(Br)c1 ZINC000096407556 463240784 /nfs/dbraw/zinc/24/07/84/463240784.db2.gz UPLDJPRZJPMTFY-ONEGZZNKSA-N 0 0 347.234 2.386 40 0 EEABRN O=S(=O)(Cc1cccc(Br)c1)C[C@@H](O)C(F)(F)F ZINC000158594044 463242956 /nfs/dbraw/zinc/24/29/56/463242956.db2.gz BBQJTAGHGRJJFC-SECBINFHSA-N 0 0 347.152 2.287 40 0 EEABRN COc1ccc(NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cc1C ZINC000096410609 463243664 /nfs/dbraw/zinc/24/36/64/463243664.db2.gz GWOTWFWDWGVOFC-HNNXBMFYSA-N 0 0 331.420 2.162 40 0 EEABRN Cn1cc(C(=O)OC[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cn1 ZINC000096413661 463246124 /nfs/dbraw/zinc/24/61/24/463246124.db2.gz XEXSQBHQGGFVJL-WBMJQRKESA-N 0 0 347.802 2.450 40 0 EEABRN O=C(CCc1cccc(F)c1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414034 463247025 /nfs/dbraw/zinc/24/70/25/463247025.db2.gz YSUJHNFJDVTMNJ-LBPRGKRZSA-N 0 0 332.297 2.038 40 0 EEABRN O=C(CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415728 463248019 /nfs/dbraw/zinc/24/80/19/463248019.db2.gz BXQDEDKVOOXXME-RDJZCZTQSA-N 0 0 348.418 2.016 40 0 EEABRN COc1ccc([C@H]2C[C@H](C)N(S(=O)(=O)c3c[nH]nc3C)C2)cc1 ZINC000096415047 463248218 /nfs/dbraw/zinc/24/82/18/463248218.db2.gz HCORDIQVKQLUGT-FZMZJTMJSA-N 0 0 335.429 2.293 40 0 EEABRN Cc1occc1CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000096418294 463250156 /nfs/dbraw/zinc/25/01/56/463250156.db2.gz VHMJWCRISMUOBC-UHFFFAOYSA-N 0 0 343.351 2.443 40 0 EEABRN C[C@H](NS(C)(=O)=O)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000096417856 463250653 /nfs/dbraw/zinc/25/06/53/463250653.db2.gz SZFUGRUFQYEPMI-LBPRGKRZSA-N 0 0 344.502 2.004 40 0 EEABRN CCc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000029508238 463259584 /nfs/dbraw/zinc/25/95/84/463259584.db2.gz PQWQZHQVUOEHJR-UHFFFAOYSA-N 0 0 334.397 2.157 40 0 EEABRN Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)CCO2)n1 ZINC000096432806 463261399 /nfs/dbraw/zinc/26/13/99/463261399.db2.gz BBLIFADVBXROLT-INIZCTEOSA-N 0 0 348.834 2.018 40 0 EEABRN Cc1csc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000096435937 463263712 /nfs/dbraw/zinc/26/37/12/463263712.db2.gz RBXCOLBITMMJJQ-MRXNPFEDSA-N 0 0 345.468 2.359 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)NC[C@@](C)(O)c2cnn(C)c2)cc1 ZINC000096437415 463264722 /nfs/dbraw/zinc/26/47/22/463264722.db2.gz PSFLTRVZRLGTKE-GOSISDBHSA-N 0 0 340.383 2.021 40 0 EEABRN O=C(NC[C@H](O)C1CCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096436637 463264802 /nfs/dbraw/zinc/26/48/02/463264802.db2.gz WSXKXNATKSXDIG-SFHVURJKSA-N 0 0 344.455 2.206 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000096445293 463269612 /nfs/dbraw/zinc/26/96/12/463269612.db2.gz FFFAHZZVHBYICX-SCZZXKLOSA-N 0 0 330.215 2.366 40 0 EEABRN COc1cc(CN2CCN(c3nc(C)ns3)CC2)cc(OC)c1 ZINC000096447482 463271263 /nfs/dbraw/zinc/27/12/63/463271263.db2.gz IEMIPDWGXSHZJI-UHFFFAOYSA-N 0 0 334.445 2.186 40 0 EEABRN C[C@]1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCC[C@@H]1O ZINC000096450850 463272937 /nfs/dbraw/zinc/27/29/37/463272937.db2.gz DVKDSKGHPOJEOR-BLLLJJGKSA-N 0 0 332.429 2.271 40 0 EEABRN NC(=O)c1cccnc1N1CCN(c2ccnc3ccsc32)CC1 ZINC000096453642 463274427 /nfs/dbraw/zinc/27/44/27/463274427.db2.gz JYBQKICOLPXZPU-UHFFFAOYSA-N 0 0 339.424 2.117 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)N(c1cc(C)ccc1C)C(C)C ZINC000096456237 463275663 /nfs/dbraw/zinc/27/56/63/463275663.db2.gz SHHOZWFHYOIQEV-UHFFFAOYSA-N 0 0 326.462 2.326 40 0 EEABRN CC[C@H]1C(=O)NCCN1C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000096466367 463278253 /nfs/dbraw/zinc/27/82/53/463278253.db2.gz NSQBXVWRHUWNGE-HNNXBMFYSA-N 0 0 334.395 2.168 40 0 EEABRN Cc1[nH]ccc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470963 463278880 /nfs/dbraw/zinc/27/88/80/463278880.db2.gz FQEQGLBEEHMJNL-ZWKOTPCHSA-N 0 0 325.412 2.049 40 0 EEABRN COC(=O)CCC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000096470650 463278948 /nfs/dbraw/zinc/27/89/48/463278948.db2.gz QFQRMHCDAMPGEC-JTQLQIEISA-N 0 0 328.206 2.450 40 0 EEABRN O=S(=O)(c1ccc2c(c1)N(Cc1cscn1)CC2)N1CCCC1 ZINC000096483375 463282633 /nfs/dbraw/zinc/28/26/33/463282633.db2.gz IWMNCZVJKKRYML-UHFFFAOYSA-N 0 0 349.481 2.490 40 0 EEABRN CC1=C(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCCO1 ZINC000096484860 463283484 /nfs/dbraw/zinc/28/34/84/463283484.db2.gz CAVAZQAPYKXTGL-GOSISDBHSA-N 0 0 344.455 2.131 40 0 EEABRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1 ZINC000096493289 463288034 /nfs/dbraw/zinc/28/80/34/463288034.db2.gz MPGADRLGWPETJB-CVEARBPZSA-N 0 0 340.370 2.209 40 0 EEABRN COC(C)(C)C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096492998 463288078 /nfs/dbraw/zinc/28/80/78/463288078.db2.gz CSNXPTWVZRKZRT-UHFFFAOYSA-N 0 0 327.428 2.436 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096503294 463293278 /nfs/dbraw/zinc/29/32/78/463293278.db2.gz WAHMZKDKUXCPMP-YWPUVAFDSA-N 0 0 338.370 2.289 40 0 EEABRN CN(C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C(C1CC1)C1CC1 ZINC000096502591 463293328 /nfs/dbraw/zinc/29/33/28/463293328.db2.gz RGIDXAWRXBWKGJ-MRXNPFEDSA-N 0 0 342.443 2.407 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)C(=O)c1cccc(F)c1 ZINC000096518166 463293603 /nfs/dbraw/zinc/29/36/03/463293603.db2.gz USYYWYMBICDGSR-VIFPVBQESA-N 0 0 329.574 2.341 40 0 EEABRN Cc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000031108675 463325036 /nfs/dbraw/zinc/32/50/36/463325036.db2.gz WGWAUPADOZXQKN-UHFFFAOYSA-N 0 0 344.436 2.247 40 0 EEABRN Cc1cc(C)c(C(=O)OCCc2c[nH]nc2C(F)(F)F)c(=O)[nH]1 ZINC000097374861 463356501 /nfs/dbraw/zinc/35/65/01/463356501.db2.gz SSRJLFDYAANCKV-UHFFFAOYSA-N 0 0 329.278 2.133 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)c1cc(C)on1)c1noc(C)n1 ZINC000070982377 463399457 /nfs/dbraw/zinc/39/94/57/463399457.db2.gz HJGBSCCJAGFLFJ-CQSZACIVSA-N 0 0 328.328 2.202 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(c2nccs2)CC1 ZINC000104623308 463416873 /nfs/dbraw/zinc/41/68/73/463416873.db2.gz WWTNAOAFBZDTRG-SOUVJXGZSA-N 0 0 336.505 2.349 40 0 EEABRN CCN(CC)C(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000033876316 463425816 /nfs/dbraw/zinc/42/58/16/463425816.db2.gz RHVVAGQFURHGIS-AWEZNQCLSA-N 0 0 326.462 2.326 40 0 EEABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2ccnc2)nc1 ZINC000040488936 463457031 /nfs/dbraw/zinc/45/70/31/463457031.db2.gz ZCUCZMPFHTZXTR-UHFFFAOYSA-N 0 0 349.394 2.356 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000057378354 463482739 /nfs/dbraw/zinc/48/27/39/463482739.db2.gz AQMKWOBDRQPEEL-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN CCOC(=O)[C@H](C)n1c2ccccc2n([C@@H](C)C(=O)OCC)c1=O ZINC000082086998 463513078 /nfs/dbraw/zinc/51/30/78/463513078.db2.gz DMQZUKDKCSJLTR-RYUDHWBXSA-N 0 0 334.372 2.051 40 0 EEABRN CCN1CC2(CC1=O)CCN(S(=O)(=O)c1ccccc1C)CC2 ZINC000108532426 463609573 /nfs/dbraw/zinc/60/95/73/463609573.db2.gz YBRTWDVFSQDXDI-UHFFFAOYSA-N 0 0 336.457 2.018 40 0 EEABRN CCOC(=O)c1csc(N(C)C(=O)[C@H]2COc3ccccc32)n1 ZINC000177629563 463752200 /nfs/dbraw/zinc/75/22/00/463752200.db2.gz FYBMQILHAKOOKR-NSHDSACASA-N 0 0 332.381 2.459 40 0 EEABRN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000257280450 463760062 /nfs/dbraw/zinc/76/00/62/463760062.db2.gz OKWYVMZNNWNEMS-CQSZACIVSA-N 0 0 326.400 2.232 40 0 EEABRN COc1ccccc1CC1CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC000171016379 463762155 /nfs/dbraw/zinc/76/21/55/463762155.db2.gz WGCWYGLMGNIRTF-UHFFFAOYSA-N 0 0 327.428 2.453 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)ccn1 ZINC000257290862 463763957 /nfs/dbraw/zinc/76/39/57/463763957.db2.gz QEQHLLIORYINOI-INIZCTEOSA-N 0 0 336.399 2.396 40 0 EEABRN c1cnc(Nc2cc(CC3CCN(c4ccncn4)CC3)ncn2)cn1 ZINC000257290203 463764380 /nfs/dbraw/zinc/76/43/80/463764380.db2.gz QBZOFLHHYZEQFZ-UHFFFAOYSA-N 0 0 348.414 2.259 40 0 EEABRN CC(C)c1cc(C(=O)N2CCO[C@@H](c3nccnc3N)C2)cs1 ZINC000257291133 463764618 /nfs/dbraw/zinc/76/46/18/463764618.db2.gz QFUQAJXHEXCPTG-GFCCVEGCSA-N 0 0 332.429 2.457 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257293820 463766430 /nfs/dbraw/zinc/76/64/30/463766430.db2.gz QRHOBYAGCQORAI-OAHLLOKOSA-N 0 0 339.443 2.500 40 0 EEABRN Cc1nc(C(=O)N2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)co1 ZINC000257298188 463767586 /nfs/dbraw/zinc/76/75/86/463767586.db2.gz RKNXYJFYILKGAV-AWEZNQCLSA-N 0 0 343.431 2.324 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)C[C@@H]1c1ccccc1 ZINC000257307446 463771848 /nfs/dbraw/zinc/77/18/48/463771848.db2.gz SYRBHNUUJYDJBJ-GOSISDBHSA-N 0 0 341.411 2.266 40 0 EEABRN CN1C(=O)CCC[C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC[C@H]21 ZINC000257310284 463772056 /nfs/dbraw/zinc/77/20/56/463772056.db2.gz UEMONVYJCKDVJF-GXTWGEPZSA-N 0 0 332.448 2.180 40 0 EEABRN COCC(=O)N1CC[C@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 ZINC000257310156 463772293 /nfs/dbraw/zinc/77/22/93/463772293.db2.gz UDWZQAHTTRQTKK-LBPRGKRZSA-N 0 0 347.444 2.256 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(c3ccccn3)C2)cc(C(=O)N(C)C)n1 ZINC000257310473 463772576 /nfs/dbraw/zinc/77/25/76/463772576.db2.gz UFEVNPQYVQEBMZ-HNNXBMFYSA-N 0 0 339.443 2.341 40 0 EEABRN COCc1ccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)cc1 ZINC000257316849 463774640 /nfs/dbraw/zinc/77/46/40/463774640.db2.gz VHHBDYGSDVEMTR-OAHLLOKOSA-N 0 0 340.427 2.300 40 0 EEABRN COc1ccc(CC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)cc1F ZINC000257315008 463774842 /nfs/dbraw/zinc/77/48/42/463774842.db2.gz UZMVSACCZWQLNF-CQSZACIVSA-N 0 0 333.363 2.008 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)s1 ZINC000257315077 463774960 /nfs/dbraw/zinc/77/49/60/463774960.db2.gz UZUVRXAEBXRULP-GFCCVEGCSA-N 0 0 332.429 2.204 40 0 EEABRN CNC(=O)[C@@]1(CCCc2cccnc2)CCCN(c2ncccn2)C1 ZINC000257322385 463777738 /nfs/dbraw/zinc/77/77/38/463777738.db2.gz WFTUBNCQCSSJEJ-IBGZPJMESA-N 0 0 339.443 2.227 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332393 463780938 /nfs/dbraw/zinc/78/09/38/463780938.db2.gz XXDADMNUVSFFEE-INIZCTEOSA-N 0 0 345.468 2.486 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3cncs3)CCN2C(C)=O)cc1 ZINC000257333954 463782605 /nfs/dbraw/zinc/78/26/05/463782605.db2.gz YDVOLOIQCZBQIK-HNNXBMFYSA-N 0 0 345.424 2.197 40 0 EEABRN COc1cccc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334056 463783341 /nfs/dbraw/zinc/78/33/41/463783341.db2.gz YEILVOXWOLXQJU-HNNXBMFYSA-N 0 0 347.390 2.164 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccc(-n2cccn2)nc1 ZINC000257338554 463784954 /nfs/dbraw/zinc/78/49/54/463784954.db2.gz YXXXZXKSRHITBY-INIZCTEOSA-N 0 0 348.410 2.061 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257340491 463786539 /nfs/dbraw/zinc/78/65/39/463786539.db2.gz ZGJMESZSVDSDKZ-MRXNPFEDSA-N 0 0 348.410 2.304 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257344582 463787877 /nfs/dbraw/zinc/78/78/77/463787877.db2.gz ZXXPRWNTIFQIGF-INIZCTEOSA-N 0 0 338.415 2.366 40 0 EEABRN CSC1(CNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000194899638 463953356 /nfs/dbraw/zinc/95/33/56/463953356.db2.gz LOHQMIFCTRKQFN-NSHDSACASA-N 0 0 339.427 2.456 40 0 EEABRN CCOC[C@@H](O)CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195530239 464071801 /nfs/dbraw/zinc/07/18/01/464071801.db2.gz HWZZQTKOSPVHRP-LSDHHAIUSA-N 0 0 344.249 2.220 40 0 EEABRN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1C ZINC000195555695 464075476 /nfs/dbraw/zinc/07/54/76/464075476.db2.gz BLGRIDCVSTWMDE-JLSDUUJJSA-N 0 0 344.455 2.243 40 0 EEABRN CCO[C@H](C)c1noc(CNC(=O)NC2Cc3ccccc3C2)n1 ZINC000195563580 464077017 /nfs/dbraw/zinc/07/70/17/464077017.db2.gz FJMITABAEZAUMG-LLVKDONJSA-N 0 0 330.388 2.134 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H](O)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000195578254 464080128 /nfs/dbraw/zinc/08/01/28/464080128.db2.gz NUBICWYVZPPSCM-RHSMWYFYSA-N 0 0 349.450 2.250 40 0 EEABRN O=C([N-]S(=O)(=O)c1cccnc1)C1(Cc2ccccc2F)CC1 ZINC000195575722 464080344 /nfs/dbraw/zinc/08/03/44/464080344.db2.gz PUWKUXRACKYNFE-UHFFFAOYSA-N 0 0 334.372 2.049 40 0 EEABRN O=C(Cc1ccc(F)cc1F)Nc1nc2c(s1)C(=O)NCCC2 ZINC000211131318 464102602 /nfs/dbraw/zinc/10/26/02/464102602.db2.gz XHKWMYHBAUQDRE-UHFFFAOYSA-N 0 0 337.351 2.279 40 0 EEABRN CCc1ccc(O[C@@H](CC)C(=O)NCCCN2CCOCC2)cc1 ZINC000222889737 464134934 /nfs/dbraw/zinc/13/49/34/464134934.db2.gz XUTXTWUNYNWZRD-SFHVURJKSA-N 0 0 334.460 2.245 40 0 EEABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C ZINC000223062310 464135631 /nfs/dbraw/zinc/13/56/31/464135631.db2.gz BALBISMTHROCOB-HZPDHXFCSA-N 0 0 330.457 2.429 40 0 EEABRN NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000223296119 464140890 /nfs/dbraw/zinc/14/08/90/464140890.db2.gz FYFMKMJDDWKPJS-UHFFFAOYSA-N 0 0 340.788 2.005 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)c(C)c1 ZINC000224202388 464149583 /nfs/dbraw/zinc/14/95/83/464149583.db2.gz FWPKKIVXPXUDQU-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN CCOc1ccccc1NC(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000224265486 464150180 /nfs/dbraw/zinc/15/01/80/464150180.db2.gz QUZVMQPNGINMAH-UHFFFAOYSA-N 0 0 343.387 2.356 40 0 EEABRN COc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1 ZINC000224351175 464151548 /nfs/dbraw/zinc/15/15/48/464151548.db2.gz GACRBWVULZGLSU-UHFFFAOYSA-N 0 0 341.415 2.404 40 0 EEABRN Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)nn1 ZINC000225462514 464162708 /nfs/dbraw/zinc/16/27/08/464162708.db2.gz MYCRUAWEQUDNTI-CYBMUJFWSA-N 0 0 328.372 2.334 40 0 EEABRN C[C@](O)(CNc1cc(N2CCOCC2)ncn1)c1ccccc1Cl ZINC000225485871 464165715 /nfs/dbraw/zinc/16/57/15/464165715.db2.gz ZDCHOCPTTLZSGB-KRWDZBQOSA-N 0 0 348.834 2.286 40 0 EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000225493005 464166346 /nfs/dbraw/zinc/16/63/46/464166346.db2.gz GOHUHERVWITLIF-INIZCTEOSA-N 0 0 341.411 2.488 40 0 EEABRN CCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC ZINC000225495250 464166687 /nfs/dbraw/zinc/16/66/87/464166687.db2.gz TXVIPRRHAMIIGC-JTQLQIEISA-N 0 0 327.222 2.322 40 0 EEABRN CO[C@@H](C)CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000225513097 464167374 /nfs/dbraw/zinc/16/73/74/464167374.db2.gz QIAGTIKGOCWTMT-VIFPVBQESA-N 0 0 343.221 2.218 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000225562951 464172150 /nfs/dbraw/zinc/17/21/50/464172150.db2.gz WKDMFLRZAASTEJ-LLVKDONJSA-N 0 0 334.782 2.465 40 0 EEABRN C[C@@](O)(CNC(=O)C1CCN(CC(F)F)CC1)c1cccs1 ZINC000225560861 464172762 /nfs/dbraw/zinc/17/27/62/464172762.db2.gz HHYPAPGGUPBDDW-OAHLLOKOSA-N 0 0 332.416 2.049 40 0 EEABRN CCO[C@@H]1C[C@](O)(CNC(=O)Cc2c(F)cccc2F)C1(C)C ZINC000225613129 464175300 /nfs/dbraw/zinc/17/53/00/464175300.db2.gz NPKGDTAHCLNJSG-PBHICJAKSA-N 0 0 327.371 2.190 40 0 EEABRN C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CCC1)c1nnnn1C ZINC000225626742 464176786 /nfs/dbraw/zinc/17/67/86/464176786.db2.gz NKPQJVFVDVJYMJ-LLVKDONJSA-N 0 0 348.838 2.346 40 0 EEABRN C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000292263262 464177982 /nfs/dbraw/zinc/17/79/82/464177982.db2.gz SWSSDFIXOOWEGZ-OUCADQQQSA-N 0 0 328.434 2.338 40 0 EEABRN COc1ccc(OC)c2c1CN(Cc1cnn3ccccc13)C[C@H]2O ZINC000179756117 464182438 /nfs/dbraw/zinc/18/24/38/464182438.db2.gz BVFJHFRPKKUIEH-MRXNPFEDSA-N 0 0 339.395 2.401 40 0 EEABRN COCCn1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)n1 ZINC000188087286 464196820 /nfs/dbraw/zinc/19/68/20/464196820.db2.gz WICNBZRVFKJRCL-CQSZACIVSA-N 0 0 346.406 2.067 40 0 EEABRN CCc1ncnc(N2CCC(C(=O)Nc3cc(C)on3)CC2)c1F ZINC000241383142 464452326 /nfs/dbraw/zinc/45/23/26/464452326.db2.gz MSVAVCDTSLLNBB-UHFFFAOYSA-N 0 0 333.367 2.330 40 0 EEABRN CN(Cc1ncon1)C(=O)[C@@]1(C)CCCCN1C(=O)c1ccccc1 ZINC000241719906 464454556 /nfs/dbraw/zinc/45/45/56/464454556.db2.gz QQRZEDBGBRAOAB-GOSISDBHSA-N 0 0 342.399 2.113 40 0 EEABRN O=C(Cc1ccccc1)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000244273052 464460462 /nfs/dbraw/zinc/46/04/62/464460462.db2.gz WPNWCEGLVYOPEN-UHFFFAOYSA-N 0 0 337.423 2.179 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1nnc2n1CCC2 ZINC000245344023 464471146 /nfs/dbraw/zinc/47/11/46/464471146.db2.gz WYQBKIOQHUYEQB-SPWCGHHHSA-N 0 0 347.463 2.034 40 0 EEABRN Cc1cc(CNC(=O)c2ccc(Br)o2)nc(N(C)C)n1 ZINC000189978215 464577672 /nfs/dbraw/zinc/57/76/72/464577672.db2.gz KJYPPCVXQYXSLX-UHFFFAOYSA-N 0 0 339.193 2.137 40 0 EEABRN Fc1cnc(N2C[C@@H]3OC[C@H](CCOCc4cccnc4)[C@@H]3C2)nc1 ZINC000247496063 464687022 /nfs/dbraw/zinc/68/70/22/464687022.db2.gz CYGKIHJGDZNPMT-XIRDDKMYSA-N 0 0 344.390 2.069 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 ZINC000247848119 464709693 /nfs/dbraw/zinc/70/96/93/464709693.db2.gz HRVCELLBBIIOFZ-JCGIZDLHSA-N 0 0 338.411 2.208 40 0 EEABRN Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000248029627 464723508 /nfs/dbraw/zinc/72/35/08/464723508.db2.gz KWCMBHIYJWBXLR-HUUCEWRRSA-N 0 0 342.443 2.085 40 0 EEABRN CCNC(=O)C1CN(C(=O)c2scc(C)c2Br)C1 ZINC000190962728 464751911 /nfs/dbraw/zinc/75/19/11/464751911.db2.gz RNHCVOCZHFJKNK-UHFFFAOYSA-N 0 0 331.235 2.027 40 0 EEABRN C[C@H](CNC(=O)NC[C@H]1CC[C@@H](O)C1)c1nc(-c2ccccc2)no1 ZINC000248979816 464826161 /nfs/dbraw/zinc/82/61/61/464826161.db2.gz VCDUMLFYIAHAMI-VNHYZAJKSA-N 0 0 344.415 2.300 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000249368951 464867604 /nfs/dbraw/zinc/86/76/04/464867604.db2.gz OTCLZZRNHZMKSO-FVQBIDKESA-N 0 0 335.452 2.119 40 0 EEABRN Brc1cccnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000252480262 464960044 /nfs/dbraw/zinc/96/00/44/464960044.db2.gz BZCVYYIXYQGITQ-LBPRGKRZSA-N 0 0 326.238 2.003 40 0 EEABRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NCC(F)(F)F ZINC000252482881 464962112 /nfs/dbraw/zinc/96/21/12/464962112.db2.gz DPQJGSRDDGNOMK-UHFFFAOYSA-N 0 0 345.321 2.151 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000252489357 464965995 /nfs/dbraw/zinc/96/59/95/464965995.db2.gz JORMQEXDFAJKFS-QGZVFWFLSA-N 0 0 331.391 2.433 40 0 EEABRN COC(C)(C)C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000252499150 464971206 /nfs/dbraw/zinc/97/12/06/464971206.db2.gz RWEFRSBASFLSGD-SFHVURJKSA-N 0 0 345.399 2.275 40 0 EEABRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)CC3 ZINC000253369842 464994347 /nfs/dbraw/zinc/99/43/47/464994347.db2.gz IRIQDWQNWXPFLP-VEVIJQCQSA-N 0 0 348.468 2.430 40 0 EEABRN COCc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c(OC)co2)o1 ZINC000253395161 464999250 /nfs/dbraw/zinc/99/92/50/464999250.db2.gz GJUBVDBGUCOAEK-GFCCVEGCSA-N 0 0 333.340 2.365 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CN(C)c2nc3ccccc3o2)CC1 ZINC000253397065 465000340 /nfs/dbraw/zinc/00/03/40/465000340.db2.gz HWOLUHAZSAUSGN-UHFFFAOYSA-N 0 0 345.399 2.066 40 0 EEABRN CCc1nc2sccc2c(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000253415536 465005080 /nfs/dbraw/zinc/00/50/80/465005080.db2.gz CZSKZDXKSMFIOP-FVMDXXJSSA-N 0 0 345.428 2.044 40 0 EEABRN O=S1(=O)CC[C@H](CN2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000253430986 465013272 /nfs/dbraw/zinc/01/32/72/465013272.db2.gz GHMLEYPFOAKBOM-CYBMUJFWSA-N 0 0 343.876 2.058 40 0 EEABRN Cn1ncc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c(Cl)c1=O ZINC000253430357 465013543 /nfs/dbraw/zinc/01/35/43/465013543.db2.gz YWCGEIKGTHCLMM-SNVBAGLBSA-N 0 0 335.795 2.078 40 0 EEABRN Cc1cnn(CC(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)c1 ZINC000331402287 466065604 /nfs/dbraw/zinc/06/56/04/466065604.db2.gz DJLLQWOYWWHKPB-LLVKDONJSA-N 0 0 327.310 2.237 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000306129618 466488790 /nfs/dbraw/zinc/48/87/90/466488790.db2.gz IIGFGCQYAQVJQZ-KRWDZBQOSA-N 0 0 330.428 2.438 40 0 EEABRN Fc1ccc2c(c1F)CN(c1nccc(N[C@@H]3CCCOC3)n1)CC2 ZINC000333272661 466613503 /nfs/dbraw/zinc/61/35/03/466613503.db2.gz NYZPQBOGZNGTBL-CYBMUJFWSA-N 0 0 346.381 2.908 40 0 EEABRN O=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408535006 466680068 /nfs/dbraw/zinc/68/00/68/466680068.db2.gz SAEYPRAEZVMMGS-UHFFFAOYSA-N 0 0 337.383 2.163 40 0 EEABRN COc1ccc(Br)c(CN(C)Cc2cn(C)nn2)c1 ZINC000429296265 467322288 /nfs/dbraw/zinc/32/22/88/467322288.db2.gz ADGUPFCEHGHHLI-UHFFFAOYSA-N 0 0 325.210 2.218 40 0 EEABRN CS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2)cc1Cl ZINC000390835111 467414793 /nfs/dbraw/zinc/41/47/93/467414793.db2.gz CWNHPKZTBGQMGZ-UHFFFAOYSA-N 0 0 339.800 2.379 40 0 EEABRN CCOCC(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414695 468143402 /nfs/dbraw/zinc/14/34/02/468143402.db2.gz JFJLVQBDSBBHDO-CQSZACIVSA-N 0 0 345.848 2.065 40 0 EEABRN COc1nc(CNC(=O)c2ccc(Cl)cc2Cl)nc(OC)n1 ZINC000575603277 468145094 /nfs/dbraw/zinc/14/50/94/468145094.db2.gz BZDZYDUIYLGYQT-UHFFFAOYSA-N 0 0 343.170 2.126 40 0 EEABRN Cc1noc(C)c1CC(=O)NC[C@H](c1cccs1)n1cccn1 ZINC000575606146 468146573 /nfs/dbraw/zinc/14/65/73/468146573.db2.gz SGTQWADBSAAQDT-CQSZACIVSA-N 0 0 330.413 2.498 40 0 EEABRN O=C(CSc1ccncc1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575606137 468146737 /nfs/dbraw/zinc/14/67/37/468146737.db2.gz SGLZMRVAXGHQIE-ZDUSSCGKSA-N 0 0 330.413 2.034 40 0 EEABRN O=C(NCc1ccnc(N2CCCC2=O)c1)NCc1ccccc1F ZINC000575609345 468147872 /nfs/dbraw/zinc/14/78/72/468147872.db2.gz WFPKBFCZYQPVOJ-UHFFFAOYSA-N 0 0 342.374 2.347 40 0 EEABRN O=C(C1CCC1)N1C[C@@]2(CCN(c3cccnc3)C2=O)CC(F)(F)C1 ZINC000585093070 468962717 /nfs/dbraw/zinc/96/27/17/468962717.db2.gz SJGDIIDPWDIYEG-QGZVFWFLSA-N 0 0 349.381 2.472 40 0 EEABRN Cn1cnc2c1C[C@H](CO)N(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000585094721 468963000 /nfs/dbraw/zinc/96/30/00/468963000.db2.gz JEXBXDILMUJYBF-GFCCVEGCSA-N 0 0 345.786 2.379 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1ccc3ncccc3c1)[C@@H]2C ZINC000585097679 468965857 /nfs/dbraw/zinc/96/58/57/468965857.db2.gz PIQFCMORMSFBOJ-GFCCVEGCSA-N 0 0 337.383 2.190 40 0 EEABRN CC(C)N1C[C@@]2(CC1=O)COCCN(c1ncnc3ccsc31)C2 ZINC000585103253 468970879 /nfs/dbraw/zinc/97/08/79/468970879.db2.gz APXDUEYUYIDUGW-KRWDZBQOSA-N 0 0 346.456 2.155 40 0 EEABRN O=C(c1ccnc(F)c1)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000585108766 468973972 /nfs/dbraw/zinc/97/39/72/468973972.db2.gz BAMRUMIVAMENCR-ZMSDIMECSA-N 0 0 343.358 2.067 40 0 EEABRN O=C(Cc1nnc[nH]1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000585140969 468990298 /nfs/dbraw/zinc/99/02/98/468990298.db2.gz MSURBGYGORDANA-UHFFFAOYSA-N 0 0 326.278 2.225 40 0 EEABRN Cc1nccc(OC2CCN(C(=O)c3noc4c3CCCC4)CC2)n1 ZINC000585147008 468991933 /nfs/dbraw/zinc/99/19/33/468991933.db2.gz KXOGFTBBSNPCBT-UHFFFAOYSA-N 0 0 342.399 2.335 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2c2cccnc2)c(C)c1 ZINC000585141910 468991956 /nfs/dbraw/zinc/99/19/56/468991956.db2.gz IGMZPAGFAJSOTQ-HOCLYGCPSA-N 0 0 332.425 2.481 40 0 EEABRN Cc1noc(C)c1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585149248 468992657 /nfs/dbraw/zinc/99/26/57/468992657.db2.gz AZXLNZBYWLSEKU-UHFFFAOYSA-N 0 0 341.337 2.422 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2nonc2C)C[C@H]1Cc1cccc(F)c1 ZINC000585278464 469003728 /nfs/dbraw/zinc/00/37/28/469003728.db2.gz SRVPARWULLUPLP-RHSMWYFYSA-N 0 0 347.390 2.166 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)CCCn2ccnc2)C[C@H]1O ZINC000585278371 469003792 /nfs/dbraw/zinc/00/37/92/469003792.db2.gz CSADQYSPKJUDFN-RTBURBONSA-N 0 0 341.455 2.424 40 0 EEABRN COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccccc1C(F)(F)F ZINC000585279794 469006051 /nfs/dbraw/zinc/00/60/51/469006051.db2.gz YOPBVEOCKLGMSV-HNNXBMFYSA-N 0 0 344.333 2.202 40 0 EEABRN Cc1ccc(C[C@H]2CCN(C(=O)c3cccnc3N)C[C@H]2O)cc1 ZINC000585279889 469006434 /nfs/dbraw/zinc/00/64/34/469006434.db2.gz SNULJAFOHSIKHD-NVXWUHKLSA-N 0 0 325.412 2.038 40 0 EEABRN Cc1cccnc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585285616 469008484 /nfs/dbraw/zinc/00/84/84/469008484.db2.gz PODKGQDFXSCDMN-QGPMSJSTSA-N 0 0 326.396 2.338 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cncc(C)n3)[C@H]2O)cc1 ZINC000585285819 469009577 /nfs/dbraw/zinc/00/95/77/469009577.db2.gz SIDYOKIRFUBHEC-ZTFGCOKTSA-N 0 0 341.411 2.042 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnco2)C[C@]12C[C@@H](c1ccccc1)CO2 ZINC000585288232 469009766 /nfs/dbraw/zinc/00/97/66/469009766.db2.gz SEECERRNSMSRDI-QGPMSJSTSA-N 0 0 328.368 2.088 40 0 EEABRN COc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1 ZINC000605146756 469543920 /nfs/dbraw/zinc/54/39/20/469543920.db2.gz XQYFMLSRNAZYFR-UHFFFAOYSA-N 0 0 341.415 2.352 40 0 EEABRN COc1ccc(-c2nnc(N3CCN(C(=O)C4CC4)CC3)s2)cc1 ZINC000643181232 470621011 /nfs/dbraw/zinc/62/10/11/470621011.db2.gz DDEUWYPEMJJYBY-UHFFFAOYSA-N 0 0 344.440 2.272 40 0 EEABRN C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)[C@H](c2ccccc2)CO1 ZINC000679445114 485697369 /nfs/dbraw/zinc/69/73/69/485697369.db2.gz OYVZKVWRVMIGQS-BBRMVZONSA-N 0 0 326.400 2.145 40 0 EEABRN CC(=O)N1CCN(c2cccc(NC(=O)c3cscn3)c2)CC1 ZINC000189341176 500571500 /nfs/dbraw/zinc/57/15/00/500571500.db2.gz KVVRUQNSWFXZIK-UHFFFAOYSA-N 0 0 330.413 2.064 40 0 EEABRN CC(C)c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1C ZINC000001356049 519890771 /nfs/dbraw/zinc/89/07/71/519890771.db2.gz DRGJUOXSJYWXLW-UHFFFAOYSA-N 0 0 348.428 2.076 40 0 EEABRN COCC(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000001345964 522757018 /nfs/dbraw/zinc/75/70/18/522757018.db2.gz KPNFQZRNFPPETK-UHFFFAOYSA-N 0 0 341.864 2.264 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2c2cncc(C)n2)ccn1 ZINC000257243833 534683756 /nfs/dbraw/zinc/68/37/56/534683756.db2.gz IITHKISMURBWOV-OAHLLOKOSA-N 0 0 325.372 2.116 40 0 EEABRN Cc1cnn(CCNC(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000172292904 534743815 /nfs/dbraw/zinc/74/38/15/534743815.db2.gz VNRCVNBFSCAWQG-UHFFFAOYSA-N 0 0 347.850 2.377 40 0 EEABRN CC(=O)N1CCN(Cc2ccccc2NC(=O)N(C)C(C)C)CC1 ZINC000186871035 526632731 /nfs/dbraw/zinc/63/27/31/526632731.db2.gz NBRSYCNLKBAIKP-UHFFFAOYSA-N 0 0 332.448 2.223 40 0 EEABRN CCCn1c(C)nnc1CN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000153975325 528814977 /nfs/dbraw/zinc/81/49/77/528814977.db2.gz CIGRRKFXGNRZSP-CQSZACIVSA-N 0 0 346.431 2.063 40 0 EEABRN CC(C)c1cc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)on1 ZINC000257242720 535353390 /nfs/dbraw/zinc/35/33/90/535353390.db2.gz IDVCFQBUGGSISI-AWEZNQCLSA-N 0 0 330.388 2.062 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(=O)NC(C)C ZINC000225209650 536877025 /nfs/dbraw/zinc/87/70/25/536877025.db2.gz HFTYNKKDZJVTBV-LBPRGKRZSA-N 0 0 342.461 2.156 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225899714 536891980 /nfs/dbraw/zinc/89/19/80/536891980.db2.gz VJJRSYWOFWHKEM-UHFFFAOYSA-N 0 0 329.857 2.053 40 0 EEABRN COC(=O)[C@H]1C[C@@H]2C(=O)CCC[C@@H]2N1C(=O)OCc1ccccc1 ZINC001547139828 1124224032 /nfs/dbraw/zinc/22/40/32/1124224032.db2.gz RKBFGLSWCYFRKN-SOUVJXGZSA-N 0 0 331.368 2.308 40 0 EEABRN COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2ccco2)c1=O ZINC001547208864 1124226447 /nfs/dbraw/zinc/22/64/47/1124226447.db2.gz RBGPXLYKKAOYDO-ZDUSSCGKSA-N 0 0 349.383 2.187 40 0 EEABRN O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000054276298 214229335 /nfs/dbraw/zinc/22/93/35/214229335.db2.gz YTUBJIMSVIQGCJ-JZXOWHBKSA-N 0 0 338.455 2.415 40 0 EEABRN NC(=O)COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000097995898 219066630 /nfs/dbraw/zinc/06/66/30/219066630.db2.gz SBWDLVIKPSXXSK-OQLLNIDSSA-N 0 0 340.310 2.034 40 0 EEABRN COc1ccccc1S(=O)(=O)NC1(c2noc(C)n2)CCCC1 ZINC000059829231 214623953 /nfs/dbraw/zinc/62/39/53/214623953.db2.gz XGDXDAOCLFVDHJ-UHFFFAOYSA-N 0 0 337.401 2.134 40 0 EEABRN CN(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000059993453 214627039 /nfs/dbraw/zinc/62/70/39/214627039.db2.gz RAPRZGWNGOTUPA-UHFFFAOYSA-N 0 0 334.322 2.446 40 0 EEABRN O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000049546834 214016974 /nfs/dbraw/zinc/01/69/74/214016974.db2.gz PAYBRUHLIHKCIH-RDBSUJKOSA-N 0 0 341.436 2.300 40 0 EEABRN CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708094 529703007 /nfs/dbraw/zinc/70/30/07/529703007.db2.gz GSIDZHHCWSORRB-LBPRGKRZSA-N 0 0 331.416 2.212 40 0 EEABRN COc1ccc2nc(OC3CCN(S(C)(=O)=O)CC3)sc2c1 ZINC000049444474 214008184 /nfs/dbraw/zinc/00/81/84/214008184.db2.gz GQCAFXSWGFJCIO-UHFFFAOYSA-N 0 0 342.442 2.108 40 0 EEABRN CCOC(=O)CS[C@@H]1CC(=O)N(c2ccccc2OCC)C1=O ZINC000101273908 219120760 /nfs/dbraw/zinc/12/07/60/219120760.db2.gz GKGSVEOYKLAWSA-CYBMUJFWSA-N 0 0 337.397 2.014 40 0 EEABRN COC(=O)c1ccc(N2CCCC2)c(NC(=O)Nc2cnn(C)c2)c1 ZINC000048072889 213886720 /nfs/dbraw/zinc/88/67/20/213886720.db2.gz MQPHMDUCHQWJFH-UHFFFAOYSA-N 0 0 343.387 2.451 40 0 EEABRN CC(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000065568760 214965151 /nfs/dbraw/zinc/96/51/51/214965151.db2.gz CXDIKMJLPKHDJL-SNVBAGLBSA-N 0 0 325.206 2.327 40 0 EEABRN COCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1 ZINC000067897952 215245721 /nfs/dbraw/zinc/24/57/21/215245721.db2.gz KJUVAMNQHHGHQI-UHFFFAOYSA-N 0 0 339.395 2.471 40 0 biogenic,in-vitro EEABRN CC(=O)NCc1ccc(C(=O)NCc2cn3c(cccc3C)n2)s1 ZINC000068568889 215318197 /nfs/dbraw/zinc/31/81/97/215318197.db2.gz WOILODWGHPDVAD-UHFFFAOYSA-N 0 0 342.424 2.270 40 0 EEABRN Cc1oc(-c2ccccc2)nc1C(=O)NCCN1C(=O)CSC1=O ZINC000040554802 213349254 /nfs/dbraw/zinc/34/92/54/213349254.db2.gz RIPWQBIGNOCGLA-UHFFFAOYSA-N 0 0 345.380 2.075 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000181009112 234061248 /nfs/dbraw/zinc/06/12/48/234061248.db2.gz HFBHVFXHWLPUCB-SJLPKXTDSA-N 0 0 345.468 2.185 40 0 EEABRN O=C(NCCc1nnc2ccccn21)c1cccc(NC(=O)C2CC2)c1 ZINC000040464710 213308400 /nfs/dbraw/zinc/30/84/00/213308400.db2.gz WZILLMYBEPPYEQ-UHFFFAOYSA-N 0 0 349.394 2.050 40 0 EEABRN C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)CCC4)c2)NC(=O)NC1=O ZINC000040111055 213267705 /nfs/dbraw/zinc/26/77/05/213267705.db2.gz PFRAJHCXTCKPIZ-HXUWFJFHSA-N 0 0 349.390 2.482 40 0 EEABRN CCOC(=O)[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000039990560 213249355 /nfs/dbraw/zinc/24/93/55/213249355.db2.gz TVNGFZJQFIDZIY-BBRMVZONSA-N 0 0 336.407 2.421 40 0 EEABRN CCCc1nnsc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2 ZINC000038677923 213220630 /nfs/dbraw/zinc/22/06/30/213220630.db2.gz DWJCEQOPUUNSQF-UHFFFAOYSA-N 0 0 346.412 2.207 40 0 EEABRN O=C(CSc1nncs1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186898850 236057357 /nfs/dbraw/zinc/05/73/57/236057357.db2.gz PSAORPZLGRZAEO-HNNXBMFYSA-N 0 0 333.438 2.288 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000070635278 215700439 /nfs/dbraw/zinc/70/04/39/215700439.db2.gz QSVNNRJCSAKJIR-CQSZACIVSA-N 0 0 329.404 2.059 40 0 EEABRN COc1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 ZINC000035425897 213027820 /nfs/dbraw/zinc/02/78/20/213027820.db2.gz FPINCPAXGHVYMR-LBPRGKRZSA-N 0 0 326.360 2.200 40 0 biogenic,in-vitro EEABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)C1CC1 ZINC000035290503 213018679 /nfs/dbraw/zinc/01/86/79/213018679.db2.gz HGXWMMAZBBXPGJ-CYBMUJFWSA-N 0 0 348.428 2.392 40 0 EEABRN Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000095414390 237050681 /nfs/dbraw/zinc/05/06/81/237050681.db2.gz HKRBFCNKVZQBSF-QHCPKHFHSA-N 0 0 335.429 2.386 40 0 EEABRN CCn1nc(C)c(NC(=O)c2cc(C)nc(N3CCCC3)n2)c1C ZINC000072241124 216079775 /nfs/dbraw/zinc/07/97/75/216079775.db2.gz JKVKNVWFHNOXKI-UHFFFAOYSA-N 0 0 328.420 2.471 40 0 EEABRN CCn1nc(C)c2nnn(Cc3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000072265369 216087115 /nfs/dbraw/zinc/08/71/15/216087115.db2.gz SJROKWREPAIREG-UHFFFAOYSA-N 0 0 337.305 2.383 40 0 EEABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)CC1 ZINC000072322145 216149752 /nfs/dbraw/zinc/14/97/52/216149752.db2.gz VFTOARQPQJUBQA-HNNXBMFYSA-N 0 0 334.464 2.091 40 0 biogenic,in-vitro EEABRN Cc1cc(-c2cnc(N3CCC(O)CC3)nc2[C@H]2CCCO2)on1 ZINC000072324906 216151116 /nfs/dbraw/zinc/15/11/16/216151116.db2.gz JQPIMQMMJGPRNO-CQSZACIVSA-N 0 0 330.388 2.253 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000072363571 216169912 /nfs/dbraw/zinc/16/99/12/216169912.db2.gz DKHYIPLICOCAEA-HNNXBMFYSA-N 0 0 346.456 2.434 40 0 EEABRN Cc1nc([C@H]2CN(c3ccccc3)CCO2)cc(N2CCOCC2)n1 ZINC000072387704 216186916 /nfs/dbraw/zinc/18/69/16/216186916.db2.gz PWSFGKYKYJZOCF-GOSISDBHSA-N 0 0 340.427 2.200 40 0 EEABRN C[C@]1(c2n[nH]cc2S(C)(=O)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000072388755 216189287 /nfs/dbraw/zinc/18/92/87/216189287.db2.gz MRGGXSVOJBRBIQ-KRWDZBQOSA-N 0 0 347.440 2.007 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000072389420 216189997 /nfs/dbraw/zinc/18/99/97/216189997.db2.gz MAUQCCANVIVPIA-QGZVFWFLSA-N 0 0 338.411 2.424 40 0 EEABRN COc1ccccc1C(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028283966 212613520 /nfs/dbraw/zinc/61/35/20/212613520.db2.gz HCJFDWLHTHXKCN-QWHCGFSZSA-N 0 0 348.424 2.432 40 0 EEABRN Cc1ncsc1CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1 ZINC000190213065 238300708 /nfs/dbraw/zinc/30/07/08/238300708.db2.gz ZXSATSMRHWYQHK-GFCCVEGCSA-N 0 0 332.429 2.056 40 0 EEABRN CS(=O)(=O)c1ccccc1N1CC[C@H](OCc2ccncc2)C1 ZINC000192908295 239933230 /nfs/dbraw/zinc/93/32/30/239933230.db2.gz FVSLUYKAZZLONS-HNNXBMFYSA-N 0 0 332.425 2.281 40 0 EEABRN O=C(c1ccncc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1 ZINC000193142400 240035436 /nfs/dbraw/zinc/03/54/36/240035436.db2.gz MCNPIMMXTONYEK-UHFFFAOYSA-N 0 0 341.333 2.185 40 0 EEABRN CCN(CC)C(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000022531544 212306004 /nfs/dbraw/zinc/30/60/04/212306004.db2.gz LXDZWWNFBHRWGP-UHFFFAOYSA-N 0 0 338.473 2.484 40 0 EEABRN CCN(c1ccncc1)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193476092 240178695 /nfs/dbraw/zinc/17/86/95/240178695.db2.gz CWMYPDXOYXNGTR-UHFFFAOYSA-N 0 0 332.425 2.415 40 0 EEABRN Cc1cc(N2CC[C@H](NC(=O)N(CC3CCC3)C(C)C)C2=O)n(C)n1 ZINC000193860347 240338043 /nfs/dbraw/zinc/33/80/43/240338043.db2.gz NTBNAQGVFONUAB-HNNXBMFYSA-N 0 0 347.463 2.054 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2ccccc2)nc(N2CCCCC2)n1 ZINC000211100606 241079501 /nfs/dbraw/zinc/07/95/01/241079501.db2.gz SWEOHHGCVWTKLT-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218483197 241326122 /nfs/dbraw/zinc/32/61/22/241326122.db2.gz AISZBNKRPXIXAP-OBJOEFQTSA-N 0 0 347.889 2.159 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(COC)C(N)=S ZINC000218512053 241328296 /nfs/dbraw/zinc/32/82/96/241328296.db2.gz MECCANAPGGJGMX-MBNYWOFBSA-N 0 0 347.889 2.159 40 0 EEABRN COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000222834077 241567150 /nfs/dbraw/zinc/56/71/50/241567150.db2.gz BILKMRLLBBDIBU-ZDUSSCGKSA-N 0 0 340.851 2.476 40 0 EEABRN CCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)cc1 ZINC000225553212 241925028 /nfs/dbraw/zinc/92/50/28/241925028.db2.gz NLCBHYWIHHKZAG-INIZCTEOSA-N 0 0 342.399 2.275 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000225580886 241935682 /nfs/dbraw/zinc/93/56/82/241935682.db2.gz KWLCLJXLLYIGQB-ZIAGYGMSSA-N 0 0 347.459 2.092 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@@H]2c2nc(-c3ccccc3)no2)no1 ZINC000225715972 242000461 /nfs/dbraw/zinc/00/04/61/242000461.db2.gz OQCNMJXOLHPCTJ-CQSZACIVSA-N 0 0 340.339 2.247 40 0 EEABRN Cc1cc(C)n(CCNC(=O)c2ccnc(O[C@@H]3CCSC3)c2)n1 ZINC000225717819 242001167 /nfs/dbraw/zinc/00/11/67/242001167.db2.gz PXRLHWWYVLWQMJ-OAHLLOKOSA-N 0 0 346.456 2.209 40 0 EEABRN O=C(NCCCN1CCOCC1)c1ccc2sc(Cl)nc2c1 ZINC000225975421 242083059 /nfs/dbraw/zinc/08/30/59/242083059.db2.gz JDNGHUXMXVYQSW-UHFFFAOYSA-N 0 0 339.848 2.402 40 0 EEABRN CS(=O)(=O)N[C@@H](CC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000225944919 242078831 /nfs/dbraw/zinc/07/88/31/242078831.db2.gz RQUDLWKNWSVZRL-HNNXBMFYSA-N 0 0 342.436 2.255 40 0 EEABRN Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CC=C(c3ccccc3)CC1)CC2 ZINC000225740581 242011965 /nfs/dbraw/zinc/01/19/65/242011965.db2.gz GMZSZQPSEHIWLK-KRWDZBQOSA-N 0 0 349.434 2.201 40 0 EEABRN Cc1cc(CNC(=O)[C@@H](C)N2c3ccccc3CCCC2=O)n(C)n1 ZINC000227169218 242127893 /nfs/dbraw/zinc/12/78/93/242127893.db2.gz QGCHBXLWUHWFBU-CQSZACIVSA-N 0 0 340.427 2.103 40 0 EEABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2)o1)S(C)(=O)=O ZINC000020449858 212130258 /nfs/dbraw/zinc/13/02/58/212130258.db2.gz SKLVFJZCIWRPGO-ZHACJKMWSA-N 0 0 334.397 2.323 40 0 EEABRN Cc1cnc(N2CCO[C@H]3[C@H]2CC[C@H]3CNc2cccnc2)nc1 ZINC000253600547 244034567 /nfs/dbraw/zinc/03/45/67/244034567.db2.gz RLGOQWHFLBRYIB-USXIJHARSA-N 0 0 325.416 2.276 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000257200017 244113797 /nfs/dbraw/zinc/11/37/97/244113797.db2.gz ABQWBMZCGSWSQY-AWEZNQCLSA-N 0 0 343.431 2.147 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 ZINC000257208929 244143101 /nfs/dbraw/zinc/14/31/01/244143101.db2.gz BOCNHCCUJBWPBD-HNNXBMFYSA-N 0 0 333.432 2.109 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257210693 244150249 /nfs/dbraw/zinc/15/02/49/244150249.db2.gz BVSKGGWDNKGUHE-ZDUSSCGKSA-N 0 0 347.382 2.020 40 0 EEABRN Cc1nccc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 ZINC000257211713 244152641 /nfs/dbraw/zinc/15/26/41/244152641.db2.gz CABGVHPQZZNZBD-ROUUACIJSA-N 0 0 331.391 2.328 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ccsc2)n1 ZINC000257214113 244161498 /nfs/dbraw/zinc/16/14/98/244161498.db2.gz CKOBPFYVFXFNBN-HNNXBMFYSA-N 0 0 330.413 2.152 40 0 EEABRN COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)c1 ZINC000257246982 244257873 /nfs/dbraw/zinc/25/78/73/244257873.db2.gz IWUXKBJBBXSENC-KZNAEPCWSA-N 0 0 343.427 2.222 40 0 EEABRN C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)NCCO)ccc2O1 ZINC000257241956 244245922 /nfs/dbraw/zinc/24/59/22/244245922.db2.gz IAJXDDQSUPSNGM-IBGZPJMESA-N 0 0 329.371 2.484 40 0 EEABRN Cc1cccnc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257253688 244275871 /nfs/dbraw/zinc/27/58/71/244275871.db2.gz JZVZHCDMUKTZDM-JFIYKMOQSA-N 0 0 341.411 2.218 40 0 EEABRN CNc1cc(CC[C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)ccn1 ZINC000257253537 244276568 /nfs/dbraw/zinc/27/65/68/244276568.db2.gz JZIBBTCXOHCHKF-OAHLLOKOSA-N 0 0 344.415 2.202 40 0 EEABRN O=C(CCCNc1ncccn1)N1CCC2(CC1)CC=CCOC2 ZINC000257275440 244392725 /nfs/dbraw/zinc/39/27/25/244392725.db2.gz NPKIZPZDFMEREO-UHFFFAOYSA-N 0 0 330.432 2.254 40 0 EEABRN C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1cccs1 ZINC000019576332 212046074 /nfs/dbraw/zinc/04/60/74/212046074.db2.gz GZKTYINZUADBEI-PMUMKWKESA-N 0 0 340.404 2.452 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000019496228 212032792 /nfs/dbraw/zinc/03/27/92/212032792.db2.gz SZEMGIWSOSRGQL-WCQYABFASA-N 0 0 346.456 2.249 40 0 EEABRN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)cc1Cl ZINC000077939057 217003827 /nfs/dbraw/zinc/00/38/27/217003827.db2.gz YUZXZDNIDKKVMW-RNCFNFMXSA-N 0 0 328.771 2.085 40 0 EEABRN COc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C)nc2C)c(OC)c1 ZINC000019285725 212009593 /nfs/dbraw/zinc/00/95/93/212009593.db2.gz SCRJUQLBABTJGF-INIZCTEOSA-N 0 0 344.415 2.276 40 0 EEABRN Cc1cnn(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)c1 ZINC000019239911 212008325 /nfs/dbraw/zinc/00/83/25/212008325.db2.gz RTBRYNUVYPBKSG-INIZCTEOSA-N 0 0 336.399 2.340 40 0 EEABRN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc(Cl)n1 ZINC000078549829 217072467 /nfs/dbraw/zinc/07/24/67/217072467.db2.gz CCNWREOUVKPDRY-VIFPVBQESA-N 0 0 342.729 2.183 40 0 EEABRN COc1cc(F)c(NC(=O)CCn2c(C)csc2=O)cc1OC ZINC000078654017 217095943 /nfs/dbraw/zinc/09/59/43/217095943.db2.gz ZQPJFFPLSXNFKC-UHFFFAOYSA-N 0 0 340.376 2.403 40 0 EEABRN COC(=O)c1ccc(-c2noc(Cc3c(C)nn(C)c3C)n2)cc1 ZINC000078775041 217118906 /nfs/dbraw/zinc/11/89/06/217118906.db2.gz FYPHZDYOQSXFON-UHFFFAOYSA-N 0 0 326.356 2.464 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC000078879413 217137463 /nfs/dbraw/zinc/13/74/63/217137463.db2.gz CXOFFWPNFNVOCK-LBPRGKRZSA-N 0 0 348.399 2.197 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)NCCCc1cccc(F)c1 ZINC000079098668 217193580 /nfs/dbraw/zinc/19/35/80/217193580.db2.gz XDVUYWVTRDQYLG-UHFFFAOYSA-N 0 0 344.452 2.271 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc(Br)c1 ZINC000079051772 217183273 /nfs/dbraw/zinc/18/32/73/217183273.db2.gz WFBLLDBYQTVZGD-UHFFFAOYSA-N 0 0 348.262 2.392 40 0 EEABRN COc1ccc(CC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)cc1 ZINC000079334813 217210356 /nfs/dbraw/zinc/21/03/56/217210356.db2.gz TUNMKSWNFVPTDJ-MRXNPFEDSA-N 0 0 330.428 2.003 40 0 EEABRN O=C(NCCc1ccc2c(c1)CCO2)C(=O)Nc1cc(F)ccc1F ZINC000079350670 217212586 /nfs/dbraw/zinc/21/25/86/217212586.db2.gz VOSBWLBRVRIJDF-UHFFFAOYSA-N 0 0 346.333 2.197 40 0 EEABRN Cc1ccc(C[C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccn2)cc1 ZINC000079360652 217214890 /nfs/dbraw/zinc/21/48/90/217214890.db2.gz FPPVTMBTMGKPCZ-SFHVURJKSA-N 0 0 348.406 2.198 40 0 EEABRN Cc1cc(OCC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)no1 ZINC000079362626 217216387 /nfs/dbraw/zinc/21/63/87/217216387.db2.gz FUGRAHKVLWAIHX-CYBMUJFWSA-N 0 0 339.342 2.059 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000015424601 211823570 /nfs/dbraw/zinc/82/35/70/211823570.db2.gz ITYYIBSHVYSJBC-UHFFFAOYSA-N 0 0 346.774 2.342 40 0 EEABRN Cc1ccc(NC(=O)CSCC(=O)N=c2sccn2C)cc1 ZINC000013019792 211513417 /nfs/dbraw/zinc/51/34/17/211513417.db2.gz SUIQNFLRBYRYRI-ICFOKQHNSA-N 0 0 335.454 2.194 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](n2nnc3cc(F)ccc32)C1 ZINC000012184818 211311639 /nfs/dbraw/zinc/31/16/39/211311639.db2.gz XVLMOWSQRRJVEQ-CYBMUJFWSA-N 0 0 342.378 2.090 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H](Cn1nnc2ccccc21)C(C)C ZINC000012141900 211303234 /nfs/dbraw/zinc/30/32/34/211303234.db2.gz WPDDJGZGBMTKEG-AWEZNQCLSA-N 0 0 327.388 2.491 40 0 EEABRN CCc1ncc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121823 211300437 /nfs/dbraw/zinc/30/04/37/211300437.db2.gz QRWZTSUWGFJNKA-UHFFFAOYSA-N 0 0 348.410 2.155 40 0 EEABRN CCc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)c2cc3occc3n21 ZINC000012115463 211294051 /nfs/dbraw/zinc/29/40/51/211294051.db2.gz MNKBLAXCXWMKOD-LBPRGKRZSA-N 0 0 342.399 2.063 40 0 EEABRN O=C(NCCc1nnc(-c2cccnc2)[nH]1)c1cccc2ncccc21 ZINC000012115813 211293718 /nfs/dbraw/zinc/29/37/18/211293718.db2.gz NNUFMQKEFCAALJ-UHFFFAOYSA-N 0 0 344.378 2.387 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)NC2CCCCCC2)c1=O ZINC000012146596 211306573 /nfs/dbraw/zinc/30/65/73/211306573.db2.gz CBRPAGGCABHNHQ-UHFFFAOYSA-N 0 0 346.456 2.393 40 0 EEABRN O=C(c1ccccc1F)N1CCC(n2nnc3cccnc32)CC1 ZINC000012088694 211289373 /nfs/dbraw/zinc/28/93/73/211289373.db2.gz DXHSFRGGTPRMLR-UHFFFAOYSA-N 0 0 325.347 2.443 40 0 EEABRN CC(C)(C)/C=C/C(=O)Nc1cnn(CC(=O)Nc2cccnc2)c1 ZINC000095398009 218331010 /nfs/dbraw/zinc/33/10/10/218331010.db2.gz JZXVZWUAZYQUCA-VOTSOKGWSA-N 0 0 327.388 2.458 40 0 EEABRN O=C(c1cccc(F)c1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096109045 218603368 /nfs/dbraw/zinc/60/33/68/218603368.db2.gz UDKZGZQIKBIVOH-BEFAXECRSA-N 0 0 342.370 2.388 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)c1ccc(=O)n(-c2ccccc2)c1 ZINC000096192016 218660997 /nfs/dbraw/zinc/66/09/97/218660997.db2.gz WLTIVDKBDUBQMR-UHFFFAOYSA-N 0 0 336.395 2.118 40 0 EEABRN Cc1cnc(N[C@@H]2CCO[C@]3(CCN(C(=O)N4CCCC4)C3)C2)nc1 ZINC000096207965 218682617 /nfs/dbraw/zinc/68/26/17/218682617.db2.gz TZEKTMCYXQUEIK-CRAIPNDOSA-N 0 0 345.447 2.036 40 0 EEABRN Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238799 218710705 /nfs/dbraw/zinc/71/07/05/218710705.db2.gz LEQQMTVEMDNXMV-SFHVURJKSA-N 0 0 328.391 2.188 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 ZINC000096250173 218722517 /nfs/dbraw/zinc/72/25/17/218722517.db2.gz HRVCELLBBIIOFZ-ZTFGCOKTSA-N 0 0 338.411 2.208 40 0 EEABRN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000096407547 218758841 /nfs/dbraw/zinc/75/88/41/218758841.db2.gz QIWKRQVHSBLZLC-FUHWJXTLSA-N 0 0 344.455 2.338 40 0 EEABRN CCc1ncncc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000096416705 218777697 /nfs/dbraw/zinc/77/76/97/218777697.db2.gz LERBOVFOMRGWAU-OAHLLOKOSA-N 0 0 344.802 2.228 40 0 EEABRN O=C1N2CCN=C2c2cnn(-c3ccccc3)c2N1Cc1ccncc1 ZINC000072347696 296354191 /nfs/dbraw/zinc/35/41/91/296354191.db2.gz HAROXRNRAKRKQT-UHFFFAOYSA-N 0 0 344.378 2.470 40 0 EEABRN C[C@@H](CNC(=O)c1cc(Br)cn1C)CC1(C)OCCO1 ZINC000096443727 218825731 /nfs/dbraw/zinc/82/57/31/218825731.db2.gz UHNIZFAKIQMHAE-SNVBAGLBSA-N 0 0 345.237 2.307 40 0 EEABRN C[C@](NC(=O)c1cscn1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454548 218838600 /nfs/dbraw/zinc/83/86/00/218838600.db2.gz OFTBKKRDAPBRFI-CYBMUJFWSA-N 0 0 343.330 2.292 40 0 EEABRN Cc1ccc([C@@](C)(O)CNC(=O)CN2CCC(C(F)(F)F)CC2)o1 ZINC000096495811 218873852 /nfs/dbraw/zinc/87/38/52/218873852.db2.gz FZNQMXFHVLPOSG-HNNXBMFYSA-N 0 0 348.365 2.186 40 0 EEABRN CSc1nc2c(ncn2[C@H]2C=C[C@H](OC(C)=O)CO2)c(Cl)n1 ZINC000004919459 210324727 /nfs/dbraw/zinc/32/47/27/210324727.db2.gz SIGRORQYHCPAQF-DTWKUNHWSA-N 0 0 340.792 2.218 40 0 EEABRN CC(C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000004907866 210319265 /nfs/dbraw/zinc/31/92/65/210319265.db2.gz DLWZKNKNURPKAS-UHFFFAOYSA-N 0 0 331.416 2.022 40 0 EEABRN CCOc1ccccc1C(=O)N1CCN(c2ncc(C)c(C)n2)CC1 ZINC000270715106 256163486 /nfs/dbraw/zinc/16/34/86/256163486.db2.gz POOGICONHXLGFQ-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN C[C@@H]1CCC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)[C@H]1C ZINC000273850546 256332936 /nfs/dbraw/zinc/33/29/36/256332936.db2.gz QPUMTOMQCVGNIS-IPYPFGDCSA-N 0 0 328.416 2.123 40 0 EEABRN CCCN(CCC)S(=O)(=O)c1c[nH]cc(Br)c1=O ZINC000072210859 257690418 /nfs/dbraw/zinc/69/04/18/257690418.db2.gz MJCLXGYGAOOBFP-UHFFFAOYSA-N 0 0 337.239 2.360 40 0 EEABRN C[C@@H](Nc1cnn(-c2ccccc2Br)c1)c1nnnn1C ZINC000189890366 533563380 /nfs/dbraw/zinc/56/33/80/533563380.db2.gz RXFKBDRQHDASHW-SECBINFHSA-N 0 0 348.208 2.331 40 0 EEABRN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1 ZINC000020121162 292206499 /nfs/dbraw/zinc/20/64/99/292206499.db2.gz UZXMXYJNQZDUOQ-INIZCTEOSA-N 0 0 328.464 2.073 40 0 EEABRN O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCCc2nccn21 ZINC000368278575 166081369 /nfs/dbraw/zinc/08/13/69/166081369.db2.gz HGBQFHVEQXHHDU-AWEZNQCLSA-N 0 0 326.335 2.119 40 0 EEABRN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(-n2cnnn2)cc1 ZINC000171342968 227028192 /nfs/dbraw/zinc/02/81/92/227028192.db2.gz LVYADNCUBBVIBW-UHFFFAOYSA-N 0 0 348.366 2.189 40 0 EEABRN O=C(CN1Cc2ccccc2C1=O)N1CCC(c2ccncc2)CC1 ZINC000277356327 269149836 /nfs/dbraw/zinc/14/98/36/269149836.db2.gz UMGBFCFCCJWRDA-UHFFFAOYSA-N 0 0 335.407 2.444 40 0 EEABRN O=C(NCc1ccc(F)c(Cl)c1)N1CC(=O)N(CC2CC2)C1 ZINC000278899888 269249330 /nfs/dbraw/zinc/24/93/30/269249330.db2.gz FQVUTOXFTPUWOT-UHFFFAOYSA-N 0 0 325.771 2.200 40 0 EEABRN Cc1ccc(F)cc1C1(c2noc([C@@H](C)NS(C)(=O)=O)n2)CC1 ZINC000289062417 275097633 /nfs/dbraw/zinc/09/76/33/275097633.db2.gz IJGWRDBZNMKYCV-SNVBAGLBSA-N 0 0 339.392 2.207 40 0 EEABRN CC[C@H]1Oc2nc3ccc(OC)cc3cc2CN(CCOC)C1=O ZINC000012115629 276643026 /nfs/dbraw/zinc/64/30/26/276643026.db2.gz CXBOUUUKNRQCRZ-MRXNPFEDSA-N 0 0 330.384 2.389 40 0 EEABRN COc1ncc(NC(=O)c2ccc(Br)o2)c(OC)n1 ZINC000096098710 278090880 /nfs/dbraw/zinc/09/08/80/278090880.db2.gz MEAPXZBVDLTSAT-UHFFFAOYSA-N 0 0 328.122 2.102 40 0 EEABRN CC(C)n1nc(CN2CCCC2=O)c2c1CN(C1CCOCC1)C2 ZINC000096259148 278142101 /nfs/dbraw/zinc/14/21/01/278142101.db2.gz YHEMAMZJUIYQAB-UHFFFAOYSA-N 0 0 332.448 2.081 40 0 EEABRN Cc1noc2ncc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)cc12 ZINC000081630705 279260034 /nfs/dbraw/zinc/26/00/34/279260034.db2.gz GPMQHTCZOOMWDD-UHFFFAOYSA-N 0 0 341.371 2.473 40 0 EEABRN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000004524213 280175535 /nfs/dbraw/zinc/17/55/35/280175535.db2.gz MMFCGDGZKRGDII-FUTJPDQTSA-N 0 0 334.169 2.282 40 0 EEABRN CC[C@](Br)([C@H](O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096521639 288382484 /nfs/dbraw/zinc/38/24/84/288382484.db2.gz BMVMCAWHLFIUJU-VXGBXAGGSA-N 0 0 336.251 2.238 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)C[C@H]2c2ccc(OC)cc2)cn1 ZINC000257212141 288697713 /nfs/dbraw/zinc/69/77/13/288697713.db2.gz CCCPJMIQQBSDPK-IBGZPJMESA-N 0 0 342.443 2.317 40 0 EEABRN [NH3+]C(CO)(CO)CCc1ccc(CCCCCCCC(=O)[O-])cc1 ZINC000077292915 303353603 /nfs/dbraw/zinc/35/36/03/303353603.db2.gz JVTFHBJPCUOROC-UHFFFAOYSA-N 0 0 337.460 2.269 40 0 in-vitro EEABRN CC1(C)OCC[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000333176946 312106630 /nfs/dbraw/zinc/10/66/30/312106630.db2.gz KTKVWEPCFUTVKH-HOTGVXAUSA-N 0 0 340.464 2.314 40 0 EEABRN CC1(C)OCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000333176953 312106853 /nfs/dbraw/zinc/10/68/53/312106853.db2.gz KTKVWEPCFUTVKH-JKSUJKDBSA-N 0 0 340.464 2.314 40 0 EEABRN Cn1nccc1[C@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CCO1 ZINC000333962503 312220394 /nfs/dbraw/zinc/22/03/94/312220394.db2.gz NAODBINXKPWPJR-CXAGYDPISA-N 0 0 328.416 2.277 40 0 EEABRN CCS(=O)(=O)N1CCC(CNc2ncnc3sccc32)CC1 ZINC000544408610 318186915 /nfs/dbraw/zinc/18/69/15/318186915.db2.gz OKWZWMDEMCQUPN-UHFFFAOYSA-N 0 0 340.474 2.165 40 0 EEABRN CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cn1 ZINC000195553494 323514385 /nfs/dbraw/zinc/51/43/85/323514385.db2.gz AIPUSDOIOUHFCF-HNNXBMFYSA-N 0 0 337.420 2.370 40 0 EEABRN O=S(=O)(c1ccccn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000329064459 465222034 /nfs/dbraw/zinc/22/20/34/465222034.db2.gz KNSSVJKUGMLEEX-IKGGRYGDSA-N 0 0 344.436 2.275 40 0 EEABRN Cc1ccc(N2C[C@@H](C(=O)N(C)CCc3ccncc3)CC2=O)cc1 ZINC000060194567 462539955 /nfs/dbraw/zinc/53/99/55/462539955.db2.gz CAFAQJMDCINWBY-KRWDZBQOSA-N 0 0 337.423 2.444 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1cc(F)ccc1F)CS2 ZINC000085473705 462550333 /nfs/dbraw/zinc/55/03/33/462550333.db2.gz OMNCQMQDFRSGRX-VIFPVBQESA-N 0 0 337.351 2.191 40 0 EEABRN O=C(c1ccc(O)cc1)N1CCN(Cc2ccncc2Cl)CC1 ZINC000085785657 462558618 /nfs/dbraw/zinc/55/86/18/462558618.db2.gz LYSHOPZUTOLJOA-UHFFFAOYSA-N 0 0 331.803 2.399 40 0 EEABRN COc1cc(C(=O)NC(=S)NC(C)(C)C)cc(OC)c1OC ZINC000000502964 462568417 /nfs/dbraw/zinc/56/84/17/462568417.db2.gz GRZLKVROYXWEOS-UHFFFAOYSA-N 0 0 326.418 2.115 40 0 EEABRN Cc1nc(CNC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)no1 ZINC000086424329 462571933 /nfs/dbraw/zinc/57/19/33/462571933.db2.gz MLONSLVHTFWMRD-NSHDSACASA-N 0 0 340.387 2.433 40 0 EEABRN C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2F)C1=O ZINC000001361820 462580077 /nfs/dbraw/zinc/58/00/77/462580077.db2.gz AVPIPSKVIZTGQC-GFCCVEGCSA-N 0 0 328.343 2.256 40 0 EEABRN Cc1c(Br)c(Br)nn1[C@H](C)C(=O)N(C)C ZINC000001872302 462587728 /nfs/dbraw/zinc/58/77/28/462587728.db2.gz PSLNJFQFEOIBTB-ZCFIWIBFSA-N 0 0 339.031 2.366 40 0 EEABRN O=C(NCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)Cl ZINC000153040777 462609025 /nfs/dbraw/zinc/60/90/25/462609025.db2.gz FOUDGULZFMMZBT-UHFFFAOYSA-N 0 0 330.718 2.011 40 0 EEABRN COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1 ZINC000113885056 462614159 /nfs/dbraw/zinc/61/41/59/462614159.db2.gz ZZCUDMJCFOYFOA-UHFFFAOYSA-N 0 0 341.335 2.333 40 0 EEABRN CC(C)CS(=O)(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000088547602 462635775 /nfs/dbraw/zinc/63/57/75/462635775.db2.gz ZFWBSVHTVAPPNR-UHFFFAOYSA-N 0 0 338.404 2.433 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OC)c(-c2nc(CCC)no2)c1 ZINC000046020195 462638126 /nfs/dbraw/zinc/63/81/26/462638126.db2.gz DZGZZZDKKLLVHY-UHFFFAOYSA-N 0 0 339.417 2.386 40 0 EEABRN CCOC(=O)[C@@H](C)Sc1n[nH]c(-c2c(Cl)c(CC)nn2C)n1 ZINC000005686724 462666233 /nfs/dbraw/zinc/66/62/33/462666233.db2.gz AZTDCACHOHIVDK-SSDOTTSWSA-N 0 0 343.840 2.465 40 0 EEABRN O=C(NC[C@@](O)(c1cccs1)C1CC1)[C@H]1COc2ccccc2O1 ZINC000075155290 462687228 /nfs/dbraw/zinc/68/72/28/462687228.db2.gz ZGIDQMVAEXIQQL-QAPCUYQASA-N 0 0 345.420 2.302 40 0 EEABRN COCCCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O ZINC000006679284 462695624 /nfs/dbraw/zinc/69/56/24/462695624.db2.gz NUHUNWLKOLNKTG-UHFFFAOYSA-N 0 0 330.409 2.310 40 0 EEABRN Cc1noc(CCC(=O)NCc2cc(N(C)C)nc3ccccc23)n1 ZINC000075386322 462713782 /nfs/dbraw/zinc/71/37/82/462713782.db2.gz MYUVBZHWLMMUJK-UHFFFAOYSA-N 0 0 339.399 2.241 40 0 EEABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2c(C)noc2C)c1 ZINC000008059141 462764902 /nfs/dbraw/zinc/76/49/02/462764902.db2.gz ZQAVBDFQMPZRDD-VIFPVBQESA-N 0 0 340.401 2.348 40 0 EEABRN COc1ccc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000011646099 462835760 /nfs/dbraw/zinc/83/57/60/462835760.db2.gz NNGLNCDHOLBBNH-GFCCVEGCSA-N 0 0 326.352 2.448 40 0 EEABRN CC(C)N(C(=O)Cn1nc(-c2cccs2)cc(N)c1=O)C(C)C ZINC000012146741 462845127 /nfs/dbraw/zinc/84/51/27/462845127.db2.gz WOVKQONOXYSHRM-UHFFFAOYSA-N 0 0 334.445 2.199 40 0 EEABRN CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(C)C1 ZINC000012529983 462853889 /nfs/dbraw/zinc/85/38/89/462853889.db2.gz DWTHMZFIQAGRJF-KBPBESRZSA-N 0 0 347.394 2.329 40 0 biogenic,in-vitro EEABRN O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nn2cnnc2)c1 ZINC000014405852 462927679 /nfs/dbraw/zinc/92/76/79/462927679.db2.gz LAWJNJBJOWHETG-MDZDMXLPSA-N 0 0 333.351 2.314 40 0 EEABRN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1 ZINC000076958076 462927664 /nfs/dbraw/zinc/92/76/64/462927664.db2.gz JFCRZFPTHSFODI-IAGOWNOFSA-N 0 0 344.455 2.312 40 0 EEABRN COCCCNC(=O)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000016194353 462971716 /nfs/dbraw/zinc/97/17/16/462971716.db2.gz MOXAZVFTGWPGNT-UHFFFAOYSA-N 0 0 327.743 2.219 40 0 EEABRN CCc1c(C)sc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1C(N)=O ZINC000017067745 462993409 /nfs/dbraw/zinc/99/34/09/462993409.db2.gz VKVJCNZQCVAKCQ-QCMRWSPLSA-N 0 0 330.409 2.029 40 0 EEABRN Fc1cccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)c1F ZINC000019292749 463015493 /nfs/dbraw/zinc/01/54/93/463015493.db2.gz INXXVEMQXIYSOG-UHFFFAOYSA-N 0 0 346.381 2.150 40 0 EEABRN C[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496989 463017952 /nfs/dbraw/zinc/01/79/52/463017952.db2.gz KCGVTASBGWFVSI-CYBMUJFWSA-N 0 0 332.448 2.374 40 0 EEABRN Cc1ccc(C)c(-n2ccc3nc(N4CCOCC4)ncc3c2=O)c1 ZINC000019974171 463024519 /nfs/dbraw/zinc/02/45/19/463024519.db2.gz KKRYLRHUOMINDB-UHFFFAOYSA-N 0 0 336.395 2.234 40 0 EEABRN O=C(CN1CCC[C@H](c2nc3ccccc3[nH]2)C1)NC[C@@H]1CCCO1 ZINC000095431934 463083738 /nfs/dbraw/zinc/08/37/38/463083738.db2.gz LGYNHBGNMILSLI-GJZGRUSLSA-N 0 0 342.443 2.038 40 0 EEABRN Cc1ccccc1OC[C@H](O)Cn1nc(C(F)(F)F)ccc1=O ZINC000095437116 463084199 /nfs/dbraw/zinc/08/41/99/463084199.db2.gz GDRJNBOUAAVTCD-LLVKDONJSA-N 0 0 328.290 2.010 40 0 EEABRN COc1ccc([C@H](N)c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095533826 463107535 /nfs/dbraw/zinc/10/75/35/463107535.db2.gz XDEFATUOXZXNAZ-KRWDZBQOSA-N 0 0 339.399 2.482 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1C ZINC000095947102 463112053 /nfs/dbraw/zinc/11/20/53/463112053.db2.gz VCQJLYGZFMTEHX-CZUORRHYSA-N 0 0 343.427 2.342 40 0 EEABRN CC(C)[C@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O ZINC000096032847 463143017 /nfs/dbraw/zinc/14/30/17/463143017.db2.gz KSBISSAWUAIQIT-DOMZBBRYSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039071 463143636 /nfs/dbraw/zinc/14/36/36/463143636.db2.gz VHGLRMWPVAHQRJ-FUHWJXTLSA-N 0 0 333.384 2.073 40 0 EEABRN c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)c1 ZINC000096042164 463146518 /nfs/dbraw/zinc/14/65/18/463146518.db2.gz JQBBIYVYEXRENJ-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1cc(C)on1)C[C@@H]2COCC1CC1 ZINC000096045244 463148764 /nfs/dbraw/zinc/14/87/64/463148764.db2.gz FTLHZEJJSCEBDL-CQSZACIVSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccc(CN2CCO[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049857 463153601 /nfs/dbraw/zinc/15/36/01/463153601.db2.gz ADFZLTVNFIWRPE-IBGZPJMESA-N 0 0 343.427 2.091 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2ccoc2)CC3)c1 ZINC000096051707 463155412 /nfs/dbraw/zinc/15/54/12/463155412.db2.gz WDEJYGHQBXDEHQ-INIZCTEOSA-N 0 0 341.411 2.433 40 0 EEABRN COC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060892 463160736 /nfs/dbraw/zinc/16/07/36/463160736.db2.gz VQETYOFQXZMAFO-INIZCTEOSA-N 0 0 342.443 2.443 40 0 EEABRN Cc1ccc(CN2CCn3c(Cn4cncn4)cnc3[C@H]2C)s1 ZINC000096062089 463161563 /nfs/dbraw/zinc/16/15/63/463161563.db2.gz IRVQPPWBFPFNKG-CYBMUJFWSA-N 0 0 328.445 2.470 40 0 EEABRN O=C(c1ccccn1)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096065192 463163177 /nfs/dbraw/zinc/16/31/77/463163177.db2.gz UQOACWURSXTDBK-LESCRADOSA-N 0 0 338.411 2.208 40 0 EEABRN Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4c(C)noc4C)C[C@@H]32)o1 ZINC000096066413 463164720 /nfs/dbraw/zinc/16/47/20/463164720.db2.gz VOKWNVVFJQEJDD-MGPQQGTHSA-N 0 0 346.387 2.018 40 0 EEABRN CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068620 463165686 /nfs/dbraw/zinc/16/56/86/463165686.db2.gz VMAWESUNTLAWML-CQSZACIVSA-N 0 0 329.400 2.285 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123334 463181997 /nfs/dbraw/zinc/18/19/97/463181997.db2.gz NZNDPHVUIIMMGQ-YVEFUNNKSA-N 0 0 343.383 2.402 40 0 EEABRN O=S(=O)(c1ccc(N2CC(n3ccnc3)C2)cc1)C(F)(F)F ZINC000079102832 463189192 /nfs/dbraw/zinc/18/91/92/463189192.db2.gz KVOKWQWWCVROEH-UHFFFAOYSA-N 0 0 331.319 2.238 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC000096161279 463192515 /nfs/dbraw/zinc/19/25/15/463192515.db2.gz PURYUFFHWZYJNS-UHFFFAOYSA-N 0 0 337.423 2.120 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000096181922 463194723 /nfs/dbraw/zinc/19/47/23/463194723.db2.gz HDUOHVCHFUIZIQ-ZOBUZTSGSA-N 0 0 334.391 2.030 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)COCc2nc(-c3ccncc3)no2)C1 ZINC000096182041 463194745 /nfs/dbraw/zinc/19/47/45/463194745.db2.gz FGFDJEFFTYSQRB-CHWSQXEVSA-N 0 0 330.388 2.153 40 0 EEABRN Cc1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)s1 ZINC000096197281 463203252 /nfs/dbraw/zinc/20/32/52/463203252.db2.gz SYGHYSCTXSVWEZ-UHFFFAOYSA-N 0 0 332.473 2.101 40 0 EEABRN O=C1C[C@H](c2ccncc2)C2(CCN(Cc3nccs3)CC2)N1 ZINC000096199904 463205876 /nfs/dbraw/zinc/20/58/76/463205876.db2.gz TUISZAVKXVGYIO-CQSZACIVSA-N 0 0 328.441 2.176 40 0 EEABRN O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3nccs3)CC2)N1 ZINC000096199903 463206237 /nfs/dbraw/zinc/20/62/37/463206237.db2.gz TUISZAVKXVGYIO-AWEZNQCLSA-N 0 0 328.441 2.176 40 0 EEABRN CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208412 463219213 /nfs/dbraw/zinc/21/92/13/463219213.db2.gz DETGDMDDIRONOR-UHFFFAOYSA-N 0 0 326.462 2.032 40 0 EEABRN O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1Cc1ccncc1 ZINC000096228218 463222309 /nfs/dbraw/zinc/22/23/09/463222309.db2.gz CXYLJGKYOJGPPX-UHFFFAOYSA-N 0 0 341.390 2.172 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C)c2ccccc2C1 ZINC000069267647 463224607 /nfs/dbraw/zinc/22/46/07/463224607.db2.gz ZQHRBELHAQXOSY-UHFFFAOYSA-N 0 0 341.459 2.241 40 0 EEABRN CC(C)NC(=O)N1CC[C@@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000096241238 463225635 /nfs/dbraw/zinc/22/56/35/463225635.db2.gz PYNUEJNMZOBHFG-PBHICJAKSA-N 0 0 337.395 2.274 40 0 EEABRN Cc1ccc(C(=O)N2CCn3nnc(COc4cccnc4)c3C2)cc1 ZINC000096256008 463228996 /nfs/dbraw/zinc/22/89/96/463228996.db2.gz RVCROSZXSGUJCP-UHFFFAOYSA-N 0 0 349.394 2.217 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccoc1)CC2 ZINC000096254549 463229035 /nfs/dbraw/zinc/22/90/35/463229035.db2.gz VDWWLSOQZSCOKW-UHFFFAOYSA-N 0 0 326.400 2.219 40 0 EEABRN CC(=O)N1CC[C@@]2(C(=O)NCCc3c[nH]c4ccccc34)C[C@H]2C1 ZINC000096268466 463231263 /nfs/dbraw/zinc/23/12/63/463231263.db2.gz KBLDRVRIQLMREI-HNAYVOBHSA-N 0 0 325.412 2.085 40 0 EEABRN COC(=O)CN1CCC(Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000136292370 463232589 /nfs/dbraw/zinc/23/25/89/463232589.db2.gz JFGDLBOCDOWCDQ-UHFFFAOYSA-N 0 0 346.406 2.369 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365756 463235973 /nfs/dbraw/zinc/23/59/73/463235973.db2.gz DGESXSYBGBDNAU-CQSZACIVSA-N 0 0 346.408 2.240 40 0 EEABRN CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000028943368 463237276 /nfs/dbraw/zinc/23/72/76/463237276.db2.gz UXENBOLAZQPZNA-UHFFFAOYSA-N 0 0 336.388 2.157 40 0 EEABRN Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)[C@@H]2CCOC2)c1 ZINC000096403913 463238158 /nfs/dbraw/zinc/23/81/58/463238158.db2.gz VRVCZLZWSOBVOX-MRXNPFEDSA-N 0 0 330.428 2.377 40 0 EEABRN O=C(NCCCc1ccc(Br)cc1F)[C@@H]1COCCO1 ZINC000096407438 463240166 /nfs/dbraw/zinc/24/01/66/463240166.db2.gz RRSNSYREYPEZOJ-ZDUSSCGKSA-N 0 0 346.196 2.052 40 0 EEABRN CCc1ncncc1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000096408085 463241523 /nfs/dbraw/zinc/24/15/23/463241523.db2.gz QMUCSLPHMBXPKV-UHFFFAOYSA-N 0 0 326.400 2.124 40 0 EEABRN C[S@](=O)CCNC(=O)NCCCc1cccc(Br)c1 ZINC000096408905 463242585 /nfs/dbraw/zinc/24/25/85/463242585.db2.gz RXTFMYMRIUYCGY-LJQANCHMSA-N 0 0 347.278 2.059 40 0 EEABRN CCOCc1ccccc1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000096410613 463244081 /nfs/dbraw/zinc/24/40/81/463244081.db2.gz QEGCWZAVGPEZMI-QGZVFWFLSA-N 0 0 345.447 2.381 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)N[C@@H](C)Cc2c(C)noc2C)n1 ZINC000096415306 463248519 /nfs/dbraw/zinc/24/85/19/463248519.db2.gz HRDJWNRIXHSZFK-JQWIXIFHSA-N 0 0 333.436 2.424 40 0 EEABRN Cc1noc(C)c1C[C@@H](C)C(=O)NCCC(=O)Nc1ccncc1 ZINC000096416963 463249534 /nfs/dbraw/zinc/24/95/34/463249534.db2.gz NKFBWGYUVBFJOW-LLVKDONJSA-N 0 0 330.388 2.010 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000096418779 463250271 /nfs/dbraw/zinc/25/02/71/463250271.db2.gz PXPXXOZQKAPTJX-PBHICJAKSA-N 0 0 332.444 2.300 40 0 EEABRN Cc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cn1 ZINC000096420812 463251368 /nfs/dbraw/zinc/25/13/68/463251368.db2.gz HAGUALWXZWYNPG-QGZVFWFLSA-N 0 0 346.475 2.126 40 0 EEABRN CC(C)COC[C@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000096419909 463251553 /nfs/dbraw/zinc/25/15/53/463251553.db2.gz ITTJAQYVPXTGSF-SMDDNHRTSA-N 0 0 330.375 2.359 40 0 EEABRN C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420742 463251699 /nfs/dbraw/zinc/25/16/99/463251699.db2.gz SPHHUHCQWSANPA-NEWSRXKRSA-N 0 0 346.471 2.351 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000096423113 463254153 /nfs/dbraw/zinc/25/41/53/463254153.db2.gz JTSFQWYHEMXPDY-RYUDHWBXSA-N 0 0 332.297 2.066 40 0 EEABRN Cc1cc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)no1 ZINC000096426290 463256018 /nfs/dbraw/zinc/25/60/18/463256018.db2.gz PATULUQAVSBSNE-UHFFFAOYSA-N 0 0 334.763 2.096 40 0 EEABRN O=C(c1ccccc1NCCOCC(F)(F)F)N1CCC[C@@H](O)C1 ZINC000096427435 463256903 /nfs/dbraw/zinc/25/69/03/463256903.db2.gz OVSNASFBBBZMBY-GFCCVEGCSA-N 0 0 346.349 2.274 40 0 EEABRN O=C(Cc1n[nH]c2ccccc12)NC[C@@]1(O)CCCc2ccccc21 ZINC000096427014 463257147 /nfs/dbraw/zinc/25/71/47/463257147.db2.gz GVCAHARSGJNOCU-FQEVSTJZSA-N 0 0 335.407 2.446 40 0 EEABRN C[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096431210 463260420 /nfs/dbraw/zinc/26/04/20/463260420.db2.gz ITYRXKNHRMHANG-QRGHLMKCSA-N 0 0 342.486 2.099 40 0 EEABRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c[nH]nc3C)n2)c1 ZINC000096432757 463261080 /nfs/dbraw/zinc/26/10/80/463261080.db2.gz CGENXDSQNLDNCH-SNVBAGLBSA-N 0 0 327.344 2.268 40 0 EEABRN O=C(/C=C/c1cccnc1)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000096432151 463261324 /nfs/dbraw/zinc/26/13/24/463261324.db2.gz KOKCLTXUYBDTRP-NFTNHMJPSA-N 0 0 347.418 2.368 40 0 EEABRN CNC(=O)Cc1ccc(NC(=O)N[C@H](C)CCc2cccn2C)cc1 ZINC000096433959 463262211 /nfs/dbraw/zinc/26/22/11/463262211.db2.gz LVONCSGVSGLWAL-CQSZACIVSA-N 0 0 342.443 2.456 40 0 EEABRN CC[C@@](Br)([C@H](O)c1ccc(F)cc1)S(C)(=O)=O ZINC000096521527 463293669 /nfs/dbraw/zinc/29/36/69/463293669.db2.gz VUAVNUCHXGQAMH-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)n1C ZINC000096444571 463269510 /nfs/dbraw/zinc/26/95/10/463269510.db2.gz NMLOFFFQXMUONN-OAHLLOKOSA-N 0 0 346.475 2.314 40 0 EEABRN O=C(CN1CCCCC1=O)NCc1c(F)cccc1OC(F)F ZINC000096443912 463270096 /nfs/dbraw/zinc/27/00/96/463270096.db2.gz KRMQPXZQCSEMHF-UHFFFAOYSA-N 0 0 330.306 2.056 40 0 EEABRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000096446557 463270989 /nfs/dbraw/zinc/27/09/89/463270989.db2.gz LGVLEYYDPZSKEV-HWPZZCPQSA-N 0 0 348.399 2.136 40 0 EEABRN CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000096475685 463280175 /nfs/dbraw/zinc/28/01/75/463280175.db2.gz WURJRPNZLUWCGE-RYUDHWBXSA-N 0 0 347.427 2.471 40 0 EEABRN CCC[C@H]1CN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CCO1 ZINC000096485442 463283897 /nfs/dbraw/zinc/28/38/97/463283897.db2.gz FKMOWNCJCQQRJA-DLBZAZTESA-N 0 0 343.431 2.230 40 0 EEABRN CCOC(=O)c1ccc(N2CCN(Cc3scnc3C)CC2)nc1 ZINC000096489669 463287180 /nfs/dbraw/zinc/28/71/80/463287180.db2.gz MBMIMAOJQYZTOF-UHFFFAOYSA-N 0 0 346.456 2.345 40 0 EEABRN CCN1CCN(C(=O)NCCc2c[nH]c3cccc(OC)c23)CC1 ZINC000096499861 463290009 /nfs/dbraw/zinc/29/00/09/463290009.db2.gz LJCKIMDWLMEASC-UHFFFAOYSA-N 0 0 330.432 2.066 40 0 EEABRN Cc1ccc(F)c(N2CCC[C@@H](NC(=O)N[C@@H](C)c3nc[nH]n3)C2)c1 ZINC000096499778 463290695 /nfs/dbraw/zinc/29/06/95/463290695.db2.gz ZUBMMXVASDIACU-QWHCGFSZSA-N 0 0 346.410 2.281 40 0 EEABRN Cc1noc(C)c1N(C)C(=O)c1cc(Br)c(C)[nH]c1=O ZINC000097102432 463324381 /nfs/dbraw/zinc/32/43/81/463324381.db2.gz FEKOPSRLVNJBMA-UHFFFAOYSA-N 0 0 340.177 2.327 40 0 EEABRN CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031550514 463344486 /nfs/dbraw/zinc/34/44/86/463344486.db2.gz ZIUDRAUKQJYNPR-HNNXBMFYSA-N 0 0 338.473 2.394 40 0 EEABRN O=C(OC[C@@H]1CCC(=O)N1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000097233182 463350993 /nfs/dbraw/zinc/35/09/93/463350993.db2.gz ZVNZODUMQZVKRJ-AWEZNQCLSA-N 0 0 335.363 2.461 40 0 EEABRN CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000097234440 463352680 /nfs/dbraw/zinc/35/26/80/463352680.db2.gz SRXLVIGVLLYGGR-URSPUVDMSA-N 0 0 338.473 2.117 40 0 EEABRN CN1CCN(C(=O)CSc2ccc(Br)cc2)CC1 ZINC000031852204 463356093 /nfs/dbraw/zinc/35/60/93/463356093.db2.gz PLYDUOBVFPTWQL-UHFFFAOYSA-N 0 0 329.263 2.315 40 0 EEABRN Cc1nccc(N2CCN(C(=O)NC[C@@H](C)c3ccsc3)CC2)n1 ZINC000097376466 463357057 /nfs/dbraw/zinc/35/70/57/463357057.db2.gz JPGDUYKORQDZGM-CYBMUJFWSA-N 0 0 345.472 2.482 40 0 EEABRN O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1CN1CCOCC1 ZINC000033493202 463421970 /nfs/dbraw/zinc/42/19/70/463421970.db2.gz FRISGZYAUUFDKT-UKTHLTGXSA-N 0 0 337.832 2.099 40 0 EEABRN Cc1noc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000041122282 463468825 /nfs/dbraw/zinc/46/88/25/463468825.db2.gz BTWZRAUHWPTZDC-ZDUSSCGKSA-N 0 0 329.356 2.169 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3ccccc3C)no2)CC1 ZINC000041184272 463471776 /nfs/dbraw/zinc/47/17/76/463471776.db2.gz QCCMYJCZWFAVHC-UHFFFAOYSA-N 0 0 328.416 2.142 40 0 EEABRN COC(=O)c1cccc2c(=O)c(I)c(C)[nH]c12 ZINC000072207169 463482464 /nfs/dbraw/zinc/48/24/64/463482464.db2.gz YMHYZMRGLBWKPE-UHFFFAOYSA-N 0 0 343.120 2.228 40 0 EEABRN O=S(=O)(c1c[nH]cc(Br)c1=S)N1CCCCC1 ZINC000072210886 463482683 /nfs/dbraw/zinc/48/26/83/463482683.db2.gz XPSSAEBALVVFKV-UHFFFAOYSA-N 0 0 337.264 2.307 40 0 EEABRN COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223645 463483968 /nfs/dbraw/zinc/48/39/68/463483968.db2.gz IJKKRKOROSPRMX-UHFFFAOYSA-N 0 0 335.404 2.234 40 0 EEABRN COc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000072227733 463484308 /nfs/dbraw/zinc/48/43/08/463484308.db2.gz OJUTVOBEXONIMX-SJORKVTESA-N 0 0 328.368 2.128 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@@H]1c1cccc(F)c1 ZINC000072241967 463487076 /nfs/dbraw/zinc/48/70/76/463487076.db2.gz UMDQKTWHGQJLLQ-ZBFHGGJFSA-N 0 0 336.432 2.311 40 0 EEABRN CC(C)n1c2ccccc2nc1[C@@H](C)NCC(=O)NC(=O)NC1CC1 ZINC000162189108 463490567 /nfs/dbraw/zinc/49/05/67/463490567.db2.gz YMBGGNVKGYCHCQ-GFCCVEGCSA-N 0 0 343.431 2.256 40 0 EEABRN O=C(CC1CCCCC1)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000058162159 463546664 /nfs/dbraw/zinc/54/66/64/463546664.db2.gz JRQJRRYFUHNCKE-AWEZNQCLSA-N 0 0 335.400 2.242 40 0 EEABRN Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108533049 463610359 /nfs/dbraw/zinc/61/03/59/463610359.db2.gz IDZFLUCOZYJSLO-YLJYHZDGSA-N 0 0 343.471 2.241 40 0 EEABRN COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059515952 463644019 /nfs/dbraw/zinc/64/40/19/463644019.db2.gz ITZPWHHLODYAOV-UHFFFAOYSA-N 0 0 347.436 2.401 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CC2(O)CCCC2)C1=O ZINC000073793902 463656992 /nfs/dbraw/zinc/65/69/92/463656992.db2.gz NFCKTDSIADZJEG-OAHLLOKOSA-N 0 0 348.418 2.441 40 0 EEABRN C[C@@H]1Oc2ccc(NC(=O)NCCc3ccccn3)cc2NC1=O ZINC000043872991 463660920 /nfs/dbraw/zinc/66/09/20/463660920.db2.gz BKSJUBDJLVXMQF-NSHDSACASA-N 0 0 326.356 2.165 40 0 EEABRN Cc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1-n1cnnn1 ZINC000044246717 463671228 /nfs/dbraw/zinc/67/12/28/463671228.db2.gz MCNQBPBMFORRKG-UHFFFAOYSA-N 0 0 340.362 2.474 40 0 EEABRN CC1CCN(S(=O)(=O)NCCCN(C)c2ccccc2)CC1 ZINC000044301680 463673889 /nfs/dbraw/zinc/67/38/89/463673889.db2.gz JLOCGOCOQNRGPK-UHFFFAOYSA-N 0 0 325.478 2.079 40 0 EEABRN CC(C)C[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)(F)F ZINC000044891581 463699157 /nfs/dbraw/zinc/69/91/57/463699157.db2.gz GTDZDVNXSPPRNU-LLVKDONJSA-N 0 0 347.337 2.284 40 0 EEABRN Cn1cc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000257173286 463756159 /nfs/dbraw/zinc/75/61/59/463756159.db2.gz IOEHPFGLLDZJAH-UHFFFAOYSA-N 0 0 334.420 2.000 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 ZINC000257200926 463756234 /nfs/dbraw/zinc/75/62/34/463756234.db2.gz AFJDHCMMZZGFOA-JOCQHMNTSA-N 0 0 330.388 2.168 40 0 EEABRN CCCn1ccc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000257289028 463763015 /nfs/dbraw/zinc/76/30/15/463763015.db2.gz PWRJWGYGZYYHFJ-KZNAEPCWSA-N 0 0 343.427 2.336 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257288404 463763545 /nfs/dbraw/zinc/76/35/45/463763545.db2.gz PUBCDORDXHIQFA-HNNXBMFYSA-N 0 0 336.399 2.319 40 0 EEABRN Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000257287417 463763565 /nfs/dbraw/zinc/76/35/65/463763565.db2.gz PPXHFAKOEKDDFP-KRWDZBQOSA-N 0 0 339.443 2.148 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257294548 463766170 /nfs/dbraw/zinc/76/61/70/463766170.db2.gz QUQUWCYPFNKTBT-HNNXBMFYSA-N 0 0 344.415 2.370 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257298413 463766772 /nfs/dbraw/zinc/76/67/72/463766772.db2.gz RLMPTBJAFNEOTF-HOTGVXAUSA-N 0 0 332.425 2.117 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3cccn3C)CCN2C(C)=O)cc1 ZINC000257297438 463766876 /nfs/dbraw/zinc/76/68/76/463766876.db2.gz RHFXOPVCDWLYCT-SFHVURJKSA-N 0 0 341.411 2.079 40 0 EEABRN CNC(=O)CN1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311361 463773730 /nfs/dbraw/zinc/77/37/30/463773730.db2.gz UJBLSQJMXMQCGR-ZDUSSCGKSA-N 0 0 344.390 2.333 40 0 EEABRN c1cc2c(C[C@H]3COCCN(Cc4cscn4)C3)nccn2c1 ZINC000257313200 463773959 /nfs/dbraw/zinc/77/39/59/463773959.db2.gz URJQAXNHMWUTGM-CQSZACIVSA-N 0 0 328.441 2.482 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2ccccc2F)n1 ZINC000257317906 463774663 /nfs/dbraw/zinc/77/46/63/463774663.db2.gz VLRANWTXOHKFJS-HNNXBMFYSA-N 0 0 344.390 2.108 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3ocnc3C)CC2)cn1 ZINC000257318375 463775833 /nfs/dbraw/zinc/77/58/33/463775833.db2.gz VNQGWKMICWTJJR-CYBMUJFWSA-N 0 0 329.404 2.300 40 0 EEABRN CCc1nccn1CCC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1 ZINC000257323321 463777725 /nfs/dbraw/zinc/77/77/25/463777725.db2.gz WJRHYZQGOKVRIZ-MRXNPFEDSA-N 0 0 328.416 2.139 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257335504 463782350 /nfs/dbraw/zinc/78/23/50/463782350.db2.gz YKLBNOBRYSFQDE-CQSZACIVSA-N 0 0 325.368 2.186 40 0 EEABRN Cn1cc(-c2nccnc2C[C@@H]2CCN(C(=O)C(C)(C)C)C2)cn1 ZINC000257342672 463787095 /nfs/dbraw/zinc/78/70/95/463787095.db2.gz ZPQOOFBLJNGKQN-ZDUSSCGKSA-N 0 0 327.432 2.314 40 0 EEABRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(F)c(Br)c1 ZINC000194086237 463788734 /nfs/dbraw/zinc/78/87/34/463788734.db2.gz OJFIOCNCCMYQFK-HQJQHLMTSA-N 0 0 344.184 2.234 40 0 EEABRN CCOc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O ZINC000260892634 463792320 /nfs/dbraw/zinc/79/23/20/463792320.db2.gz BEGBHDCSIPQCFZ-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN O=C(Nc1n[nH]c2cccc(F)c21)C1CCN(c2cnccn2)CC1 ZINC000171136566 463795011 /nfs/dbraw/zinc/79/50/11/463795011.db2.gz MGTYTRCOPXRJAS-UHFFFAOYSA-N 0 0 340.362 2.347 40 0 EEABRN Cn1nccc1CS(=O)(=O)Cc1csc(Br)c1 ZINC000194411130 463857882 /nfs/dbraw/zinc/85/78/82/463857882.db2.gz YOIDLQXHNXWBQO-UHFFFAOYSA-N 0 0 335.248 2.359 40 0 EEABRN CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H]2OCCc3ccccc32)c1 ZINC000178560702 463921818 /nfs/dbraw/zinc/92/18/18/463921818.db2.gz AWVJDYNSDDHASY-INIZCTEOSA-N 0 0 349.383 2.482 40 0 EEABRN COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000178601374 463927118 /nfs/dbraw/zinc/92/71/18/463927118.db2.gz CGSHUHQDPVGUTH-CQSZACIVSA-N 0 0 341.816 2.361 40 0 EEABRN O=S(=O)(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000186051984 463928840 /nfs/dbraw/zinc/92/88/40/463928840.db2.gz RJOLPTQHKJAKNP-JTQLQIEISA-N 0 0 334.363 2.366 40 0 EEABRN Cc1nccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000171992798 463962826 /nfs/dbraw/zinc/96/28/26/463962826.db2.gz LPVPIXPFARBGKO-AEFFLSMTSA-N 0 0 338.411 2.011 40 0 EEABRN Cc1nc(C)n(Cc2cccc(NC(=O)N(CCO)C(C)C)c2)n1 ZINC000195561782 464077559 /nfs/dbraw/zinc/07/75/59/464077559.db2.gz VTBWJFAWBXFMPQ-UHFFFAOYSA-N 0 0 331.420 2.178 40 0 EEABRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000221351321 464121238 /nfs/dbraw/zinc/12/12/38/464121238.db2.gz SRXLVIGVLLYGGR-UBMNLSNXSA-N 0 0 338.473 2.117 40 0 EEABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223573165 464143616 /nfs/dbraw/zinc/14/36/16/464143616.db2.gz FVAAYEQHPWALSB-IAGOWNOFSA-N 0 0 344.484 2.485 40 0 EEABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)[nH]1 ZINC000223605226 464145736 /nfs/dbraw/zinc/14/57/36/464145736.db2.gz IJDKGQSMBZUOOF-HOTGVXAUSA-N 0 0 330.457 2.381 40 0 EEABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223634421 464145746 /nfs/dbraw/zinc/14/57/46/464145746.db2.gz HEIINJDIWPEEGW-JKSUJKDBSA-N 0 0 330.457 2.258 40 0 EEABRN S=C(NCCCN1CCOCC1)Nc1ccc2sncc2c1 ZINC000225173695 464153926 /nfs/dbraw/zinc/15/39/26/464153926.db2.gz JWYDVIDWZRGKTQ-UHFFFAOYSA-N 0 0 336.486 2.305 40 0 EEABRN Cc1ccc(CS(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000225257648 464156096 /nfs/dbraw/zinc/15/60/96/464156096.db2.gz YQPODATXVVLHLF-OAHLLOKOSA-N 0 0 333.409 2.254 40 0 EEABRN CN(c1cccc(NC(=S)NC2CCCC2)c1)S(C)(=O)=O ZINC000225277636 464156374 /nfs/dbraw/zinc/15/63/74/464156374.db2.gz KIFNITMEQDUGPX-UHFFFAOYSA-N 0 0 327.475 2.311 40 0 EEABRN CN(CCO)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000225407695 464156768 /nfs/dbraw/zinc/15/67/68/464156768.db2.gz ONFJQTXDLDTZIA-UHFFFAOYSA-N 0 0 328.294 2.347 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000225418367 464158633 /nfs/dbraw/zinc/15/86/33/464158633.db2.gz DUJFRJRXJBQEQO-ZDUSSCGKSA-N 0 0 336.461 2.148 40 0 EEABRN C=Cn1cc(CN2CCN(C(=O)COc3ccccc3C)CC2)cn1 ZINC000225579758 464173489 /nfs/dbraw/zinc/17/34/89/464173489.db2.gz AWVYOWGDFKLMRQ-UHFFFAOYSA-N 0 0 340.427 2.015 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2ccnn2C)[C@@H](C)C1 ZINC000225658150 464178275 /nfs/dbraw/zinc/17/82/75/464178275.db2.gz QPFGXZSLZCRZGU-HNNXBMFYSA-N 0 0 342.443 2.165 40 0 EEABRN Cc1noc2ncnc(NC[C@H](CO)Cc3ccc(F)c(F)c3)c12 ZINC000225697242 464181259 /nfs/dbraw/zinc/18/12/59/464181259.db2.gz NPMCNHQMXYGLCF-LLVKDONJSA-N 0 0 334.326 2.468 40 0 EEABRN CO[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(C)(C)C ZINC000173494506 464270515 /nfs/dbraw/zinc/27/05/15/464270515.db2.gz MSIFAXKZDDCHHW-OAHLLOKOSA-N 0 0 333.432 2.256 40 0 EEABRN COCc1cccc(CC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 ZINC000188802014 464372181 /nfs/dbraw/zinc/37/21/81/464372181.db2.gz VDJSRQNYWILFKQ-KRWDZBQOSA-N 0 0 325.412 2.166 40 0 EEABRN C[C@@]12CCCN1C(=O)N([C@H]1CCN(c3ncccc3Cl)C1)C2=O ZINC000239882042 464445853 /nfs/dbraw/zinc/44/58/53/464445853.db2.gz CZYYKKOPZZWHSM-ZBEGNZNMSA-N 0 0 334.807 2.130 40 0 EEABRN CC(C)(NC(=O)Cn1ccnn1)c1ccc(OC(F)(F)F)cc1 ZINC000189650954 464536408 /nfs/dbraw/zinc/53/64/08/464536408.db2.gz ZSPXCMNGRRTZEB-UHFFFAOYSA-N 0 0 328.294 2.228 40 0 EEABRN CC[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCS1 ZINC000175603436 464584255 /nfs/dbraw/zinc/58/42/55/464584255.db2.gz RNMZICLKYTVIFR-DZGCQCFKSA-N 0 0 348.468 2.351 40 0 EEABRN COc1cc(S(=O)(=O)N(C)Cc2c(C)noc2C)ccc1F ZINC000190513953 464664320 /nfs/dbraw/zinc/66/43/20/464664320.db2.gz REFGVVMHMIWJIH-UHFFFAOYSA-N 0 0 328.365 2.260 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@@H]3COc2ncccc2F)s1 ZINC000247992368 464721403 /nfs/dbraw/zinc/72/14/03/464721403.db2.gz BDCGNLZVZFWAPW-LLVKDONJSA-N 0 0 336.392 2.055 40 0 EEABRN Cc1ccc(C(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)cn1 ZINC000248021056 464724297 /nfs/dbraw/zinc/72/42/97/464724297.db2.gz HVFYJKRDCLMNDW-KRWDZBQOSA-N 0 0 340.427 2.290 40 0 EEABRN Cc1ccc(C)c(CN2CC3(C2)C[C@@H](OCC(=O)N(C)C)CCO3)c1 ZINC000248027601 464724487 /nfs/dbraw/zinc/72/44/87/464724487.db2.gz SKMICMSPILQBKD-SFHVURJKSA-N 0 0 346.471 2.142 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCCCN(C)CC(F)(F)F ZINC000191115323 464779972 /nfs/dbraw/zinc/77/99/72/464779972.db2.gz NSTKZOYHHCWUGJ-NSHDSACASA-N 0 0 327.416 2.408 40 0 EEABRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000177047279 464915835 /nfs/dbraw/zinc/91/58/35/464915835.db2.gz JPPWOEIQQKHYNV-XJKSGUPXSA-N 0 0 348.447 2.356 40 0 EEABRN COc1cc(C)n(CCNC(=O)c2cccc(SC)c2)c(=O)c1 ZINC000252483300 464962039 /nfs/dbraw/zinc/96/20/39/464962039.db2.gz DYSBNBZZHQFZNC-UHFFFAOYSA-N 0 0 332.425 2.317 40 0 EEABRN CC1(C)Cc2cccc(S(=O)(=O)N(CCCCO)C3CC3)c2O1 ZINC000192636981 464965010 /nfs/dbraw/zinc/96/50/10/464965010.db2.gz RZKNZGOUBVBFAI-UHFFFAOYSA-N 0 0 339.457 2.326 40 0 EEABRN Cc1c(-c2nc(CCc3ccccc3)no2)cccc1S(N)(=O)=O ZINC000252491247 464966096 /nfs/dbraw/zinc/96/60/96/464966096.db2.gz LJOVSUMDRYPMDN-UHFFFAOYSA-N 0 0 343.408 2.478 40 0 EEABRN Cc1ccc(CN(C)C(=O)NCCN2CCc3ccccc3C2=O)o1 ZINC000252489849 464967129 /nfs/dbraw/zinc/96/71/29/464967129.db2.gz KCHKBEVMODQNFO-UHFFFAOYSA-N 0 0 341.411 2.428 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2ccnnc2)[C@@H](C)C1 ZINC000252497977 464969303 /nfs/dbraw/zinc/96/93/03/464969303.db2.gz QSTSSNMEUSNSMQ-HNNXBMFYSA-N 0 0 340.427 2.222 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCCc4c[nH]nc43)CCO2)n1 ZINC000252497248 464969864 /nfs/dbraw/zinc/96/98/64/464969864.db2.gz QCGCLAURWXSBRP-OLZOCXBDSA-N 0 0 347.444 2.335 40 0 EEABRN CCc1nc(CNC(=O)c2cnc(C3OCCO3)s2)cs1 ZINC000253405001 465001659 /nfs/dbraw/zinc/00/16/59/465001659.db2.gz XGGMGDJEKBWQQK-UHFFFAOYSA-N 0 0 325.415 2.137 40 0 EEABRN O=C(NCCc1cnc(C2CC2)nc1)NCC1(O)CCCCCC1 ZINC000253413940 465003586 /nfs/dbraw/zinc/00/35/86/465003586.db2.gz XLIZOJYNKLMTDZ-UHFFFAOYSA-N 0 0 332.448 2.281 40 0 EEABRN CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccccc3O)C2)no1 ZINC000253425283 465010036 /nfs/dbraw/zinc/01/00/36/465010036.db2.gz RWDIKCVVGWFEFJ-ZDUSSCGKSA-N 0 0 344.415 2.245 40 0 EEABRN Cc1cc([C@H]2CCCN2CC(=O)NC(N)=O)ccc1Br ZINC000253432358 465014539 /nfs/dbraw/zinc/01/45/39/465014539.db2.gz JVOHDPYLBWHTDT-GFCCVEGCSA-N 0 0 340.221 2.089 40 0 EEABRN O=S(=O)(N[C@H]1CCn2nccc2C1)c1cccc(C(F)(F)F)c1 ZINC000253471558 465015374 /nfs/dbraw/zinc/01/53/74/465015374.db2.gz DGNCKHMULFACIC-NSHDSACASA-N 0 0 345.346 2.195 40 0 EEABRN COCc1nsc(N2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC000253432696 465015401 /nfs/dbraw/zinc/01/54/01/465015401.db2.gz MRVNJMNROXYIIV-UHFFFAOYSA-N 0 0 338.458 2.145 40 0 EEABRN C[C@H]1CN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC[C@H]1O ZINC000253602276 465018780 /nfs/dbraw/zinc/01/87/80/465018780.db2.gz MQWULOCVSPUDPJ-SWLSCSKDSA-N 0 0 337.383 2.401 40 0 EEABRN O=C(Nc1ccn(CC(F)F)n1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000329923523 465475429 /nfs/dbraw/zinc/47/54/29/465475429.db2.gz IMNVGAGQQYWCBD-KRWDZBQOSA-N 0 0 348.353 2.812 40 0 EEABRN C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1CCN(CC(F)(F)F)CC1 ZINC000330443670 465662637 /nfs/dbraw/zinc/66/26/37/465662637.db2.gz WKPOIMHMSNOONS-VIFPVBQESA-N 0 0 346.353 2.291 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nccs3)CC2)o1 ZINC000332083552 466376667 /nfs/dbraw/zinc/37/66/67/466376667.db2.gz CGJJHFWVOFSGHW-GFCCVEGCSA-N 0 0 341.458 2.112 40 0 EEABRN O=C(Nc1ccn(CC(F)F)n1)N1CCC(c2ccncc2)CC1 ZINC000332103105 466388399 /nfs/dbraw/zinc/38/83/99/466388399.db2.gz DAKVDVIENLBSOT-UHFFFAOYSA-N 0 0 335.358 2.955 40 0 EEABRN CCC1(CC)[C@@H](NC(=O)CN2CCc3ccccc3C2=O)C[C@@H]1OC ZINC000332918789 466587762 /nfs/dbraw/zinc/58/77/62/466587762.db2.gz JXWWHWWXHLRUPF-IRXDYDNUSA-N 0 0 344.455 2.395 40 0 EEABRN CCOc1ccc(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 ZINC000390827790 467412730 /nfs/dbraw/zinc/41/27/30/467412730.db2.gz KFKKTNQSGFQZLV-HNNXBMFYSA-N 0 0 331.347 2.308 40 0 EEABRN CC1([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)COC4)C2)OCCO1 ZINC000390834236 467414138 /nfs/dbraw/zinc/41/41/38/467414138.db2.gz UZDBXFAGMHJKSX-QGZVFWFLSA-N 0 0 346.427 2.401 40 0 EEABRN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2ccncn2)C1 ZINC000575605009 468145962 /nfs/dbraw/zinc/14/59/62/468145962.db2.gz FRKLUMVENKWUNW-NSHDSACASA-N 0 0 338.289 2.184 40 0 EEABRN CC(C)c1nc(S(=O)(=O)NCc2cncc(C3CC3)c2)cn1C ZINC000575606895 468147040 /nfs/dbraw/zinc/14/70/40/468147040.db2.gz VLXOQZFPRPWNGU-UHFFFAOYSA-N 0 0 334.445 2.294 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609638 468147654 /nfs/dbraw/zinc/14/76/54/468147654.db2.gz YLCXNWYZOCNEFL-UHFFFAOYSA-N 0 0 340.402 2.384 40 0 EEABRN O=C(c1cnc2ccccc2c1)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093414 468963710 /nfs/dbraw/zinc/96/37/10/468963710.db2.gz VFBNOBQMPJKGLO-QGZVFWFLSA-N 0 0 345.349 2.222 40 0 EEABRN Cc1occc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@H]1C ZINC000585096867 468964599 /nfs/dbraw/zinc/96/45/99/468964599.db2.gz BSXJVIXIFRYKGP-GFCCVEGCSA-N 0 0 344.415 2.193 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C ZINC000585096783 468964700 /nfs/dbraw/zinc/96/47/00/468964700.db2.gz AJORPIGIZRXFCO-CQSZACIVSA-N 0 0 346.475 2.434 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1ccnc3ccccc31)[C@H]2C ZINC000585097397 468965516 /nfs/dbraw/zinc/96/55/16/468965516.db2.gz KWVIFKFCLPQJMR-LBPRGKRZSA-N 0 0 337.383 2.190 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc(Cl)c1)C2 ZINC000585102931 468970339 /nfs/dbraw/zinc/97/03/39/468970339.db2.gz JHTCBCRCCSLSRR-AWEZNQCLSA-N 0 0 343.876 2.366 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000585103615 468970942 /nfs/dbraw/zinc/97/09/42/468970942.db2.gz YKOMONMGKXCIDK-APWZRJJASA-N 0 0 330.428 2.082 40 0 EEABRN O=C(Cc1cccc(F)c1F)N1CC[C@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000585107682 468972058 /nfs/dbraw/zinc/97/20/58/468972058.db2.gz RYKZBJKIDRWIBW-LSDHHAIUSA-N 0 0 334.366 2.119 40 0 EEABRN O=C(NC[C@H]1CCC2(CN(Cc3ccoc3)C2)OC1)N1CCCC1 ZINC000585105393 468972626 /nfs/dbraw/zinc/97/26/26/468972626.db2.gz VZCWBHQXUDFZDA-OAHLLOKOSA-N 0 0 333.432 2.066 40 0 EEABRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000585140581 468989155 /nfs/dbraw/zinc/98/91/55/468989155.db2.gz HDSGCUBUJVOVRE-ZDUSSCGKSA-N 0 0 327.306 2.462 40 0 EEABRN CCO/C=C/[C@@](O)(CNC(=O)Nc1cccc(C)n1)C(F)(F)F ZINC000585140368 468989183 /nfs/dbraw/zinc/98/91/83/468989183.db2.gz CDIRMPPRMAFDKC-SBDDDAINSA-N 0 0 333.310 2.355 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)C2CCOCC2)C1 ZINC000585276911 469002441 /nfs/dbraw/zinc/00/24/41/469002441.db2.gz KKRIZTFVCUZFPM-LJQANCHMSA-N 0 0 333.428 2.154 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3ncc[nH]3)[C@H]2O)cc1 ZINC000585286364 469009182 /nfs/dbraw/zinc/00/91/82/469009182.db2.gz WVIRSRISDUVXCE-FVQBIDKESA-N 0 0 329.400 2.057 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3ncc[nH]3)[C@H]2O)c1 ZINC000585285994 469009842 /nfs/dbraw/zinc/00/98/42/469009842.db2.gz GVKKQWAUDRVDGT-FVQBIDKESA-N 0 0 329.400 2.057 40 0 EEABRN COc1ccccc1CC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000131227692 534013795 /nfs/dbraw/zinc/01/37/95/534013795.db2.gz CEVKFERSBXBKMZ-INIZCTEOSA-N 0 0 325.412 2.418 40 0 EEABRN CC(C)(C)c1ccc2c(c1)CN(C(=O)CCN1C(=O)CCC1=O)CC2 ZINC000181268139 526792910 /nfs/dbraw/zinc/79/29/10/526792910.db2.gz MVFWSKJFCHURPE-UHFFFAOYSA-N 0 0 342.439 2.408 40 0 EEABRN CCN1CCC([NH+]2CCC(c3cc(=O)n4[n-]ccc4n3)CC2)CC1 ZINC000257251611 535462442 /nfs/dbraw/zinc/46/24/42/535462442.db2.gz JRLJRJLQYDFNMA-UHFFFAOYSA-N 0 0 329.448 2.099 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)on1 ZINC000257310580 536107384 /nfs/dbraw/zinc/10/73/84/536107384.db2.gz UFTDAQJYJDJFLX-INIZCTEOSA-N 0 0 342.399 2.245 40 0 EEABRN COc1ccc(C(=O)NCc2ccnc(N3CCCC3)n2)cc1OC ZINC000224197244 536750794 /nfs/dbraw/zinc/75/07/94/536750794.db2.gz FZBCENOYYMYCJH-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN COCc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c(OC)co2)o1 ZINC000253395184 536796206 /nfs/dbraw/zinc/79/62/06/536796206.db2.gz GJUBVDBGUCOAEK-LBPRGKRZSA-N 0 0 333.340 2.365 40 0 EEABRN Cc1ccc(Br)c(C(=O)N[C@@H](CO)Cc2ccccc2)n1 ZINC000935063973 1208087702 /nfs/dbraw/zinc/08/77/02/1208087702.db2.gz FAWVHWVFPSCBNQ-CYBMUJFWSA-N 0 0 349.228 2.486 40 0 EEABRN COCCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 ZINC000008105417 1352028492 /nfs/dbraw/zinc/02/84/92/1352028492.db2.gz FRNSIAOEBCQIDD-LJQANCHMSA-N 0 0 340.423 2.082 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000173647114 230995234 /nfs/dbraw/zinc/99/52/34/230995234.db2.gz CHVYJSNYQBHYPT-PLMTUMEDSA-N 0 0 348.450 2.466 40 0 EEABRN COc1cc([C@@H](C)NC(=O)Nc2cc(C)on2)ccc1OCCO ZINC000056343532 214371551 /nfs/dbraw/zinc/37/15/51/214371551.db2.gz WSZKCCAFGBXGSS-LLVKDONJSA-N 0 0 335.360 2.245 40 0 EEABRN Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)OC12CCCCC2 ZINC000057355688 214423174 /nfs/dbraw/zinc/42/31/74/214423174.db2.gz QHQWNXUZKOCHMM-OAHLLOKOSA-N 0 0 333.432 2.261 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000187257262 529857847 /nfs/dbraw/zinc/85/78/47/529857847.db2.gz RKWJGVLXKSLWQI-UHFFFAOYSA-N 0 0 346.349 2.388 40 0 EEABRN COC(=O)[C@H]1[C@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000004293684 210162496 /nfs/dbraw/zinc/16/24/96/210162496.db2.gz BBHHZABAQRSDBH-GWFKTICUSA-N 0 0 349.383 2.421 40 0 EEABRN COc1ccc(CC(=O)N2N=C(C)C[C@@]2(O)c2ccncc2)cc1 ZINC000004030108 210104739 /nfs/dbraw/zinc/10/47/39/210104739.db2.gz DHBPKNJLJHFMKY-GOSISDBHSA-N 0 0 325.368 2.086 40 0 EEABRN Cn1nc(C(=O)NC2CC2)c(F)c1NC(=O)CCc1ccccc1 ZINC000041070630 213413686 /nfs/dbraw/zinc/41/36/86/213413686.db2.gz ZNXKWHNXWMCLNR-UHFFFAOYSA-N 0 0 330.363 2.023 40 0 EEABRN CCOC(=O)c1cc(C(=O)OCC)c(=N)n2c3ccccc3[nH]c12 ZINC000104221225 219361895 /nfs/dbraw/zinc/36/18/95/219361895.db2.gz UWSFWWWCYYRWTB-UHFFFAOYSA-N 0 0 327.340 2.253 40 0 EEABRN C[C@H]1CN(C(=O)Cc2noc(/C=C/C3(C)CCOCC3)n2)C[C@H](C)O1 ZINC000333804896 539805053 /nfs/dbraw/zinc/80/50/53/539805053.db2.gz GWLXRQSFTUZHRD-CTXXGXLOSA-N 0 0 349.431 2.078 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCn2ncc3cc(C)ccc32)CC1 ZINC000040758721 213383687 /nfs/dbraw/zinc/38/36/87/213383687.db2.gz XBDHIYOLAHHZAK-UHFFFAOYSA-N 0 0 344.415 2.036 40 0 EEABRN CC(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000040465605 213309644 /nfs/dbraw/zinc/30/96/44/213309644.db2.gz JRCFCEFZMSHIAY-KUHUBIRLSA-N 0 0 346.427 2.270 40 0 EEABRN COc1cccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000001357916 209730071 /nfs/dbraw/zinc/73/00/71/209730071.db2.gz BSMKDMBLIQTZKA-HNNXBMFYSA-N 0 0 326.400 2.018 40 0 EEABRN CC[C@H](CCNS(=O)(=O)c1cnn(C(F)F)c1C)n1cccn1 ZINC000036615006 213102907 /nfs/dbraw/zinc/10/29/07/213102907.db2.gz JOYHBHMASOSXBA-LLVKDONJSA-N 0 0 347.391 2.103 40 0 EEABRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072243320 216082308 /nfs/dbraw/zinc/08/23/08/216082308.db2.gz OLMAGKSKMYTIGB-MRXNPFEDSA-N 0 0 333.384 2.410 40 0 EEABRN COc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000072237940 216076337 /nfs/dbraw/zinc/07/63/37/216076337.db2.gz YPJBLJKUBLDBHS-ZWKOTPCHSA-N 0 0 340.379 2.232 40 0 EEABRN Cc1cc(-c2cc(=O)n(CC(=O)N(C)C)nc2-c2cccs2)on1 ZINC000072337030 216157627 /nfs/dbraw/zinc/15/76/27/216157627.db2.gz UARCGDSQZMIDGP-UHFFFAOYSA-N 0 0 344.396 2.023 40 0 EEABRN Cc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)N3CCCC3)c(=O)n12 ZINC000072347046 216160546 /nfs/dbraw/zinc/16/05/46/216160546.db2.gz PDCPTQAOZGVOJY-UHFFFAOYSA-N 0 0 338.411 2.197 40 0 EEABRN Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)c2sc(C)c(C)n12 ZINC000072351271 216162370 /nfs/dbraw/zinc/16/23/70/216162370.db2.gz LEKLIJSHOYHQNA-GFCCVEGCSA-N 0 0 327.475 2.460 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377801 216179953 /nfs/dbraw/zinc/17/99/53/216179953.db2.gz XIWDNVMGKNMCPV-CQSZACIVSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000130978864 223193327 /nfs/dbraw/zinc/19/33/27/223193327.db2.gz MEDRPXRPFLWPCZ-OAHLLOKOSA-N 0 0 328.416 2.404 40 0 EEABRN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1cccc2c1OCCO2 ZINC000073285781 216373983 /nfs/dbraw/zinc/37/39/83/216373983.db2.gz ZSEPUPUGROPCFK-LLVKDONJSA-N 0 0 329.400 2.293 40 0 EEABRN COc1ccccc1CCN(C)C(=O)C1(O)Cc2ccccc2C1 ZINC000073390945 216383066 /nfs/dbraw/zinc/38/30/66/216383066.db2.gz STCQJNHVOFNVCY-UHFFFAOYSA-N 0 0 325.408 2.226 40 0 EEABRN O=C(NCCN1CCOCC1)c1ccc(COc2ccc(F)cc2)o1 ZINC000022690062 212317717 /nfs/dbraw/zinc/31/77/17/212317717.db2.gz OSTPBYIYPQGLDQ-UHFFFAOYSA-N 0 0 348.374 2.060 40 0 EEABRN Cc1nnsc1-c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000193310242 240100331 /nfs/dbraw/zinc/10/03/31/240100331.db2.gz IGVHXIXOSNUCIA-UHFFFAOYSA-N 0 0 343.412 2.396 40 0 EEABRN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)N1CCc2ccccc21 ZINC000193478327 240182796 /nfs/dbraw/zinc/18/27/96/240182796.db2.gz HRGYLMDCCPWHBU-OAHLLOKOSA-N 0 0 336.395 2.068 40 0 EEABRN CCOc1ccccc1C(=O)N1CCN(c2nc(C)cnc2C)CC1 ZINC000195563710 241013509 /nfs/dbraw/zinc/01/35/09/241013509.db2.gz TVRPWFYYTJREBO-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC2)cc1 ZINC000225096777 241794442 /nfs/dbraw/zinc/79/44/42/241794442.db2.gz MAPVQXXZYCARBJ-WJDWOHSUSA-N 0 0 326.352 2.338 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225411679 241849765 /nfs/dbraw/zinc/84/97/65/241849765.db2.gz WBZLWFBZEYFCMD-SECBINFHSA-N 0 0 338.161 2.126 40 0 EEABRN C[C@H](O)CN(C)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000225583350 241936600 /nfs/dbraw/zinc/93/66/00/241936600.db2.gz TXOJOTAFLQTQSO-ZETCQYMHSA-N 0 0 342.642 2.104 40 0 EEABRN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCCCCC1=O ZINC000227115656 242121807 /nfs/dbraw/zinc/12/18/07/242121807.db2.gz YERIZCQQEBQNBG-INIZCTEOSA-N 0 0 329.444 2.126 40 0 EEABRN CCOC(=O)CC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000227163456 242126032 /nfs/dbraw/zinc/12/60/32/242126032.db2.gz YJGQBRZRUPLPJI-UHFFFAOYSA-N 0 0 333.369 2.287 40 0 EEABRN CN(Cc1ccco1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000021699321 212239814 /nfs/dbraw/zinc/23/98/14/212239814.db2.gz HIWMRHAJOGRDHR-UHFFFAOYSA-N 0 0 334.397 2.227 40 0 EEABRN CCn1cnnc1[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000242302379 243016825 /nfs/dbraw/zinc/01/68/25/243016825.db2.gz YSDCUAGIRHRKEJ-AWEZNQCLSA-N 0 0 327.436 2.072 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCO[C@@H]2C)c1 ZINC000252497098 243815820 /nfs/dbraw/zinc/81/58/20/243815820.db2.gz PZBFKKGYEYHRJL-ABAIWWIYSA-N 0 0 347.864 2.282 40 0 EEABRN COC(=O)Cc1occc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000252509143 243835408 /nfs/dbraw/zinc/83/54/08/243835408.db2.gz YCZSKUGNGCLGBD-SNVBAGLBSA-N 0 0 331.324 2.215 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)n[nH]c2C)C[C@H]1c1ccccc1 ZINC000257200753 244117640 /nfs/dbraw/zinc/11/76/40/244117640.db2.gz AETPJKSMMSLQJT-SFHVURJKSA-N 0 0 340.427 2.001 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)ccn1 ZINC000257224362 244193485 /nfs/dbraw/zinc/19/34/85/244193485.db2.gz FBNHHOGBKXZCFY-MRXNPFEDSA-N 0 0 327.432 2.343 40 0 EEABRN Cc1cncc([C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257232119 244216984 /nfs/dbraw/zinc/21/69/84/244216984.db2.gz GJMIAEAMZCEAPJ-MRXNPFEDSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1ccnc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257227549 244203789 /nfs/dbraw/zinc/20/37/89/244203789.db2.gz FPVNJWDBJSKRAQ-MRXNPFEDSA-N 0 0 329.375 2.457 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)cc2n1 ZINC000257231998 244215444 /nfs/dbraw/zinc/21/54/44/244215444.db2.gz GIYPIZKAICLWSG-GOSISDBHSA-N 0 0 349.438 2.475 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2ccncc2)CCN1C(C)=O ZINC000257235741 244229462 /nfs/dbraw/zinc/22/94/62/244229462.db2.gz GZEMTTCODJIVAU-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN O=C(c1ccnnc1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257240609 244241864 /nfs/dbraw/zinc/24/18/64/244241864.db2.gz HUHKHOFKSSVOEO-MRXNPFEDSA-N 0 0 348.406 2.356 40 0 EEABRN CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(F)cc1 ZINC000257242292 244247270 /nfs/dbraw/zinc/24/72/70/244247270.db2.gz IBUQOWOGVVIFGN-GOSISDBHSA-N 0 0 328.391 2.195 40 0 EEABRN CCc1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000257256978 244285517 /nfs/dbraw/zinc/28/55/17/244285517.db2.gz KNPLFSCKQWUEGE-BFYDXBDKSA-N 0 0 330.384 2.328 40 0 EEABRN CN(C(=O)c1csc(-c2ccccc2)n1)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257267442 244364771 /nfs/dbraw/zinc/36/47/71/244364771.db2.gz MHIRHEPUAJMKPV-RBSFLKMASA-N 0 0 332.425 2.156 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257268888 244370721 /nfs/dbraw/zinc/37/07/21/244370721.db2.gz MNQUUPDRXFXTPB-MRXNPFEDSA-N 0 0 344.436 2.104 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1 ZINC000257276054 244391333 /nfs/dbraw/zinc/39/13/33/244391333.db2.gz NSESFAVEUGRUEF-SFHVURJKSA-N 0 0 336.395 2.490 40 0 EEABRN Cc1nn(C)cc1CCC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257305715 244477103 /nfs/dbraw/zinc/47/71/03/244477103.db2.gz SRDXPMTVTRNUCP-INIZCTEOSA-N 0 0 343.431 2.009 40 0 EEABRN COCC(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1 ZINC000019593018 212050196 /nfs/dbraw/zinc/05/01/96/212050196.db2.gz IBOJRCKQRGEECW-UHFFFAOYSA-N 0 0 342.424 2.436 40 0 EEABRN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC(C)CC3)C2=O)cc1 ZINC000019496828 212032198 /nfs/dbraw/zinc/03/21/98/212032198.db2.gz OBGCMPBFYCSSHX-INIZCTEOSA-N 0 0 329.400 2.009 40 0 EEABRN Cn1ccnc1N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000049342721 214001214 /nfs/dbraw/zinc/00/12/14/214001214.db2.gz PADLARFCHABYKN-UHFFFAOYSA-N 0 0 336.798 2.104 40 0 EEABRN CC(C)c1nc(C[S@](=O)CC(=O)NCC(F)(F)F)cs1 ZINC000078394668 217046324 /nfs/dbraw/zinc/04/63/24/217046324.db2.gz JRXKYTDBKKGJKP-HXUWFJFHSA-N 0 0 328.381 2.194 40 0 EEABRN CN(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000078611477 217086562 /nfs/dbraw/zinc/08/65/62/217086562.db2.gz TZOSDGCGGGOHNY-CQSZACIVSA-N 0 0 333.432 2.492 40 0 EEABRN COCc1cc(CNC(=O)C(=O)Nc2cccc(F)c2)ccc1F ZINC000078665001 217098450 /nfs/dbraw/zinc/09/84/50/217098450.db2.gz NWTZRZQLTNIVRX-UHFFFAOYSA-N 0 0 334.322 2.366 40 0 EEABRN Cc1cc(C)n2ncc(-c3noc(CN4CCCCCC4=O)n3)c2n1 ZINC000078774378 217118284 /nfs/dbraw/zinc/11/82/84/217118284.db2.gz NCMSNZUHELOBRC-UHFFFAOYSA-N 0 0 340.387 2.299 40 0 EEABRN O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917069 217147287 /nfs/dbraw/zinc/14/72/87/217147287.db2.gz SEZKBDDMJMBLGI-GFCCVEGCSA-N 0 0 332.354 2.149 40 0 EEABRN C[C@@H](Oc1ccccc1Br)C(=O)NCCC[S@](C)=O ZINC000079001726 217172296 /nfs/dbraw/zinc/17/22/96/217172296.db2.gz FGDGPQOOBPASHT-GIGQVBGESA-N 0 0 348.262 2.101 40 0 EEABRN CCc1noc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926811 217342125 /nfs/dbraw/zinc/34/21/25/217342125.db2.gz OPPCIPOSFSHJLD-ZDUSSCGKSA-N 0 0 329.404 2.186 40 0 EEABRN Cc1nsc(N2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)n1 ZINC000081304129 217380331 /nfs/dbraw/zinc/38/03/31/217380331.db2.gz XUZGVVSPQVWNKV-UHFFFAOYSA-N 0 0 348.476 2.151 40 0 EEABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000081629259 217430618 /nfs/dbraw/zinc/43/06/18/217430618.db2.gz WXJNFCGDVSVXPV-LBPRGKRZSA-N 0 0 332.379 2.462 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000013672843 211603327 /nfs/dbraw/zinc/60/33/27/211603327.db2.gz PPALZVKRGDIERM-GJZGRUSLSA-N 0 0 338.473 2.408 40 0 EEABRN Cc1oc2ncn3nc([C@H](C)NC(=O)C4CCOCC4)nc3c2c1C ZINC000012236151 211328423 /nfs/dbraw/zinc/32/84/23/211328423.db2.gz DTKNCVDDBVQAIV-JTQLQIEISA-N 0 0 343.387 2.091 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C ZINC000012196194 211317934 /nfs/dbraw/zinc/31/79/34/211317934.db2.gz RZZPZTLJAJJRRI-JDNHERCYSA-N 0 0 330.363 2.221 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)NC4CCCC4)nc(C)n23)s1 ZINC000012115355 211294470 /nfs/dbraw/zinc/29/44/70/211294470.db2.gz JBGODLWWSORYOE-UHFFFAOYSA-N 0 0 344.440 2.386 40 0 EEABRN O=C(c1cccnc1)N1Cc2ccccc2OC[C@@H]1Cn1ccnc1 ZINC000012128208 284717588 /nfs/dbraw/zinc/71/75/88/284717588.db2.gz JVYZFYGURHMJGI-KRWDZBQOSA-N 0 0 334.379 2.382 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 ZINC000096239114 284734306 /nfs/dbraw/zinc/73/43/06/284734306.db2.gz XIIFLAZMOKSPCM-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN COc1ccc(-n2nc3ccc(NC(=S)NC(C)=O)cc3n2)cc1 ZINC000009140505 211044676 /nfs/dbraw/zinc/04/46/76/211044676.db2.gz HVLWDOKJKHWAFZ-UHFFFAOYSA-N 0 0 341.396 2.262 40 0 EEABRN O=C(NCc1ccco1)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000095413147 218350357 /nfs/dbraw/zinc/35/03/57/218350357.db2.gz JBMNPOARWBXUMU-UHFFFAOYSA-N 0 0 338.411 2.456 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000095436876 218379455 /nfs/dbraw/zinc/37/94/55/218379455.db2.gz SJHBFEMKCINNOF-ZDUSSCGKSA-N 0 0 344.242 2.456 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)[C@@H](CO)c2cccc(F)c2)C1 ZINC000095432972 218375442 /nfs/dbraw/zinc/37/54/42/218375442.db2.gz RBLZMUHGCWJVJN-ZENOOKHLSA-N 0 0 344.452 2.014 40 0 EEABRN NC(=O)NCCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000095446789 218390961 /nfs/dbraw/zinc/39/09/61/218390961.db2.gz QQEKHTXOBVWAME-SFHVURJKSA-N 0 0 337.423 2.414 40 0 EEABRN CC(C)CC[C@H]1CCCN(C(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000095450020 218394321 /nfs/dbraw/zinc/39/43/21/218394321.db2.gz GSSPHFCDLQAFLL-CYBMUJFWSA-N 0 0 343.431 2.117 40 0 EEABRN COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000008167164 210906680 /nfs/dbraw/zinc/90/66/80/210906680.db2.gz JKLQVUSXIYYCGB-UHFFFAOYSA-N 0 0 340.379 2.420 40 0 EEABRN COc1ccc(-c2nc(=O)[nH]c(N)c2C(=O)Nc2ccccc2)cc1 ZINC000095619074 218446298 /nfs/dbraw/zinc/44/62/98/218446298.db2.gz SQRWQIGETJATRO-UHFFFAOYSA-N 0 0 336.351 2.280 40 0 EEABRN CO[C@@]1(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CCSC1 ZINC000096097678 218590742 /nfs/dbraw/zinc/59/07/42/218590742.db2.gz GHTWTGJYTMHDPU-MRXNPFEDSA-N 0 0 341.498 2.366 40 0 EEABRN O=C(c1cccs1)N1CC[C@@H]2[C@@H](CO[C@@H]2CNc2ncccn2)C1 ZINC000096187354 218653574 /nfs/dbraw/zinc/65/35/74/218653574.db2.gz XTBJDXYDWGKJHZ-MGPQQGTHSA-N 0 0 344.440 2.127 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)Cc2ccc3c(c2)OCO3)cs1 ZINC000096218471 218693819 /nfs/dbraw/zinc/69/38/19/218693819.db2.gz BXWYXIWOFMDQER-AWEZNQCLSA-N 0 0 346.408 2.323 40 0 EEABRN Cc1nc(CN2C[C@@]3(CCN(c4ncc(C)cn4)C3)CC2=O)cs1 ZINC000096239357 218711648 /nfs/dbraw/zinc/71/16/48/218711648.db2.gz YLGUZOCRFVXJKM-KRWDZBQOSA-N 0 0 343.456 2.179 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccsc1)CC2 ZINC000096423943 218792014 /nfs/dbraw/zinc/79/20/14/218792014.db2.gz WKPUMCMAMBUJKX-UHFFFAOYSA-N 0 0 336.438 2.249 40 0 EEABRN CCc1nc(C)ncc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F ZINC000096436549 218816467 /nfs/dbraw/zinc/81/64/67/218816467.db2.gz PNRJUCGNHVOBBB-KRWDZBQOSA-N 0 0 335.354 2.263 40 0 EEABRN C[S@](=O)C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000096445443 218828385 /nfs/dbraw/zinc/82/83/85/218828385.db2.gz GHSCHIFAKWOCPC-NPMXOYFQSA-N 0 0 331.441 2.138 40 0 EEABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)CCS(C)(=O)=O ZINC000096449568 218832128 /nfs/dbraw/zinc/83/21/28/218832128.db2.gz KDWYOKOONGRTKB-LBPRGKRZSA-N 0 0 337.445 2.229 40 0 EEABRN CCN1C[C@H](COC(=O)c2cnn(-c3ccc(F)cc3F)c2)CC1=O ZINC000096485228 218861019 /nfs/dbraw/zinc/86/10/19/218861019.db2.gz ASIFZAQBKOEMLZ-LLVKDONJSA-N 0 0 349.337 2.176 40 0 EEABRN COc1cccc(C[C@@H](NC(=O)N2CCC[C@@H](CO)C2)C2CC2)c1 ZINC000096485180 218861170 /nfs/dbraw/zinc/86/11/70/218861170.db2.gz SFHWCNJCBABXJZ-CRAIPNDOSA-N 0 0 332.444 2.430 40 0 EEABRN CC(C)(O)[C@H]1CCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000096502787 218879940 /nfs/dbraw/zinc/87/99/40/218879940.db2.gz JAYYPBPZWUPKLI-MRXNPFEDSA-N 0 0 328.416 2.317 40 0 EEABRN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1 ZINC000096493291 218870628 /nfs/dbraw/zinc/87/06/28/218870628.db2.gz MPGADRLGWPETJB-HOTGVXAUSA-N 0 0 340.370 2.209 40 0 EEABRN C[C@@H](NC(=O)c1cccnc1Cl)c1nnc(-c2ccncc2)[nH]1 ZINC000005001921 210356910 /nfs/dbraw/zinc/35/69/10/210356910.db2.gz IRRGKLMTAYOKTJ-SECBINFHSA-N 0 0 328.763 2.406 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)s2)o1 ZINC000097237739 219003520 /nfs/dbraw/zinc/00/35/20/219003520.db2.gz AXJFRGNEMCTHOI-ZYHUDNBSSA-N 0 0 334.397 2.079 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(OC)cc1 ZINC000257300480 285155153 /nfs/dbraw/zinc/15/51/53/285155153.db2.gz RUMIZFMLVIFDPX-AEFFLSMTSA-N 0 0 348.443 2.100 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1Cl ZINC000408551894 257896994 /nfs/dbraw/zinc/89/69/94/257896994.db2.gz JMYIFPXJZQLHIF-UHFFFAOYSA-N 0 0 349.749 2.173 40 0 EEABRN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280767042 257986676 /nfs/dbraw/zinc/98/66/76/257986676.db2.gz VDXDOPWFZFWGDD-GMOODISLSA-N 0 0 333.812 2.132 40 0 EEABRN CC[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cc(F)cc(Br)c1 ZINC000331121930 258002312 /nfs/dbraw/zinc/00/23/12/258002312.db2.gz MMEBKIHSPGDHDI-NWDGAFQWSA-N 0 0 343.196 2.434 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)C[C@@H](C)O1 ZINC000072241941 296862735 /nfs/dbraw/zinc/86/27/35/296862735.db2.gz SKZIIOCBFKNQSF-ZHCAMHROSA-N 0 0 348.418 2.371 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000247970896 287315848 /nfs/dbraw/zinc/31/58/48/287315848.db2.gz AHROYOFTHSBXBC-BPLDGKMQSA-N 0 0 336.457 2.170 40 0 EEABRN Cc1nnc(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000172663702 227827751 /nfs/dbraw/zinc/82/77/51/227827751.db2.gz LKLGHYRNNSCFPQ-GFCCVEGCSA-N 0 0 334.807 2.359 40 0 EEABRN CCOc1cncc(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000096480586 276384671 /nfs/dbraw/zinc/38/46/71/276384671.db2.gz OSAMLASPBXNHAT-UHFFFAOYSA-N 0 0 332.429 2.289 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000096412829 278540580 /nfs/dbraw/zinc/54/05/80/278540580.db2.gz MJPGBGYXZKRKMQ-UWVGGRQHSA-N 0 0 335.347 2.353 40 0 EEABRN CC(C)(C)n1nc(C(=O)N2CCOC[C@@]23CCOC3)cc1C1CC1 ZINC000194391846 278583952 /nfs/dbraw/zinc/58/39/52/278583952.db2.gz UDYPSEYKNVWQCM-SFHVURJKSA-N 0 0 333.432 2.147 40 0 EEABRN Cn1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484473 279330810 /nfs/dbraw/zinc/33/08/10/279330810.db2.gz YPQFFWWWGZKPHF-HUUCEWRRSA-N 0 0 336.798 2.388 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000113967997 280105427 /nfs/dbraw/zinc/10/54/27/280105427.db2.gz UIMWIDVYVLMXFJ-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)CCc2ccccc2)cc(=O)[nH]1 ZINC000257307024 293348063 /nfs/dbraw/zinc/34/80/63/293348063.db2.gz SWXRPUOSHYCEGV-INIZCTEOSA-N 0 0 327.384 2.023 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCc2cc(F)ccc21)n1nnnc1C(C)(C)C ZINC000331690844 311890830 /nfs/dbraw/zinc/89/08/30/311890830.db2.gz XBAZYDRAQZXMTN-IINYFYTJSA-N 0 0 331.395 2.474 40 0 EEABRN CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1ccc(Cl)cc1F ZINC000334075415 312236792 /nfs/dbraw/zinc/23/67/92/312236792.db2.gz PNPVNPWIOXURLO-WCQYABFASA-N 0 0 327.787 2.193 40 0 EEABRN CC(C)(C)n1c2ccccc2nc1NC(=O)CNC(=O)NC1CC1 ZINC000096403936 442113540 /nfs/dbraw/zinc/11/35/40/442113540.db2.gz REDQYLZJWLYRBN-UHFFFAOYSA-N 0 0 329.404 2.191 40 0 EEABRN Cn1cc(N2CC[C@H](Sc3nncc4ccccc43)C2=O)cn1 ZINC000097377701 323322396 /nfs/dbraw/zinc/32/23/96/323322396.db2.gz OFDOHUFLPUXRSW-AWEZNQCLSA-N 0 0 325.397 2.261 40 0 EEABRN C[C@@]1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCCO1 ZINC000189243855 323462592 /nfs/dbraw/zinc/46/25/92/323462592.db2.gz AXHUHFYYANVISM-AWEZNQCLSA-N 0 0 337.386 2.129 40 0 EEABRN Cc1cccc(CNC(=O)NCCC(=O)N(C)C)c1Br ZINC000188724832 464353057 /nfs/dbraw/zinc/35/30/57/464353057.db2.gz MPLOZYCEGKPYTA-UHFFFAOYSA-N 0 0 342.237 2.035 40 0 EEABRN COc1cc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2cc1OC ZINC000000319597 462555141 /nfs/dbraw/zinc/55/51/41/462555141.db2.gz NEWKEMMKCBXRSN-UHFFFAOYSA-N 0 0 340.335 2.440 40 0 EEABRN O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1c3ccccc3[C@@H]2[C@H]2C=C[C@@H]21 ZINC000045070892 462556312 /nfs/dbraw/zinc/55/63/12/462556312.db2.gz KBUQWNAHXXEYIA-XLAORIBOSA-N 0 0 329.359 2.109 40 0 EEABRN O=S1(=O)CCCN1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000060874791 462568025 /nfs/dbraw/zinc/56/80/25/462568025.db2.gz MQASQLPRDPNKQB-UHFFFAOYSA-N 0 0 343.758 2.201 40 0 EEABRN C[C@@H](CNC(=O)N1CC[C@@H](Cc2ccccc2)C1)CN1CCOCC1 ZINC000074372512 462592442 /nfs/dbraw/zinc/59/24/42/462592442.db2.gz IRESVKFTRFWBNU-HKUYNNGSSA-N 0 0 345.487 2.229 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@@H](Cc2ccccc2)C1)CN1CCOCC1 ZINC000074372515 462592513 /nfs/dbraw/zinc/59/25/13/462592513.db2.gz IRESVKFTRFWBNU-MJGOQNOKSA-N 0 0 345.487 2.229 40 0 EEABRN C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000002831322 462604083 /nfs/dbraw/zinc/60/40/83/462604083.db2.gz MMFCGDGZKRGDII-UUIJZJDISA-N 0 0 334.169 2.282 40 0 EEABRN O=C(CC[C@H]1CCCO1)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088236462 462617734 /nfs/dbraw/zinc/61/77/34/462617734.db2.gz PGLALKLYWNKGTJ-RISCZKNCSA-N 0 0 338.354 2.146 40 0 EEABRN COc1cccc(N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000113967272 462618709 /nfs/dbraw/zinc/61/87/09/462618709.db2.gz UVECCRRWFYLUOQ-UHFFFAOYSA-N 0 0 342.461 2.156 40 0 EEABRN CCc1cc(N2C[C@H](C(N)=O)CC2=O)cc(C)c1Br ZINC000045889625 462627668 /nfs/dbraw/zinc/62/76/68/462627668.db2.gz QZIIWNGZMGLFPT-SNVBAGLBSA-N 0 0 325.206 2.158 40 0 EEABRN CCn1cc(CNc2ncnc3c2cnn3-c2ccccn2)c(C)n1 ZINC000046088349 462646530 /nfs/dbraw/zinc/64/65/30/462646530.db2.gz OWVUGUMYEFHSSB-UHFFFAOYSA-N 0 0 334.387 2.347 40 0 EEABRN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000005674107 462666421 /nfs/dbraw/zinc/66/64/21/462666421.db2.gz GJVHPHBKLYFZHR-STQMWFEESA-N 0 0 342.436 2.141 40 0 EEABRN CC(C)(C)NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000063888092 462681305 /nfs/dbraw/zinc/68/13/05/462681305.db2.gz HYYCSHRTXSWMHW-UHFFFAOYSA-N 0 0 326.462 2.433 40 0 EEABRN CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006298385 462681581 /nfs/dbraw/zinc/68/15/81/462681581.db2.gz JMCGNIBHKLPGHA-UHFFFAOYSA-N 0 0 339.244 2.186 40 0 EEABRN CCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000006324972 462683070 /nfs/dbraw/zinc/68/30/70/462683070.db2.gz AHXVCGRUWMEOKP-LBPRGKRZSA-N 0 0 329.418 2.014 40 0 EEABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCCNC1=O ZINC000064098387 462686811 /nfs/dbraw/zinc/68/68/11/462686811.db2.gz GWVQLMPCCZQLKJ-LBPRGKRZSA-N 0 0 333.388 2.266 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc4C3)nn2)n1 ZINC000075163900 462689731 /nfs/dbraw/zinc/68/97/31/462689731.db2.gz XSOQCJOLXKEEOH-UHFFFAOYSA-N 0 0 333.395 2.478 40 0 EEABRN Cn1cc(C(=O)OC2CN(c3nc4c(cccc4Cl)s3)C2)nn1 ZINC000075172334 462690532 /nfs/dbraw/zinc/69/05/32/462690532.db2.gz PMQFIEBUMWJGNH-UHFFFAOYSA-N 0 0 349.803 2.124 40 0 EEABRN CN(C(=O)[C@@H]1COc2ccc(Br)cc21)c1ccnn1C ZINC000089916797 462742161 /nfs/dbraw/zinc/74/21/61/462742161.db2.gz XWISNBQKADIMOW-LLVKDONJSA-N 0 0 336.189 2.322 40 0 EEABRN COc1ccc(CCC(=O)N2CCN(Cc3ncc(C)o3)CC2)cc1 ZINC000075649745 462746195 /nfs/dbraw/zinc/74/61/95/462746195.db2.gz HSFWALKMIOIWKI-UHFFFAOYSA-N 0 0 343.427 2.269 40 0 EEABRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)no1 ZINC000008412944 462783317 /nfs/dbraw/zinc/78/33/17/462783317.db2.gz ZKLUXEXJRUBKFB-UHFFFAOYSA-N 0 0 345.355 2.274 40 0 EEABRN O=C(c1ccccc1)N1[C@@H]2CC[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000008655551 462790434 /nfs/dbraw/zinc/79/04/34/462790434.db2.gz YEGHIFVIHFADNY-XMTFNYHQSA-N 0 0 346.386 2.479 40 0 EEABRN NC1=NN(c2ccccc2)C(=O)C1=CNC(=S)NC1CCCCC1 ZINC000008665242 462790597 /nfs/dbraw/zinc/79/05/97/462790597.db2.gz VCMKODFMCZOALG-SDNWHVSQSA-N 0 0 343.456 2.196 40 0 EEABRN CCOC(=O)c1nc2ccc(C)cn2c1I ZINC000090470958 462793801 /nfs/dbraw/zinc/79/38/01/462793801.db2.gz VOCGLGLJKQMRGX-UHFFFAOYSA-N 0 0 330.125 2.424 40 0 EEABRN COc1ccc2[nH]cc(NC(=O)NCCc3ccncc3)c(=O)c2c1 ZINC000013565921 462895137 /nfs/dbraw/zinc/89/51/37/462895137.db2.gz GWMBEWDYMAHNTQ-UHFFFAOYSA-N 0 0 338.367 2.296 40 0 EEABRN CC[C@H](C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715080 462901069 /nfs/dbraw/zinc/90/10/69/462901069.db2.gz ZBUGBHHFEKDKHM-CYBMUJFWSA-N 0 0 330.425 2.285 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)N(CC(F)F)C2CC2)ccc1F ZINC000076830643 462913789 /nfs/dbraw/zinc/91/37/89/462913789.db2.gz XLMZMOLLCSBYQT-UHFFFAOYSA-N 0 0 336.335 2.202 40 0 EEABRN O=C(NCC[C@@H](O)c1ccco1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077111297 462940174 /nfs/dbraw/zinc/94/01/74/462940174.db2.gz FECBCIULTNLHAA-IUODEOHRSA-N 0 0 346.358 2.012 40 0 EEABRN Cc1nc2ncnn2c(N2CCC(c3nnc(C4CC4)[nH]3)CC2)c1C ZINC000077215132 462954706 /nfs/dbraw/zinc/95/47/06/462954706.db2.gz AUJWJXARYLNDKL-UHFFFAOYSA-N 0 0 338.419 2.121 40 0 EEABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015674756 462960255 /nfs/dbraw/zinc/96/02/55/462960255.db2.gz DMZSBPKUFXGHLB-CVEARBPZSA-N 0 0 344.415 2.459 40 0 biogenic,in-vitro EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCc1ccccc1Cl ZINC000077350230 462972054 /nfs/dbraw/zinc/97/20/54/462972054.db2.gz DTCZWLQNDDDYAW-RYUDHWBXSA-N 0 0 344.864 2.100 40 0 EEABRN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1Br ZINC000016662402 462987130 /nfs/dbraw/zinc/98/71/30/462987130.db2.gz RCLLHICYXSJKQX-RNJOBUHISA-N 0 0 334.169 2.200 40 0 EEABRN Cc1nc2c(c(N3CCN(C)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000019286222 463016129 /nfs/dbraw/zinc/01/61/29/463016129.db2.gz DBMYUNUBCZHOBO-UHFFFAOYSA-N 0 0 337.471 2.095 40 0 EEABRN CCn1nc2c(c1C(=O)N1CC[C@@H]3NC(=O)CCCC[C@H]31)CCCC2 ZINC000019713301 463020347 /nfs/dbraw/zinc/02/03/47/463020347.db2.gz JNRDDOLVZRZCCH-JKSUJKDBSA-N 0 0 344.459 2.055 40 0 EEABRN O=C(c1ccc2c(c1)ncn2C1CC1)N1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713241 463021041 /nfs/dbraw/zinc/02/10/41/463021041.db2.gz KNZISQKLZJRZFA-GDBMZVCRSA-N 0 0 338.411 2.254 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](c1cccc(Cl)c1)CC3=O ZINC000019819887 463022878 /nfs/dbraw/zinc/02/28/78/463022878.db2.gz MHMIXRTZCIUYTF-VIFPVBQESA-N 0 0 340.770 2.466 40 0 EEABRN COc1ccc(/C=C/C(=O)NCCCn2ccnc2)c(OC)c1OC ZINC000020242102 463025172 /nfs/dbraw/zinc/02/51/72/463025172.db2.gz JWIYOLHQTHIRHF-SOFGYWHQSA-N 0 0 345.399 2.129 40 0 EEABRN CCOC(=O)c1cc2n(n1)CCN(C(=O)OCc1ccccc1)C2 ZINC000095630211 463109138 /nfs/dbraw/zinc/10/91/38/463109138.db2.gz BFGVGSQLABWIKZ-UHFFFAOYSA-N 0 0 329.356 2.212 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000096039855 463144851 /nfs/dbraw/zinc/14/48/51/463144851.db2.gz KLRGCDYYNHTCNZ-HKUYNNGSSA-N 0 0 345.443 2.223 40 0 EEABRN c1ccc(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096042162 463146013 /nfs/dbraw/zinc/14/60/13/463146013.db2.gz RBOPMJGTBSBSQX-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000096042123 463146443 /nfs/dbraw/zinc/14/64/43/463146443.db2.gz MYBFHDCOCOVMLJ-OKZBNKHCSA-N 0 0 339.395 2.236 40 0 EEABRN CC(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCc2cccnc2)C1 ZINC000096045175 463148568 /nfs/dbraw/zinc/14/85/68/463148568.db2.gz HFRZDODCZQGTDF-QGZVFWFLSA-N 0 0 340.427 2.351 40 0 EEABRN Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2nccs2)C3)nn1 ZINC000096048451 463152349 /nfs/dbraw/zinc/15/23/49/463152349.db2.gz WRMQNZQVDWCEFL-WMLDXEAASA-N 0 0 345.472 2.477 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2ccco2)CC3)c1 ZINC000096051704 463155403 /nfs/dbraw/zinc/15/54/03/463155403.db2.gz GGQZDJQGCQLHKK-MRXNPFEDSA-N 0 0 341.411 2.433 40 0 EEABRN O=C(c1cccs1)N1CCc2ncnc(N3CCCC3)c2CC1 ZINC000096058728 463159488 /nfs/dbraw/zinc/15/94/88/463159488.db2.gz LMHWUJJQCWFGNS-UHFFFAOYSA-N 0 0 328.441 2.379 40 0 EEABRN Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cccnc1)C2 ZINC000096058496 463159986 /nfs/dbraw/zinc/15/99/86/463159986.db2.gz XHIONNVXOPMECA-ZBFHGGJFSA-N 0 0 326.400 2.033 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)cn1 ZINC000096067770 463164869 /nfs/dbraw/zinc/16/48/69/463164869.db2.gz YNHJMUNABFBJJF-UHFFFAOYSA-N 0 0 337.423 2.203 40 0 EEABRN CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cccn1C)CC2 ZINC000096068204 463165542 /nfs/dbraw/zinc/16/55/42/463165542.db2.gz ZTOZKKSEAYUYCQ-QGZVFWFLSA-N 0 0 342.443 2.408 40 0 EEABRN CC(C)n1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccco1)C2 ZINC000096084549 463170167 /nfs/dbraw/zinc/17/01/67/463170167.db2.gz JYBVFPRJZZCJBW-UHFFFAOYSA-N 0 0 325.372 2.458 40 0 EEABRN COc1cccc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)c1 ZINC000096085172 463170640 /nfs/dbraw/zinc/17/06/40/463170640.db2.gz AFGQPAZQZKXVPV-UHFFFAOYSA-N 0 0 341.411 2.474 40 0 EEABRN O=C(c1cscn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107359 463175061 /nfs/dbraw/zinc/17/50/61/463175061.db2.gz OCLUYFXVCAKFRK-DYVFJYSZSA-N 0 0 345.424 2.381 40 0 EEABRN CCCS(=O)(=O)N1CC[C@@H](OC)[C@@H](Cc2ccc(OC)cc2)C1 ZINC000096110273 463178502 /nfs/dbraw/zinc/17/85/02/463178502.db2.gz XTWWCXSQRMRVCE-DOTOQJQBSA-N 0 0 341.473 2.314 40 0 EEABRN Cc1cc(CN2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)no1 ZINC000096110462 463178637 /nfs/dbraw/zinc/17/86/37/463178637.db2.gz AFHWLENLMIRUKK-AEFFLSMTSA-N 0 0 344.415 2.141 40 0 EEABRN CCNC(=O)NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 ZINC000096112477 463180203 /nfs/dbraw/zinc/18/02/03/463180203.db2.gz YASMTIVEGAMWGY-JTQLQIEISA-N 0 0 342.321 2.446 40 0 biogenic,in-vitro EEABRN O=C(c1ccco1)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 ZINC000096186350 463196913 /nfs/dbraw/zinc/19/69/13/463196913.db2.gz MJYHDDOGROINPH-GJZGRUSLSA-N 0 0 325.368 2.080 40 0 EEABRN Cc1ccc(C(=O)N2Cc3cnn(C)c3[C@H](COCC3CC3)C2)o1 ZINC000096198301 463204126 /nfs/dbraw/zinc/20/41/26/463204126.db2.gz WSODRELBMSYFLV-HNNXBMFYSA-N 0 0 329.400 2.488 40 0 EEABRN COCC(=O)N1CCN(Cc2csc(C)n2)c2nc(C)ccc2C1 ZINC000096199099 463204610 /nfs/dbraw/zinc/20/46/10/463204610.db2.gz LFLFWCCUYOAJFV-UHFFFAOYSA-N 0 0 346.456 2.150 40 0 EEABRN Cc1cccc(N2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)n1 ZINC000096199847 463205481 /nfs/dbraw/zinc/20/54/81/463205481.db2.gz AJACCBXRDJARDI-INIZCTEOSA-N 0 0 339.443 2.108 40 0 EEABRN O=C1N(c2ccc3c(c2)OCO3)CC12CCN(c1ccccn1)CC2 ZINC000096202975 463208857 /nfs/dbraw/zinc/20/88/57/463208857.db2.gz BFGJMUJZXYBDEQ-UHFFFAOYSA-N 0 0 337.379 2.444 40 0 EEABRN CCN1CC2(CCN(C(=O)c3cccc(C)c3)CC2)[C@H](COC)C1=O ZINC000096209172 463211778 /nfs/dbraw/zinc/21/17/78/463211778.db2.gz PTSPWGRAFSPTRZ-QGZVFWFLSA-N 0 0 344.455 2.342 40 0 EEABRN COc1ccc(CN2CC[C@@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1 ZINC000096225446 463220429 /nfs/dbraw/zinc/22/04/29/463220429.db2.gz KDXMAZNWDYNMRZ-LJQANCHMSA-N 0 0 345.443 2.188 40 0 EEABRN CCC(=O)N1CCC[C@@]2(CC(C(=O)Nc3ccc(OC)cc3)=NO2)C1 ZINC000096225167 463220726 /nfs/dbraw/zinc/22/07/26/463220726.db2.gz IQUKGBDXEWIUGC-GOSISDBHSA-N 0 0 345.399 2.181 40 0 EEABRN c1csc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226508 463220856 /nfs/dbraw/zinc/22/08/56/463220856.db2.gz NTHBSYQMJPZTIB-QGZVFWFLSA-N 0 0 330.457 2.410 40 0 EEABRN CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096238207 463223038 /nfs/dbraw/zinc/22/30/38/463223038.db2.gz APPMODCOHYBCID-GOSISDBHSA-N 0 0 347.484 2.188 40 0 EEABRN CCOCc1nn(CC2CC2)c2c1CN(C(=O)c1ccno1)CC2 ZINC000096259823 463230190 /nfs/dbraw/zinc/23/01/90/463230190.db2.gz OOKWRSCFLZUKLW-UHFFFAOYSA-N 0 0 330.388 2.016 40 0 EEABRN Cc1ccsc1CCC(=O)N1CC(S(=O)(=O)CC(C)C)C1 ZINC000096380014 463236890 /nfs/dbraw/zinc/23/68/90/463236890.db2.gz BIICFIBVNVTMBV-UHFFFAOYSA-N 0 0 329.487 2.271 40 0 EEABRN O=C(CN1CCC[C@H](C(=O)NC2CCCCC2)C1)Nc1ccncc1 ZINC000096403662 463237912 /nfs/dbraw/zinc/23/79/12/463237912.db2.gz TWCIQCAMMVNCLV-HNNXBMFYSA-N 0 0 344.459 2.181 40 0 EEABRN CCc1ccc(CN2CCN(C(=O)CCc3cnn(C)c3)CC2)s1 ZINC000096414529 463246784 /nfs/dbraw/zinc/24/67/84/463246784.db2.gz TXLFAURMPCANLM-UHFFFAOYSA-N 0 0 346.500 2.321 40 0 EEABRN O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1c(F)cccc1Cl ZINC000096414068 463247346 /nfs/dbraw/zinc/24/73/46/463247346.db2.gz XRJJIKBWMCLEFO-ZETCQYMHSA-N 0 0 338.688 2.372 40 0 EEABRN CCn1c(CNC(=O)c2cc(C)ccc2-n2ccnc2)n[nH]c1=S ZINC000096418673 463250739 /nfs/dbraw/zinc/25/07/39/463250739.db2.gz ZJINBNRCVKZRAS-UHFFFAOYSA-N 0 0 342.428 2.385 40 0 EEABRN CCCc1ncc(C(=O)NCc2ccnc(N3CCOCC3)c2)s1 ZINC000096425013 463254754 /nfs/dbraw/zinc/25/47/54/463254754.db2.gz KFYYYENESBMDGE-UHFFFAOYSA-N 0 0 346.456 2.257 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(c1cc(CC)ncn1)CC2 ZINC000096429680 463259262 /nfs/dbraw/zinc/25/92/62/463259262.db2.gz MQDKUNONRJLYBF-UHFFFAOYSA-N 0 0 332.429 2.031 40 0 EEABRN COCCc1nnc(SCc2ncc(-c3ccccc3)o2)n1N ZINC000096430394 463260267 /nfs/dbraw/zinc/26/02/67/463260267.db2.gz KNCJEJUSNSSCIA-UHFFFAOYSA-N 0 0 331.401 2.128 40 0 EEABRN O=C(NC[C@@H](O)c1ccsc1)c1cc(N2CCCC2=O)ccc1F ZINC000096437271 463264810 /nfs/dbraw/zinc/26/48/10/463264810.db2.gz YBPNJKRWOTUYBE-OAHLLOKOSA-N 0 0 348.399 2.477 40 0 EEABRN Cc1ccc(Br)cc1C(=O)OC[C@H]1CCCN1C(N)=O ZINC000096442196 463268797 /nfs/dbraw/zinc/26/87/97/463268797.db2.gz JTCUAEZDUMVGBI-LLVKDONJSA-N 0 0 341.205 2.457 40 0 EEABRN Cn1cc(C[C@@H]2CCN(C(=O)Nc3cccc([S@@](C)=O)c3)C2)cn1 ZINC000096445986 463270584 /nfs/dbraw/zinc/27/05/84/463270584.db2.gz WGISYLXCZZAWFA-RZFZLAGVSA-N 0 0 346.456 2.254 40 0 EEABRN Cn1c(C(=O)N[C@H]2CC[S@](=O)C2)cc2cc(C(F)(F)F)ccc21 ZINC000096449910 463271810 /nfs/dbraw/zinc/27/18/10/463271810.db2.gz PTYYMBJWCOZVSU-BSNNYGBQSA-N 0 0 344.358 2.448 40 0 EEABRN CCOc1cccnc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000096451297 463273138 /nfs/dbraw/zinc/27/31/38/463273138.db2.gz BIBDXIXGRJAHEP-UHFFFAOYSA-N 0 0 349.328 2.139 40 0 EEABRN CN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)c1ccccn1 ZINC000096468482 463278007 /nfs/dbraw/zinc/27/80/07/463278007.db2.gz QXIIPAQKHHSKRD-UHFFFAOYSA-N 0 0 340.351 2.496 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000096484523 463282361 /nfs/dbraw/zinc/28/23/61/463282361.db2.gz ZDVJGKFIUWJEHZ-JSGCOSHPSA-N 0 0 327.384 2.380 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1CN(C)CCc1nccs1 ZINC000096483884 463282957 /nfs/dbraw/zinc/28/29/57/463282957.db2.gz UOOAWVRHFHJHFC-UHFFFAOYSA-N 0 0 328.445 2.410 40 0 EEABRN C[C@@H](NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 ZINC000096486328 463283609 /nfs/dbraw/zinc/28/36/09/463283609.db2.gz QZVYCVUHOBYGBC-CHWSQXEVSA-N 0 0 332.379 2.236 40 0 EEABRN CS(=O)(=O)c1ccc([C@@H](O)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000096484746 463283656 /nfs/dbraw/zinc/28/36/56/463283656.db2.gz OOWPFGLERRYMSI-NSHDSACASA-N 0 0 334.319 2.039 40 0 EEABRN Cc1ccc([C@@H](O)[C@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519748 463293587 /nfs/dbraw/zinc/29/35/87/463293587.db2.gz DQQCBBDOKAKARM-NXEZZACHSA-N 0 0 327.627 2.361 40 0 EEABRN COc1ccc([C@H](O)[C@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519804 463294404 /nfs/dbraw/zinc/29/44/04/463294404.db2.gz KHMHTNNZADKFIU-VHSXEESVSA-N 0 0 343.626 2.061 40 0 EEABRN C[C@@H]1CCCCN1C(=O)CN1CCN(CCc2ccccc2F)CC1 ZINC000137563952 463297263 /nfs/dbraw/zinc/29/72/63/463297263.db2.gz YUEVSNPWJIAXBH-QGZVFWFLSA-N 0 0 347.478 2.387 40 0 EEABRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(C)c2O)cc1 ZINC000097129666 463331239 /nfs/dbraw/zinc/33/12/39/463331239.db2.gz MUVGYCDGZRNMCB-LBPRGKRZSA-N 0 0 348.424 2.100 40 0 EEABRN Cn1ncnc1CN1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000097227410 463349579 /nfs/dbraw/zinc/34/95/79/463349579.db2.gz TVBADAUJZURGGF-UHFFFAOYSA-N 0 0 346.485 2.322 40 0 EEABRN Cc1ccccc1[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000069921554 463352016 /nfs/dbraw/zinc/35/20/16/463352016.db2.gz ODZDRLJPHRDWIG-HOCLYGCPSA-N 0 0 338.473 2.426 40 0 EEABRN O=C(NC1Cc2ccccc2C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000097377433 463356124 /nfs/dbraw/zinc/35/61/24/463356124.db2.gz CNPHSPSMNDANLI-QGZVFWFLSA-N 0 0 341.455 2.244 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N[C@H]3CCO[C@H](C4CC4)C3)nc12 ZINC000097378434 463358277 /nfs/dbraw/zinc/35/82/77/463358277.db2.gz SGTJVLHQNQQVNM-RDJZCZTQSA-N 0 0 342.443 2.442 40 0 EEABRN CCn1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cn1 ZINC000032604083 463382647 /nfs/dbraw/zinc/38/26/47/463382647.db2.gz HQZGPIRYYCNIKN-UHFFFAOYSA-N 0 0 342.428 2.429 40 0 EEABRN CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 ZINC000032639788 463385077 /nfs/dbraw/zinc/38/50/77/463385077.db2.gz CXVNGACCSAISMB-VXGBXAGGSA-N 0 0 330.862 2.435 40 0 EEABRN Cn1nccc1C(=O)N[C@@H]1CCCc2nc(-c3ccccn3)ncc21 ZINC000071195761 463411158 /nfs/dbraw/zinc/41/11/58/463411158.db2.gz ZOQAOBMKBJORJI-CQSZACIVSA-N 0 0 334.383 2.080 40 0 EEABRN O=C([C@H]1CCCO1)N1C(=S)NC(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000033586159 463422295 /nfs/dbraw/zinc/42/22/95/463422295.db2.gz MSKWHSNCMAQUQP-GCZGVDRJSA-N 0 0 346.364 2.019 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3nccn3C)C2)c1 ZINC000081570775 463463452 /nfs/dbraw/zinc/46/34/52/463463452.db2.gz RSVFPATWWPAUDS-CQSZACIVSA-N 0 0 330.432 2.148 40 0 EEABRN CN1c2ccccc2S[C@@](C)(C(=O)NCc2ccccn2)C1=O ZINC000040774908 463463966 /nfs/dbraw/zinc/46/39/66/463463966.db2.gz IFQCWWHLAAXLTF-KRWDZBQOSA-N 0 0 327.409 2.225 40 0 EEABRN CC1CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1 ZINC000041127347 463468212 /nfs/dbraw/zinc/46/82/12/463468212.db2.gz DIIVNCDCTOHQOO-UHFFFAOYSA-N 0 0 348.424 2.466 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cn1 ZINC000057355394 463480364 /nfs/dbraw/zinc/48/03/64/463480364.db2.gz XIBGJWQMFMHOFH-RDJZCZTQSA-N 0 0 326.400 2.451 40 0 EEABRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000081706977 463482179 /nfs/dbraw/zinc/48/21/79/463482179.db2.gz SOZPMNQTKDDPDY-QZTJIDSGSA-N 0 0 337.354 2.400 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)c2cccnc2-n2cccn2)c(C)o1 ZINC000081817570 463496948 /nfs/dbraw/zinc/49/69/48/463496948.db2.gz ZIXLQUXZYUFYJN-SFHVURJKSA-N 0 0 340.383 2.115 40 0 EEABRN CC[C@H](NC(=O)Cc1c(C)nn(C(F)F)c1C)c1nnc(C)[nH]1 ZINC000081847842 463500053 /nfs/dbraw/zinc/50/00/53/463500053.db2.gz XGUFFCUQOORTLN-NSHDSACASA-N 0 0 326.351 2.132 40 0 EEABRN CNS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccc(C)cc1 ZINC000083608878 463552392 /nfs/dbraw/zinc/55/23/92/463552392.db2.gz HRLTVWKKHMFDDF-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN Cc1csc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)n1 ZINC000108530401 463609616 /nfs/dbraw/zinc/60/96/16/463609616.db2.gz RHXYZMNKLOIOFQ-IRXDYDNUSA-N 0 0 344.484 2.322 40 0 EEABRN COCCN1CC2(CC1=O)CCN(C(=O)c1ccc(C)s1)CC2 ZINC000108529468 463610476 /nfs/dbraw/zinc/61/04/76/463610476.db2.gz PKELESQAIBNREB-UHFFFAOYSA-N 0 0 336.457 2.158 40 0 EEABRN C[C@H]1CCC[C@H](C)C12NC(=O)N(C[C@@H](O)COc1ccccc1)C2=O ZINC000109013496 463631381 /nfs/dbraw/zinc/63/13/81/463631381.db2.gz SUJKIRIBNZEYFA-SOUVJXGZSA-N 0 0 346.427 2.173 40 0 EEABRN C[C@H](NC(=O)/C=C/c1cccc(Br)c1)c1nncn1C ZINC000059006301 463638759 /nfs/dbraw/zinc/63/87/59/463638759.db2.gz PNJDFLLKAKUCMV-FGEFZZPRSA-N 0 0 335.205 2.468 40 0 EEABRN O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000059417463 463643596 /nfs/dbraw/zinc/64/35/96/463643596.db2.gz DJXVAEOZUKSLOF-AWEZNQCLSA-N 0 0 342.370 2.374 40 0 EEABRN COc1cccc(CC(=O)NCC2CCN(c3ncccn3)CC2)c1 ZINC000043977034 463664132 /nfs/dbraw/zinc/66/41/32/463664132.db2.gz BTNWMRJHDWGCIQ-UHFFFAOYSA-N 0 0 340.427 2.061 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000073964884 463675334 /nfs/dbraw/zinc/67/53/34/463675334.db2.gz SHUXHVFJOVIMEC-CQSZACIVSA-N 0 0 336.399 2.228 40 0 EEABRN Cc1sc2ncn(CCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c(=O)c2c1C ZINC000044895743 463699676 /nfs/dbraw/zinc/69/96/76/463699676.db2.gz KJQMBNKLESPKKC-PHIMTYICSA-N 0 0 349.456 2.101 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)CCc2cccs2)n1 ZINC000257289084 463762883 /nfs/dbraw/zinc/76/28/83/463762883.db2.gz PWXQVYWHEHHHEJ-AWEZNQCLSA-N 0 0 346.456 2.421 40 0 EEABRN Cn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)C3CCC3)C2)n1 ZINC000257290138 463763899 /nfs/dbraw/zinc/76/38/99/463763899.db2.gz QBSSLDOUHBBVKU-CYBMUJFWSA-N 0 0 325.416 2.068 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)n1 ZINC000257292254 463765111 /nfs/dbraw/zinc/76/51/11/463765111.db2.gz QKRMRXRIWWZFSB-CYBMUJFWSA-N 0 0 344.419 2.321 40 0 EEABRN COc1cccc(C[C@H]2COCCN(C(=O)C3CCOCC3)C2)c1 ZINC000257297371 463767699 /nfs/dbraw/zinc/76/76/99/463767699.db2.gz RGYSRABMDGYFIM-MRXNPFEDSA-N 0 0 333.428 2.139 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@H](c2cnccn2)C1 ZINC000257305232 463770506 /nfs/dbraw/zinc/77/05/06/463770506.db2.gz SOZZHQCXQWUWBY-ZDUSSCGKSA-N 0 0 325.368 2.268 40 0 EEABRN Cc1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000257310129 463772151 /nfs/dbraw/zinc/77/21/51/463772151.db2.gz UDUDHPQZGRMGEU-ZDUSSCGKSA-N 0 0 335.404 2.492 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257314446 463773351 /nfs/dbraw/zinc/77/33/51/463773351.db2.gz UWZVLINXIDDTLB-AWEZNQCLSA-N 0 0 338.415 2.247 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)on1 ZINC000257317926 463774430 /nfs/dbraw/zinc/77/44/30/463774430.db2.gz VLSWKGKFXVROFO-GJZGRUSLSA-N 0 0 334.347 2.167 40 0 EEABRN COc1cc(-c2cc(-c3cc(O)ccc3O)nn2CCO)ccc1O ZINC000257320671 463776366 /nfs/dbraw/zinc/77/63/66/463776366.db2.gz VXXJUGSGDCMYJH-UHFFFAOYSA-N 0 0 342.351 2.335 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)ccn1 ZINC000257338809 463784884 /nfs/dbraw/zinc/78/48/84/463784884.db2.gz YZAWUUSQOKBDRH-OAHLLOKOSA-N 0 0 339.399 2.158 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2noc(C)c2COC)nc(C)n1 ZINC000257342829 463787817 /nfs/dbraw/zinc/78/78/17/463787817.db2.gz ZQHZVOGDFMDZKN-AWEZNQCLSA-N 0 0 345.403 2.247 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260836858 463792138 /nfs/dbraw/zinc/79/21/38/463792138.db2.gz AMJZWYXABRPZQR-STQMWFEESA-N 0 0 342.461 2.155 40 0 EEABRN C[C@@H]1CN(C(=O)Cn2cccn2)c2cc(Br)ccc2O1 ZINC000195275684 464030098 /nfs/dbraw/zinc/03/00/98/464030098.db2.gz ZRIRGGAFQUMFGS-SNVBAGLBSA-N 0 0 336.189 2.460 40 0 EEABRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000195529826 464071688 /nfs/dbraw/zinc/07/16/88/464071688.db2.gz XGQDLNAOBYARGT-UKRRQHHQSA-N 0 0 333.432 2.060 40 0 EEABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000195547014 464074089 /nfs/dbraw/zinc/07/40/89/464074089.db2.gz VWYZBPLLIJWNHD-SMKXDYDZSA-N 0 0 333.407 2.414 40 0 EEABRN CC[C@H](NCc1cn2ccccc2n1)c1cccc(S(N)(=O)=O)c1 ZINC000195558342 464076033 /nfs/dbraw/zinc/07/60/33/464076033.db2.gz RNEWVFVHPICJQY-INIZCTEOSA-N 0 0 344.440 2.223 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(Cc3ccccn3)c2)[nH]n1 ZINC000195568711 464078443 /nfs/dbraw/zinc/07/84/43/464078443.db2.gz YTSQUJHJFZXOQX-GFCCVEGCSA-N 0 0 339.403 2.111 40 0 EEABRN C[C@H](C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570859 464079126 /nfs/dbraw/zinc/07/91/26/464079126.db2.gz LGLXJHLNSRGHSE-BXUZGUMPSA-N 0 0 349.374 2.500 40 0 EEABRN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000279332540 464088383 /nfs/dbraw/zinc/08/83/83/464088383.db2.gz AWOHRSNXVHWAGR-UGSOOPFHSA-N 0 0 348.830 2.439 40 0 EEABRN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)CO2 ZINC000179374982 464122453 /nfs/dbraw/zinc/12/24/53/464122453.db2.gz MOPYMNNIICKRJT-UCLAIMLFSA-N 0 0 339.391 2.021 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000222778876 464132735 /nfs/dbraw/zinc/13/27/35/464132735.db2.gz YWSBVHCVTOBKSG-HNNXBMFYSA-N 0 0 340.423 2.401 40 0 EEABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000223618568 464144826 /nfs/dbraw/zinc/14/48/26/464144826.db2.gz XKLCTISNFHXXET-UHFFFAOYSA-N 0 0 336.457 2.378 40 0 EEABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223675923 464145279 /nfs/dbraw/zinc/14/52/79/464145279.db2.gz HYWYSTWVXZIXPP-LSDHHAIUSA-N 0 0 331.397 2.210 40 0 EEABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC000223776123 464146593 /nfs/dbraw/zinc/14/65/93/464146593.db2.gz YJEAZVJJZKVDJL-ZENOOKHLSA-N 0 0 348.468 2.453 40 0 EEABRN CCN1CCN(C(=O)CCc2ncc(-c3cccc(OC)c3)o2)CC1 ZINC000224849955 464153264 /nfs/dbraw/zinc/15/32/64/464153264.db2.gz JNRAGQKXQGEVPX-UHFFFAOYSA-N 0 0 343.427 2.447 40 0 EEABRN CN(c1cccc(NC(=O)Cc2ccc(F)cc2)c1)S(C)(=O)=O ZINC000225230648 464153784 /nfs/dbraw/zinc/15/37/84/464153784.db2.gz RNPSGYVIQFIGIF-UHFFFAOYSA-N 0 0 336.388 2.403 40 0 EEABRN CN(c1cccc(NC(=O)Cc2ccccc2F)c1)S(C)(=O)=O ZINC000225445583 464160964 /nfs/dbraw/zinc/16/09/64/464160964.db2.gz HABRLFLEWBFIJE-UHFFFAOYSA-N 0 0 336.388 2.403 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)c(C)o1 ZINC000225503923 464167017 /nfs/dbraw/zinc/16/70/17/464167017.db2.gz LCBCJMMSTGGOTA-AWEZNQCLSA-N 0 0 344.415 2.436 40 0 EEABRN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1ccnc(N3CCCC3)c1)CC2 ZINC000225520078 464167512 /nfs/dbraw/zinc/16/75/12/464167512.db2.gz DPAUNUCMKFDNEC-OAHLLOKOSA-N 0 0 339.443 2.135 40 0 EEABRN CO[C@@](C)(C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1)C1CC1 ZINC000225643094 464177726 /nfs/dbraw/zinc/17/77/26/464177726.db2.gz PJVFKWWBSYICTA-LJQANCHMSA-N 0 0 346.427 2.441 40 0 EEABRN O=S(=O)(N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000225713072 464181693 /nfs/dbraw/zinc/18/16/93/464181693.db2.gz GQFZZNXKVQUQSF-LLVKDONJSA-N 0 0 332.219 2.355 40 0 EEABRN COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2ncc(C)s2)C1=O ZINC000179754647 464182613 /nfs/dbraw/zinc/18/26/13/464182613.db2.gz GYMNYUZOGSDIRO-KRWDZBQOSA-N 0 0 343.408 2.354 40 0 EEABRN O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H](OCCO)C1 ZINC000230476854 464204313 /nfs/dbraw/zinc/20/43/13/464204313.db2.gz MFGDVJJKEXDNAA-ARFHVFGLSA-N 0 0 338.835 2.379 40 0 EEABRN O=C(CSC[C@@H]1CCCCO1)NCc1ccc2c(c1)OCCO2 ZINC000263887873 464229297 /nfs/dbraw/zinc/22/92/97/464229297.db2.gz MGJVDEZZHPPEID-AWEZNQCLSA-N 0 0 337.441 2.376 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000238848439 464438650 /nfs/dbraw/zinc/43/86/50/464438650.db2.gz IWQUUXBDEYFYOP-CABCVRRESA-N 0 0 342.399 2.415 40 0 EEABRN CCC[C@@]12CCCN1C(=O)N(C1CCN(c3cccnn3)CC1)C2=O ZINC000241465999 464452874 /nfs/dbraw/zinc/45/28/74/464452874.db2.gz NTSYWLUSKVXTRM-SFHVURJKSA-N 0 0 343.431 2.042 40 0 EEABRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(COC)C(N)=S)cc1 ZINC000242701744 464458432 /nfs/dbraw/zinc/45/84/32/464458432.db2.gz WNTVJHOZEWWMCW-IJEWVQPXSA-N 0 0 341.498 2.068 40 0 EEABRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(COC)C(N)=S)cc1 ZINC000242701743 464458581 /nfs/dbraw/zinc/45/85/81/464458581.db2.gz WNTVJHOZEWWMCW-IIAWOOMASA-N 0 0 341.498 2.068 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCCc2ccc(C)nc2)n1 ZINC000190182778 464607188 /nfs/dbraw/zinc/60/71/88/464607188.db2.gz LADKOIGFSOLGMS-HNNXBMFYSA-N 0 0 346.456 2.481 40 0 EEABRN O=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn21)c1cscn1 ZINC000247518902 464689218 /nfs/dbraw/zinc/68/92/18/464689218.db2.gz WRDBZDKDPDQLPS-ZDUSSCGKSA-N 0 0 331.445 2.069 40 0 EEABRN O=C(c1ccsc1)N1Cc2cncn2[C@H](COc2ncccn2)C1 ZINC000247871879 464710682 /nfs/dbraw/zinc/71/06/82/464710682.db2.gz RCYYPODGDXLHHT-AWEZNQCLSA-N 0 0 341.396 2.011 40 0 EEABRN CO[C@@H]1CSC2(CN(C(=O)COc3cccc(Cl)c3)C2)C1 ZINC000247886033 464712383 /nfs/dbraw/zinc/71/23/83/464712383.db2.gz RPYHBUODQZAIIJ-ZDUSSCGKSA-N 0 0 327.833 2.452 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247942018 464716092 /nfs/dbraw/zinc/71/60/92/464716092.db2.gz QARXVEIJFBYWOW-ZDUSSCGKSA-N 0 0 327.409 2.256 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@@H]3CCOc2cccnc2)cn1 ZINC000249681114 464903313 /nfs/dbraw/zinc/90/33/13/464903313.db2.gz BHRFFUDPCLXLOS-KRWDZBQOSA-N 0 0 342.443 2.358 40 0 EEABRN COCCSCc1cccc(NC(=O)[C@H]2CCc3n[nH]nc3C2)c1 ZINC000252480057 464960057 /nfs/dbraw/zinc/96/00/57/464960057.db2.gz BTHFSDQTLFXPOT-ZDUSSCGKSA-N 0 0 346.456 2.428 40 0 EEABRN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc(C2OCCO2)s1 ZINC000252484748 464962006 /nfs/dbraw/zinc/96/20/06/464962006.db2.gz GGKHLYUCNVEFGO-PWSUYJOCSA-N 0 0 340.445 2.370 40 0 EEABRN C[C@H](c1cccnc1)N(C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000252497048 464969529 /nfs/dbraw/zinc/96/95/29/464969529.db2.gz PXYGLLDBIFEONS-RHSMWYFYSA-N 0 0 348.472 2.005 40 0 EEABRN CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000252500303 464970900 /nfs/dbraw/zinc/97/09/00/464970900.db2.gz SRUGBZYUHSMWSG-JKSUJKDBSA-N 0 0 346.475 2.197 40 0 EEABRN CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000252502845 464972733 /nfs/dbraw/zinc/97/27/33/464972733.db2.gz UVJDILQKYIWSLK-INIZCTEOSA-N 0 0 347.459 2.387 40 0 EEABRN COC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000252516967 464978401 /nfs/dbraw/zinc/97/84/01/464978401.db2.gz YMEGOAVOQZMSHP-KURKYZTESA-N 0 0 331.437 2.279 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 ZINC000253394757 464998683 /nfs/dbraw/zinc/99/86/83/464998683.db2.gz BJRFLZCALDGWRQ-ONERCXAPSA-N 0 0 327.783 2.474 40 0 EEABRN COC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000253421632 465008654 /nfs/dbraw/zinc/00/86/54/465008654.db2.gz ZCRQRXHFYNSENQ-SNVBAGLBSA-N 0 0 348.380 2.115 40 0 EEABRN CCOc1cc(C)ccc1CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000253429451 465012368 /nfs/dbraw/zinc/01/23/68/465012368.db2.gz SDVFOUDHWFCMSX-KXBFYZLASA-N 0 0 348.443 2.483 40 0 EEABRN CCOc1ccccc1CCNC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000253431937 465014392 /nfs/dbraw/zinc/01/43/92/465014392.db2.gz VMXQGSAYIOKFJD-OAHLLOKOSA-N 0 0 328.416 2.208 40 0 EEABRN C[N@H+](CC(=O)[O-])C1CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000548682083 468452001 /nfs/dbraw/zinc/45/20/01/468452001.db2.gz LUZNCNHKZNFVDK-UHFFFAOYSA-N 0 0 346.452 2.451 40 0 EEABRN CC[C@H](C)n1nc(C(=O)NC2CCN(c3nccn3C)CC2)cc1C ZINC000331694130 466200188 /nfs/dbraw/zinc/20/01/88/466200188.db2.gz YCOIBKYBMTWUAG-ZDUSSCGKSA-N 0 0 344.463 2.295 40 0 EEABRN O=C(NC1CC1)c1nc2c(s1)C[C@H](NC(=O)C1CCCC1)CC2 ZINC000306127581 466488778 /nfs/dbraw/zinc/48/87/78/466488778.db2.gz GCUDSAXWUGPJPQ-GFCCVEGCSA-N 0 0 333.457 2.199 40 0 EEABRN CC(C)CN1CC[C@@]2(CN(C(=O)C3CC3)C[C@H]2c2nccs2)C1=O ZINC000306127894 466488886 /nfs/dbraw/zinc/48/88/86/466488886.db2.gz GKBFGWNIUPFZJS-KSSFIOAISA-N 0 0 347.484 2.354 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)N[C@H](C)c1cccs1 ZINC000332799423 466568686 /nfs/dbraw/zinc/56/86/86/466568686.db2.gz ZSZAGIYMMVNUOV-BXUZGUMPSA-N 0 0 348.472 2.339 40 0 EEABRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CN1CCc2ccccc2C1=O ZINC000332918788 466587737 /nfs/dbraw/zinc/58/77/37/466587737.db2.gz JXWWHWWXHLRUPF-DLBZAZTESA-N 0 0 344.455 2.395 40 0 EEABRN O=C(Cn1ccc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390828688 467412716 /nfs/dbraw/zinc/41/27/16/467412716.db2.gz SWOQWIRRFANVMS-OAHLLOKOSA-N 0 0 340.358 2.250 40 0 EEABRN Cn1ccc([C@H]2CCCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)n1 ZINC000390830641 467413554 /nfs/dbraw/zinc/41/35/54/467413554.db2.gz MIULVOMEKHREIL-LBPRGKRZSA-N 0 0 325.372 2.423 40 0 EEABRN COc1cccc(CN2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)c1 ZINC000514290017 467941946 /nfs/dbraw/zinc/94/19/46/467941946.db2.gz RCTSALDWPACQFI-MJGOQNOKSA-N 0 0 338.407 2.413 40 0 biogenic,in-vitro EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 ZINC000575404403 468141684 /nfs/dbraw/zinc/14/16/84/468141684.db2.gz LYCZPULROVWYKR-ZTFGCOKTSA-N 0 0 325.412 2.467 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCCn1nc(C2CC2)ccc1=O ZINC000575606931 468146302 /nfs/dbraw/zinc/14/63/02/468146302.db2.gz HNHJSNVYTBAINE-UHFFFAOYSA-N 0 0 347.802 2.213 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2ccnc(N3CCCC3=O)c2)s1 ZINC000575608793 468147748 /nfs/dbraw/zinc/14/77/48/468147748.db2.gz PEEAUGLIKKVIAG-UHFFFAOYSA-N 0 0 330.413 2.212 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc2n(n1)CCCC2 ZINC000585090084 468961445 /nfs/dbraw/zinc/96/14/45/468961445.db2.gz QNQZYGMZMFLGDK-KRWDZBQOSA-N 0 0 329.448 2.143 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@@]2(CCN(C)C2=O)CC(F)(F)C1 ZINC000585093158 468963581 /nfs/dbraw/zinc/96/35/81/468963581.db2.gz FXNJBPKSBKEELP-QGZVFWFLSA-N 0 0 336.382 2.254 40 0 EEABRN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]12CCCN(c1cnccn1)CC2 ZINC000585100704 468968656 /nfs/dbraw/zinc/96/86/56/468968656.db2.gz UGLNWAMGJLHHRN-BXWFABGCSA-N 0 0 344.459 2.253 40 0 EEABRN CC1CC(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)C1 ZINC000585108520 468971857 /nfs/dbraw/zinc/97/18/57/468971857.db2.gz AGHRAHHDPICDRM-PLWCOUGHSA-N 0 0 330.428 2.403 40 0 EEABRN COc1ncccc1CN1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000585104609 468972093 /nfs/dbraw/zinc/97/20/93/468972093.db2.gz JGHNQPVLQZHTNE-MRXNPFEDSA-N 0 0 341.411 2.298 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(C)ccc1C)C2 ZINC000585104035 468972316 /nfs/dbraw/zinc/97/23/16/468972316.db2.gz VKHVHYRVLGYQQY-KRWDZBQOSA-N 0 0 337.485 2.329 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)s1 ZINC000585110849 468973371 /nfs/dbraw/zinc/97/33/71/468973371.db2.gz PTWCXWANEHACLV-CQSZACIVSA-N 0 0 332.473 2.414 40 0 EEABRN O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1cccs1)CC2 ZINC000585111022 468974567 /nfs/dbraw/zinc/97/45/67/468974567.db2.gz RZMTUEZJLNJSNO-UHFFFAOYSA-N 0 0 343.452 2.388 40 0 EEABRN Cc1cc(C)cc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)c1 ZINC000585110903 468975094 /nfs/dbraw/zinc/97/50/94/468975094.db2.gz XQFLBIBVFQLVBU-QGZVFWFLSA-N 0 0 338.455 2.369 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2)C3)C1 ZINC000585113061 468975691 /nfs/dbraw/zinc/97/56/91/468975691.db2.gz YEDAMHUZYPJVLI-OAHLLOKOSA-N 0 0 341.411 2.094 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(Cc3ccncc3)C2)c1 ZINC000585269153 468997036 /nfs/dbraw/zinc/99/70/36/468997036.db2.gz KPQFKKGXLXLMBC-LJQANCHMSA-N 0 0 328.412 2.032 40 0 EEABRN COc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 ZINC000585277780 469003878 /nfs/dbraw/zinc/00/38/78/469003878.db2.gz PBVSGXZZDNTTAX-IRXDYDNUSA-N 0 0 331.391 2.192 40 0 EEABRN COC[C@]1(CC(N)=O)CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000585277567 469003901 /nfs/dbraw/zinc/00/39/01/469003901.db2.gz ITKFAJYEEZZUJH-OAHLLOKOSA-N 0 0 344.333 2.202 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585278906 469004532 /nfs/dbraw/zinc/00/45/32/469004532.db2.gz INWJRJXXRDOSMB-SJLPKXTDSA-N 0 0 327.428 2.448 40 0 EEABRN Cc1nc2c(cccc2NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000640249368 470835969 /nfs/dbraw/zinc/83/59/69/470835969.db2.gz UNLZLPPOBOQRDK-AWEZNQCLSA-N 0 0 344.415 2.465 40 0 EEABRN COc1ncccc1C(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1 ZINC000390827249 485668160 /nfs/dbraw/zinc/66/81/60/485668160.db2.gz VLSOQOJXTVIZGJ-UHFFFAOYSA-N 0 0 342.399 2.181 40 0 EEABRN CC(=O)N[C@H](c1nccs1)C1CCN(c2cc(C)ncn2)CC1 ZINC000257253732 534650618 /nfs/dbraw/zinc/65/06/18/534650618.db2.gz KABCGOSUUOBBLA-HNNXBMFYSA-N 0 0 331.445 2.335 40 0 EEABRN CC(C)(C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949860 534702834 /nfs/dbraw/zinc/70/28/34/534702834.db2.gz JWQJCJFPZFZUJF-GFCCVEGCSA-N 0 0 332.853 2.235 40 0 EEABRN C[C@@H](C(=O)NC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000194359487 524153981 /nfs/dbraw/zinc/15/39/81/524153981.db2.gz YQCIETLZLRORHB-LBPRGKRZSA-N 0 0 332.381 2.197 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000153426944 534788841 /nfs/dbraw/zinc/78/88/41/534788841.db2.gz FJRNYRCTIBMRKY-ROUUACIJSA-N 0 0 339.439 2.168 40 0 EEABRN COc1ncccc1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000096406810 525055166 /nfs/dbraw/zinc/05/51/66/525055166.db2.gz ZMZBJHYNONXORW-UHFFFAOYSA-N 0 0 337.383 2.275 40 0 EEABRN O=C(NCCOc1ccc(F)cc1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000245108431 526357772 /nfs/dbraw/zinc/35/77/72/526357772.db2.gz SWZRXPWGBXNVMA-INIZCTEOSA-N 0 0 346.358 2.197 40 0 EEABRN CC(C)(C)c1nsc(N2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000157835506 526905596 /nfs/dbraw/zinc/90/55/96/526905596.db2.gz QAJYRBBRWGAHEP-UHFFFAOYSA-N 0 0 331.445 2.193 40 0 EEABRN CC(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)nc1 ZINC000131393482 527310724 /nfs/dbraw/zinc/31/07/24/527310724.db2.gz RLZSSAGAAQKASV-KRWDZBQOSA-N 0 0 339.395 2.124 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1 ZINC000408709213 527726710 /nfs/dbraw/zinc/72/67/10/527726710.db2.gz PTKIENQWAOLIIF-UHFFFAOYSA-N 0 0 339.395 2.080 40 0 EEABRN CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181936213 528750934 /nfs/dbraw/zinc/75/09/34/528750934.db2.gz DHUQKLOMHHMYSE-SNVBAGLBSA-N 0 0 338.351 2.290 40 0 EEABRN CC(C)NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113956073 529119436 /nfs/dbraw/zinc/11/94/36/529119436.db2.gz IPWTVHMFMMDAIG-UHFFFAOYSA-N 0 0 332.853 2.411 40 0 EEABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000408609486 529364005 /nfs/dbraw/zinc/36/40/05/529364005.db2.gz TVBXJFWWFUJHGS-CYBMUJFWSA-N 0 0 342.461 2.011 40 0 EEABRN CCCCc1nc(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c[nH]1 ZINC000257222427 535103098 /nfs/dbraw/zinc/10/30/98/535103098.db2.gz DTGFEZDAQDXMOP-MRXNPFEDSA-N 0 0 345.447 2.082 40 0 EEABRN CN(C)Cc1c[nH]c([C@@H]2CN(C(=O)c3ccccc3Cl)CCO2)n1 ZINC000257213721 536058810 /nfs/dbraw/zinc/05/88/10/536058810.db2.gz CIUTUXHZVSYUHS-HNNXBMFYSA-N 0 0 348.834 2.338 40 0 EEABRN CN1C(=O)CC[C@@H]2N(C(=O)CCc3cccnc3)CCCC[C@@]21C ZINC000257313517 536308718 /nfs/dbraw/zinc/30/87/18/536308718.db2.gz USXHPGXWTSPJNX-LPHOPBHVSA-N 0 0 329.444 2.406 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3ncoc3C)CC2)cn1 ZINC000257324351 536421798 /nfs/dbraw/zinc/42/17/98/536421798.db2.gz WOHPDZRUCMRPGO-ZDUSSCGKSA-N 0 0 329.404 2.300 40 0 EEABRN COc1cc(C)c(S(=O)(=O)NCc2cnn(C)c2)cc1C(C)C ZINC000193796373 536612236 /nfs/dbraw/zinc/61/22/36/536612236.db2.gz BNOFEBJFXZLRKO-UHFFFAOYSA-N 0 0 337.445 2.339 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000181351234 537705282 /nfs/dbraw/zinc/70/52/82/537705282.db2.gz LKYKWHNAFHHYNR-KKBFJZEXSA-N 0 0 330.428 2.232 40 0 EEABRN Cc1ccccc1[C@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000935684189 1208199549 /nfs/dbraw/zinc/19/95/49/1208199549.db2.gz HVCPWAVQYUBRKQ-AWEZNQCLSA-N 0 0 346.452 2.371 40 0 EEABRN CCOc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2C)cc1 ZINC000027579362 1352373069 /nfs/dbraw/zinc/37/30/69/1352373069.db2.gz QKBHNSYMKHXPIC-UHFFFAOYSA-N 0 0 348.472 2.230 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)n1 ZINC000028241576 1352374056 /nfs/dbraw/zinc/37/40/56/1352374056.db2.gz WAIOACOGRXMSSU-UHFFFAOYSA-N 0 0 330.407 2.390 40 0 EEABRN O=c1n(CCc2ccccc2)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC001547201175 1113914342 /nfs/dbraw/zinc/91/43/42/1113914342.db2.gz NPUGOFBKDFXJHV-UHFFFAOYSA-N 0 0 338.342 2.415 40 0 EEABRN O=C(CN[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCNC1=O ZINC000055855399 214345175 /nfs/dbraw/zinc/34/51/75/214345175.db2.gz HZUGURPXSXPFRE-KRWDZBQOSA-N 0 0 327.359 2.057 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccccc2)c(OC)c1OC ZINC000056105259 214358735 /nfs/dbraw/zinc/35/87/35/214358735.db2.gz BEMLMHMQHAVBLL-UHFFFAOYSA-N 0 0 337.397 2.191 40 0 EEABRN O=C(NCCc1ccc(O)cc1)Nc1cccc(N2CCNC2=O)c1 ZINC000056500936 214377161 /nfs/dbraw/zinc/37/71/61/214377161.db2.gz ATYKLNSQSGRLAF-UHFFFAOYSA-N 0 0 340.383 2.286 40 0 EEABRN CCNC(=O)[C@@H](C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000056486044 214377285 /nfs/dbraw/zinc/37/72/85/214377285.db2.gz VHLWBLDZKHKZHH-LLVKDONJSA-N 0 0 325.840 2.441 40 0 EEABRN CC[C@@H](NC(=O)Cc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473764 529603034 /nfs/dbraw/zinc/60/30/34/529603034.db2.gz HFIDIVYWVYHBCN-MSOLQXFVSA-N 0 0 343.427 2.013 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)CC1 ZINC000100162426 219093272 /nfs/dbraw/zinc/09/32/72/219093272.db2.gz NVAWWXHPOJTWSM-BZPMIXESSA-N 0 0 329.404 2.249 40 0 EEABRN CC(=O)N(Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000004409159 210188981 /nfs/dbraw/zinc/18/89/81/210188981.db2.gz CNKFWRHIVGSYBT-GOSISDBHSA-N 0 0 336.391 2.363 40 0 EEABRN CCc1noc([C@@H](C)N2CCN(c3ccc(C(C)=O)cn3)CC2)n1 ZINC000181051538 234071806 /nfs/dbraw/zinc/07/18/06/234071806.db2.gz SGEHYWDINDQPQC-GFCCVEGCSA-N 0 0 329.404 2.113 40 0 EEABRN Cc1sc(=O)n(CC(=O)Nc2ccnn2-c2cccc(F)c2)c1C ZINC000183896119 235255470 /nfs/dbraw/zinc/25/54/70/235255470.db2.gz OLPNLAYLKBTISA-UHFFFAOYSA-N 0 0 346.387 2.490 40 0 EEABRN NC(=O)NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC000078875547 283304997 /nfs/dbraw/zinc/30/49/97/283304997.db2.gz RELQERDOSWSPFG-UHFFFAOYSA-N 0 0 344.318 2.178 40 0 EEABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 ZINC000035426298 213026940 /nfs/dbraw/zinc/02/69/40/213026940.db2.gz QDFBPMWJNBSIKM-ZDUSSCGKSA-N 0 0 339.403 2.258 40 0 biogenic,in-vitro EEABRN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCc2cc(Cl)ccc2C1 ZINC000189851323 237316613 /nfs/dbraw/zinc/31/66/13/237316613.db2.gz PYCBLKKWXXGBTK-GFCCVEGCSA-N 0 0 347.846 2.419 40 0 EEABRN Cc1cc(C(=O)NCc2cccnc2)nc(N2CCCCCC2)n1 ZINC000072241499 216080369 /nfs/dbraw/zinc/08/03/69/216080369.db2.gz BBTBZZZVOZAFOH-UHFFFAOYSA-N 0 0 325.416 2.490 40 0 EEABRN CC(=O)N1CCC[C@@H](C(=O)Nc2cnn(CCc3ccccc3)c2)C1 ZINC000072247223 216082097 /nfs/dbraw/zinc/08/20/97/216082097.db2.gz QSJYSIWUZRYIJE-QGZVFWFLSA-N 0 0 340.427 2.323 40 0 EEABRN Cc1ccccc1CNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237899 216076109 /nfs/dbraw/zinc/07/61/09/216076109.db2.gz SDNGXJZXGUZKGB-OALUTQOASA-N 0 0 338.407 2.210 40 0 EEABRN O=C(c1ccncc1)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000072326866 216152000 /nfs/dbraw/zinc/15/20/00/216152000.db2.gz JBLXGVAOOCXTKM-IIMJZQEZSA-N 0 0 348.406 2.115 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360227 216165438 /nfs/dbraw/zinc/16/54/38/216165438.db2.gz HFZSWBQHSBWAFF-ZDUSSCGKSA-N 0 0 333.417 2.020 40 0 EEABRN Cc1cc(-c2ccc(Cl)cc2)nc(C2CN(S(C)(=O)=O)C2)n1 ZINC000072360770 216167818 /nfs/dbraw/zinc/16/78/18/216167818.db2.gz DSOSIMGJLXYCDO-UHFFFAOYSA-N 0 0 337.832 2.464 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072361971 216168406 /nfs/dbraw/zinc/16/84/06/216168406.db2.gz VIMJVQAQJMSJQI-ZDUSSCGKSA-N 0 0 333.413 2.408 40 0 EEABRN COCC(=O)N1CC[C@@H]1c1cc(NCc2ccccc2)nc(C)n1 ZINC000072387450 216186926 /nfs/dbraw/zinc/18/69/26/216186926.db2.gz PWRGSCAEADSQQV-MRXNPFEDSA-N 0 0 326.400 2.317 40 0 EEABRN Cc1ncsc1CN1CCO[C@@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387836 216188354 /nfs/dbraw/zinc/18/83/54/216188354.db2.gz DCRRXFKXDATSQP-CQSZACIVSA-N 0 0 333.461 2.189 40 0 EEABRN CN(Cc1ncnn1C)C(=O)Nc1cc(F)cc(Br)c1 ZINC000072565102 216276424 /nfs/dbraw/zinc/27/64/24/216276424.db2.gz ZIFTZXIJNDLFBZ-UHFFFAOYSA-N 0 0 342.172 2.381 40 0 EEABRN Cc1cccc2nc(CN3CCNC(=O)[C@H]3c3cccs3)cn21 ZINC000072800228 216307667 /nfs/dbraw/zinc/30/76/67/216307667.db2.gz CAYSKXATUDYCQD-MRXNPFEDSA-N 0 0 326.425 2.377 40 0 EEABRN O=C(CCn1cncn1)NCc1cc(Cl)ccc1OC(F)F ZINC000073363831 216381411 /nfs/dbraw/zinc/38/14/11/216381411.db2.gz WYYIEENGNCIMBJ-UHFFFAOYSA-N 0 0 330.722 2.239 40 0 EEABRN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nn1C ZINC000074032657 216448286 /nfs/dbraw/zinc/44/82/86/216448286.db2.gz AFJIWCQXKLNEDA-UHFFFAOYSA-N 0 0 341.415 2.027 40 0 EEABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 ZINC000022227036 212282666 /nfs/dbraw/zinc/28/26/66/212282666.db2.gz MSKSPGMXUSONHC-UHFFFAOYSA-N 0 0 348.424 2.037 40 0 EEABRN Cc1c(Cl)cccc1C(=O)NCCC(=O)NCc1cccnc1 ZINC000194451451 240585729 /nfs/dbraw/zinc/58/57/29/240585729.db2.gz YALNDBSKTGRBLN-UHFFFAOYSA-N 0 0 331.803 2.480 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@@H](OCCO)C1 ZINC000195571553 241017034 /nfs/dbraw/zinc/01/70/34/241017034.db2.gz MFGDVJJKEXDNAA-OWCLPIDISA-N 0 0 338.835 2.379 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2cccnc2)C1 ZINC000208209710 241067123 /nfs/dbraw/zinc/06/71/23/241067123.db2.gz ZDMLSSJRDUBJQS-QWHCGFSZSA-N 0 0 326.425 2.059 40 0 EEABRN Cc1cccc(OCC(=O)Nc2nc3c(s2)C(=O)NCCC3)c1 ZINC000211128955 241079454 /nfs/dbraw/zinc/07/94/54/241079454.db2.gz MJYGDDSVHGLQLV-UHFFFAOYSA-N 0 0 331.397 2.145 40 0 EEABRN O=C(NCCSc1nc[nH]n1)c1cc(-c2ccc(F)cc2)on1 ZINC000225900314 242073790 /nfs/dbraw/zinc/07/37/90/242073790.db2.gz RLNLFFAHDDDROU-UHFFFAOYSA-N 0 0 333.348 2.121 40 0 EEABRN CC(C)OC(=O)[C@]1(C)CC(c2cnc(N3CCCCC3)nc2)=NO1 ZINC000226084647 242090065 /nfs/dbraw/zinc/09/00/65/242090065.db2.gz XSBMIYRPXHHJFE-KRWDZBQOSA-N 0 0 332.404 2.302 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNC(=O)NC[C@H](C)Cn2cccn2)c1 ZINC000252497242 243815738 /nfs/dbraw/zinc/81/57/38/243815738.db2.gz QCDZLWMZDKKIDQ-DOTOQJQBSA-N 0 0 330.432 2.169 40 0 EEABRN COCC1(CNC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CCC1 ZINC000252491826 243799797 /nfs/dbraw/zinc/79/97/97/243799797.db2.gz LVOYLWALGKGJSR-AWEZNQCLSA-N 0 0 343.431 2.444 40 0 EEABRN O=C1[C@@H](Sc2nccc(C(F)(F)F)n2)CCN1C1CCOCC1 ZINC000253428507 243974522 /nfs/dbraw/zinc/97/45/22/243974522.db2.gz IZAKIFXXIDFIJW-JTQLQIEISA-N 0 0 347.362 2.367 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2cccnc2)on1 ZINC000253599995 244031728 /nfs/dbraw/zinc/03/17/28/244031728.db2.gz BOPAOAZSVATJNX-CQSZACIVSA-N 0 0 343.383 2.078 40 0 EEABRN Cc1cncc(OCC[C@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000253600988 244035464 /nfs/dbraw/zinc/03/54/64/244035464.db2.gz GFUSFIWTUCZUGX-HNNXBMFYSA-N 0 0 341.415 2.030 40 0 EEABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCO[C@H](c2cnccn2)C1 ZINC000257217906 244172749 /nfs/dbraw/zinc/17/27/49/244172749.db2.gz DBBHTTHONFDNDX-HNNXBMFYSA-N 0 0 326.331 2.311 40 0 EEABRN CCn1ccc2ccnc(CC3CN(C(=O)Cn4ccnc4C)C3)c21 ZINC000257228144 244208285 /nfs/dbraw/zinc/20/82/85/244208285.db2.gz FSNNPZHJUFOPIY-UHFFFAOYSA-N 0 0 337.427 2.262 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCC3)cc(=O)[nH]1 ZINC000257233204 244219704 /nfs/dbraw/zinc/21/97/04/244219704.db2.gz GOGBKTYHCJONFV-KRWDZBQOSA-N 0 0 339.395 2.193 40 0 EEABRN Cc1cc(C)n(CC(=O)N2Cc3nccn3C[C@H]2c2ccccc2)n1 ZINC000257246132 244258920 /nfs/dbraw/zinc/25/89/20/244258920.db2.gz ISPOZYWMVRZVRX-KRWDZBQOSA-N 0 0 335.411 2.480 40 0 EEABRN COC(=O)c1sc(Cl)cc1S(=O)(=O)NCc1ccco1 ZINC000020134861 212104936 /nfs/dbraw/zinc/10/49/36/212104936.db2.gz HNCXZADSRGGJCZ-UHFFFAOYSA-N 0 0 335.790 2.260 40 0 EEABRN COc1cccc(F)c1CN1CCO[C@@H](CCc2ccncn2)C1 ZINC000257253352 244276385 /nfs/dbraw/zinc/27/63/85/244276385.db2.gz JYNPKVBBIBLIBR-HNNXBMFYSA-N 0 0 331.391 2.458 40 0 EEABRN CNC(=O)CN1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254167 244276947 /nfs/dbraw/zinc/27/69/47/244276947.db2.gz KBYYITNNBULYKU-CQSZACIVSA-N 0 0 326.400 2.194 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)n1 ZINC000257256164 244281498 /nfs/dbraw/zinc/28/14/98/244281498.db2.gz KKIRWJSFEPOIHX-GFCCVEGCSA-N 0 0 337.811 2.192 40 0 EEABRN COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O ZINC000257279673 244404734 /nfs/dbraw/zinc/40/47/34/244404734.db2.gz OHRQLRYKXBPTIH-FVQBIDKESA-N 0 0 325.380 2.225 40 0 EEABRN CC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(N)ncnc3n2)C1 ZINC000019743024 212060063 /nfs/dbraw/zinc/06/00/63/212060063.db2.gz AXSDDLQFOIKRLZ-VIFPVBQESA-N 0 0 339.321 2.352 40 0 EEABRN CNc1cc(CNC(=O)c2scnc2C)nc(-c2cccnc2)n1 ZINC000019562336 212042727 /nfs/dbraw/zinc/04/27/27/212042727.db2.gz CPWBUZGVTKTBKU-UHFFFAOYSA-N 0 0 340.412 2.275 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019462930 212030992 /nfs/dbraw/zinc/03/09/92/212030992.db2.gz HKTYCYAWUODPRJ-ZYHUDNBSSA-N 0 0 344.440 2.255 40 0 EEABRN O=C(COc1ccccc1)N1CCCC[C@@H]1c1ccnc2ncnn21 ZINC000019373448 212024285 /nfs/dbraw/zinc/02/42/85/212024285.db2.gz OMEXFKXEEPZHRY-OAHLLOKOSA-N 0 0 337.383 2.257 40 0 EEABRN O=C(C[C@H]1CCCCO1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341417 212017749 /nfs/dbraw/zinc/01/77/49/212017749.db2.gz BQRWSINORPYVBJ-LSDHHAIUSA-N 0 0 342.399 2.407 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)NC2CCCCC2)c1=O ZINC000019344123 212017807 /nfs/dbraw/zinc/01/78/07/212017807.db2.gz KWVDKVKENRIOGK-UHFFFAOYSA-N 0 0 332.429 2.003 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccccn2)C1 ZINC000078057810 217016159 /nfs/dbraw/zinc/01/61/59/217016159.db2.gz YMKHLIHFOOZORK-HNNXBMFYSA-N 0 0 332.448 2.166 40 0 EEABRN Cn1ccc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000019291110 212011507 /nfs/dbraw/zinc/01/15/07/212011507.db2.gz LNMJDVNBNUOCNC-UHFFFAOYSA-N 0 0 332.379 2.041 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccccc2)cc1 ZINC000019169088 212003241 /nfs/dbraw/zinc/00/32/41/212003241.db2.gz XCTRSPPCBNYGFF-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN Nc1nc(Cl)cc(N[C@@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000078333874 217041593 /nfs/dbraw/zinc/04/15/93/217041593.db2.gz QLFGLBBYEGRDDB-LBPRGKRZSA-N 0 0 331.807 2.488 40 0 EEABRN CCNC(=O)NC1CCC(OC(=O)/C=C/c2c(C)nn(C)c2C)CC1 ZINC000078556535 217077734 /nfs/dbraw/zinc/07/77/34/217077734.db2.gz QGKJDBYGAXJEJQ-ZHACJKMWSA-N 0 0 348.447 2.224 40 0 EEABRN CCn1cnnc1CCNC(=O)c1ccc(Br)cc1F ZINC000078912050 217146628 /nfs/dbraw/zinc/14/66/28/217146628.db2.gz IPEGZZQEDYBRPS-UHFFFAOYSA-N 0 0 341.184 2.172 40 0 EEABRN Cn1nnnc1S[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000079091496 217190542 /nfs/dbraw/zinc/19/05/42/217190542.db2.gz ACJHPNOOLCGJAD-SNVBAGLBSA-N 0 0 343.334 2.127 40 0 EEABRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cccc(Cl)c1 ZINC000079098366 217192879 /nfs/dbraw/zinc/19/28/79/217192879.db2.gz ZJHVWNRNRZQOKD-RYUDHWBXSA-N 0 0 346.880 2.346 40 0 EEABRN COC[C@H]1CCCN(C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)C1 ZINC000079101565 217194342 /nfs/dbraw/zinc/19/43/42/217194342.db2.gz ZHUKMRCLRWAOPG-AWEZNQCLSA-N 0 0 344.415 2.364 40 0 EEABRN CCn1cnnc1CCNC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079049506 217182340 /nfs/dbraw/zinc/18/23/40/217182340.db2.gz MFVFBXUCBFKNCW-JTQLQIEISA-N 0 0 340.786 2.217 40 0 EEABRN CN(C)c1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccn1 ZINC000079335748 217210894 /nfs/dbraw/zinc/21/08/94/217210894.db2.gz NSRFUXUTYTZPES-CYBMUJFWSA-N 0 0 348.447 2.134 40 0 EEABRN Cn1ccnc1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080114182 217281103 /nfs/dbraw/zinc/28/11/03/217281103.db2.gz ZAYSPVZMZGOEAH-ZDUSSCGKSA-N 0 0 333.823 2.152 40 0 EEABRN CC[C@H](C(=O)Nc1ncccc1Br)N1CCCC1=O ZINC000081764248 217443238 /nfs/dbraw/zinc/44/32/38/217443238.db2.gz OBPNYHCOMKWOBT-SNVBAGLBSA-N 0 0 326.194 2.184 40 0 EEABRN Cc1nccn1CC1(O)CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000012143473 211305343 /nfs/dbraw/zinc/30/53/43/211305343.db2.gz RDRUFLMSODQKCO-OAHLLOKOSA-N 0 0 327.428 2.349 40 0 EEABRN Cc1cccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000010447877 211174259 /nfs/dbraw/zinc/17/42/59/211174259.db2.gz WJZLAAPKCTYAOB-OAHLLOKOSA-N 0 0 346.452 2.466 40 0 EEABRN CCOC(=O)Nc1c(C(=O)OCC)c(C)nn1-c1nc(C)cc(C)n1 ZINC000010382175 211168590 /nfs/dbraw/zinc/16/85/90/211168590.db2.gz MNIJYOVVYQUIQK-UHFFFAOYSA-N 0 0 347.375 2.333 40 0 EEABRN Cc1nc([C@@H](NC(=O)Cc2cc[nH]n2)c2ccc(Cl)cc2)no1 ZINC000092701919 218158409 /nfs/dbraw/zinc/15/84/09/218158409.db2.gz SCBAMYFWDQAQQU-AWEZNQCLSA-N 0 0 331.763 2.203 40 0 EEABRN CC(C)N(C)S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092556528 218149745 /nfs/dbraw/zinc/14/97/45/218149745.db2.gz BZXRZDNJQPXCET-UHFFFAOYSA-N 0 0 344.452 2.392 40 0 EEABRN Cn1c(N)nnc1SCc1nn(-c2ccccc2)c2c1CCC2 ZINC000092892141 218180113 /nfs/dbraw/zinc/18/01/13/218180113.db2.gz GYQKNGUACTVCNL-UHFFFAOYSA-N 0 0 326.429 2.364 40 0 EEABRN CC(=O)N[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093545867 218229826 /nfs/dbraw/zinc/22/98/26/218229826.db2.gz RLDJYNMZKAONHK-CYBMUJFWSA-N 0 0 341.249 2.428 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000009225483 211054810 /nfs/dbraw/zinc/05/48/10/211054810.db2.gz XDTHAGOHBDLGNB-SOUVJXGZSA-N 0 0 335.835 2.376 40 0 EEABRN C[C@@H](NC(=O)CNc1cccc(Cl)c1F)C(=O)N1CCCCC1 ZINC000095417932 218357298 /nfs/dbraw/zinc/35/72/98/218357298.db2.gz IFETUMAIHNOTSQ-LLVKDONJSA-N 0 0 341.814 2.408 40 0 EEABRN O=C(Nc1ccc(-c2nncn2-c2ccccc2)cn1)c1cnccn1 ZINC000095447579 218391654 /nfs/dbraw/zinc/39/16/54/218391654.db2.gz JBOVKVCPBHKRHU-UHFFFAOYSA-N 0 0 343.350 2.372 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025344 218515356 /nfs/dbraw/zinc/51/53/56/218515356.db2.gz CTAIVLIJOBJCRJ-HNNXBMFYSA-N 0 0 335.450 2.365 40 0 EEABRN Cc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049141 218539043 /nfs/dbraw/zinc/53/90/43/218539043.db2.gz ABYOYRUFYXATJE-GOSISDBHSA-N 0 0 328.416 2.249 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccsc1 ZINC000096060563 218553979 /nfs/dbraw/zinc/55/39/79/218553979.db2.gz IEZBJWQMBCDPPY-AWEZNQCLSA-N 0 0 332.429 2.136 40 0 EEABRN COCc1cnc2n1CCN(C(=O)c1nn(C)c3ccccc31)[C@@H]2C ZINC000096109624 218605009 /nfs/dbraw/zinc/60/50/09/218605009.db2.gz HYDBZFRVGIAMGV-GFCCVEGCSA-N 0 0 339.399 2.133 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240868 218713962 /nfs/dbraw/zinc/71/39/62/218713962.db2.gz WGGLOWQSVGBHMX-HNNXBMFYSA-N 0 0 348.468 2.239 40 0 EEABRN Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000096423034 218789542 /nfs/dbraw/zinc/78/95/42/218789542.db2.gz QBUGKOONAMOVCU-CQSZACIVSA-N 0 0 332.835 2.401 40 0 EEABRN CC(C)n1cnnc1C1CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000096496722 218873817 /nfs/dbraw/zinc/87/38/17/218873817.db2.gz MEYVBXGITVXHDJ-UHFFFAOYSA-N 0 0 348.838 2.390 40 0 EEABRN Cc1nnc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000096500943 218876562 /nfs/dbraw/zinc/87/65/62/218876562.db2.gz MOLZJWRMIIYZNN-ZDUSSCGKSA-N 0 0 340.305 2.070 40 0 EEABRN CC(C)c1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc(=O)[nH]1 ZINC000097095048 218948886 /nfs/dbraw/zinc/94/88/86/218948886.db2.gz WNMHJZLUARXTPX-UHFFFAOYSA-N 0 0 341.415 2.232 40 0 EEABRN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000097213528 218996470 /nfs/dbraw/zinc/99/64/70/218996470.db2.gz KGHBMTCYKFNWJG-CNFDIIHVSA-N 0 0 344.377 2.338 40 0 EEABRN C[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(=O)N1CCCCC1 ZINC000097234375 219001985 /nfs/dbraw/zinc/00/19/85/219001985.db2.gz XMXHMHCCBKVEDZ-DZGCQCFKSA-N 0 0 333.436 2.047 40 0 EEABRN C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1nccs1 ZINC000097373782 219016973 /nfs/dbraw/zinc/01/69/73/219016973.db2.gz UAHBRIFVYGBVNF-JSGCOSHPSA-N 0 0 344.440 2.351 40 0 EEABRN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000113875983 220602761 /nfs/dbraw/zinc/60/27/61/220602761.db2.gz YQGBGEXVZMLSEY-UHFFFAOYSA-N 0 0 341.335 2.333 40 0 EEABRN O=C(N1CCCC1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000306132485 257920952 /nfs/dbraw/zinc/92/09/52/257920952.db2.gz LKRGNSNWOAABBH-SZMVWBNQSA-N 0 0 345.443 2.151 40 0 EEABRN CN(C)c1ccc(-c2nnc3n2CC[C@@H](C(=O)NC2CC2)CC3)cc1 ZINC000306135206 257922229 /nfs/dbraw/zinc/92/22/29/257922229.db2.gz OKXKBOKQPXKFBV-AWEZNQCLSA-N 0 0 339.443 2.242 40 0 EEABRN Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000004553493 258051114 /nfs/dbraw/zinc/05/11/14/258051114.db2.gz FMWIWQRSNUGLIT-DACLVMHWSA-N 0 0 338.407 2.439 40 0 EEABRN CO[C@@H]1CN(C(=O)NCc2ccsc2Br)C[C@@H]1OC ZINC000282970423 292873628 /nfs/dbraw/zinc/87/36/28/292873628.db2.gz DCGFQQSTCLXWLO-AOOOYVTPSA-N 0 0 349.250 2.066 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)c1cccs1 ZINC000096473453 533283089 /nfs/dbraw/zinc/28/30/89/533283089.db2.gz AKEQIOTYWJYWHN-NEPJUHHUSA-N 0 0 349.460 2.424 40 0 EEABRN Cc1nn(CCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc12 ZINC000057279995 132199298 /nfs/dbraw/zinc/19/92/98/132199298.db2.gz ASIGVQPVNYJKNW-UHFFFAOYSA-N 0 0 349.438 2.479 40 0 EEABRN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000035313223 132389614 /nfs/dbraw/zinc/38/96/14/132389614.db2.gz YRRSTWGGKNUXDM-AWEZNQCLSA-N 0 0 339.399 2.290 40 0 EEABRN O=C(CN1C(=O)N2CCN=C2c2ccccc21)Nc1ccccc1F ZINC000057731412 135610909 /nfs/dbraw/zinc/61/09/09/135610909.db2.gz DRJMBHWRONVLKP-UHFFFAOYSA-N 0 0 338.342 2.467 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478681 286181172 /nfs/dbraw/zinc/18/11/72/286181172.db2.gz XHUMFLLNFWAUSZ-DZKIICNBSA-N 0 0 341.498 2.205 40 0 EEABRN COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 ZINC000225477873 286283133 /nfs/dbraw/zinc/28/31/33/286283133.db2.gz MYKGZSKACAFSDW-HOCLYGCPSA-N 0 0 338.363 2.309 40 0 biogenic,in-vitro EEABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C ZINC000223062192 292347821 /nfs/dbraw/zinc/34/78/21/292347821.db2.gz BALBISMTHROCOB-CVEARBPZSA-N 0 0 330.457 2.429 40 0 EEABRN C=C(C(=O)OC)C(C(=O)OC)=C(N1CCCCC1)N1CCCCC1 ZINC000001737494 277762498 /nfs/dbraw/zinc/76/24/98/277762498.db2.gz RVMAFWRAXNWVCX-UHFFFAOYSA-N 0 0 336.432 2.072 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000253394926 278060695 /nfs/dbraw/zinc/06/06/95/278060695.db2.gz CQPCKCQYPPXOKK-DEWZPKMOSA-N 0 0 331.412 2.205 40 0 EEABRN Cc1nc2c(c(N3CCC[C@H](O)C3)n1)CCN(Cc1ccccc1)C2 ZINC000072335699 279112028 /nfs/dbraw/zinc/11/20/28/279112028.db2.gz GLEKHPVDUVMVNE-KRWDZBQOSA-N 0 0 338.455 2.304 40 0 EEABRN Cc1ncsc1CN1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000248051250 279180652 /nfs/dbraw/zinc/18/06/52/279180652.db2.gz SIDHXRZSFDWXPX-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN CC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(=O)Nc1nccs1 ZINC000240225393 279188628 /nfs/dbraw/zinc/18/86/28/279188628.db2.gz DHOCUXHDXFFHBZ-QNWHQSFQSA-N 0 0 339.461 2.426 40 0 EEABRN Cc1cc(Br)cc2c1N(C(=O)c1cnnn1C)CCC2 ZINC000253427714 280308517 /nfs/dbraw/zinc/30/85/17/280308517.db2.gz YODCZKNKSGTFDI-UHFFFAOYSA-N 0 0 335.205 2.479 40 0 EEABRN Cc1nc2cc(-c3nccn3C)nn2c(N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000072338514 282048512 /nfs/dbraw/zinc/04/85/12/282048512.db2.gz GENMTYPDWDSXPS-TXEJJXNPSA-N 0 0 340.431 2.360 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000097371295 289024207 /nfs/dbraw/zinc/02/42/07/289024207.db2.gz LPDZKUDBNIHHCG-MNOVXSKESA-N 0 0 329.849 2.282 40 0 EEABRN Cc1scc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)c1C ZINC000020343441 294094238 /nfs/dbraw/zinc/09/42/38/294094238.db2.gz FGVOKSLJHOLXEW-XCCSTKFXSA-N 0 0 330.409 2.207 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000298096253 294418886 /nfs/dbraw/zinc/41/88/86/294418886.db2.gz JBTHPDQPPWTBAA-UHFFFAOYSA-N 0 0 340.423 2.451 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000044874874 297225957 /nfs/dbraw/zinc/22/59/57/297225957.db2.gz BVIPUPHSARGUAT-ZIAGYGMSSA-N 0 0 336.457 2.345 40 0 EEABRN Cc1nc(C[S@](=O)Cc2nnnn2-c2cc(C)ccc2F)oc1C ZINC000096501474 302594084 /nfs/dbraw/zinc/59/40/84/302594084.db2.gz BYQFJSHFPKJDJY-DEOSSOPVSA-N 0 0 349.391 2.164 40 0 EEABRN O=C([O-])c1cnc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC000515351675 316483438 /nfs/dbraw/zinc/48/34/38/316483438.db2.gz QWHRCJMGRYFWNC-UHFFFAOYSA-N 0 0 340.383 2.065 40 0 EEABRN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000097376524 323322410 /nfs/dbraw/zinc/32/24/10/323322410.db2.gz QXHSCNAIGPUPJX-KGLIPLIRSA-N 0 0 338.473 2.032 40 0 EEABRN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000155241458 323332317 /nfs/dbraw/zinc/33/23/17/323332317.db2.gz MZNYQGXFYRAOAR-DLBZAZTESA-N 0 0 342.439 2.475 40 0 EEABRN CCOC(=O)Cn1nnc(C(=O)c2ccco2)c1-c1ccccc1 ZINC000000037903 462540811 /nfs/dbraw/zinc/54/08/11/462540811.db2.gz BDXCSGLOVQLJDU-UHFFFAOYSA-N 0 0 325.324 2.332 40 0 EEABRN CCOC(=O)c1cnc(SCCOc2ccc(OC)cc2)nc1N ZINC000336877261 465070072 /nfs/dbraw/zinc/07/00/72/465070072.db2.gz PHKVCIFZPQAKMY-UHFFFAOYSA-N 0 0 349.412 2.415 40 0 EEABRN O=S(=O)(Cc1ccco1)Cc1noc(-c2ccc(Cl)nc2)n1 ZINC000000165929 462545456 /nfs/dbraw/zinc/54/54/56/462545456.db2.gz JOOADRLCMSADFI-UHFFFAOYSA-N 0 0 339.760 2.493 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)NCc1ccccc1Cl)CS2 ZINC000085473620 462550658 /nfs/dbraw/zinc/55/06/58/462550658.db2.gz IDPGELPUZUZFNG-LBPRGKRZSA-N 0 0 349.843 2.243 40 0 EEABRN O=S(=O)(NCc1ccc([C@@H](O)c2cccs2)s1)C1CC1 ZINC000085562224 462554435 /nfs/dbraw/zinc/55/44/35/462554435.db2.gz RIXLSPVMDQCKCR-ZDUSSCGKSA-N 0 0 329.468 2.473 40 0 EEABRN Cc1cc(CC(=O)Nc2ccccc2Sc2nncn2C)no1 ZINC000074239164 462574053 /nfs/dbraw/zinc/57/40/53/462574053.db2.gz NCDBHDWTTRSWTE-UHFFFAOYSA-N 0 0 329.385 2.444 40 0 EEABRN CC(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(NC(C)=O)c1)C2=O ZINC000000823276 462575163 /nfs/dbraw/zinc/57/51/63/462575163.db2.gz SZHCQQQKIVPGNA-UHFFFAOYSA-N 0 0 337.335 2.404 40 0 EEABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC ZINC000000904995 462575334 /nfs/dbraw/zinc/57/53/34/462575334.db2.gz PPHPVDCVLNQXCR-UHFFFAOYSA-N 0 0 340.836 2.369 40 0 EEABRN Cc1nn([C@@H](C)C(=O)N(C)C)c(Br)c1Br ZINC000002041443 462589095 /nfs/dbraw/zinc/58/90/95/462589095.db2.gz DBIDLMGZWOBQMU-LURJTMIESA-N 0 0 339.031 2.366 40 0 EEABRN C[C@H](NC(=O)NCCC(=O)N(C)C)c1cccc(N2CCCC2)c1 ZINC000087134138 462591818 /nfs/dbraw/zinc/59/18/18/462591818.db2.gz JZVQFKAOSDKJBV-AWEZNQCLSA-N 0 0 332.448 2.125 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000045538913 462595312 /nfs/dbraw/zinc/59/53/12/462595312.db2.gz IIYGHAPHXADQQZ-UHFFFAOYSA-N 0 0 345.422 2.322 40 0 EEABRN Cc1noc(CCNC(=O)c2c(F)cc(Br)cc2F)n1 ZINC000087210257 462595738 /nfs/dbraw/zinc/59/57/38/462595738.db2.gz QVCVOQLYMVSCCX-UHFFFAOYSA-N 0 0 346.131 2.391 40 0 EEABRN O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)C(F)(F)Cl ZINC000153090440 462614695 /nfs/dbraw/zinc/61/46/95/462614695.db2.gz WHACQCXOPQTSRJ-GFCCVEGCSA-N 0 0 330.762 2.025 40 0 EEABRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCCS(C)(=O)=O ZINC000088200762 462614780 /nfs/dbraw/zinc/61/47/80/462614780.db2.gz INXFQJJITHLDOD-OAHLLOKOSA-N 0 0 338.473 2.068 40 0 EEABRN CNC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C)nn1 ZINC000074726632 462627615 /nfs/dbraw/zinc/62/76/15/462627615.db2.gz FGTUOKRGIDORTB-UHFFFAOYSA-N 0 0 325.397 2.388 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)N1CCC1 ZINC000074746945 462629783 /nfs/dbraw/zinc/62/97/83/462629783.db2.gz VSYJMRKENYEGPD-ZDUSSCGKSA-N 0 0 339.342 2.199 40 0 EEABRN NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000045957391 462633289 /nfs/dbraw/zinc/63/32/89/462633289.db2.gz PTGYWXBPGOXPRU-UHFFFAOYSA-N 0 0 340.452 2.305 40 0 EEABRN Cc1ccc2nnc(C(=O)N3CCN(c4ccccc4)CC3)nc2c1 ZINC000046088956 462645909 /nfs/dbraw/zinc/64/59/09/462645909.db2.gz TWRKEJSIKBBBTD-UHFFFAOYSA-N 0 0 333.395 2.296 40 0 EEABRN CSc1nc(=O)c2[n+]([n-]1)[C@@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000005587049 462663910 /nfs/dbraw/zinc/66/39/10/462663910.db2.gz PXVBCBSVPHTUCI-HNNXBMFYSA-O 0 0 339.400 2.124 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000006267029 462680586 /nfs/dbraw/zinc/68/05/86/462680586.db2.gz QKXYEIJWTIGHOB-SNVBAGLBSA-N 0 0 340.351 2.270 40 0 EEABRN O=C(c1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCCC1 ZINC000006322604 462681920 /nfs/dbraw/zinc/68/19/20/462681920.db2.gz KZAKAMYJPASIKD-UHFFFAOYSA-N 0 0 329.381 2.186 40 0 EEABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)NCCO)n1 ZINC000006527931 462688243 /nfs/dbraw/zinc/68/82/43/462688243.db2.gz SHUKQASZSJSGAK-UHFFFAOYSA-N 0 0 337.832 2.306 40 0 EEABRN CCc1ccccc1NC(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC000075166233 462691288 /nfs/dbraw/zinc/69/12/88/462691288.db2.gz HJVIYGINLKUTMH-UHFFFAOYSA-N 0 0 340.431 2.435 40 0 EEABRN CCCCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000006596867 462692047 /nfs/dbraw/zinc/69/20/47/462692047.db2.gz DJFFEVSPFHOWFL-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 ZINC000006945792 462713847 /nfs/dbraw/zinc/71/38/47/462713847.db2.gz NGUBCIGOMXMXRD-GFCCVEGCSA-N 0 0 329.418 2.095 40 0 EEABRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CN1CCCC1=O ZINC000064827910 462722905 /nfs/dbraw/zinc/72/29/05/462722905.db2.gz GSDJEIJOYSVMBT-UHFFFAOYSA-N 0 0 343.305 2.225 40 0 EEABRN CCN(CC)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000047054072 462739341 /nfs/dbraw/zinc/73/93/41/462739341.db2.gz FSLSQWRMELXEFM-UHFFFAOYSA-N 0 0 348.443 2.424 40 0 EEABRN COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 ZINC000090607221 462802976 /nfs/dbraw/zinc/80/29/76/462802976.db2.gz DWRIDBCBWNHHDY-UHFFFAOYSA-N 0 0 337.383 2.491 40 0 EEABRN CC[C@@H]1c2cccn2CCN1C(=O)CNC(=O)c1ccccc1OC ZINC000155348852 462878500 /nfs/dbraw/zinc/87/85/00/462878500.db2.gz QTUCOVUOEWOWNT-OAHLLOKOSA-N 0 0 341.411 2.220 40 0 EEABRN C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000015419743 462951612 /nfs/dbraw/zinc/95/16/12/462951612.db2.gz FCMNGNHBCCYXCJ-AWEZNQCLSA-N 0 0 336.457 2.343 40 0 EEABRN CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015396888 462951679 /nfs/dbraw/zinc/95/16/79/462951679.db2.gz IUWVVOAPNISZON-UHFFFAOYSA-N 0 0 332.425 2.408 40 0 EEABRN OCCN1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000017068552 462993289 /nfs/dbraw/zinc/99/32/89/462993289.db2.gz UDNALRFXVXEDDX-UHFFFAOYSA-N 0 0 333.379 2.012 40 0 EEABRN Cc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000022273062 463048318 /nfs/dbraw/zinc/04/83/18/463048318.db2.gz JMGXPACNSSYKFQ-UHFFFAOYSA-N 0 0 346.452 2.420 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000052411909 463077854 /nfs/dbraw/zinc/07/78/54/463077854.db2.gz WWHZJZRBEUEZMH-UHFFFAOYSA-N 0 0 327.450 2.495 40 0 EEABRN O=C(c1ccncn1)N1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040322 463144998 /nfs/dbraw/zinc/14/49/98/463144998.db2.gz ZZKDEOKSXBYVEB-IEBWSBKVSA-N 0 0 345.443 2.305 40 0 EEABRN c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 ZINC000096042238 463147247 /nfs/dbraw/zinc/14/72/47/463147247.db2.gz OLOFLABSQQZWBL-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccs1 ZINC000096045369 463148589 /nfs/dbraw/zinc/14/85/89/463148589.db2.gz RXVVRMREKODTTH-ZDUSSCGKSA-N 0 0 332.429 2.136 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 ZINC000096044853 463149109 /nfs/dbraw/zinc/14/91/09/463149109.db2.gz KXPAOMQFNMKVHU-CQSZACIVSA-N 0 0 346.431 2.437 40 0 EEABRN Cc1occc1C(=O)N1CCn2c(Cn3cccn3)cnc2[C@H]1C ZINC000096062053 463161494 /nfs/dbraw/zinc/16/14/94/463161494.db2.gz LRKWRFLXDAKAQS-GFCCVEGCSA-N 0 0 325.372 2.246 40 0 EEABRN Cc1nc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096074839 463169271 /nfs/dbraw/zinc/16/92/71/463169271.db2.gz KJJPDIDRFGAKOC-QGZVFWFLSA-N 0 0 345.472 2.113 40 0 EEABRN Fc1cnc(N2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@H]32)nc1 ZINC000096082903 463170988 /nfs/dbraw/zinc/17/09/88/463170988.db2.gz YFFVUUAVXFXBKI-DJIMGWMZSA-N 0 0 344.390 2.211 40 0 EEABRN COc1ccc(S(=O)(=O)C2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000096099605 463172781 /nfs/dbraw/zinc/17/27/81/463172781.db2.gz RHOWIOCYJXLJPY-UHFFFAOYSA-N 0 0 337.441 2.260 40 0 EEABRN O=C(c1ccncc1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110375 463178260 /nfs/dbraw/zinc/17/82/60/463178260.db2.gz GLRLBHDODJXUKG-MJGOQNOKSA-N 0 0 339.395 2.177 40 0 EEABRN O=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000157861058 463178983 /nfs/dbraw/zinc/17/89/83/463178983.db2.gz HRCPJXVDMQTWKF-RTBURBONSA-N 0 0 343.471 2.460 40 0 EEABRN O=S(=O)(NC[C@H]1COCc2nc3ccccc3n21)c1ccccc1 ZINC000096112455 463180087 /nfs/dbraw/zinc/18/00/87/463180087.db2.gz CJUKKQZBOWAMJB-ZDUSSCGKSA-N 0 0 343.408 2.086 40 0 biogenic,in-vitro EEABRN Cc1nc(NC(=O)[C@H](C)Nc2cccc(NC(=O)CO)c2)sc1C ZINC000079030829 463181721 /nfs/dbraw/zinc/18/17/21/463181721.db2.gz ZYMMODGBZAFCEI-JTQLQIEISA-N 0 0 348.428 2.130 40 0 EEABRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123335 463182040 /nfs/dbraw/zinc/18/20/40/463182040.db2.gz NZNDPHVUIIMMGQ-PXAZEXFGSA-N 0 0 343.383 2.402 40 0 EEABRN O=C(c1ccco1)N1CCOC2(CCN(Cc3nccs3)CC2)C1 ZINC000096158897 463190630 /nfs/dbraw/zinc/19/06/30/463190630.db2.gz ZVCGAGLYCXRONB-UHFFFAOYSA-N 0 0 347.440 2.243 40 0 EEABRN CCOCC(=O)N1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC000096160979 463191957 /nfs/dbraw/zinc/19/19/57/463191957.db2.gz KLEVKQWLGUFMND-VQIMIIECSA-N 0 0 348.443 2.032 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H](C)C[C@H](C)C3)OCC(=O)N2C)cc1 ZINC000096181507 463194224 /nfs/dbraw/zinc/19/42/24/463194224.db2.gz MGBSNYYRYVXTTQ-OHQAAIJDSA-N 0 0 344.455 2.398 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096188006 463200046 /nfs/dbraw/zinc/20/00/46/463200046.db2.gz SUZGUWSZGGFGQH-OAHLLOKOSA-N 0 0 326.400 2.116 40 0 EEABRN Cc1ccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)s1 ZINC000096188617 463200690 /nfs/dbraw/zinc/20/06/90/463200690.db2.gz WNTBDIVBSBMGGO-AWEZNQCLSA-N 0 0 328.445 2.177 40 0 EEABRN O=C(C1CCC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096188004 463200724 /nfs/dbraw/zinc/20/07/24/463200724.db2.gz KEHUYKNWHLWVCY-AWEZNQCLSA-N 0 0 326.400 2.116 40 0 EEABRN CCOC[C@@H]1c2c(cnn2C)CCN1C(=O)CCOc1ccccc1 ZINC000096197757 463202896 /nfs/dbraw/zinc/20/28/96/463202896.db2.gz ULDBOCGBNHXTEO-QGZVFWFLSA-N 0 0 343.427 2.352 40 0 EEABRN CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cn(CC)nc21 ZINC000096198093 463204270 /nfs/dbraw/zinc/20/42/70/463204270.db2.gz MNCHMVUUBGJMBI-HNNXBMFYSA-N 0 0 328.416 2.003 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccn2C)Cc2cn(CC3CC3)nc21 ZINC000096198121 463204403 /nfs/dbraw/zinc/20/44/03/463204403.db2.gz ODRLGIDURSTFIA-HNNXBMFYSA-N 0 0 328.416 2.018 40 0 EEABRN O=C(C1CC=CC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202224 463207619 /nfs/dbraw/zinc/20/76/19/463207619.db2.gz XUQTZRYCZFJQRM-SFHVURJKSA-N 0 0 347.484 2.160 40 0 EEABRN COc1ccc(N(C(=O)[C@@H]2CSCN2C(C)=O)C(C)C)cc1F ZINC000158137839 463209247 /nfs/dbraw/zinc/20/92/47/463209247.db2.gz ORZNYOGGZRSJEA-AWEZNQCLSA-N 0 0 340.420 2.497 40 0 EEABRN CC(C)NC(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228207 463222456 /nfs/dbraw/zinc/22/24/56/463222456.db2.gz FAUZISNFNIMSOU-UHFFFAOYSA-N 0 0 330.432 2.157 40 0 EEABRN CO[C@@H](C(=O)N1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1 ZINC000069341815 463232977 /nfs/dbraw/zinc/23/29/77/463232977.db2.gz OWRDVKVPYIKDGT-GOSISDBHSA-N 0 0 340.427 2.130 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000028914390 463236184 /nfs/dbraw/zinc/23/61/84/463236184.db2.gz WAPVJWSXTAZVSK-CQSZACIVSA-N 0 0 333.409 2.422 40 0 EEABRN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cccc2cn[nH]c21 ZINC000096402349 463237401 /nfs/dbraw/zinc/23/74/01/463237401.db2.gz WBUQZHOULSNMEE-OAHLLOKOSA-N 0 0 338.367 2.077 40 0 EEABRN O=C(CN1CCC(Oc2ccc(F)cc2)CC1)NCc1cccnc1 ZINC000096406608 463240215 /nfs/dbraw/zinc/24/02/15/463240215.db2.gz HCPAENPAQKZKQB-UHFFFAOYSA-N 0 0 343.402 2.380 40 0 EEABRN CC(C)N(C)S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000096406695 463240386 /nfs/dbraw/zinc/24/03/86/463240386.db2.gz OFLZRWGTMDOMJV-UHFFFAOYSA-N 0 0 344.824 2.065 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1csnn1 ZINC000096408552 463241761 /nfs/dbraw/zinc/24/17/61/463241761.db2.gz JFAUXPSUQBJHGH-VIFPVBQESA-N 0 0 340.355 2.148 40 0 EEABRN O=C(NCCNC(=O)C1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000096409836 463242487 /nfs/dbraw/zinc/24/24/87/463242487.db2.gz WSHZIWVASHFGHT-UHFFFAOYSA-N 0 0 340.427 2.299 40 0 EEABRN C[C@H](c1ccc(NC(=O)NCc2cnn(C)c2)cc1)N1CCOCC1 ZINC000096410656 463243764 /nfs/dbraw/zinc/24/37/64/463243764.db2.gz PKMOJMDNHSNYLB-CQSZACIVSA-N 0 0 343.431 2.135 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC2(O)CCCCCC2)C1 ZINC000096411765 463244666 /nfs/dbraw/zinc/24/46/66/463244666.db2.gz YPGNFJXUPINUFM-HNNXBMFYSA-N 0 0 338.492 2.473 40 0 EEABRN CCOc1cc(CCCNC(=O)c2cc(C)n(C)n2)ccc1OC ZINC000096412221 463245238 /nfs/dbraw/zinc/24/52/38/463245238.db2.gz GOMWDFLKLWWWQC-UHFFFAOYSA-N 0 0 331.416 2.498 40 0 EEABRN CC(C)c1noc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)n1 ZINC000096413590 463246426 /nfs/dbraw/zinc/24/64/26/463246426.db2.gz YKWAAABDAJHLAI-UHFFFAOYSA-N 0 0 336.779 2.144 40 0 EEABRN CS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000096415358 463247955 /nfs/dbraw/zinc/24/79/55/463247955.db2.gz OZGNFEQIBMHQHZ-HZPDHXFCSA-N 0 0 338.473 2.132 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCS1(=O)=O ZINC000096416153 463248370 /nfs/dbraw/zinc/24/83/70/463248370.db2.gz NFZCHECFMWUKDT-SNVBAGLBSA-N 0 0 335.347 2.446 40 0 EEABRN CC1(C)[C@H](NC(=O)NCCOCCc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000096421594 463253097 /nfs/dbraw/zinc/25/30/97/463253097.db2.gz KMRQVNKZCQDSAV-BBWFWOEESA-N 0 0 332.444 2.358 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1=O ZINC000096423036 463253893 /nfs/dbraw/zinc/25/38/93/463253893.db2.gz NXFWILLUFMDXNI-CQSZACIVSA-N 0 0 345.830 2.438 40 0 EEABRN CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424733 463255169 /nfs/dbraw/zinc/25/51/69/463255169.db2.gz BQXRPILHIHOGTB-STQMWFEESA-N 0 0 325.478 2.302 40 0 EEABRN O=S(=O)(c1cnn(-c2ccccc2F)c1)N(CC(F)F)C1CC1 ZINC000096427949 463257884 /nfs/dbraw/zinc/25/78/84/463257884.db2.gz COGOQZAVCYMNEK-UHFFFAOYSA-N 0 0 345.346 2.430 40 0 EEABRN CN(Cc1ccncc1)c1ncccc1S(=O)(=O)N1CCCCC1 ZINC000096429124 463259336 /nfs/dbraw/zinc/25/93/36/463259336.db2.gz XIAHHWQXGGZQEY-UHFFFAOYSA-N 0 0 346.456 2.288 40 0 EEABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1S(N)(=O)=O ZINC000029508395 463259979 /nfs/dbraw/zinc/25/99/79/463259979.db2.gz YISISNUXESBVAP-UHFFFAOYSA-N 0 0 340.445 2.185 40 0 EEABRN O=C(CCn1ccnc1-c1ccncc1)NC(=O)NCc1ccccc1 ZINC000096435815 463263608 /nfs/dbraw/zinc/26/36/08/463263608.db2.gz HWVBVPVFYVBDLK-UHFFFAOYSA-N 0 0 349.394 2.361 40 0 EEABRN CCn1ccc2ccc(NC(=O)[C@@H](NC(=O)COC)C(C)C)cc21 ZINC000096437174 463264462 /nfs/dbraw/zinc/26/44/62/463264462.db2.gz XCDRCSVYTTYUTC-KRWDZBQOSA-N 0 0 331.416 2.387 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1cccc(CO)c1 ZINC000096436366 463265146 /nfs/dbraw/zinc/26/51/46/463265146.db2.gz FUDRSSIWZICGEV-UHFFFAOYSA-N 0 0 339.370 2.363 40 0 EEABRN Cc1ccc(N2CCC(NC(=O)NCCOCC3CC3)CC2)nc1 ZINC000096440033 463266147 /nfs/dbraw/zinc/26/61/47/463266147.db2.gz LOIUBDYISSOFKX-UHFFFAOYSA-N 0 0 332.448 2.085 40 0 EEABRN O=C(CN(Cc1ccc(Cl)nc1)C[C@H]1CCCO1)N1CCCC1 ZINC000096441686 463267270 /nfs/dbraw/zinc/26/72/70/463267270.db2.gz DPEVSOJEBDUWIV-OAHLLOKOSA-N 0 0 337.851 2.338 40 0 EEABRN C[C@](NC(=O)c1ccccn1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454564 463274331 /nfs/dbraw/zinc/27/43/31/463274331.db2.gz GEBCFNYLWSQSMA-OAHLLOKOSA-N 0 0 337.301 2.231 40 0 EEABRN CCc1ccccc1C(=O)NC1CCC(N2C(=O)CCC2=O)CC1 ZINC000096484973 463284035 /nfs/dbraw/zinc/28/40/35/463284035.db2.gz ZRQGFJBTNXPVBF-UHFFFAOYSA-N 0 0 328.412 2.439 40 0 EEABRN C[C@@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCS(=O)(=O)C1 ZINC000069602193 463284710 /nfs/dbraw/zinc/28/47/10/463284710.db2.gz MVBINPVYSQTQDA-MRXNPFEDSA-N 0 0 337.372 2.393 40 0 EEABRN CC(C)[C@@H](C(=O)Nc1cc(F)ccc1Cl)N1CCCS1(=O)=O ZINC000096489136 463285151 /nfs/dbraw/zinc/28/51/51/463285151.db2.gz LHQALSWAMKBNPI-ZDUSSCGKSA-N 0 0 348.827 2.478 40 0 EEABRN C[C@H](NCc1nc(C2CC2)no1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491984 463288113 /nfs/dbraw/zinc/28/81/13/463288113.db2.gz MLROMZFTSCQLPN-VIFPVBQESA-N 0 0 339.392 2.340 40 0 EEABRN CN(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000096493276 463288352 /nfs/dbraw/zinc/28/83/52/463288352.db2.gz VUELFDDBPFKUON-ZIAGYGMSSA-N 0 0 328.359 2.207 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(c3cc(NCC4CC4)ncn3)C2)no1 ZINC000096496704 463289138 /nfs/dbraw/zinc/28/91/38/463289138.db2.gz WUDHLSLRHHGLLE-AWEZNQCLSA-N 0 0 328.420 2.449 40 0 EEABRN Cc1ccc([C@](C)(O)CNC(=O)CN2CCC(C(F)(F)F)CC2)o1 ZINC000096495809 463289346 /nfs/dbraw/zinc/28/93/46/463289346.db2.gz FZNQMXFHVLPOSG-OAHLLOKOSA-N 0 0 348.365 2.186 40 0 EEABRN OC[C@@H](O)CSCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096500991 463291668 /nfs/dbraw/zinc/29/16/68/463291668.db2.gz DJVMPDDNPMOONZ-SNVBAGLBSA-N 0 0 334.228 2.161 40 0 EEABRN C[C@H](CNC(=O)N[C@@H]1CCCc2sccc21)CN1CCOCC1 ZINC000096503281 463292848 /nfs/dbraw/zinc/29/28/48/463292848.db2.gz OZECIHBHDGQVQW-UKRRQHHQSA-N 0 0 337.489 2.393 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000097095123 463321512 /nfs/dbraw/zinc/32/15/12/463321512.db2.gz CSLNQFXSACQXKA-WFASDCNBSA-N 0 0 349.406 2.031 40 0 EEABRN Cc1nc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)c2ccccn12 ZINC000097227560 463349487 /nfs/dbraw/zinc/34/94/87/463349487.db2.gz ZONBGLOUAPGBKN-ZDUSSCGKSA-N 0 0 339.374 2.186 40 0 EEABRN CCN1CCN(C(=O)c2cnc(SC)n2-c2ccccc2)CC1 ZINC000057289980 463475360 /nfs/dbraw/zinc/47/53/60/463475360.db2.gz SBNGNWIKMBIAAX-UHFFFAOYSA-N 0 0 330.457 2.372 40 0 EEABRN CCC(=O)N1CCN(c2ccc(NC(N)=S)cc2Cl)CC1 ZINC000057332484 463479555 /nfs/dbraw/zinc/47/95/55/463479555.db2.gz LHNFDLVUKYOIET-UHFFFAOYSA-N 0 0 326.853 2.054 40 0 EEABRN CCOC(=O)[C@@H](C)n1c2ccccc2n([C@H](C)C(=O)OCC)c1=O ZINC000082087000 463513194 /nfs/dbraw/zinc/51/31/94/463513194.db2.gz DMQZUKDKCSJLTR-VXGBXAGGSA-N 0 0 334.372 2.051 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000042070823 463539461 /nfs/dbraw/zinc/53/94/61/463539461.db2.gz FQCGZDGERNEVFE-UHFFFAOYSA-N 0 0 348.786 2.482 40 0 EEABRN Cc1ccc(N2CCC3(CCN(C(=O)[C@@H]4CCOC4)CC3)CC2)nn1 ZINC000107084750 463559254 /nfs/dbraw/zinc/55/92/54/463559254.db2.gz SZUXHRFGLTWCDJ-MRXNPFEDSA-N 0 0 344.459 2.031 40 0 EEABRN Cc1cc(CN2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)no1 ZINC000107714485 463580158 /nfs/dbraw/zinc/58/01/58/463580158.db2.gz PCGBCCIRVARCNG-SQNIBIBYSA-N 0 0 346.431 2.018 40 0 EEABRN CCn1cnnc1CNS(=O)(=O)c1c(C)sc2ccccc21 ZINC000084936727 463638016 /nfs/dbraw/zinc/63/80/16/463638016.db2.gz WVGAYGKRCRGDTO-UHFFFAOYSA-N 0 0 336.442 2.300 40 0 EEABRN Cc1nc(C)c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000044866442 463696968 /nfs/dbraw/zinc/69/69/68/463696968.db2.gz CAKCJBLSVDHAOE-UHFFFAOYSA-N 0 0 328.397 2.269 40 0 EEABRN COc1cc(C(=O)N[C@@H](C)c2ccccc2F)ccc1OCC(N)=O ZINC000044872512 463697870 /nfs/dbraw/zinc/69/78/70/463697870.db2.gz UEGHLTOSTWBVLK-NSHDSACASA-N 0 0 346.358 2.189 40 0 EEABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCC)cc2NC1=O ZINC000257173496 463755998 /nfs/dbraw/zinc/75/59/98/463755998.db2.gz PAZGUZUMSQFTJI-AWEZNQCLSA-N 0 0 326.418 2.265 40 0 EEABRN CCn1cc(-c2ccnc3cc(C(=O)NCC4CCC4)nn32)c(C)n1 ZINC000257282418 463759428 /nfs/dbraw/zinc/75/94/28/463759428.db2.gz OTRKSYXSDGWRSD-UHFFFAOYSA-N 0 0 338.415 2.451 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 ZINC000257283378 463761193 /nfs/dbraw/zinc/76/11/93/463761193.db2.gz OYAJUXHKCKNSMV-ZDUSSCGKSA-N 0 0 340.383 2.183 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257287856 463762798 /nfs/dbraw/zinc/76/27/98/463762798.db2.gz PRTKTWJYZLUXHN-CYBMUJFWSA-N 0 0 335.429 2.295 40 0 EEABRN CN(C)Cc1ccnc([C@H]2CN(Cc3cccc(F)c3)CCO2)n1 ZINC000257291525 463764951 /nfs/dbraw/zinc/76/49/51/463764951.db2.gz QHJFYWGCHMULSA-QGZVFWFLSA-N 0 0 330.407 2.251 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)s1 ZINC000257292747 463766313 /nfs/dbraw/zinc/76/63/13/463766313.db2.gz QMUMZDMKEAXSAB-AWEZNQCLSA-N 0 0 332.429 2.380 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3ccncn3)C2)o1 ZINC000257306120 463769852 /nfs/dbraw/zinc/76/98/52/463769852.db2.gz SSZSNBPEVZRCAA-ZDUSSCGKSA-N 0 0 329.404 2.322 40 0 EEABRN O=C(NCc1ccnnc1)c1cnn2c1nccc2-c1ccc(F)cc1 ZINC000257306058 463770603 /nfs/dbraw/zinc/77/06/03/463770603.db2.gz SSSXPZFIXFDTJS-UHFFFAOYSA-N 0 0 348.341 2.255 40 0 EEABRN C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000194022489 463774894 /nfs/dbraw/zinc/77/48/94/463774894.db2.gz CCQRXFNJYCDKLR-HUUCEWRRSA-N 0 0 327.428 2.209 40 0 EEABRN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000257318482 463775770 /nfs/dbraw/zinc/77/57/70/463775770.db2.gz VOCSFBJNJGXPNC-MRXNPFEDSA-N 0 0 334.379 2.343 40 0 EEABRN CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)cc2)[C@H]1O ZINC000257326806 463779742 /nfs/dbraw/zinc/77/97/42/463779742.db2.gz WYQPJOYGCZLYHS-KZNAEPCWSA-N 0 0 332.444 2.287 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257329922 463781660 /nfs/dbraw/zinc/78/16/60/463781660.db2.gz XMAGSLWOFMBRJC-LBPRGKRZSA-N 0 0 332.404 2.185 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2Cc2ncccc2C)n1 ZINC000257333742 463783226 /nfs/dbraw/zinc/78/32/26/463783226.db2.gz YCWSHCOPESXRAE-GOSISDBHSA-N 0 0 325.416 2.153 40 0 EEABRN Cc1c(CCC(=O)N2CCN(C)[C@H](c3ccccc3)C2)cnn1C ZINC000257342896 463787540 /nfs/dbraw/zinc/78/75/40/463787540.db2.gz ZQNFYVCAGMQONC-SFHVURJKSA-N 0 0 326.444 2.176 40 0 EEABRN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(F)c(Br)c1 ZINC000194086247 463789412 /nfs/dbraw/zinc/78/94/12/463789412.db2.gz OJFIOCNCCMYQFK-CPCISQLKSA-N 0 0 344.184 2.234 40 0 EEABRN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccco2)cc(N)c1=O ZINC000257366547 463789662 /nfs/dbraw/zinc/78/96/62/463789662.db2.gz FAEMBUTTZRVJSV-XQQFMLRXSA-N 0 0 344.415 2.151 40 0 EEABRN Cc1c(Br)cccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000171154606 463798990 /nfs/dbraw/zinc/79/89/90/463798990.db2.gz QMSIYWXIVRNOTM-VIFPVBQESA-N 0 0 347.234 2.066 40 0 EEABRN O=C(CCN[C@@H](c1ccc(F)cc1)c1ncccn1)N1CCCC1 ZINC000195560580 464076363 /nfs/dbraw/zinc/07/63/63/464076363.db2.gz XPHDVAUZGYWEMH-KRWDZBQOSA-N 0 0 328.391 2.307 40 0 EEABRN O=C(c1cccnc1C(F)(F)F)N1CCC(c2nnc[nH]2)CC1 ZINC000195578056 464079847 /nfs/dbraw/zinc/07/98/47/464079847.db2.gz JGXBKWHZGUOGGE-UHFFFAOYSA-N 0 0 325.294 2.238 40 0 EEABRN O=C(C1CCOCC1)N(CCO)Cc1cccc(Br)c1 ZINC000195580551 464082113 /nfs/dbraw/zinc/08/21/13/464082113.db2.gz SUGBSGXGBJGRHW-UHFFFAOYSA-N 0 0 342.233 2.197 40 0 EEABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223565399 464143267 /nfs/dbraw/zinc/14/32/67/464143267.db2.gz ZDWVBTMVGBWFMT-HOTGVXAUSA-N 0 0 330.457 2.429 40 0 EEABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223565299 464143346 /nfs/dbraw/zinc/14/33/46/464143346.db2.gz ZDWVBTMVGBWFMT-CVEARBPZSA-N 0 0 330.457 2.429 40 0 EEABRN CCc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000224253858 464150315 /nfs/dbraw/zinc/15/03/15/464150315.db2.gz YPJNHASUMDGITB-UHFFFAOYSA-N 0 0 325.416 2.043 40 0 EEABRN Cc1ccc(CN(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1 ZINC000225016787 464152706 /nfs/dbraw/zinc/15/27/06/464152706.db2.gz DDZSXCLHOPRCEL-UHFFFAOYSA-N 0 0 338.473 2.206 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](Oc2cccnn2)C1 ZINC000225410782 464158639 /nfs/dbraw/zinc/15/86/39/464158639.db2.gz VTEKRWPRIYLYMK-GFCCVEGCSA-N 0 0 333.775 2.432 40 0 EEABRN C[C@@H](Sc1nc2cncnc2[nH]1)C(=O)NCCc1cccs1 ZINC000225444603 464161442 /nfs/dbraw/zinc/16/14/42/464161442.db2.gz BLSYWOWJVBSPTG-SECBINFHSA-N 0 0 333.442 2.254 40 0 EEABRN O=C([O-])C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000225475418 464163820 /nfs/dbraw/zinc/16/38/20/464163820.db2.gz UWUWWBBMAFJDTM-UHFFFAOYSA-N 0 0 341.205 2.184 40 0 EEABRN Cc1cc(C)n(-c2ccc(N3CCC[C@H]3Cn3ccnc3C)nn2)n1 ZINC000225598142 464175735 /nfs/dbraw/zinc/17/57/35/464175735.db2.gz ALMATAAAARHONF-INIZCTEOSA-N 0 0 337.431 2.453 40 0 EEABRN O=S(=O)(CCCC(F)(F)F)Nc1cnn(Cc2ccccn2)c1 ZINC000225662488 464178151 /nfs/dbraw/zinc/17/81/51/464178151.db2.gz CIWCZUKBNKTYOF-UHFFFAOYSA-N 0 0 348.350 2.411 40 0 EEABRN O=S(=O)(CCC1CCOCC1)N1CCO[C@@H](c2cccs2)C1 ZINC000292510095 464257256 /nfs/dbraw/zinc/25/72/56/464257256.db2.gz TYYANEJALQJKLS-CQSZACIVSA-N 0 0 345.486 2.268 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC ZINC000242574893 464457600 /nfs/dbraw/zinc/45/76/00/464457600.db2.gz NIFZYICKKJILOA-GUTXKFCHSA-N 0 0 345.461 2.035 40 0 EEABRN C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 ZINC000245228326 464468815 /nfs/dbraw/zinc/46/88/15/464468815.db2.gz QFDSUNKHVMEJIT-NUEKZKHPSA-N 0 0 326.396 2.205 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000245344021 464470702 /nfs/dbraw/zinc/47/07/02/464470702.db2.gz WYQBKIOQHUYEQB-BEAPCOKYSA-N 0 0 347.463 2.034 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)c1nncn1C ZINC000182398311 464644198 /nfs/dbraw/zinc/64/41/98/464644198.db2.gz WPISLCMQVFTIRH-GXFFZTMASA-N 0 0 333.367 2.228 40 0 EEABRN O=C(c1cccs1)N1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000247792660 464706750 /nfs/dbraw/zinc/70/67/50/464706750.db2.gz ATQJJEZCNGUNBB-CYBMUJFWSA-N 0 0 344.440 2.271 40 0 EEABRN Cc1cnc([C@@H](C)CNC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000190714111 464706776 /nfs/dbraw/zinc/70/67/76/464706776.db2.gz UENUDIWMAKTBQH-LBPRGKRZSA-N 0 0 346.456 2.217 40 0 EEABRN O=C(C[C@@H]1CN(C2CCCC2)Cc2ccnn21)NCc1cccnc1 ZINC000247847027 464709035 /nfs/dbraw/zinc/70/90/35/464709035.db2.gz HGVJZIQIXAKTQY-GOSISDBHSA-N 0 0 339.443 2.284 40 0 EEABRN CO[C@H]1Cn2nccc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000247828269 464709426 /nfs/dbraw/zinc/70/94/26/464709426.db2.gz GLMILHHQVWUYMJ-GOSISDBHSA-N 0 0 325.412 2.045 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@H]3CCNc2ccccn2)no1 ZINC000247920002 464714545 /nfs/dbraw/zinc/71/45/45/464714545.db2.gz NRANNBXQGJWLKA-OAHLLOKOSA-N 0 0 328.416 2.471 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)C[C@H](OCC2CCCC2)CCO3)cn1 ZINC000248133811 464731666 /nfs/dbraw/zinc/73/16/66/464731666.db2.gz NYGNBZKLVOKXHU-MRXNPFEDSA-N 0 0 333.432 2.001 40 0 EEABRN Cc1noc(C)c1CN1CC2(C1)CC[C@H](CNC(=O)C(C)C)CO2 ZINC000248181655 464737389 /nfs/dbraw/zinc/73/73/89/464737389.db2.gz ZBDSGSDIYXHXLU-OAHLLOKOSA-N 0 0 335.448 2.045 40 0 EEABRN CC[C@@]1(CO)CCCN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000190982784 464756029 /nfs/dbraw/zinc/75/60/29/464756029.db2.gz PMULVWMMPNVFRC-SFHVURJKSA-N 0 0 344.415 2.226 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000248799257 464802600 /nfs/dbraw/zinc/80/26/00/464802600.db2.gz ZQJALDHZPZNJLH-CHWSQXEVSA-N 0 0 328.420 2.358 40 0 EEABRN C[C@@H]1CCN(C(=O)c2cc(F)cc3cccnc32)CCS1(=O)=O ZINC000192323438 464907010 /nfs/dbraw/zinc/90/70/10/464907010.db2.gz XHECZJYZBDHVDY-LLVKDONJSA-N 0 0 336.388 2.023 40 0 EEABRN Cn1cc([C@@H](O)C(=O)NCC(C)(C)c2ccc(F)cc2Cl)cn1 ZINC000252495523 464968471 /nfs/dbraw/zinc/96/84/71/464968471.db2.gz OSBICNAKOMHWIQ-CQSZACIVSA-N 0 0 339.798 2.340 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(COC)C(N)=S ZINC000252515083 464977605 /nfs/dbraw/zinc/97/76/05/464977605.db2.gz GYJOMULQFNGHQJ-SCRDCRAPSA-N 0 0 347.889 2.159 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514714 464978388 /nfs/dbraw/zinc/97/83/88/464978388.db2.gz CXRFJJSEEOVFIG-KSZLIROESA-N 0 0 349.427 2.499 40 0 EEABRN CC1CCN(C(=O)c2ccc(N3C[C@@H](C(N)=O)CC[C@H]3C)nc2)CC1 ZINC000252584982 464983656 /nfs/dbraw/zinc/98/36/56/464983656.db2.gz FGETUKXSVHCRCK-ZBFHGGJFSA-N 0 0 344.459 2.044 40 0 EEABRN CCn1cnc2c1ncnc2N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253415584 465004493 /nfs/dbraw/zinc/00/44/93/465004493.db2.gz ZUQRBQPYTOMNLZ-RISCZKNCSA-N 0 0 345.353 2.437 40 0 EEABRN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000253417697 465005980 /nfs/dbraw/zinc/00/59/80/465005980.db2.gz FSOOPDQLOSRSCO-HZPDHXFCSA-N 0 0 339.480 2.090 40 0 EEABRN Cc1cc(C(=O)CCC(=O)N2CCO[C@@H](c3ncon3)C2)c(C)s1 ZINC000253427210 465011601 /nfs/dbraw/zinc/01/16/01/465011601.db2.gz DOUADOMDENRFHI-CQSZACIVSA-N 0 0 349.412 2.311 40 0 EEABRN Cc1nc(COC[C@H]2CN(c3ncccn3)Cc3cncn32)cs1 ZINC000306126053 466489040 /nfs/dbraw/zinc/48/90/40/466489040.db2.gz DKSSZOLETZPFLL-OAHLLOKOSA-N 0 0 342.428 2.216 40 0 EEABRN CN(C)C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1cccnc1 ZINC000306132966 466490780 /nfs/dbraw/zinc/49/07/80/466490780.db2.gz LXSRWZXEBHLXGE-HNNXBMFYSA-N 0 0 333.432 2.403 40 0 EEABRN CC(C)Nc1ccn2nc3c(c2n1)CN(C(=O)c1cscn1)CC3 ZINC000306142054 466494830 /nfs/dbraw/zinc/49/48/30/466494830.db2.gz WNZXTGHJRZGLEY-UHFFFAOYSA-N 0 0 342.428 2.205 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@@H]2c3ccccc3S(=O)(=O)[C@@H]2C1 ZINC000306144868 466495695 /nfs/dbraw/zinc/49/56/95/466495695.db2.gz ZQXPZAHLORJWNR-SJLPKXTDSA-N 0 0 341.432 2.319 40 0 EEABRN CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594870 466681893 /nfs/dbraw/zinc/68/18/93/466681893.db2.gz POJWVYKENYUJLH-QGZVFWFLSA-N 0 0 346.452 2.101 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)COc3ccccc3F)C2)n1 ZINC000390828341 467412323 /nfs/dbraw/zinc/41/23/23/467412323.db2.gz QMTNKBQEEIBJTC-AWEZNQCLSA-N 0 0 345.374 2.291 40 0 EEABRN COc1cccc(CCC(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c1F ZINC000390833149 467413988 /nfs/dbraw/zinc/41/39/88/467413988.db2.gz CUMDCDLLSKTLHY-VXGBXAGGSA-N 0 0 327.421 2.135 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1)CO2 ZINC000575406545 468142418 /nfs/dbraw/zinc/14/24/18/468142418.db2.gz YVQMAUFRBFGIQL-HLLBOEOZSA-N 0 0 342.439 2.080 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)C4CC(F)C4)C3)C2)n1 ZINC000575406195 468142426 /nfs/dbraw/zinc/14/24/26/468142426.db2.gz VXGPJESQFBVBTD-VMBOVVBDSA-N 0 0 348.418 2.415 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406402 468142868 /nfs/dbraw/zinc/14/28/68/468142868.db2.gz OOCGKPQQCFHBBL-QSGXVVIFSA-N 0 0 330.428 2.118 40 0 EEABRN C[C@]1(NC(=S)Nc2ccc3ncccc3c2)CCS(=O)(=O)C1 ZINC000575422350 468143995 /nfs/dbraw/zinc/14/39/95/468143995.db2.gz BKDYBZKUYHJHFV-HNNXBMFYSA-N 0 0 335.454 2.098 40 0 EEABRN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2ncccn2)C1 ZINC000575605262 468145462 /nfs/dbraw/zinc/14/54/62/468145462.db2.gz INXXVHJKFGZWKZ-LLVKDONJSA-N 0 0 338.289 2.184 40 0 EEABRN O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1ccccc1Cl ZINC000575604986 468145508 /nfs/dbraw/zinc/14/55/08/468145508.db2.gz DYOHQSGGPVWTDX-SNVBAGLBSA-N 0 0 343.861 2.354 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(CN3CCCc4ccccc43)n2CC1 ZINC000601044877 468729921 /nfs/dbraw/zinc/72/99/21/468729921.db2.gz SCNGZJMZVRPKMB-OAHLLOKOSA-N 0 0 340.427 2.356 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C ZINC000585096881 468964432 /nfs/dbraw/zinc/96/44/32/468964432.db2.gz BWEBCBTYVSOXHG-AWEZNQCLSA-N 0 0 346.475 2.434 40 0 EEABRN Cc1nc(C(=O)N2Cc3ccnn3CC[C@@H]2COCC(C)C)c[nH]1 ZINC000585098353 468967459 /nfs/dbraw/zinc/96/74/59/468967459.db2.gz WOYUIFNDHKMKBH-OAHLLOKOSA-N 0 0 331.420 2.002 40 0 EEABRN CC1CCN(C(=O)[C@@H]2CN(Cc3ccoc3)Cc3ncn(C)c32)CC1 ZINC000585110853 468973449 /nfs/dbraw/zinc/97/34/49/468973449.db2.gz QKSFKEZAFZUQNF-MRXNPFEDSA-N 0 0 342.443 2.371 40 0 EEABRN O=C(CN1CCCCCC1=O)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000585124099 468983047 /nfs/dbraw/zinc/98/30/47/468983047.db2.gz WZQADMBFVJSERR-KRWDZBQOSA-N 0 0 344.390 2.157 40 0 EEABRN Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1 ZINC000585141944 468992237 /nfs/dbraw/zinc/99/22/37/468992237.db2.gz JLGGDLHMIUHVLB-IRXDYDNUSA-N 0 0 349.456 2.068 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275638 468999061 /nfs/dbraw/zinc/99/90/61/468999061.db2.gz FKMZXJABAHQNFU-ROUUACIJSA-N 0 0 327.428 2.176 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1Cc1ccccc1F ZINC000585276362 469000505 /nfs/dbraw/zinc/00/05/05/469000505.db2.gz IWUUUPKOOVIHNJ-IRXDYDNUSA-N 0 0 331.391 2.422 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cc(C)nc(=O)[nH]2)[C@H]1Cc1ccccc1 ZINC000585275781 469000661 /nfs/dbraw/zinc/00/06/61/469000661.db2.gz HDYHBIPDVGJEKJ-IRXDYDNUSA-N 0 0 341.411 2.353 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585277435 469001527 /nfs/dbraw/zinc/00/15/27/469001527.db2.gz UOYLWUSVYAQZAC-ROUUACIJSA-N 0 0 345.418 2.303 40 0 EEABRN Cc1ccc(C[C@@H]2CN(C(=O)CCc3ccno3)CC[C@H]2O)cc1 ZINC000585278488 469003074 /nfs/dbraw/zinc/00/30/74/469003074.db2.gz SVYNOTOVYYQFAW-SJLPKXTDSA-N 0 0 328.412 2.368 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585279167 469004088 /nfs/dbraw/zinc/00/40/88/469004088.db2.gz WNSJZYDSVSBJOU-RHSMWYFYSA-N 0 0 332.375 2.198 40 0 EEABRN CO[C@]1(COc2cccc(F)c2)CCN(C(=O)c2cccn2C)C1 ZINC000585279169 469004485 /nfs/dbraw/zinc/00/44/85/469004485.db2.gz WNSPNSYHFWIMJV-GOSISDBHSA-N 0 0 332.375 2.474 40 0 EEABRN CCOCC(=O)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585283813 469008448 /nfs/dbraw/zinc/00/84/48/469008448.db2.gz DYOVZLSDVYZOAR-DJSGYFEHSA-N 0 0 327.808 2.011 40 0 EEABRN CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccccc2C(F)(F)F)[C@@H]1OC ZINC000585287849 469009012 /nfs/dbraw/zinc/00/90/12/469009012.db2.gz FWUYGMNVVYNJSR-MCIONIFRSA-N 0 0 347.333 2.206 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000608223707 469787881 /nfs/dbraw/zinc/78/78/81/469787881.db2.gz HWXCFDYHMSAJJE-BZUAXINKSA-N 0 0 339.395 2.178 40 0 EEABRN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000680525809 485993511 /nfs/dbraw/zinc/99/35/11/485993511.db2.gz DDHVTMJLRGZCDA-MSOLQXFVSA-N 0 0 343.471 2.367 40 0 EEABRN CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257292805 500762726 /nfs/dbraw/zinc/76/27/26/500762726.db2.gz QNAAHANZGTVQEQ-CKEIUWERSA-N 0 0 333.359 2.432 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCOc2ccc(C)c(C)c2)cc1 ZINC000059417388 534042089 /nfs/dbraw/zinc/04/20/89/534042089.db2.gz GVZKBFIUMQPHDQ-UHFFFAOYSA-N 0 0 342.395 2.446 40 0 EEABRN Cc1cnc([C@@H](C)CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000184438837 534603437 /nfs/dbraw/zinc/60/34/37/534603437.db2.gz QKWSCOYTOFYLCF-AAEUAGOBSA-N 0 0 333.461 2.488 40 0 EEABRN COCCNc1ccccc1CNC(=O)NCc1c(C)noc1C ZINC000095417612 523964605 /nfs/dbraw/zinc/96/46/05/523964605.db2.gz XTURGBYWKQEGLC-UHFFFAOYSA-N 0 0 332.404 2.349 40 0 EEABRN CCCNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000408702054 528357489 /nfs/dbraw/zinc/35/74/89/528357489.db2.gz AKLDSKIGXIJUHG-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCN1C(=O)CCc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21 ZINC000257173698 535430188 /nfs/dbraw/zinc/43/01/88/535430188.db2.gz VHBUYLCNCIIACY-UHFFFAOYSA-N 0 0 348.424 2.399 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)ccn1 ZINC000257268750 536145621 /nfs/dbraw/zinc/14/56/21/536145621.db2.gz MMZZAUFFAVZLLS-HNNXBMFYSA-N 0 0 346.456 2.111 40 0 EEABRN CC[C@H](C)NC(=O)c1cc(C)nc(C2(C)CCN(C(C)=O)CC2)n1 ZINC000257247661 536168833 /nfs/dbraw/zinc/16/88/33/536168833.db2.gz IZZFDAXDJPSWSD-LBPRGKRZSA-N 0 0 332.448 2.213 40 0 EEABRN COc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cn1 ZINC000225926096 536755881 /nfs/dbraw/zinc/75/58/81/536755881.db2.gz UEZXEKQHEDUIOF-UHFFFAOYSA-N 0 0 329.400 2.212 40 0 EEABRN O=C(NCc1nc(C(F)(F)F)no1)N1CC(Cc2ccco2)C1 ZINC000896385722 684961755 /nfs/dbraw/zinc/96/17/55/684961755.db2.gz IJYMHKYEMXQSTM-UHFFFAOYSA-N 0 0 330.266 2.066 40 0 EEABRN O=C1NCC2(CCOCC2)[C@@H]1Nc1ncnc2c3ccccc3oc21 ZINC000884641607 1202345564 /nfs/dbraw/zinc/34/55/64/1202345564.db2.gz OJSCNAAQACWRRX-OAHLLOKOSA-N 0 0 338.367 2.083 40 0 EEABRN Cc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000049876260 214035640 /nfs/dbraw/zinc/03/56/40/214035640.db2.gz GVPYLECNCSZBCO-OAHLLOKOSA-N 0 0 346.452 2.493 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000187128192 529607272 /nfs/dbraw/zinc/60/72/72/529607272.db2.gz LRRWWWYTMMHNCP-AWEZNQCLSA-N 0 0 348.472 2.257 40 0 EEABRN CC[C@@H](NC(=O)Cc1ccon1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473766 529602825 /nfs/dbraw/zinc/60/28/25/529602825.db2.gz HFIDIVYWVYHBCN-QZTJIDSGSA-N 0 0 343.427 2.013 40 0 EEABRN O=C(Cc1csc(NC(=O)c2ncccn2)n1)NC1CCCCC1 ZINC000061969148 214690153 /nfs/dbraw/zinc/69/01/53/214690153.db2.gz LUIGEFFSEMHEPL-UHFFFAOYSA-N 0 0 345.428 2.177 40 0 EEABRN CCc1nn(C)c(CC)c1CC(=O)N1CCCC[C@@H]1c1ncon1 ZINC000187859382 529764699 /nfs/dbraw/zinc/76/46/99/529764699.db2.gz XDVVVOQJFGWMMW-OAHLLOKOSA-N 0 0 331.420 2.224 40 0 EEABRN CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)CC(=O)C[C@@]1(C)O ZINC000004416621 210191165 /nfs/dbraw/zinc/19/11/65/210191165.db2.gz MBDQYCYEBOCOMV-MZMPZRCHSA-N 0 0 336.384 2.081 40 0 EEABRN COC(=O)c1cc2ccccc2cc1OCC(=O)NC[C@@H]1CCCO1 ZINC000044865872 213653860 /nfs/dbraw/zinc/65/38/60/213653860.db2.gz KHOAZLGGZKOPRL-HNNXBMFYSA-N 0 0 343.379 2.300 40 0 EEABRN CNC(=O)OCc1c(COC(=O)NC)c(-c2ccco2)n2c1CCC2 ZINC000001609106 209766693 /nfs/dbraw/zinc/76/66/93/209766693.db2.gz ZNKBJMKZWJYBSA-UHFFFAOYSA-N 0 0 347.371 2.406 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000040025477 213252665 /nfs/dbraw/zinc/25/26/65/213252665.db2.gz UATZYBUCBQOHCN-BVBGJJFLSA-N 0 0 329.396 2.436 40 0 EEABRN O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1)c1ccccc1 ZINC000008300059 295880126 /nfs/dbraw/zinc/88/01/26/295880126.db2.gz ZVKDXEVIPXHYTJ-YOEHRIQHSA-N 0 0 349.390 2.042 40 0 biogenic,in-vitro EEABRN Nc1nnc(CCN2C(=O)S/C(=C\c3ccccc3)C2=O)s1 ZINC000001056883 209705145 /nfs/dbraw/zinc/70/51/45/209705145.db2.gz GVWLYZRHGZVKDL-NTMALXAHSA-N 0 0 332.410 2.399 40 0 EEABRN Cc1ccccc1OCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000038678589 213220615 /nfs/dbraw/zinc/22/06/15/213220615.db2.gz NVODRUUYLCVELR-JKSUJKDBSA-N 0 0 338.407 2.181 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(CCOCC(F)F)C2=O)c(C)c1 ZINC000189321774 236829454 /nfs/dbraw/zinc/82/94/54/236829454.db2.gz REMVVKBVAHKRPO-MRXNPFEDSA-N 0 0 326.343 2.352 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)c1ccsc1 ZINC000096473485 237063488 /nfs/dbraw/zinc/06/34/88/237063488.db2.gz CFQXNAIIXZRJRI-DGCLKSJQSA-N 0 0 349.460 2.424 40 0 EEABRN Cc1snnc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000072239907 216079026 /nfs/dbraw/zinc/07/90/26/216079026.db2.gz BTLNDSCULIMGJL-UHFFFAOYSA-N 0 0 336.848 2.458 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2c(C)nn(C)c2C)o1 ZINC000072241028 216079562 /nfs/dbraw/zinc/07/95/62/216079562.db2.gz NYJTUQONSBFDOR-AWEZNQCLSA-N 0 0 330.388 2.068 40 0 EEABRN COc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000072237911 216076695 /nfs/dbraw/zinc/07/66/95/216076695.db2.gz VGFYNYFMRUCJJJ-QZTJIDSGSA-N 0 0 340.379 2.232 40 0 EEABRN O=C(NCc1ccccc1-n1ccnc1)[C@H]1COc2ccccc2O1 ZINC000030862197 212713833 /nfs/dbraw/zinc/71/38/33/212713833.db2.gz GEDBVLYHSASPQM-GOSISDBHSA-N 0 0 335.363 2.329 40 0 EEABRN O=C(c1ccccn1)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000072326867 216152042 /nfs/dbraw/zinc/15/20/42/216152042.db2.gz NGPHVWPLRDZEFT-AFBRZQFHSA-N 0 0 348.406 2.115 40 0 EEABRN Cc1cc(C(=O)N[C@@H](Cn2c(=O)oc3ccccc32)C(C)C)on1 ZINC000072324359 216151232 /nfs/dbraw/zinc/15/12/32/216151232.db2.gz CGTSMGXKYOGZDM-LBPRGKRZSA-N 0 0 329.356 2.346 40 0 EEABRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccccn2)C3)CC1 ZINC000072335636 216156821 /nfs/dbraw/zinc/15/68/21/216156821.db2.gz HIPVAAAMVSMNGM-UHFFFAOYSA-N 0 0 339.443 2.372 40 0 EEABRN C[C@H]1CCCCN1C(=O)CN1c2ccccc2C2=NCCCN2C1=O ZINC000072335723 216158036 /nfs/dbraw/zinc/15/80/36/216158036.db2.gz ZFEJHZBWOJSXSD-AWEZNQCLSA-N 0 0 340.427 2.480 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072368766 216176535 /nfs/dbraw/zinc/17/65/35/216176535.db2.gz WJBRLQLJNAFRCD-AWEZNQCLSA-N 0 0 342.424 2.211 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000072382597 216183290 /nfs/dbraw/zinc/18/32/90/216183290.db2.gz RUQMXQYRBAENDM-ZDUSSCGKSA-N 0 0 336.403 2.031 40 0 EEABRN Cc1nc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387344 216186616 /nfs/dbraw/zinc/18/66/16/216186616.db2.gz ANPVMTVSSZZGQN-HNNXBMFYSA-N 0 0 342.447 2.223 40 0 EEABRN C[C@@H](NC(=O)CCn1ccccc1=O)c1cccc(-n2cccn2)c1 ZINC000074037520 216448205 /nfs/dbraw/zinc/44/82/05/216448205.db2.gz DUSSYRLJLACXRV-OAHLLOKOSA-N 0 0 336.395 2.302 40 0 EEABRN O=C(Nc1nc2c(s1)CN(C(=O)c1ccco1)CC2)[C@@H]1CCCO1 ZINC000075157893 216590194 /nfs/dbraw/zinc/59/01/94/216590194.db2.gz AVTKYUMGWRNFMN-NSHDSACASA-N 0 0 347.396 2.052 40 0 EEABRN O=C(Cc1ccccc1Cl)Nc1cc(N2CCOCC2)ncn1 ZINC000075166243 216594092 /nfs/dbraw/zinc/59/40/92/216594092.db2.gz PEFZLAOZCCZGTM-UHFFFAOYSA-N 0 0 332.791 2.148 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)nn1 ZINC000075172636 216596490 /nfs/dbraw/zinc/59/64/90/216596490.db2.gz PPMVWOJUSNZELF-UHFFFAOYSA-N 0 0 340.383 2.490 40 0 EEABRN Cc1ccc2c(c1)N(Cc1cnn([C@H]3CCS(=O)(=O)C3)c1)CC2 ZINC000195556553 241003486 /nfs/dbraw/zinc/00/34/86/241003486.db2.gz ASEACDJXNQOYMF-INIZCTEOSA-N 0 0 331.441 2.114 40 0 EEABRN CCS(=O)(=O)c1ccccc1NC[C@@H](C)N1CCOC[C@@H]1C ZINC000195576199 241022713 /nfs/dbraw/zinc/02/27/13/241022713.db2.gz YXGBXWQJNYMMHI-KGLIPLIRSA-N 0 0 326.462 2.001 40 0 EEABRN CCOC(=O)[C@H]1CCC(C)(C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000075629596 216647603 /nfs/dbraw/zinc/64/76/03/216647603.db2.gz KBTGDSPBENVRLB-CQSZACIVSA-N 0 0 325.430 2.490 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N(c1cccc(F)c1)C1CCCC1 ZINC000225580564 241935204 /nfs/dbraw/zinc/93/52/04/241935204.db2.gz SWISTYKBYBVGLF-LBPRGKRZSA-N 0 0 342.436 2.381 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2ccccc2OC)s1 ZINC000225583405 241936713 /nfs/dbraw/zinc/93/67/13/241936713.db2.gz FKSJVZUUVSCAJK-UHFFFAOYSA-N 0 0 339.398 2.064 40 0 EEABRN CCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000225979810 242083128 /nfs/dbraw/zinc/08/31/28/242083128.db2.gz SPJGDLXEFVBDFT-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN O=C(c1ncccn1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225734116 242009364 /nfs/dbraw/zinc/00/93/64/242009364.db2.gz KUFAHJJXKQVYBY-NSHDSACASA-N 0 0 338.289 2.184 40 0 EEABRN CC(C)C1CCC(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000225745495 242015501 /nfs/dbraw/zinc/01/55/01/242015501.db2.gz IULJILTWLSRTPE-NRXISQOPSA-N 0 0 330.494 2.277 40 0 EEABRN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000241946772 243008171 /nfs/dbraw/zinc/00/81/71/243008171.db2.gz UNVVRPHBUHGXFI-IXDOHACOSA-N 0 0 342.418 2.448 40 0 EEABRN CC(=O)N(CCN1CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000020791491 212171868 /nfs/dbraw/zinc/17/18/68/212171868.db2.gz HRUBGZMAOSUVOK-QKLQHJQFSA-N 0 0 349.519 2.237 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 ZINC000247871900 243468955 /nfs/dbraw/zinc/46/89/55/243468955.db2.gz RFPFOXWWSYEPFA-ZDUSSCGKSA-N 0 0 345.424 2.238 40 0 EEABRN O=C1[C@@H](Nc2ncncc2Br)CCCN1c1cccnc1 ZINC000253427196 243967954 /nfs/dbraw/zinc/96/79/54/243967954.db2.gz XINVMZYDDGSVBD-LBPRGKRZSA-N 0 0 348.204 2.242 40 0 EEABRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000077032177 216836180 /nfs/dbraw/zinc/83/61/80/216836180.db2.gz HCMBKFLKTBCNNU-KBPBESRZSA-N 0 0 349.383 2.394 40 0 EEABRN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2cccn2)nc1 ZINC000257212782 244155943 /nfs/dbraw/zinc/15/59/43/244155943.db2.gz CEYCYPVMDCGRLA-INIZCTEOSA-N 0 0 334.379 2.343 40 0 EEABRN Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000257224635 244193500 /nfs/dbraw/zinc/19/35/00/244193500.db2.gz FCQVMFBUHDXLPF-QZTJIDSGSA-N 0 0 327.380 2.317 40 0 EEABRN Cc1csc(Nc2nccnc2[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257228052 244206815 /nfs/dbraw/zinc/20/68/15/244206815.db2.gz FSCDGSIKKAYVKS-SNVBAGLBSA-N 0 0 339.446 2.082 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)n1 ZINC000257232193 244217428 /nfs/dbraw/zinc/21/74/28/244217428.db2.gz GJUGIBHWRPTOQQ-GOSISDBHSA-N 0 0 340.427 2.339 40 0 EEABRN CN1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1c1ccccc1 ZINC000257241663 244244972 /nfs/dbraw/zinc/24/49/72/244244972.db2.gz HYZXCPAVGTTYPQ-SFHVURJKSA-N 0 0 347.422 2.396 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2ccc(C)s2)n1 ZINC000257241519 244245289 /nfs/dbraw/zinc/24/52/89/244245289.db2.gz HYHWNELLJOOQRJ-CQSZACIVSA-N 0 0 344.440 2.460 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(Cc2ccsc2)C1 ZINC000257277861 244399289 /nfs/dbraw/zinc/39/92/89/244399289.db2.gz NZVNUQBIZSJDKB-GFCCVEGCSA-N 0 0 339.486 2.329 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@@H]2[C@H](N(C)c3cnccn3)CC[C@@H]2C1 ZINC000257293200 244440581 /nfs/dbraw/zinc/44/05/81/244440581.db2.gz QONGPTUSCRWKRE-QLFBSQMISA-N 0 0 341.415 2.068 40 0 EEABRN Cc1cccc(Nc2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1 ZINC000257298718 244459279 /nfs/dbraw/zinc/45/92/79/244459279.db2.gz RMZLSXAJEGURCC-CYBMUJFWSA-N 0 0 347.444 2.063 40 0 EEABRN CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000257310755 244490012 /nfs/dbraw/zinc/49/00/12/244490012.db2.gz UGKJPTDOCWLANS-GOSISDBHSA-N 0 0 340.431 2.385 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)[C@H]4CCCOC4)CC3)n2n1 ZINC000257317549 244508750 /nfs/dbraw/zinc/50/87/50/244508750.db2.gz VKFISPXTCNCRAM-HNNXBMFYSA-N 0 0 328.416 2.170 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)n1 ZINC000257319919 244516347 /nfs/dbraw/zinc/51/63/47/244516347.db2.gz VUPDFNVMTIMSRV-MRXNPFEDSA-N 0 0 339.399 2.127 40 0 EEABRN COCCCn1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)n1 ZINC000077513934 216925700 /nfs/dbraw/zinc/92/57/00/216925700.db2.gz ZZAHZRYMPYQFNF-HNNXBMFYSA-N 0 0 343.431 2.320 40 0 EEABRN CCn1ccc(C(=O)N2CCC[C@](C)(C(=O)NC3CCCC3)C2)n1 ZINC000019746655 212061606 /nfs/dbraw/zinc/06/16/06/212061606.db2.gz AULJPFZYCAGWPO-SFHVURJKSA-N 0 0 332.448 2.204 40 0 EEABRN COCc1nnc(NC(=O)c2cccc(Cn3cccn3)c2)s1 ZINC000019594517 212050475 /nfs/dbraw/zinc/05/04/75/212050475.db2.gz FSVMZPDAUSHDTF-UHFFFAOYSA-N 0 0 329.385 2.182 40 0 EEABRN CCN1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019527881 212040108 /nfs/dbraw/zinc/04/01/08/212040108.db2.gz YQAAMTZANNWVOS-UHFFFAOYSA-N 0 0 347.422 2.470 40 0 EEABRN Cc1ccn(-c2ccc(NCc3ccc(-n4cccn4)nc3)nn2)n1 ZINC000077908797 216995954 /nfs/dbraw/zinc/99/59/54/216995954.db2.gz DNDPJIPAWOVJRZ-UHFFFAOYSA-N 0 0 332.371 2.164 40 0 EEABRN O=C(CC1CCCC1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 ZINC000019341575 212017742 /nfs/dbraw/zinc/01/77/42/212017742.db2.gz GSETUSNWHWBGMD-INIZCTEOSA-N 0 0 340.431 2.306 40 0 EEABRN Cc1nc(CS(=O)(=O)c2nccn2-c2ccc(C)c(C)c2)no1 ZINC000078441954 217053412 /nfs/dbraw/zinc/05/34/12/217053412.db2.gz KZOYZZHECMFLIF-UHFFFAOYSA-N 0 0 332.385 2.154 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)SCc2nnnn2-c2ccccc2)on1 ZINC000078555646 217075332 /nfs/dbraw/zinc/07/53/32/217075332.db2.gz TZEVWZOPIHELTQ-NSHDSACASA-N 0 0 344.400 2.219 40 0 EEABRN C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000078986164 217165174 /nfs/dbraw/zinc/16/51/74/217165174.db2.gz HEQXWSGGZKQSNF-IUCAKERBSA-N 0 0 342.804 2.255 40 0 EEABRN CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016575268 211913828 /nfs/dbraw/zinc/91/38/28/211913828.db2.gz PMIFTOPOQSTGNF-UHFFFAOYSA-N 0 0 334.441 2.233 40 0 EEABRN O=C(COc1ccccc1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000078997841 217169770 /nfs/dbraw/zinc/16/97/70/217169770.db2.gz ORIKNRSAVOCLHH-HNNXBMFYSA-N 0 0 328.343 2.126 40 0 EEABRN CN(CCN(C)S(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1 ZINC000079354782 217214084 /nfs/dbraw/zinc/21/40/84/217214084.db2.gz MPSLGXOBKLKOCY-UHFFFAOYSA-N 0 0 344.440 2.320 40 0 EEABRN COc1cc(CNC(=O)N[C@@H](C)Cn2ccnc2)c2ccccc2n1 ZINC000080599750 217316120 /nfs/dbraw/zinc/31/61/20/217316120.db2.gz MZJCVJCHMBMVJV-ZDUSSCGKSA-N 0 0 339.399 2.328 40 0 EEABRN CC[C@@H](NC(=O)Cc1c(C)nn(C(F)F)c1C)c1nnc(C)[nH]1 ZINC000081847848 217451161 /nfs/dbraw/zinc/45/11/61/217451161.db2.gz XGUFFCUQOORTLN-LLVKDONJSA-N 0 0 326.351 2.132 40 0 EEABRN CCCc1nnc(SCC(=O)NC2CCCC2)n1CCOC ZINC000012471706 211390580 /nfs/dbraw/zinc/39/05/80/211390580.db2.gz PCIQMMJFQLQZQM-UHFFFAOYSA-N 0 0 326.466 2.028 40 0 EEABRN Cc1ncsc1C(=O)N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C ZINC000012183383 211312704 /nfs/dbraw/zinc/31/27/04/211312704.db2.gz OHVWDIZIOGYUOA-CQSZACIVSA-N 0 0 346.456 2.340 40 0 EEABRN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc(-c2cnccn2)n[nH]1 ZINC000012115808 211294835 /nfs/dbraw/zinc/29/48/35/211294835.db2.gz GILGLNSGBPZKFF-HNNXBMFYSA-N 0 0 349.398 2.308 40 0 EEABRN C[C@H](NC(=O)Cc1cccc(F)c1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114775 211294241 /nfs/dbraw/zinc/29/42/41/211294241.db2.gz OVLLWTZCIIHEDE-NSHDSACASA-N 0 0 325.347 2.426 40 0 EEABRN C[S@@](=O)CCNC(=O)Cn1c(-c2cccs2)cc2cccnc21 ZINC000012148116 211307481 /nfs/dbraw/zinc/30/74/81/211307481.db2.gz IRISXFOADXNKMX-QHCPKHFHSA-N 0 0 347.465 2.260 40 0 EEABRN COc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1 ZINC000012114333 211292275 /nfs/dbraw/zinc/29/22/75/211292275.db2.gz OXJUAISWHPGKNV-RTHVDDQRSA-N 0 0 341.411 2.084 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2cnc(-c3ccc(C)o3)s2)C[C@@H](C)O1 ZINC000092014101 218104444 /nfs/dbraw/zinc/10/44/44/218104444.db2.gz ZHPYIARNUZOUMJ-RISCZKNCSA-N 0 0 336.413 2.474 40 0 EEABRN Cn1nncc1CN1CCO[C@H](c2ccccc2Br)C1 ZINC000092592230 218152692 /nfs/dbraw/zinc/15/26/92/218152692.db2.gz XJOLXQUISMUACZ-AWEZNQCLSA-N 0 0 337.221 2.151 40 0 EEABRN CN1CC[C@H](NC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1=O ZINC000095399495 218333127 /nfs/dbraw/zinc/33/31/27/218333127.db2.gz OSICXIUAWZNHSK-USWWRNFRSA-N 0 0 342.226 2.379 40 0 EEABRN C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(Cn2ccccc2=O)c1 ZINC000095400308 218334562 /nfs/dbraw/zinc/33/45/62/218334562.db2.gz WVZSROJNBRCNAF-GJZGRUSLSA-N 0 0 343.427 2.425 40 0 EEABRN Cc1nc([C@H]2C[C@H]3CN(C(=O)c4ccc(C)nc4)CC[C@@H]3O2)no1 ZINC000096070580 218569573 /nfs/dbraw/zinc/56/95/73/218569573.db2.gz DEDOWDZAQATIOD-SOUVJXGZSA-N 0 0 328.372 2.074 40 0 EEABRN O=C(c1cscn1)N1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106971 218599651 /nfs/dbraw/zinc/59/96/51/218599651.db2.gz PKPWHJSIAWGIHD-ZDUSSCGKSA-N 0 0 345.424 2.381 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2cccc(Cl)c2)n1 ZINC000006636092 210665907 /nfs/dbraw/zinc/66/59/07/210665907.db2.gz ULHDILOTGIARJS-UHFFFAOYSA-N 0 0 338.824 2.253 40 0 EEABRN O=C(c1ccnnc1)N1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255364 218724624 /nfs/dbraw/zinc/72/46/24/218724624.db2.gz XSROJUGPPVMQFI-UHFFFAOYSA-N 0 0 331.379 2.175 40 0 EEABRN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096376115 218746747 /nfs/dbraw/zinc/74/67/47/218746747.db2.gz ARZINWXRDSSNHS-UHFFFAOYSA-N 0 0 349.408 2.367 40 0 EEABRN COc1ccccc1CCNC(=O)CN1C(=O)CCc2ccccc21 ZINC000096405385 218755648 /nfs/dbraw/zinc/75/56/48/218755648.db2.gz FSCGCFOYGDOJJH-UHFFFAOYSA-N 0 0 338.407 2.333 40 0 EEABRN O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCOC1 ZINC000096411384 218766732 /nfs/dbraw/zinc/76/67/32/218766732.db2.gz QDYMWBLRTARAMJ-ZDUSSCGKSA-N 0 0 349.374 2.445 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)c1 ZINC000096417751 218779966 /nfs/dbraw/zinc/77/99/66/218779966.db2.gz PVOSIXKTEPLIQL-LSDHHAIUSA-N 0 0 338.473 2.063 40 0 EEABRN O=S(=O)(c1ccccc1)c1ccc(OCCn2cncn2)cc1 ZINC000096424871 285048947 /nfs/dbraw/zinc/04/89/47/285048947.db2.gz XQOJFOARFYHKIW-UHFFFAOYSA-N 0 0 329.381 2.190 40 0 EEABRN C[C@@H](CCc1cccn1C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425747 218795629 /nfs/dbraw/zinc/79/56/29/218795629.db2.gz SETKHLHOFOHGRQ-HOCLYGCPSA-N 0 0 331.460 2.111 40 0 EEABRN Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)Cc1nccs1 ZINC000096445889 218827847 /nfs/dbraw/zinc/82/78/47/218827847.db2.gz NQNNDKHMCXNZPD-UHFFFAOYSA-N 0 0 329.389 2.091 40 0 EEABRN Cn1cc(C[C@@H]2CCN(c3nnc(-c4ccccn4)s3)C2)cn1 ZINC000096502981 218880399 /nfs/dbraw/zinc/88/03/99/218880399.db2.gz SDALSYQLWMKASL-LBPRGKRZSA-N 0 0 326.429 2.403 40 0 EEABRN O=C(Cn1c2ccccc2n(C[C@H]2CS2)c1=O)N1CCCCCC1 ZINC000004904794 210318544 /nfs/dbraw/zinc/31/85/44/210318544.db2.gz HMOCXMMCBDETKF-AWEZNQCLSA-N 0 0 345.468 2.321 40 0 EEABRN C[C@](O)(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000097236914 219002793 /nfs/dbraw/zinc/00/27/93/219002793.db2.gz ULOMEUGPDDOVQI-FQEVSTJZSA-N 0 0 340.423 2.339 40 0 EEABRN Cc1ccc(S(=O)(=O)Oc2c(CO)cc(Cl)cc2CO)cc1 ZINC000004866127 210306400 /nfs/dbraw/zinc/30/64/00/210306400.db2.gz VEHARCKEGPABCH-UHFFFAOYSA-N 0 0 342.800 2.401 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687751 256160775 /nfs/dbraw/zinc/16/07/75/256160775.db2.gz JDFPUWGFIUGYGR-HFBAOOFYSA-N 0 0 334.370 2.284 40 0 EEABRN Cc1nc(CO[C@H]2Cn3nccc3CN(c3ncccn3)C2)cs1 ZINC000306141410 257924983 /nfs/dbraw/zinc/92/49/83/257924983.db2.gz VVABHLCOXLTTKI-OAHLLOKOSA-N 0 0 342.428 2.044 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191559042 533249821 /nfs/dbraw/zinc/24/98/21/533249821.db2.gz ARKZRHJQXBLOEQ-ZFWWWQNUSA-N 0 0 345.443 2.035 40 0 EEABRN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(N(C)C)c2)C1 ZINC000191594058 533301448 /nfs/dbraw/zinc/30/14/48/533301448.db2.gz QNVCTOTYLSJREN-LSDHHAIUSA-N 0 0 330.388 2.046 40 0 EEABRN COc1cc(=O)n(Cc2ccn(C(C)C)n2)cc1Br ZINC000179547176 533484946 /nfs/dbraw/zinc/48/49/46/533484946.db2.gz CERRFXPAXQOTGP-UHFFFAOYSA-N 0 0 326.194 2.445 40 0 EEABRN Cc1cc2ncc(C(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000038829572 132396847 /nfs/dbraw/zinc/39/68/47/132396847.db2.gz RXLXCSSAJWTGFI-UHFFFAOYSA-N 0 0 335.411 2.309 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000004966152 135668394 /nfs/dbraw/zinc/66/83/94/135668394.db2.gz VLELUEMELHUTIO-CQSZACIVSA-N 0 0 339.399 2.290 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@@]3(COCC3CCOCC3)C2)nc1 ZINC000107712137 296634170 /nfs/dbraw/zinc/63/41/70/296634170.db2.gz PYWSDAKPJLJFSQ-HKUYNNGSSA-N 0 0 347.459 2.295 40 0 EEABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000248382199 160342604 /nfs/dbraw/zinc/34/26/04/160342604.db2.gz WETXLBIHLPAQAT-CYBMUJFWSA-N 0 0 348.424 2.391 40 0 EEABRN CCc1cnc(N2C[C@H]3OC[C@@H](COc4ccc(C)nc4)[C@H]3C2)nc1 ZINC000096218516 276683015 /nfs/dbraw/zinc/68/30/15/276683015.db2.gz UGDCXVVPPAWBIM-KBAYOESNSA-N 0 0 340.427 2.273 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000189009323 278023507 /nfs/dbraw/zinc/02/35/07/278023507.db2.gz QFIBEODKXJTJOV-LBPRGKRZSA-N 0 0 342.317 2.442 40 0 EEABRN CC(=O)[C@@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004278894 278232321 /nfs/dbraw/zinc/23/23/21/278232321.db2.gz YGAIATAVOPJRDO-CKYFFXLPSA-N 0 0 336.697 2.150 40 0 EEABRN CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000104077502 278509382 /nfs/dbraw/zinc/50/93/82/278509382.db2.gz IJKCBAOIEJHMCO-FZKCQIBNSA-N 0 0 338.407 2.165 40 0 EEABRN Cc1ccc(N2CC3(C2)OCC[C@H]3CCOc2ncccc2F)nn1 ZINC000247897726 278818201 /nfs/dbraw/zinc/81/82/01/278818201.db2.gz HPDBDEADJZQEPP-CQSZACIVSA-N 0 0 344.390 2.384 40 0 EEABRN CCOC(=O)[C@@]1(C)C(=O)C[C@@H]2c3nc4ccccc4cc3CN2C1=O ZINC000001729776 279604485 /nfs/dbraw/zinc/60/44/85/279604485.db2.gz OFUJHSIUARGGNL-KUHUBIRLSA-N 0 0 338.363 2.160 40 0 EEABRN CCn1cc(C(=O)N2CCCC[C@H]3CN(C(C)=O)CC[C@H]32)c(C)n1 ZINC000257288799 288695701 /nfs/dbraw/zinc/69/57/01/288695701.db2.gz PVSWHCBTMFNKEO-DOTOQJQBSA-N 0 0 332.448 2.075 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000096477116 289756706 /nfs/dbraw/zinc/75/67/06/289756706.db2.gz QFMLBKBVLLZQFB-YPMHNXCESA-N 0 0 341.337 2.139 40 0 EEABRN Cn1cnc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)n1 ZINC000294120731 293375126 /nfs/dbraw/zinc/37/51/26/293375126.db2.gz SSNWZLXNXUGIJB-UHFFFAOYSA-N 0 0 333.823 2.210 40 0 EEABRN Cn1nc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2c1=O ZINC000072339919 294523954 /nfs/dbraw/zinc/52/39/54/294523954.db2.gz BNOBZWXERPJKMI-UHFFFAOYSA-N 0 0 339.305 2.435 40 0 EEABRN Cn1nccc1C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012337421 294581767 /nfs/dbraw/zinc/58/17/67/294581767.db2.gz RPHQXSYLJUVWLU-AWEZNQCLSA-N 0 0 327.384 2.223 40 0 EEABRN C[C@H]1NC(=S)N(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000071888428 323319625 /nfs/dbraw/zinc/31/96/25/323319625.db2.gz CAQHSTOLSHQANS-NEPJUHHUSA-N 0 0 341.477 2.129 40 0 EEABRN O=C(C[C@@H]1COCCN1Cc1nnc(C2CC2)o1)c1cccs1 ZINC000154444873 323331410 /nfs/dbraw/zinc/33/14/10/323331410.db2.gz OYENJSUVXUJPNM-GFCCVEGCSA-N 0 0 333.413 2.482 40 0 EEABRN O=C(C[C@H]1COCCN1Cc1nnc(C2CC2)o1)c1cccs1 ZINC000154444977 323331425 /nfs/dbraw/zinc/33/14/25/323331425.db2.gz OYENJSUVXUJPNM-LBPRGKRZSA-N 0 0 333.413 2.482 40 0 EEABRN CCOCC[S@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000083954520 463568782 /nfs/dbraw/zinc/56/87/82/463568782.db2.gz ANQGCDPMXHRXCO-GOSISDBHSA-N 0 0 331.235 2.382 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000358692081 465268605 /nfs/dbraw/zinc/26/86/05/465268605.db2.gz ZOUJBCYRPSQCHJ-UHFFFAOYSA-N 0 0 328.368 2.349 40 0 EEABRN Cc1cc(C)n(-c2ccc(N3CCN(c4cnccc4C)CC3)nn2)n1 ZINC000329291218 465289676 /nfs/dbraw/zinc/28/96/76/465289676.db2.gz IRNHXCWPSJWSFG-UHFFFAOYSA-N 0 0 349.442 2.309 40 0 EEABRN Cc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(C)n1 ZINC000074064566 462550610 /nfs/dbraw/zinc/55/06/10/462550610.db2.gz VTUYSCNTTKNBPU-UHFFFAOYSA-N 0 0 343.349 2.229 40 0 EEABRN CC(C)N1CC[C@@H](NC(=O)Nc2cc(-c3ccccc3)on2)C1=O ZINC000085607034 462554839 /nfs/dbraw/zinc/55/48/39/462554839.db2.gz VYLHSWDWSIGRPZ-CYBMUJFWSA-N 0 0 328.372 2.472 40 0 EEABRN Cc1ccc(S(=O)(=O)n2oc(N)c(Cc3ccccc3)c2=O)cc1 ZINC000001690047 462585020 /nfs/dbraw/zinc/58/50/20/462585020.db2.gz QWXMMYDOJSUOJV-UHFFFAOYSA-N 0 0 344.392 2.160 40 0 EEABRN Cc1cc(C)cc(OCC(=O)OCCNC(=O)c2ccncc2)c1 ZINC000002679828 462599478 /nfs/dbraw/zinc/59/94/78/462599478.db2.gz QZNXMIWXLUUCSB-UHFFFAOYSA-N 0 0 328.368 2.050 40 0 EEABRN COC(=O)CCCN(C)C(=O)Cc1ccc(Br)s1 ZINC000074471056 462604781 /nfs/dbraw/zinc/60/47/81/462604781.db2.gz FEUCQKHCKHCFJQ-UHFFFAOYSA-N 0 0 334.235 2.465 40 0 EEABRN O=CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000062071676 462607889 /nfs/dbraw/zinc/60/78/89/462607889.db2.gz OIBBVUXHULZWJQ-UHFFFAOYSA-N 0 0 331.597 2.017 40 0 EEABRN C[C@H]1CN(c2ncc3c(=O)n(-c4cccc(F)c4)cc-3[nH]2)C[C@H](C)O1 ZINC000046087665 462646610 /nfs/dbraw/zinc/64/66/10/462646610.db2.gz GHDOPXRLPPXALW-RYUDHWBXSA-N 0 0 342.374 2.390 40 0 EEABRN O[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1 ZINC000005494832 462662154 /nfs/dbraw/zinc/66/21/54/462662154.db2.gz XEYVZLZWQFLSDZ-OXGONZEZSA-N 0 0 340.416 2.224 40 0 EEABRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCS(=O)(=O)CC1 ZINC000074990288 462662778 /nfs/dbraw/zinc/66/27/78/462662778.db2.gz PLVOCGNWHUJHNF-SNVBAGLBSA-N 0 0 341.820 2.181 40 0 EEABRN Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000006426601 462685477 /nfs/dbraw/zinc/68/54/77/462685477.db2.gz YBYVCJLRWNZVRA-UHFFFAOYSA-N 0 0 329.327 2.290 40 0 EEABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H]2C[C@@H]1C(=O)O2 ZINC000075162362 462689912 /nfs/dbraw/zinc/68/99/12/462689912.db2.gz VPLXFLMYQYXTEZ-BXKDBHETSA-N 0 0 332.743 2.443 40 0 EEABRN COc1cc(C)ccc1OCC(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166309 462691284 /nfs/dbraw/zinc/69/12/84/462691284.db2.gz QWGPFWRDMGRNMZ-UHFFFAOYSA-N 0 0 342.399 2.411 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)cs1 ZINC000006681007 462696665 /nfs/dbraw/zinc/69/66/65/462696665.db2.gz BKYYFFLGLHCLJJ-UHFFFAOYSA-N 0 0 338.454 2.319 40 0 EEABRN CCCNC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000006879420 462710779 /nfs/dbraw/zinc/71/07/79/462710779.db2.gz QBNREUAGCOQOMI-ZHACJKMWSA-N 0 0 348.424 2.298 40 0 EEABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc2c(c1)OCO2 ZINC000007601781 462741155 /nfs/dbraw/zinc/74/11/55/462741155.db2.gz DIHHDPYHNGMCSX-UHFFFAOYSA-N 0 0 327.369 2.475 40 0 EEABRN COc1ccc(N2C[C@H](C(=O)Oc3ccccc3C=O)CC2=O)cc1 ZINC000007928973 462758152 /nfs/dbraw/zinc/75/81/52/462758152.db2.gz HKCISWXKPAECLK-CQSZACIVSA-N 0 0 339.347 2.466 40 0 EEABRN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)s1 ZINC000008474026 462784779 /nfs/dbraw/zinc/78/47/79/462784779.db2.gz XRZXDPCUWVBNET-GFCCVEGCSA-N 0 0 330.413 2.455 40 0 EEABRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(C)n2)c1 ZINC000076143975 462814371 /nfs/dbraw/zinc/81/43/71/462814371.db2.gz VOKRQHCWGWJGLT-UHFFFAOYSA-N 0 0 348.790 2.067 40 0 EEABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccccc1 ZINC000013582780 462895521 /nfs/dbraw/zinc/89/55/21/462895521.db2.gz HRKCIZWELSMOLA-UHFFFAOYSA-N 0 0 348.424 2.021 40 0 EEABRN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014685912 462931700 /nfs/dbraw/zinc/93/17/00/462931700.db2.gz VMWOGNNCWBXOBW-AWEZNQCLSA-N 0 0 338.473 2.248 40 0 EEABRN Cc1nc2ncnn2c(N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)c1C ZINC000077225093 462955914 /nfs/dbraw/zinc/95/59/14/462955914.db2.gz QLHSZODQECPPCU-KBPBESRZSA-N 0 0 330.436 2.236 40 0 EEABRN COc1ccccc1-c1nn(C)cc1C(=O)OCCn1cccn1 ZINC000077651048 463016611 /nfs/dbraw/zinc/01/66/11/463016611.db2.gz YAWOMVCLCARMMI-UHFFFAOYSA-N 0 0 326.356 2.149 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H](c2ncc3c(n2)CCCC3=O)C1 ZINC000019700880 463020984 /nfs/dbraw/zinc/02/09/84/463020984.db2.gz QNSSQMSJLWHWQN-AWEZNQCLSA-N 0 0 336.395 2.410 40 0 EEABRN CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCOC)C1 ZINC000019702095 463021008 /nfs/dbraw/zinc/02/10/08/463021008.db2.gz WYWOVPYEPBIDDW-LLVKDONJSA-N 0 0 347.440 2.008 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[C@@H](C)C2)ccc1=O ZINC000077768644 463042842 /nfs/dbraw/zinc/04/28/42/463042842.db2.gz NMEQODKMLCOBRI-ZIAGYGMSSA-N 0 0 333.432 2.139 40 0 EEABRN O=S1(=O)CCN(c2cc(NCc3cccnc3)ccc2F)CC1 ZINC000095447455 463086736 /nfs/dbraw/zinc/08/67/36/463086736.db2.gz GLRQPWKABBONLT-UHFFFAOYSA-N 0 0 335.404 2.068 40 0 EEABRN CN(c1nc(N)c2ccccc2n1)C1CCN(c2ncccn2)CC1 ZINC000095449390 463086890 /nfs/dbraw/zinc/08/68/90/463086890.db2.gz JXIXFPXTWUCGDP-UHFFFAOYSA-N 0 0 335.415 2.107 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096039054 463143564 /nfs/dbraw/zinc/14/35/64/463143564.db2.gz MOXNTJFTORSHSJ-HOTGVXAUSA-N 0 0 343.420 2.032 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)c(OC)c1)C2 ZINC000096039239 463143972 /nfs/dbraw/zinc/14/39/72/463143972.db2.gz RUWVCQJOMROWDJ-SJLPKXTDSA-N 0 0 337.391 2.492 40 0 EEABRN O=C(c1cnccn1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC000096045853 463150485 /nfs/dbraw/zinc/15/04/85/463150485.db2.gz GWZYYKQOYVXNAX-TUKIKUTGSA-N 0 0 342.424 2.413 40 0 EEABRN O=C(c1ccsc1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048372 463151968 /nfs/dbraw/zinc/15/19/68/463151968.db2.gz SJZMVELGZCFRIL-RHSMWYFYSA-N 0 0 344.440 2.414 40 0 EEABRN Cc1nc(CN2C[C@]3(CCN(C(=O)c4ccoc4)C3)CC2=O)cs1 ZINC000096050923 463154795 /nfs/dbraw/zinc/15/47/95/463154795.db2.gz ATVHTZWECRCXEU-QGZVFWFLSA-N 0 0 345.424 2.309 40 0 EEABRN O=C(C1CCOCC1)N1CCc2c(COCC3CC3)cncc2C1 ZINC000096059322 463159902 /nfs/dbraw/zinc/15/99/02/463159902.db2.gz XEIKJPDXKMGRLR-UHFFFAOYSA-N 0 0 330.428 2.320 40 0 EEABRN Cc1ccc(N2C[C@]3(CC2=O)CCCCN3C(=O)c2ccoc2)nn1 ZINC000096071736 463166331 /nfs/dbraw/zinc/16/63/31/463166331.db2.gz IPIQCKXHXIZMQN-GOSISDBHSA-N 0 0 340.383 2.180 40 0 EEABRN CO[C@@]1(CNS(=O)(=O)Cc2cccc(Cl)c2)CCSC1 ZINC000096097674 463171867 /nfs/dbraw/zinc/17/18/67/463171867.db2.gz NUNAVFMUAJNTJQ-CYBMUJFWSA-N 0 0 335.878 2.282 40 0 EEABRN COc1ccc(C(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)cc1Cl ZINC000096107688 463175700 /nfs/dbraw/zinc/17/57/00/463175700.db2.gz WYOXYXFMLOLHAR-WBMJQRKESA-N 0 0 325.792 2.369 40 0 EEABRN COc1ccc(C[C@H]2CN(S(=O)(=O)C3CC3)CC[C@H]2OC)cc1 ZINC000096110274 463178128 /nfs/dbraw/zinc/17/81/28/463178128.db2.gz BVRSWNCLIZBPRN-WMLDXEAASA-N 0 0 339.457 2.067 40 0 EEABRN Cc1nc(CO[C@@H]2CO[C@@]3(CCN(C(=O)c4cocn4)C3)C2)cs1 ZINC000096110874 463179697 /nfs/dbraw/zinc/17/96/97/463179697.db2.gz SVQXUBYWUNMVQG-BBRMVZONSA-N 0 0 349.412 2.030 40 0 EEABRN Cc1cc(N2CCCC2)nc(CNC(=O)COc2ccccc2)n1 ZINC000096120769 463181321 /nfs/dbraw/zinc/18/13/21/463181321.db2.gz IZHZWRIZNDKJHL-UHFFFAOYSA-N 0 0 326.400 2.080 40 0 EEABRN CCN(C(=O)c1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000079033915 463181766 /nfs/dbraw/zinc/18/17/66/463181766.db2.gz BNKIKKRQPPJSRI-JTQLQIEISA-N 0 0 348.262 2.344 40 0 EEABRN C[C@@H]1CN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C[C@@H](C)O1 ZINC000096146877 463185932 /nfs/dbraw/zinc/18/59/32/463185932.db2.gz HMLMCPPBFZFTEL-GHMZBOCLSA-N 0 0 349.456 2.082 40 0 EEABRN O=C(c1ccc(F)cc1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159522 463190227 /nfs/dbraw/zinc/19/02/27/463190227.db2.gz MZUSXYUGQFXNFD-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN COc1c(Br)c(C(=O)Nc2ccc(C)cn2)nn1C ZINC000096181035 463193500 /nfs/dbraw/zinc/19/35/00/463193500.db2.gz JCEVKKJQGQROPE-UHFFFAOYSA-N 0 0 325.166 2.147 40 0 EEABRN Cc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000096181683 463194512 /nfs/dbraw/zinc/19/45/12/463194512.db2.gz LXHGINHYSKVTKQ-SJORKVTESA-N 0 0 343.358 2.066 40 0 EEABRN Cc1ccnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 ZINC000096181682 463194860 /nfs/dbraw/zinc/19/48/60/463194860.db2.gz LXHGINHYSKVTKQ-DLBZAZTESA-N 0 0 343.358 2.066 40 0 EEABRN Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)C1CCC1)C2 ZINC000096198032 463203170 /nfs/dbraw/zinc/20/31/70/463203170.db2.gz ZMCMGFWCKMHXNZ-OAHLLOKOSA-N 0 0 326.400 2.120 40 0 EEABRN Cn1cccc1C(=O)N1CCN(Cc2cccnc2)c2ncccc2C1 ZINC000096198945 463204835 /nfs/dbraw/zinc/20/48/35/463204835.db2.gz ZMTDDNYJASPUFI-UHFFFAOYSA-N 0 0 347.422 2.478 40 0 EEABRN Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@H]2C)cn1 ZINC000096201261 463206096 /nfs/dbraw/zinc/20/60/96/463206096.db2.gz QNXINUXCJLCRJP-CQSZACIVSA-N 0 0 336.399 2.048 40 0 EEABRN Cc1nc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096207108 463209806 /nfs/dbraw/zinc/20/98/06/463209806.db2.gz XJJUYZBOUQOTHX-AWEZNQCLSA-N 0 0 346.456 2.347 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096226617 463220830 /nfs/dbraw/zinc/22/08/30/463220830.db2.gz AHLKBJUPPJLFJO-INIZCTEOSA-N 0 0 349.460 2.014 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227460 463221795 /nfs/dbraw/zinc/22/17/95/463221795.db2.gz OROHAYKQVMGVRL-PXNSSMCTSA-N 0 0 341.455 2.469 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(Cc4nccn4C)C3)CC2=O)s1 ZINC000096239333 463224314 /nfs/dbraw/zinc/22/43/14/463224314.db2.gz IJUKBDIOJHKVSP-KRWDZBQOSA-N 0 0 330.457 2.419 40 0 EEABRN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2ncccc2c1 ZINC000028466557 463226721 /nfs/dbraw/zinc/22/67/21/463226721.db2.gz VRTLMSYMBROHFZ-MRXNPFEDSA-N 0 0 341.367 2.052 40 0 EEABRN Cn1cccc1C(=O)N1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255769 463228596 /nfs/dbraw/zinc/22/85/96/463228596.db2.gz ZYKICEMAWJURCN-UHFFFAOYSA-N 0 0 325.416 2.021 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]32)C(=O)N1C ZINC000096261406 463230852 /nfs/dbraw/zinc/23/08/52/463230852.db2.gz GSMZHOZEESGAJE-HNJNHCNJSA-N 0 0 344.390 2.329 40 0 EEABRN COCCn1c(C(=O)N2CCOCC2)cc2c1c1ccccc1n2C ZINC000096264140 463231617 /nfs/dbraw/zinc/23/16/17/463231617.db2.gz JNWXVWAEJQLEFN-UHFFFAOYSA-N 0 0 341.411 2.252 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1CC ZINC000096261606 463231659 /nfs/dbraw/zinc/23/16/59/463231659.db2.gz VMCZDSKFIKDZSO-QWQRMKEZSA-N 0 0 327.432 2.041 40 0 EEABRN O=C(Cn1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cn1)NC1CCCC1 ZINC000096402502 463238267 /nfs/dbraw/zinc/23/82/67/463238267.db2.gz FBRALUSQQWUSCG-WOSRLPQWSA-N 0 0 330.432 2.317 40 0 EEABRN COCc1ccccc1CNC(=O)NCC[S@](=O)c1ccccc1 ZINC000096408750 463241491 /nfs/dbraw/zinc/24/14/91/463241491.db2.gz OEOKUVBZJQLSEO-XMMPIXPASA-N 0 0 346.452 2.440 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC000096409325 463242573 /nfs/dbraw/zinc/24/25/73/463242573.db2.gz LDZNTIIEBGGOSC-MRXNPFEDSA-N 0 0 343.402 2.232 40 0 EEABRN C[C@@H](C(=O)Nc1ccc2nc[nH]c(=O)c2c1)N1CCc2ccccc2C1 ZINC000096412363 463244844 /nfs/dbraw/zinc/24/48/44/463244844.db2.gz GGFPDXIKFYMQCG-ZDUSSCGKSA-N 0 0 348.406 2.308 40 0 EEABRN Cn1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1=O ZINC000096417231 463249430 /nfs/dbraw/zinc/24/94/30/463249430.db2.gz JGHDKONVKPHCAE-CQSZACIVSA-N 0 0 345.374 2.368 40 0 EEABRN O=C(CCc1nc(C2CC2)no1)NCc1ccccc1-n1ccnc1 ZINC000096417839 463250568 /nfs/dbraw/zinc/25/05/68/463250568.db2.gz NYIPLCGWCVESAL-UHFFFAOYSA-N 0 0 337.383 2.382 40 0 EEABRN CC[C@@H](NC(=O)COCc1nc(C)no1)c1cc(F)ccc1F ZINC000096419004 463250865 /nfs/dbraw/zinc/25/08/65/463250865.db2.gz BWTUIOSQWZDWAY-CYBMUJFWSA-N 0 0 325.315 2.440 40 0 EEABRN Clc1cccc(N2CCN(CCOC[C@@H]3CCCO3)CC2)n1 ZINC000096421070 463251411 /nfs/dbraw/zinc/25/14/11/463251411.db2.gz MMWAAUPTIDPBTM-AWEZNQCLSA-N 0 0 325.840 2.053 40 0 EEABRN Cn1c(CSCCOC2CCCCCC2)cc(=O)n(C)c1=O ZINC000096419811 463251735 /nfs/dbraw/zinc/25/17/35/463251735.db2.gz ZUPRQMAOCCEIEK-UHFFFAOYSA-N 0 0 326.462 2.057 40 0 EEABRN O=C(c1cc2cccc(F)c2o1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096426429 463256230 /nfs/dbraw/zinc/25/62/30/463256230.db2.gz PIWRRQVXBVAVLU-AWEZNQCLSA-N 0 0 346.358 2.035 40 0 EEABRN OC[C@H](Cc1c[nH]c2ccccc12)Nc1cncc(-n2cccn2)n1 ZINC000096429841 463258853 /nfs/dbraw/zinc/25/88/53/463258853.db2.gz XUUMSPBXROATOK-AWEZNQCLSA-N 0 0 334.383 2.159 40 0 EEABRN COc1c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(C)nn1C ZINC000096432899 463260913 /nfs/dbraw/zinc/26/09/13/463260913.db2.gz NGIQELDOULZSSA-HZPDHXFCSA-N 0 0 343.427 2.465 40 0 EEABRN CC1(C)CCN(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)C1 ZINC000096434308 463262057 /nfs/dbraw/zinc/26/20/57/463262057.db2.gz MACHKEZJEPAVLU-MRXNPFEDSA-N 0 0 344.459 2.400 40 0 EEABRN Cn1ccnc1CNC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000096435219 463263271 /nfs/dbraw/zinc/26/32/71/463263271.db2.gz UFWBGUJGNXUMHS-UHFFFAOYSA-N 0 0 331.445 2.295 40 0 EEABRN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 ZINC000096437734 463265911 /nfs/dbraw/zinc/26/59/11/463265911.db2.gz BWMYTDXFCGRNRC-VXGBXAGGSA-N 0 0 329.404 2.500 40 0 EEABRN CC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000096451366 463273127 /nfs/dbraw/zinc/27/31/27/463273127.db2.gz YSKCQDKQQGMFGL-CQSZACIVSA-N 0 0 330.475 2.309 40 0 EEABRN CNC(=O)Cc1noc(C[S@@](=O)c2cc(C(C)(C)C)ccc2C)n1 ZINC000096455432 463275688 /nfs/dbraw/zinc/27/56/88/463275688.db2.gz NNEWFKOYCZBXER-DEOSSOPVSA-N 0 0 349.456 2.272 40 0 EEABRN Cc1ccccc1CCCN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000096470192 463278964 /nfs/dbraw/zinc/27/89/64/463278964.db2.gz HEGKUDISNKXIMH-KRWDZBQOSA-N 0 0 325.412 2.279 40 0 EEABRN O=C(CCn1cccn1)NCCOc1ncc(Cl)cc1Cl ZINC000096475293 463279679 /nfs/dbraw/zinc/27/96/79/463279679.db2.gz QLTDAHNTOVELCD-UHFFFAOYSA-N 0 0 329.187 2.170 40 0 EEABRN C[C@H](NCc1nc(CS(C)(=O)=O)no1)c1ccc(F)c(Cl)c1 ZINC000096491157 463286362 /nfs/dbraw/zinc/28/63/62/463286362.db2.gz RYYHYMXMOYMOBJ-QMMMGPOBSA-N 0 0 347.799 2.258 40 0 EEABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000096496862 463290304 /nfs/dbraw/zinc/29/03/04/463290304.db2.gz YBGSRLRKNPVZMN-LBPRGKRZSA-N 0 0 340.836 2.032 40 0 EEABRN C[C@@H](c1ccsc1)N1CCN(C(=O)NCCc2nccn2C)CC1 ZINC000096503170 463293220 /nfs/dbraw/zinc/29/32/20/463293220.db2.gz MVHKOOXHWHXKAK-AWEZNQCLSA-N 0 0 347.488 2.113 40 0 EEABRN CC[C@@](Br)([C@H](O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096521658 463294119 /nfs/dbraw/zinc/29/41/19/463294119.db2.gz ISWCIHQDNREOHT-NEPJUHHUSA-N 0 0 336.251 2.238 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(N)cc1 ZINC000096518191 463294256 /nfs/dbraw/zinc/29/42/56/463294256.db2.gz CHBCLTPOCXZVNN-SNVBAGLBSA-N 0 0 340.626 2.174 40 0 EEABRN CC[C@@](Br)([C@H](O)c1cccc(F)c1)S(C)(=O)=O ZINC000096521542 463294286 /nfs/dbraw/zinc/29/42/86/463294286.db2.gz MLVOHIHDOPNVBR-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN CCc1ccc(C(C)(C)CNS(=O)(=O)C[C@@H]2CCOC2)cc1 ZINC000080283719 463305028 /nfs/dbraw/zinc/30/50/28/463305028.db2.gz LAQXHXHCGZFOIO-OAHLLOKOSA-N 0 0 325.474 2.483 40 0 EEABRN Cc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1C ZINC000030852563 463313507 /nfs/dbraw/zinc/31/35/07/463313507.db2.gz LPYXHECAWWZWPJ-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN COc1ccc([C@@H](NC(=O)N2CCC[C@@H]2CO)C(F)(F)F)cc1 ZINC000097100233 463323806 /nfs/dbraw/zinc/32/38/06/463323806.db2.gz QFCFQKYRPWCKER-DGCLKSJQSA-N 0 0 332.322 2.465 40 0 EEABRN CSc1nnc(C)n1NC(=O)c1ccccc1Br ZINC000033720420 463423390 /nfs/dbraw/zinc/42/33/90/463423390.db2.gz HSWCMEGUAXCNLE-UHFFFAOYSA-N 0 0 327.207 2.455 40 0 EEABRN CCOC(=O)COc1c(Br)cc(CO)cc1OCC ZINC000034772907 463428892 /nfs/dbraw/zinc/42/88/92/463428892.db2.gz XRCTZCRXONRADR-UHFFFAOYSA-N 0 0 333.178 2.282 40 0 EEABRN CCOC(=O)Cc1nc(CNc2ccc(Br)cc2)n[nH]1 ZINC000040175867 463454502 /nfs/dbraw/zinc/45/45/02/463454502.db2.gz KSQFEYWIGVBYLM-UHFFFAOYSA-N 0 0 339.193 2.285 40 0 EEABRN COc1ccc(OC)c([C@@H](C)Nc2ncnc3c2NC(=O)CN3)c1 ZINC000041121488 463468087 /nfs/dbraw/zinc/46/80/87/463468087.db2.gz OBEBRFNRQARCDF-SECBINFHSA-N 0 0 329.360 2.031 40 0 EEABRN O=C1CC[C@H]2[C@H](CCN2Cc2nccs2)N1CC1CCOCC1 ZINC000107205646 463560831 /nfs/dbraw/zinc/56/08/31/463560831.db2.gz NPDRZRHZTXLRBE-GJZGRUSLSA-N 0 0 335.473 2.135 40 0 EEABRN CCCCNC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000042744707 463593294 /nfs/dbraw/zinc/59/32/94/463593294.db2.gz HUYISHJQGFWEQA-UHFFFAOYSA-N 0 0 348.443 2.472 40 0 EEABRN O=C(NC[C@@H](O)C1CCOCC1)c1ccc2ccc(Cl)cc2n1 ZINC000084404082 463601176 /nfs/dbraw/zinc/60/11/76/463601176.db2.gz CFIOBMJUOZFQMB-MRXNPFEDSA-N 0 0 334.803 2.406 40 0 EEABRN COC(=O)c1c2c(sc1NC(=O)CCNC(C)=O)CCCCC2 ZINC000059253643 463640878 /nfs/dbraw/zinc/64/08/78/463640878.db2.gz CIHYZJFHUWVAIP-UHFFFAOYSA-N 0 0 338.429 2.268 40 0 EEABRN CCOc1ccc(C(=O)N2CCN(C)CC2)cc1Br ZINC000059843514 463645657 /nfs/dbraw/zinc/64/56/57/463645657.db2.gz CRWTVHXRCSPKBH-UHFFFAOYSA-N 0 0 327.222 2.235 40 0 EEABRN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC[C@H]3CCCO3)c12 ZINC000044896570 463699644 /nfs/dbraw/zinc/69/96/44/463699644.db2.gz GWXKYNPHOITPGG-GFCCVEGCSA-N 0 0 340.383 2.446 40 0 EEABRN O=C(Cn1nnc2ccccc21)N1CCC(Cc2ccncc2)CC1 ZINC000257279908 463760071 /nfs/dbraw/zinc/76/00/71/463760071.db2.gz OIQXKRWXQCCWKR-UHFFFAOYSA-N 0 0 335.411 2.308 40 0 EEABRN Nc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)cc2ccnn21 ZINC000257287410 463763042 /nfs/dbraw/zinc/76/30/42/463763042.db2.gz PPWJTRSPJNRZLZ-GFCCVEGCSA-N 0 0 339.374 2.470 40 0 EEABRN CCn1cc(C(=O)N2CCCC[C@@H]3CN(C(C)=O)CC[C@H]32)c(C)n1 ZINC000257288800 463763666 /nfs/dbraw/zinc/76/36/66/463763666.db2.gz PVSWHCBTMFNKEO-NVXWUHKLSA-N 0 0 332.448 2.075 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 ZINC000257289757 463764563 /nfs/dbraw/zinc/76/45/63/463764563.db2.gz QABRQKOXKYRHBQ-AWEZNQCLSA-N 0 0 348.410 2.357 40 0 EEABRN c1ccc(N2CCN(Cc3cnc([C@@H]4CCCCO4)nc3)CC2)nc1 ZINC000257306044 463770657 /nfs/dbraw/zinc/77/06/57/463770657.db2.gz SSQULAVLHYHVRL-KRWDZBQOSA-N 0 0 339.443 2.435 40 0 EEABRN O=C(N1CCC(CO)CC1)C1(Cc2ccccc2F)CCOCC1 ZINC000257319676 463776777 /nfs/dbraw/zinc/77/67/77/463776777.db2.gz VTOOOXFGOXXHFH-UHFFFAOYSA-N 0 0 335.419 2.396 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3nc(C)cn3C)C2)n1 ZINC000257327488 463779470 /nfs/dbraw/zinc/77/94/70/463779470.db2.gz XBNUFOSVQQLUFB-INIZCTEOSA-N 0 0 329.448 2.338 40 0 EEABRN O=C(COc1ccccc1Cl)N1CCC2(CC1)OCCC[C@H]2O ZINC000257329139 463779963 /nfs/dbraw/zinc/77/99/63/463779963.db2.gz XIRYHGLQIONTPS-OAHLLOKOSA-N 0 0 339.819 2.251 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2[nH]cnc2C)CCN1C(C)=O ZINC000257333207 463781692 /nfs/dbraw/zinc/78/16/92/463781692.db2.gz YAQKBJCOYAUDBB-KRWDZBQOSA-N 0 0 328.416 2.132 40 0 EEABRN C[C@]1(c2ncc(CNC(=O)CCCn3cccn3)cn2)CCCCO1 ZINC000257335053 463782473 /nfs/dbraw/zinc/78/24/73/463782473.db2.gz YIMZPDDFVIADLX-GOSISDBHSA-N 0 0 343.431 2.185 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)ccn1 ZINC000257334013 463782554 /nfs/dbraw/zinc/78/25/54/463782554.db2.gz YEDKMVKVAZRYLH-INIZCTEOSA-N 0 0 327.432 2.462 40 0 EEABRN CN(C(=O)Cc1ccsc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257333883 463783031 /nfs/dbraw/zinc/78/30/31/463783031.db2.gz YDMWVTRZDCXPGI-BFYDXBDKSA-N 0 0 333.457 2.490 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)n1 ZINC000257339003 463784624 /nfs/dbraw/zinc/78/46/24/463784624.db2.gz YZVBNLKWVGPASD-INIZCTEOSA-N 0 0 327.432 2.325 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260892738 463791855 /nfs/dbraw/zinc/79/18/55/463791855.db2.gz FHMFTZLYUKHNJO-UONOGXRCSA-N 0 0 326.462 2.310 40 0 EEABRN COC[C@H](NC(=O)NCCc1ccnn1C)c1ccc(Cl)cc1 ZINC000194564318 463885154 /nfs/dbraw/zinc/88/51/54/463885154.db2.gz NUABLURGVNGPJY-HNNXBMFYSA-N 0 0 336.823 2.303 40 0 EEABRN CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(COC)c1 ZINC000185954789 463911656 /nfs/dbraw/zinc/91/16/56/463911656.db2.gz KZQPFAWYYGSZPY-HNNXBMFYSA-N 0 0 325.430 2.355 40 0 EEABRN COC(=O)CCCn1c(=O)oc2cc(Br)c(F)cc21 ZINC000278377837 463962885 /nfs/dbraw/zinc/96/28/85/463962885.db2.gz QGQPHKVBMRPJPV-UHFFFAOYSA-N 0 0 332.125 2.449 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000186503215 464012707 /nfs/dbraw/zinc/01/27/07/464012707.db2.gz HZBASPOOVJYWNS-MRXNPFEDSA-N 0 0 336.407 2.386 40 0 EEABRN CC(C)n1ccc(CS(=O)(=O)c2n[nH]c(Cc3ccccc3)n2)n1 ZINC000195287551 464032576 /nfs/dbraw/zinc/03/25/76/464032576.db2.gz CDYRRMMAYKUEEK-UHFFFAOYSA-N 0 0 345.428 2.147 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)c1cc(N2CCOCC2)on1 ZINC000224077068 464148472 /nfs/dbraw/zinc/14/84/72/464148472.db2.gz XRFJBMLTUSGPBO-UHFFFAOYSA-N 0 0 337.763 2.426 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(Cl)cc2)n1 ZINC000224176948 464148845 /nfs/dbraw/zinc/14/88/45/464148845.db2.gz MBLFZDVENNCITH-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN CS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl ZINC000224624450 464150912 /nfs/dbraw/zinc/15/09/12/464150912.db2.gz GYJHIYRCHPZUOD-UHFFFAOYSA-N 0 0 344.864 2.160 40 0 EEABRN Cc1nc(NC(=O)c2cnc(OCC3CC3)cn2)cc(C2CC2)n1 ZINC000225461937 464162633 /nfs/dbraw/zinc/16/26/33/464162633.db2.gz SBUBKVJUMVZUTB-UHFFFAOYSA-N 0 0 325.372 2.494 40 0 EEABRN Nc1ncnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480512 464163965 /nfs/dbraw/zinc/16/39/65/464163965.db2.gz YLOFFABJZMIYHG-LBPRGKRZSA-N 0 0 345.834 2.359 40 0 EEABRN COC(=O)c1nn(C[C@@H](O)CC(F)(F)F)c(C)c1Br ZINC000225546188 464171120 /nfs/dbraw/zinc/17/11/20/464171120.db2.gz CLNJAKYVIGQSDW-LURJTMIESA-N 0 0 345.115 2.054 40 0 EEABRN O=C(NCCCNS(=O)(=O)c1ccccc1Cl)C1CC=CC1 ZINC000225593823 464175691 /nfs/dbraw/zinc/17/56/91/464175691.db2.gz SKUXKTPGTCCPAC-UHFFFAOYSA-N 0 0 342.848 2.091 40 0 EEABRN Cn1nc([C@H]2CCCN2Cc2csc(-c3ccoc3)n2)nc1N ZINC000284390892 464175928 /nfs/dbraw/zinc/17/59/28/464175928.db2.gz VTAFJKFKKKBWPY-GFCCVEGCSA-N 0 0 330.417 2.451 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCc3ccco3)cc2sc1=O ZINC000225688329 464179861 /nfs/dbraw/zinc/17/98/61/464179861.db2.gz BYMNVFAUAGCRAC-UHFFFAOYSA-N 0 0 338.410 2.154 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)N[C@H]1CCCC12CCOCC2 ZINC000225694167 464180204 /nfs/dbraw/zinc/18/02/04/464180204.db2.gz RBSVPMJSHMJYKQ-HOTGVXAUSA-N 0 0 340.464 2.078 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000225878178 464182226 /nfs/dbraw/zinc/18/22/26/464182226.db2.gz AMDUYHAHYWHRBH-CHWSQXEVSA-N 0 0 348.520 2.475 40 0 EEABRN COCc1cc(NC(=O)NCc2ccc(Br)o2)ncn1 ZINC000188476134 464290588 /nfs/dbraw/zinc/29/05/88/464290588.db2.gz HNKBDHMNJXHWOL-UHFFFAOYSA-N 0 0 341.165 2.300 40 0 EEABRN CCOc1ccc(NC(=O)C2CCN(CC(F)F)CC2)cc1CO ZINC000281299345 464405134 /nfs/dbraw/zinc/40/51/34/464405134.db2.gz RFRROKHPYIKXHV-UHFFFAOYSA-N 0 0 342.386 2.493 40 0 EEABRN O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)C1(c2cccs2)CCCC1 ZINC000238886765 464440137 /nfs/dbraw/zinc/44/01/37/464440137.db2.gz QDDJJALVHAHEFT-CYBMUJFWSA-N 0 0 343.452 2.317 40 0 EEABRN O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)C1(c2cccs2)CCCC1 ZINC000238886766 464440413 /nfs/dbraw/zinc/44/04/13/464440413.db2.gz QDDJJALVHAHEFT-ZDUSSCGKSA-N 0 0 343.452 2.317 40 0 EEABRN COC[C@H]1CN(C(=O)[C@@](C)(O)CCc2ccccc2)CC(C)(C)O1 ZINC000285081774 464448464 /nfs/dbraw/zinc/44/84/64/464448464.db2.gz PSJIQJTYHRSVMF-APWZRJJASA-N 0 0 335.444 2.023 40 0 EEABRN Cc1ccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)s1 ZINC000241121776 464448910 /nfs/dbraw/zinc/44/89/10/464448910.db2.gz JDUPVCUEKMKUJN-UHFFFAOYSA-N 0 0 342.486 2.087 40 0 EEABRN Cn1cnc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1 ZINC000241287466 464451771 /nfs/dbraw/zinc/45/17/71/464451771.db2.gz LLPGEDJODNSCBW-OAHLLOKOSA-N 0 0 329.791 2.326 40 0 EEABRN C[C@@H]1CCN(C(=O)CN2CCCC[C@H]2C(N)=O)c2ccccc2S1 ZINC000241439918 464451938 /nfs/dbraw/zinc/45/19/38/464451938.db2.gz NNLSIDDHAPQUNQ-HIFRSBDPSA-N 0 0 347.484 2.244 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)NC(C)C)CC2)cc1OC ZINC000243405261 464459137 /nfs/dbraw/zinc/45/91/37/464459137.db2.gz MPJWOWAEMKAJMI-UHFFFAOYSA-N 0 0 334.416 2.081 40 0 EEABRN O=C(Cc1ccccc1Br)N1CC[C@H](c2ncon2)C1 ZINC000244969143 464466781 /nfs/dbraw/zinc/46/67/81/464466781.db2.gz HAFGGHVHCVKJEW-NSHDSACASA-N 0 0 336.189 2.391 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)C1CCC1 ZINC000247476716 464683119 /nfs/dbraw/zinc/68/31/19/464683119.db2.gz HJFOVFNDOGDSES-INIZCTEOSA-N 0 0 328.416 2.339 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 ZINC000247802688 464707657 /nfs/dbraw/zinc/70/76/57/464707657.db2.gz GWAMCNSOKCUQBX-INIZCTEOSA-N 0 0 327.428 2.467 40 0 EEABRN COCC[C@@H]1CCOC12CN(C(=O)CC1Cc3ccccc3C1)C2 ZINC000247819478 464708458 /nfs/dbraw/zinc/70/84/58/464708458.db2.gz CMOKGGLJRGDRIN-GOSISDBHSA-N 0 0 329.440 2.446 40 0 EEABRN C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1CCOCc1ccccc1 ZINC000247965810 464717914 /nfs/dbraw/zinc/71/79/14/464717914.db2.gz GIVIQIUDIZGKFG-HNNXBMFYSA-N 0 0 342.443 2.178 40 0 EEABRN CN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccccn1)C2 ZINC000248082743 464728496 /nfs/dbraw/zinc/72/84/96/464728496.db2.gz ASIFRAFNVDZTOA-INIZCTEOSA-N 0 0 329.444 2.045 40 0 EEABRN Cc1nc(CO[C@H]2CCOC3(CN(Cc4cnn(C)c4)C3)C2)cs1 ZINC000248116797 464730550 /nfs/dbraw/zinc/73/05/50/464730550.db2.gz IXJJBXXDMPNMKO-INIZCTEOSA-N 0 0 348.472 2.135 40 0 EEABRN Cn1cccc1C(=O)NCC[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21 ZINC000248109374 464730883 /nfs/dbraw/zinc/73/08/83/464730883.db2.gz GRUFPHKSKWCWSD-INIZCTEOSA-N 0 0 341.459 2.199 40 0 EEABRN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000248114264 464731150 /nfs/dbraw/zinc/73/11/50/464731150.db2.gz IGUXWLSZBCNQJC-RYQLBKOJSA-N 0 0 342.418 2.448 40 0 EEABRN Cc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128561 464732835 /nfs/dbraw/zinc/73/28/35/464732835.db2.gz XQUNVHVWEAFETH-WMLDXEAASA-N 0 0 332.425 2.093 40 0 EEABRN C[C@@H]1C(=O)N(C[C@@H](O)c2ccc(F)c(Br)c2)C(=O)[C@H]1C ZINC000248429340 464750475 /nfs/dbraw/zinc/75/04/75/464750475.db2.gz TVOPWIZXMDDQNF-YVZVNANGSA-N 0 0 344.180 2.263 40 0 EEABRN COC(=O)C1CCC(Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000192447457 464927772 /nfs/dbraw/zinc/92/77/72/464927772.db2.gz PJROQNXMTLEWQQ-BBBYJDLNSA-N 0 0 344.411 2.036 40 0 EEABRN C[C@@H](CNC(=O)NCCC1(O)CCC1)c1nc(-c2ccccc2)no1 ZINC000252487051 464963233 /nfs/dbraw/zinc/96/32/33/464963233.db2.gz HRGKYFQIAXFQKJ-ZDUSSCGKSA-N 0 0 344.415 2.444 40 0 EEABRN O=S1(=O)CCCN1c1cc(NC[C@H]2CCC=CO2)ccc1F ZINC000252497451 464969895 /nfs/dbraw/zinc/96/98/95/464969895.db2.gz QICLQJDOPAUDOQ-CYBMUJFWSA-N 0 0 326.393 2.470 40 0 EEABRN CC(C)(COCc1ccccc1)C(=O)Nc1nc(CC(N)=O)cs1 ZINC000252496787 464969897 /nfs/dbraw/zinc/96/98/97/464969897.db2.gz PRSRRNYWQGOCBW-UHFFFAOYSA-N 0 0 347.440 2.352 40 0 EEABRN Cn1cc(NC(=O)CCCn2cc(COc3ccccc3)nn2)cn1 ZINC000252498739 464970436 /nfs/dbraw/zinc/97/04/36/464970436.db2.gz RJZCWAQIEUDOHE-UHFFFAOYSA-N 0 0 340.387 2.010 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CCC([C@H]2CCCO2)CC1 ZINC000252498321 464971246 /nfs/dbraw/zinc/97/12/46/464971246.db2.gz QYKFUCXKJNQZKX-ZIAGYGMSSA-N 0 0 349.397 2.224 40 0 EEABRN COC[C@@H](O)CNC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000252527861 464979964 /nfs/dbraw/zinc/97/99/64/464979964.db2.gz DNIQKQTVYCNFFE-UBHSHLNASA-N 0 0 346.349 2.258 40 0 EEABRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000253411645 465003135 /nfs/dbraw/zinc/00/31/35/465003135.db2.gz RGVHNHDIYSVSPX-GFCCVEGCSA-N 0 0 348.834 2.491 40 0 EEABRN CCOc1cc(C)ccc1CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000253429444 465012682 /nfs/dbraw/zinc/01/26/82/465012682.db2.gz SDVFOUDHWFCMSX-DNVCBOLYSA-N 0 0 348.443 2.483 40 0 EEABRN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCc2sccc2[C@H]1C ZINC000331840977 466268635 /nfs/dbraw/zinc/26/86/35/466268635.db2.gz DODBIEXJAAXDAM-MRVPVSSYSA-N 0 0 340.426 2.056 40 0 EEABRN CCOc1ccc(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000408925141 466684116 /nfs/dbraw/zinc/68/41/16/466684116.db2.gz NADYEJDFZKBWSV-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN O=C(NC1CC1)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000390835454 467415365 /nfs/dbraw/zinc/41/53/65/467415365.db2.gz MJVWJJRRNMWVNU-ICBNADEASA-N 0 0 336.435 2.302 40 0 EEABRN CC(C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)CC1CC1)CO2 ZINC000575405863 468142539 /nfs/dbraw/zinc/14/25/39/468142539.db2.gz KGHOSLQCXOWANX-MRXNPFEDSA-N 0 0 336.476 2.347 40 0 EEABRN COc1cccc(C(=O)N2C[C@@]3(CCN(C)C3=O)CC(F)(F)C2)c1 ZINC000585093376 468963263 /nfs/dbraw/zinc/96/32/63/468963263.db2.gz SEVNFSMPIJUUKU-MRXNPFEDSA-N 0 0 338.354 2.025 40 0 EEABRN CCOCCc1cnc2n1CCN(C(=O)c1c(C)noc1C)[C@H]2C ZINC000585098668 468967384 /nfs/dbraw/zinc/96/73/84/468967384.db2.gz WMBUBJDBFHEBAU-LBPRGKRZSA-N 0 0 332.404 2.284 40 0 EEABRN O=C(C1CC(F)(F)C1)N1CCc2[nH]nc(-c3cccnc3)c2CC1 ZINC000585110445 468973807 /nfs/dbraw/zinc/97/38/07/468973807.db2.gz XJMLWHQLVUEAFV-UHFFFAOYSA-N 0 0 332.354 2.444 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585272579 468998862 /nfs/dbraw/zinc/99/88/62/468998862.db2.gz NVPHPQNLLQQCAY-FQEVSTJZSA-N 0 0 343.398 2.201 40 0 EEABRN Nc1ncccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585276326 469000863 /nfs/dbraw/zinc/00/08/63/469000863.db2.gz IFESLFZUEDMNRE-HOTGVXAUSA-N 0 0 329.375 2.011 40 0 EEABRN CO[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585279320 469006551 /nfs/dbraw/zinc/00/65/51/469006551.db2.gz KDTUWASUUVIGBD-SJLPKXTDSA-N 0 0 327.428 2.367 40 0 EEABRN COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2cc[nH]n2)C[C@H]3OC)c1 ZINC000585291741 469012374 /nfs/dbraw/zinc/01/23/74/469012374.db2.gz SOGDWGZQIRSEKZ-KFKAGJAMSA-N 0 0 343.427 2.192 40 0 EEABRN CN(C(=O)Cc1nnn(C(C)(C)C)n1)c1ccc(F)cc1Cl ZINC000622930923 469505013 /nfs/dbraw/zinc/50/50/13/469505013.db2.gz UQCKMHGYHWBMFC-UHFFFAOYSA-N 0 0 325.775 2.426 40 0 EEABRN CCc1noc(CC)c1CNC(=O)NCc1csc(N(C)C)n1 ZINC000087132210 500755220 /nfs/dbraw/zinc/75/52/20/500755220.db2.gz MFCKPVQBJRNTCW-UHFFFAOYSA-N 0 0 337.449 2.321 40 0 EEABRN C[C@@H]1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000191437306 534350542 /nfs/dbraw/zinc/35/05/42/534350542.db2.gz MLDAXOBIPVHDGK-ZWNOBZJWSA-N 0 0 332.322 2.405 40 0 EEABRN CCC(CC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)on1 ZINC000158017526 521632822 /nfs/dbraw/zinc/63/28/22/521632822.db2.gz YNCVJVMFPYEXQK-UHFFFAOYSA-N 0 0 337.401 2.478 40 0 EEABRN O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)c1ccc(Cl)cc1 ZINC000408653179 534603644 /nfs/dbraw/zinc/60/36/44/534603644.db2.gz FEVYYBGTEMLXQW-RJYVHDGYSA-N 0 0 334.755 2.264 40 0 EEABRN O=C1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@@H]5[C@@H]67)[C@@H]1[C@H]4[C@H]32 ZINC000104285483 534821530 /nfs/dbraw/zinc/82/15/30/534821530.db2.gz ARFRDYHVQQQLHV-LDJKSMARSA-N 0 0 328.408 2.408 40 0 EEABRN O=C(NCCn1ncc(-c2cnccn2)c1C1CC1)c1ccncc1 ZINC000019405015 526477790 /nfs/dbraw/zinc/47/77/90/526477790.db2.gz VOOHURRPGGTXRY-UHFFFAOYSA-N 0 0 334.383 2.043 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000408708546 527726959 /nfs/dbraw/zinc/72/69/59/527726959.db2.gz JVABZJPVBIXNFJ-UKRRQHHQSA-N 0 0 345.443 2.458 40 0 EEABRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000189838521 528663042 /nfs/dbraw/zinc/66/30/42/528663042.db2.gz JBPQZPPCKFMOOG-GFCCVEGCSA-N 0 0 348.296 2.096 40 0 EEABRN CCN(CC(=O)NCC(C)C)S(=O)(=O)c1cc(C)ccc1C ZINC000225932523 535772305 /nfs/dbraw/zinc/77/23/05/535772305.db2.gz ZOSGAEPRACTKOQ-UHFFFAOYSA-N 0 0 326.462 2.086 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000257242558 536421803 /nfs/dbraw/zinc/42/18/03/536421803.db2.gz IDCPGIJDWBUNKS-AWEZNQCLSA-N 0 0 340.383 2.267 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@H](c3nccc(C)n3)C2)cc1 ZINC000257295221 536750163 /nfs/dbraw/zinc/75/01/63/536750163.db2.gz QXMNJFGRWOMZRL-INIZCTEOSA-N 0 0 327.384 2.145 40 0 EEABRN O=C(NCc1ncc(Br)cn1)N[C@@H]1C[C@H]1c1ccco1 ZINC000895395065 684581279 /nfs/dbraw/zinc/58/12/79/684581279.db2.gz GPNLXLPZWUSRJM-NXEZZACHSA-N 0 0 337.177 2.187 40 0 EEABRN Cc1noc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1 ZINC000930310838 1206548533 /nfs/dbraw/zinc/54/85/33/1206548533.db2.gz QPWOQGZYEKYPRG-UHFFFAOYSA-N 0 0 329.282 2.111 40 0 EEABRN CC1(CC(F)F)CN(C(=O)c2nnc(-c3ccc(F)cn3)o2)C1 ZINC000902949401 1239165251 /nfs/dbraw/zinc/16/52/51/1239165251.db2.gz XNWUJESSUXAFSP-UHFFFAOYSA-N 0 0 326.278 2.388 40 0 EEABRN CCCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000199408041 1406142538 /nfs/dbraw/zinc/14/25/38/1406142538.db2.gz BMYIRSBOVZAYLE-OAHLLOKOSA-N 0 0 332.787 2.452 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)NC1CCS(=O)(=O)CC1 ZINC000050756377 214069719 /nfs/dbraw/zinc/06/97/19/214069719.db2.gz MOBJBYJUFJPREC-UHFFFAOYSA-N 0 0 330.837 2.079 40 0 EEABRN COC(=O)c1ccc(OC[C@@H](O)CN2CCc3ccccc32)cc1 ZINC000053398586 214181800 /nfs/dbraw/zinc/18/18/00/214181800.db2.gz OGKZHAJRPQXIHG-INIZCTEOSA-N 0 0 327.380 2.276 40 0 EEABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCc1nc(-c2ccccc2)no1 ZINC000100458243 219099956 /nfs/dbraw/zinc/09/99/56/219099956.db2.gz XRVSTZBEEWMAQO-ZIAGYGMSSA-N 0 0 325.368 2.454 40 0 EEABRN CCCCOCCOCCOC[C@@H](O)COCCOCCCC ZINC000100925313 219112069 /nfs/dbraw/zinc/11/20/69/219112069.db2.gz WNJHBNZPGLTFHO-KRWDZBQOSA-N 0 0 336.469 2.031 40 0 EEABRN CNC(=O)c1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189899535 529941252 /nfs/dbraw/zinc/94/12/52/529941252.db2.gz ZVICOXCSHSCQFL-INIZCTEOSA-N 0 0 331.416 2.469 40 0 EEABRN Cc1nc(CNC(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)cs1 ZINC000041548016 213452046 /nfs/dbraw/zinc/45/20/46/213452046.db2.gz ILECUYJRYQAQTR-INIZCTEOSA-N 0 0 331.397 2.166 40 0 EEABRN Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)c1Br ZINC000002779193 209909323 /nfs/dbraw/zinc/90/93/23/209909323.db2.gz NDEWEKFJDBBMMN-CABZTGNLSA-N 0 0 344.253 2.336 40 0 EEABRN CCOc1ccc(CCn2cc3[nH]c(N)ncc-3c2=O)cc1OCC ZINC000040714347 213373770 /nfs/dbraw/zinc/37/37/70/213373770.db2.gz HRXXUTMRNDIFML-UHFFFAOYSA-N 0 0 342.399 2.055 40 0 EEABRN Cn1ccs/c1=N\C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000069101341 215359886 /nfs/dbraw/zinc/35/98/86/215359886.db2.gz XPNOGTZEUWVHBP-ZPHPHTNESA-N 0 0 344.440 2.458 40 0 EEABRN CS(=O)(=O)CCOc1ccc(NC(=O)c2ccsc2)cc1 ZINC000584908231 539980209 /nfs/dbraw/zinc/98/02/09/539980209.db2.gz DODXUSVLQMUTJO-UHFFFAOYSA-N 0 0 325.411 2.424 40 0 EEABRN CCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000038666636 213219536 /nfs/dbraw/zinc/21/95/36/213219536.db2.gz SHKZLILDNFZXMI-UHFFFAOYSA-N 0 0 327.431 2.327 40 0 EEABRN Cn1nc2c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)CCC2 ZINC000038510634 213212123 /nfs/dbraw/zinc/21/21/23/213212123.db2.gz NUFZSXBIFYFGMX-UHFFFAOYSA-N 0 0 347.440 2.101 40 0 EEABRN CC(C)OCc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000072264807 216086073 /nfs/dbraw/zinc/08/60/73/216086073.db2.gz RAELCGXQDUWYGO-OKILXGFUSA-N 0 0 327.446 2.410 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccc(F)cc1 ZINC000072324992 216151102 /nfs/dbraw/zinc/15/11/02/216151102.db2.gz ZOESXQGWMINILQ-ZDUSSCGKSA-N 0 0 343.402 2.470 40 0 EEABRN CC(=O)NCCCN1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000072352955 216161834 /nfs/dbraw/zinc/16/18/34/216161834.db2.gz XUXLZVHVOBKVNN-UHFFFAOYSA-N 0 0 332.379 2.442 40 0 EEABRN c1c[nH]c(CN2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378059 216179527 /nfs/dbraw/zinc/17/95/27/216179527.db2.gz YAADORWEBJGNTC-CYBMUJFWSA-N 0 0 336.403 2.113 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072384874 216185839 /nfs/dbraw/zinc/18/58/39/216185839.db2.gz WFRJNGPMPJEUFU-JTQLQIEISA-N 0 0 327.310 2.031 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ccccn2)n1 ZINC000072382498 216182725 /nfs/dbraw/zinc/18/27/25/216182725.db2.gz WDICQYTZCAUODH-CYBMUJFWSA-N 0 0 327.388 2.234 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000072383543 216183875 /nfs/dbraw/zinc/18/38/75/216183875.db2.gz AVYDOFNMMPRCGV-OAHLLOKOSA-N 0 0 340.431 2.428 40 0 EEABRN Cc1cc2c(nc3n(c2=O)CCN(Cc2ccncc2)CC3)s1 ZINC000072397012 216193268 /nfs/dbraw/zinc/19/32/68/216193268.db2.gz DSKKTGQAKUKNAR-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108525551 219897449 /nfs/dbraw/zinc/89/74/49/219897449.db2.gz JWSMTZZVRQZMHW-RDJZCZTQSA-N 0 0 348.487 2.300 40 0 EEABRN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H](C)Cn1ccnc1 ZINC000072960886 216333187 /nfs/dbraw/zinc/33/31/87/216333187.db2.gz HNXKYHVDZIOGLP-SNVBAGLBSA-N 0 0 331.445 2.399 40 0 EEABRN CC(C)C[C@H]1COCCN1C(=O)NCCc1nccn1C(F)F ZINC000073056384 216345211 /nfs/dbraw/zinc/34/52/11/216345211.db2.gz BCBPXNHKVQUWPK-LBPRGKRZSA-N 0 0 330.379 2.277 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000193497128 240188574 /nfs/dbraw/zinc/18/85/74/240188574.db2.gz ODWUPIQJEMBKNM-UONOGXRCSA-N 0 0 330.494 2.421 40 0 EEABRN C[C@@H](C(=O)NC1CC1)N1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578528 241024811 /nfs/dbraw/zinc/02/48/11/241024811.db2.gz ZEMHSSLLOUBLLF-ZDUSSCGKSA-N 0 0 342.418 2.163 40 0 EEABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccco1 ZINC000216348939 241185312 /nfs/dbraw/zinc/18/53/12/241185312.db2.gz IVKBJCKWXUBYAH-UHFFFAOYSA-N 0 0 338.385 2.227 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 ZINC000223672748 241677765 /nfs/dbraw/zinc/67/77/65/241677765.db2.gz DIICBDKBVLAFOP-CVEARBPZSA-N 0 0 344.440 2.254 40 0 EEABRN CCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000225448124 241867824 /nfs/dbraw/zinc/86/78/24/241867824.db2.gz MVIFLSLTBSYTOX-UHFFFAOYSA-N 0 0 348.852 2.081 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCC[C@@H](C)C2)n1 ZINC000225901998 242075188 /nfs/dbraw/zinc/07/51/88/242075188.db2.gz ZJVYJJNMTDDLHG-GFCCVEGCSA-N 0 0 337.493 2.344 40 0 EEABRN CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1cc(C)ccc1C ZINC000225934799 242079002 /nfs/dbraw/zinc/07/90/02/242079002.db2.gz FTOPNYGSQIQPNA-UHFFFAOYSA-N 0 0 340.489 2.476 40 0 EEABRN CCC(=O)NC(=S)Nc1ccccc1-c1nn2c(C)nnc2s1 ZINC000021596152 212233566 /nfs/dbraw/zinc/23/35/66/212233566.db2.gz CLHFZEDEULCIQT-UHFFFAOYSA-N 0 0 346.441 2.384 40 0 EEABRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3=NO[C@H](C)C3)C2)c1 ZINC000240707729 242976004 /nfs/dbraw/zinc/97/60/04/242976004.db2.gz HQDSSPYJDVMROJ-KGLIPLIRSA-N 0 0 344.415 2.477 40 0 EEABRN O=C(c1cocn1)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 ZINC000247850081 243464997 /nfs/dbraw/zinc/46/49/97/243464997.db2.gz ILSUHOSNELNVGK-HNNXBMFYSA-N 0 0 330.388 2.103 40 0 EEABRN Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccnn3C)CC2)c1 ZINC000253428346 243973133 /nfs/dbraw/zinc/97/31/33/243973133.db2.gz KMJGUBQWYQLOFN-UHFFFAOYSA-N 0 0 349.456 2.269 40 0 EEABRN CC(C)(COCc1ccccc1)C(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC000253535204 244009506 /nfs/dbraw/zinc/00/95/06/244009506.db2.gz ZIHXVOLXIKMBAC-UHFFFAOYSA-N 0 0 341.411 2.310 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)nc(C)n1 ZINC000257203594 244127923 /nfs/dbraw/zinc/12/79/23/244127923.db2.gz AQUGUJYPDVOWSI-MRXNPFEDSA-N 0 0 333.432 2.079 40 0 EEABRN O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257207218 244137688 /nfs/dbraw/zinc/13/76/88/244137688.db2.gz BGVNWZYNWVBITN-AWEZNQCLSA-N 0 0 337.379 2.364 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccccc2C)n1 ZINC000257208849 244143476 /nfs/dbraw/zinc/14/34/76/244143476.db2.gz BNUMWHWPHAVZJR-MRXNPFEDSA-N 0 0 340.427 2.278 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 ZINC000257209623 244147219 /nfs/dbraw/zinc/14/72/19/244147219.db2.gz BREIIROQDKXAIQ-ZDUSSCGKSA-N 0 0 343.431 2.403 40 0 EEABRN CN(C)c1nccnc1[C@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 ZINC000257217268 244170445 /nfs/dbraw/zinc/17/04/45/244170445.db2.gz CYGRXNJHGMSIEU-ROJDOSBLSA-N 0 0 338.411 2.156 40 0 EEABRN CC(=O)N[C@@]1(C)C[C@@H](c2ccc(O)cc2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257222161 244187351 /nfs/dbraw/zinc/18/73/51/244187351.db2.gz DSECKJBRVQPKMP-ZRSRNVLSSA-N 0 0 331.412 2.444 40 0 EEABRN CNC(=O)CN1CCC[C@@H]1c1ccnc(Nc2cccc(C)n2)c1 ZINC000257225236 244199688 /nfs/dbraw/zinc/19/96/88/244199688.db2.gz FFJXGGYFBWNUKI-OAHLLOKOSA-N 0 0 325.416 2.412 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)CCc2cccs2)cc(=O)[nH]1 ZINC000257229365 244206400 /nfs/dbraw/zinc/20/64/00/244206400.db2.gz FXVIYKGHBXTKAA-AWEZNQCLSA-N 0 0 333.413 2.085 40 0 EEABRN Cc1ccnn1CCC(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257229451 244208124 /nfs/dbraw/zinc/20/81/24/244208124.db2.gz FYENVYZVTQPBNK-ZHALLVOQSA-N 0 0 343.427 2.011 40 0 EEABRN Cc1cc(N)cc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 ZINC000257220420 244180793 /nfs/dbraw/zinc/18/07/93/244180793.db2.gz DKUJYSJKEXHOBE-SFHVURJKSA-N 0 0 337.427 2.432 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1cc(-c2cc(C)[nH]n2)nc(C)n1 ZINC000257244219 244253069 /nfs/dbraw/zinc/25/30/69/244253069.db2.gz IKKLHHQDXANOFN-INIZCTEOSA-N 0 0 329.404 2.184 40 0 EEABRN O=C(c1cnccn1)N1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257244464 244254081 /nfs/dbraw/zinc/25/40/81/244254081.db2.gz ILLKQSRPQQUVFN-CYBMUJFWSA-N 0 0 331.803 2.461 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)n1 ZINC000257236177 244228787 /nfs/dbraw/zinc/22/87/87/244228787.db2.gz HBBXNZAAKPITRX-ZDUSSCGKSA-N 0 0 331.420 2.184 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2Cc2ccnn2C(C)C)n1 ZINC000257238106 244236166 /nfs/dbraw/zinc/23/61/66/244236166.db2.gz HJPYMURMMHUKAJ-HNNXBMFYSA-N 0 0 330.436 2.178 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000257239604 244237567 /nfs/dbraw/zinc/23/75/67/244237567.db2.gz HQBWYUAQVMNBDK-HNNXBMFYSA-N 0 0 335.411 2.381 40 0 EEABRN Nc1nccnc1[C@H]1CN(Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247026 244260161 /nfs/dbraw/zinc/26/01/61/244260161.db2.gz IXBHCLHGOKLEQN-GFCCVEGCSA-N 0 0 342.428 2.084 40 0 EEABRN Cc1nc(CN2CCOC[C@@H]2c2nc(C)cc(N(C)C)n2)cs1 ZINC000257250449 244268013 /nfs/dbraw/zinc/26/80/13/244268013.db2.gz JMOQCWDQWVVQKQ-CQSZACIVSA-N 0 0 333.461 2.189 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@]2(CCCO2)[C@H](OC)C1 ZINC000257256481 244284240 /nfs/dbraw/zinc/28/42/40/244284240.db2.gz KLRJBHWZNXAJOR-IEBWSBKVSA-N 0 0 348.443 2.212 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccc1C)C2 ZINC000257265650 244361111 /nfs/dbraw/zinc/36/11/11/244361111.db2.gz LZSFBTHFEOCWCU-CYJAXWMASA-N 0 0 327.428 2.394 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 ZINC000257271479 244380320 /nfs/dbraw/zinc/38/03/20/244380320.db2.gz MYMPLZKMJNHDHA-MRXNPFEDSA-N 0 0 349.394 2.280 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 ZINC000257279478 244401955 /nfs/dbraw/zinc/40/19/55/244401955.db2.gz OGVVDOVMSZVCKF-OAHLLOKOSA-N 0 0 327.432 2.295 40 0 EEABRN CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cncnc2C)n1 ZINC000257294650 244445898 /nfs/dbraw/zinc/44/58/98/244445898.db2.gz QVBHOBIMVPYCFZ-KRWDZBQOSA-N 0 0 326.404 2.077 40 0 EEABRN CC(=O)N1CCC(C)(c2cc(C(=O)NCC3CCC3)nc(C)n2)CC1 ZINC000257311937 244492667 /nfs/dbraw/zinc/49/26/67/244492667.db2.gz ULROXFGWTQCEFO-UHFFFAOYSA-N 0 0 344.459 2.215 40 0 EEABRN Cc1csc(-c2ncccc2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257334159 244557988 /nfs/dbraw/zinc/55/79/88/244557988.db2.gz YEUGZZJOWOZZGQ-GFCCVEGCSA-N 0 0 337.470 2.338 40 0 EEABRN CC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(N)ncnc3n2)C1 ZINC000019743022 212060393 /nfs/dbraw/zinc/06/03/93/212060393.db2.gz AXSDDLQFOIKRLZ-SECBINFHSA-N 0 0 339.321 2.352 40 0 EEABRN O=C(Cn1ncc2ccccc2c1=O)N1CC[C@H](c2ccccc2)C1 ZINC000019656509 212052624 /nfs/dbraw/zinc/05/26/24/212052624.db2.gz VIOZKOFWUFLMNB-KRWDZBQOSA-N 0 0 333.391 2.413 40 0 EEABRN CCN(CCNC(=O)C(=O)Nc1c(C)noc1C)c1ccccc1C ZINC000077706899 216958807 /nfs/dbraw/zinc/95/88/07/216958807.db2.gz LZLSQOOZRFPHHX-UHFFFAOYSA-N 0 0 344.415 2.181 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(C)c(=O)[nH]1 ZINC000019555507 212041706 /nfs/dbraw/zinc/04/17/06/212041706.db2.gz PNRXUQOWCUMVAJ-HNNXBMFYSA-N 0 0 341.411 2.302 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C ZINC000019555466 212040866 /nfs/dbraw/zinc/04/08/66/212040866.db2.gz QKJWWPZEZPKUSS-HNNXBMFYSA-N 0 0 329.375 2.432 40 0 EEABRN CC(C)CN1C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O ZINC000019447082 212027997 /nfs/dbraw/zinc/02/79/97/212027997.db2.gz GDIMQIPKBRCBDZ-SJLPKXTDSA-N 0 0 344.455 2.263 40 0 EEABRN CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113717 217023991 /nfs/dbraw/zinc/02/39/91/217023991.db2.gz CIUFEWKGOSAUSE-GOSISDBHSA-N 0 0 325.412 2.336 40 0 EEABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)c2sccn12 ZINC000019240775 212008296 /nfs/dbraw/zinc/00/82/96/212008296.db2.gz HRKUVJFOIILNPF-GFCCVEGCSA-N 0 0 329.429 2.458 40 0 EEABRN CC[C@@H]1CN(C(=O)NCc2cccnc2-n2ccnc2C)C[C@H](C)O1 ZINC000078925096 217149372 /nfs/dbraw/zinc/14/93/72/217149372.db2.gz BISQMGHHGAXZPC-XJKSGUPXSA-N 0 0 343.431 2.285 40 0 EEABRN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2C)c1 ZINC000079028990 217178055 /nfs/dbraw/zinc/17/80/55/217178055.db2.gz CFHAVQUHVHYXHN-KRWDZBQOSA-N 0 0 326.396 2.400 40 0 EEABRN O=c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(C(F)(F)F)[nH]1 ZINC000016429816 211902928 /nfs/dbraw/zinc/90/29/28/211902928.db2.gz LYLSMCGSVGIQBE-UHFFFAOYSA-N 0 0 342.668 2.085 40 0 EEABRN COCCNC(=O)c1ccc(N2CC[C@@H](Nc3ccccc3)C2)nc1 ZINC000079089661 217188954 /nfs/dbraw/zinc/18/89/54/217188954.db2.gz HYJDSZNXDJGGHL-QGZVFWFLSA-N 0 0 340.427 2.149 40 0 EEABRN O[C@@H](CN1CCN(CC(F)(F)C(F)F)CC1)c1cccc(F)c1 ZINC000079311789 217207386 /nfs/dbraw/zinc/20/73/86/217207386.db2.gz WMKKJORXXKZRLL-ZDUSSCGKSA-N 0 0 338.320 2.377 40 0 EEABRN CCO[C@@H]1C[C@@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000079350909 217212695 /nfs/dbraw/zinc/21/26/95/217212695.db2.gz JWIWLNQNHUSQAJ-QWHCGFSZSA-N 0 0 335.791 2.474 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1ccnc1 ZINC000079351774 217212859 /nfs/dbraw/zinc/21/28/59/217212859.db2.gz JFLYSOSYYFAMHM-OCCSQVGLSA-N 0 0 344.390 2.437 40 0 EEABRN Cc1ccsc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000079359467 217215300 /nfs/dbraw/zinc/21/53/00/217215300.db2.gz PRTMMJHAGHPBPR-XJKSGUPXSA-N 0 0 346.456 2.016 40 0 EEABRN Cc1ccccc1C(C)(C)CNC(=O)c1cnc2n(c1=O)CCS2 ZINC000079335688 217209576 /nfs/dbraw/zinc/20/95/76/217209576.db2.gz JBEIKQOFVUANSS-UHFFFAOYSA-N 0 0 343.452 2.365 40 0 EEABRN CN(Cc1nnc2n1CCC2)C(=O)[C@H]1SCCc2sccc21 ZINC000079450261 217226451 /nfs/dbraw/zinc/22/64/51/217226451.db2.gz NAMNMKSAFCUKJC-AWEZNQCLSA-N 0 0 334.470 2.275 40 0 EEABRN CC(C)[C@H](C(=O)NCCc1nc2cc(F)ccc2[nH]1)N1CCCC1=O ZINC000080960880 217344450 /nfs/dbraw/zinc/34/44/50/217344450.db2.gz VBVUXNLKJFLFDB-QGZVFWFLSA-N 0 0 346.406 2.008 40 0 EEABRN COC(=O)c1ccc(NC(=S)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000013556329 211576654 /nfs/dbraw/zinc/57/66/54/211576654.db2.gz WOBPKPKMKIQZOT-CVEARBPZSA-N 0 0 342.420 2.418 40 0 EEABRN Cn1nc([C@H]2CCCN(C(=O)C3CCOCC3)C2)c2cccnc21 ZINC000013265371 211539363 /nfs/dbraw/zinc/53/93/63/211539363.db2.gz DGILCVBOGIYGNN-AWEZNQCLSA-N 0 0 328.416 2.101 40 0 EEABRN Cc1ccc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)o1 ZINC000012290968 211333648 /nfs/dbraw/zinc/33/36/48/211333648.db2.gz USPLURGYRAEZCF-UHFFFAOYSA-N 0 0 346.402 2.441 40 0 EEABRN Cc1ncc2c(n1)[C@H]1CN(C(=O)c3ccnn3C(C)C)C[C@H]1CC2 ZINC000012232601 211326934 /nfs/dbraw/zinc/32/69/34/211326934.db2.gz NYOBLTWFGGNUAX-CABCVRRESA-N 0 0 325.416 2.364 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)c1cccs1 ZINC000012200329 211318417 /nfs/dbraw/zinc/31/84/17/211318417.db2.gz ORYFYKPLOHLVBX-DZGCQCFKSA-N 0 0 332.429 2.488 40 0 EEABRN O=C(c1ccc2c(c1)NC(=O)CO2)C1CCN(C(=O)C2CCC2)CC1 ZINC000012185703 211314148 /nfs/dbraw/zinc/31/41/48/211314148.db2.gz PIJHQZKXPGWJKA-UHFFFAOYSA-N 0 0 342.395 2.239 40 0 EEABRN O=C(NC[C@H]1CCCN(C(=O)c2ccccn2)C1)c1cccs1 ZINC000012184876 211312224 /nfs/dbraw/zinc/31/22/24/211312224.db2.gz BJPXLFDGWVJHIA-CYBMUJFWSA-N 0 0 329.425 2.425 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCCCC1 ZINC000012114408 211292636 /nfs/dbraw/zinc/29/26/36/211292636.db2.gz YVKKLZBOMDRCEQ-MVVMVCHASA-N 0 0 332.448 2.277 40 0 EEABRN Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cc(F)cc(F)c3)C[C@H]21 ZINC000012120029 211298203 /nfs/dbraw/zinc/29/82/03/211298203.db2.gz DZHTUZGPPVCRBV-BMIGLBTASA-N 0 0 345.349 2.159 40 0 EEABRN COC(=O)[C@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@@H](C)O1 ZINC000092014152 218104031 /nfs/dbraw/zinc/10/40/31/218104031.db2.gz MCKFQIWSWZYVPY-CXAGYDPISA-N 0 0 336.407 2.188 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cccc(F)c1 ZINC000010449280 211174308 /nfs/dbraw/zinc/17/43/08/211174308.db2.gz HHJDQCHJUPJTMB-UHFFFAOYSA-N 0 0 348.399 2.181 40 0 EEABRN C[C@@H](SCCNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 ZINC000095403751 218338446 /nfs/dbraw/zinc/33/84/46/218338446.db2.gz MAHWUTUNNAKHFV-LLVKDONJSA-N 0 0 343.449 2.332 40 0 EEABRN O=C(NCCc1ccccc1Br)NCC1(CO)CC1 ZINC000095406303 218342549 /nfs/dbraw/zinc/34/25/49/218342549.db2.gz OUKYUPSNNLZQLV-UHFFFAOYSA-N 0 0 327.222 2.063 40 0 EEABRN O=C(C[C@@H]1CCOC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000095407218 218343379 /nfs/dbraw/zinc/34/33/79/218343379.db2.gz ZSYVINSLYJPMON-JKSUJKDBSA-N 0 0 330.428 2.082 40 0 EEABRN Cc1c(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cnn1C ZINC000095436458 218379012 /nfs/dbraw/zinc/37/90/12/218379012.db2.gz KLVHSHXDBWSYQN-UHFFFAOYSA-N 0 0 336.395 2.499 40 0 EEABRN Cc1ccc(C(=O)N2CCN(c3cc(NCC4CC4)ncn3)CC2)o1 ZINC000095442053 218386335 /nfs/dbraw/zinc/38/63/35/218386335.db2.gz DQWDNJXBXXIKOH-UHFFFAOYSA-N 0 0 341.415 2.162 40 0 EEABRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCS(=O)(=O)N(C)C ZINC000095451417 218395677 /nfs/dbraw/zinc/39/56/77/218395677.db2.gz AZEVBUDIQLXWBE-GFCCVEGCSA-N 0 0 338.429 2.234 40 0 EEABRN CCOC[C@@H]1COCCC12CCN(C(=O)c1cccnc1OC)CC2 ZINC000096106446 218598830 /nfs/dbraw/zinc/59/88/30/218598830.db2.gz RABMBCGIFHVKEP-OAHLLOKOSA-N 0 0 348.443 2.386 40 0 EEABRN CCOC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2nnn(C)c21 ZINC000096111090 218606984 /nfs/dbraw/zinc/60/69/84/218606984.db2.gz SBTXFOHVSWINAX-SYTKJHMZSA-N 0 0 332.429 2.052 40 0 EEABRN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NCC1CC1 ZINC000096113129 218609197 /nfs/dbraw/zinc/60/91/97/218609197.db2.gz RXBHMNLUHFMADM-JKSUJKDBSA-N 0 0 349.862 2.118 40 0 biogenic,in-vitro EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107780 218601165 /nfs/dbraw/zinc/60/11/65/218601165.db2.gz TXMPIOHLOADDQR-MJGOQNOKSA-N 0 0 342.395 2.194 40 0 EEABRN Cc1nc(CN(C)c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cs1 ZINC000096403714 218752084 /nfs/dbraw/zinc/75/20/84/218752084.db2.gz HPSFEXUMUWXYNZ-UHFFFAOYSA-N 0 0 332.433 2.276 40 0 EEABRN CS(=O)(=O)c1ccsc1NC(=O)Cc1noc2ccccc21 ZINC000096411627 218766858 /nfs/dbraw/zinc/76/68/58/218766858.db2.gz SEFQMOQSIKADBY-UHFFFAOYSA-N 0 0 336.394 2.474 40 0 EEABRN Cc1nsc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000096429260 218802035 /nfs/dbraw/zinc/80/20/35/218802035.db2.gz RDWDYFYJYXIYBL-AWEZNQCLSA-N 0 0 332.429 2.367 40 0 EEABRN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000096432199 218807777 /nfs/dbraw/zinc/80/77/77/218807777.db2.gz WUYJPHQVDNWEED-MRVPVSSYSA-N 0 0 345.833 2.210 40 0 EEABRN CC(C)[C@@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1nnc2n1CCC2 ZINC000096440026 218821181 /nfs/dbraw/zinc/82/11/81/218821181.db2.gz JYHAJWRYGCGVCY-YRGRVCCFSA-N 0 0 337.493 2.457 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096440611 218821626 /nfs/dbraw/zinc/82/16/26/218821626.db2.gz RCLHHPCYEAHRQA-TUAOUCFPSA-N 0 0 333.354 2.124 40 0 EEABRN O=C(NC[C@H](O)c1ccsc1)c1cc(N2CCCC2=O)ccc1F ZINC000096437269 218817423 /nfs/dbraw/zinc/81/74/23/218817423.db2.gz YBPNJKRWOTUYBE-HNNXBMFYSA-N 0 0 348.399 2.477 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1ccccc1F ZINC000096521396 218881850 /nfs/dbraw/zinc/88/18/50/218881850.db2.gz PDQMPWQQERIYDC-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN C[C@@](Cl)([C@@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096520226 218882004 /nfs/dbraw/zinc/88/20/04/218882004.db2.gz ZZCSVRMTEPVUAI-UWVGGRQHSA-N 0 0 327.627 2.482 40 0 EEABRN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103132 218955546 /nfs/dbraw/zinc/95/55/46/218955546.db2.gz VVRTVWAMOFHXJO-LBPRGKRZSA-N 0 0 348.447 2.049 40 0 EEABRN NS(=O)(=O)c1ccc(-c2c(CO)onc2-c2ccccc2)cc1 ZINC000000021455 208551002 /nfs/dbraw/zinc/55/10/02/208551002.db2.gz UJSFKTUZOASIPA-UHFFFAOYSA-N 0 0 330.365 2.148 40 0 in-vitro EEABRN Cc1cn(-c2ccccc2Cl)nc1C(=O)OC[C@H]1CCC(=O)N1 ZINC000097230429 219000474 /nfs/dbraw/zinc/00/04/74/219000474.db2.gz WTTBMMAEDCPFTP-LLVKDONJSA-N 0 0 333.775 2.270 40 0 EEABRN COCCNC(=O)[C@@H](OC(=O)c1cccs1)c1ccccc1OC ZINC000004901345 210316440 /nfs/dbraw/zinc/31/64/40/210316440.db2.gz SLTJYCILNXDLQP-HNNXBMFYSA-N 0 0 349.408 2.417 40 0 EEABRN CCc1nn(C)c(OC)c1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234257 219001455 /nfs/dbraw/zinc/00/14/55/219001455.db2.gz AUMQVIXKANJMPM-HNNXBMFYSA-N 0 0 346.435 2.151 40 0 EEABRN Cn1ncc(N2CCO[C@H](CCc3ccccc3)C2)c(Cl)c1=O ZINC000097373791 219017184 /nfs/dbraw/zinc/01/71/84/219017184.db2.gz DRJHGYFSTWBVEX-CQSZACIVSA-N 0 0 333.819 2.272 40 0 EEABRN O=c1/c(=C\c2ccc3c(c2)OCO3)sc2nnc(-c3ccccc3)n12 ZINC000009189055 285192981 /nfs/dbraw/zinc/19/29/81/285192981.db2.gz SUCOHBPOHWDGGR-OQLLNIDSSA-N 0 0 349.371 2.094 40 0 EEABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@@H]2c1ccccc1 ZINC000019168962 296437462 /nfs/dbraw/zinc/43/74/62/296437462.db2.gz GSTBIPUTOBWTEH-KURKYZTESA-N 0 0 333.391 2.222 40 0 EEABRN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC=C(C(F)(F)F)CC1 ZINC000270152209 257843325 /nfs/dbraw/zinc/84/33/25/257843325.db2.gz DCFOEPHIWDFWTK-UHFFFAOYSA-N 0 0 349.330 2.341 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](Oc1ncccc1F)CCO2)N1CCCC1 ZINC000306125678 257917844 /nfs/dbraw/zinc/91/78/44/257917844.db2.gz CXOJWINMZNEMLH-ZDUSSCGKSA-N 0 0 335.379 2.049 40 0 EEABRN COCC(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 ZINC000072346034 292176853 /nfs/dbraw/zinc/17/68/53/292176853.db2.gz QYMHJNGJNUGKHW-ZDUSSCGKSA-N 0 0 344.390 2.217 40 0 EEABRN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173464939 152168094 /nfs/dbraw/zinc/16/80/94/152168094.db2.gz LNLOIYXSNDEJBP-DYVFJYSZSA-N 0 0 348.491 2.265 40 0 EEABRN O=C1NC(=O)[C@@H]2[C@H]1N(Cc1ccccc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000170620951 226663273 /nfs/dbraw/zinc/66/32/73/226663273.db2.gz WRLFSMGBFQIJLX-ARFHVFGLSA-N 0 0 341.798 2.043 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000072237938 277010267 /nfs/dbraw/zinc/01/02/67/277010267.db2.gz VNROFVJLPCNPCZ-IRXDYDNUSA-N 0 0 328.343 2.363 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cscn2)Cc2ncn(CC3CC3)c21 ZINC000096045072 277253873 /nfs/dbraw/zinc/25/38/73/277253873.db2.gz WLKIAKJIRPKMRY-LBPRGKRZSA-N 0 0 332.429 2.136 40 0 EEABRN CC(C)(O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000191794092 277310682 /nfs/dbraw/zinc/31/06/82/277310682.db2.gz KEXBBZWRZXTBQW-LBPRGKRZSA-N 0 0 328.206 2.120 40 0 EEABRN C[C@H](NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1)C(=O)N(C)C ZINC000253429266 278247144 /nfs/dbraw/zinc/24/71/44/278247144.db2.gz GWGBXPYSGYEKNS-JTQLQIEISA-N 0 0 335.795 2.124 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(c4ncccn4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261635 278649539 /nfs/dbraw/zinc/64/95/39/278649539.db2.gz HUPFIYWDXGYXOC-ZRGWGRIASA-N 0 0 339.443 2.122 40 0 EEABRN Cc1nsc(C)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000292948669 293086022 /nfs/dbraw/zinc/08/60/22/293086022.db2.gz YGPAIHFXYWVLSN-UHFFFAOYSA-N 0 0 331.323 2.026 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccn2C)Cc2cn(CC3CC3)nc21 ZINC000096198122 293230620 /nfs/dbraw/zinc/23/06/20/293230620.db2.gz ODRLGIDURSTFIA-OAHLLOKOSA-N 0 0 328.416 2.018 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cs1 ZINC000096108141 293267016 /nfs/dbraw/zinc/26/70/16/293267016.db2.gz ZOULVWKGNIWWNL-XJKSGUPXSA-N 0 0 347.440 2.018 40 0 EEABRN Cc1oc(-c2cn(-c3ccccc3)nc2-c2ccccc2)[n+]([O-])[n+]1[O-] ZINC000072238818 294024993 /nfs/dbraw/zinc/02/49/93/294024993.db2.gz FEXWCKMUDZTDJA-UHFFFAOYSA-N 0 0 334.335 2.375 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000298127366 294427237 /nfs/dbraw/zinc/42/72/37/294427237.db2.gz DIVJPPACNPZPEZ-UHFFFAOYSA-N 0 0 341.411 2.406 40 0 EEABRN NC(=O)N1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)c1ccccc12 ZINC000096080261 295062013 /nfs/dbraw/zinc/06/20/13/295062013.db2.gz JOAWUPMLJUEMGM-AWEZNQCLSA-N 0 0 343.427 2.015 40 0 EEABRN Cc1ccc2c(c1)CC[C@H](C(=O)N1CCNC(=O)c3ccccc31)O2 ZINC000253431175 301883993 /nfs/dbraw/zinc/88/39/93/301883993.db2.gz QLUOAKAINUZHPB-GOSISDBHSA-N 0 0 336.391 2.465 40 0 EEABRN NC(=O)CC[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000078881523 303248079 /nfs/dbraw/zinc/24/80/79/303248079.db2.gz OJMGHWSOJUVHFL-LLVKDONJSA-N 0 0 346.399 2.165 40 0 EEABRN O=C(Cc1cccs1)N1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000040386078 303657771 /nfs/dbraw/zinc/65/77/71/303657771.db2.gz VWFLAXCIRAIDEF-HNNXBMFYSA-N 0 0 340.404 2.469 40 0 EEABRN Cc1ncoc1C(=O)N1CCOC[C@H]1c1nnc(-c2cccs2)o1 ZINC000329286783 311663741 /nfs/dbraw/zinc/66/37/41/311663741.db2.gz MEINTUZEKTVHOU-JTQLQIEISA-N 0 0 346.368 2.308 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)c1 ZINC000080758214 323319520 /nfs/dbraw/zinc/31/95/20/323319520.db2.gz AZWUYVQXBPJROV-UHFFFAOYSA-N 0 0 346.387 2.193 40 0 EEABRN Cc1cccc(C(=O)NCCC(=O)NCc2ccccn2)c1Cl ZINC000097097842 323320116 /nfs/dbraw/zinc/32/01/16/323320116.db2.gz FMBPKMBZXYQLBI-UHFFFAOYSA-N 0 0 331.803 2.480 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000097095293 323320426 /nfs/dbraw/zinc/32/04/26/323320426.db2.gz OKMBWSNOMRTTAQ-SMDDNHRTSA-N 0 0 346.349 2.387 40 0 EEABRN COC(=O)c1ccc(N2CCN(Cc3ccc(CO)o3)[C@H](C)C2)cc1 ZINC000092659829 323320654 /nfs/dbraw/zinc/32/06/54/323320654.db2.gz MKHGJBXIBBKSPD-CQSZACIVSA-N 0 0 344.411 2.269 40 0 EEABRN COC(=O)CCN1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@@H]1C ZINC000097232646 323321427 /nfs/dbraw/zinc/32/14/27/323321427.db2.gz NQNHCWGPMIHRLG-LBPRGKRZSA-N 0 0 348.374 2.281 40 0 EEABRN CCCn1c(C)nnc1CN1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000097372114 323322347 /nfs/dbraw/zinc/32/23/47/323322347.db2.gz SSBKBJCBYYMGOW-INIZCTEOSA-N 0 0 347.850 2.323 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1cc(N2CCOCC2)ccn1 ZINC000130732505 323328850 /nfs/dbraw/zinc/32/88/50/323328850.db2.gz KQBPWYILWKDDGP-DOTOQJQBSA-N 0 0 341.386 2.343 40 0 EEABRN CN(C(=O)c1cccnc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000154725204 323331890 /nfs/dbraw/zinc/33/18/90/323331890.db2.gz RPMGTHWKLQPDNF-ZDUSSCGKSA-N 0 0 348.200 2.143 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000195580621 323515070 /nfs/dbraw/zinc/51/50/70/323515070.db2.gz LOFCDUSEPWBPDH-KBXCAEBGSA-N 0 0 348.468 2.023 40 0 EEABRN COc1cccc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)c1 ZINC000085472583 462550478 /nfs/dbraw/zinc/55/04/78/462550478.db2.gz OCKVQHBVUWWTSF-OAHLLOKOSA-N 0 0 346.408 2.123 40 0 EEABRN CN(C)c1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1 ZINC000000416965 462560296 /nfs/dbraw/zinc/56/02/96/462560296.db2.gz GJSWNYNXLUTASJ-UHFFFAOYSA-N 0 0 342.447 2.197 40 0 EEABRN CNC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000420025 462561661 /nfs/dbraw/zinc/56/16/61/462561661.db2.gz QUDFCAHWSNLNRC-HNNXBMFYSA-N 0 0 345.468 2.322 40 0 EEABRN CC(C)(C)c1cnc(COC(=O)c2cn(Cc3cccnc3)nn2)o1 ZINC000085989686 462564150 /nfs/dbraw/zinc/56/41/50/462564150.db2.gz GYOOZCPFLCNIPN-UHFFFAOYSA-N 0 0 341.371 2.364 40 0 EEABRN CC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000001381507 462580619 /nfs/dbraw/zinc/58/06/19/462580619.db2.gz APOMVSXLNWIBTM-DTORHVGOSA-N 0 0 328.463 2.378 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)[C@H]3C[C@@H]3c3ccco3)nn2)cc1 ZINC000087423641 462607124 /nfs/dbraw/zinc/60/71/24/462607124.db2.gz IFWLBHDMHXMYGM-HOTGVXAUSA-N 0 0 338.367 2.289 40 0 EEABRN COc1ncccc1C(=O)N1CCC(Cn2nc(C)cc2C)CC1 ZINC000062131250 462610611 /nfs/dbraw/zinc/61/06/11/462610611.db2.gz RKCACTXWGSPZNO-UHFFFAOYSA-N 0 0 328.416 2.456 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000113966597 462618877 /nfs/dbraw/zinc/61/88/77/462618877.db2.gz ZXTRMMDHGSWIGL-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN CCOC(=O)c1ccc(Cl)c(N2C[C@H](C(=O)OCC)CC2=O)c1 ZINC000045953293 462633656 /nfs/dbraw/zinc/63/36/56/462633656.db2.gz AQAFNUBAZFMPPY-LLVKDONJSA-N 0 0 339.775 2.433 40 0 EEABRN CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C1(C)C ZINC000074975878 462661008 /nfs/dbraw/zinc/66/10/08/462661008.db2.gz USMRMFMAZIRKBK-ZBFHGGJFSA-N 0 0 325.430 2.371 40 0 EEABRN Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000075111310 462676972 /nfs/dbraw/zinc/67/69/72/462676972.db2.gz GYIJWVULOFGDEJ-CABCVRRESA-N 0 0 340.489 2.309 40 0 EEABRN CC(C)CNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000006326214 462682969 /nfs/dbraw/zinc/68/29/69/462682969.db2.gz PHRQPRPSJNXIJM-UHFFFAOYSA-N 0 0 340.489 2.326 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000006946581 462714389 /nfs/dbraw/zinc/71/43/89/462714389.db2.gz YJWFASZEJMKZRI-ZDUSSCGKSA-N 0 0 326.462 2.374 40 0 EEABRN CC[C@H](c1ccc(F)cc1F)N1CCN(CCn2cncn2)CC1 ZINC000075833051 462763247 /nfs/dbraw/zinc/76/32/47/462763247.db2.gz AKEHZHTZZWPFDL-QGZVFWFLSA-N 0 0 335.402 2.325 40 0 EEABRN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCn2cncn2)CC1 ZINC000075833050 462763263 /nfs/dbraw/zinc/76/32/63/462763263.db2.gz AKEHZHTZZWPFDL-KRWDZBQOSA-N 0 0 335.402 2.325 40 0 EEABRN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c(C)c1 ZINC000047328476 462769460 /nfs/dbraw/zinc/76/94/60/462769460.db2.gz HIXLSIQYACCKHZ-UHFFFAOYSA-N 0 0 329.385 2.080 40 0 EEABRN CC[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1c(C)nn(C)c1C ZINC000076202635 462821928 /nfs/dbraw/zinc/82/19/28/462821928.db2.gz QAFHGPWIMMEVQC-DYVFJYSZSA-N 0 0 334.420 2.288 40 0 EEABRN COC[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21 ZINC000012220771 462846945 /nfs/dbraw/zinc/84/69/45/462846945.db2.gz SMQZPLVVPOGOEA-WZTQHZHRSA-N 0 0 329.396 2.198 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000066099717 462851928 /nfs/dbraw/zinc/85/19/28/462851928.db2.gz TYBCVAZTBGLEFC-JKSUJKDBSA-N 0 0 339.395 2.339 40 0 EEABRN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000013717315 462902531 /nfs/dbraw/zinc/90/25/31/462902531.db2.gz YJTMRWZQQDCHKG-WOSRLPQWSA-N 0 0 326.396 2.368 40 0 EEABRN Cn1cc([C@]2(C)CN(c3nnc(C(F)(F)F)s3)CCO2)cn1 ZINC000155766533 462940194 /nfs/dbraw/zinc/94/01/94/462940194.db2.gz PYJCUODAUNUEAY-NSHDSACASA-N 0 0 333.339 2.042 40 0 EEABRN O=C(NCC[C@H](O)c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000077111303 462940554 /nfs/dbraw/zinc/94/05/54/462940554.db2.gz FECBCIULTNLHAA-WFASDCNBSA-N 0 0 346.358 2.012 40 0 EEABRN O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015434388 462953143 /nfs/dbraw/zinc/95/31/43/462953143.db2.gz BATMFHYUXIQJDM-UHFFFAOYSA-N 0 0 341.386 2.389 40 0 EEABRN C[C@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[C@@H]1C ZINC000015791493 462963061 /nfs/dbraw/zinc/96/30/61/462963061.db2.gz VAMGWTSCIOYUKH-WOSRLPQWSA-N 0 0 338.473 2.491 40 0 EEABRN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1COc2ccccc2C1 ZINC000077462880 462990390 /nfs/dbraw/zinc/99/03/90/462990390.db2.gz UCDYOPOHDWJDPD-INIZCTEOSA-N 0 0 334.379 2.135 40 0 EEABRN Cc1ccsc1CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000077737956 463033490 /nfs/dbraw/zinc/03/34/90/463033490.db2.gz VZSGEMFMDZPWJN-JOCHJYFZSA-N 0 0 336.438 2.049 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(c2ccccc2F)CC1 ZINC000135271576 463135312 /nfs/dbraw/zinc/13/53/12/463135312.db2.gz KWRNUWNZOWBCAF-CQSZACIVSA-N 0 0 340.402 2.433 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)no1 ZINC000096041907 463146712 /nfs/dbraw/zinc/14/67/12/463146712.db2.gz AGWILQGWEFWYOF-ARFHVFGLSA-N 0 0 333.363 2.328 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048514 463151583 /nfs/dbraw/zinc/15/15/83/463151583.db2.gz NGBZAXIGMKGESN-GUYCJALGSA-N 0 0 346.362 2.085 40 0 EEABRN c1csc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048344 463151692 /nfs/dbraw/zinc/15/16/92/463151692.db2.gz IIUIXBJWAOMLND-CJNGLKHVSA-N 0 0 331.445 2.169 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC000096055466 463158057 /nfs/dbraw/zinc/15/80/57/463158057.db2.gz FWQUZWZOFHFPQI-DJIMGWMZSA-N 0 0 339.395 2.175 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090577 463170068 /nfs/dbraw/zinc/17/00/68/463170068.db2.gz HHUPDTIYRFEZLU-CRAIPNDOSA-N 0 0 346.427 2.331 40 0 EEABRN Cc1ccc(N2CCc3nc(NC(C)C)nc(N(C)C)c3CC2)nn1 ZINC000096083811 463170796 /nfs/dbraw/zinc/17/07/96/463170796.db2.gz BMVRBDXRPNTREF-UHFFFAOYSA-N 0 0 341.463 2.067 40 0 EEABRN Cc1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)no1 ZINC000096109935 463178327 /nfs/dbraw/zinc/17/83/27/463178327.db2.gz FTXZDKNKXOSHBH-INIZCTEOSA-N 0 0 333.432 2.119 40 0 EEABRN O=S(=O)(C1CC1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096109352 463178916 /nfs/dbraw/zinc/17/89/16/463178916.db2.gz FGJNVBOBQGAGIQ-PBHICJAKSA-N 0 0 336.457 2.193 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000096181819 463194609 /nfs/dbraw/zinc/19/46/09/463194609.db2.gz AJQZJXVNDWMGIJ-ROUUACIJSA-N 0 0 342.370 2.040 40 0 EEABRN c1cnc(NCc2cncc3c2CCN(Cc2cccnc2)C3)nc1 ZINC000096189531 463201547 /nfs/dbraw/zinc/20/15/47/463201547.db2.gz WFSFCQWBBZWKME-UHFFFAOYSA-N 0 0 332.411 2.437 40 0 EEABRN Cc1ccoc1C(=O)N1CCn2cc(CN3CCCCC3)nc2C1 ZINC000096197268 463203366 /nfs/dbraw/zinc/20/33/66/463203366.db2.gz ZKCHRFCABMLDLD-UHFFFAOYSA-N 0 0 328.416 2.426 40 0 EEABRN Cc1cc(C)cc(CN2CCn3cc(CN4CCOCC4)nc3C2)c1 ZINC000096197286 463203497 /nfs/dbraw/zinc/20/34/97/463203497.db2.gz RPZWPTRWTOHDAA-UHFFFAOYSA-N 0 0 340.471 2.348 40 0 EEABRN CS(=O)(=O)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096206016 463208719 /nfs/dbraw/zinc/20/87/19/463208719.db2.gz LTLXBFGUGKLQHT-WMZOPIPTSA-N 0 0 346.452 2.353 40 0 EEABRN CC[C@H]1OC[C@H]2CN(S(=O)(=O)c3ccc(C)cc3OC)CC[C@@H]12 ZINC000096207697 463209581 /nfs/dbraw/zinc/20/95/81/463209581.db2.gz GJBRWCCKTGTYAT-RBSFLKMASA-N 0 0 339.457 2.439 40 0 EEABRN CCO[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCO[C@@H]21 ZINC000096217571 463215582 /nfs/dbraw/zinc/21/55/82/463215582.db2.gz UEESXXJZSNVUGN-LESCRADOSA-N 0 0 347.411 2.256 40 0 EEABRN Cc1ccnc(OC[C@@H]2Cn3cncc3CN(Cc3ccoc3)C2)n1 ZINC000096219903 463217700 /nfs/dbraw/zinc/21/77/00/463217700.db2.gz WHUORZLVAQMFSC-INIZCTEOSA-N 0 0 339.399 2.286 40 0 EEABRN Cc1nnc(N2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)s1 ZINC000096220159 463217828 /nfs/dbraw/zinc/21/78/28/463217828.db2.gz CTHYLYCEBIWMRU-CABCVRRESA-N 0 0 344.440 2.105 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096224426 463219491 /nfs/dbraw/zinc/21/94/91/463219491.db2.gz VEFMORQKLZJZLZ-IBGZPJMESA-N 0 0 342.443 2.112 40 0 EEABRN CC(C)CC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096225030 463220804 /nfs/dbraw/zinc/22/08/04/463220804.db2.gz BVFHJODNIIFDTO-SFHVURJKSA-N 0 0 344.415 2.204 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238805 463224424 /nfs/dbraw/zinc/22/44/24/463224424.db2.gz FWOKXNMMJAMMIE-IBGZPJMESA-N 0 0 341.386 2.433 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC2(CC1)COCCN(c1nccs1)C2 ZINC000096240033 463224493 /nfs/dbraw/zinc/22/44/93/463224493.db2.gz UZOFXUFRCXUXMZ-UHFFFAOYSA-N 0 0 346.456 2.230 40 0 EEABRN O=C(c1ccn(C2CCCC2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000028575638 463229108 /nfs/dbraw/zinc/22/91/08/463229108.db2.gz URSKPYWJBPGZBB-UHFFFAOYSA-N 0 0 342.399 2.189 40 0 EEABRN CC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CCN2C ZINC000096263347 463231025 /nfs/dbraw/zinc/23/10/25/463231025.db2.gz DANVRUXLHMKNQP-UHFFFAOYSA-N 0 0 342.418 2.472 40 0 EEABRN Cc1cnc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cn1 ZINC000096408184 463241600 /nfs/dbraw/zinc/24/16/00/463241600.db2.gz CVXLDPVHPPMHJJ-LBPRGKRZSA-N 0 0 348.353 2.395 40 0 EEABRN C[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N(C)c1ccccc1 ZINC000096408935 463242434 /nfs/dbraw/zinc/24/24/34/463242434.db2.gz MVLBBXCQVAZHAN-FATZIPQQSA-N 0 0 339.505 2.358 40 0 EEABRN COCCOCCC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000096409317 463242845 /nfs/dbraw/zinc/24/28/45/463242845.db2.gz VFOUSTABRYDRMA-MRXNPFEDSA-N 0 0 338.423 2.272 40 0 EEABRN CC(C)(C)[S@](=O)CCNC(=O)NCCOc1ccc(F)c(F)c1 ZINC000096408891 463242872 /nfs/dbraw/zinc/24/28/72/463242872.db2.gz SBCLMYRWCBHEQW-QHCPKHFHSA-N 0 0 348.415 2.190 40 0 EEABRN CN(C)[C@H](CNC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1cnn(C)c1 ZINC000096410711 463243597 /nfs/dbraw/zinc/24/35/97/463243597.db2.gz AJKOEPCQAQEUBS-IXDOHACOSA-N 0 0 345.422 2.017 40 0 EEABRN COCc1cccc(C(=O)NCCCNC(=O)c2occc2C)c1 ZINC000096413992 463245790 /nfs/dbraw/zinc/24/57/90/463245790.db2.gz MRWVNVKGAAZXNG-UHFFFAOYSA-N 0 0 330.384 2.284 40 0 EEABRN Cc1cnn(CCC(=O)Nc2cc(CN3CCOCC3)ccc2C)c1 ZINC000096413894 463245906 /nfs/dbraw/zinc/24/59/06/463245906.db2.gz GKVBPDMIYCBSLM-UHFFFAOYSA-N 0 0 342.443 2.361 40 0 EEABRN COc1ccc(Br)cc1CCC(=O)N1CCC[C@@H](O)C1 ZINC000096416890 463248994 /nfs/dbraw/zinc/24/89/94/463248994.db2.gz GKSGPPIQCIBURW-CYBMUJFWSA-N 0 0 342.233 2.374 40 0 EEABRN CS[C@H](CO)[C@H](C)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000096417304 463249029 /nfs/dbraw/zinc/24/90/29/463249029.db2.gz AWDYGEMHVKRDDP-SMDDNHRTSA-N 0 0 329.429 2.316 40 0 EEABRN O=C(CCCc1nc(C2CC2)no1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000096416908 463249085 /nfs/dbraw/zinc/24/90/85/463249085.db2.gz SEXMPKHUDPJLTF-AWEZNQCLSA-N 0 0 345.403 2.284 40 0 EEABRN Cc1ccc(C[C@@H](C)NC(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)c1 ZINC000096417748 463249425 /nfs/dbraw/zinc/24/94/25/463249425.db2.gz PVOSIXKTEPLIQL-CABCVRRESA-N 0 0 338.473 2.063 40 0 EEABRN NC(=O)[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417567 463249476 /nfs/dbraw/zinc/24/94/76/463249476.db2.gz MXGZOCODQINMMG-JKSUJKDBSA-N 0 0 343.814 2.262 40 0 EEABRN O=C(NCCc1cc2ccccc2o1)c1sccc1-n1cnnn1 ZINC000096417061 463249511 /nfs/dbraw/zinc/24/95/11/463249511.db2.gz ZZECXPIOFVNVDP-UHFFFAOYSA-N 0 0 339.380 2.443 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000096417801 463250441 /nfs/dbraw/zinc/25/04/41/463250441.db2.gz SECNBWDIDVSXEK-ZDUSSCGKSA-N 0 0 333.407 2.167 40 0 EEABRN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Cl)c1F ZINC000096420348 463251802 /nfs/dbraw/zinc/25/18/02/463251802.db2.gz SBVHWSOMOYNABZ-BXKDBHETSA-N 0 0 328.771 2.085 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccoc1C)CC2 ZINC000096423944 463254254 /nfs/dbraw/zinc/25/42/54/463254254.db2.gz USMZOTGOQFAJEK-UHFFFAOYSA-N 0 0 334.397 2.089 40 0 EEABRN CCn1nc(C)c(C(=O)NCCC(=O)Nc2cccc(C)n2)c1Cl ZINC000096426308 463255591 /nfs/dbraw/zinc/25/55/91/463255591.db2.gz AEBJRUBCRNXVFE-UHFFFAOYSA-N 0 0 349.822 2.327 40 0 EEABRN COCCCCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000096427734 463256875 /nfs/dbraw/zinc/25/68/75/463256875.db2.gz ZYCUYRIWOFYTDB-UHFFFAOYSA-N 0 0 340.214 2.293 40 0 EEABRN O=S(=O)(Cc1ccon1)N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000096427901 463258092 /nfs/dbraw/zinc/25/80/92/463258092.db2.gz QYWNQOLGPHWCHA-MRXNPFEDSA-N 0 0 347.371 2.418 40 0 EEABRN Cc1nnc(CNC(=O)[C@@H](C)c2ccc(Br)s2)n1C ZINC000096430922 463260122 /nfs/dbraw/zinc/26/01/22/463260122.db2.gz QMSBLQDUSKJLQS-ZETCQYMHSA-N 0 0 343.250 2.367 40 0 EEABRN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCCSCC1 ZINC000096436143 463263649 /nfs/dbraw/zinc/26/36/49/463263649.db2.gz ATJBJDBSEWKIIV-KRWDZBQOSA-N 0 0 334.485 2.243 40 0 EEABRN Cc1nc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)oc1C ZINC000096436194 463263687 /nfs/dbraw/zinc/26/36/87/463263687.db2.gz WNSPCJJMIONONY-QGZVFWFLSA-N 0 0 343.427 2.199 40 0 EEABRN NC(=O)[C@@H](NCc1ccccn1)c1ccc(Br)cc1F ZINC000096436805 463265022 /nfs/dbraw/zinc/26/50/22/463265022.db2.gz FZENMTVQGHJLCS-ZDUSSCGKSA-N 0 0 338.180 2.299 40 0 EEABRN C[S@@](=O)CCNC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000096440349 463267388 /nfs/dbraw/zinc/26/73/88/463267388.db2.gz DKYDBZDNDJEURH-ASSNKEHSSA-N 0 0 326.487 2.189 40 0 EEABRN CCOc1ncccc1NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000096445893 463271150 /nfs/dbraw/zinc/27/11/50/463271150.db2.gz BFVIWROTFKGKBS-CYBMUJFWSA-N 0 0 329.404 2.310 40 0 EEABRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000096450369 463271947 /nfs/dbraw/zinc/27/19/47/463271947.db2.gz RIZKCYLQTMJZPA-PXAZEXFGSA-N 0 0 338.473 2.157 40 0 EEABRN O=C1[C@@H](Sc2nncn2CCc2cccs2)CCN1C1CC1 ZINC000096452431 463272690 /nfs/dbraw/zinc/27/26/90/463272690.db2.gz ZLOBMBGAUUCMEJ-ZDUSSCGKSA-N 0 0 334.470 2.438 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNc1c(F)cccc1-n1cccn1 ZINC000096452716 463272700 /nfs/dbraw/zinc/27/27/00/463272700.db2.gz NQHRCPUGYWNHBG-UHFFFAOYSA-N 0 0 330.285 2.444 40 0 EEABRN O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCCSC1 ZINC000096452360 463273018 /nfs/dbraw/zinc/27/30/18/463273018.db2.gz QLSJBLAGGHATHM-LHSJRXKWSA-N 0 0 326.487 2.130 40 0 EEABRN C[C@H](N1CCN(c2ccccc2S(C)(=O)=O)CC1)C(F)(F)F ZINC000096453772 463273974 /nfs/dbraw/zinc/27/39/74/463273974.db2.gz JZXRZKPPMOCHRV-NSHDSACASA-N 0 0 336.379 2.163 40 0 EEABRN Cc1ccnc2nc(C(=O)NC[C@@H]3SCCc4ccccc43)nn21 ZINC000096454669 463274497 /nfs/dbraw/zinc/27/44/97/463274497.db2.gz FALKLWBLGAPCTE-AWEZNQCLSA-N 0 0 339.424 2.193 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096455994 463275677 /nfs/dbraw/zinc/27/56/77/463275677.db2.gz OMQVHVCQMXPNOZ-AWEZNQCLSA-N 0 0 346.818 2.400 40 0 EEABRN COCC[C@@H](C)NC(=O)Cc1cccc(I)c1 ZINC000096472338 463278542 /nfs/dbraw/zinc/27/85/42/463278542.db2.gz SMNJQFZRQKJVFW-SNVBAGLBSA-N 0 0 347.196 2.375 40 0 EEABRN Cc1cc(C)c(C(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)[nH]1 ZINC000096472174 463279192 /nfs/dbraw/zinc/27/91/92/463279192.db2.gz BSIIYVDJDIJTTN-UHFFFAOYSA-N 0 0 343.402 2.298 40 0 EEABRN Cc1ncsc1CNc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 ZINC000096483179 463280847 /nfs/dbraw/zinc/28/08/47/463280847.db2.gz PGVSVCADQNFIKB-LBPRGKRZSA-N 0 0 331.445 2.160 40 0 EEABRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCS(=O)(=O)N(C)C)o1 ZINC000096487396 463285236 /nfs/dbraw/zinc/28/52/36/463285236.db2.gz FFOVJCFPMKTQHX-OCCSQVGLSA-N 0 0 342.461 2.169 40 0 EEABRN Cc1cccc(OCC(=O)N2CCN(CC3=CCCOC3)CC2)c1C ZINC000096489901 463286398 /nfs/dbraw/zinc/28/63/98/463286398.db2.gz NAAUNZXAQRSDHZ-UHFFFAOYSA-N 0 0 344.455 2.173 40 0 EEABRN CNC(=O)[C@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccccc1 ZINC000096494598 463289451 /nfs/dbraw/zinc/28/94/51/463289451.db2.gz MOXKOZDFHHGPPB-GOSISDBHSA-N 0 0 348.406 2.154 40 0 EEABRN C[C@H](CN(C)C(=O)NCc1cccc(C(N)=O)c1)c1nccs1 ZINC000096502063 463292922 /nfs/dbraw/zinc/29/29/22/463292922.db2.gz IBMXAUPVWYCTBC-LLVKDONJSA-N 0 0 332.429 2.187 40 0 EEABRN Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NS(C)(=O)=O ZINC000030857938 463313675 /nfs/dbraw/zinc/31/36/75/463313675.db2.gz SWEJIGDUJOWDNZ-UHFFFAOYSA-N 0 0 336.388 2.436 40 0 EEABRN CN(CC(=O)Nc1cc(F)cc(F)c1)c1cc(=O)n2ccccc2n1 ZINC000097104608 463325320 /nfs/dbraw/zinc/32/53/20/463325320.db2.gz ZVEYZQNFCGUFLH-UHFFFAOYSA-N 0 0 344.321 2.048 40 0 EEABRN COc1cc(C)c(S(=O)(=O)CC(=O)Nc2ccccc2)cc1OC ZINC000069885174 463344439 /nfs/dbraw/zinc/34/44/39/463344439.db2.gz ZNSGCPQPTQVBBB-UHFFFAOYSA-N 0 0 349.408 2.425 40 0 EEABRN O=C(OC[C@H]1CCC(=O)N1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000097233183 463350936 /nfs/dbraw/zinc/35/09/36/463350936.db2.gz ZVNZODUMQZVKRJ-CQSZACIVSA-N 0 0 335.363 2.461 40 0 EEABRN Cc1nccc(N2CCN(C(=O)NCCCCC(F)(F)F)CC2)n1 ZINC000097376490 463356583 /nfs/dbraw/zinc/35/65/83/463356583.db2.gz DMHXCNURRIHXAM-UHFFFAOYSA-N 0 0 345.369 2.349 40 0 EEABRN CCCCOC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 ZINC000070462561 463376287 /nfs/dbraw/zinc/37/62/87/463376287.db2.gz GXHMWLZNTQIASM-UHFFFAOYSA-N 0 0 341.824 2.336 40 0 EEABRN CN1C(SCc2ccccc2Cl)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508660 463380060 /nfs/dbraw/zinc/38/00/60/463380060.db2.gz CHQNNBHWCNYKOY-NEPJUHHUSA-N 0 0 330.862 2.040 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000081294473 463415336 /nfs/dbraw/zinc/41/53/36/463415336.db2.gz UXDDDZIAPFXGBD-IOASZLSFSA-N 0 0 336.457 2.343 40 0 EEABRN COc1ccc(-c2nn3c([nH]c(=O)cc3O)c2Br)cc1 ZINC000104809016 463425053 /nfs/dbraw/zinc/42/50/53/463425053.db2.gz GORAWFDMVMEOLC-UHFFFAOYSA-N 0 0 336.145 2.304 40 0 EEABRN CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161573746 463440709 /nfs/dbraw/zinc/44/07/09/463440709.db2.gz FNNLLFZLLNAZNU-NSHDSACASA-N 0 0 329.404 2.454 40 0 EEABRN CCc1noc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000041122400 463468742 /nfs/dbraw/zinc/46/87/42/463468742.db2.gz FZHIMKCFCPGUQH-CYBMUJFWSA-N 0 0 343.383 2.423 40 0 EEABRN CCn1nc(C)c2c1cnn2CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000057279095 463474652 /nfs/dbraw/zinc/47/46/52/463474652.db2.gz GXGZRTQLTSCFAI-HZPDHXFCSA-N 0 0 337.427 2.481 40 0 EEABRN C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000162084316 463482534 /nfs/dbraw/zinc/48/25/34/463482534.db2.gz PTLCSXVAWQHKBS-UHFFFAOYSA-N 0 0 330.215 2.096 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1cncc(Br)c1N ZINC000072210863 463482689 /nfs/dbraw/zinc/48/26/89/463482689.db2.gz YICIUMWJYZTJMJ-UHFFFAOYSA-N 0 0 342.218 2.251 40 0 EEABRN CC(=O)N1CCN(c2ncc([C@@H](O)c3ccccc3)cc2C)CC1 ZINC000072222694 463483888 /nfs/dbraw/zinc/48/38/88/463483888.db2.gz BEOSVKJQCUIFAQ-SFHVURJKSA-N 0 0 325.412 2.140 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)n2nc(-c3cccs3)cc(N)c2=O)no1 ZINC000057759838 463517384 /nfs/dbraw/zinc/51/73/84/463517384.db2.gz ZDVGFPCMOMTBEY-SECBINFHSA-N 0 0 345.384 2.050 40 0 EEABRN CCO[C@@H]1COC2(C1)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000107192872 463560844 /nfs/dbraw/zinc/56/08/44/463560844.db2.gz VYQVSTMLBMKREU-HNNXBMFYSA-N 0 0 339.457 2.344 40 0 EEABRN CCO[C@H]1COC2(C1)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000107192874 463561827 /nfs/dbraw/zinc/56/18/27/463561827.db2.gz VYQVSTMLBMKREU-OAHLLOKOSA-N 0 0 339.457 2.344 40 0 EEABRN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O ZINC000043646045 463650223 /nfs/dbraw/zinc/65/02/23/463650223.db2.gz SUJKIRIBNZEYFA-KFWWJZLASA-N 0 0 346.427 2.173 40 0 EEABRN Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)CCO3)sc1C ZINC000152218121 463663046 /nfs/dbraw/zinc/66/30/46/463663046.db2.gz PATDKNYHJAANIR-UHFFFAOYSA-N 0 0 338.454 2.216 40 0 EEABRN CC(C)n1nccc1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000044875116 463697806 /nfs/dbraw/zinc/69/78/06/463697806.db2.gz LEMLDOBCPWOHQN-UHFFFAOYSA-N 0 0 327.432 2.225 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000044895938 463699712 /nfs/dbraw/zinc/69/97/12/463699712.db2.gz HLRFYCYJLUDMSI-RYUDHWBXSA-N 0 0 335.448 2.063 40 0 EEABRN CC(C)c1nc(C2(NC(=O)c3cnn4ccncc34)CCCC2)no1 ZINC000193436335 463712828 /nfs/dbraw/zinc/71/28/28/463712828.db2.gz IIBNYTVHVYBZOW-UHFFFAOYSA-N 0 0 340.387 2.435 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1csc(C)n1 ZINC000257280567 463760373 /nfs/dbraw/zinc/76/03/73/463760373.db2.gz OLJYNMWPRPKIFU-HNNXBMFYSA-N 0 0 331.441 2.176 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000257286609 463763276 /nfs/dbraw/zinc/76/32/76/463763276.db2.gz PMFMCLDBYUEWMW-QGZVFWFLSA-N 0 0 336.395 2.358 40 0 EEABRN CC(C)c1cc(C(=O)N2CCO[C@H](c3nccnc3N)C2)cs1 ZINC000257291134 463764690 /nfs/dbraw/zinc/76/46/90/463764690.db2.gz QFUQAJXHEXCPTG-LBPRGKRZSA-N 0 0 332.429 2.457 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000257312878 463773770 /nfs/dbraw/zinc/77/37/70/463773770.db2.gz UPZSAXLXPKYIGU-LBPRGKRZSA-N 0 0 339.486 2.329 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(C(=O)c3cncs3)CCO2)ccn1 ZINC000257315219 463774535 /nfs/dbraw/zinc/77/45/35/463774535.db2.gz VAKRUBBEGYBGQV-AWEZNQCLSA-N 0 0 346.456 2.078 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257324129 463777778 /nfs/dbraw/zinc/77/77/78/463777778.db2.gz WNHKJMGBSOIROA-CQSZACIVSA-N 0 0 340.427 2.338 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000276844863 463779017 /nfs/dbraw/zinc/77/90/17/463779017.db2.gz CSRPYDGKSUMPCM-LBPRGKRZSA-N 0 0 335.347 2.240 40 0 EEABRN Cc1ncoc1C(=O)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257326462 463779877 /nfs/dbraw/zinc/77/98/77/463779877.db2.gz WXHSDGYFPFZDFJ-LBPRGKRZSA-N 0 0 327.344 2.099 40 0 EEABRN CNC(=O)c1cc(C[C@H]2CCCN(c3ccc(F)cn3)C2)nc(C)n1 ZINC000257331450 463781173 /nfs/dbraw/zinc/78/11/73/463781173.db2.gz XSWUMOMWCBAFAQ-CYBMUJFWSA-N 0 0 343.406 2.138 40 0 EEABRN C[C@@]1(c2ncc(CNC(=O)CCCn3cccn3)cn2)CCCCO1 ZINC000257335054 463782065 /nfs/dbraw/zinc/78/20/65/463782065.db2.gz YIMZPDDFVIADLX-SFHVURJKSA-N 0 0 343.431 2.185 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)[C@H]2CCCc3ccccc32)n(C)n1 ZINC000194410152 463856313 /nfs/dbraw/zinc/85/63/13/463856313.db2.gz CWYMEABRTPHOHR-HNNXBMFYSA-N 0 0 347.440 2.159 40 0 EEABRN C[C@@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ncon1 ZINC000194532786 463878691 /nfs/dbraw/zinc/87/86/91/463878691.db2.gz AJRHFDNYZYSBIX-HQJQHLMTSA-N 0 0 338.161 2.013 40 0 EEABRN COc1ncnc(OC)c1C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000172008070 463967772 /nfs/dbraw/zinc/96/77/72/463967772.db2.gz HVDADLFEYZGINY-UHFFFAOYSA-N 0 0 335.791 2.462 40 0 EEABRN C[C@H]1C[C@@H]1N1C[C@@H](NC(=O)c2sccc2Br)CC1=O ZINC000195531127 464071748 /nfs/dbraw/zinc/07/17/48/464071748.db2.gz FLMLOHAQWZDIQP-NRPADANISA-N 0 0 343.246 2.250 40 0 EEABRN Cc1cc(F)c(Br)cc1NC(=O)c1ccc(=O)n(C)n1 ZINC000195579052 464080288 /nfs/dbraw/zinc/08/02/88/464080288.db2.gz CQLKHUDNUMXBDQ-UHFFFAOYSA-N 0 0 340.152 2.243 40 0 EEABRN Cn1nc(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)ccc1=O ZINC000187357165 464120703 /nfs/dbraw/zinc/12/07/03/464120703.db2.gz MPJWVFLDZRPUBZ-UHFFFAOYSA-N 0 0 344.802 2.063 40 0 EEABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222904012 464134251 /nfs/dbraw/zinc/13/42/51/464134251.db2.gz UWWNQNVXFNONIK-CJNGLKHVSA-N 0 0 336.407 2.248 40 0 EEABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCOCC1 ZINC000223344629 464140518 /nfs/dbraw/zinc/14/05/18/464140518.db2.gz KSRVKVDODPYTDR-INIZCTEOSA-N 0 0 346.471 2.171 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(N)=O)cc1 ZINC000223396353 464142525 /nfs/dbraw/zinc/14/25/25/464142525.db2.gz LDBYGYQFOXJIBB-UHFFFAOYSA-N 0 0 336.438 2.089 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NCCCn1ccnc1)CCCC2 ZINC000223718977 464147184 /nfs/dbraw/zinc/14/71/84/464147184.db2.gz TXRDVKULYRKCDV-UHFFFAOYSA-N 0 0 349.456 2.139 40 0 EEABRN Cc1ccccc1OCCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000224073448 464148763 /nfs/dbraw/zinc/14/87/63/464148763.db2.gz TUGIMMOUEUFSGT-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225224951 464154367 /nfs/dbraw/zinc/15/43/67/464154367.db2.gz FDCTZFKVUWTUEU-WDEREUQCSA-N 0 0 348.415 2.280 40 0 EEABRN COc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 ZINC000225433320 464159160 /nfs/dbraw/zinc/15/91/60/464159160.db2.gz SUINAXFDPPVSMQ-ZDUSSCGKSA-N 0 0 338.367 2.260 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)c1 ZINC000225425364 464159705 /nfs/dbraw/zinc/15/97/05/464159705.db2.gz XQIOBMKWMMRVPW-MRXNPFEDSA-N 0 0 327.384 2.016 40 0 EEABRN C[C@@H](CCNC(=O)N1CCOC[C@H]1c1ncnn1C)CC(C)(C)C ZINC000225461486 464162411 /nfs/dbraw/zinc/16/24/11/464162411.db2.gz BWSUZVUVRHYFSK-KBPBESRZSA-N 0 0 337.468 2.360 40 0 EEABRN COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3nc(C)[nH]c3C1)C2 ZINC000225516004 464167594 /nfs/dbraw/zinc/16/75/94/464167594.db2.gz LCFRZSLYQVQHNR-CQSZACIVSA-N 0 0 325.412 2.417 40 0 EEABRN CCO[C@@H](C)c1nc(CN(C)c2nc3c(cnn3C)c(N)n2)cs1 ZINC000225512825 464168226 /nfs/dbraw/zinc/16/82/26/464168226.db2.gz LFWYOGDFNAQNSI-VIFPVBQESA-N 0 0 347.448 2.136 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1OC ZINC000225582310 464173276 /nfs/dbraw/zinc/17/32/76/464173276.db2.gz YZSCQQSLSPWSMJ-UHFFFAOYSA-N 0 0 347.392 2.186 40 0 EEABRN Cc1cc(C)n(-c2ccc(N3CCC[C@@H]3Cn3ccnc3C)nn2)n1 ZINC000225598113 464175146 /nfs/dbraw/zinc/17/51/46/464175146.db2.gz ALMATAAAARHONF-MRXNPFEDSA-N 0 0 337.431 2.453 40 0 EEABRN CCc1c(C(=O)N[C@H]2CCC(=O)NC2)cnn1-c1ccccc1Cl ZINC000225628660 464176815 /nfs/dbraw/zinc/17/68/15/464176815.db2.gz QYQNRACNOFLCBR-NSHDSACASA-N 0 0 346.818 2.097 40 0 EEABRN C[C@H](O)c1ccc(C2(CNC(=O)c3cn(C)nn3)CCCC2)s1 ZINC000225682689 464179318 /nfs/dbraw/zinc/17/93/18/464179318.db2.gz BTEIKRFDOMXESX-NSHDSACASA-N 0 0 334.445 2.172 40 0 EEABRN COC(C)(C)CNC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000188291611 464245515 /nfs/dbraw/zinc/24/55/15/464245515.db2.gz FAYFKRDPHREVNV-UHFFFAOYSA-N 0 0 338.358 2.068 40 0 EEABRN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2sccc2Cl)cn1 ZINC000241368010 464451899 /nfs/dbraw/zinc/45/18/99/464451899.db2.gz MJHYYRVDIDZLLE-GFCCVEGCSA-N 0 0 345.877 2.107 40 0 EEABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000244373217 464460763 /nfs/dbraw/zinc/46/07/63/464460763.db2.gz YABMZBCZAJXLLX-UHFFFAOYSA-N 0 0 348.443 2.328 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(O[C@H]2CCOC2)c1 ZINC000245020875 464466813 /nfs/dbraw/zinc/46/68/13/464466813.db2.gz MLFXVVMZAGHLGP-AWEZNQCLSA-N 0 0 342.351 2.273 40 0 EEABRN C[S@](=O)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000245338863 464471471 /nfs/dbraw/zinc/47/14/71/464471471.db2.gz OYVCANJCZFNOQY-YEAUUJKJSA-N 0 0 334.363 2.239 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000175478590 464558321 /nfs/dbraw/zinc/55/83/21/464558321.db2.gz PDDSFHINBNQRSP-CYBMUJFWSA-N 0 0 349.460 2.279 40 0 EEABRN CC[C@@H](C)CC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000190382927 464632712 /nfs/dbraw/zinc/63/27/12/464632712.db2.gz HIEZSMPFKAXYGC-GFCCVEGCSA-N 0 0 342.436 2.418 40 0 EEABRN O=C([C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1)N1CCC[C@H](O)C1 ZINC000247846474 464708936 /nfs/dbraw/zinc/70/89/36/464708936.db2.gz DSNPBMKSPWLAQN-XZJWWLTNSA-N 0 0 341.407 2.030 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NC1CC1)CN(Cc1cccc3[nH]ccc31)C2 ZINC000248007328 464723167 /nfs/dbraw/zinc/72/31/67/464723167.db2.gz CPCOSIVWWHIDSI-MRXNPFEDSA-N 0 0 349.438 2.279 40 0 EEABRN COC(=O)[C@H]1CCN(Cc2ccc3ccccc3n2)[C@H](C(=O)OC)C1 ZINC000183121182 464802158 /nfs/dbraw/zinc/80/21/58/464802158.db2.gz SSRKADCHAXYAGD-YOEHRIQHSA-N 0 0 342.395 2.161 40 0 EEABRN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@H]1CC(c2cccnc2)=NO1 ZINC000249615167 464900161 /nfs/dbraw/zinc/90/01/61/464900161.db2.gz OWGLQNWQPVTENA-DJIMGWMZSA-N 0 0 339.399 2.071 40 0 EEABRN CCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 ZINC000249694265 464904437 /nfs/dbraw/zinc/90/44/37/464904437.db2.gz OSBLSNVWRWUYLA-GOEBONIOSA-N 0 0 340.420 2.216 40 0 EEABRN CCOc1cc([C@@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@H]2C(C)=O)ccc1O ZINC000250397765 464929231 /nfs/dbraw/zinc/92/92/31/464929231.db2.gz PQMGQTRRHVSPIP-AKHDSKFASA-N 0 0 348.395 2.009 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000192462066 464929865 /nfs/dbraw/zinc/92/98/65/464929865.db2.gz RFYDPVHSGDYQRY-LBPRGKRZSA-N 0 0 344.502 2.288 40 0 EEABRN Cc1nc2ccc(NC(=O)[C@H]3COCCN3CC(F)(F)F)cc2o1 ZINC000252500921 464972332 /nfs/dbraw/zinc/97/23/32/464972332.db2.gz TZJGVOQSBJHKPE-GFCCVEGCSA-N 0 0 343.305 2.338 40 0 EEABRN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1[C@H]1CCCC[C@@H]1O ZINC000252548609 464983172 /nfs/dbraw/zinc/98/31/72/464983172.db2.gz QGWSBBPVQZQHIV-HUBLWGQQSA-N 0 0 342.317 2.300 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC000253203445 464990392 /nfs/dbraw/zinc/99/03/92/464990392.db2.gz HDOMEQXCCDDYOY-PMPSAXMXSA-N 0 0 347.459 2.124 40 0 EEABRN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000253370753 464994357 /nfs/dbraw/zinc/99/43/57/464994357.db2.gz VNUUHMCUVOOJHV-FCLUMBPUSA-N 0 0 330.428 2.017 40 0 EEABRN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cnc(C)cn1 ZINC000253398385 465001642 /nfs/dbraw/zinc/00/16/42/465001642.db2.gz MDDOOFLOAVNVAF-UHFFFAOYSA-N 0 0 333.775 2.254 40 0 EEABRN COC(=O)[C@]12CN(C(=O)NCCc3nccs3)C[C@H]1CCCC2 ZINC000253416276 465004372 /nfs/dbraw/zinc/00/43/72/465004372.db2.gz NSVUBVUCIXDFCE-MLGOLLRUSA-N 0 0 337.445 2.060 40 0 EEABRN COCc1nc2n(n1)C[C@H](NC(=O)c1scc(C)c1Cl)CC2 ZINC000253428770 465012303 /nfs/dbraw/zinc/01/23/03/465012303.db2.gz DZSFYGYAVCKGJC-SECBINFHSA-N 0 0 340.836 2.193 40 0 EEABRN CC[C@@H]1CN(S(=O)(=O)c2cccc3c2OCC3)C[C@@H](CC)O1 ZINC000331819534 466258244 /nfs/dbraw/zinc/25/82/44/466258244.db2.gz OFUFNISOCUDUGP-ZIAGYGMSSA-N 0 0 325.430 2.200 40 0 EEABRN Cc1cc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)c(C)o1 ZINC000306124450 466487769 /nfs/dbraw/zinc/48/77/69/466487769.db2.gz BPVYPUWFOYFMEA-USXIJHARSA-N 0 0 341.411 2.491 40 0 EEABRN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 ZINC000408566017 466681080 /nfs/dbraw/zinc/68/10/80/466681080.db2.gz DOUNZHACZPHBMP-UHFFFAOYSA-N 0 0 342.395 2.400 40 0 EEABRN Cn1ccc([C@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC000390830284 467413036 /nfs/dbraw/zinc/41/30/36/467413036.db2.gz JYDJSJIXGTZUAT-NSHDSACASA-N 0 0 341.383 2.267 40 0 EEABRN CCN(CC)C(=O)N1CCC(c2nc(-c3nccn3C)no2)CC1 ZINC000390833577 467414106 /nfs/dbraw/zinc/41/41/06/467414106.db2.gz JPXVNECKBDZLBM-UHFFFAOYSA-N 0 0 332.408 2.111 40 0 EEABRN COC(=O)C[C@@H](NS(=O)(=O)c1ccsc1)c1ccc(F)cc1 ZINC000390834660 467414863 /nfs/dbraw/zinc/41/48/63/467414863.db2.gz MBTAGSOQEIIJAU-CYBMUJFWSA-N 0 0 343.401 2.470 40 0 EEABRN CO[C@@H]1CSC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 ZINC000575402328 468140534 /nfs/dbraw/zinc/14/05/34/468140534.db2.gz APPFYQPGUOWCJF-HNNXBMFYSA-N 0 0 333.453 2.287 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406401 468142600 /nfs/dbraw/zinc/14/26/00/468142600.db2.gz OOCGKPQQCFHBBL-JFMONLCZSA-N 0 0 330.428 2.118 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575605593 468145517 /nfs/dbraw/zinc/14/55/17/468145517.db2.gz LJQSNBLBMUKNLI-CYBMUJFWSA-N 0 0 349.822 2.082 40 0 EEABRN O=S(=O)(CCC(F)(F)F)NCCn1cc(-c2ccco2)cn1 ZINC000575606987 468146424 /nfs/dbraw/zinc/14/64/24/468146424.db2.gz SKDNWBCXVRXXLW-UHFFFAOYSA-N 0 0 337.323 2.015 40 0 EEABRN Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COc2ccccn2)no1 ZINC000585094716 468963098 /nfs/dbraw/zinc/96/30/98/468963098.db2.gz ITCGJOSMILEXMV-OAHLLOKOSA-N 0 0 339.399 2.117 40 0 EEABRN CCCCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585096132 468964608 /nfs/dbraw/zinc/96/46/08/468964608.db2.gz TWKHUUVYWWQINB-HNNXBMFYSA-N 0 0 346.456 2.335 40 0 EEABRN CC(C)CC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585095945 468964749 /nfs/dbraw/zinc/96/47/49/468964749.db2.gz FZUXLMJEHDRLSA-HNNXBMFYSA-N 0 0 346.456 2.190 40 0 EEABRN C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1 ZINC000585098104 468967567 /nfs/dbraw/zinc/96/75/67/468967567.db2.gz UFWVUSAXLGDUBR-GFCCVEGCSA-N 0 0 339.355 2.062 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccsc1)C2 ZINC000585103035 468970623 /nfs/dbraw/zinc/97/06/23/468970623.db2.gz OKZBGFQBKBWDGL-WMLDXEAASA-N 0 0 336.457 2.143 40 0 EEABRN CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1=O ZINC000585106728 468972204 /nfs/dbraw/zinc/97/22/04/468972204.db2.gz GQOGJYRHTQWCKF-MAUKXSAKSA-N 0 0 330.403 2.353 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111358 468974473 /nfs/dbraw/zinc/97/44/73/468974473.db2.gz QGWAYBNFXZBUBW-ZYHUDNBSSA-N 0 0 335.358 2.182 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)c1ccco1 ZINC000585111870 468975009 /nfs/dbraw/zinc/97/50/09/468975009.db2.gz DKWQSXRBXCGTQZ-CQSZACIVSA-N 0 0 340.383 2.446 40 0 EEABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccccn1 ZINC000585111263 468975409 /nfs/dbraw/zinc/97/54/09/468975409.db2.gz LTRXJRVSBNHYPY-SFHVURJKSA-N 0 0 348.406 2.370 40 0 EEABRN C[C@@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)N1CCCC1=O ZINC000585140985 468989921 /nfs/dbraw/zinc/98/99/21/468989921.db2.gz NNQZIXKZQJASKI-HNAYVOBHSA-N 0 0 330.428 2.162 40 0 EEABRN CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Nc2cccnc2)n1 ZINC000585141376 468990031 /nfs/dbraw/zinc/99/00/31/468990031.db2.gz TXSPFWRHZAYPEP-LBPRGKRZSA-N 0 0 346.391 2.285 40 0 EEABRN CCOC(=O)c1cnc(N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)nc1C ZINC000585141717 468991221 /nfs/dbraw/zinc/99/12/21/468991221.db2.gz FKZWEUAAYSNYTE-UKRRQHHQSA-N 0 0 345.403 2.027 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1Cc1ccc(F)cc1 ZINC000585269422 468997189 /nfs/dbraw/zinc/99/71/89/468997189.db2.gz SWCGJZSKRAKJMM-IRXDYDNUSA-N 0 0 331.391 2.422 40 0 EEABRN O=C(CCCn1ccnc1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585276204 469000413 /nfs/dbraw/zinc/00/04/13/469000413.db2.gz LBNDTIWWKVCPGF-AEFFLSMTSA-N 0 0 345.418 2.255 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585276383 469000437 /nfs/dbraw/zinc/00/04/37/469000437.db2.gz JDWSQZXUUPSEIN-SFHVURJKSA-N 0 0 348.374 2.361 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276275 469000591 /nfs/dbraw/zinc/00/05/91/469000591.db2.gz HRFSNYXBZCUTME-IBGZPJMESA-N 0 0 343.427 2.429 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585277012 469002031 /nfs/dbraw/zinc/00/20/31/469002031.db2.gz LBZIOUUOGJCXKQ-LJQANCHMSA-N 0 0 343.427 2.429 40 0 EEABRN Cc1cc(C)nc(N2CCO[C@](CO)(Cc3cccc(F)c3)C2)n1 ZINC000585278088 469003741 /nfs/dbraw/zinc/00/37/41/469003741.db2.gz ZLJLDARDHIDPNC-GOSISDBHSA-N 0 0 331.391 2.043 40 0 EEABRN CO[C@@H]1CN(C(=O)c2nccn2C)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585279500 469006578 /nfs/dbraw/zinc/00/65/78/469006578.db2.gz NDECWRIOTBIQTL-IAGOWNOFSA-N 0 0 327.428 2.448 40 0 EEABRN COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292034 469011151 /nfs/dbraw/zinc/01/11/51/469011151.db2.gz WDHOXIXTZWOQLB-ATZDWAIDSA-N 0 0 344.411 2.111 40 0 EEABRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000187070982 534052087 /nfs/dbraw/zinc/05/20/87/534052087.db2.gz WQEXICNFDAZYTP-XHDPSFHLSA-N 0 0 347.802 2.036 40 0 EEABRN CC(C)(C)CN1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211587 534604339 /nfs/dbraw/zinc/60/43/39/534604339.db2.gz BZKWARJLSMWQIU-CQSZACIVSA-N 0 0 328.420 2.430 40 0 EEABRN C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCOC[C@@H]1CCCO1 ZINC000096406824 524885644 /nfs/dbraw/zinc/88/56/44/524885644.db2.gz ZDQMKQOEISAQQG-STQMWFEESA-N 0 0 342.386 2.391 40 0 EEABRN Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 ZINC000096443159 525469736 /nfs/dbraw/zinc/46/97/36/525469736.db2.gz CYILARCODLXTEY-RHSMWYFYSA-N 0 0 330.428 2.280 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@H]3CCOCc2ccncc2)nc1 ZINC000247502049 526421743 /nfs/dbraw/zinc/42/17/43/526421743.db2.gz FSZSBEVLYULQCM-OAHLLOKOSA-N 0 0 344.390 2.213 40 0 EEABRN CCNC(=O)N1CC[C@H](NC(=O)c2cc(Cl)ccc2NCC)C1 ZINC000190592943 528153718 /nfs/dbraw/zinc/15/37/18/528153718.db2.gz NYVUAZQACVLCRV-LBPRGKRZSA-N 0 0 338.839 2.305 40 0 EEABRN CC(C)COc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1 ZINC000408707421 528155937 /nfs/dbraw/zinc/15/59/37/528155937.db2.gz AMGZBFDRCQBZRA-UHFFFAOYSA-N 0 0 341.411 2.414 40 0 EEABRN CC(C)N1CC[C@@H](S(=O)(=O)c2cccc(C(F)(F)F)c2)C1=O ZINC000189349695 529071499 /nfs/dbraw/zinc/07/14/99/529071499.db2.gz OGNOYPYPDPGJKH-GFCCVEGCSA-N 0 0 335.347 2.488 40 0 EEABRN CCCCc1nc(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c[nH]1 ZINC000257237253 535102336 /nfs/dbraw/zinc/10/23/36/535102336.db2.gz HFTLVLRJYZEDFI-OAHLLOKOSA-N 0 0 331.420 2.130 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1 ZINC000257259971 535426845 /nfs/dbraw/zinc/42/68/45/535426845.db2.gz LAUYYQCSGCXKRX-AEFFLSMTSA-N 0 0 340.427 2.068 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](Cc3cccnc3)C2)c1C ZINC000257266026 535828656 /nfs/dbraw/zinc/82/86/56/535828656.db2.gz MBHCLTKAVONAPO-MRXNPFEDSA-N 0 0 348.472 2.250 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H](C)C[S@](C)=O ZINC000248640047 536973029 /nfs/dbraw/zinc/97/30/29/536973029.db2.gz LYPOOONPOOTHNM-QNXDBWELSA-N 0 0 338.473 2.181 40 0 EEABRN COc1ccccc1OCC(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257273106 537088730 /nfs/dbraw/zinc/08/87/30/537088730.db2.gz NFHJGOZRJARDMS-LPHOPBHVSA-N 0 0 346.427 2.124 40 0 EEABRN O=C(Cc1cccc(C(F)(F)F)n1)N1CCO[C@@]2(CCCOC2)C1 ZINC000935915965 682433499 /nfs/dbraw/zinc/43/34/99/682433499.db2.gz PGUIIPUWGIILLI-HNNXBMFYSA-N 0 0 344.333 2.051 40 0 EEABRN O=c1[nH]c(N2CCC[C@H](c3nc4c(s3)CCC4)C2)nc2n[nH]cc21 ZINC000895674103 684677504 /nfs/dbraw/zinc/67/75/04/684677504.db2.gz MSYISOSYFLGGEX-VIFPVBQESA-N 0 0 342.428 2.388 40 0 EEABRN Cn1cc(NC(=O)N2CCOC[C@H]2CC2CC2)c(C(F)(F)F)n1 ZINC000930813547 1206585090 /nfs/dbraw/zinc/58/50/90/1206585090.db2.gz IAJGMZBVGVQFNJ-SNVBAGLBSA-N 0 0 332.326 2.472 40 0 EEABRN COc1nn(C)cc1NC(=O)N1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000931052050 1206603149 /nfs/dbraw/zinc/60/31/49/1206603149.db2.gz XTLAIGPMXNNBDL-NSHDSACASA-N 0 0 335.433 2.290 40 0 EEABRN CC1(O)CN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]c2=O)C1 ZINC000934987988 1208073512 /nfs/dbraw/zinc/07/35/12/1208073512.db2.gz QOXNNPWQFJQDQA-UHFFFAOYSA-N 0 0 326.274 2.166 40 0 EEABRN Cc1nc(SCC(N)=O)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1 ZINC000018098849 1352356769 /nfs/dbraw/zinc/35/67/69/1352356769.db2.gz DFKGJDSZWYTHDZ-UHFFFAOYSA-N 0 0 347.440 2.446 40 0 EEABRN CN1OC2(CN(C(=O)Nc3cc(C(F)(F)F)ccc3F)C2)CC1=O ZINC001549162739 1121134048 /nfs/dbraw/zinc/13/40/48/1121134048.db2.gz VIOPPFLTVPRADW-UHFFFAOYSA-N 0 0 347.268 2.225 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)CC(=O)N(Cc2ccccc2)O3)c(C)o1 ZINC001549161809 1121134070 /nfs/dbraw/zinc/13/40/70/1121134070.db2.gz LOYHWGMWYZDDNP-UHFFFAOYSA-N 0 0 340.379 2.455 40 0 EEABRN O=C(Nc1cc(F)cc(F)c1)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549161340 1121134255 /nfs/dbraw/zinc/13/42/55/1121134255.db2.gz GUXPAVOACBNQNK-UHFFFAOYSA-N 0 0 337.326 2.125 40 0 EEABRN O=C(c1ccc(Cl)c(F)c1)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549166474 1121135323 /nfs/dbraw/zinc/13/53/23/1121135323.db2.gz FHIDDYDJICNUHV-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN COc1ccc(C2(C(=O)NCCn3ccnc3C)CCOCC2)cc1 ZINC000049524426 214013621 /nfs/dbraw/zinc/01/36/21/214013621.db2.gz KNXJSLQJBISWAZ-UHFFFAOYSA-N 0 0 343.427 2.065 40 0 EEABRN Nn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000004288097 210161934 /nfs/dbraw/zinc/16/19/34/210161934.db2.gz QTNHZFNDMWTQKO-UHFFFAOYSA-N 0 0 337.836 2.027 40 0 EEABRN CCCCNC(=S)N(CCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004132596 210128202 /nfs/dbraw/zinc/12/82/02/210128202.db2.gz JCOIFEJNNBAYEF-UHFFFAOYSA-N 0 0 347.484 2.305 40 0 EEABRN CCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1 ZINC000040714666 213373423 /nfs/dbraw/zinc/37/34/23/213373423.db2.gz GCOYBDLKCMJKDN-UHFFFAOYSA-N 0 0 331.420 2.242 40 0 EEABRN COCCNC(=O)NC(=O)CNc1ccc(Oc2ccccc2)cc1 ZINC000040162268 213277340 /nfs/dbraw/zinc/27/73/40/213277340.db2.gz SUFKAPTZDDXXDC-UHFFFAOYSA-N 0 0 343.383 2.363 40 0 EEABRN CCNC(=O)CNC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000040007712 213249724 /nfs/dbraw/zinc/24/97/24/213249724.db2.gz KPZCILIBPJJGGO-UHFFFAOYSA-N 0 0 330.359 2.271 40 0 EEABRN O=C(CC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 ZINC000039377115 213236899 /nfs/dbraw/zinc/23/68/99/213236899.db2.gz KMRRCSMDHXVXKA-UHFFFAOYSA-N 0 0 342.307 2.111 40 0 EEABRN Ic1ncnc2c1ncn2[C@@H]1CCCCO1 ZINC000002048343 283041472 /nfs/dbraw/zinc/04/14/72/283041472.db2.gz HNUHHIIBWXRPEV-ZETCQYMHSA-N 0 0 330.129 2.130 40 0 EEABRN CCOc1cc(C(=O)Nc2nnn(CC)n2)cc(OCC)c1OCC ZINC000000557694 209663817 /nfs/dbraw/zinc/66/38/17/209663817.db2.gz CMBMUPDNGHCDQC-UHFFFAOYSA-N 0 0 349.391 2.141 40 0 EEABRN O=C(CSc1ncccn1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000035289675 213017995 /nfs/dbraw/zinc/01/79/95/213017995.db2.gz XWUNPWMEZRVKJG-UHFFFAOYSA-N 0 0 328.397 2.100 40 0 EEABRN Cc1noc(CCCNC(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000079034437 236993656 /nfs/dbraw/zinc/99/36/56/236993656.db2.gz UKQCFFAXENEVLN-UHFFFAOYSA-N 0 0 349.822 2.389 40 0 EEABRN COCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000107688691 237117843 /nfs/dbraw/zinc/11/78/43/237117843.db2.gz DWWUNYMELKPQIG-OAHLLOKOSA-N 0 0 334.416 2.111 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241333 216079158 /nfs/dbraw/zinc/07/91/58/216079158.db2.gz GZTJFKZKPUGAMO-JKSUJKDBSA-N 0 0 336.819 2.297 40 0 EEABRN CCn1nc(C)c2c1cnn2CCNC(=O)CSc1ccccc1 ZINC000072240931 216079401 /nfs/dbraw/zinc/07/94/01/216079401.db2.gz WBAWBDVWMWEPHI-UHFFFAOYSA-N 0 0 343.456 2.470 40 0 EEABRN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@]32Nc3ccccc3C(=O)N2)cn1 ZINC000072327460 216152447 /nfs/dbraw/zinc/15/24/47/216152447.db2.gz BPKPAEXIKLOJKT-NQYLQCIDSA-N 0 0 348.406 2.319 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000107711127 219801446 /nfs/dbraw/zinc/80/14/46/219801446.db2.gz ABXARPASTHKIKJ-SJORKVTESA-N 0 0 339.457 2.201 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1cc(Nc2cnccn2)nc(C)n1 ZINC000072382720 216182733 /nfs/dbraw/zinc/18/27/33/216182733.db2.gz OLNMWGCMVUNLNH-CQSZACIVSA-N 0 0 342.403 2.019 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000131479074 223236133 /nfs/dbraw/zinc/23/61/33/223236133.db2.gz VUMGDBKKIRKJRU-GJZGRUSLSA-N 0 0 339.480 2.092 40 0 EEABRN O=C(Nc1cccc(OCCn2cccn2)c1)c1nccn2ccnc12 ZINC000072974593 216334923 /nfs/dbraw/zinc/33/49/23/216334923.db2.gz DVROFUQYFBDICY-UHFFFAOYSA-N 0 0 348.366 2.257 40 0 EEABRN Cc1ccn(-c2ccc(N3CC[C@@H](OCc4ccncc4)C3)nn2)n1 ZINC000192905687 239934393 /nfs/dbraw/zinc/93/43/93/239934393.db2.gz KRBBYAAECPRHJH-MRXNPFEDSA-N 0 0 336.399 2.161 40 0 EEABRN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)c2ccncc2)CC1 ZINC000075056324 216548394 /nfs/dbraw/zinc/54/83/94/216548394.db2.gz SGEFJRDPOUQAKI-UHFFFAOYSA-N 0 0 343.814 2.262 40 0 EEABRN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000022606529 212309811 /nfs/dbraw/zinc/30/98/11/212309811.db2.gz BCCOWZWAFNYDSY-UHFFFAOYSA-N 0 0 344.742 2.189 40 0 EEABRN Cc1occc1[S@](=O)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000194639315 240660633 /nfs/dbraw/zinc/66/06/33/240660633.db2.gz SXRMHXFJWWZKIL-XMMPIXPASA-N 0 0 346.408 2.461 40 0 EEABRN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 ZINC000222578094 241530477 /nfs/dbraw/zinc/53/04/77/241530477.db2.gz KBCIFBXFBIBQHE-UHFFFAOYSA-N 0 0 346.478 2.087 40 0 EEABRN CC(C)[C@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225222019 241811966 /nfs/dbraw/zinc/81/19/66/241811966.db2.gz PVJJAJWJZWTGCN-AWEZNQCLSA-N 0 0 326.462 2.248 40 0 EEABRN Cc1ccsc1C(=O)NCCS(=O)(=O)CCc1ccccc1 ZINC000225721008 242002224 /nfs/dbraw/zinc/00/22/24/242002224.db2.gz PGUZXVOVVRDZHL-UHFFFAOYSA-N 0 0 337.466 2.444 40 0 EEABRN Fc1cccnc1N1CCN(c2nnc(-c3ccon3)s2)CC1 ZINC000225822933 242052973 /nfs/dbraw/zinc/05/29/73/242052973.db2.gz RKXWXDABLDCHLG-UHFFFAOYSA-N 0 0 332.364 2.054 40 0 EEABRN O=C(NCCCN1CCOCC1)c1ccc2nc(Cl)sc2c1 ZINC000225975446 242083916 /nfs/dbraw/zinc/08/39/16/242083916.db2.gz QCTVFEIXRMMWMO-UHFFFAOYSA-N 0 0 339.848 2.402 40 0 EEABRN Cn1cc(C(=O)NCCNc2ccnc3cc(Cl)ccc32)cn1 ZINC000225888504 242071952 /nfs/dbraw/zinc/07/19/52/242071952.db2.gz NQHTXOGPJCYZDH-UHFFFAOYSA-N 0 0 329.791 2.464 40 0 EEABRN CCC1(CC)CN(Cc2nnc(S(C)(=O)=O)s2)CCS1 ZINC000241586402 242995160 /nfs/dbraw/zinc/99/51/60/242995160.db2.gz OVSJNMMVHAAPTO-UHFFFAOYSA-N 0 0 335.520 2.049 40 0 EEABRN O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020493938 212140162 /nfs/dbraw/zinc/14/01/62/212140162.db2.gz KGLVIMQUKMJOGD-UAGQMJEPSA-N 0 0 342.439 2.496 40 0 EEABRN CCOC(=O)c1csc(N(C)C(=O)[C@H]2CCCc3nn(C)cc32)n1 ZINC000253427359 243967660 /nfs/dbraw/zinc/96/76/60/243967660.db2.gz YWIGTUJVVFCMFZ-JTQLQIEISA-N 0 0 348.428 2.136 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)OCC[C@H]2COCC1CCOCC1 ZINC000253480698 244001017 /nfs/dbraw/zinc/00/10/17/244001017.db2.gz YGZICQVGXSVWJN-INIZCTEOSA-N 0 0 349.427 2.262 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(Cc2ccco2)C3)nc1 ZINC000253600514 244033701 /nfs/dbraw/zinc/03/37/01/244033701.db2.gz PSDLIHUDCGHDIE-HNNXBMFYSA-N 0 0 328.416 2.471 40 0 EEABRN Cc1ccc(CN2CC3(C2)C[C@H](Oc2cncc(C)n2)CCO3)o1 ZINC000253601676 244034522 /nfs/dbraw/zinc/03/45/22/244034522.db2.gz VSPHGRJDNVVBHT-OAHLLOKOSA-N 0 0 329.400 2.499 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)CCc3cc(OC)no3)C2)ccn1 ZINC000257205202 244129582 /nfs/dbraw/zinc/12/95/82/244129582.db2.gz AYBFNVIWQNFTNU-AWEZNQCLSA-N 0 0 344.415 2.459 40 0 EEABRN CCc1nccn1CCC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257199934 244114942 /nfs/dbraw/zinc/11/49/42/244114942.db2.gz ABIMAFZMHKBLGT-MRXNPFEDSA-N 0 0 341.459 2.358 40 0 EEABRN Cc1nc(C)c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)s1 ZINC000257198942 244116132 /nfs/dbraw/zinc/11/61/32/244116132.db2.gz MUEMNSZIFLBYQZ-QWHCGFSZSA-N 0 0 329.425 2.181 40 0 EEABRN Cc1cc(CCC(=O)[O-])cc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257201941 244120250 /nfs/dbraw/zinc/12/02/50/244120250.db2.gz AJSCRBAVGAVJHD-KRWDZBQOSA-N 0 0 348.443 2.086 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000257211153 244150433 /nfs/dbraw/zinc/15/04/33/244150433.db2.gz BXRZEARANLSZAQ-GFCCVEGCSA-N 0 0 325.459 2.358 40 0 EEABRN Cc1cccnc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 ZINC000257211313 244151028 /nfs/dbraw/zinc/15/10/28/244151028.db2.gz BYKYSTKPSWPWOX-RDJZCZTQSA-N 0 0 341.411 2.138 40 0 EEABRN CN(C(=O)Cc1cccnc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257217353 244170834 /nfs/dbraw/zinc/17/08/34/244170834.db2.gz CYORQCYXSAYJAQ-HBFSDRIKSA-N 0 0 340.423 2.444 40 0 EEABRN Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020245508 212114274 /nfs/dbraw/zinc/11/42/74/212114274.db2.gz LFLDYIBHDYKYSB-UHFFFAOYSA-N 0 0 347.440 2.490 40 0 EEABRN Cc1cc(C)n2ncc(CN3CCO[C@H](c4ccnc(C)n4)C3)c2n1 ZINC000257229126 244206767 /nfs/dbraw/zinc/20/67/67/244206767.db2.gz FWTNMMCYRPMTSS-KRWDZBQOSA-N 0 0 338.415 2.018 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257245922 244255272 /nfs/dbraw/zinc/25/52/72/244255272.db2.gz IRQXDPIMAVWHLA-HNNXBMFYSA-N 0 0 344.415 2.220 40 0 EEABRN CCc1nccn1CCC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257247306 244259607 /nfs/dbraw/zinc/25/96/07/244259607.db2.gz IYJKEHPHLBPWQJ-HNNXBMFYSA-N 0 0 327.432 2.016 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257249925 244265685 /nfs/dbraw/zinc/26/56/85/244265685.db2.gz JKGXONUSLQCJGS-CYBMUJFWSA-N 0 0 333.413 2.085 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000257254320 244278663 /nfs/dbraw/zinc/27/86/63/244278663.db2.gz KCOMALDDHFMYAD-AWEZNQCLSA-N 0 0 345.428 2.212 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccn1 ZINC000257254319 244279066 /nfs/dbraw/zinc/27/90/66/244279066.db2.gz KCODLJPMDGUWON-OAHLLOKOSA-N 0 0 344.415 2.429 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)n1 ZINC000257256871 244285131 /nfs/dbraw/zinc/28/51/31/244285131.db2.gz KNGDYUWCCBWLKW-GOSISDBHSA-N 0 0 340.427 2.339 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@@H](Cc3n[nH]cc3C)C2)on1 ZINC000257268503 244371242 /nfs/dbraw/zinc/37/12/42/244371242.db2.gz MLYMAYLHFCXAED-ZDUSSCGKSA-N 0 0 332.404 2.129 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2cc(C)[nH]n2)n1 ZINC000257271508 244381073 /nfs/dbraw/zinc/38/10/73/244381073.db2.gz MYPUTKOISGAPRF-OAHLLOKOSA-N 0 0 329.404 2.184 40 0 EEABRN Cc1c(CN2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cnn1C ZINC000257275501 244392487 /nfs/dbraw/zinc/39/24/87/244392487.db2.gz NPRCEYPGKSPHIE-GOSISDBHSA-N 0 0 329.448 2.071 40 0 EEABRN C[C@]1(O)CN(C(=O)c2cscn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257291427 244436277 /nfs/dbraw/zinc/43/62/77/244436277.db2.gz QGXKIIIOYJUPOO-HOCLYGCPSA-N 0 0 336.388 2.327 40 0 EEABRN Nc1cnc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000257323896 244527277 /nfs/dbraw/zinc/52/72/77/244527277.db2.gz WMHVRXORLHIPLL-AWEZNQCLSA-N 0 0 346.456 2.092 40 0 EEABRN Cc1nc([C@H]2CCCN(C(=O)C3CCCCC3)C2)ncc1C(N)=O ZINC000019754827 212062436 /nfs/dbraw/zinc/06/24/36/212062436.db2.gz PBMUHJBZUABRNA-AWEZNQCLSA-N 0 0 330.432 2.170 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000019747739 212061446 /nfs/dbraw/zinc/06/14/46/212061446.db2.gz FJPTVBZPDNKBID-GFCCVEGCSA-N 0 0 344.440 2.212 40 0 EEABRN COc1cc(NCc2cc3ccccc3[nH]c2=O)ccc1-n1cnnn1 ZINC000019550266 212041082 /nfs/dbraw/zinc/04/10/82/212041082.db2.gz JGXVUDGASVPOGG-UHFFFAOYSA-N 0 0 348.366 2.125 40 0 EEABRN CCc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)no1 ZINC000019522679 212037351 /nfs/dbraw/zinc/03/73/51/212037351.db2.gz HVTMPPWRULNOQH-UHFFFAOYSA-N 0 0 337.383 2.370 40 0 EEABRN C[C@@]1(C(=O)N2C[C@@H](CN3CCOCC3)c3ccccc32)CCCO1 ZINC000019461219 212031112 /nfs/dbraw/zinc/03/11/12/212031112.db2.gz RJRVSTKNYNCLAU-BEFAXECRSA-N 0 0 330.428 2.018 40 0 EEABRN CC[C@H](C)S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019500014 212033395 /nfs/dbraw/zinc/03/33/95/212033395.db2.gz UVHGEFVUCZCPSH-ZDUSSCGKSA-N 0 0 340.493 2.312 40 0 EEABRN c1ccc2c(c1)CCN(Cc1nnnn1Cc1ccc3c(c1)OCO3)C2 ZINC000019375400 212024324 /nfs/dbraw/zinc/02/43/24/212024324.db2.gz ORIHVQRBRKNOKK-UHFFFAOYSA-N 0 0 349.394 2.008 40 0 EEABRN Cc1cccc(NC2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000078050227 217014363 /nfs/dbraw/zinc/01/43/63/217014363.db2.gz OXMISJQHBURREV-UHFFFAOYSA-N 0 0 332.429 2.050 40 0 EEABRN O=C(N[C@H](Cc1cccs1)c1nccs1)[C@H]1CSCN1 ZINC000019343282 212017493 /nfs/dbraw/zinc/01/74/93/212017493.db2.gz JNASUURVQLMQMI-GHMZBOCLSA-N 0 0 325.484 2.267 40 0 EEABRN Cc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1 ZINC000019211088 212004199 /nfs/dbraw/zinc/00/41/99/212004199.db2.gz UDBCQFCBPGGYDU-UHFFFAOYSA-N 0 0 348.472 2.127 40 0 EEABRN CCNC(=O)c1cccc(C)c1OCC(=O)NC(C1CC1)C1CC1 ZINC000078393966 217046494 /nfs/dbraw/zinc/04/64/94/217046494.db2.gz PHZWCXUKSYSQBR-UHFFFAOYSA-N 0 0 330.428 2.428 40 0 EEABRN COC(=O)N1CCC[C@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000078880476 217137609 /nfs/dbraw/zinc/13/76/09/217137609.db2.gz DPRMTODFHSXBDQ-JTQLQIEISA-N 0 0 348.371 2.326 40 0 EEABRN CN(CC(=O)N1CCOCC1)Cc1ccccc1Oc1cccnc1 ZINC000078922988 217149090 /nfs/dbraw/zinc/14/90/90/217149090.db2.gz ABXKMMTYNBGHSX-UHFFFAOYSA-N 0 0 341.411 2.165 40 0 EEABRN Cc1noc(CCNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n1 ZINC000079039974 217179809 /nfs/dbraw/zinc/17/98/09/217179809.db2.gz SZPNYSMRVBUOIA-MRVPVSSYSA-N 0 0 327.743 2.297 40 0 EEABRN Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)n1C ZINC000079042838 217180501 /nfs/dbraw/zinc/18/05/01/217180501.db2.gz ANXKNZJBAFXVFX-UHFFFAOYSA-N 0 0 334.441 2.446 40 0 EEABRN COc1cccc(SCC(=O)NCc2nc(-c3ccco3)n[nH]2)c1 ZINC000079049420 217181787 /nfs/dbraw/zinc/18/17/87/217181787.db2.gz PRGXYHMXWSRFAV-UHFFFAOYSA-N 0 0 344.396 2.482 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(-c2cnco2)cc1 ZINC000079051933 217182808 /nfs/dbraw/zinc/18/28/08/217182808.db2.gz JSJAYHNOCKDSEB-UHFFFAOYSA-N 0 0 336.413 2.285 40 0 EEABRN CN(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccn1 ZINC000079335745 217211606 /nfs/dbraw/zinc/21/16/06/217211606.db2.gz NSRFUXUTYTZPES-ZDUSSCGKSA-N 0 0 348.447 2.134 40 0 EEABRN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000079726396 217250438 /nfs/dbraw/zinc/25/04/38/217250438.db2.gz ZPGLEQXNPGTIER-JTQLQIEISA-N 0 0 334.397 2.469 40 0 EEABRN CCOC(=O)NCCNC(=O)c1cc(Br)cn1C(C)C ZINC000080080540 217277745 /nfs/dbraw/zinc/27/77/45/217277745.db2.gz BVVYOZIJSPCDKE-UHFFFAOYSA-N 0 0 346.225 2.307 40 0 EEABRN COC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(Br)c2)C1 ZINC000080500959 217308750 /nfs/dbraw/zinc/30/87/50/217308750.db2.gz IDATZDRSSPEWAD-VIFPVBQESA-N 0 0 345.168 2.159 40 0 EEABRN O=C(c1ccc2nncn2c1)N1CCC(COc2ccccn2)CC1 ZINC000081445922 217398867 /nfs/dbraw/zinc/39/88/67/217398867.db2.gz KIYDBEYMFZGWGX-UHFFFAOYSA-N 0 0 337.383 2.056 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222617746 284474950 /nfs/dbraw/zinc/47/49/50/284474950.db2.gz WCZCXIMVQLDTLQ-UHFFFAOYSA-N 0 0 326.462 2.410 40 0 EEABRN Cc1occc1-c1nn(C2CCN(C(=O)c3ccco3)CC2)c(=O)o1 ZINC000012740195 211441339 /nfs/dbraw/zinc/44/13/39/211441339.db2.gz MTVAVDOBJBLAJF-UHFFFAOYSA-N 0 0 343.339 2.475 40 0 EEABRN C=Cn1cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c(C)n1 ZINC000012121778 211298975 /nfs/dbraw/zinc/29/89/75/211298975.db2.gz KPTMEWNDGMTYHU-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 ZINC000012118781 211298501 /nfs/dbraw/zinc/29/85/01/211298501.db2.gz BPJAPFJDZHYLSN-OCCSQVGLSA-N 0 0 330.388 2.258 40 0 EEABRN Cc1nonc1CC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 ZINC000012119862 211298613 /nfs/dbraw/zinc/29/86/13/211298613.db2.gz SDJRERWUJQGUPH-NSHDSACASA-N 0 0 344.415 2.440 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1c1ccc(F)cc1 ZINC000012157300 211308689 /nfs/dbraw/zinc/30/86/89/211308689.db2.gz CQOYADOYCMOKPA-CABCVRRESA-N 0 0 328.343 2.250 40 0 EEABRN O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000009225472 211055526 /nfs/dbraw/zinc/05/55/26/211055526.db2.gz VWBDEWVUXHTTKL-BFHYXJOUSA-N 0 0 339.798 2.207 40 0 EEABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 ZINC000009140123 211044992 /nfs/dbraw/zinc/04/49/92/211044992.db2.gz VWTJEJCFJLGLDM-UHFFFAOYSA-N 0 0 338.824 2.109 40 0 EEABRN O=C(c1cscn1)N1CCC2(CCN(c3ncccn3)C2)CC1 ZINC000096157535 296298459 /nfs/dbraw/zinc/29/84/59/296298459.db2.gz XPVDRUJYLBHLCP-UHFFFAOYSA-N 0 0 329.429 2.066 40 0 EEABRN Cc1cc(NC(=O)CN(C)Cc2nc(-c3ccccc3)c[nH]2)n(C)n1 ZINC000095432345 218374879 /nfs/dbraw/zinc/37/48/79/218374879.db2.gz OTDGYGCTTHROAW-UHFFFAOYSA-N 0 0 338.415 2.189 40 0 EEABRN Cc1occc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044911 218531096 /nfs/dbraw/zinc/53/10/96/218531096.db2.gz BKAQSKKQKJAUAT-CQSZACIVSA-N 0 0 329.400 2.488 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000096105853 218598397 /nfs/dbraw/zinc/59/83/97/218598397.db2.gz QMYJUPAVKJZIER-OAHLLOKOSA-N 0 0 347.411 2.002 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@@H](OCc3ccccn3)CO2)CC1 ZINC000096106936 218599035 /nfs/dbraw/zinc/59/90/35/218599035.db2.gz VQRCTAINADTZNT-QGZVFWFLSA-N 0 0 345.443 2.438 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000096181926 218643350 /nfs/dbraw/zinc/64/33/50/218643350.db2.gz KAHHZMGCZUKYFU-WMZOPIPTSA-N 0 0 341.386 2.447 40 0 EEABRN CCOCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096189313 218659261 /nfs/dbraw/zinc/65/92/61/218659261.db2.gz WSHBLOOIYHBVDL-UHFFFAOYSA-N 0 0 332.425 2.365 40 0 EEABRN CC(C)NC(=O)N1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 ZINC000096186140 218651466 /nfs/dbraw/zinc/65/14/66/218651466.db2.gz YPKREPWEVUWTQT-ULQDDVLXSA-N 0 0 333.432 2.338 40 0 EEABRN CC(C)CC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC000096238017 218710903 /nfs/dbraw/zinc/71/09/03/218710903.db2.gz CZBABDVMKLOEEY-IBGZPJMESA-N 0 0 347.434 2.121 40 0 EEABRN C[C@H](NC(=O)NCC[S@](C)=O)c1ccc(Br)cc1 ZINC000096408729 218761060 /nfs/dbraw/zinc/76/10/60/218761060.db2.gz AWXURSNKFUHPJW-NIVTXAMTSA-N 0 0 333.251 2.188 40 0 EEABRN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccnc1Cl ZINC000096418752 218782313 /nfs/dbraw/zinc/78/23/13/218782313.db2.gz AMKUAOMQQRELLK-CQSZACIVSA-N 0 0 332.787 2.430 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000096419950 218783610 /nfs/dbraw/zinc/78/36/10/218783610.db2.gz UAEYWZXHLCGGAZ-STQMWFEESA-N 0 0 338.370 2.414 40 0 EEABRN Cc1nsc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000096429261 218802546 /nfs/dbraw/zinc/80/25/46/218802546.db2.gz RDWDYFYJYXIYBL-CQSZACIVSA-N 0 0 332.429 2.367 40 0 EEABRN Cc1nc(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3=O)c2)cs1 ZINC000096431187 218805965 /nfs/dbraw/zinc/80/59/65/218805965.db2.gz WPAQNVNMBSFCEX-HNNXBMFYSA-N 0 0 329.425 2.421 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3CCC[C@H]3O)cn2)n1 ZINC000096434060 218810953 /nfs/dbraw/zinc/81/09/53/218810953.db2.gz HSKLSSYZBFCJLA-UKRRQHHQSA-N 0 0 329.404 2.167 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@@H](C)OC[C@@H]2c2ccccc2)n(C)n1 ZINC000096441770 218824081 /nfs/dbraw/zinc/82/40/81/218824081.db2.gz HOSBSWGVURECIY-GDBMZVCRSA-N 0 0 328.416 2.129 40 0 EEABRN O=C(N[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CSC(=O)N1 ZINC000096444655 218826563 /nfs/dbraw/zinc/82/65/63/218826563.db2.gz UCYGNJWRZYEWIC-MNOVXSKESA-N 0 0 341.230 2.378 40 0 EEABRN Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000096446648 218829750 /nfs/dbraw/zinc/82/97/50/218829750.db2.gz MSRJVMYXENPEJW-CYBMUJFWSA-N 0 0 337.420 2.121 40 0 EEABRN C[C@@H](CNC(=O)NCc1ccccc1N1CCCCC1)[S@](C)=O ZINC000096499832 218874259 /nfs/dbraw/zinc/87/42/59/218874259.db2.gz HRCOEHLOYPUVHK-LFVRLGFBSA-N 0 0 337.489 2.243 40 0 EEABRN O=C(NC1CCN(C(=S)NCCc2ccccc2)CC1)C1CC1 ZINC000004888632 210313450 /nfs/dbraw/zinc/31/34/50/210313450.db2.gz HLVDQXBEARPSIM-UHFFFAOYSA-N 0 0 331.485 2.094 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)NC1(c2ncon2)CCOCC1 ZINC000097373356 219017131 /nfs/dbraw/zinc/01/71/31/219017131.db2.gz DJGOZFFWURRLJB-UHFFFAOYSA-N 0 0 339.754 2.227 40 0 EEABRN CC[C@@]1(c2ccc(C)cc2)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000097377986 219019334 /nfs/dbraw/zinc/01/93/34/219019334.db2.gz SZUKIGROGCVSEL-DOMZBBRYSA-N 0 0 329.318 2.325 40 0 EEABRN Nc1cccc(C(=O)c2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)c1 ZINC000004773464 210275222 /nfs/dbraw/zinc/27/52/22/210275222.db2.gz VSMWSNFJKHIDSL-UHFFFAOYSA-N 0 0 330.351 2.415 40 0 EEABRN CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000072238244 285300344 /nfs/dbraw/zinc/30/03/44/285300344.db2.gz CSARYEUKLOWHAF-IEBWSBKVSA-N 0 0 343.471 2.069 40 0 EEABRN Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)[C@H]4CCOC4)C3)nc2c1 ZINC000273071067 256262575 /nfs/dbraw/zinc/26/25/75/256262575.db2.gz FQLBMCPHPADAKH-KGLIPLIRSA-N 0 0 349.456 2.169 40 0 EEABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000015717961 257912126 /nfs/dbraw/zinc/91/21/26/257912126.db2.gz UPCXHBKQMKSKDX-UHFFFAOYSA-N 0 0 348.399 2.279 40 0 EEABRN CC(C)(C)n1ncnc1CN(CCN1CCOCC1)c1ccccc1 ZINC000330032927 258002379 /nfs/dbraw/zinc/00/23/79/258002379.db2.gz UYQGINHILFKQAX-UHFFFAOYSA-N 0 0 343.475 2.372 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000053954145 132189226 /nfs/dbraw/zinc/18/92/26/132189226.db2.gz ZCGWJKUBLDXJOJ-UHFFFAOYSA-N 0 0 344.434 2.457 40 0 EEABRN Cc1cc(C(=O)OCc2cc(C)nc(N3CCCCC3)n2)n(C)n1 ZINC000095449782 132822853 /nfs/dbraw/zinc/82/28/53/132822853.db2.gz BIXGHTSKFCQVGN-UHFFFAOYSA-N 0 0 329.404 2.174 40 0 EEABRN CO[C@H]1CCN(C(=O)c2cn3c(cccc3C)n2)C[C@@]12CCCO2 ZINC000257275087 286056533 /nfs/dbraw/zinc/05/65/33/286056533.db2.gz NNVURTHTTADPSO-YJBOKZPZSA-N 0 0 329.400 2.053 40 0 EEABRN CS(=O)(=O)C[C@@H](NCc1noc2c1CCCC2)c1ccccc1 ZINC000096492370 286599762 /nfs/dbraw/zinc/59/97/62/286599762.db2.gz ACIAOYRUWBRJIE-MRXNPFEDSA-N 0 0 334.441 2.429 40 0 EEABRN Cc1c(Br)cccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000171154603 226919510 /nfs/dbraw/zinc/91/95/10/226919510.db2.gz QMSIYWXIVRNOTM-SECBINFHSA-N 0 0 347.234 2.066 40 0 EEABRN COc1c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2nc2ccccc21 ZINC000255190048 277365515 /nfs/dbraw/zinc/36/55/15/277365515.db2.gz UPHQGOJGJFPUCR-NSHDSACASA-N 0 0 331.397 2.261 40 0 EEABRN C[C@@H]1C/C=C/[C@@H](O)[C@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000013309325 278436389 /nfs/dbraw/zinc/43/63/89/278436389.db2.gz NHAQNKDEUQPSIX-TXZCBKSXSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(F)cc1 ZINC000224299764 279091806 /nfs/dbraw/zinc/09/18/06/279091806.db2.gz XRJHFHJEBDVZTB-UHFFFAOYSA-N 0 0 330.363 2.321 40 0 EEABRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000096425552 288113414 /nfs/dbraw/zinc/11/34/14/288113414.db2.gz NSRUQDRNEIGFHJ-CQSZACIVSA-N 0 0 348.406 2.427 40 0 EEABRN Cc1noc([C@@H]2Cn3nccc3CN(C(=O)c3ccsc3)C2)n1 ZINC000096188858 279256691 /nfs/dbraw/zinc/25/66/91/279256691.db2.gz MJUIXJYOGCDDOT-LBPRGKRZSA-N 0 0 329.385 2.076 40 0 EEABRN Cc1cc(-c2cc3nc(C)c(C)c(N4CCC[C@@H](O)C4)n3n2)no1 ZINC000013225839 280284377 /nfs/dbraw/zinc/28/43/77/280284377.db2.gz FPLKPYVVQBMYAZ-CYBMUJFWSA-N 0 0 327.388 2.271 40 0 EEABRN O=C1Nc2ccccc2CC[C@@H]1N1CCO[C@H](COCC2CC2)C1 ZINC000225401021 280303842 /nfs/dbraw/zinc/30/38/42/280303842.db2.gz GVGKSTHOYNYQAX-WMZOPIPTSA-N 0 0 330.428 2.067 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cscn1 ZINC000257292333 295392085 /nfs/dbraw/zinc/39/20/85/295392085.db2.gz QLAHDEFZPHNMHN-HNNXBMFYSA-N 0 0 345.424 2.197 40 0 EEABRN Cc1ocnc1C(=O)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257239018 302876705 /nfs/dbraw/zinc/87/67/05/302876705.db2.gz HNODINBIBPQSBI-GFCCVEGCSA-N 0 0 327.344 2.099 40 0 EEABRN CCc1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc[nH]n2)s1 ZINC000329083094 311646955 /nfs/dbraw/zinc/64/69/55/311646955.db2.gz SPMVIWMRILPTRR-NSHDSACASA-N 0 0 326.447 2.345 40 0 EEABRN COCC1(C(=O)N2CCCN(c3ccc(C)nn3)CC2)CCCC1 ZINC000333960971 312220464 /nfs/dbraw/zinc/22/04/64/312220464.db2.gz LNDVFKLZMDOUOL-UHFFFAOYSA-N 0 0 332.448 2.031 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)s2)o1 ZINC000097237732 323321029 /nfs/dbraw/zinc/32/10/29/323321029.db2.gz PWOVLHIKHUYXFX-TZMCWYRMSA-N 0 0 332.425 2.472 40 0 EEABRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@H]1CCc2ncnn2C1 ZINC000133612142 323329613 /nfs/dbraw/zinc/32/96/13/323329613.db2.gz OXLRUILYFHYYDM-JQWIXIFHSA-N 0 0 331.342 2.013 40 0 EEABRN CC(C)C1=C[C@](O)(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000000199884 462547557 /nfs/dbraw/zinc/54/75/57/462547557.db2.gz VKOLEJAASYLJAD-LBPRGKRZSA-N 0 0 336.335 2.344 40 0 EEABRN CCCCC1(CCN(CC)c2ccccc2)C(=O)NC(=O)NC1=O ZINC000001760317 462586965 /nfs/dbraw/zinc/58/69/65/462586965.db2.gz XMXGEDNCQPCYBX-UHFFFAOYSA-N 0 0 331.416 2.446 40 0 EEABRN COc1cccc(OC)c1C(=O)N1CCC(c2nc(C)no2)CC1 ZINC000046087464 462646272 /nfs/dbraw/zinc/64/62/72/462646272.db2.gz BPXWWKOOOJJNHR-UHFFFAOYSA-N 0 0 331.372 2.415 40 0 EEABRN COc1ccccc1CNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000064799487 462721037 /nfs/dbraw/zinc/72/10/37/462721037.db2.gz BZEFKIMIVJBRGW-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN CCOc1c(Br)cc(CNn2cnnc2)cc1OC ZINC000007541666 462739997 /nfs/dbraw/zinc/73/99/97/462739997.db2.gz GTPUJSWOHRXAEO-UHFFFAOYSA-N 0 0 327.182 2.192 40 0 EEABRN Cc1ccccc1C1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC000075717835 462752912 /nfs/dbraw/zinc/75/29/12/462752912.db2.gz AQTKGTKKWVSYEK-UHFFFAOYSA-N 0 0 349.456 2.302 40 0 EEABRN CCc1ccc(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)cc1 ZINC000008083704 462765975 /nfs/dbraw/zinc/76/59/75/462765975.db2.gz VOZVQNHKBSKSCJ-UVTDQMKNSA-N 0 0 348.424 2.048 40 0 EEABRN Cc1ccc(C)c(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000010332102 462817807 /nfs/dbraw/zinc/81/78/07/462817807.db2.gz YLUDAQOUPWRCMH-CYBMUJFWSA-N 0 0 326.462 2.373 40 0 EEABRN O=C(CN1c2ccccc2C2=NCCCN2C1=O)N1CCCCC1 ZINC000012142777 462844701 /nfs/dbraw/zinc/84/47/01/462844701.db2.gz NADCBJZWDVYLMF-UHFFFAOYSA-N 0 0 326.400 2.091 40 0 EEABRN COC[C@H](C)N1CCN(C(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000076615778 462885667 /nfs/dbraw/zinc/88/56/67/462885667.db2.gz TTZISOGNXMOLJN-KRWDZBQOSA-N 0 0 345.487 2.388 40 0 EEABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 ZINC000013225958 462887833 /nfs/dbraw/zinc/88/78/33/462887833.db2.gz DTZSSOHFDJZSCZ-VXGBXAGGSA-N 0 0 348.428 2.387 40 0 EEABRN CCCN(CC(F)F)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000076829519 462914126 /nfs/dbraw/zinc/91/41/26/462914126.db2.gz MOFXYNCLMYHKOT-UHFFFAOYSA-N 0 0 338.351 2.450 40 0 EEABRN CS(=O)(=O)N(CCCC(N)=O)c1cc(Cl)ccc1Cl ZINC000014399004 462926382 /nfs/dbraw/zinc/92/63/82/462926382.db2.gz YSZBTIHQKDAGRR-UHFFFAOYSA-N 0 0 325.217 2.025 40 0 EEABRN C[C@@H]1CCCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000049026266 462950220 /nfs/dbraw/zinc/95/02/20/462950220.db2.gz KGEMYJDGDYMGJY-GFCCVEGCSA-N 0 0 337.370 2.465 40 0 EEABRN O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1 ZINC000017070800 462994870 /nfs/dbraw/zinc/99/48/70/462994870.db2.gz JMACRQOJDRFQAX-DZGCQCFKSA-N 0 0 336.819 2.209 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000019238418 463016575 /nfs/dbraw/zinc/01/65/75/463016575.db2.gz VDPAPJPQVHQJAU-CQSZACIVSA-N 0 0 338.371 2.000 40 0 EEABRN Cc1cc(C)nc(N2CCC(CC(=O)NC[C@@]3(C)CCCO3)CC2)n1 ZINC000019748360 463021178 /nfs/dbraw/zinc/02/11/78/463021178.db2.gz QFUBHXKXOIMZSY-LJQANCHMSA-N 0 0 346.475 2.385 40 0 EEABRN CC[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000156726106 463060781 /nfs/dbraw/zinc/06/07/81/463060781.db2.gz AKHSYAABKZMBJD-SWLSCSKDSA-N 0 0 340.217 2.237 40 0 EEABRN O=C(NC[C@H](O)c1ccccc1Cl)C(=O)Nc1cccc(F)c1 ZINC000077913786 463069684 /nfs/dbraw/zinc/06/96/84/463069684.db2.gz MMFDLVQLFBMNCQ-AWEZNQCLSA-N 0 0 336.750 2.267 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096039101 463144091 /nfs/dbraw/zinc/14/40/91/463144091.db2.gz CQMHYSBABCJYRD-DLBZAZTESA-N 0 0 339.457 2.201 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cn1 ZINC000096039852 463145227 /nfs/dbraw/zinc/14/52/27/463145227.db2.gz KLRGCDYYNHTCNZ-IEBWSBKVSA-N 0 0 345.443 2.223 40 0 EEABRN Cc1cc(CN2CC[C@H]3C[C@@H](c4ccnc(N(C)C)n4)O[C@@H]3C2)no1 ZINC000096046387 463149924 /nfs/dbraw/zinc/14/99/24/463149924.db2.gz IIBZBSMKBYETAK-RRQGHBQHSA-N 0 0 343.431 2.191 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000096055291 463157794 /nfs/dbraw/zinc/15/77/94/463157794.db2.gz CEAHPMNCCSPHRP-CEXWTWQISA-N 0 0 342.443 2.011 40 0 EEABRN Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccc(C)nc4)CC[C@@H]3O2)n1 ZINC000096070543 463165514 /nfs/dbraw/zinc/16/55/14/463165514.db2.gz LIUCFDRVQPPVND-SOUVJXGZSA-N 0 0 328.372 2.074 40 0 EEABRN O=C(c1ccno1)N1CC[C@]2(C[C@@H](OCc3ccccc3)CO2)C1 ZINC000096072368 463165877 /nfs/dbraw/zinc/16/58/77/463165877.db2.gz IJCLFKZROBZPJS-QAPCUYQASA-N 0 0 328.368 2.265 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096073244 463167342 /nfs/dbraw/zinc/16/73/42/463167342.db2.gz ZICGLRCIZIXYTK-INIZCTEOSA-N 0 0 341.411 2.263 40 0 EEABRN Fc1cnc(N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096082906 463170495 /nfs/dbraw/zinc/17/04/95/463170495.db2.gz YFFVUUAVXFXBKI-BHYGNILZSA-N 0 0 344.390 2.211 40 0 EEABRN O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 ZINC000096083608 463171189 /nfs/dbraw/zinc/17/11/89/463171189.db2.gz NZXUGXQXQVGXQM-IXDOHACOSA-N 0 0 349.475 2.177 40 0 EEABRN CSc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2F)o1 ZINC000078996322 463176599 /nfs/dbraw/zinc/17/65/99/463176599.db2.gz CZVSTZYCECNYEC-UHFFFAOYSA-N 0 0 340.351 2.440 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)o1 ZINC000096187196 463199446 /nfs/dbraw/zinc/19/94/46/463199446.db2.gz UHVUWWNDEKUKLA-KMFMINBZSA-N 0 0 328.368 2.434 40 0 EEABRN CC(C)NC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188096 463200650 /nfs/dbraw/zinc/20/06/50/463200650.db2.gz ONJLPFJFHHMBIR-MRXNPFEDSA-N 0 0 343.431 2.045 40 0 EEABRN C[C@]1(C(=O)NCCCn2ccnc2)CC(c2cccc(F)c2)=NO1 ZINC000096193000 463201659 /nfs/dbraw/zinc/20/16/59/463201659.db2.gz VIFRBSVKJSEQIG-QGZVFWFLSA-N 0 0 330.363 2.112 40 0 EEABRN COCCN1CCN(C(=O)c2ccncc2F)Cc2ccc(C)nc21 ZINC000096199037 463204464 /nfs/dbraw/zinc/20/44/64/463204464.db2.gz GYSWXUHWBGFQTB-UHFFFAOYSA-N 0 0 344.390 2.033 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096202256 463207162 /nfs/dbraw/zinc/20/71/62/463207162.db2.gz DKVAFLXJHPOILF-SFHVURJKSA-N 0 0 327.384 2.044 40 0 EEABRN Cc1ccnc(OC[C@H]2Cn3cncc3CN(Cc3ccoc3)C2)n1 ZINC000096219905 463217472 /nfs/dbraw/zinc/21/74/72/463217472.db2.gz WHUORZLVAQMFSC-MRXNPFEDSA-N 0 0 339.399 2.286 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@@H](Nc3ccccn3)CO2)CC1 ZINC000096221377 463218243 /nfs/dbraw/zinc/21/82/43/463218243.db2.gz ZJCCLORZNRNTRF-OAHLLOKOSA-N 0 0 330.432 2.333 40 0 EEABRN CC(C)CS(=O)(=O)N1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC000096243943 463226057 /nfs/dbraw/zinc/22/60/57/463226057.db2.gz CFNWARFMBGYXPW-UHFFFAOYSA-N 0 0 336.457 2.348 40 0 EEABRN CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccnc1)CCC2 ZINC000096259216 463230016 /nfs/dbraw/zinc/23/00/16/463230016.db2.gz RKUVRCSSWBYNHF-UHFFFAOYSA-N 0 0 327.432 2.164 40 0 EEABRN O=S(=O)(c1cc(F)c(F)cc1F)N(C[C@@H]1CCOC1)C1CC1 ZINC000096404254 463237990 /nfs/dbraw/zinc/23/79/90/463237990.db2.gz OYMONQNUUVGARM-VIFPVBQESA-N 0 0 335.347 2.294 40 0 EEABRN Cn1cnnc1CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000096403520 463238047 /nfs/dbraw/zinc/23/80/47/463238047.db2.gz MZZPXHVZZZOQKN-UHFFFAOYSA-N 0 0 326.322 2.428 40 0 EEABRN O=C(NC1CC1)c1c2c(sc1NC(=O)[C@H]1CCCOC1)CCC2 ZINC000096403699 463238240 /nfs/dbraw/zinc/23/82/40/463238240.db2.gz HPJXTUVAWIDJLB-JTQLQIEISA-N 0 0 334.441 2.494 40 0 EEABRN COc1ccccc1CCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000096405545 463239159 /nfs/dbraw/zinc/23/91/59/463239159.db2.gz PLPUVPXGSVPABV-MRXNPFEDSA-N 0 0 345.443 2.034 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)C(=O)Nc3ccccc3)CC2)n1 ZINC000096408604 463241579 /nfs/dbraw/zinc/24/15/79/463241579.db2.gz XEIKEHZHIJVVCO-UHFFFAOYSA-N 0 0 338.411 2.114 40 0 EEABRN CCOC1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000096408921 463242348 /nfs/dbraw/zinc/24/23/48/463242348.db2.gz DNBKRMCUAPFXLW-HSZRJFAPSA-N 0 0 338.473 2.146 40 0 EEABRN Cc1ccc(CNC(=O)c2c[nH]nc2NC(=O)c2ccccn2)cc1 ZINC000096412441 463245334 /nfs/dbraw/zinc/24/53/34/463245334.db2.gz WFEPOQAZDNIGIV-UHFFFAOYSA-N 0 0 335.367 2.295 40 0 EEABRN C[S@@](=O)c1cccc(NC(=O)C(=O)NC2(c3ccccc3)CC2)c1 ZINC000096413494 463245944 /nfs/dbraw/zinc/24/59/44/463245944.db2.gz CDSPSJRKLPTVKW-DEOSSOPVSA-N 0 0 342.420 2.168 40 0 EEABRN COc1ccc(CS(=O)(=O)C[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000158697840 463247450 /nfs/dbraw/zinc/24/74/50/463247450.db2.gz CGALHTIJJLHGCR-SNVBAGLBSA-N 0 0 332.727 2.187 40 0 EEABRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000096415641 463248445 /nfs/dbraw/zinc/24/84/45/463248445.db2.gz ODRYMDMAPKTNHH-UHFFFAOYSA-N 0 0 326.278 2.043 40 0 EEABRN Cn1cc(CC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1 ZINC000096417224 463249464 /nfs/dbraw/zinc/24/94/64/463249464.db2.gz ZGLLBGVSZPQNGN-AWEZNQCLSA-N 0 0 332.379 2.331 40 0 EEABRN CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F ZINC000096419082 463250259 /nfs/dbraw/zinc/25/02/59/463250259.db2.gz SIZZJYZXTVQQJE-IINYFYTJSA-N 0 0 331.384 2.357 40 0 EEABRN Cc1cccc(N(C)C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 ZINC000096418342 463250607 /nfs/dbraw/zinc/25/06/07/463250607.db2.gz HSLVFPDJYBXSIU-GFCCVEGCSA-N 0 0 336.388 2.354 40 0 EEABRN Cc1occc1CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096418667 463250628 /nfs/dbraw/zinc/25/06/28/463250628.db2.gz ZCLGVLKDIBFANL-SFHVURJKSA-N 0 0 328.412 2.495 40 0 EEABRN CN(Cc1ccco1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000096418196 463250712 /nfs/dbraw/zinc/25/07/12/463250712.db2.gz YKMUEQQYHQFRLQ-UHFFFAOYSA-N 0 0 343.351 2.477 40 0 EEABRN Cc1nn(C)c(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000096418677 463250725 /nfs/dbraw/zinc/25/07/25/463250725.db2.gz XUDVUXNHPODABP-KRWDZBQOSA-N 0 0 342.443 2.267 40 0 EEABRN CN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000096419764 463251966 /nfs/dbraw/zinc/25/19/66/463251966.db2.gz VUKGXGBYQDCWHH-OAHLLOKOSA-N 0 0 334.445 2.286 40 0 EEABRN Cc1ccccc1C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000096426442 463255901 /nfs/dbraw/zinc/25/59/01/463255901.db2.gz NWBAQPKEVLSYEL-UHFFFAOYSA-N 0 0 338.473 2.029 40 0 EEABRN COC(CN1CCO[C@@H](c2ccc(Br)cc2)C1)OC ZINC000136748785 463257018 /nfs/dbraw/zinc/25/70/18/463257018.db2.gz SUGFCBJVPYGRPA-CYBMUJFWSA-N 0 0 330.222 2.441 40 0 EEABRN CCO[C@@H]1C[C@@H](Nc2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096429824 463259205 /nfs/dbraw/zinc/25/92/05/463259205.db2.gz YOLQTXXGWQFJFI-ZIAGYGMSSA-N 0 0 331.420 2.420 40 0 EEABRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)C(C)C ZINC000096433004 463261418 /nfs/dbraw/zinc/26/14/18/463261418.db2.gz SSPNCQBEVXFCTB-HNNXBMFYSA-N 0 0 329.437 2.332 40 0 EEABRN CNC(=O)c1cc(NC(=O)NCCCCn2ccnc2C)ccc1F ZINC000096434359 463261799 /nfs/dbraw/zinc/26/17/99/463261799.db2.gz XSLLMKCIFMUXIX-UHFFFAOYSA-N 0 0 347.394 2.292 40 0 EEABRN COC(C)(C)C[C@@H](C)NC(=O)Nc1cc(Br)c[nH]c1=O ZINC000096434314 463262346 /nfs/dbraw/zinc/26/23/46/463262346.db2.gz LRVKTKYTKDAVCQ-MRVPVSSYSA-N 0 0 346.225 2.463 40 0 EEABRN CS(=O)(=O)CCN(Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000096435790 463263505 /nfs/dbraw/zinc/26/35/05/463263505.db2.gz BAUMYOCBQDAOKQ-UHFFFAOYSA-N 0 0 330.413 2.009 40 0 EEABRN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCS(C)(=O)=O)CC1 ZINC000096435784 463263674 /nfs/dbraw/zinc/26/36/74/463263674.db2.gz GEQIPCDCHAXXSW-INIZCTEOSA-N 0 0 346.443 2.078 40 0 EEABRN CC[C@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)N1CCCC1=O ZINC000096436288 463264027 /nfs/dbraw/zinc/26/40/27/463264027.db2.gz DCZDCCHQSUPCEM-SJORKVTESA-N 0 0 330.428 2.160 40 0 EEABRN NC(=O)[C@@H](NCc1cccnc1)c1ccc(Br)cc1F ZINC000096436807 463265117 /nfs/dbraw/zinc/26/51/17/463265117.db2.gz FYEHGOSCLBSCII-ZDUSSCGKSA-N 0 0 338.180 2.299 40 0 EEABRN CC[C@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC000096439254 463266251 /nfs/dbraw/zinc/26/62/51/463266251.db2.gz VTJVDLDVLSYLLM-NEPJUHHUSA-N 0 0 339.427 2.408 40 0 EEABRN Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H]2Cc3ccccc3O2)o1 ZINC000096437778 463266271 /nfs/dbraw/zinc/26/62/71/463266271.db2.gz JYTYBOPVXMBOCH-KBXCAEBGSA-N 0 0 330.384 2.098 40 0 EEABRN Cc1cc(C(=O)OCc2ccc3n[nH]nc3c2)ccc1-n1cncn1 ZINC000096441984 463267283 /nfs/dbraw/zinc/26/72/83/463267283.db2.gz VWEZILNJWAQNCC-UHFFFAOYSA-N 0 0 334.339 2.204 40 0 EEABRN CN(CCOC(=O)[C@H]1CC(=O)Nc2ccccc21)CC(F)(F)F ZINC000096442311 463268682 /nfs/dbraw/zinc/26/86/82/463268682.db2.gz WRQLTBIOKHUURE-NSHDSACASA-N 0 0 330.306 2.150 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)NC[C@@H](C)c2cccs2)c1 ZINC000096451328 463272855 /nfs/dbraw/zinc/27/28/55/463272855.db2.gz SMMIHXXNGKPRGB-SECBINFHSA-N 0 0 344.483 2.251 40 0 EEABRN CCOc1ccccc1N1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000096467604 463278011 /nfs/dbraw/zinc/27/80/11/463278011.db2.gz KAFIBPAWSSHTJS-UHFFFAOYSA-N 0 0 347.488 2.325 40 0 EEABRN O=C(C[C@H]1COCCN1C(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC000096466929 463278373 /nfs/dbraw/zinc/27/83/73/463278373.db2.gz WSECAEHUTANLJE-HNNXBMFYSA-N 0 0 339.395 2.401 40 0 EEABRN C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CN(C)CCO1 ZINC000096485916 463283774 /nfs/dbraw/zinc/28/37/74/463283774.db2.gz HCGYXNCIENVKEV-XHDPSFHLSA-N 0 0 343.830 2.340 40 0 EEABRN C[C@@H](C(=O)N1CCc2cc(Br)sc2C1)n1cncn1 ZINC000096485638 463283953 /nfs/dbraw/zinc/28/39/53/463283953.db2.gz GHCFOZAWKSPNBF-QMMMGPOBSA-N 0 0 341.234 2.248 40 0 EEABRN CNC(=O)c1cccc(C(=O)N[C@H](C)CC(=O)c2cccs2)c1 ZINC000096487267 463284713 /nfs/dbraw/zinc/28/47/13/463284713.db2.gz ZTXYGVTWVVYFCB-LLVKDONJSA-N 0 0 330.409 2.499 40 0 EEABRN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCc3c2cccc3C)c1 ZINC000096489063 463285154 /nfs/dbraw/zinc/28/51/54/463285154.db2.gz NLFKQCAPMNIQIH-UHFFFAOYSA-N 0 0 330.409 2.154 40 0 EEABRN COc1cccc([C@H](O)C(=O)NCCc2cn3cccc(C)c3n2)c1 ZINC000096487097 463285388 /nfs/dbraw/zinc/28/53/88/463285388.db2.gz FXMOKMIMPDJEQM-KRWDZBQOSA-N 0 0 339.395 2.044 40 0 EEABRN COCC(=O)N1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000096489646 463285514 /nfs/dbraw/zinc/28/55/14/463285514.db2.gz OICVRDWOBMJRAJ-UHFFFAOYSA-N 0 0 325.412 2.039 40 0 EEABRN COCCS(=O)(=O)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096492640 463288004 /nfs/dbraw/zinc/28/80/04/463288004.db2.gz QCBTZBRGOSCVSM-CYBMUJFWSA-N 0 0 337.445 2.027 40 0 EEABRN O=C(Cc1cc[nH]n1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495848 463289116 /nfs/dbraw/zinc/28/91/16/463289116.db2.gz IBZGGTNUUJZKFH-AWEZNQCLSA-N 0 0 336.399 2.144 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](Cn2nc(-c3ccco3)oc2=O)C1 ZINC000096494609 463289318 /nfs/dbraw/zinc/28/93/18/463289318.db2.gz QTCFLWFGWRJPQJ-LLVKDONJSA-N 0 0 335.360 2.353 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000096658871 463295359 /nfs/dbraw/zinc/29/53/59/463295359.db2.gz AEHSBGKGEKBRIC-UHFFFAOYSA-N 0 0 332.425 2.456 40 0 EEABRN Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)c2ccncc2)ccc1F ZINC000069717308 463310482 /nfs/dbraw/zinc/31/04/82/463310482.db2.gz KTZKGUARJGMRMX-JTQLQIEISA-N 0 0 341.350 2.388 40 0 EEABRN O=C(N[C@@H]1COc2ccccc21)N1CCN(Cc2ccccn2)CC1 ZINC000097096527 463322980 /nfs/dbraw/zinc/32/29/80/463322980.db2.gz XCEFOOBAHOMFCG-QGZVFWFLSA-N 0 0 338.411 2.043 40 0 EEABRN COC(=O)C1(c2ccccc2)CCN(c2ncnc3nc[nH]c32)CC1 ZINC000097104681 463325413 /nfs/dbraw/zinc/32/54/13/463325413.db2.gz WXTOGJZDXYYHOE-UHFFFAOYSA-N 0 0 337.383 2.064 40 0 EEABRN CCCn1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cn1 ZINC000097233168 463350871 /nfs/dbraw/zinc/35/08/71/463350871.db2.gz UXNUTRWWGQGNAT-CYBMUJFWSA-N 0 0 343.435 2.242 40 0 EEABRN Cc1nccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000097376473 463356979 /nfs/dbraw/zinc/35/69/79/463356979.db2.gz QPVPICDSHMMKIR-IAGOWNOFSA-N 0 0 337.427 2.173 40 0 EEABRN CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032967791 463406218 /nfs/dbraw/zinc/40/62/18/463406218.db2.gz GNMYBDBDRDTOMO-CQSZACIVSA-N 0 0 338.473 2.392 40 0 EEABRN O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000081701264 463480608 /nfs/dbraw/zinc/48/06/08/463480608.db2.gz GUAHQAFQAMFEGG-ICSRJNTNSA-N 0 0 333.391 2.189 40 0 EEABRN COc1ccc(OC)c2c(=O)c(I)c[nH]c12 ZINC000072207178 463482101 /nfs/dbraw/zinc/48/21/01/463482101.db2.gz BRBNHHVKNXJKIZ-UHFFFAOYSA-N 0 0 331.109 2.150 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000057427638 463487867 /nfs/dbraw/zinc/48/78/67/463487867.db2.gz WELZEVFSUCFHOJ-MRXNPFEDSA-N 0 0 346.452 2.248 40 0 EEABRN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ncccc1Br ZINC000081764144 463489203 /nfs/dbraw/zinc/48/92/03/463489203.db2.gz WMKAYDRAWZFNNT-QMMMGPOBSA-N 0 0 338.161 2.194 40 0 EEABRN Cn1nccc1C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12 ZINC000072342958 463509725 /nfs/dbraw/zinc/50/97/25/463509725.db2.gz JVJLPJRXIAETNW-UHFFFAOYSA-N 0 0 348.410 2.163 40 0 EEABRN COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000042163126 463548490 /nfs/dbraw/zinc/54/84/90/463548490.db2.gz DIZHFAXKTGFKSU-LBPRGKRZSA-N 0 0 334.397 2.001 40 0 EEABRN COc1c(C)cnc(CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1C ZINC000084093913 463576818 /nfs/dbraw/zinc/57/68/18/463576818.db2.gz RWTGTNCHMXBISM-CABCVRRESA-N 0 0 326.462 2.105 40 0 EEABRN CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646305 463583138 /nfs/dbraw/zinc/58/31/38/463583138.db2.gz OPEUVCIBAGKZKW-MRVPVSSYSA-N 0 0 338.713 2.184 40 0 EEABRN Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000073179680 463592083 /nfs/dbraw/zinc/59/20/83/463592083.db2.gz CIMNWFLWWZVCHM-SNVBAGLBSA-N 0 0 341.375 2.458 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@]2(CCN(CC3CC3)C2=O)CC1 ZINC000108535892 463612182 /nfs/dbraw/zinc/61/21/82/463612182.db2.gz PFGDHBZRFBXPMB-LJQANCHMSA-N 0 0 334.460 2.054 40 0 EEABRN CC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n(C)n1 ZINC000085262854 463642202 /nfs/dbraw/zinc/64/22/02/463642202.db2.gz NMQNDHLPUWYEDH-UHFFFAOYSA-N 0 0 349.504 2.183 40 0 EEABRN CNS(=O)(=O)c1cc(NC(=O)N[C@@H](C)c2cccnc2)ccc1C ZINC000043691761 463652634 /nfs/dbraw/zinc/65/26/34/463652634.db2.gz OYPYHPSMZYDXBY-LBPRGKRZSA-N 0 0 348.428 2.181 40 0 EEABRN C[C@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000044871488 463697247 /nfs/dbraw/zinc/69/72/47/463697247.db2.gz OHQJSBIAIICKMO-STQMWFEESA-N 0 0 333.457 2.064 40 0 EEABRN Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000044894616 463699176 /nfs/dbraw/zinc/69/91/76/463699176.db2.gz QIACWUREAPSXPQ-CYBMUJFWSA-N 0 0 329.425 2.429 40 0 EEABRN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000276760861 463746482 /nfs/dbraw/zinc/74/64/82/463746482.db2.gz MHFNGABNPSJEJV-SOLBZPMBSA-N 0 0 339.395 2.234 40 0 EEABRN CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257282259 463759388 /nfs/dbraw/zinc/75/93/88/463759388.db2.gz OTBAUTBBESIHEJ-AWEZNQCLSA-N 0 0 333.823 2.059 40 0 EEABRN O=C(Cc1ccccn1)N1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257279693 463759901 /nfs/dbraw/zinc/75/99/01/463759901.db2.gz OHTPNBWPJWIEKQ-UHFFFAOYSA-N 0 0 349.434 2.314 40 0 EEABRN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@H+](CC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257286634 463762934 /nfs/dbraw/zinc/76/29/34/463762934.db2.gz PMHQSRPQYLWKDL-MDRZDLKXSA-N 0 0 347.411 2.416 40 0 EEABRN CNC(=O)CN1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257286208 463762987 /nfs/dbraw/zinc/76/29/87/463762987.db2.gz PKSPHPQUZZKPQK-HNNXBMFYSA-N 0 0 325.416 2.146 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ccn1 ZINC000257296279 463767777 /nfs/dbraw/zinc/76/77/77/463767777.db2.gz RCAVGIUYOJQCOP-HNNXBMFYSA-N 0 0 332.473 2.438 40 0 EEABRN Cc1cccc(N2CCC[C@H](N(C)C(=O)CCc3ccnn3C)C2)n1 ZINC000257311241 463773913 /nfs/dbraw/zinc/77/39/13/463773913.db2.gz UIQJEFWUAFZMLP-KRWDZBQOSA-N 0 0 341.459 2.184 40 0 EEABRN Cc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)s1 ZINC000257315577 463775393 /nfs/dbraw/zinc/77/53/93/463775393.db2.gz VCAGEEHJOGVVRN-KRWDZBQOSA-N 0 0 349.431 2.352 40 0 EEABRN CCc1cc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)on1 ZINC000257322846 463777527 /nfs/dbraw/zinc/77/75/27/463777527.db2.gz WHQVAGHINBTGJR-UHFFFAOYSA-N 0 0 341.415 2.158 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 ZINC000257321931 463778306 /nfs/dbraw/zinc/77/83/06/463778306.db2.gz WDXDLDCDUNASGD-AWEZNQCLSA-N 0 0 332.429 2.031 40 0 EEABRN CN(C)c1cc(CC[C@H]2CN(Cc3ccccn3)CCO2)ccn1 ZINC000257328449 463779991 /nfs/dbraw/zinc/77/99/91/463779991.db2.gz XFRCWQWJZZJAGF-SFHVURJKSA-N 0 0 326.444 2.376 40 0 EEABRN CC(=O)N1CC2(CCN(Cc3ncccc3F)CC2)C[C@@H](O)C1(C)C ZINC000257336979 463784069 /nfs/dbraw/zinc/78/40/69/463784069.db2.gz YQWRDOOFXBZMKU-QGZVFWFLSA-N 0 0 349.450 2.195 40 0 EEABRN Cn1nccc1CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257343895 463787196 /nfs/dbraw/zinc/78/71/96/463787196.db2.gz ZUUKZISUQOUNRQ-OALUTQOASA-N 0 0 327.428 2.370 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)on1 ZINC000195535572 464073000 /nfs/dbraw/zinc/07/30/00/464073000.db2.gz OXNXVXPSQFPFTH-BWFKNJDFSA-N 0 0 327.450 2.116 40 0 EEABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC ZINC000222904905 464134463 /nfs/dbraw/zinc/13/44/63/464134463.db2.gz QLHGOWOTCIXHIQ-AWEZNQCLSA-N 0 0 338.423 2.496 40 0 EEABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCCO ZINC000222833931 464134768 /nfs/dbraw/zinc/13/47/68/464134768.db2.gz XHOZMQAJVDXEKZ-CYBMUJFWSA-N 0 0 340.851 2.212 40 0 EEABRN CCC[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223412989 464141962 /nfs/dbraw/zinc/14/19/62/464141962.db2.gz ORCLCAYQXSSFAD-LBPRGKRZSA-N 0 0 346.880 2.406 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccccc1F ZINC000223665841 464145619 /nfs/dbraw/zinc/14/56/19/464145619.db2.gz SUWDYQCWZHZNNB-UHFFFAOYSA-N 0 0 340.420 2.208 40 0 EEABRN CN(Cc1ccco1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224514132 464151393 /nfs/dbraw/zinc/15/13/93/464151393.db2.gz JJHNIZWMLOCHJE-UHFFFAOYSA-N 0 0 348.424 2.482 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225232517 464154803 /nfs/dbraw/zinc/15/48/03/464154803.db2.gz OICOQVDSVLZJIV-CHWSQXEVSA-N 0 0 342.461 2.010 40 0 EEABRN CCN(C)C(=O)CNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000225443545 464159952 /nfs/dbraw/zinc/15/99/52/464159952.db2.gz RCEFQNKCVRGLSS-UHFFFAOYSA-N 0 0 346.324 2.471 40 0 EEABRN COc1cncc(O[C@H]2CCCN(C(=O)NCc3cccs3)C2)n1 ZINC000225501044 464166392 /nfs/dbraw/zinc/16/63/92/464166392.db2.gz BFRGUVTZJACRQZ-LBPRGKRZSA-N 0 0 348.428 2.300 40 0 EEABRN CCOC(=O)c1cccc(NC(=S)NCCCn2ccnc2)c1 ZINC000225521423 464167581 /nfs/dbraw/zinc/16/75/81/464167581.db2.gz QRKIOZYJAARHCF-UHFFFAOYSA-N 0 0 332.429 2.437 40 0 EEABRN CC(=O)c1ccc(CCNS(=O)(=O)c2cn(C(C)C)cn2)s1 ZINC000225674295 464179537 /nfs/dbraw/zinc/17/95/37/464179537.db2.gz QFLUQOGNDGJMJX-UHFFFAOYSA-N 0 0 341.458 2.249 40 0 EEABRN O=C(CCNC(=O)c1ccco1)Nc1cc(C(F)(F)F)ccn1 ZINC000180559858 464336166 /nfs/dbraw/zinc/33/61/66/464336166.db2.gz MRPHOFWYUSDJPC-UHFFFAOYSA-N 0 0 327.262 2.452 40 0 EEABRN COc1ccc(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)N3C(C)=O)cc1OC ZINC000238744801 464438089 /nfs/dbraw/zinc/43/80/89/464438089.db2.gz HZEOENYXYFFKIU-QDMKHBRRSA-N 0 0 333.384 2.403 40 0 biogenic EEABRN Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1cccc(OC(F)F)c1)CC2 ZINC000238839455 464438837 /nfs/dbraw/zinc/43/88/37/464438837.db2.gz HMYYXYWWBIUCKU-JTQLQIEISA-N 0 0 349.337 2.125 40 0 EEABRN O=C(c1cc2cc(F)ccc2s1)N1CC(N2C(=O)CCC2=O)C1 ZINC000238954724 464441264 /nfs/dbraw/zinc/44/12/64/464441264.db2.gz XSCJYGMZYFEXCI-UHFFFAOYSA-N 0 0 332.356 2.014 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000239782436 464444007 /nfs/dbraw/zinc/44/40/07/464444007.db2.gz COODIFSMHKQPSZ-GXTWGEPZSA-N 0 0 343.420 2.085 40 0 EEABRN O=C1[C@@H](N(CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470689 464452957 /nfs/dbraw/zinc/45/29/57/464452957.db2.gz NXAVVXLCZDLZDT-KRWDZBQOSA-N 0 0 345.830 2.335 40 0 EEABRN O=C(CN[C@H](c1nc[nH]n1)c1ccccc1)Nc1cccc(F)c1 ZINC000241515557 464453663 /nfs/dbraw/zinc/45/36/63/464453663.db2.gz OGGCIPXFQKGBII-INIZCTEOSA-N 0 0 325.347 2.262 40 0 EEABRN Cc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000244472837 464460891 /nfs/dbraw/zinc/46/08/91/464460891.db2.gz ZHMLDXPWWYGGQD-QGZVFWFLSA-N 0 0 330.428 2.142 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000245174048 464466775 /nfs/dbraw/zinc/46/67/75/464466775.db2.gz YIADLIXTYUCEKX-SECBINFHSA-N 0 0 325.415 2.080 40 0 EEABRN C[C@@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C[C@H]1n1ccnc1 ZINC000245289624 464469685 /nfs/dbraw/zinc/46/96/85/464469685.db2.gz DBTOSCYNIITNAU-RHSMWYFYSA-N 0 0 337.427 2.213 40 0 EEABRN CC[C@]1(C)CN(C(=O)Nc2cnn(Cc3ccccn3)c2)CCO1 ZINC000190011130 464584453 /nfs/dbraw/zinc/58/44/53/464584453.db2.gz URDGDXWCKOXSGP-QGZVFWFLSA-N 0 0 329.404 2.359 40 0 EEABRN CCn1cc(C2CCN(C(=O)NCCCc3nc(C)no3)CC2)cn1 ZINC000265723519 464661302 /nfs/dbraw/zinc/66/13/02/464661302.db2.gz HSMMACHASTVSBA-UHFFFAOYSA-N 0 0 346.435 2.116 40 0 EEABRN CNS(=O)(=O)c1cc(-c2nc(Cc3cccc(C)c3)no2)c(C)o1 ZINC000273635162 464723236 /nfs/dbraw/zinc/72/32/36/464723236.db2.gz BCFWIUWXTCVZKC-UHFFFAOYSA-N 0 0 347.396 2.445 40 0 EEABRN COCC[C@@H]1CCOC2(CN(C(=O)COc3ccc(C)cc3)C2)C1 ZINC000248028516 464724712 /nfs/dbraw/zinc/72/47/12/464724712.db2.gz PBDQJEIHPWNCBD-MRXNPFEDSA-N 0 0 333.428 2.418 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2nn(C)c3ccccc32)Cc2cncn21 ZINC000248080900 464728106 /nfs/dbraw/zinc/72/81/06/464728106.db2.gz VHXSVSUQNWWVBB-CQSZACIVSA-N 0 0 339.399 2.003 40 0 EEABRN Cc1ccccc1CN1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O ZINC000248166298 464736823 /nfs/dbraw/zinc/73/68/23/464736823.db2.gz RMZPRHXMWNJGSV-SFHVURJKSA-N 0 0 349.496 2.411 40 0 EEABRN C[C@H](c1nnnn1C1CC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000192061619 464857756 /nfs/dbraw/zinc/85/77/56/464857756.db2.gz CIOZFQXCPYEKNL-CJNGLKHVSA-N 0 0 335.452 2.119 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@H]3COCc2cccnc2)cn1 ZINC000249691936 464903842 /nfs/dbraw/zinc/90/38/42/464903842.db2.gz LZOUVTWHOMVVLP-SFHVURJKSA-N 0 0 342.443 2.106 40 0 EEABRN O=C(NCc1cc(Cl)cc2c1OCC2)c1c[nH]nc1[C@H]1CCOC1 ZINC000276473085 464946187 /nfs/dbraw/zinc/94/61/87/464946187.db2.gz ZBCPTFANRHXNRS-NSHDSACASA-N 0 0 347.802 2.432 40 0 EEABRN C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000253369600 464993798 /nfs/dbraw/zinc/99/37/98/464993798.db2.gz FKXGBEQOESQGSR-MJBXVCDLSA-N 0 0 333.436 2.028 40 0 EEABRN C[C@H](O)[C@H]1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)C1 ZINC000253369420 464993811 /nfs/dbraw/zinc/99/38/11/464993811.db2.gz CHSLOJIBSWHEOZ-BHYGNILZSA-N 0 0 342.443 2.116 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN([C@@H](C)c3ccccn3)CC2)n1 ZINC000192784945 464996482 /nfs/dbraw/zinc/99/64/82/464996482.db2.gz YDLXUVFUAOCLLB-LSDHHAIUSA-N 0 0 327.432 2.325 40 0 EEABRN CNc1nc(C)cc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)n1 ZINC000253418050 465005833 /nfs/dbraw/zinc/00/58/33/465005833.db2.gz DDKVMHSYVYHSAD-MRXNPFEDSA-N 0 0 340.427 2.301 40 0 EEABRN CCNC(=O)c1ccc(N2CC[C@@H](OCc3ccncc3)C2)nc1 ZINC000192907049 465014556 /nfs/dbraw/zinc/01/45/56/465014556.db2.gz SRAIYVSZDGFPCG-MRXNPFEDSA-N 0 0 326.400 2.022 40 0 EEABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000408586473 466681514 /nfs/dbraw/zinc/68/15/14/466681514.db2.gz AIMQGPTZWAACHR-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN COC(=O)c1cn([C@@H](C)C(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000409207247 466686773 /nfs/dbraw/zinc/68/67/73/466686773.db2.gz UMTBUTASVLRDAH-STQMWFEESA-N 0 0 330.384 2.284 40 0 EEABRN O=C(c1cccc(-n2cccn2)c1)N1CC(OCC(F)(F)F)C1 ZINC000390829899 467412728 /nfs/dbraw/zinc/41/27/28/467412728.db2.gz HJHCIHXOAYSFOL-UHFFFAOYSA-N 0 0 325.290 2.276 40 0 EEABRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1cnccn1 ZINC000390835404 467415142 /nfs/dbraw/zinc/41/51/42/467415142.db2.gz MSUXBVZTFSPQDI-UHFFFAOYSA-N 0 0 340.383 2.497 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000575405085 468141357 /nfs/dbraw/zinc/14/13/57/468141357.db2.gz RVJZCZKSDRHTJY-LBPRGKRZSA-N 0 0 345.424 2.411 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000575404014 468141769 /nfs/dbraw/zinc/14/17/69/468141769.db2.gz LAFFROGXMKXESF-AWEZNQCLSA-N 0 0 328.368 2.436 40 0 EEABRN C[C@]1(NC(=O)Oc2ccc(-n3cccc3)cc2)CCS(=O)(=O)C1 ZINC000575422164 468143872 /nfs/dbraw/zinc/14/38/72/468143872.db2.gz ADZUMVGWLQYOPG-INIZCTEOSA-N 0 0 334.397 2.143 40 0 EEABRN Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575604871 468145781 /nfs/dbraw/zinc/14/57/81/468145781.db2.gz GUQDFEMTQUDRAF-LBPRGKRZSA-N 0 0 335.795 2.154 40 0 EEABRN O=C(CN1Cc2cccn2C[C@H](CCOCC2CC2)C1)N1CCCC1 ZINC000585095107 468964744 /nfs/dbraw/zinc/96/47/44/468964744.db2.gz FUFYZWKEDFFSCD-GOSISDBHSA-N 0 0 345.487 2.359 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@@H]2C ZINC000585097426 468965481 /nfs/dbraw/zinc/96/54/81/468965481.db2.gz LNNTXXXVGVGBIC-CQSZACIVSA-N 0 0 328.416 2.269 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1 ZINC000585097498 468965510 /nfs/dbraw/zinc/96/55/10/468965510.db2.gz MJUCPRSAXWQYEF-MRXNPFEDSA-N 0 0 344.415 2.329 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C ZINC000585097655 468965599 /nfs/dbraw/zinc/96/55/99/468965599.db2.gz MFHFAHSBMQOGLJ-CYBMUJFWSA-N 0 0 332.448 2.188 40 0 EEABRN Cc1ccc(OC[C@H]2CCn3nccc3CN2Cc2cn[nH]c2)cn1 ZINC000585098367 468966772 /nfs/dbraw/zinc/96/67/72/468966772.db2.gz WXQKXCJGDJTYEO-QGZVFWFLSA-N 0 0 338.415 2.163 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)CC2=CCCCC2)C1 ZINC000585099241 468967660 /nfs/dbraw/zinc/96/76/60/468967660.db2.gz XZOUFMLLCDXCPW-INIZCTEOSA-N 0 0 329.444 2.473 40 0 EEABRN O=C(CC1CC1)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 ZINC000585112174 468975417 /nfs/dbraw/zinc/97/54/17/468975417.db2.gz KJTJBMPFCQUWEN-HNNXBMFYSA-N 0 0 328.416 2.339 40 0 EEABRN CC(C)n1nccc1C(=O)NCCNc1ncnc2sccc21 ZINC000585139964 468989020 /nfs/dbraw/zinc/98/90/20/468989020.db2.gz AXSZHCFRGCYVEV-UHFFFAOYSA-N 0 0 330.417 2.311 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)Nc2cccc(CO)c2Cl)c1C ZINC000585140253 468989210 /nfs/dbraw/zinc/98/92/10/468989210.db2.gz AVFKJTSZRHQGIT-UHFFFAOYSA-N 0 0 343.836 2.466 40 0 EEABRN CCn1ccc(CC(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)n1 ZINC000585141642 468992022 /nfs/dbraw/zinc/99/20/22/468992022.db2.gz YOFDPJWZARHYHW-CYBMUJFWSA-N 0 0 349.460 2.072 40 0 EEABRN CC(=O)Nc1ncc(-c2cnc([C@@H]3CCCN(C(C)=O)C3)cn2)s1 ZINC000585260991 468995167 /nfs/dbraw/zinc/99/51/67/468995167.db2.gz LQNULXUVNJPAKD-GFCCVEGCSA-N 0 0 345.428 2.284 40 0 EEABRN O=C(Cc1ccncc1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585275347 468999165 /nfs/dbraw/zinc/99/91/65/468999165.db2.gz AUZOJAVYQUJBQV-LJQANCHMSA-N 0 0 344.386 2.196 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCCN(C(=O)c2cccn2C)C1 ZINC000585276352 469000324 /nfs/dbraw/zinc/00/03/24/469000324.db2.gz IRSQKWMNICLERI-IBGZPJMESA-N 0 0 328.412 2.380 40 0 EEABRN CO[C@H]1CCCN(C(=O)C2CCC(F)(F)CC2)[C@H]1CCC(N)=O ZINC000585276523 469000978 /nfs/dbraw/zinc/00/09/78/469000978.db2.gz BBLNQBAQDCSBBP-STQMWFEESA-N 0 0 332.391 2.083 40 0 EEABRN Cc1nocc1C(=O)N1CCC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585278608 469005055 /nfs/dbraw/zinc/00/50/55/469005055.db2.gz UNPOCMXHQWOCMW-SFHVURJKSA-N 0 0 330.384 2.338 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 ZINC000585278555 469005112 /nfs/dbraw/zinc/00/51/12/469005112.db2.gz UDDCIVPCBUOSMT-IRXDYDNUSA-N 0 0 331.391 2.250 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cccc3ncccc32)C1 ZINC000585279708 469006603 /nfs/dbraw/zinc/00/66/03/469006603.db2.gz XUSWUUJFECYETR-IBGZPJMESA-N 0 0 341.411 2.122 40 0 EEABRN CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc3ccccc3c2)[C@@H]1OC ZINC000585288406 469009275 /nfs/dbraw/zinc/00/92/75/469009275.db2.gz ZUUJQLSGAHXWFO-KURKYZTESA-N 0 0 329.396 2.341 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585289628 469012277 /nfs/dbraw/zinc/01/22/77/469012277.db2.gz SQQYPMFGGSAINO-INIZCTEOSA-N 0 0 325.767 2.372 40 0 EEABRN O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC2(CC2(F)F)CC1 ZINC000649945640 470750217 /nfs/dbraw/zinc/75/02/17/470750217.db2.gz IUTAUDUSJWAOSP-UHFFFAOYSA-N 0 0 334.330 2.315 40 0 EEABRN COCCn1cc(CNC(=O)NC2CCC3(CC3(F)F)CC2)cn1 ZINC000661127581 471634339 /nfs/dbraw/zinc/63/43/39/471634339.db2.gz JJTZAWVYVJRMAL-UHFFFAOYSA-N 0 0 342.390 2.297 40 0 EEABRN O=C(c1cncc(N2CCOCC2)c1)N1CCC=C(c2ccco2)C1 ZINC000672066602 486042078 /nfs/dbraw/zinc/04/20/78/486042078.db2.gz DEEVIEGBVOZZKU-UHFFFAOYSA-N 0 0 339.395 2.441 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CCCO1 ZINC000171305268 534330918 /nfs/dbraw/zinc/33/09/18/534330918.db2.gz XQUFDDPUEGSJHA-WBVHZDCISA-N 0 0 345.443 2.171 40 0 EEABRN Cc1cnc([C@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000131551628 534655526 /nfs/dbraw/zinc/65/55/26/534655526.db2.gz CNXOAJYDHBUWEO-LBPRGKRZSA-N 0 0 332.429 2.174 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000245339334 525158337 /nfs/dbraw/zinc/15/83/37/525158337.db2.gz SCJWDNBHMDHMTN-RHYQMDGZSA-N 0 0 327.783 2.191 40 0 EEABRN Cc1nc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)no1 ZINC000096407770 526840504 /nfs/dbraw/zinc/84/05/04/526840504.db2.gz SWNRURIJPQXUAZ-NSHDSACASA-N 0 0 345.321 2.269 40 0 EEABRN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000245634579 526958545 /nfs/dbraw/zinc/95/85/45/526958545.db2.gz VZHPQFWMOSRKDG-QZTJIDSGSA-N 0 0 328.387 2.296 40 0 EEABRN O=C(CSc1ccc(F)cc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 ZINC000245093471 527035290 /nfs/dbraw/zinc/03/52/90/527035290.db2.gz ROUWVEAAEVDDLJ-YUELXQCFSA-N 0 0 325.405 2.371 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408705650 528003503 /nfs/dbraw/zinc/00/35/03/528003503.db2.gz KMOWETVPGMRGDG-UHFFFAOYSA-N 0 0 330.425 2.240 40 0 EEABRN CCCCc1nc(CN2CCO[C@H](c3nccnc3NC)C2)c[nH]1 ZINC000257203002 535103181 /nfs/dbraw/zinc/10/31/81/535103181.db2.gz AOFSVKXKHPVETL-AWEZNQCLSA-N 0 0 330.436 2.158 40 0 EEABRN CCn1ccc(C(=O)N2CCC[C@@]2(C)c2nc(C)cc(N(C)C)n2)n1 ZINC000257258570 536095209 /nfs/dbraw/zinc/09/52/09/536095209.db2.gz KUPHAIAKRNHBBJ-SFHVURJKSA-N 0 0 342.447 2.219 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)on1 ZINC000257263451 536108418 /nfs/dbraw/zinc/10/84/18/536108418.db2.gz LPZFZYVPHDVYRF-INIZCTEOSA-N 0 0 327.384 2.283 40 0 EEABRN COC(=O)Cc1occc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000225803318 536373613 /nfs/dbraw/zinc/37/36/13/536373613.db2.gz MTADUZPQWOUXGC-AWEZNQCLSA-N 0 0 345.399 2.323 40 0 EEABRN COC(=O)c1ccc(C(=O)[C@H](O)c2ccc(C(=O)OC)cc2)cc1 ZINC000034227447 1188608492 /nfs/dbraw/zinc/60/84/92/1188608492.db2.gz XFRIKHRKYHJNTP-OAHLLOKOSA-N 0 0 328.320 2.176 40 0 EEABRN CCn1nc(C2CC2)cc1C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000903991565 1242897176 /nfs/dbraw/zinc/89/71/76/1242897176.db2.gz KCSPHARFQRSKHF-UHFFFAOYSA-N 0 0 337.387 2.317 40 0 EEABRN CCn1nc(C)c2c1nc(C)cc2C(=O)NCCCn1ccnc1 ZINC000028222258 1352374032 /nfs/dbraw/zinc/37/40/32/1352374032.db2.gz BVEIPZTYHMNMPZ-UHFFFAOYSA-N 0 0 326.404 2.085 40 0 EEABRN CC(C)CC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000051385296 214092529 /nfs/dbraw/zinc/09/25/29/214092529.db2.gz BOUKADZRPDVUAI-UHFFFAOYSA-N 0 0 346.427 2.225 40 0 EEABRN Cc1ccc(N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000097953517 219063709 /nfs/dbraw/zinc/06/37/09/219063709.db2.gz IICYQUASLSALMK-VBQJREDUSA-N 0 0 342.399 2.110 40 0 EEABRN CC(C)S(=O)(=O)CC(=O)N1CCCc2cccc(OC(F)F)c21 ZINC000098106683 219083815 /nfs/dbraw/zinc/08/38/15/219083815.db2.gz IWFYWGXEIOBJGW-UHFFFAOYSA-N 0 0 347.383 2.390 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC000100809816 219107413 /nfs/dbraw/zinc/10/74/13/219107413.db2.gz QHIWWLORQJESCI-OKILXGFUSA-N 0 0 326.437 2.365 40 0 EEABRN CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000155018979 529950325 /nfs/dbraw/zinc/95/03/25/529950325.db2.gz CLKOYBHTNSLWIW-LBPRGKRZSA-N 0 0 341.205 2.025 40 0 EEABRN Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004217944 210147141 /nfs/dbraw/zinc/14/71/41/210147141.db2.gz GLUTWPUKCWFWFI-UHFFFAOYSA-N 0 0 328.763 2.214 40 0 EEABRN Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCCC2)cc1 ZINC000004190467 210141692 /nfs/dbraw/zinc/14/16/92/210141692.db2.gz TWSYWSNEZGWCDO-IAGOWNOFSA-N 0 0 327.432 2.346 40 0 EEABRN O=C(c1cnc(Cc2ccc(F)cc2)s1)N1CCCS1(=O)=O ZINC000066230635 215025345 /nfs/dbraw/zinc/02/53/45/215025345.db2.gz YOIPSQIQPZMZDD-UHFFFAOYSA-N 0 0 340.401 2.049 40 0 EEABRN O=C(Nc1nccs1)C1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000044226687 213613204 /nfs/dbraw/zinc/61/32/04/213613204.db2.gz RJELYNYCBKPFEC-UHFFFAOYSA-N 0 0 346.412 2.499 40 0 EEABRN CCOC(=O)[C@@H](CNc1cccc(C)n1)S(=O)(=O)c1ccccc1 ZINC000067172635 215120334 /nfs/dbraw/zinc/12/03/34/215120334.db2.gz VEJFXASGHZFZRL-OAHLLOKOSA-N 0 0 348.424 2.208 40 0 EEABRN COc1ccccc1CNC(=O)[C@]1(C)Oc2ccccc2NC1=O ZINC000040776396 213385233 /nfs/dbraw/zinc/38/52/33/213385233.db2.gz GQRKCGUHDAESMY-SFHVURJKSA-N 0 0 326.352 2.101 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)CCn1ncc2ccc(C)cc21 ZINC000040759283 213383979 /nfs/dbraw/zinc/38/39/79/213383979.db2.gz LAZWJRULKSWFMM-UHFFFAOYSA-N 0 0 325.416 2.402 40 0 EEABRN O=S(=O)(c1ccc(F)cc1Cl)N1CCC(C2OCCO2)CC1 ZINC000069198881 215369237 /nfs/dbraw/zinc/36/92/37/215369237.db2.gz ATWWVTGICUZEQW-UHFFFAOYSA-N 0 0 349.811 2.253 40 0 EEABRN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181539513 234222863 /nfs/dbraw/zinc/22/28/63/234222863.db2.gz VZHPQFWMOSRKDG-MSOLQXFVSA-N 0 0 328.387 2.296 40 0 EEABRN C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc2ccccn21 ZINC000040474105 213311509 /nfs/dbraw/zinc/31/15/09/213311509.db2.gz CXHLHZVQSGNSEY-LLVKDONJSA-N 0 0 335.367 2.105 40 0 EEABRN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H]1c1ccncc1 ZINC000040050705 213255763 /nfs/dbraw/zinc/25/57/63/213255763.db2.gz KUKBVOBZGGWDPD-MRXNPFEDSA-N 0 0 334.379 2.155 40 0 EEABRN Fc1cccnc1O[C@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000247487857 283032686 /nfs/dbraw/zinc/03/26/86/283032686.db2.gz ALZDCAHZFGOFCI-HNNXBMFYSA-N 0 0 329.375 2.428 40 0 EEABRN CCOC(=O)c1ccc(OC(C)=O)c(I)c1 ZINC000039951797 213243960 /nfs/dbraw/zinc/24/39/60/213243960.db2.gz SGENPJBJKKECIT-UHFFFAOYSA-N 0 0 334.109 2.393 40 0 EEABRN CCOC(=O)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000000800892 209686656 /nfs/dbraw/zinc/68/66/56/209686656.db2.gz WOFVBBCPTPCXCX-UHFFFAOYSA-N 0 0 338.791 2.481 40 0 EEABRN Cn1cc(CC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cn1 ZINC000186736929 236002773 /nfs/dbraw/zinc/00/27/73/236002773.db2.gz MWQULIAJHGJRIJ-UHFFFAOYSA-N 0 0 338.333 2.479 40 0 EEABRN CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)o1 ZINC000036644100 213106994 /nfs/dbraw/zinc/10/69/94/213106994.db2.gz GKEGHGLQWMMODS-UHFFFAOYSA-N 0 0 340.430 2.424 40 0 EEABRN O=C(CN1CCN(c2nc3ccccc3s2)CC1)NC1CCCC1 ZINC000036235058 213077852 /nfs/dbraw/zinc/07/78/52/213077852.db2.gz ACPKJAGTUBYCGK-UHFFFAOYSA-N 0 0 344.484 2.477 40 0 EEABRN CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)P(=O)(OC)OC ZINC000035571049 213039543 /nfs/dbraw/zinc/03/95/43/213039543.db2.gz UKCIYRLSZNPVJK-LBPRGKRZSA-N 0 0 345.288 2.288 40 0 EEABRN NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000072056715 216000086 /nfs/dbraw/zinc/00/00/86/216000086.db2.gz LYMQREIOZNKMJB-JKSUJKDBSA-N 0 0 348.399 2.356 40 0 EEABRN NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000000414952 209578163 /nfs/dbraw/zinc/57/81/63/209578163.db2.gz GWXRBDCEPYFMAO-UHFFFAOYSA-N 0 0 329.356 2.102 40 0 EEABRN Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccco3)cc2c1 ZINC000000414275 209577539 /nfs/dbraw/zinc/57/75/39/209577539.db2.gz TZBVWFRISIDISW-UHFFFAOYSA-N 0 0 326.352 2.064 40 0 EEABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCOCC1 ZINC000030863255 212713682 /nfs/dbraw/zinc/71/36/82/212713682.db2.gz TZVDFUNVLJQGFU-GOSISDBHSA-N 0 0 334.460 2.299 40 0 EEABRN Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2\sccn2C)C(C)C)cc1 ZINC000029649742 212676723 /nfs/dbraw/zinc/67/67/23/212676723.db2.gz WSWBVDNEXSGGDQ-RMYFCYLKSA-N 0 0 331.441 2.277 40 0 EEABRN C[C@@H](Cn1c2ccccc2oc1=O)NC(=O)CSc1ccncc1 ZINC000072324329 216151264 /nfs/dbraw/zinc/15/12/64/216151264.db2.gz GTOYZWPRCISJHO-LBPRGKRZSA-N 0 0 343.408 2.287 40 0 EEABRN Cc1nn(CC(=O)N(C)C2CCCCC2)c(=O)c2cc3occc3n21 ZINC000072346385 216159461 /nfs/dbraw/zinc/15/94/61/216159461.db2.gz RPNHJMRRRWXFEH-UHFFFAOYSA-N 0 0 342.399 2.342 40 0 EEABRN O=C(c1ccccn1)N1CCC(n2nnc(-c3ccccc3)n2)CC1 ZINC000072346568 216159463 /nfs/dbraw/zinc/15/94/63/216159463.db2.gz YXUBAPKQYCPYPM-UHFFFAOYSA-N 0 0 334.383 2.212 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)Cc2ccccn2)C[C@@H]1c1ccc(F)cc1 ZINC000072346710 216159487 /nfs/dbraw/zinc/15/94/87/216159487.db2.gz BHGQBCJHQJFKER-SJORKVTESA-N 0 0 342.370 2.178 40 0 EEABRN CN(C)C(=O)CCc1cccc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072354399 216162191 /nfs/dbraw/zinc/16/21/91/216162191.db2.gz PFZZIMQPKTYCJK-HNNXBMFYSA-N 0 0 339.443 2.276 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccs2)C1 ZINC000072369540 216176409 /nfs/dbraw/zinc/17/64/09/216176409.db2.gz PVHGRKJNHNTCBH-LLVKDONJSA-N 0 0 325.459 2.254 40 0 EEABRN Cc1ccc2nc3c(cc2c1)CN(CCN1CCOCC1)C(=O)O3 ZINC000072396339 216192406 /nfs/dbraw/zinc/19/24/06/216192406.db2.gz IBZIOBOCOARRNX-UHFFFAOYSA-N 0 0 327.384 2.190 40 0 EEABRN Cc1ccccc1OCn1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000027972236 212590583 /nfs/dbraw/zinc/59/05/83/212590583.db2.gz UIOUXQNAMOOWAJ-GJZGRUSLSA-N 0 0 329.400 2.477 40 0 EEABRN Cc1nc(NC(=O)CCN2CCCC2=O)ccc1Br ZINC000072512272 216266679 /nfs/dbraw/zinc/26/66/79/216266679.db2.gz KBQRVVKAVUEFRH-UHFFFAOYSA-N 0 0 326.194 2.104 40 0 EEABRN O=C(c1cc2ccccn2c1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000072528486 216269143 /nfs/dbraw/zinc/26/91/43/216269143.db2.gz ADYXGGLEWJQLIT-HNNXBMFYSA-N 0 0 325.393 2.314 40 0 EEABRN CC(C)c1nccn1CCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000073096327 216349576 /nfs/dbraw/zinc/34/95/76/216349576.db2.gz YBLIRZYWZKWKKA-HNNXBMFYSA-N 0 0 340.427 2.318 40 0 EEABRN COc1ccc(O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000023239231 212361821 /nfs/dbraw/zinc/36/18/21/212361821.db2.gz CESZLLMHEQFYIX-BBRMVZONSA-N 0 0 343.379 2.419 40 0 EEABRN C[C@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(-c2cncnc2)cc1 ZINC000074940421 216538592 /nfs/dbraw/zinc/53/85/92/216538592.db2.gz DJDYGBKACVFYOB-SUMWQHHRSA-N 0 0 326.400 2.371 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478570 241326546 /nfs/dbraw/zinc/32/65/46/241326546.db2.gz XHUMFLLNFWAUSZ-IJEWVQPXSA-N 0 0 341.498 2.205 40 0 EEABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCCOC ZINC000222906529 241577533 /nfs/dbraw/zinc/57/75/33/241577533.db2.gz ILJSEUFUDFTBDE-CQSZACIVSA-N 0 0 338.423 2.496 40 0 EEABRN Cc1csc(C(=O)OCCCS(C)(=O)=O)c1Br ZINC000225411558 241850845 /nfs/dbraw/zinc/85/08/45/241850845.db2.gz BXJMRHOPEDTCQR-UHFFFAOYSA-N 0 0 341.248 2.411 40 0 EEABRN Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000225745872 242015049 /nfs/dbraw/zinc/01/50/49/242015049.db2.gz LTVXWCPRJCKNNH-UHFFFAOYSA-N 0 0 335.363 2.048 40 0 EEABRN S=C(NCc1ccccc1CN1CCOCC1)Nc1ccncc1 ZINC000225779044 242031762 /nfs/dbraw/zinc/03/17/62/242031762.db2.gz DVXAUIYZNCFBJI-UHFFFAOYSA-N 0 0 342.468 2.400 40 0 EEABRN CCc1ncnc(NC2CCN(C(=O)c3ccncc3)CC2)c1F ZINC000241776881 243000078 /nfs/dbraw/zinc/00/00/78/243000078.db2.gz RTHNZKZGIWSSJD-UHFFFAOYSA-N 0 0 329.379 2.290 40 0 EEABRN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000252500447 243822633 /nfs/dbraw/zinc/82/26/33/243822633.db2.gz SVWLWDSUXPRJQT-FZMZJTMJSA-N 0 0 333.388 2.088 40 0 EEABRN COC(=O)[C@]12CN(C(=O)c3cnn4ccccc34)C[C@H]1CCCC2 ZINC000253416350 243938189 /nfs/dbraw/zinc/93/81/89/243938189.db2.gz HHEVBSDCTURVRG-FZKQIMNGSA-N 0 0 327.384 2.140 40 0 EEABRN O=C(c1ccnn1-c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000253421325 243959350 /nfs/dbraw/zinc/95/93/50/243959350.db2.gz UQAGTUSNJOHOOS-OAHLLOKOSA-N 0 0 336.399 2.016 40 0 EEABRN C[C@](NC(=O)CN1CCCC1=O)(c1ccc(F)cc1)C(F)(F)F ZINC000253426209 243962981 /nfs/dbraw/zinc/96/29/81/243962981.db2.gz LYXBFFZKPVCDBY-AWEZNQCLSA-N 0 0 332.297 2.342 40 0 EEABRN O=C(c1cncnc1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000257201400 244120785 /nfs/dbraw/zinc/12/07/85/244120785.db2.gz AHODBUWXIFCOEL-IEBWSBKVSA-N 0 0 339.395 2.319 40 0 EEABRN CN(CC(=O)N1CCC[C@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208490 244142244 /nfs/dbraw/zinc/14/22/44/244142244.db2.gz BMJVYCGWRLZPKB-GOSISDBHSA-N 0 0 338.455 2.390 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)n1 ZINC000257226762 244200870 /nfs/dbraw/zinc/20/08/70/244200870.db2.gz FMADZYDLZXRDQZ-OAHLLOKOSA-N 0 0 336.399 2.396 40 0 EEABRN C[C@]1(COc2ccccc2)C[C@@H]2CN(C(=O)c3c[nH]cn3)CC[C@@H]2O1 ZINC000257231334 244213207 /nfs/dbraw/zinc/21/32/07/244213207.db2.gz GGFMZBSYMSMYEL-DKSSEZFCSA-N 0 0 341.411 2.498 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257232820 244218761 /nfs/dbraw/zinc/21/87/61/244218761.db2.gz GMOKTZQKUMEYSE-UHFFFAOYSA-N 0 0 347.382 2.020 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)c2cccnc2)CCN1C(C)=O ZINC000257234116 244222756 /nfs/dbraw/zinc/22/27/56/244222756.db2.gz GSEOVHQQUHKKLL-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN CC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000077262504 216860012 /nfs/dbraw/zinc/86/00/12/216860012.db2.gz IVUTUCBWOAVMJD-XYJFISCASA-N 0 0 348.374 2.068 40 0 biogenic,in-vitro EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 ZINC000257257504 244288115 /nfs/dbraw/zinc/28/81/15/244288115.db2.gz KPXFBCLRHYDOKT-ZDUSSCGKSA-N 0 0 340.383 2.151 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)COc2ccccc2F)C1 ZINC000257266729 244364223 /nfs/dbraw/zinc/36/42/23/244364223.db2.gz MEFPERXGJPBOBW-CYBMUJFWSA-N 0 0 344.390 2.058 40 0 EEABRN Cc1cccc(C[C@@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1 ZINC000257291225 244434773 /nfs/dbraw/zinc/43/47/73/244434773.db2.gz QGEKPIOENFOZOS-HNNXBMFYSA-N 0 0 327.432 2.198 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc(C(C)C)[nH]c3=O)CCO2)n1 ZINC000257294300 244441756 /nfs/dbraw/zinc/44/17/56/244441756.db2.gz QTLVYCWJLBRBJH-AWEZNQCLSA-N 0 0 330.388 2.156 40 0 EEABRN O=C(c1cnccn1)N1CCC2(C[C@@H](Cc3ccccn3)CO2)CC1 ZINC000257300624 244461106 /nfs/dbraw/zinc/46/11/06/244461106.db2.gz RVCSIIRLFJGVPW-OAHLLOKOSA-N 0 0 338.411 2.126 40 0 EEABRN Cc1nn(C)c(C)c1CN(C)C(=O)CC1CCN(C(=O)C(C)C)CC1 ZINC000019748744 212061993 /nfs/dbraw/zinc/06/19/93/212061993.db2.gz MCNJXCKDXGCOHU-UHFFFAOYSA-N 0 0 348.491 2.280 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746719 212061443 /nfs/dbraw/zinc/06/14/43/212061443.db2.gz HJIWBNQOLUXTCO-SFHVURJKSA-N 0 0 332.448 2.030 40 0 EEABRN COCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019594294 212050403 /nfs/dbraw/zinc/05/04/03/212050403.db2.gz RJZLFWBUOZMHDQ-LBPRGKRZSA-N 0 0 345.374 2.075 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019373432 212024128 /nfs/dbraw/zinc/02/41/28/212024128.db2.gz KHPRMICZGOGDHZ-ZDUSSCGKSA-N 0 0 337.383 2.138 40 0 EEABRN O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019347600 212019023 /nfs/dbraw/zinc/01/90/23/212019023.db2.gz PGBZQFRFCVEVBB-IJEWVQPXSA-N 0 0 328.387 2.322 40 0 EEABRN COCC(=O)N[C@H](C(=O)NC[C@@H]1CCCc2ccccc21)C(C)C ZINC000078077293 217019052 /nfs/dbraw/zinc/01/90/52/217019052.db2.gz HOMYRFKWHGUPKH-YJBOKZPZSA-N 0 0 332.444 2.010 40 0 EEABRN Cc1ccc(-c2noc([C@H]3CCN3C(=O)c3ccc(=O)[nH]n3)n2)s1 ZINC000019217541 212005013 /nfs/dbraw/zinc/00/50/13/212005013.db2.gz ODWCFGYBBTYCLV-SNVBAGLBSA-N 0 0 343.368 2.189 40 0 EEABRN C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000019169782 212003227 /nfs/dbraw/zinc/00/32/27/212003227.db2.gz JWCIWARLRKCBTO-ZDUSSCGKSA-N 0 0 332.425 2.144 40 0 EEABRN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019018660 211997765 /nfs/dbraw/zinc/99/77/65/211997765.db2.gz NPOTVSUQDUQEBT-AWEZNQCLSA-N 0 0 344.459 2.133 40 0 EEABRN CC1(C)OC(=O)c2c1ccnc2N[C@@H]1CCCN(c2ncccn2)C1 ZINC000078551196 217073875 /nfs/dbraw/zinc/07/38/75/217073875.db2.gz FZISAJILWMDHAY-GFCCVEGCSA-N 0 0 339.399 2.358 40 0 EEABRN COc1ccc(F)cc1C[S@](=O)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000078556296 217076297 /nfs/dbraw/zinc/07/62/97/217076297.db2.gz BYRDYNVVYHCWEX-DJNLSKAYSA-N 0 0 340.376 2.407 40 0 EEABRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 ZINC000078780268 217119858 /nfs/dbraw/zinc/11/98/58/217119858.db2.gz QRNRRCUTKXJIGQ-LLVKDONJSA-N 0 0 339.351 2.343 40 0 EEABRN O=C(NCc1cccc(COC2CCCCC2)c1)[C@H]1CCC(=O)N1 ZINC000078917940 217147485 /nfs/dbraw/zinc/14/74/85/217147485.db2.gz DXDYCBQKLIKIKA-QGZVFWFLSA-N 0 0 330.428 2.431 40 0 EEABRN C[C@@H]1CCCN1C(=O)CCSc1nnc(-c2ccc(F)cc2)n1N ZINC000078934923 217151489 /nfs/dbraw/zinc/15/14/89/217151489.db2.gz FPHWFNMJFWZZCY-LLVKDONJSA-N 0 0 349.435 2.291 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccccc1Br ZINC000079042303 217180542 /nfs/dbraw/zinc/18/05/42/217180542.db2.gz NASCKOGDZQLJQX-JTQLQIEISA-N 0 0 348.262 2.344 40 0 EEABRN C[C@@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000079330883 217210367 /nfs/dbraw/zinc/21/03/67/217210367.db2.gz VDOQBGTZKZWYOY-SECBINFHSA-N 0 0 342.189 2.081 40 0 EEABRN CN1CCO[C@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000081264737 217375510 /nfs/dbraw/zinc/37/55/10/217375510.db2.gz DFBWSIDCMLPUDZ-IBGZPJMESA-N 0 0 340.423 2.212 40 0 EEABRN CC1(C)CN(C(=O)NCC[S@](=O)c2ccccc2)CCS1 ZINC000083653919 217550411 /nfs/dbraw/zinc/55/04/11/217550411.db2.gz XKEXUYRTOVZQPD-OAQYLSRUSA-N 0 0 326.487 2.331 40 0 EEABRN Cc1cc(CCCC(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)s1 ZINC000084538567 217613159 /nfs/dbraw/zinc/61/31/59/217613159.db2.gz GSWIFTBSIIOBRD-ZDUSSCGKSA-N 0 0 338.473 2.051 40 0 EEABRN CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000013581431 211585033 /nfs/dbraw/zinc/58/50/33/211585033.db2.gz MWTRHPBVCGUQND-UHFFFAOYSA-N 0 0 342.461 2.208 40 0 EEABRN O=C(c1ccc(-n2ccnc2)nc1)N1CCC2(CC1)CC=CCOC2 ZINC000257304419 284640885 /nfs/dbraw/zinc/64/08/85/284640885.db2.gz SLOHFVGLUHFRFE-UHFFFAOYSA-N 0 0 338.411 2.466 40 0 EEABRN O=C(c1cccs1)N1CCC[C@@H]1Cn1nnc(-c2ccncc2)n1 ZINC000012408229 211371493 /nfs/dbraw/zinc/37/14/93/211371493.db2.gz VXVKHKUHPOKAPU-CYBMUJFWSA-N 0 0 340.412 2.101 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012239486 211328576 /nfs/dbraw/zinc/32/85/76/211328576.db2.gz KRQFPQPVJSBEHG-ZWNOBZJWSA-N 0 0 328.372 2.199 40 0 EEABRN O=C(C[C@H]1CSc2nccc(=O)n21)N1CCCc2ccccc21 ZINC000012236226 211327693 /nfs/dbraw/zinc/32/76/93/211327693.db2.gz ZLIPFPRGXRVDOU-ZDUSSCGKSA-N 0 0 327.409 2.260 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@H]1C ZINC000012196183 211317176 /nfs/dbraw/zinc/31/71/76/211317176.db2.gz RZZPZTLJAJJRRI-ABKXIKBNSA-N 0 0 330.363 2.221 40 0 EEABRN Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012185714 211313875 /nfs/dbraw/zinc/31/38/75/211313875.db2.gz LBUSRJNZKUGDPB-UHFFFAOYSA-N 0 0 343.408 2.206 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@H](C)C3)n2)s1 ZINC000012181745 211311619 /nfs/dbraw/zinc/31/16/19/211311619.db2.gz BQYYLNOHALDMSX-NSHDSACASA-N 0 0 346.456 2.121 40 0 EEABRN COc1cccc(C(=O)N2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000012228343 211324934 /nfs/dbraw/zinc/32/49/34/211324934.db2.gz PMOPIDCCLVHZRJ-UHFFFAOYSA-N 0 0 337.383 2.381 40 0 EEABRN CCCNC(=O)Cn1ncc2c3sc(C)cc3n(CC)c2c1=O ZINC000012142708 211305036 /nfs/dbraw/zinc/30/50/36/211305036.db2.gz VOPUVSFOQCRIQV-UHFFFAOYSA-N 0 0 332.429 2.267 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 ZINC000012118784 211298460 /nfs/dbraw/zinc/29/84/60/211298460.db2.gz BPJAPFJDZHYLSN-TZMCWYRMSA-N 0 0 330.388 2.258 40 0 EEABRN CCn1ncc(C(=O)NCCc2nc(-c3ccc(C)cc3)n[nH]2)c1C ZINC000012115844 211296443 /nfs/dbraw/zinc/29/64/43/211296443.db2.gz UHGKZUDGOQEOON-UHFFFAOYSA-N 0 0 338.415 2.277 40 0 EEABRN COc1c(C(=O)NC[C@H](C)n2cncn2)cnc2cc(Cl)ccc21 ZINC000012116900 211295686 /nfs/dbraw/zinc/29/56/86/211295686.db2.gz VUBIEZWUKFKHGA-JTQLQIEISA-N 0 0 345.790 2.479 40 0 EEABRN CO[C@H](C(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000012114747 211294860 /nfs/dbraw/zinc/29/48/60/211294860.db2.gz MJNHEYYQWGVSPK-WFASDCNBSA-N 0 0 337.383 2.432 40 0 EEABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1cccc(F)c1 ZINC000012114430 211293520 /nfs/dbraw/zinc/29/35/20/211293520.db2.gz VBUQWUSHPFEUPS-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114218 211293021 /nfs/dbraw/zinc/29/30/21/211293021.db2.gz DSJILTGRACQXHB-NSHDSACASA-N 0 0 344.440 2.278 40 0 EEABRN Cn1nccc1CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000091601662 218030519 /nfs/dbraw/zinc/03/05/19/218030519.db2.gz MYEGRQUEONXCCG-HUUCEWRRSA-N 0 0 334.807 2.403 40 0 EEABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1Cn1c(=O)c3ccccc3nc1C2 ZINC000019375956 284728034 /nfs/dbraw/zinc/72/80/34/284728034.db2.gz CRQLQFMOVAJFPC-CABCVRRESA-N 0 0 346.390 2.021 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000010449162 211174283 /nfs/dbraw/zinc/17/42/83/211174283.db2.gz ZDYCGBCJGRBAKP-UHFFFAOYSA-N 0 0 348.399 2.181 40 0 EEABRN COCCn1c(=O)[nH]c(=O)c2c(-c3ccccc3Cl)ccnc21 ZINC000010339042 211165146 /nfs/dbraw/zinc/16/51/46/211165146.db2.gz VISVGTWYFUAZLY-UHFFFAOYSA-N 0 0 331.759 2.052 40 0 EEABRN CCNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010330765 211164187 /nfs/dbraw/zinc/16/41/87/211164187.db2.gz GJXWNTBVWJMZQM-UHFFFAOYSA-N 0 0 348.852 2.031 40 0 EEABRN O=C(NCc1nnc2n1CCC2)N[C@H](c1ccccn1)C1CCCC1 ZINC000095403622 218338730 /nfs/dbraw/zinc/33/87/30/218338730.db2.gz LZJITVGMGXDLQZ-KRWDZBQOSA-N 0 0 340.431 2.350 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000095412194 218350030 /nfs/dbraw/zinc/35/00/30/218350030.db2.gz QSPMXQZMABIJGP-UHFFFAOYSA-N 0 0 327.344 2.104 40 0 EEABRN COC(=O)c1ccc(Cn2cc(Br)c(OC)cc2=O)o1 ZINC000095451624 218395681 /nfs/dbraw/zinc/39/56/81/218395681.db2.gz WPTALPZIMUNATA-UHFFFAOYSA-N 0 0 342.145 2.047 40 0 EEABRN COC(=O)CNC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000095453950 218397506 /nfs/dbraw/zinc/39/75/06/218397506.db2.gz WNZZZWKOSSFACH-UHFFFAOYSA-N 0 0 326.146 2.407 40 0 EEABRN O=C(c1ccnnc1)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041618 218524690 /nfs/dbraw/zinc/52/46/90/218524690.db2.gz LVQCIROALIEKKR-GVDBMIGSSA-N 0 0 331.416 2.055 40 0 EEABRN Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3c2ccncn2)n1 ZINC000096041776 218525674 /nfs/dbraw/zinc/52/56/74/218525674.db2.gz BORUAMOJLDRJIJ-LZLYRXPVSA-N 0 0 326.400 2.133 40 0 EEABRN Cn1cccc1C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042468 218526771 /nfs/dbraw/zinc/52/67/71/218526771.db2.gz KEOFMEGFMWGHFH-NXHRZFHOSA-N 0 0 341.411 2.009 40 0 EEABRN CO[C@@]1(CNC(=O)C2(c3ccccc3)CCOCC2)CCSC1 ZINC000096097620 218590946 /nfs/dbraw/zinc/59/09/46/218590946.db2.gz XAGJPQZZDBNGTL-QGZVFWFLSA-N 0 0 335.469 2.373 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107537 218600180 /nfs/dbraw/zinc/60/01/80/218600180.db2.gz YFGQELUCNYCGRG-KSSFIOAISA-N 0 0 343.383 2.221 40 0 EEABRN Cc1c(CNC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)cnn1C ZINC000096192653 218661942 /nfs/dbraw/zinc/66/19/42/218661942.db2.gz IAUJEASMCKQEBS-KRWDZBQOSA-N 0 0 330.363 2.067 40 0 EEABRN CO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cccnc1 ZINC000096200483 218671901 /nfs/dbraw/zinc/67/19/01/218671901.db2.gz DYLNNHLGSRDEEC-KBPBESRZSA-N 0 0 338.454 2.164 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)N3CCCC3)C2)c1 ZINC000096227093 218704689 /nfs/dbraw/zinc/70/46/89/218704689.db2.gz YIYRZISXKMQBAP-FXAWDEMLSA-N 0 0 341.455 2.227 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C2)COCCN(c2nccs2)C3)nc1 ZINC000096229225 218706198 /nfs/dbraw/zinc/70/61/98/218706198.db2.gz SYIWBSJBZWPVPM-MRXNPFEDSA-N 0 0 349.435 2.196 40 0 EEABRN Cn1cc([C@H]2NC(=O)CN2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000096405736 218756416 /nfs/dbraw/zinc/75/64/16/218756416.db2.gz NTTLXNHHPQLJSC-IBGZPJMESA-N 0 0 333.395 2.113 40 0 EEABRN Cn1ncnc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000096423965 218791478 /nfs/dbraw/zinc/79/14/78/218791478.db2.gz WQGPZSHESNRCMA-UHFFFAOYSA-N 0 0 341.375 2.375 40 0 EEABRN CC(=O)NC1CCN(c2nc(-c3cccnc3)nc(C)c2C)CC1 ZINC000096429310 218802738 /nfs/dbraw/zinc/80/27/38/218802738.db2.gz GFOSAPFAHAFFQE-UHFFFAOYSA-N 0 0 325.416 2.260 40 0 EEABRN COc1ccc([C@H](O)[C@@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519800 218881602 /nfs/dbraw/zinc/88/16/02/218881602.db2.gz KHMHTNNZADKFIU-UWVGGRQHSA-N 0 0 343.626 2.061 40 0 EEABRN Cc1ccc(F)c(N2CCC[C@H](NC(=O)N[C@@H](C)c3nc[nH]n3)C2)c1 ZINC000096499777 218874715 /nfs/dbraw/zinc/87/47/15/218874715.db2.gz ZUBMMXVASDIACU-STQMWFEESA-N 0 0 346.410 2.281 40 0 EEABRN O=C(NCC1CCS(=O)(=O)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000153507399 224115290 /nfs/dbraw/zinc/11/52/90/224115290.db2.gz RMLNQCJONBWWLG-MRXNPFEDSA-N 0 0 336.457 2.010 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NC[C@H]1CCCO1 ZINC000409209770 257874290 /nfs/dbraw/zinc/87/42/90/257874290.db2.gz HXUXCABXKGARMG-CKXDQPNJSA-N 0 0 346.408 2.018 40 0 EEABRN O=C(C1=CCCC1)N1CC2(C1)C[C@H](OCc1ccccn1)CCO2 ZINC000306130260 257920309 /nfs/dbraw/zinc/92/03/09/257920309.db2.gz JAIJWWLQDDIMRS-QGZVFWFLSA-N 0 0 328.412 2.469 40 0 EEABRN Cc1cccc(N2CCN(CC(=O)NCCCOC(C)C)CC2)c1 ZINC000040017924 132397936 /nfs/dbraw/zinc/39/79/36/132397936.db2.gz RNJOYUSDCXYTHC-UHFFFAOYSA-N 0 0 333.476 2.048 40 0 EEABRN O=C(NCCc1cccnc1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000078292050 132816760 /nfs/dbraw/zinc/81/67/60/132816760.db2.gz GJHOXIZCVPUXHS-UHFFFAOYSA-N 0 0 346.381 2.434 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@@H]3C)OCC(=O)N2C)cc1 ZINC000096181499 292236105 /nfs/dbraw/zinc/23/61/05/292236105.db2.gz FJYYRUSYHUZOHJ-QGTPRVQTSA-N 0 0 330.428 2.294 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529719 304446488 /nfs/dbraw/zinc/44/64/88/304446488.db2.gz PKGBHSLMBYWVDS-LPHOPBHVSA-N 0 0 334.460 2.054 40 0 EEABRN CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3c(C)noc3C)[C@H]2C1 ZINC000096156985 275777252 /nfs/dbraw/zinc/77/72/52/275777252.db2.gz IOAKMPAWFUUHLD-BQFCYCMXSA-N 0 0 339.395 2.338 40 0 EEABRN COCCN1c2ccccc2C2(CCN(C(=O)NC(C)C)CC2)C1=O ZINC000096241390 277228478 /nfs/dbraw/zinc/22/84/78/277228478.db2.gz OFRWSPMMSYJIRB-UHFFFAOYSA-N 0 0 345.443 2.131 40 0 EEABRN COc1ncccc1CN1CC2(C1)C[C@@H](Oc1cccnc1)CCO2 ZINC000247827272 278094546 /nfs/dbraw/zinc/09/45/46/278094546.db2.gz GFQGRKAWOGUBRX-INIZCTEOSA-N 0 0 341.411 2.298 40 0 EEABRN O=C(c1ccc[nH]1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238810 280205844 /nfs/dbraw/zinc/20/58/44/280205844.db2.gz PBERZODPOUNEPF-GOSISDBHSA-N 0 0 327.359 2.423 40 0 EEABRN CN(C)C(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC000096040143 281956253 /nfs/dbraw/zinc/95/62/53/281956253.db2.gz LXFSTGCCVDJKHY-WMZOPIPTSA-N 0 0 333.432 2.151 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccn2C)cn1 ZINC000195327918 295188527 /nfs/dbraw/zinc/18/85/27/295188527.db2.gz ZPDGPXDQPSJLKE-OAHLLOKOSA-N 0 0 335.429 2.345 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000257301580 301024725 /nfs/dbraw/zinc/02/47/25/301024725.db2.gz RZAREZBFYMATIB-ZDUSSCGKSA-N 0 0 341.820 2.134 40 0 EEABRN COc1cc(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)ccn1 ZINC000328868998 311627861 /nfs/dbraw/zinc/62/78/61/311627861.db2.gz CQAOTJQYUHATKM-QGZVFWFLSA-N 0 0 333.388 2.063 40 0 EEABRN CCn1cncc1S(=O)(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000333429596 312145932 /nfs/dbraw/zinc/14/59/32/312145932.db2.gz JTZYXGSFELSWEC-UHFFFAOYSA-N 0 0 348.472 2.477 40 0 EEABRN CCNC(=O)C1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000097097335 323320647 /nfs/dbraw/zinc/32/06/47/323320647.db2.gz WKJXUKPUTVKLMN-UHFFFAOYSA-N 0 0 347.415 2.086 40 0 EEABRN CCCCn1ncc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c1C ZINC000097103422 323321195 /nfs/dbraw/zinc/32/11/95/323321195.db2.gz VNNJHSKPJKQGQF-UHFFFAOYSA-N 0 0 347.463 2.468 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000097234260 323321539 /nfs/dbraw/zinc/32/15/39/323321539.db2.gz XSZDUEHUXBNKBS-NUTKFTJISA-N 0 0 336.480 2.160 40 0 EEABRN C[C@@H](NC(=O)NC1Cc2ccccc2C1)c1nnnn1-c1ccccc1 ZINC000097377430 323322103 /nfs/dbraw/zinc/32/21/03/323322103.db2.gz XHDRNKIFJBPVCY-CYBMUJFWSA-N 0 0 348.410 2.190 40 0 EEABRN COC(=O)[C@@H](NCc1nnc(C)n1C)c1ccc(Cl)cc1Cl ZINC000097372215 323322407 /nfs/dbraw/zinc/32/24/07/323322407.db2.gz XBBIPKLHWCZXGZ-ZDUSSCGKSA-N 0 0 343.214 2.434 40 0 EEABRN O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000097378906 323323051 /nfs/dbraw/zinc/32/30/51/323323051.db2.gz JCBSDIOGNQEXTQ-ZFWWWQNUSA-N 0 0 327.388 2.346 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000097379460 323323073 /nfs/dbraw/zinc/32/30/73/323323073.db2.gz YLMYWZFWBUCQEY-SFHVURJKSA-N 0 0 336.395 2.425 40 0 EEABRN C[C@H]1CN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@@H](C)CO1 ZINC000186774832 323446838 /nfs/dbraw/zinc/44/68/38/323446838.db2.gz BZKXFBZRYCJNLY-RYUDHWBXSA-N 0 0 337.386 2.080 40 0 EEABRN Cc1cc(NC(=O)C(=O)N2CC=C(c3ccccc3F)CC2)n(C)n1 ZINC000184788850 465026149 /nfs/dbraw/zinc/02/61/49/465026149.db2.gz DNUSFKOTWRCCDR-UHFFFAOYSA-N 0 0 342.374 2.122 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)cc1C ZINC000000260701 462550763 /nfs/dbraw/zinc/55/07/63/462550763.db2.gz ZRTTTZSYDGNYMN-JKSUJKDBSA-N 0 0 334.416 2.470 40 0 EEABRN CN1C(=O)N(CC(=O)OC[C@H]2CC=CCC2)C(=O)C12CCCCC2 ZINC000060636543 462562523 /nfs/dbraw/zinc/56/25/23/462562523.db2.gz SZEBTPNLDVYDKX-AWEZNQCLSA-N 0 0 334.416 2.483 40 0 EEABRN CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000810162 462573154 /nfs/dbraw/zinc/57/31/54/462573154.db2.gz NKDBUUVZVPDJTQ-AWEZNQCLSA-N 0 0 338.473 2.392 40 0 EEABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000000903294 462574554 /nfs/dbraw/zinc/57/45/54/462574554.db2.gz QZDYQWRKERTMCC-UHFFFAOYSA-N 0 0 340.358 2.103 40 0 EEABRN CC[C@@H](C)C(=O)Nn1c(=O)c2cc(OC)c(OC)cc2nc1C1CC1 ZINC000001365138 462580397 /nfs/dbraw/zinc/58/03/97/462580397.db2.gz WPJZGWFFBYAEKU-SNVBAGLBSA-N 0 0 345.399 2.407 40 0 EEABRN CCOC(=O)c1c(C)csc1NC(=O)CSCC(=O)OC ZINC000001590777 462584239 /nfs/dbraw/zinc/58/42/39/462584239.db2.gz FRLYTEHEEMWTNG-UHFFFAOYSA-N 0 0 331.415 2.078 40 0 EEABRN Cc1nc2ccc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2s1 ZINC000127822705 462585993 /nfs/dbraw/zinc/58/59/93/462585993.db2.gz MIGBBWIYEHBORA-AWEZNQCLSA-N 0 0 339.442 2.303 40 0 EEABRN CCOC(=O)C1=NN(c2ccccc2)C(=O)N(C)[P@@]1(=O)OC ZINC000003173516 462611355 /nfs/dbraw/zinc/61/13/55/462611355.db2.gz KACUFCRYFFEQRC-QFIPXVFZSA-N 0 0 325.261 2.275 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3)C2=O)o1 ZINC000006169716 462678027 /nfs/dbraw/zinc/67/80/27/462678027.db2.gz GLYVIWKUZYMLGJ-LCYFTJDESA-N 0 0 326.308 2.159 40 0 EEABRN Cc1ccc(-n2ncc3c2[nH]c(=O)n(-c2cccc(C)c2)c3=O)cc1 ZINC000006488025 462686782 /nfs/dbraw/zinc/68/67/82/462686782.db2.gz BKTBRKSQDGSBFW-UHFFFAOYSA-N 0 0 332.363 2.482 40 0 EEABRN O=C(Nc1cccc(Br)c1)[C@H]1CSCCC(=O)N1 ZINC000075171201 462690713 /nfs/dbraw/zinc/69/07/13/462690713.db2.gz VMAJERDVFCRXCW-SNVBAGLBSA-N 0 0 329.219 2.009 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166323 462691120 /nfs/dbraw/zinc/69/11/20/462691120.db2.gz OVDHBSNVULTPIC-YVEFUNNKSA-N 0 0 340.383 2.244 40 0 EEABRN COc1ccc(N2C[C@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 ZINC000007928971 462758273 /nfs/dbraw/zinc/75/82/73/462758273.db2.gz JARRNVQSXYBHHA-CQSZACIVSA-N 0 0 339.347 2.466 40 0 EEABRN Cc1cccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)c1 ZINC000007939721 462758645 /nfs/dbraw/zinc/75/86/45/462758645.db2.gz LPBVQTNGWPBIOG-UHFFFAOYSA-N 0 0 344.367 2.166 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000076378000 462850798 /nfs/dbraw/zinc/85/07/98/462850798.db2.gz IQXZBFVKSAUXCJ-NXEZZACHSA-N 0 0 335.347 2.190 40 0 EEABRN CC(=O)N[C@@H](C(=O)NCc1ccccc1-n1ccnc1)C1CCCC1 ZINC000091211738 462854657 /nfs/dbraw/zinc/85/46/57/462854657.db2.gz TYUXXZIMYPNOMB-GOSISDBHSA-N 0 0 340.427 2.183 40 0 EEABRN O=C1CN(c2ncc(-c3ccsc3)c(-c3cccnc3)n2)CCN1 ZINC000013266247 462888945 /nfs/dbraw/zinc/88/89/45/462888945.db2.gz MMHAZNSQJDTCIR-UHFFFAOYSA-N 0 0 337.408 2.203 40 0 EEABRN Cn1cc(-c2cc(C(=O)N3CCc4ncc(Cl)cc4C3)no2)cn1 ZINC000013265505 462889147 /nfs/dbraw/zinc/88/91/47/462889147.db2.gz XZPOUOGKQYIKDG-UHFFFAOYSA-N 0 0 343.774 2.322 40 0 EEABRN Cc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c(C)c1 ZINC000013669314 462897873 /nfs/dbraw/zinc/89/78/73/462897873.db2.gz RYCRXWUNLSJPJT-CQSZACIVSA-N 0 0 338.473 2.328 40 0 EEABRN CCCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000014153573 462914586 /nfs/dbraw/zinc/91/45/86/462914586.db2.gz RCMPSEYXVGDUEH-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN CCc1ncc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cn1 ZINC000155888308 462956478 /nfs/dbraw/zinc/95/64/78/462956478.db2.gz YPMCKHVEASVYQD-SFHVURJKSA-N 0 0 340.427 2.176 40 0 EEABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016322306 462973896 /nfs/dbraw/zinc/97/38/96/462973896.db2.gz UPTQQCIVJPLIEZ-GFCCVEGCSA-N 0 0 334.397 2.001 40 0 EEABRN COc1ccc(OC)c(NC(=S)NCCCN2CCCC2=O)c1 ZINC000017070921 462994779 /nfs/dbraw/zinc/99/47/79/462994779.db2.gz RYOTWEXPVYMOTN-UHFFFAOYSA-N 0 0 337.445 2.003 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000017323316 462999143 /nfs/dbraw/zinc/99/91/43/462999143.db2.gz JNFYUOUSVNOLCM-CQSZACIVSA-N 0 0 346.452 2.405 40 0 EEABRN CCc1ccccc1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000077582477 463008573 /nfs/dbraw/zinc/00/85/73/463008573.db2.gz DPYSWXZIDSUXCV-ZDUSSCGKSA-N 0 0 343.349 2.211 40 0 EEABRN O=C(CN1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000019374390 463018209 /nfs/dbraw/zinc/01/82/09/463018209.db2.gz JQPOZDKUWZLNOL-UXLLHSPISA-N 0 0 338.411 2.494 40 0 EEABRN CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(C)=O)CC1 ZINC000019747046 463021395 /nfs/dbraw/zinc/02/13/95/463021395.db2.gz KRLJNHVFKWQMDJ-INIZCTEOSA-N 0 0 332.448 2.156 40 0 EEABRN COc1ccc(OC)c(CNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000024452286 463086171 /nfs/dbraw/zinc/08/61/71/463086171.db2.gz GCYRCMVEUQWCHW-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000157064277 463094325 /nfs/dbraw/zinc/09/43/25/463094325.db2.gz ZOBLQDZYVOMXPB-OLZOCXBDSA-N 0 0 330.388 2.102 40 0 EEABRN Cc1cc(Br)cc(C(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000134935109 463099057 /nfs/dbraw/zinc/09/90/57/463099057.db2.gz YFHSSMOXSSHLNJ-OAHLLOKOSA-N 0 0 342.233 2.276 40 0 EEABRN Cn1cccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)c1=O ZINC000096024763 463141630 /nfs/dbraw/zinc/14/16/30/463141630.db2.gz GVMZJERZZCVASS-UHFFFAOYSA-N 0 0 347.802 2.117 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096039075 463143857 /nfs/dbraw/zinc/14/38/57/463143857.db2.gz LGQUXVRJABOZSP-PKOBYXMFSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1nc(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cs1 ZINC000096040647 463145309 /nfs/dbraw/zinc/14/53/09/463145309.db2.gz TWIDKPQXBRRXFN-LESCRADOSA-N 0 0 349.500 2.347 40 0 EEABRN O=C(c1cscn1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042244 463147510 /nfs/dbraw/zinc/14/75/10/463147510.db2.gz PZQGQTYYHGPXDU-HRCADAONSA-N 0 0 345.424 2.127 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ncn(C)c2[C@H](COCC(C)C)C1 ZINC000096044852 463148972 /nfs/dbraw/zinc/14/89/72/463148972.db2.gz KXPAOMQFNMKVHU-AWEZNQCLSA-N 0 0 346.431 2.437 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048371 463151947 /nfs/dbraw/zinc/15/19/47/463151947.db2.gz HVKVKPNGPNFNIY-RDTXWAMCSA-N 0 0 342.399 2.254 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096057042 463158735 /nfs/dbraw/zinc/15/87/35/463158735.db2.gz YMFXDJIEDBDFSV-HKUYNNGSSA-N 0 0 337.460 2.237 40 0 EEABRN O=C(c1cccnc1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC000096058107 463159612 /nfs/dbraw/zinc/15/96/12/463159612.db2.gz HEQAFLQYRHZJPH-KSZLIROESA-N 0 0 339.395 2.065 40 0 EEABRN Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@@H]2C)n1 ZINC000096062062 463161548 /nfs/dbraw/zinc/16/15/48/463161548.db2.gz JPEYQXLATOAPEV-AWEZNQCLSA-N 0 0 336.399 2.048 40 0 EEABRN O=C([C@@H]1CCC2(CCN(C(=O)c3ccco3)CC2)O1)N1CCCC1 ZINC000096061247 463161611 /nfs/dbraw/zinc/16/16/11/463161611.db2.gz FDVYHTHDYJCSGD-HNNXBMFYSA-N 0 0 332.400 2.056 40 0 EEABRN O=C(c1ccno1)N1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC000096064640 463163704 /nfs/dbraw/zinc/16/37/04/463163704.db2.gz PVISQDOQYCCQEF-PMPSAXMXSA-N 0 0 343.383 2.049 40 0 EEABRN Cc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)nn1 ZINC000096069966 463165857 /nfs/dbraw/zinc/16/58/57/463165857.db2.gz HNQVMJIOWWINIC-IRXDYDNUSA-N 0 0 327.432 2.135 40 0 EEABRN Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)c1 ZINC000096072585 463166692 /nfs/dbraw/zinc/16/66/92/463166692.db2.gz FOIMUPTXZUGUEJ-YJBOKZPZSA-N 0 0 326.400 2.204 40 0 EEABRN Cc1occc1C(=O)N1CCn2cc(CN3CCCCC3)nc2C1 ZINC000096086867 463170896 /nfs/dbraw/zinc/17/08/96/463170896.db2.gz OCEHLYOGMJRRTL-UHFFFAOYSA-N 0 0 328.416 2.426 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CO[C@@H](COCC3CC3)C2)CC1 ZINC000096106035 463173844 /nfs/dbraw/zinc/17/38/44/463173844.db2.gz WTJQRMWFCZWCIZ-QGZVFWFLSA-N 0 0 337.460 2.237 40 0 EEABRN CCOC[C@H]1COCCC12CCN(C(=O)c1cccnc1OC)CC2 ZINC000096106447 463174121 /nfs/dbraw/zinc/17/41/21/463174121.db2.gz RABMBCGIFHVKEP-HNNXBMFYSA-N 0 0 348.443 2.386 40 0 EEABRN O=C(COCc1nc(-c2ccncc2)no1)NCCc1ccccc1 ZINC000096182056 463194294 /nfs/dbraw/zinc/19/42/94/463194294.db2.gz SERGXBDLNVNGGZ-UHFFFAOYSA-N 0 0 338.367 2.007 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000096181818 463194532 /nfs/dbraw/zinc/19/45/32/463194532.db2.gz AJQZJXVNDWMGIJ-MSOLQXFVSA-N 0 0 342.370 2.040 40 0 EEABRN O=C(NCCN1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000096435605 463263542 /nfs/dbraw/zinc/26/35/42/463263542.db2.gz UQWKPNVDPQLKBR-UHFFFAOYSA-N 0 0 346.200 2.042 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)N3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC000096192816 463201132 /nfs/dbraw/zinc/20/11/32/463201132.db2.gz IIWDXNOPUXDFJS-VFVRVIDISA-N 0 0 332.400 2.214 40 0 EEABRN O=C(c1ccco1)N1CCc2ncc(CNc3ccccn3)n2CC1 ZINC000096197115 463203158 /nfs/dbraw/zinc/20/31/58/463203158.db2.gz SODLHDMFAAPYBM-UHFFFAOYSA-N 0 0 337.383 2.182 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096198066 463203264 /nfs/dbraw/zinc/20/32/64/463203264.db2.gz GEZFBAFEYGMMPZ-CQSZACIVSA-N 0 0 343.383 2.018 40 0 EEABRN CC(C)NC(=O)N1CCN(Cc2ccncc2)c2ncccc2C1 ZINC000096198985 463204734 /nfs/dbraw/zinc/20/47/34/463204734.db2.gz VPUWDHBJFRMCHM-UHFFFAOYSA-N 0 0 325.416 2.417 40 0 EEABRN COc1ccc(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)cc1 ZINC000096202737 463208564 /nfs/dbraw/zinc/20/85/64/463208564.db2.gz MVAKCRRKEWILMQ-UHFFFAOYSA-N 0 0 337.423 2.438 40 0 EEABRN COCc1cnc2n1CCN(C(=O)CCOc1ccccc1)[C@@H]2C ZINC000096205849 463208591 /nfs/dbraw/zinc/20/85/91/463208591.db2.gz BLGCICQSNOFROO-CQSZACIVSA-N 0 0 329.400 2.402 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C)o2)C1 ZINC000096208456 463212239 /nfs/dbraw/zinc/21/22/39/463212239.db2.gz YHWXWCAYZPIOBN-MCIONIFRSA-N 0 0 347.440 2.468 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096221896 463218117 /nfs/dbraw/zinc/21/81/17/463218117.db2.gz ZAUIKHRGEFRQOO-WBVHZDCISA-N 0 0 331.412 2.252 40 0 EEABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000028207202 463219174 /nfs/dbraw/zinc/21/91/74/463219174.db2.gz CPXFKBPUWLJHSL-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN Cc1ccccc1N1C[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O ZINC000096238653 463223178 /nfs/dbraw/zinc/22/31/78/463223178.db2.gz FJIRYESSGVAOSN-APWZRJJASA-N 0 0 328.412 2.129 40 0 EEABRN CCN1c2ccc(NCc3cnn(C)c3)cc2C2(CCOCC2)C1=O ZINC000096244766 463225740 /nfs/dbraw/zinc/22/57/40/463225740.db2.gz RMBOLKAFHYQPPV-UHFFFAOYSA-N 0 0 340.427 2.447 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccccc3F)[C@@H]2C1 ZINC000096244856 463225938 /nfs/dbraw/zinc/22/59/38/463225938.db2.gz UZFSBBNRIKENLA-CRAIPNDOSA-N 0 0 346.427 2.331 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1 ZINC000096260871 463231293 /nfs/dbraw/zinc/23/12/93/463231293.db2.gz QNHZKNNIKKZUAG-HNNXBMFYSA-N 0 0 331.416 2.320 40 0 EEABRN CC(C)n1c(C(=O)N2CCCC2)nc2c1CCN(c1ncccn1)C2 ZINC000096264911 463231691 /nfs/dbraw/zinc/23/16/91/463231691.db2.gz DDDZRODCNZLUPK-UHFFFAOYSA-N 0 0 340.431 2.053 40 0 EEABRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000096406216 463239427 /nfs/dbraw/zinc/23/94/27/463239427.db2.gz LWMJRZKQJCEIPI-UONOGXRCSA-N 0 0 342.461 2.360 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC000096409353 463242766 /nfs/dbraw/zinc/24/27/66/463242766.db2.gz JRVGKMNWKLFHBK-MRXNPFEDSA-N 0 0 343.402 2.232 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000096418781 463250107 /nfs/dbraw/zinc/25/01/07/463250107.db2.gz PXPXXOZQKAPTJX-RHSMWYFYSA-N 0 0 332.444 2.300 40 0 EEABRN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC1CCSCC1 ZINC000096418471 463250229 /nfs/dbraw/zinc/25/02/29/463250229.db2.gz YTMVJBVSBDBWSX-QGZVFWFLSA-N 0 0 334.485 2.289 40 0 EEABRN C[C@H](CO)NC(=O)c1ccc(NCc2noc(C(C)(C)C)n2)cc1 ZINC000096427519 463257365 /nfs/dbraw/zinc/25/73/65/463257365.db2.gz HUYSOXFRJUFTOE-LLVKDONJSA-N 0 0 332.404 2.090 40 0 EEABRN CNC(=O)[C@H]1CCCN(c2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000096429462 463259050 /nfs/dbraw/zinc/25/90/50/463259050.db2.gz XTGTUVUINNLJOT-HNNXBMFYSA-N 0 0 325.416 2.118 40 0 EEABRN Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1cn3c(n1)CCCC3)C2 ZINC000096430577 463260353 /nfs/dbraw/zinc/26/03/53/463260353.db2.gz XLJDBJROFNFLRD-SFHVURJKSA-N 0 0 339.439 2.499 40 0 EEABRN O=C(NCc1ccco1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000096431274 463260431 /nfs/dbraw/zinc/26/04/31/463260431.db2.gz UMEJYGDVVUJYGV-UHFFFAOYSA-N 0 0 343.412 2.316 40 0 EEABRN C[C@H](C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000096432205 463261233 /nfs/dbraw/zinc/26/12/33/463261233.db2.gz HBBIAQINGHQHIL-QWRGUYRKSA-N 0 0 339.442 2.046 40 0 EEABRN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000096435042 463262445 /nfs/dbraw/zinc/26/24/45/463262445.db2.gz IRFJPDGGVJQLJL-CQSZACIVSA-N 0 0 338.839 2.491 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000096439914 463265588 /nfs/dbraw/zinc/26/55/88/463265588.db2.gz VJEZYVBASLBROR-GXFFZTMASA-N 0 0 332.853 2.091 40 0 EEABRN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000096450367 463272335 /nfs/dbraw/zinc/27/23/35/463272335.db2.gz RIZKCYLQTMJZPA-SJCJKPOMSA-N 0 0 338.473 2.157 40 0 EEABRN C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N1CCSCC1 ZINC000096454313 463274184 /nfs/dbraw/zinc/27/41/84/463274184.db2.gz CYBUTCQCNLMSMX-YLSINNKHSA-N 0 0 336.432 2.309 40 0 EEABRN NC(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000096460479 463276586 /nfs/dbraw/zinc/27/65/86/463276586.db2.gz XPGJVTHDCOWNEB-SFHVURJKSA-N 0 0 338.407 2.259 40 0 EEABRN O=C(C[C@@H]1COCCN1C(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC000096466927 463277785 /nfs/dbraw/zinc/27/77/85/463277785.db2.gz WSECAEHUTANLJE-OAHLLOKOSA-N 0 0 339.395 2.401 40 0 EEABRN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000096468846 463277984 /nfs/dbraw/zinc/27/79/84/463277984.db2.gz VCOWYBYMEROAQN-IMJJTQAJSA-N 0 0 345.374 2.436 40 0 EEABRN CC[C@H](CNC(=O)[C@@H]1COCCN1C(C)=O)c1ccc(Cl)cc1 ZINC000096486978 463284899 /nfs/dbraw/zinc/28/48/99/463284899.db2.gz KFRGAWHYUBRMAF-CJNGLKHVSA-N 0 0 338.835 2.197 40 0 EEABRN COc1cccc([C@@H](O)C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000096486933 463285019 /nfs/dbraw/zinc/28/50/19/463285019.db2.gz LHSSFFASWHOGDU-QGZVFWFLSA-N 0 0 346.452 2.135 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H]1CCCOC1 ZINC000096496079 463288770 /nfs/dbraw/zinc/28/87/70/463288770.db2.gz KOMKIDIZLLXZPT-CABZTGNLSA-N 0 0 333.354 2.461 40 0 EEABRN CN(C(=O)Cn1ccnc1-c1cncc(Br)c1)C1CC1 ZINC000096501943 463291975 /nfs/dbraw/zinc/29/19/75/463291975.db2.gz OUCOAIIETBKSGQ-UHFFFAOYSA-N 0 0 335.205 2.328 40 0 EEABRN CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000096702663 463296108 /nfs/dbraw/zinc/29/61/08/463296108.db2.gz IYSKBDWHJZRADN-UHFFFAOYSA-N 0 0 341.433 2.011 40 0 EEABRN CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C(=O)OC)C=C1C ZINC000030882404 463315988 /nfs/dbraw/zinc/31/59/88/463315988.db2.gz XQJHTVMHMKDVGH-KKUMJFAQSA-N 0 0 339.432 2.083 40 0 biogenic,in-vitro EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000097095077 463321579 /nfs/dbraw/zinc/32/15/79/463321579.db2.gz HIHVRZFOUPSOHE-RDJZCZTQSA-N 0 0 334.460 2.437 40 0 EEABRN COCCN1CCN(Cc2cnc(-c3ccc(C)o3)s2)CC1=O ZINC000097235545 463353003 /nfs/dbraw/zinc/35/30/03/463353003.db2.gz RXNPQUJXPOKAEI-UHFFFAOYSA-N 0 0 335.429 2.002 40 0 EEABRN O=C(NCc1cccc(-c2nc[nH]n2)c1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000097378842 463358478 /nfs/dbraw/zinc/35/84/78/463358478.db2.gz LLDCZUJFXMBWTB-HOTGVXAUSA-N 0 0 341.415 2.229 40 0 EEABRN Cn1nccc1CCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000097378485 463358482 /nfs/dbraw/zinc/35/84/82/463358482.db2.gz ROKGDCHFSIJELB-NVXWUHKLSA-N 0 0 328.416 2.182 40 0 EEABRN CCC[C@H](C)OC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 ZINC000031924573 463359368 /nfs/dbraw/zinc/35/93/68/463359368.db2.gz RKNXEOGZGUELAW-AWEZNQCLSA-N 0 0 334.416 2.303 40 0 EEABRN CC(=O)NCCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000070971190 463399045 /nfs/dbraw/zinc/39/90/45/463399045.db2.gz QGJPEIXREHSRRF-UHFFFAOYSA-N 0 0 340.305 2.356 40 0 EEABRN CCCOc1c(Br)cc(C(=O)NCCO)cc1OCC ZINC000033597677 463422748 /nfs/dbraw/zinc/42/27/48/463422748.db2.gz BPRSXKDGEMPVAS-UHFFFAOYSA-N 0 0 346.221 2.359 40 0 EEABRN O=C(Nc1ccc2nccnc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000033759734 463423478 /nfs/dbraw/zinc/42/34/78/463423478.db2.gz HHKLPWVNKKVEDP-UHFFFAOYSA-N 0 0 344.330 2.312 40 0 EEABRN COC(=O)C1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000041103594 463467139 /nfs/dbraw/zinc/46/71/39/463467139.db2.gz FZNHQZDCZXPODH-UHFFFAOYSA-N 0 0 345.317 2.496 40 0 EEABRN Cc1nc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)no1 ZINC000071911548 463470207 /nfs/dbraw/zinc/47/02/07/463470207.db2.gz FVTSSBUUEJDMNG-UHFFFAOYSA-N 0 0 339.270 2.423 40 0 EEABRN CCn1nc(C)c2c1cnn2CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000057279097 463474159 /nfs/dbraw/zinc/47/41/59/463474159.db2.gz GXGZRTQLTSCFAI-CVEARBPZSA-N 0 0 337.427 2.481 40 0 EEABRN COc1ccc([C@H]2[C@@H](N)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000072228197 463484571 /nfs/dbraw/zinc/48/45/71/463484571.db2.gz BRDHYEAURDXBIC-SJORKVTESA-N 0 0 330.359 2.254 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)Cc3ccccc32)c(C)o1 ZINC000081749606 463487275 /nfs/dbraw/zinc/48/72/75/463487275.db2.gz VXRTYHFVLSXLDB-NSHDSACASA-N 0 0 348.424 2.335 40 0 EEABRN CCCN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000057475702 463494088 /nfs/dbraw/zinc/49/40/88/463494088.db2.gz RKFVWMVTHPKAAF-LLVKDONJSA-N 0 0 347.839 2.447 40 0 EEABRN COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O ZINC000058072750 463539098 /nfs/dbraw/zinc/53/90/98/463539098.db2.gz NGOZTTXXDUBBSG-ZDUSSCGKSA-N 0 0 333.388 2.123 40 0 EEABRN CCOC(=O)CN(CC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000058172548 463547188 /nfs/dbraw/zinc/54/71/88/463547188.db2.gz FXUYMPSCNNNPAG-UHFFFAOYSA-N 0 0 340.807 2.315 40 0 EEABRN CCOC(=O)[C@H]1CCc2sc(NC(=O)Cn3nc(C)cc3C)nc21 ZINC000042382912 463560931 /nfs/dbraw/zinc/56/09/31/463560931.db2.gz AFCDQJCVSOQYPQ-NSHDSACASA-N 0 0 348.428 2.188 40 0 EEABRN Cn1ccnc1CN1CC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107225950 463562670 /nfs/dbraw/zinc/56/26/70/463562670.db2.gz VZYDSRBYCRIYAR-SJLPKXTDSA-N 0 0 330.407 2.405 40 0 EEABRN O=C(NCCOC[C@H]1CCCO1)N1CCc2c(F)ccc(F)c2C1 ZINC000084159195 463582602 /nfs/dbraw/zinc/58/26/02/463582602.db2.gz DYOTXCWEITVHPU-GFCCVEGCSA-N 0 0 340.370 2.228 40 0 EEABRN COCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646434 463583027 /nfs/dbraw/zinc/58/30/27/463583027.db2.gz URTGHAGKUVZUTO-UHFFFAOYSA-N 0 0 338.713 2.450 40 0 EEABRN CCOC(=O)CC1CCN(c2ncc(Br)cn2)CC1 ZINC000167413379 463662721 /nfs/dbraw/zinc/66/27/21/463662721.db2.gz YHSOUNWALQDYMI-UHFFFAOYSA-N 0 0 328.210 2.409 40 0 EEABRN Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000044894618 463699083 /nfs/dbraw/zinc/69/90/83/463699083.db2.gz QIACWUREAPSXPQ-ZDUSSCGKSA-N 0 0 329.425 2.429 40 0 EEABRN COc1cccc(C[N@@H+]2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1F ZINC000257278479 463758024 /nfs/dbraw/zinc/75/80/24/463758024.db2.gz OCKWIMZRPQMBDF-ZDUSSCGKSA-N 0 0 346.406 2.249 40 0 EEABRN Cc1ccsc1C(=O)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291265 463764283 /nfs/dbraw/zinc/76/42/83/463764283.db2.gz QGHPLAXZPGLUIF-CYBMUJFWSA-N 0 0 333.413 2.026 40 0 EEABRN COc1ccccc1CN1CCO[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257295301 463766298 /nfs/dbraw/zinc/76/62/98/463766298.db2.gz QXTYIXKHJPDTRP-KRWDZBQOSA-N 0 0 330.432 2.053 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1 ZINC000257296470 463766728 /nfs/dbraw/zinc/76/67/28/463766728.db2.gz RCZCWRZDRGLJNI-LLVKDONJSA-N 0 0 341.337 2.340 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(Cc3nccs3)CCO2)ccn1 ZINC000257296280 463767655 /nfs/dbraw/zinc/76/76/55/463767655.db2.gz RCAVGIUYOJQCOP-OAHLLOKOSA-N 0 0 332.473 2.438 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)on1 ZINC000257302447 463769059 /nfs/dbraw/zinc/76/90/59/463769059.db2.gz SCZGERUTLPEVAD-GFCCVEGCSA-N 0 0 330.388 2.389 40 0 EEABRN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257316382 463775216 /nfs/dbraw/zinc/77/52/16/463775216.db2.gz VFJOPGNVJPQZPF-HNNXBMFYSA-N 0 0 329.400 2.328 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCN2C)cc1 ZINC000257317465 463775498 /nfs/dbraw/zinc/77/54/98/463775498.db2.gz VJVKSXUWNRSMNE-SFHVURJKSA-N 0 0 342.443 2.106 40 0 EEABRN O=C(c1c[nH]cn1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257320074 463776122 /nfs/dbraw/zinc/77/61/22/463776122.db2.gz VVGMORFYNATKRD-HKUYNNGSSA-N 0 0 341.411 2.390 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccsc2)n1 ZINC000257338307 463784766 /nfs/dbraw/zinc/78/47/66/463784766.db2.gz YWVCREFVJWZBGG-OAHLLOKOSA-N 0 0 330.413 2.152 40 0 EEABRN O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1n[nH]c2c1CCCC2 ZINC000257341886 463785602 /nfs/dbraw/zinc/78/56/02/463785602.db2.gz ZMHXFTMYJJUCEB-HNNXBMFYSA-N 0 0 341.415 2.250 40 0 EEABRN COc1ccc(CN2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340348 463786019 /nfs/dbraw/zinc/78/60/19/463786019.db2.gz ZFPQQMORLXQGCH-LJQANCHMSA-N 0 0 340.427 2.065 40 0 EEABRN COc1cccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260897685 463793142 /nfs/dbraw/zinc/79/31/42/463793142.db2.gz JZYIVJBTPMXLFT-CHWSQXEVSA-N 0 0 342.461 2.010 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260901820 463793417 /nfs/dbraw/zinc/79/34/17/463793417.db2.gz OICOQVDSVLZJIV-STQMWFEESA-N 0 0 342.461 2.010 40 0 EEABRN Cc1cnc(N2CCN(c3cccnn3)CC2)c(Br)c1 ZINC000194315896 463834666 /nfs/dbraw/zinc/83/46/66/463834666.db2.gz SRRFIXQHFRDGIC-UHFFFAOYSA-N 0 0 334.221 2.269 40 0 EEABRN Cc1cnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000194322546 463836235 /nfs/dbraw/zinc/83/62/35/463836235.db2.gz OCZSSYBZPJJTMO-TZMCWYRMSA-N 0 0 340.265 2.309 40 0 EEABRN COc1cc(N2CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)ccc1F ZINC000283686005 463973467 /nfs/dbraw/zinc/97/34/67/463973467.db2.gz UXDNZPYOKPIUDH-STQMWFEESA-N 0 0 339.411 2.089 40 0 EEABRN C[C@H]1CN(C(=O)NCC2CCC3(CC2)OCCO3)CC(C)(C)O1 ZINC000178930524 464017766 /nfs/dbraw/zinc/01/77/66/464017766.db2.gz DEZHHOUGHICRBK-ZDUSSCGKSA-N 0 0 326.437 2.129 40 0 EEABRN Cn1cc(CNC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cn1 ZINC000172314423 464051194 /nfs/dbraw/zinc/05/11/94/464051194.db2.gz QEYPVZJPDOAMEO-UHFFFAOYSA-N 0 0 338.415 2.386 40 0 EEABRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000195530551 464071589 /nfs/dbraw/zinc/07/15/89/464071589.db2.gz YMSCYNJRGLOUGU-ZSDNHXBWSA-N 0 0 344.864 2.270 40 0 EEABRN C[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCN1CC(F)(F)F ZINC000195546955 464074479 /nfs/dbraw/zinc/07/44/79/464074479.db2.gz FVQWCCVWQAAVJC-WDEREUQCSA-N 0 0 325.400 2.160 40 0 EEABRN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@H]1c1cc[nH]n1 ZINC000279252627 464079102 /nfs/dbraw/zinc/07/91/02/464079102.db2.gz UAAWGSMVVBLJDL-WFASDCNBSA-N 0 0 328.347 2.338 40 0 EEABRN COc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222407128 464130207 /nfs/dbraw/zinc/13/02/07/464130207.db2.gz HSVPLCJNXYBODI-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 ZINC000223706809 464147031 /nfs/dbraw/zinc/14/70/31/464147031.db2.gz KDXJKDPUOFQUDM-CVEARBPZSA-N 0 0 344.440 2.254 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1C(=O)NC(C)C ZINC000225209681 464154466 /nfs/dbraw/zinc/15/44/66/464154466.db2.gz HFTYNKKDZJVTBV-GFCCVEGCSA-N 0 0 342.461 2.156 40 0 EEABRN CC[C@@H](C)[C@@H](C(=O)N[C@H](CO)C(C)C)N1Cc2ccccc2C1=O ZINC000225414090 464158655 /nfs/dbraw/zinc/15/86/55/464158655.db2.gz GRFUKDNYRJPYSX-XYPHTWIQSA-N 0 0 332.444 2.190 40 0 EEABRN CN(C(=O)[C@H](N)c1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000225463883 464162160 /nfs/dbraw/zinc/16/21/60/464162160.db2.gz KIRJJAMCKVZODE-DLBZAZTESA-N 0 0 341.386 2.089 40 0 EEABRN COc1ccccc1CN1CC[C@@H](CO)N(C)c2ncccc2C1 ZINC000225492599 464166848 /nfs/dbraw/zinc/16/68/48/464166848.db2.gz RVPLUQNAMAHZKD-KRWDZBQOSA-N 0 0 327.428 2.293 40 0 biogenic,in-vitro EEABRN COC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000225600631 464175071 /nfs/dbraw/zinc/17/50/71/464175071.db2.gz DIVCYKUQQIIQHE-XJKSGUPXSA-N 0 0 348.353 2.399 40 0 EEABRN COc1cccc(S(=O)(=O)NCCc2ccc([C@@H](C)O)s2)c1 ZINC000225688495 464180284 /nfs/dbraw/zinc/18/02/84/464180284.db2.gz NQMIUYOOLFOMSB-LLVKDONJSA-N 0 0 341.454 2.331 40 0 EEABRN O=C(C1CC1)N1CCCN(c2ccc(OC(F)(F)F)cn2)CC1 ZINC000225713601 464181477 /nfs/dbraw/zinc/18/14/77/464181477.db2.gz SDQNLMLKEOVYBS-UHFFFAOYSA-N 0 0 329.322 2.429 40 0 EEABRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C3(O)CCCC3)C2=O)c(C)c1 ZINC000188079637 464193480 /nfs/dbraw/zinc/19/34/80/464193480.db2.gz DGERGTPGHDRUIF-OAHLLOKOSA-N 0 0 330.428 2.138 40 0 EEABRN CC[C@]1(C)CN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CCO1 ZINC000188195742 464221839 /nfs/dbraw/zinc/22/18/39/464221839.db2.gz FQACJWHWIKHJFE-SUMWQHHRSA-N 0 0 335.452 2.447 40 0 EEABRN CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(Br)o1 ZINC000238828075 464437430 /nfs/dbraw/zinc/43/74/30/464437430.db2.gz FFTDKKXFZWIMTK-VIFPVBQESA-N 0 0 327.182 2.088 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)NCc3cccs3)CC2)n1 ZINC000238954065 464441402 /nfs/dbraw/zinc/44/14/02/464441402.db2.gz XOFGDVCCQWJARS-UHFFFAOYSA-N 0 0 347.444 2.020 40 0 EEABRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2snnc2C)c1 ZINC000190471911 464652414 /nfs/dbraw/zinc/65/24/14/464652414.db2.gz JHQNWQRASCNPEP-JTQLQIEISA-N 0 0 332.429 2.305 40 0 EEABRN COCCn1cc(CNC(=O)Nc2cc(C)cc(OC)c2C)cn1 ZINC000281973544 464654129 /nfs/dbraw/zinc/65/41/29/464654129.db2.gz FRVKNQOURAMJRH-UHFFFAOYSA-N 0 0 332.404 2.477 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ncc(F)cc1F ZINC000190527591 464669077 /nfs/dbraw/zinc/66/90/77/464669077.db2.gz XUKGSEIXNCKEAP-CYBMUJFWSA-N 0 0 349.312 2.424 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccncc1)c1ccco1 ZINC000247470387 464682739 /nfs/dbraw/zinc/68/27/39/464682739.db2.gz FEMMUBDUJPRRRE-JZXOWHBKSA-N 0 0 341.411 2.084 40 0 EEABRN O=C(NCC[C@@H]1CN(C2CCC2)Cc2ccnn21)c1cccnc1 ZINC000247526958 464690953 /nfs/dbraw/zinc/69/09/53/464690953.db2.gz ZRCSTXWIMBKIOB-MRXNPFEDSA-N 0 0 325.416 2.007 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000247849169 464709668 /nfs/dbraw/zinc/70/96/68/464709668.db2.gz IDXXXGOJLPIAIW-MRXNPFEDSA-N 0 0 348.468 2.111 40 0 EEABRN CC(C)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 ZINC000248030161 464724201 /nfs/dbraw/zinc/72/42/01/464724201.db2.gz XJBNHUMFZRWXAD-HNNXBMFYSA-N 0 0 332.473 2.459 40 0 EEABRN COCCN1CC[C@]2(CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2C)C1=O ZINC000248087494 464728836 /nfs/dbraw/zinc/72/88/36/464728836.db2.gz FNWRXBZAOLFCJU-AUUYWEPGSA-N 0 0 348.418 2.091 40 0 EEABRN C[C@@H](Sc1nnnn1C)C(=O)c1ccccc1Br ZINC000190967884 464753224 /nfs/dbraw/zinc/75/32/24/464753224.db2.gz AWLGXGJDVYTUPA-SSDOTTSWSA-N 0 0 327.207 2.336 40 0 EEABRN Cc1cccc(OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1F ZINC000182970424 464767435 /nfs/dbraw/zinc/76/74/35/464767435.db2.gz IXCYGRSDKROMPC-UHFFFAOYSA-N 0 0 348.418 2.374 40 0 EEABRN COc1ccccc1-n1ncc(C(=O)N[C@H](C)c2ncon2)c1C ZINC000192567751 464948117 /nfs/dbraw/zinc/94/81/17/464948117.db2.gz NQICCYVFUHSDDQ-SNVBAGLBSA-N 0 0 327.344 2.063 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@@H]3CCCC[C@H]3C)c2C)no1 ZINC000252478394 464959478 /nfs/dbraw/zinc/95/94/78/464959478.db2.gz ALEMYBKHVILHSE-BXKDBHETSA-N 0 0 333.396 2.026 40 0 EEABRN CC(=O)NC1CN(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)C1 ZINC000252490076 464966483 /nfs/dbraw/zinc/96/64/83/464966483.db2.gz KILQYTNGUWZMBB-CYBMUJFWSA-N 0 0 345.447 2.121 40 0 EEABRN Cc1cnc(CNC(=O)NC2CCN(c3nccs3)CC2)s1 ZINC000252489877 464966861 /nfs/dbraw/zinc/96/68/61/464966861.db2.gz KDYHGVNGZAXUKB-UHFFFAOYSA-N 0 0 337.474 2.376 40 0 EEABRN CN1CC[C@H](Nc2cnc(C(N)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537256 464981716 /nfs/dbraw/zinc/98/17/16/464981716.db2.gz KUJUIBKCKQBQGK-SWLSCSKDSA-N 0 0 349.797 2.225 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 ZINC000252535930 464981759 /nfs/dbraw/zinc/98/17/59/464981759.db2.gz HFGVMEUVXIIHJH-SHTZXODSSA-N 0 0 347.440 2.454 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN(c3nccc(C(C)C)n3)CC2)n1 ZINC000192787198 464997776 /nfs/dbraw/zinc/99/77/76/464997776.db2.gz SHGYWVCSCIKAMM-CQSZACIVSA-N 0 0 342.447 2.287 40 0 EEABRN Cc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000253394420 464999213 /nfs/dbraw/zinc/99/92/13/464999213.db2.gz ZTCCLTSBOLWSRF-HDJSIYSDSA-N 0 0 330.363 2.439 40 0 EEABRN COC(=O)c1cn([C@@H]2CCCN(Cc3cccc(OC)c3F)C2)nn1 ZINC000253397153 465000686 /nfs/dbraw/zinc/00/06/86/465000686.db2.gz FKUPLRVEYPGNLK-CYBMUJFWSA-N 0 0 348.378 2.050 40 0 EEABRN Cn1cc(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)c2ccccc21 ZINC000253401104 465001492 /nfs/dbraw/zinc/00/14/92/465001492.db2.gz MMQYXPFKMCTHMW-FHLIZLRMSA-N 0 0 328.412 2.174 40 0 EEABRN Nc1ccnc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000253420854 465008711 /nfs/dbraw/zinc/00/87/11/465008711.db2.gz DEFFJDOYVAUTQL-ZDUSSCGKSA-N 0 0 336.342 2.234 40 0 EEABRN CC[C@H](C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1)c1ccccc1 ZINC000253425437 465010486 /nfs/dbraw/zinc/01/04/86/465010486.db2.gz CELNZUXKJGETPJ-INIZCTEOSA-N 0 0 340.427 2.324 40 0 EEABRN Cc1nc([C@H]2CN(c3nnc(Cc4ccccc4)s3)CCO2)no1 ZINC000253426628 465011779 /nfs/dbraw/zinc/01/17/79/465011779.db2.gz KQGVSLKGZAENHU-CYBMUJFWSA-N 0 0 343.412 2.398 40 0 EEABRN CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)CCS1 ZINC000253431593 465014416 /nfs/dbraw/zinc/01/44/16/465014416.db2.gz SNCDYTYEATYCBM-OAHLLOKOSA-N 0 0 336.457 2.486 40 0 EEABRN COCCc1nsc(N2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000253432813 465015338 /nfs/dbraw/zinc/01/53/38/465015338.db2.gz OLQSPGDGTMYUNL-CQSZACIVSA-N 0 0 332.473 2.438 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccc3OC)C2)c1F ZINC000253473571 465016338 /nfs/dbraw/zinc/01/63/38/465016338.db2.gz WLVCUKBJHZNJBK-LBPRGKRZSA-N 0 0 345.374 2.480 40 0 EEABRN C[C@@H](C(=O)N1CCC(Cc2ncc[nH]2)CC1)N(C)CC(F)(F)F ZINC000330612118 465732605 /nfs/dbraw/zinc/73/26/05/465732605.db2.gz PVEJTPLOHQMWTM-NSHDSACASA-N 0 0 332.370 2.073 40 0 EEABRN CN(Cc1cc(Cl)ccc1F)C(=O)C1CCS(=O)(=O)CC1 ZINC000330948577 465870636 /nfs/dbraw/zinc/87/06/36/465870636.db2.gz CDWMKFNFDNTTFS-UHFFFAOYSA-N 0 0 333.812 2.262 40 0 EEABRN O=C(N[C@@H]1CCCC(F)(F)C1)c1cccnc1N1CCOCC1 ZINC000331363628 466048450 /nfs/dbraw/zinc/04/84/50/466048450.db2.gz AMGOUZFTWVSKFO-GFCCVEGCSA-N 0 0 325.359 2.226 40 0 EEABRN CC[C@@H](C)n1nc(NC(=O)NCc2cn3c(n2)CCCC3)cc1C ZINC000331677418 466192338 /nfs/dbraw/zinc/19/23/38/466192338.db2.gz VNAMMEGVUUHGBK-GFCCVEGCSA-N 0 0 330.436 3.017 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000331979499 466331993 /nfs/dbraw/zinc/33/19/93/466331993.db2.gz AYPMWIASSRMRHU-INIZCTEOSA-N 0 0 343.427 2.486 40 0 EEABRN FC(F)(F)Cc1noc(CN2CCC(Cn3cccn3)CC2)n1 ZINC000332090418 466380743 /nfs/dbraw/zinc/38/07/43/466380743.db2.gz LEOURPNTHVEZLG-UHFFFAOYSA-N 0 0 329.326 2.283 40 0 EEABRN Cc1ccccc1CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C1 ZINC000306144220 466494290 /nfs/dbraw/zinc/49/42/90/466494290.db2.gz YZNKTAOWNOQDNF-UHFFFAOYSA-N 0 0 335.411 2.177 40 0 EEABRN Cn1ccc([C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000390828923 467412181 /nfs/dbraw/zinc/41/21/81/467412181.db2.gz CFUYQKDCEHBEJP-CYBMUJFWSA-N 0 0 327.384 2.211 40 0 EEABRN COCCNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000390835446 467415153 /nfs/dbraw/zinc/41/51/53/467415153.db2.gz NYTHERHVVSPDTO-UHFFFAOYSA-N 0 0 349.156 2.143 40 0 EEABRN CCOCC(=O)N1CC2(C1)C[C@H](OCc1cccc(C)n1)CS2 ZINC000575405636 468141546 /nfs/dbraw/zinc/14/15/46/468141546.db2.gz SWOQAKQASMJLFL-HNNXBMFYSA-N 0 0 336.457 2.030 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c1 ZINC000575403597 468141822 /nfs/dbraw/zinc/14/18/22/468141822.db2.gz JBXKIGZCRUKTOL-MRXNPFEDSA-N 0 0 339.395 2.238 40 0 EEABRN O=C(Cc1ccc(F)cc1F)NCc1cncc(N2CCCC2=O)c1 ZINC000575609334 468147574 /nfs/dbraw/zinc/14/75/74/468147574.db2.gz WBWYNCVXYSOEHT-UHFFFAOYSA-N 0 0 345.349 2.346 40 0 EEABRN Cn1cnc2c1C[C@@H](CNc1ncccn1)N(Cc1ccccc1)C2 ZINC000585094971 468964220 /nfs/dbraw/zinc/96/42/20/468964220.db2.gz XQKUZKBZGYDBTK-INIZCTEOSA-N 0 0 334.427 2.249 40 0 EEABRN CCOCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC000585097612 468966056 /nfs/dbraw/zinc/96/60/56/468966056.db2.gz NPVIDQAUMJLTAU-GFCCVEGCSA-N 0 0 330.388 2.120 40 0 EEABRN O=C(NC[C@@H]1CCC2(CN(Cc3ccoc3)C2)OC1)N1CCCC1 ZINC000585105392 468971538 /nfs/dbraw/zinc/97/15/38/468971538.db2.gz VZCWBHQXUDFZDA-HNNXBMFYSA-N 0 0 333.432 2.066 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@H]12 ZINC000585109249 468973937 /nfs/dbraw/zinc/97/39/37/468973937.db2.gz FFWWGSHTYNWXQS-RBSFLKMASA-N 0 0 334.441 2.036 40 0 EEABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccnc1 ZINC000585111193 468974422 /nfs/dbraw/zinc/97/44/22/468974422.db2.gz ILUKIMCRNNALPY-SFHVURJKSA-N 0 0 348.406 2.370 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112262 468974735 /nfs/dbraw/zinc/97/47/35/468974735.db2.gz MDFSSEOHPUWBBZ-HNNXBMFYSA-N 0 0 330.457 2.418 40 0 EEABRN COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000585140540 468988643 /nfs/dbraw/zinc/98/86/43/468988643.db2.gz GRKNJNVSMDIMQQ-LSDHHAIUSA-N 0 0 332.425 2.340 40 0 EEABRN CNc1cccc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3)C2)n1 ZINC000585276690 469002197 /nfs/dbraw/zinc/00/21/97/469002197.db2.gz OYNQEZNKQBFLLV-NVXWUHKLSA-N 0 0 325.412 2.189 40 0 EEABRN CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc(OC(C)C)cc1 ZINC000585278557 469004412 /nfs/dbraw/zinc/00/44/12/469004412.db2.gz OWYWWSPXJLIOHR-IBGZPJMESA-N 0 0 348.443 2.231 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cccnn2)CC[C@@H]1Cc1ccccc1F ZINC000585278990 469004520 /nfs/dbraw/zinc/00/45/20/469004520.db2.gz JXBOSSJXJOBJCI-RHSMWYFYSA-N 0 0 329.375 2.336 40 0 EEABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cccc(Cl)c1 ZINC000585279124 469005317 /nfs/dbraw/zinc/00/53/17/469005317.db2.gz TZNWZSWOZMPFSV-GJZGRUSLSA-N 0 0 338.835 2.486 40 0 EEABRN CO[C@@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279460 469006545 /nfs/dbraw/zinc/00/65/45/469006545.db2.gz MNKKERGGGHKBFO-NVXWUHKLSA-N 0 0 331.391 2.128 40 0 EEABRN Nc1n[nH]c(C2CCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)n1 ZINC000647732165 470970918 /nfs/dbraw/zinc/97/09/18/470970918.db2.gz VFBUYJIGBNYKIB-UHFFFAOYSA-N 0 0 339.443 2.506 40 0 EEABRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCCN1C(=O)CNC1=O ZINC000096134041 533730840 /nfs/dbraw/zinc/73/08/40/533730840.db2.gz LLJGXDJRRMMOBK-CQSZACIVSA-N 0 0 345.443 2.191 40 0 EEABRN CCCn1ccc2cc(NC(=O)C(=O)NCc3cnn(C)c3)ccc21 ZINC000096413489 521657176 /nfs/dbraw/zinc/65/71/76/521657176.db2.gz MPQQFKJMHCCQDW-UHFFFAOYSA-N 0 0 339.399 2.040 40 0 EEABRN Cc1cnc([C@H](C)CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000184438892 534634022 /nfs/dbraw/zinc/63/40/22/534634022.db2.gz QKWSCOYTOFYLCF-DGCLKSJQSA-N 0 0 333.461 2.488 40 0 EEABRN NC(=O)[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2F)o1 ZINC000096443298 526986183 /nfs/dbraw/zinc/98/61/83/526986183.db2.gz KRQQFDGGPRDKAP-HNNXBMFYSA-N 0 0 338.342 2.292 40 0 EEABRN CCNC(=O)N1CC[C@H](NC(=O)NCCc2cc3ccccc3o2)C1 ZINC000096473682 528149115 /nfs/dbraw/zinc/14/91/15/528149115.db2.gz ZZDUUGFKDMSAHC-AWEZNQCLSA-N 0 0 344.415 2.078 40 0 EEABRN CC[C@](C)(COc1ncccc1Cl)NC(=O)C1=COCCO1 ZINC000132857030 529365713 /nfs/dbraw/zinc/36/57/13/529365713.db2.gz XLLJTCOAVADFPW-OAHLLOKOSA-N 0 0 326.780 2.287 40 0 EEABRN CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@H]1CCCO1 ZINC000227153408 535333466 /nfs/dbraw/zinc/33/34/66/535333466.db2.gz DBKPFAQBOQPHFC-OAHLLOKOSA-N 0 0 329.400 2.325 40 0 EEABRN COc1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)c(=O)oc2c1 ZINC000226042982 537032529 /nfs/dbraw/zinc/03/25/29/537032529.db2.gz WDWUIPBMYQDVES-UHFFFAOYSA-N 0 0 338.319 2.153 40 0 EEABRN CCOC(=O)c1cnc(Cc2ccc(Br)cc2)[nH]c1=O ZINC000050103056 214044953 /nfs/dbraw/zinc/04/49/53/214044953.db2.gz XKLJTZYESDZIGA-UHFFFAOYSA-N 0 0 337.173 2.300 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000057315129 214418385 /nfs/dbraw/zinc/41/83/85/214418385.db2.gz HTZSLWAURUCXLH-QWHCGFSZSA-N 0 0 338.835 2.343 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000048242755 213901458 /nfs/dbraw/zinc/90/14/58/213901458.db2.gz PAYKCJYHXKQJDU-SNVBAGLBSA-N 0 0 326.356 2.072 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)NCC2(c3ccccc3)CCC2)C[C@H](C)O1 ZINC000045772856 213755252 /nfs/dbraw/zinc/75/52/52/213755252.db2.gz ZYHRRZCJDHQAIF-GASCZTMLSA-N 0 0 338.473 2.052 40 0 EEABRN CCCn1c2ccccc2n(CC(=O)N[C@@H](C)c2ccncc2)c1=O ZINC000044889441 213658012 /nfs/dbraw/zinc/65/80/12/213658012.db2.gz RZDKVWBUILDVGR-AWEZNQCLSA-N 0 0 338.411 2.485 40 0 EEABRN CCc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000041122345 213418103 /nfs/dbraw/zinc/41/81/03/213418103.db2.gz BRELBCZTZIPZKG-LLVKDONJSA-N 0 0 339.392 2.339 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 ZINC000040714815 213373693 /nfs/dbraw/zinc/37/36/93/213373693.db2.gz FAJODIRBQNSGCW-NSHDSACASA-N 0 0 335.433 2.448 40 0 EEABRN Nc1ccnc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302035 234147328 /nfs/dbraw/zinc/14/73/28/234147328.db2.gz AKXNNGURIZMSLV-AWEZNQCLSA-N 0 0 335.415 2.224 40 0 EEABRN O=C(NCc1nnc2n1CCCCC2)c1cc(Br)c[nH]1 ZINC000040475427 213311638 /nfs/dbraw/zinc/31/16/38/213311638.db2.gz SERZJJHJLAKYDL-UHFFFAOYSA-N 0 0 338.209 2.025 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCCN(C)CC(F)(F)F)c(C)c1 ZINC000040105656 213265109 /nfs/dbraw/zinc/26/51/09/213265109.db2.gz HHXXHPDHXXSBLP-UHFFFAOYSA-N 0 0 338.395 2.466 40 0 EEABRN Fc1cccnc1O[C@@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000247491007 283032535 /nfs/dbraw/zinc/03/25/35/283032535.db2.gz BLHDAJJSWQRNMF-HNNXBMFYSA-N 0 0 328.347 2.474 40 0 EEABRN Cc1cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sn1 ZINC000038680764 213220708 /nfs/dbraw/zinc/22/07/08/213220708.db2.gz SATPNUJJDPYDCT-UHFFFAOYSA-N 0 0 329.381 2.466 40 0 EEABRN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCc2cnccc21 ZINC000183657293 235185716 /nfs/dbraw/zinc/18/57/16/235185716.db2.gz SFCKXEQRNOBGFT-OAHLLOKOSA-N 0 0 331.441 2.062 40 0 EEABRN C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H](C(N)=O)O1 ZINC000187464336 236218100 /nfs/dbraw/zinc/21/81/00/236218100.db2.gz ICZGZQXMBDQYAB-PRHODGIISA-N 0 0 336.741 2.433 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCc2ccccc21 ZINC000035313718 213020549 /nfs/dbraw/zinc/02/05/49/213020549.db2.gz HZAYOUUPWCTMET-HNNXBMFYSA-N 0 0 338.363 2.200 40 0 EEABRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCNC(=O)[C@H]1C ZINC000072096379 216007110 /nfs/dbraw/zinc/00/71/10/216007110.db2.gz PZSNMGCFYPGJNB-SNVBAGLBSA-N 0 0 337.445 2.002 40 0 EEABRN Cc1cc(CCC(N)=O)cc(C2CCN(c3ccnc(C)n3)CC2)n1 ZINC000072360516 216167798 /nfs/dbraw/zinc/16/77/98/216167798.db2.gz RDCCZNZDLFGPKH-UHFFFAOYSA-N 0 0 339.443 2.290 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@H](Cc2cncc3ccccc32)C1 ZINC000072368765 216176254 /nfs/dbraw/zinc/17/62/54/216176254.db2.gz BEGGUBUMPZBJQR-CYBMUJFWSA-N 0 0 342.424 2.211 40 0 EEABRN Cc1nccn1C[C@@H](C)CNC(=O)N1CCN(c2cccs2)CC1 ZINC000131928553 223284753 /nfs/dbraw/zinc/28/47/53/223284753.db2.gz CHIQUGKASDZJAS-AWEZNQCLSA-N 0 0 347.488 2.421 40 0 EEABRN Cc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccn4c3)CC2)o1 ZINC000073243830 216367956 /nfs/dbraw/zinc/36/79/56/216367956.db2.gz XCRDBPBEHYAIOY-UHFFFAOYSA-N 0 0 337.379 2.439 40 0 EEABRN C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C1CCOCC1 ZINC000253591216 291327570 /nfs/dbraw/zinc/32/75/70/291327570.db2.gz KTQNSOOFQUTXCK-AWEZNQCLSA-N 0 0 346.475 2.040 40 0 EEABRN CCn1ncnc1CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000193317129 240105098 /nfs/dbraw/zinc/10/50/98/240105098.db2.gz CFXMEKFTWXAAKK-UHFFFAOYSA-N 0 0 347.850 2.300 40 0 EEABRN C[C@@H](C(=O)N1CCc2sccc2C1)n1nc(-c2ccco2)oc1=O ZINC000193364594 240133797 /nfs/dbraw/zinc/13/37/97/240133797.db2.gz YCSBOZJWZGSEKU-JTQLQIEISA-N 0 0 345.380 2.304 40 0 EEABRN CCc1ccccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000075162036 216591571 /nfs/dbraw/zinc/59/15/71/216591571.db2.gz XKXAIMQSSFPBMS-UHFFFAOYSA-N 0 0 340.431 2.435 40 0 EEABRN NC(=O)c1ccc(N2CCC[C@H](Oc3ccccc3Cl)C2)nn1 ZINC000195575609 241022519 /nfs/dbraw/zinc/02/25/19/241022519.db2.gz WTBUVQWUFHMEKE-NSHDSACASA-N 0 0 332.791 2.277 40 0 EEABRN Cn1cc([C@H]2CN(C(=O)c3cccnc3C(F)(F)F)CCO2)cn1 ZINC000195578054 241025546 /nfs/dbraw/zinc/02/55/46/241025546.db2.gz DNWRBTMIWKDOAQ-GFCCVEGCSA-N 0 0 340.305 2.048 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218478754 241325877 /nfs/dbraw/zinc/32/58/77/241325877.db2.gz XHUMFLLNFWAUSZ-OFQRWUPVSA-N 0 0 341.498 2.205 40 0 EEABRN COc1cc(=O)n(C)cc1C(=O)Nc1ccccc1Br ZINC000225649746 241970303 /nfs/dbraw/zinc/97/03/03/241970303.db2.gz RWUGPICEXIPLPU-UHFFFAOYSA-N 0 0 337.173 2.409 40 0 EEABRN Cc1nsc2ncn(C[C@H](O)COc3cc(C)ccc3C)c(=O)c12 ZINC000225576749 241934073 /nfs/dbraw/zinc/93/40/73/241934073.db2.gz WAXAIWWQXFETLM-ZDUSSCGKSA-N 0 0 345.424 2.218 40 0 EEABRN Cc1cc(N2CCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 ZINC000225909416 242075901 /nfs/dbraw/zinc/07/59/01/242075901.db2.gz IIGXDIJJNWUCIS-ZDUSSCGKSA-N 0 0 335.477 2.241 40 0 EEABRN O=C(c1cnccn1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732219 242008725 /nfs/dbraw/zinc/00/87/25/242008725.db2.gz BXRPLBXPDKWYLY-NSHDSACASA-N 0 0 338.289 2.184 40 0 EEABRN C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC1CCC(O)CC1 ZINC000227150183 242122247 /nfs/dbraw/zinc/12/22/47/242122247.db2.gz TUVFQSHFDHWTSJ-VQCLRJIVSA-N 0 0 329.400 2.059 40 0 EEABRN COc1ccc(OCc2cn(CC(=O)N3CCC[C@@H](C)C3)nn2)cc1 ZINC000227167900 242127214 /nfs/dbraw/zinc/12/72/14/242127214.db2.gz JZZLXONVFBFYHN-CQSZACIVSA-N 0 0 344.415 2.124 40 0 EEABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2cc3ccccc3o2)n1 ZINC000021596169 212232597 /nfs/dbraw/zinc/23/25/97/212232597.db2.gz FNGANRKTYQYBGR-UHFFFAOYSA-N 0 0 344.400 2.202 40 0 EEABRN COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1OC)CC2=O ZINC000020800714 212173299 /nfs/dbraw/zinc/17/32/99/212173299.db2.gz BEODCNMDYDHWCT-SNVBAGLBSA-N 0 0 327.336 2.083 40 0 EEABRN Cc1cnc(NCC[C@H]2CCOC23CN(Cc2ccccn2)C3)nc1 ZINC000253600774 244035668 /nfs/dbraw/zinc/03/56/68/244035668.db2.gz YMUPSYKLCGLQLP-INIZCTEOSA-N 0 0 339.443 2.273 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)Cc1sc(C)nc1C ZINC000257200293 244116855 /nfs/dbraw/zinc/11/68/55/244116855.db2.gz ACTSZQITWBPXHK-OAHLLOKOSA-N 0 0 345.468 2.484 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257218384 244174324 /nfs/dbraw/zinc/17/43/24/244174324.db2.gz DCYDGZNMFCCZKT-ZDUSSCGKSA-N 0 0 327.384 2.276 40 0 EEABRN O=C(CCc1cccnc1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257212858 244158416 /nfs/dbraw/zinc/15/84/16/244158416.db2.gz CFGAQNWEBOEOIQ-UHFFFAOYSA-N 0 0 337.427 2.297 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257221475 244186132 /nfs/dbraw/zinc/18/61/32/244186132.db2.gz DPEGGRNXGRDZNY-OAHLLOKOSA-N 0 0 336.399 2.319 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)C2CCCC2)C1 ZINC000257224619 244195156 /nfs/dbraw/zinc/19/51/56/244195156.db2.gz FCPAIXOUNHVBOY-ZDUSSCGKSA-N 0 0 338.477 2.045 40 0 EEABRN Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1 ZINC000257226239 244200583 /nfs/dbraw/zinc/20/05/83/244200583.db2.gz FJTUFEPNLVATQK-QZTJIDSGSA-N 0 0 327.380 2.317 40 0 EEABRN CCn1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cn1 ZINC000257229767 244209943 /nfs/dbraw/zinc/20/99/43/244209943.db2.gz FZKMYNMLYDFDIF-WMZOPIPTSA-N 0 0 347.390 2.087 40 0 EEABRN Cn1nccc1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccncc2)o1 ZINC000257220049 244179921 /nfs/dbraw/zinc/17/99/21/244179921.db2.gz DJHOHEXFVOQLFH-CYBMUJFWSA-N 0 0 338.371 2.233 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)nc(C)n1 ZINC000257245519 244255971 /nfs/dbraw/zinc/25/59/71/244255971.db2.gz IPWQSGNDJKFGON-QGZVFWFLSA-N 0 0 329.375 2.375 40 0 EEABRN Nc1cccc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257238575 244235488 /nfs/dbraw/zinc/23/54/88/244235488.db2.gz HLQWQWLGJQOQHZ-KRWDZBQOSA-N 0 0 337.379 2.040 40 0 EEABRN Cn1nccc1-c1cnc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)cn1 ZINC000257250185 244268032 /nfs/dbraw/zinc/26/80/32/244268032.db2.gz JLKBAIPSVMEFFX-ZDUSSCGKSA-N 0 0 327.432 2.314 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000134358939 223490037 /nfs/dbraw/zinc/49/00/37/223490037.db2.gz JGUXDNQBTLEQEI-GVXVVHGQSA-N 0 0 328.359 2.207 40 0 EEABRN NC(=O)c1cc(C[C@H]2CCCN(C(=O)CC3CCCC3)CC2)ncn1 ZINC000257261039 244346784 /nfs/dbraw/zinc/34/67/84/244346784.db2.gz LFMGFAFSIRCPRK-HNNXBMFYSA-N 0 0 344.459 2.327 40 0 EEABRN O=C(CC1CCCC1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O ZINC000257274677 244389915 /nfs/dbraw/zinc/38/99/15/244389915.db2.gz NMBOIIOROUZDRI-FPAYPSAMSA-N 0 0 333.428 2.015 40 0 EEABRN CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000257278065 244398018 /nfs/dbraw/zinc/39/80/18/244398018.db2.gz OAPLARIZAFAGBP-SFHVURJKSA-N 0 0 344.436 2.281 40 0 EEABRN Cc1nc(-c2nccn2C)cc(C2CCN(c3ccncn3)CC2)n1 ZINC000257304083 244473218 /nfs/dbraw/zinc/47/32/18/244473218.db2.gz SJZHDUIWTHUNIA-UHFFFAOYSA-N 0 0 335.415 2.360 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cncc(CN(C)C)n2)cs1 ZINC000257315926 244503855 /nfs/dbraw/zinc/50/38/55/244503855.db2.gz VDGZDGJTGFKPAL-MRXNPFEDSA-N 0 0 345.472 2.209 40 0 EEABRN Nc1cccc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 ZINC000257321057 244518375 /nfs/dbraw/zinc/51/83/75/244518375.db2.gz VZXJGXMJQDBLCV-QGZVFWFLSA-N 0 0 334.379 2.426 40 0 EEABRN COCCC(=O)N1CCOC[C@@H](Cc2ccc3c(ccn3C)c2)C1 ZINC000257329206 244544318 /nfs/dbraw/zinc/54/43/18/244544318.db2.gz XIYFHUCQQNUBBB-INIZCTEOSA-N 0 0 330.428 2.232 40 0 EEABRN Cc1cccn2cc(C(=O)N3CC(C(=O)N4CCCCCC4)C3)nc12 ZINC000019748586 212062540 /nfs/dbraw/zinc/06/25/40/212062540.db2.gz QOLKFYXMTGCSKV-UHFFFAOYSA-N 0 0 340.427 2.117 40 0 EEABRN COc1ccc(N2C[C@H](C(=O)N(C)CC(F)(F)F)CC2=O)cc1 ZINC000019585940 212047288 /nfs/dbraw/zinc/04/72/88/212047288.db2.gz DXHXDADHSBTRSF-SNVBAGLBSA-N 0 0 330.306 2.069 40 0 EEABRN O=C1CCCN1CCN1CCN(c2nsc3ccccc32)CC1 ZINC000019376164 212023912 /nfs/dbraw/zinc/02/39/12/212023912.db2.gz YCTHRPQNLCSVKS-UHFFFAOYSA-N 0 0 330.457 2.041 40 0 EEABRN Cc1ccc(NC(=O)NCCc2ccccc2F)cc1-n1cnnn1 ZINC000044246568 213615063 /nfs/dbraw/zinc/61/50/63/213615063.db2.gz MFCDYJWJCNELSP-UHFFFAOYSA-N 0 0 340.362 2.474 40 0 EEABRN C[C@@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 ZINC000049959288 214037667 /nfs/dbraw/zinc/03/76/67/214037667.db2.gz IDKHDMYFQLHKKG-QGZVFWFLSA-N 0 0 334.441 2.184 40 0 EEABRN Cc1cnc(C(=O)N2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cn1 ZINC000019239379 212008815 /nfs/dbraw/zinc/00/88/15/212008815.db2.gz NKNINFPQRRIDMM-UHFFFAOYSA-N 0 0 336.399 2.385 40 0 EEABRN Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccco3)CC1)O2 ZINC000019219115 212005399 /nfs/dbraw/zinc/00/53/99/212005399.db2.gz IWKVTQSJATZEFF-UHFFFAOYSA-N 0 0 340.379 2.385 40 0 EEABRN Cn1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000078664857 217097714 /nfs/dbraw/zinc/09/77/14/217097714.db2.gz LYZLMWXEEYTJIR-LLVKDONJSA-N 0 0 328.294 2.294 40 0 EEABRN CC(C)n1c(N)nnc1SCCn1cc(Br)cn1 ZINC000078875187 217135433 /nfs/dbraw/zinc/13/54/33/217135433.db2.gz REGRNOCOCQMLEL-UHFFFAOYSA-N 0 0 331.243 2.193 40 0 EEABRN CC[C@H]1CN(C(=O)NCc2cccnc2-n2ccnc2C)C[C@@H](C)O1 ZINC000078925115 217148440 /nfs/dbraw/zinc/14/84/40/217148440.db2.gz BISQMGHHGAXZPC-CJNGLKHVSA-N 0 0 343.431 2.285 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccccc1Br ZINC000079052099 217183388 /nfs/dbraw/zinc/18/33/88/217183388.db2.gz FUNJBWLCWQYJHT-UHFFFAOYSA-N 0 0 348.262 2.392 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000079349760 217212788 /nfs/dbraw/zinc/21/27/88/217212788.db2.gz LFNJRQHPKUHBAO-UHFFFAOYSA-N 0 0 347.356 2.411 40 0 EEABRN COc1ccc(F)cc1C[S@](=O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000079324447 217208500 /nfs/dbraw/zinc/20/85/00/217208500.db2.gz WXFGTKXBNPGIMK-QSIZCVBASA-N 0 0 341.326 2.150 40 0 EEABRN CN1C[C@@H](NC(=O)/C=C/c2cc(Br)cs2)CCC1=O ZINC000080399956 217302225 /nfs/dbraw/zinc/30/22/25/217302225.db2.gz SIUWKNAYAYTARM-FSIBCCDJSA-N 0 0 343.246 2.261 40 0 EEABRN O=C(NCc1cccnc1)C1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000080990167 217347399 /nfs/dbraw/zinc/34/73/99/217347399.db2.gz PZSMPWPBJPJWJL-JWTNVVGKSA-N 0 0 341.455 2.373 40 0 EEABRN C[C@@H](CNC(=O)CCn1ccccc1=O)Oc1ccc(Cl)cc1 ZINC000081349573 217385664 /nfs/dbraw/zinc/38/56/64/217385664.db2.gz GGSSFDSHLANBLC-ZDUSSCGKSA-N 0 0 334.803 2.476 40 0 EEABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012086316 296273136 /nfs/dbraw/zinc/27/31/36/296273136.db2.gz GQZJXHGZSBLTAD-AZOIQLNYSA-N 0 0 334.379 2.010 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC000096055461 296276200 /nfs/dbraw/zinc/27/62/00/296276200.db2.gz TWVLVQMUUMNMNL-CWRNSKLLSA-N 0 0 328.368 2.373 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012239458 211328428 /nfs/dbraw/zinc/32/84/28/211328428.db2.gz RNUXUTGZWKRHPD-DGCLKSJQSA-N 0 0 339.399 2.001 40 0 EEABRN O=C(Cn1nc(-c2nccc3ccccc32)oc1=O)N1CCCCC1 ZINC000012154265 211309330 /nfs/dbraw/zinc/30/93/30/211309330.db2.gz JHFBTMXIUKFNOK-UHFFFAOYSA-N 0 0 338.367 2.064 40 0 EEABRN CC1CCC(NC(=O)CN2CCC(O)(c3ccccn3)CC2)CC1 ZINC000012221999 211323581 /nfs/dbraw/zinc/32/35/81/211323581.db2.gz GERUCENGERVFAW-UHFFFAOYSA-N 0 0 331.460 2.060 40 0 EEABRN CCOCc1nnc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)s1 ZINC000012202171 211321000 /nfs/dbraw/zinc/32/10/00/211321000.db2.gz IRKVKXXJWNDVBG-UHFFFAOYSA-N 0 0 348.428 2.284 40 0 EEABRN CCN(CC)C(=O)Cn1ncc2c3sc(C)cc3n(C)c2c1=O ZINC000012113493 211293435 /nfs/dbraw/zinc/29/34/35/211293435.db2.gz OBYANJKLJDKCDC-UHFFFAOYSA-N 0 0 332.429 2.127 40 0 EEABRN O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CCOCC1 ZINC000012089719 211289886 /nfs/dbraw/zinc/28/98/86/211289886.db2.gz FOHZGKLBHYEVDS-UHFFFAOYSA-N 0 0 327.306 2.304 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1ccccn1 ZINC000012088790 211289889 /nfs/dbraw/zinc/28/98/89/211289889.db2.gz SYUNBEUGYWHKSU-ZBFHGGJFSA-N 0 0 333.395 2.264 40 0 EEABRN O=C(c1ccncn1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257268718 284729284 /nfs/dbraw/zinc/72/92/84/284729284.db2.gz MMWOJHUEFDDTJM-INIZCTEOSA-N 0 0 348.406 2.356 40 0 EEABRN Cc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 ZINC000010449132 211174680 /nfs/dbraw/zinc/17/46/80/211174680.db2.gz DAJYZQYJVDPVHX-UHFFFAOYSA-N 0 0 344.436 2.350 40 0 EEABRN CCN(c1ccc(OCC(=O)NCCC(C)C)cc1)S(C)(=O)=O ZINC000010010044 211141143 /nfs/dbraw/zinc/14/11/43/211141143.db2.gz YIEJJYXZKUULJN-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN O=C(c1cscn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096158123 296298649 /nfs/dbraw/zinc/29/86/49/296298649.db2.gz BUHVBLMULODMHM-MRXNPFEDSA-N 0 0 329.429 2.066 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1F ZINC000096045371 218532270 /nfs/dbraw/zinc/53/22/70/218532270.db2.gz CXJMNHCCTXSVNX-INIZCTEOSA-N 0 0 344.390 2.213 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2=O)cs1 ZINC000096159455 218634288 /nfs/dbraw/zinc/63/42/88/218634288.db2.gz MTWGAFIGYDPSPL-KRWDZBQOSA-N 0 0 345.424 2.309 40 0 EEABRN CCc1cnc(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1 ZINC000096184203 218647852 /nfs/dbraw/zinc/64/78/52/218647852.db2.gz VQKUHHFZHMQHMH-DLBZAZTESA-N 0 0 337.427 2.122 40 0 EEABRN CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006358262 210623088 /nfs/dbraw/zinc/62/30/88/210623088.db2.gz YTBGRINYZKBLQQ-NSHDSACASA-N 0 0 332.853 2.265 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CC12CCOCC2 ZINC000096240762 218713365 /nfs/dbraw/zinc/71/33/65/218713365.db2.gz ZCUUFGJJJZNQDQ-MRXNPFEDSA-N 0 0 345.443 2.472 40 0 EEABRN O=C(CCCc1nc(C2CC2)no1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000096416909 218778626 /nfs/dbraw/zinc/77/86/26/218778626.db2.gz SEXMPKHUDPJLTF-CQSZACIVSA-N 0 0 345.403 2.284 40 0 EEABRN CCc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)o1 ZINC000096417178 218778671 /nfs/dbraw/zinc/77/86/71/218778671.db2.gz BRNRGWLBSKMTQG-GFCCVEGCSA-N 0 0 326.352 2.300 40 0 EEABRN C[C@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000096425760 218795087 /nfs/dbraw/zinc/79/50/87/218795087.db2.gz BIBSXISHOUIJCI-SECBINFHSA-N 0 0 341.326 2.150 40 0 EEABRN Cc1sc(=O)n(CCC(=O)N[C@H](C)CCc2cccn2C)c1C ZINC000096425734 218794691 /nfs/dbraw/zinc/79/46/91/218794691.db2.gz DUVZMVNIYFXRPC-GFCCVEGCSA-N 0 0 335.473 2.393 40 0 EEABRN COCC[C@@H](C)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000096427876 218800678 /nfs/dbraw/zinc/80/06/78/218800678.db2.gz SYKVDSIVIHOZBP-SSDOTTSWSA-N 0 0 327.233 2.279 40 0 EEABRN CCO[C@H]1C[C@H](Nc2cc(COC)nc3ncnn32)C12CCCC2 ZINC000096429823 218803017 /nfs/dbraw/zinc/80/30/17/218803017.db2.gz YOLQTXXGWQFJFI-KBPBESRZSA-N 0 0 331.420 2.420 40 0 EEABRN COCCc1nnc(SCc2ncc(-c3cccs3)o2)n1N ZINC000096430391 218803400 /nfs/dbraw/zinc/80/34/00/218803400.db2.gz BWVIKZVLPLFVDQ-UHFFFAOYSA-N 0 0 337.430 2.190 40 0 EEABRN C[C@H](NC(=O)CCN1CCCC1=O)c1cccc(-n2cccn2)c1 ZINC000096443810 218825570 /nfs/dbraw/zinc/82/55/70/218825570.db2.gz AWFSLJLUMAYHLQ-AWEZNQCLSA-N 0 0 326.400 2.062 40 0 EEABRN CC(C)(C)[S@](=O)CCNC(=O)N1CCN(c2cccs2)CC1 ZINC000096462959 218845253 /nfs/dbraw/zinc/84/52/53/218845253.db2.gz HIVICMRIWOLZSK-QFIPXVFZSA-N 0 0 343.518 2.127 40 0 EEABRN CC[C@](Br)([C@@H](O)c1ccccc1F)S(C)(=O)=O ZINC000096521541 218882705 /nfs/dbraw/zinc/88/27/05/218882705.db2.gz YWRCFEAOWPJHQX-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN CCn1nc(C(=O)OCc2ccc(-n3cccn3)cc2C)ccc1=O ZINC000096502154 218878131 /nfs/dbraw/zinc/87/81/31/218878131.db2.gz IWJTYXKYNLOLFO-UHFFFAOYSA-N 0 0 338.367 2.114 40 0 EEABRN CCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000004992845 210352208 /nfs/dbraw/zinc/35/22/08/210352208.db2.gz SLQWAEOGKCZJAF-LBPRGKRZSA-N 0 0 336.775 2.252 40 0 EEABRN CC[C@]1(c2cnn(C)c2)NC(=O)N(CCCc2cccc(F)c2)C1=O ZINC000097233443 219001464 /nfs/dbraw/zinc/00/14/64/219001464.db2.gz FONZGHGBGRCEGE-GOSISDBHSA-N 0 0 344.390 2.349 40 0 EEABRN COc1cccc([C@@H](C)N2CCN(C[C@H](O)C(F)(F)F)CC2)c1 ZINC000097378018 219018760 /nfs/dbraw/zinc/01/87/60/219018760.db2.gz AJWHNYKWXSICFR-DOMZBBRYSA-N 0 0 332.366 2.297 40 0 EEABRN Cc1nc(CNC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)no1 ZINC000097378497 219019663 /nfs/dbraw/zinc/01/96/63/219019663.db2.gz QIMZJZSFHGBUKP-NSHDSACASA-N 0 0 335.433 2.028 40 0 EEABRN O=C1N[C@@H](c2cc(Br)cc3c2OCC3)N2CCCC[C@@H]12 ZINC000097378385 296387700 /nfs/dbraw/zinc/38/77/00/296387700.db2.gz JXROPFQAAAPSBZ-GXTWGEPZSA-N 0 0 337.217 2.367 40 0 EEABRN COc1ccccc1N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O ZINC000113968002 220618289 /nfs/dbraw/zinc/61/82/89/220618289.db2.gz UBPFGGKBQDMPER-UHFFFAOYSA-N 0 0 342.461 2.156 40 0 EEABRN CCN(CC)C(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408558850 257897144 /nfs/dbraw/zinc/89/71/44/257897144.db2.gz SQYJOEAIIGQMNW-NSHDSACASA-N 0 0 332.853 2.363 40 0 EEABRN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008057733 257911777 /nfs/dbraw/zinc/91/17/77/257911777.db2.gz DLQWDBOAAUDCFS-UHFFFAOYSA-N 0 0 334.441 2.375 40 0 EEABRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cnn(C)c1C ZINC000271799839 257996733 /nfs/dbraw/zinc/99/67/33/257996733.db2.gz HTPPKQXFTCVBIP-ZBEGNZNMSA-N 0 0 334.395 2.443 40 0 EEABRN COc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000171823551 533482743 /nfs/dbraw/zinc/48/27/43/533482743.db2.gz MJYSXYKDWKDBFY-UHFFFAOYSA-N 0 0 329.375 2.187 40 0 EEABRN c1cnc(N2CCC3(CC[C@H](Cc4cnccn4)OC3)CC2)nc1 ZINC000257320356 285543669 /nfs/dbraw/zinc/54/36/69/285543669.db2.gz VWLKYXVXVXENQU-MRXNPFEDSA-N 0 0 325.416 2.275 40 0 EEABRN CC[C@@H](C(=O)N(CC)CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712967 286726854 /nfs/dbraw/zinc/72/68/54/286726854.db2.gz OFHMCLJDEAFARG-HNNXBMFYSA-N 0 0 326.462 2.408 40 0 EEABRN O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1CCCc2nccn21 ZINC000368278576 166081166 /nfs/dbraw/zinc/08/11/66/166081166.db2.gz HGBQFHVEQXHHDU-CQSZACIVSA-N 0 0 326.335 2.119 40 0 EEABRN Cc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(=O)n1C ZINC000279051718 269258913 /nfs/dbraw/zinc/25/89/13/269258913.db2.gz PJCYKTOWFKMXDK-GFCCVEGCSA-N 0 0 331.338 2.178 40 0 EEABRN O=C(c1cscn1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000247873037 275015927 /nfs/dbraw/zinc/01/59/27/275015927.db2.gz RPLGUOAWFSWCCG-OAHLLOKOSA-N 0 0 340.408 2.443 40 0 EEABRN COc1ccc2c(c1)CN(C(=O)NC(C)C)CC[C@H]1COC(=O)N21 ZINC000225491134 277436763 /nfs/dbraw/zinc/43/67/63/277436763.db2.gz NPEXGCZIFBHDRN-ZDUSSCGKSA-N 0 0 333.388 2.344 40 0 biogenic,in-vitro EEABRN COc1ncnc2c1CCN(C(=O)c1cnc3ccccc3c1)CC2 ZINC000096084053 278098859 /nfs/dbraw/zinc/09/88/59/278098859.db2.gz UJOAVHZNMCTCBJ-UHFFFAOYSA-N 0 0 334.379 2.274 40 0 EEABRN CC(C)C(=O)N1c2ccccc2C(=O)N[C@]12c1ccccc1N(C)C2=O ZINC000014162533 278686509 /nfs/dbraw/zinc/68/65/09/278686509.db2.gz VOWSJZQIBJIKCZ-HXUWFJFHSA-N 0 0 349.390 2.248 40 0 EEABRN CC(C)NC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096078102 279580726 /nfs/dbraw/zinc/58/07/26/279580726.db2.gz VJBISSBZCNMIQQ-HNNXBMFYSA-N 0 0 339.390 2.132 40 0 EEABRN CCO[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000193629313 279763798 /nfs/dbraw/zinc/76/37/98/279763798.db2.gz SODHCZQZZCFIBM-CABCVRRESA-N 0 0 329.404 2.190 40 0 EEABRN CN1c2ccccc2[C@]2(NC(=N)N=C3Sc4ccccc4N32)C1=O ZINC000017070612 290322159 /nfs/dbraw/zinc/32/21/59/290322159.db2.gz USQWZGWVCUSVPL-QGZVFWFLSA-N 0 0 335.392 2.112 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)cn2)cs1 ZINC000096092201 293261629 /nfs/dbraw/zinc/26/16/29/293261629.db2.gz NEBOEYLMAOWARY-ZIAGYGMSSA-N 0 0 347.419 2.151 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000253395076 295346897 /nfs/dbraw/zinc/34/68/97/295346897.db2.gz IZJUGQSZFZKQRW-VXGBXAGGSA-N 0 0 330.812 2.408 40 0 EEABRN O=C(c1ccnnc1)N1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040310 304584554 /nfs/dbraw/zinc/58/45/54/304584554.db2.gz LUQQQNADYDLEEF-IEBWSBKVSA-N 0 0 345.443 2.305 40 0 EEABRN c1cnn(-c2cncc(N3CCC(c4noc(C5CC5)n4)CC3)n2)c1 ZINC000329755762 311699708 /nfs/dbraw/zinc/69/97/08/311699708.db2.gz YGSOJYNNNSQIEB-UHFFFAOYSA-N 0 0 337.387 2.307 40 0 EEABRN C[C@H]1OCC[C@@]1(C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000332854671 312062497 /nfs/dbraw/zinc/06/24/97/312062497.db2.gz CDBWEDYKNLBLRW-AUUYWEPGSA-N 0 0 345.443 2.158 40 0 EEABRN Cc1nsc(N2CCCN(c3ccnc4c3c(C)nn4C)CC2)n1 ZINC000515230065 316472913 /nfs/dbraw/zinc/47/29/13/316472913.db2.gz MJJHCWONINKWKU-UHFFFAOYSA-N 0 0 343.460 2.153 40 0 EEABRN O=C(NCc1ccc[nH]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000097373285 323322120 /nfs/dbraw/zinc/32/21/20/323322120.db2.gz BNFWTFLOQDNAIE-BPUTZDHNSA-N 0 0 325.416 2.259 40 0 EEABRN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583482008 324670986 /nfs/dbraw/zinc/67/09/86/324670986.db2.gz JNGUUKCWJNQPFJ-BRWVUGGUSA-N 0 0 340.427 2.097 40 0 EEABRN O=S(=O)(c1cc(Br)ccc1F)N1CCSCC1 ZINC000060321311 462540988 /nfs/dbraw/zinc/54/09/88/462540988.db2.gz OYECLFQYVAQHHS-UHFFFAOYSA-N 0 0 340.239 2.326 40 0 EEABRN CC(C)(C)OC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000298267463 465350939 /nfs/dbraw/zinc/35/09/39/465350939.db2.gz GKPFWITYWQXUCL-UHFFFAOYSA-N 0 0 326.418 2.498 40 0 EEABRN Cn1ccnc1SCc1ccc(C(=O)NO[C@@H]2CCCCO2)o1 ZINC000060333163 462541761 /nfs/dbraw/zinc/54/17/61/462541761.db2.gz VRGKIVOYTQBABU-CYBMUJFWSA-N 0 0 337.401 2.493 40 0 EEABRN O=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085436786 462548004 /nfs/dbraw/zinc/54/80/04/462548004.db2.gz CINYXOYXJPQEQO-NSHDSACASA-N 0 0 340.832 2.486 40 0 EEABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NCc1ccco1)C2 ZINC000085473817 462550300 /nfs/dbraw/zinc/55/03/00/462550300.db2.gz ANKBSKVNEZWSCX-LLVKDONJSA-N 0 0 347.440 2.172 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1cc(F)ccc1F)CS2 ZINC000085473708 462550672 /nfs/dbraw/zinc/55/06/72/462550672.db2.gz OMNCQMQDFRSGRX-SECBINFHSA-N 0 0 337.351 2.191 40 0 EEABRN Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000000380053 462558041 /nfs/dbraw/zinc/55/80/41/462558041.db2.gz AREPTSUZWRJKKB-UHFFFAOYSA-N 0 0 344.864 2.427 40 0 EEABRN COc1cccc(OC)c1NC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000001357841 462579855 /nfs/dbraw/zinc/57/98/55/462579855.db2.gz ZIVDKERDRPLSHH-CYBMUJFWSA-N 0 0 342.399 2.349 40 0 EEABRN COc1ccc(C[C@]2(C(=O)[O-])[NH2+]CCc3cc(O)c(OC)cc32)cc1 ZINC000001559566 462583502 /nfs/dbraw/zinc/58/35/02/462583502.db2.gz RRRYQGHGFZBULN-IBGZPJMESA-N 0 0 343.379 2.078 40 0 EEABRN O=S(=O)(Cc1ccccc1Cl)N[C@H](CO)Cc1ccccc1 ZINC000074605101 462617033 /nfs/dbraw/zinc/61/70/33/462617033.db2.gz UAKCTJXBFBQNDH-HNNXBMFYSA-N 0 0 339.844 2.363 40 0 EEABRN COC(=O)C1CCN(C(=O)NC[C@H](C)Oc2ccccc2F)CC1 ZINC000074795212 462635896 /nfs/dbraw/zinc/63/58/96/462635896.db2.gz ARQRWWMNYPMVDB-LBPRGKRZSA-N 0 0 338.379 2.188 40 0 EEABRN Fc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c(F)c1 ZINC000005943912 462672813 /nfs/dbraw/zinc/67/28/13/462672813.db2.gz GRISSRBDWXVGRN-UHFFFAOYSA-N 0 0 327.722 2.383 40 0 EEABRN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000006183339 462679718 /nfs/dbraw/zinc/67/97/18/462679718.db2.gz WAHHDCJUHSCDOG-BLTAXRJOSA-N 0 0 334.169 2.282 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000006282039 462681064 /nfs/dbraw/zinc/68/10/64/462681064.db2.gz UTRYLKHBFDGONP-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN CC(C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000006327632 462683158 /nfs/dbraw/zinc/68/31/58/462683158.db2.gz IMRJEKLJZVAVEG-UHFFFAOYSA-N 0 0 326.462 2.221 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)C(=O)NCCCOC(C)C ZINC000006328093 462683097 /nfs/dbraw/zinc/68/30/97/462683097.db2.gz POXDRCHQFFLRMO-UHFFFAOYSA-N 0 0 328.796 2.218 40 0 EEABRN CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O ZINC000006879683 462710608 /nfs/dbraw/zinc/71/06/08/462710608.db2.gz AUTGOYBMDYTGDX-LCYFTJDESA-N 0 0 334.397 2.258 40 0 EEABRN CCN1C(=O)S[C@H](Cc2cc(OC)c(OC)c(OC)c2)C1=O ZINC000006952855 462714379 /nfs/dbraw/zinc/71/43/79/462714379.db2.gz JZIXAXZLFDGDHN-GFCCVEGCSA-N 0 0 325.386 2.339 40 0 EEABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000047329396 462769920 /nfs/dbraw/zinc/76/99/20/462769920.db2.gz WMQLAABWMTZZDF-UHFFFAOYSA-N 0 0 334.397 2.164 40 0 EEABRN CCc1ccccc1N1C(=O)C[C@@H](N2CCCC[C@@H]2CCO)C1=O ZINC000008559472 462787913 /nfs/dbraw/zinc/78/79/13/462787913.db2.gz RQJXGTSSYZVUCD-NVXWUHKLSA-N 0 0 330.428 2.118 40 0 EEABRN Nc1nccnc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000091155015 462842233 /nfs/dbraw/zinc/84/22/33/462842233.db2.gz QIWGSPTWQZCQKY-YPMHNXCESA-N 0 0 336.754 2.111 40 0 EEABRN COc1ccc(CN(Cc2cnc(N)nc2)C[C@@H]2CCCO2)cc1 ZINC000012187536 462846874 /nfs/dbraw/zinc/84/68/74/462846874.db2.gz FDZBPINPRJVQOJ-KRWDZBQOSA-N 0 0 328.416 2.249 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715070 462901382 /nfs/dbraw/zinc/90/13/82/462901382.db2.gz NQXVJGDPDRBOAT-BXUZGUMPSA-N 0 0 330.425 2.285 40 0 EEABRN Cc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)on1 ZINC000077122702 462941005 /nfs/dbraw/zinc/94/10/05/462941005.db2.gz XCWSVJHVAJECAA-GFCCVEGCSA-N 0 0 347.802 2.348 40 0 EEABRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016293251 462973589 /nfs/dbraw/zinc/97/35/89/462973589.db2.gz SJIMHSXQUQHDDR-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 ZINC000016638840 462985627 /nfs/dbraw/zinc/98/56/27/462985627.db2.gz LXNMROSUHNKARG-UHFFFAOYSA-N 0 0 342.461 2.012 40 0 EEABRN c1c2c(cc3nc4c(cc13)CN(C[C@H]1CCCO1)CCO4)OCO2 ZINC000019292532 463015632 /nfs/dbraw/zinc/01/56/32/463015632.db2.gz MERINQOTBCLHKZ-CQSZACIVSA-N 0 0 328.368 2.337 40 0 EEABRN COCC(=O)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693095 463019274 /nfs/dbraw/zinc/01/92/74/463019274.db2.gz OBIPMSGNTIUSPE-AWEZNQCLSA-N 0 0 347.802 2.343 40 0 EEABRN CCC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000019701565 463021072 /nfs/dbraw/zinc/02/10/72/463021072.db2.gz XWBDRBBFWWICAH-LBPRGKRZSA-N 0 0 330.363 2.034 40 0 EEABRN CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000077747708 463036011 /nfs/dbraw/zinc/03/60/11/463036011.db2.gz ZAMVVJQMNOTDPE-ZFWWWQNUSA-N 0 0 333.432 2.282 40 0 EEABRN CCn1cc(NC(=O)C(=O)N2CCCC3(CCCCC3)C2)ccc1=O ZINC000077764257 463040309 /nfs/dbraw/zinc/04/03/09/463040309.db2.gz WATMQDAVWRJNEG-UHFFFAOYSA-N 0 0 345.443 2.380 40 0 EEABRN NC(=O)Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000024488101 463088266 /nfs/dbraw/zinc/08/82/66/463088266.db2.gz XWUAUDXWEQKLSN-UHFFFAOYSA-N 0 0 334.379 2.212 40 0 EEABRN CCOc1cc([C@H](N)c2n[nH]c(-c3ccncc3)n2)ccc1OC ZINC000095534356 463107370 /nfs/dbraw/zinc/10/73/70/463107370.db2.gz HZBOCWAWNKSXTC-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C ZINC000025587340 463130487 /nfs/dbraw/zinc/13/04/87/463130487.db2.gz HWXNZCYKRRCLCV-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@H]3CO)c2c1C ZINC000078679865 463140593 /nfs/dbraw/zinc/14/05/93/463140593.db2.gz MVVDQWYWRLFSPZ-LLVKDONJSA-N 0 0 335.429 2.446 40 0 EEABRN CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044598 463148577 /nfs/dbraw/zinc/14/85/77/463148577.db2.gz QTBHWTIUJXPZRR-AWEZNQCLSA-N 0 0 329.400 2.285 40 0 EEABRN CCOC[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096044840 463148958 /nfs/dbraw/zinc/14/89/58/463148958.db2.gz IWMJKMNQCKSJJP-ZDUSSCGKSA-N 0 0 347.390 2.101 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccc(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096045589 463149837 /nfs/dbraw/zinc/14/98/37/463149837.db2.gz CFHNSNNHRHHIHI-MRXNPFEDSA-N 0 0 340.427 2.383 40 0 EEABRN O=C(c1ccccn1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050745 463154831 /nfs/dbraw/zinc/15/48/31/463154831.db2.gz ZWGRUFIROMBUOB-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN O=C(c1ccco1)N1CCc2ccc(=O)n(Cc3cccnc3)c2CC1 ZINC000096067786 463163919 /nfs/dbraw/zinc/16/39/19/463163919.db2.gz SACNNEFHTKSRLG-UHFFFAOYSA-N 0 0 349.390 2.126 40 0 EEABRN O=C(CC1CC1)N[C@@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1 ZINC000096067704 463164864 /nfs/dbraw/zinc/16/48/64/463164864.db2.gz JGRLUPQEMYZTAU-QGZVFWFLSA-N 0 0 337.423 2.065 40 0 EEABRN COc1cc(OC)cc(C(=O)Nc2c(C)nc(N(C)C)nc2C)c1 ZINC000096098513 463171686 /nfs/dbraw/zinc/17/16/86/463171686.db2.gz RPYAQERDHQNTIB-UHFFFAOYSA-N 0 0 330.388 2.429 40 0 EEABRN COc1c(C)cc(S(=O)(=O)NC[C@@]2(OC)CCSC2)cc1C ZINC000096097686 463171740 /nfs/dbraw/zinc/17/17/40/463171740.db2.gz YFAQTVQRYOTTHF-HNNXBMFYSA-N 0 0 345.486 2.112 40 0 EEABRN O=C(c1ccncn1)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 ZINC000096109201 463178743 /nfs/dbraw/zinc/17/87/43/463178743.db2.gz MTTOKCUAWNATQT-APWZRJJASA-N 0 0 345.443 2.162 40 0 EEABRN O=C(c1cccs1)N1CCOC2(CCN(c3ncccn3)CC2)C1 ZINC000096158929 463190834 /nfs/dbraw/zinc/19/08/34/463190834.db2.gz WBFOWNIEPHOGGF-UHFFFAOYSA-N 0 0 344.440 2.050 40 0 EEABRN COC(=O)c1cnn(-c2ccccc2C(=O)OC)c1C(F)(F)F ZINC000096171821 463193590 /nfs/dbraw/zinc/19/35/90/463193590.db2.gz SBOIYYKJAJFJSZ-UHFFFAOYSA-N 0 0 328.246 2.464 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC000096188153 463199917 /nfs/dbraw/zinc/19/99/17/463199917.db2.gz KMBDJQQENFSZQA-MRXNPFEDSA-N 0 0 340.427 2.253 40 0 EEABRN COc1ccccc1C1=NO[C@](C)(C(=O)Nc2cnn(C)c2C)C1 ZINC000096193064 463201158 /nfs/dbraw/zinc/20/11/58/463201158.db2.gz DVGNEEGQWRMYFP-KRWDZBQOSA-N 0 0 328.372 2.259 40 0 EEABRN Cc1nc(CN2CCN([C@@H]3CCOC3)Cc3cccnc32)cs1 ZINC000096198958 463204321 /nfs/dbraw/zinc/20/43/21/463204321.db2.gz ORHPNZUMCUOZNV-MRXNPFEDSA-N 0 0 330.457 2.458 40 0 EEABRN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2ccco2)cn1 ZINC000096200260 463205497 /nfs/dbraw/zinc/20/54/97/463205497.db2.gz RZYVFCGIGKSQMI-JKSUJKDBSA-N 0 0 329.400 2.266 40 0 EEABRN CCOC[C@]12COC[C@H]1CN(C(=O)c1cc(OC)ccc1Cl)C2 ZINC000096205866 463208181 /nfs/dbraw/zinc/20/81/81/463208181.db2.gz NYUAGXRJQIUIAV-SJKOYZFVSA-N 0 0 339.819 2.474 40 0 EEABRN O=C(COc1cccc(C(F)(F)F)c1)NCCCn1ccnc1 ZINC000027935591 463209542 /nfs/dbraw/zinc/20/95/42/463209542.db2.gz BNNKMOJDRZVTFO-UHFFFAOYSA-N 0 0 327.306 2.487 40 0 EEABRN Cc1nnc(N2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096220203 463218128 /nfs/dbraw/zinc/21/81/28/463218128.db2.gz HVHIHOIKIJPSQK-CQSZACIVSA-N 0 0 332.429 2.448 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096220069 463218170 /nfs/dbraw/zinc/21/81/70/463218170.db2.gz GYJRNLOVAQZMNH-VQIMIIECSA-N 0 0 339.395 2.238 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224488 463219732 /nfs/dbraw/zinc/21/97/32/463219732.db2.gz NHHLCROQAOKAHB-BEFAXECRSA-N 0 0 328.412 2.069 40 0 EEABRN Fc1cccc(N2CCC[C@]3(C2)CN(c2cnccn2)CCO3)c1 ZINC000096226271 463221215 /nfs/dbraw/zinc/22/12/15/463221215.db2.gz RMVYIKUDELBINB-SFHVURJKSA-N 0 0 328.391 2.492 40 0 EEABRN Cc1cccc(CN2C(=O)CCC23CCN(c2ncccn2)CC3)n1 ZINC000096228305 463221750 /nfs/dbraw/zinc/22/17/50/463221750.db2.gz HIUDWKUGUDAZMQ-UHFFFAOYSA-N 0 0 337.427 2.342 40 0 EEABRN O=C(C1CCC1)N1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244122 463225898 /nfs/dbraw/zinc/22/58/98/463225898.db2.gz DQZGKUPUJGWKLD-LJQANCHMSA-N 0 0 342.443 2.099 40 0 EEABRN Cn1cc(-c2ncnc3c2CCN(C(=O)c2ccsc2)CC3)cn1 ZINC000096255205 463228792 /nfs/dbraw/zinc/22/87/92/463228792.db2.gz QXFUEDOIUHSNOB-UHFFFAOYSA-N 0 0 339.424 2.180 40 0 EEABRN O=C1CCCN1Cc1ncn2c1CN(Cc1cccs1)CCC2 ZINC000096259369 463230588 /nfs/dbraw/zinc/23/05/88/463230588.db2.gz YLSGMWUCELTYHF-UHFFFAOYSA-N 0 0 330.457 2.473 40 0 EEABRN CCC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]32)N1 ZINC000096261562 463231112 /nfs/dbraw/zinc/23/11/12/463231112.db2.gz LEPTVFLABVYZJC-CDNVCLAFSA-N 0 0 344.390 2.377 40 0 EEABRN CC(C)(C)OC(=O)NCC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000096402381 463238129 /nfs/dbraw/zinc/23/81/29/463238129.db2.gz WFQUKUUJTYXIIK-UHFFFAOYSA-N 0 0 344.415 2.072 40 0 EEABRN O=C(CCc1ccncc1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000096402797 463238252 /nfs/dbraw/zinc/23/82/52/463238252.db2.gz OLDHQDRDVIKTNB-SFHVURJKSA-N 0 0 337.423 2.020 40 0 EEABRN Cc1nn(C)c(Cl)c1C(=O)OCCN(C)C(=O)OC(C)(C)C ZINC000096404877 463239055 /nfs/dbraw/zinc/23/90/55/463239055.db2.gz VJDJDGJPYLWWBH-UHFFFAOYSA-N 0 0 331.800 2.406 40 0 EEABRN NS(=O)(=O)NCCCCSc1ccccc1Br ZINC000096406706 463240243 /nfs/dbraw/zinc/24/02/43/463240243.db2.gz ZISCWXPLNYTQSC-UHFFFAOYSA-N 0 0 339.280 2.115 40 0 EEABRN Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3ccnc3)c2)nc1 ZINC000096409871 463242332 /nfs/dbraw/zinc/24/23/32/463242332.db2.gz BGQRXQBRLYSUPL-UHFFFAOYSA-N 0 0 349.394 2.286 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)Nc1sccc1S(C)(=O)=O ZINC000096411628 463244322 /nfs/dbraw/zinc/24/43/22/463244322.db2.gz PGNQQJIHUDJFAH-UHFFFAOYSA-N 0 0 341.458 2.073 40 0 EEABRN O=C(N[C@@H]1CCCc2sccc21)N1CCN(c2cnccn2)CC1 ZINC000136616412 463247827 /nfs/dbraw/zinc/24/78/27/463247827.db2.gz COLCRRMPOZRJNL-CQSZACIVSA-N 0 0 343.456 2.447 40 0 EEABRN CN(C)c1ccccc1NC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415795 463248514 /nfs/dbraw/zinc/24/85/14/463248514.db2.gz BPTXQSKIRWNNMD-SNVBAGLBSA-N 0 0 344.337 2.037 40 0 EEABRN Nn1c(SCc2ccnc(Cl)c2)nnc1C1CCOCC1 ZINC000096430271 463259169 /nfs/dbraw/zinc/25/91/69/463259169.db2.gz GJHYHBTXJHEXAO-UHFFFAOYSA-N 0 0 325.825 2.227 40 0 EEABRN Cc1ccc2c(c1)N(C(=O)c1ccc(C[C@@H]3CC(=O)NC3=O)cc1)CC2 ZINC000096436261 463263774 /nfs/dbraw/zinc/26/37/74/463263774.db2.gz UFWRKBJWOBBRKI-QGZVFWFLSA-N 0 0 348.402 2.403 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)NC[C@](C)(O)c2cc(C)oc2C)n1 ZINC000096439311 463265823 /nfs/dbraw/zinc/26/58/23/463265823.db2.gz DSVOOCCGDUQGOQ-SGTLLEGYSA-N 0 0 348.447 2.305 40 0 EEABRN Cc1noc(C)c1CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000096444521 463269603 /nfs/dbraw/zinc/26/96/03/463269603.db2.gz LZXSCVLXUQKAGP-CQSZACIVSA-N 0 0 348.447 2.272 40 0 EEABRN O=C(NCCn1cccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096449876 463271994 /nfs/dbraw/zinc/27/19/94/463271994.db2.gz DZZAMJVDOLOYJS-UHFFFAOYSA-N 0 0 325.412 2.157 40 0 EEABRN COC(=O)c1ccc(N2CCC(N(C)c3ccccc3)CC2)nn1 ZINC000096453762 463274106 /nfs/dbraw/zinc/27/41/06/463274106.db2.gz DMEFRPJYHDJLQN-UHFFFAOYSA-N 0 0 326.400 2.368 40 0 EEABRN COC(=O)C1(NC(=O)CCc2nc3c(cccc3C)[nH]2)CCCC1 ZINC000096455590 463275337 /nfs/dbraw/zinc/27/53/37/463275337.db2.gz ONMNLBKIBUZGIC-UHFFFAOYSA-N 0 0 329.400 2.406 40 0 EEABRN Cn1ncc(N2CCC(COc3ccccn3)CC2)c(Cl)c1=O ZINC000096461256 463277100 /nfs/dbraw/zinc/27/71/00/463277100.db2.gz VIVFVIWZUCXLPT-UHFFFAOYSA-N 0 0 334.807 2.124 40 0 EEABRN O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccncc2Cl)CC1 ZINC000096484462 463282549 /nfs/dbraw/zinc/28/25/49/463282549.db2.gz DYUXXHWHKHFXDU-UHFFFAOYSA-N 0 0 345.834 2.299 40 0 EEABRN CC[C@H](C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccccc2C)c1 ZINC000096483518 463282684 /nfs/dbraw/zinc/28/26/84/463282684.db2.gz AXKMBZDNOQKBKW-DZGCQCFKSA-N 0 0 337.445 2.174 40 0 EEABRN O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O ZINC000096483446 463282870 /nfs/dbraw/zinc/28/28/70/463282870.db2.gz RONFSHSEBLJEMU-QWHCGFSZSA-N 0 0 348.262 2.172 40 0 EEABRN O=C(NCCNc1ncnc2ccccc21)[C@H]1OCCc2ccccc21 ZINC000096483416 463282882 /nfs/dbraw/zinc/28/28/82/463282882.db2.gz GMGAGMSLPNKFHW-SFHVURJKSA-N 0 0 348.406 2.472 40 0 EEABRN C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CN(C)CCO1 ZINC000096485917 463283834 /nfs/dbraw/zinc/28/38/34/463283834.db2.gz HCGYXNCIENVKEV-IAQYHMDHSA-N 0 0 343.830 2.340 40 0 EEABRN CCc1ncnc(N2CCN(c3nncc4ccccc43)CC2)c1F ZINC000096489054 463285030 /nfs/dbraw/zinc/28/50/30/463285030.db2.gz XCESWAMKEDJDDG-UHFFFAOYSA-N 0 0 338.390 2.448 40 0 EEABRN O=S(=O)(N(C[C@@H](O)c1ccc(F)cc1)C1CC1)N1CCCCC1 ZINC000096492605 463287972 /nfs/dbraw/zinc/28/79/72/463287972.db2.gz IIJDWGKFVGZZLJ-MRXNPFEDSA-N 0 0 342.436 2.054 40 0 EEABRN O=c1c2ccncc2ncn1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000096500463 463290611 /nfs/dbraw/zinc/29/06/11/463290611.db2.gz MKGJBLPJFNLFJA-GFCCVEGCSA-N 0 0 349.312 2.414 40 0 EEABRN Cc1noc(CCNC(=O)N2CCN([C@H](C)c3ccsc3)CC2)n1 ZINC000096503143 463292317 /nfs/dbraw/zinc/29/23/17/463292317.db2.gz KEQIUPFHMOTFPA-GFCCVEGCSA-N 0 0 349.460 2.070 40 0 EEABRN Cc1c(N[C@@H](C)C(=O)N2CCNC2=O)cnn1-c1cccc(Cl)c1 ZINC000097102912 463324058 /nfs/dbraw/zinc/32/40/58/463324058.db2.gz AUEHLVOHPBRKCT-JTQLQIEISA-N 0 0 347.806 2.186 40 0 EEABRN CC(C)(C)Oc1ccc(C(=O)N2CCC(n3ccnn3)CC2)cn1 ZINC000097233126 463351623 /nfs/dbraw/zinc/35/16/23/463351623.db2.gz MCJWCKYDZBCPJM-UHFFFAOYSA-N 0 0 329.404 2.328 40 0 EEABRN CCC[C@@H]1C[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000097236684 463352221 /nfs/dbraw/zinc/35/22/21/463352221.db2.gz SAGMDTGXELHOHJ-IAGOWNOFSA-N 0 0 349.475 2.177 40 0 EEABRN Cn1nccc1C(=O)N[C@H]1CCCc2nc(-c3ccccn3)ncc21 ZINC000071195762 463411850 /nfs/dbraw/zinc/41/18/50/463411850.db2.gz ZOQAOBMKBJORJI-AWEZNQCLSA-N 0 0 334.383 2.080 40 0 EEABRN COC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 ZINC000057327015 463479060 /nfs/dbraw/zinc/47/90/60/463479060.db2.gz KGVOOTCIEYSXAB-LBPRGKRZSA-N 0 0 337.335 2.416 40 0 EEABRN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCCc2ccncc2C)C1 ZINC000162048973 463480185 /nfs/dbraw/zinc/48/01/85/463480185.db2.gz GUTHPPOHBBWBNC-KXNSMUHISA-N 0 0 337.489 2.312 40 0 EEABRN COC(=O)c1ccc2[nH]c(C)c(I)c(=O)c2c1 ZINC000072207195 463481915 /nfs/dbraw/zinc/48/19/15/463481915.db2.gz WFWTZIBGCZYTDW-UHFFFAOYSA-N 0 0 343.120 2.228 40 0 EEABRN COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000072227730 463484393 /nfs/dbraw/zinc/48/43/93/463484393.db2.gz OJUTVOBEXONIMX-DLBZAZTESA-N 0 0 328.368 2.128 40 0 EEABRN CNC(=O)c1cccc(Nc2ncnc3c2cnn3-c2ccccn2)c1 ZINC000041529395 463493158 /nfs/dbraw/zinc/49/31/58/463493158.db2.gz ZDNODNCOSICPMO-UHFFFAOYSA-N 0 0 345.366 2.314 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)Cc2n[nH]c3ccccc23)c(C)o1 ZINC000081817885 463496840 /nfs/dbraw/zinc/49/68/40/463496840.db2.gz BHGIXEAVHCWBLE-SFHVURJKSA-N 0 0 327.384 2.339 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)[C@]1(C)CCCO1 ZINC000072337475 463509379 /nfs/dbraw/zinc/50/93/79/463509379.db2.gz VZASMRGQBXTVRV-WRSAYESZSA-N 0 0 326.400 2.195 40 0 EEABRN CN(C)C(=O)CN1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072354792 463509671 /nfs/dbraw/zinc/50/96/71/463509671.db2.gz LKFPMJYJTGGERL-OAHLLOKOSA-N 0 0 343.406 2.090 40 0 EEABRN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000084069914 463575327 /nfs/dbraw/zinc/57/53/27/463575327.db2.gz PMGKMGZQEPPJML-DGCLKSJQSA-N 0 0 334.372 2.044 40 0 EEABRN Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000042646221 463582837 /nfs/dbraw/zinc/58/28/37/463582837.db2.gz KFDGBIBJRYMOJY-UHFFFAOYSA-N 0 0 330.315 2.118 40 0 EEABRN O=C(NCCSc1ccccc1)c1cccnc1-n1cncn1 ZINC000042654872 463583701 /nfs/dbraw/zinc/58/37/01/463583701.db2.gz OVUZPBQVUKVFMA-UHFFFAOYSA-N 0 0 325.397 2.184 40 0 EEABRN O=C([C@H]1CCS(=O)(=O)C1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084209345 463584904 /nfs/dbraw/zinc/58/49/04/463584904.db2.gz JWCPDRRXFJRDTN-JTQLQIEISA-N 0 0 348.251 2.313 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529577 463610550 /nfs/dbraw/zinc/61/05/50/463610550.db2.gz UTZPUANXIVJNPZ-HXUWFJFHSA-N 0 0 348.487 2.444 40 0 EEABRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000043983693 463664541 /nfs/dbraw/zinc/66/45/41/463664541.db2.gz LWVQLWFRKKOJFK-WOJGMQOQSA-N 0 0 327.344 2.272 40 0 EEABRN Cn1ccnc1[C@H](NC(=O)CCN1CCSC1=O)c1ccccc1 ZINC000044890785 463698285 /nfs/dbraw/zinc/69/82/85/463698285.db2.gz SFFFMBMZTHEYNZ-OAHLLOKOSA-N 0 0 344.440 2.185 40 0 EEABRN CC(=O)N[C@@H]1C[C@H](c2ccsc2)OC2(CCN(C(C)=O)CC2)C1 ZINC000257284632 463761976 /nfs/dbraw/zinc/76/19/76/463761976.db2.gz PDOUQAVMTJEBFO-HZPDHXFCSA-N 0 0 336.457 2.485 40 0 EEABRN Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257290229 463764710 /nfs/dbraw/zinc/76/47/10/463764710.db2.gz QCCKEJRDHGFTJX-HNNXBMFYSA-N 0 0 349.460 2.326 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)c1 ZINC000257295365 463765913 /nfs/dbraw/zinc/76/59/13/463765913.db2.gz QYAHHLPTURUHIZ-SFHVURJKSA-N 0 0 341.411 2.097 40 0 EEABRN O=c1cc(CC[C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)nc[nH]1 ZINC000257306183 463770534 /nfs/dbraw/zinc/77/05/34/463770534.db2.gz STFBXHSCARWJJX-OAHLLOKOSA-N 0 0 334.807 2.064 40 0 EEABRN Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1 ZINC000194019618 463772901 /nfs/dbraw/zinc/77/29/01/463772901.db2.gz QYPZNWHOKUYNDY-HOCLYGCPSA-N 0 0 338.473 2.247 40 0 EEABRN c1cc2c(C[C@@H]3COCCN(Cc4cscn4)C3)nccn2c1 ZINC000257313199 463773573 /nfs/dbraw/zinc/77/35/73/463773573.db2.gz URJQAXNHMWUTGM-AWEZNQCLSA-N 0 0 328.441 2.482 40 0 EEABRN c1cnc(Nc2nccc(C3CCN(c4cnccn4)CC3)n2)cn1 ZINC000257318317 463775525 /nfs/dbraw/zinc/77/55/25/463775525.db2.gz VNJQKJZGBIMKPJ-UHFFFAOYSA-N 0 0 334.387 2.184 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257324128 463778135 /nfs/dbraw/zinc/77/81/35/463778135.db2.gz WNHKJMGBSOIROA-AWEZNQCLSA-N 0 0 340.427 2.338 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2cccc(N)n2)C1 ZINC000257321491 463778341 /nfs/dbraw/zinc/77/83/41/463778341.db2.gz WBXJTBYUHQVKJK-HNNXBMFYSA-N 0 0 331.347 2.025 40 0 EEABRN Cc1cc(N2CCC3(C[C@H](Cc4cnccn4)CO3)CC2)ncn1 ZINC000257330107 463781303 /nfs/dbraw/zinc/78/13/03/463781303.db2.gz XMWHRFFTLTWJFR-HNNXBMFYSA-N 0 0 325.416 2.193 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257340490 463785615 /nfs/dbraw/zinc/78/56/15/463785615.db2.gz ZGJMESZSVDSDKZ-INIZCTEOSA-N 0 0 348.410 2.304 40 0 EEABRN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000185846415 463888759 /nfs/dbraw/zinc/88/87/59/463888759.db2.gz DYHIXPORJPEXSY-ZDUSSCGKSA-N 0 0 342.403 2.441 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)c2cccc(C(F)(F)F)c2)on1 ZINC000194642066 463902238 /nfs/dbraw/zinc/90/22/38/463902238.db2.gz OUOVQSSUYJUAIZ-UHFFFAOYSA-N 0 0 348.302 2.414 40 0 EEABRN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000195564859 464077427 /nfs/dbraw/zinc/07/74/27/464077427.db2.gz PTWXWQBYMGSYHB-IJEWVQPXSA-N 0 0 348.422 2.056 40 0 EEABRN O=C(NCCc1nc(-c2ccco2)n[nH]1)c1c(F)ccc(F)c1F ZINC000195567419 464079105 /nfs/dbraw/zinc/07/91/05/464079105.db2.gz JBMHFSCVSCBJDS-UHFFFAOYSA-N 0 0 336.273 2.455 40 0 EEABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(N)=O)cc1OC ZINC000222822819 464133417 /nfs/dbraw/zinc/13/34/17/464133417.db2.gz GLHHTUQAVAKUGB-XFXZXTDPSA-N 0 0 332.381 2.022 40 0 EEABRN NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000223296045 464141106 /nfs/dbraw/zinc/14/11/06/464141106.db2.gz ZQACUUXXAUOGSD-UHFFFAOYSA-N 0 0 340.788 2.005 40 0 EEABRN COC(=O)C1CCN(C(=O)COc2cccc3c2CCCC3)CC1 ZINC000224377979 464151450 /nfs/dbraw/zinc/15/14/50/464151450.db2.gz COKLDVGFRHXPAF-UHFFFAOYSA-N 0 0 331.412 2.356 40 0 EEABRN C[C@H]1CCCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000187692551 464151489 /nfs/dbraw/zinc/15/14/89/464151489.db2.gz PVFUNWMTXGNKGH-WFASDCNBSA-N 0 0 344.415 2.091 40 0 EEABRN CC[C@](C)(CNC(=O)c1c(C)ccn1C)NC(=O)c1c(C)ccn1C ZINC000225489450 464164797 /nfs/dbraw/zinc/16/47/97/464164797.db2.gz QRZFVCAADOWDLJ-LJQANCHMSA-N 0 0 344.459 2.309 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ncccn1 ZINC000225627874 464177272 /nfs/dbraw/zinc/17/72/72/464177272.db2.gz DLYLWOBAMMFDAM-UHFFFAOYSA-N 0 0 334.445 2.426 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](CSCC(=O)Nc2ccccc2)C1 ZINC000225690479 464180585 /nfs/dbraw/zinc/18/05/85/464180585.db2.gz IEUOVRRVUYFYSO-ZDUSSCGKSA-N 0 0 342.486 2.030 40 0 EEABRN CCO[C@@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@H](C)C1 ZINC000225713797 464182595 /nfs/dbraw/zinc/18/25/95/464182595.db2.gz IFCWUIQSWDEXKU-UGSOOPFHSA-N 0 0 334.416 2.475 40 0 EEABRN CCOC(=O)C1CCN(C(=S)NC(=O)C2CCCCC2)CC1 ZINC000226357295 464183784 /nfs/dbraw/zinc/18/37/84/464183784.db2.gz CCAPOPFVPMWXGH-UHFFFAOYSA-N 0 0 326.462 2.243 40 0 EEABRN COCCn1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)n1 ZINC000188087311 464197151 /nfs/dbraw/zinc/19/71/51/464197151.db2.gz WICNBZRVFKJRCL-AWEZNQCLSA-N 0 0 346.406 2.067 40 0 EEABRN O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccccc1C(F)(F)F ZINC000238825551 464437469 /nfs/dbraw/zinc/43/74/69/464437469.db2.gz DQUOQGLHPDTVRY-JTQLQIEISA-N 0 0 337.301 2.076 40 0 EEABRN CC(C)(C)OC(=O)[C@H]1CSCCN1Cc1ncnn1C(C)(C)C ZINC000239636937 464444268 /nfs/dbraw/zinc/44/42/68/464444268.db2.gz BHRARSXEUXTOAG-GFCCVEGCSA-N 0 0 340.493 2.292 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C[C@H](C)O)[nH]n2)cc1C ZINC000189148608 464444337 /nfs/dbraw/zinc/44/43/37/464444337.db2.gz LTPDAMNSOCOODC-HOCLYGCPSA-N 0 0 343.427 2.305 40 0 EEABRN O=C(NCCc1ccncc1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000240104231 464444779 /nfs/dbraw/zinc/44/47/79/464444779.db2.gz UMQLSZAVFYFBNR-AWEZNQCLSA-N 0 0 347.802 2.270 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247856311 464711031 /nfs/dbraw/zinc/71/10/31/464711031.db2.gz KRJVZTABJGEARO-OAHLLOKOSA-N 0 0 342.399 2.200 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000247868469 464711059 /nfs/dbraw/zinc/71/10/59/464711059.db2.gz PQWUMWAIUGQNMT-HNNXBMFYSA-N 0 0 348.468 2.221 40 0 EEABRN COc1cccc(CN2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)c1 ZINC000247886668 464712042 /nfs/dbraw/zinc/71/20/42/464712042.db2.gz LGCIWPXOUPYINQ-KRWDZBQOSA-N 0 0 341.411 2.298 40 0 EEABRN C[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1)Cc1cccs1 ZINC000192188469 464882336 /nfs/dbraw/zinc/88/23/36/464882336.db2.gz GXISMQSDGCPVLR-CHWSQXEVSA-N 0 0 344.502 2.003 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000249591863 464896453 /nfs/dbraw/zinc/89/64/53/464896453.db2.gz PFYMAIXJHFNOLA-GJZGRUSLSA-N 0 0 349.456 2.472 40 0 EEABRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C(C)(C)N1CCOCC1 ZINC000252494737 464967838 /nfs/dbraw/zinc/96/78/38/464967838.db2.gz ODELALYBCXHBEN-UHFFFAOYSA-N 0 0 348.447 2.138 40 0 EEABRN O=C(NC1CCCCC1)N1CCN(C(=O)c2conc2C2CC2)CC1 ZINC000252503318 464972397 /nfs/dbraw/zinc/97/23/97/464972397.db2.gz VBAISYQPSHMMAU-UHFFFAOYSA-N 0 0 346.431 2.352 40 0 EEABRN Cc1ccc(CN(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)o1 ZINC000252500746 464972430 /nfs/dbraw/zinc/97/24/30/464972430.db2.gz TUXRHDSWILGMOA-UHFFFAOYSA-N 0 0 342.442 2.395 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN(c3ccncc3Cl)CC2)n1 ZINC000192707129 464980987 /nfs/dbraw/zinc/98/09/87/464980987.db2.gz SZYBJJBJPYGUHZ-GFCCVEGCSA-N 0 0 333.823 2.422 40 0 EEABRN C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO)N(C)CC(F)(F)F ZINC000252550602 464982277 /nfs/dbraw/zinc/98/22/77/464982277.db2.gz SVFWLCDOJOZWEK-KYOSRNDESA-N 0 0 344.377 2.281 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC000253203444 464990749 /nfs/dbraw/zinc/99/07/49/464990749.db2.gz HDOMEQXCCDDYOY-JYJNAYRXSA-N 0 0 347.459 2.124 40 0 EEABRN C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)N1CCOC[C@H]1C ZINC000253370740 464994759 /nfs/dbraw/zinc/99/47/59/464994759.db2.gz VIAOUGNOWVTHMG-CHWSQXEVSA-N 0 0 340.851 2.204 40 0 EEABRN Cc1nnc(CN2C[C@@H](C)N(Cc3nnc(C)s3)[C@@H](C)C2)s1 ZINC000253396565 465000078 /nfs/dbraw/zinc/00/00/78/465000078.db2.gz KJLBQEXNUQKEHD-AOOOYVTPSA-N 0 0 338.506 2.101 40 0 EEABRN Nc1ccc2c(ncnc2N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000253416502 465004144 /nfs/dbraw/zinc/00/41/44/465004144.db2.gz JXESGLDJAOAWAB-UHFFFAOYSA-N 0 0 347.382 2.075 40 0 EEABRN COc1cc(S(=O)(=O)N2CCC(OCC3CC3)CC2)ccc1F ZINC000253421084 465009331 /nfs/dbraw/zinc/00/93/31/465009331.db2.gz POIAUQFRSDGDCU-UHFFFAOYSA-N 0 0 343.420 2.414 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)no1 ZINC000253477888 465016355 /nfs/dbraw/zinc/01/63/55/465016355.db2.gz IAQMXXOVLNQJEM-AWEZNQCLSA-N 0 0 342.399 2.111 40 0 EEABRN Cc1ncc2c(n1)CC[C@@H](NC(=O)N[C@H](C)c1cccc(O)c1)C2 ZINC000363528051 466459807 /nfs/dbraw/zinc/45/98/07/466459807.db2.gz OGDNKQFVJSDYRS-IAQYHMDHSA-N 0 0 326.400 2.408 40 0 EEABRN O=C(CC1CC1)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]12 ZINC000306123425 466486665 /nfs/dbraw/zinc/48/66/65/466486665.db2.gz AMUAYRYDKYRPGS-JFIYKMOQSA-N 0 0 332.419 2.189 40 0 EEABRN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2cscn2)cn1 ZINC000306135707 466492498 /nfs/dbraw/zinc/49/24/98/466492498.db2.gz OYCZNONLELFLQS-JKSUJKDBSA-N 0 0 346.456 2.129 40 0 EEABRN CCN(C)C(=O)CN1CCOc2ccc(Br)cc2C1 ZINC000374833096 466756327 /nfs/dbraw/zinc/75/63/27/466756327.db2.gz NGYDGJQGTFMQMG-UHFFFAOYSA-N 0 0 327.222 2.122 40 0 EEABRN CC[C@@H](C(=O)NCCn1cnc(C2CC2)cc1=O)c1ccccc1 ZINC000390828020 467412409 /nfs/dbraw/zinc/41/24/09/467412409.db2.gz NLYQAAJBJQUUCI-MRXNPFEDSA-N 0 0 325.412 2.431 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)no1 ZINC000390831773 467413588 /nfs/dbraw/zinc/41/35/88/467413588.db2.gz UUXOXHDROODIMG-CYBMUJFWSA-N 0 0 340.426 2.047 40 0 EEABRN CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cc1cccc(C(F)F)c1 ZINC000390834194 467414444 /nfs/dbraw/zinc/41/44/44/467414444.db2.gz UKMLHLIDEPZNFX-CYBMUJFWSA-N 0 0 349.424 2.113 40 0 EEABRN CC(C)C[C@@H]1C(=O)NCCN1Cc1ncc(Br)s1 ZINC000390835765 467414708 /nfs/dbraw/zinc/41/47/08/467414708.db2.gz XWRKFKTVSVZLJG-SECBINFHSA-N 0 0 332.267 2.252 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000575402848 468140982 /nfs/dbraw/zinc/14/09/82/468140982.db2.gz DGVOFNHJFYZZOQ-SNVBAGLBSA-N 0 0 328.434 2.049 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 ZINC000575404621 468141730 /nfs/dbraw/zinc/14/17/30/468141730.db2.gz SQJUSHDIEFRWTF-SLTAFYQDSA-N 0 0 334.391 2.216 40 0 EEABRN O=C(N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21)C1(F)CCC1 ZINC000585108270 468972182 /nfs/dbraw/zinc/97/21/82/468972182.db2.gz LTNLOGAZPFXOHH-BRWVUGGUSA-N 0 0 348.418 2.496 40 0 EEABRN COCc1cn([C@@H]2CCN(C(=O)Cc3ccccc3Cl)C2)nn1 ZINC000585149684 468993964 /nfs/dbraw/zinc/99/39/64/468993964.db2.gz OOEFMWQNOMVEKK-CQSZACIVSA-N 0 0 334.807 2.094 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 ZINC000585182553 468996049 /nfs/dbraw/zinc/99/60/49/468996049.db2.gz MRGBAJBSZBCCQL-AWEZNQCLSA-N 0 0 334.383 2.168 40 0 EEABRN O=C(C[C@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@@H]1O)N1CCCC1 ZINC000585278177 469003759 /nfs/dbraw/zinc/00/37/59/469003759.db2.gz MGWGFAXAKPAJOG-BBRMVZONSA-N 0 0 340.826 2.284 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)[C@H]1Cc1ccccc1 ZINC000585278388 469003889 /nfs/dbraw/zinc/00/38/89/469003889.db2.gz SECFTLOSNJZYJE-HOTGVXAUSA-N 0 0 327.384 2.045 40 0 EEABRN COc1cccc(F)c1CN1CCC[C@](O)(CCC(=O)N(C)C)C1 ZINC000585279102 469004665 /nfs/dbraw/zinc/00/46/65/469004665.db2.gz SVESUJFFIUJRSD-SFHVURJKSA-N 0 0 338.423 2.030 40 0 EEABRN CO[C@H]1CN(C(=O)C(C)(C)n2cncn2)CC[C@@H]1Cc1ccccc1 ZINC000585280606 469008130 /nfs/dbraw/zinc/00/81/30/469008130.db2.gz LLZVKSQUHZZCTJ-SJORKVTESA-N 0 0 342.443 2.119 40 0 EEABRN Cc1nc(/C=C/C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)cs1 ZINC000585290703 469011812 /nfs/dbraw/zinc/01/18/12/469011812.db2.gz UHZBMQHVPYDECZ-RPWHMATFSA-N 0 0 333.457 2.324 40 0 EEABRN COc1cccc2c1CN(C(=O)NC[C@H]1CCCN1CC(F)F)C2 ZINC000624565894 469977760 /nfs/dbraw/zinc/97/77/60/469977760.db2.gz JEZVTODZGFRWJW-CYBMUJFWSA-N 0 0 339.386 2.450 40 0 EEABRN C[C@@H]1CN(C)c2ccccc2N(C(=O)CNC(=O)c2ccco2)C1 ZINC000680871121 486071767 /nfs/dbraw/zinc/07/17/67/486071767.db2.gz KJKPYZVGWGYXLR-CYBMUJFWSA-N 0 0 327.384 2.129 40 0 EEABRN Cc1cc(-c2cnc(NCCN3CCCC3=O)nc2C2CC2)on1 ZINC000072340367 490582776 /nfs/dbraw/zinc/58/27/76/490582776.db2.gz FAEAPYOCPUUXGE-UHFFFAOYSA-N 0 0 327.388 2.352 40 0 EEABRN O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1CC(F)(F)F ZINC000187944662 534804284 /nfs/dbraw/zinc/80/42/84/534804284.db2.gz DGSBRTAPADWNGG-JTQLQIEISA-N 0 0 343.334 2.281 40 0 EEABRN O=C(c1cnn(-c2ccccc2)n1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000079310461 526889016 /nfs/dbraw/zinc/88/90/16/526889016.db2.gz LZWNUIJYAULCSK-KRWDZBQOSA-N 0 0 349.394 2.488 40 0 EEABRN CCOC(=O)c1csc(C2CCN(Cc3nnc(C)o3)CC2)n1 ZINC000191569026 528332957 /nfs/dbraw/zinc/33/29/57/528332957.db2.gz MBTHPKXOTOMVJS-UHFFFAOYSA-N 0 0 336.417 2.391 40 0 EEABRN CCSCc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000185750967 529197256 /nfs/dbraw/zinc/19/72/56/529197256.db2.gz JKIFMJILMOIKSO-GFCCVEGCSA-N 0 0 347.444 2.117 40 0 EEABRN CCCNC(=S)Nc1nc(OC)cc(Sc2ncccn2)n1 ZINC000225884584 535157134 /nfs/dbraw/zinc/15/71/34/535157134.db2.gz RCNBGVIKFHWSNW-UHFFFAOYSA-N 0 0 336.446 2.123 40 0 EEABRN CCc1nnsc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257257403 535869092 /nfs/dbraw/zinc/86/90/92/535869092.db2.gz KPLQEGYVKUGAND-LBPRGKRZSA-N 0 0 333.417 2.062 40 0 EEABRN CCc1nc2sccc2c(N2CCN(CC(F)(F)CO)CC2)n1 ZINC000895102203 683899983 /nfs/dbraw/zinc/89/99/83/683899983.db2.gz TZTOBXYTDQPZFJ-UHFFFAOYSA-N 0 0 342.415 2.003 40 0 EEABRN CCOC(=O)c1ccc(NC(=S)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000015080513 1352325404 /nfs/dbraw/zinc/32/54/04/1352325404.db2.gz CKYAWWHNHAEREQ-HNNXBMFYSA-N 0 0 349.456 2.161 40 0 EEABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]2(O)[C@H]1COCCC1=O ZINC001740816621 1406109417 /nfs/dbraw/zinc/10/94/17/1406109417.db2.gz NIICJULXMQKIPG-MGPUTAFESA-N 0 0 341.407 2.330 40 0 EEABRN Cc1cc(NC(=O)[C@]2(c3ccccc3)CCCO2)c(N(C)C)nn1 ZINC000906020983 783642238 /nfs/dbraw/zinc/64/22/38/783642238.db2.gz ALQNVMQEGDVDRH-GOSISDBHSA-N 0 0 326.400 2.495 40 0 EEABRN O=C(Nc1ccc(F)cc1F)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549161000 1121133912 /nfs/dbraw/zinc/13/39/12/1121133912.db2.gz CNKZLHSNNMXWAA-UHFFFAOYSA-N 0 0 337.326 2.125 40 0 EEABRN O=C(NCC1CCCCC1)[C@H]1CCCN1Cc1noc2c1COCC2 ZINC001548453272 1124294832 /nfs/dbraw/zinc/29/48/32/1124294832.db2.gz ZKHVKOZGINOTKT-QGZVFWFLSA-N 0 0 347.459 2.408 40 0 EEABRN COC(=O)[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000173622402 230987482 /nfs/dbraw/zinc/98/74/82/230987482.db2.gz BQLFXRZRVVXHNA-ABAIWWIYSA-N 0 0 332.379 2.318 40 0 EEABRN COc1ccccc1C1(CNC(=O)c2snnc2C)CCOCC1 ZINC000049520666 214013811 /nfs/dbraw/zinc/01/38/11/214013811.db2.gz NXIXIBSWSUHDRL-UHFFFAOYSA-N 0 0 347.440 2.333 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)N[C@H](C)C[S@](C)=O)CCO2)cc1 ZINC000189903040 529716329 /nfs/dbraw/zinc/71/63/29/529716329.db2.gz ONQQXDGMIVXGBZ-LTJFPGKXSA-N 0 0 338.473 2.099 40 0 EEABRN CN1C[C@H](C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1=O ZINC000184327641 529824894 /nfs/dbraw/zinc/82/48/94/529824894.db2.gz CXHCVYZHUGLOMP-SECBINFHSA-N 0 0 335.310 2.253 40 0 EEABRN O=C(Cc1noc2ccccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000049026582 213977244 /nfs/dbraw/zinc/97/72/44/213977244.db2.gz QUEDWGUYXLPOEI-UONOGXRCSA-N 0 0 349.390 2.178 40 0 EEABRN Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004264567 210155301 /nfs/dbraw/zinc/15/53/01/210155301.db2.gz FJWDUQUXZKGNBZ-UHFFFAOYSA-N 0 0 332.425 2.012 40 0 EEABRN Cc1ccc(C(C)C)c(OCC(=O)NCCCN2CCOCC2)c1 ZINC000045163019 213710586 /nfs/dbraw/zinc/71/05/86/213710586.db2.gz CLOVUYBLZPDLON-UHFFFAOYSA-N 0 0 334.460 2.336 40 0 EEABRN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC000067603598 215167495 /nfs/dbraw/zinc/16/74/95/215167495.db2.gz AHCDQLHPEIEZQP-WOSRLPQWSA-N 0 0 334.441 2.063 40 0 EEABRN CCn1cc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)OC(C)C)n1 ZINC000002807012 209919691 /nfs/dbraw/zinc/91/96/91/209919691.db2.gz YJRPOXBTILNGQF-UHFFFAOYSA-N 0 0 345.355 2.449 40 0 EEABRN Cc1nnc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)s1 ZINC000041548898 213451661 /nfs/dbraw/zinc/45/16/61/213451661.db2.gz RCTXUDCSVLLTQN-CYBMUJFWSA-N 0 0 338.776 2.228 40 0 EEABRN Cc1csc(NC2CCN(Cc3nnn(C(C)(C)C)n3)CC2)n1 ZINC000585090692 539980706 /nfs/dbraw/zinc/98/07/06/539980706.db2.gz UHVIEUDZTCQLBA-UHFFFAOYSA-N 0 0 335.481 2.270 40 0 EEABRN Cn1cnc(CCNC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)n1 ZINC000685939083 539988817 /nfs/dbraw/zinc/98/88/17/539988817.db2.gz ZAXCYWSKBZZBGW-CQSZACIVSA-N 0 0 333.823 2.388 40 0 EEABRN O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cccc(Cl)c1Cl ZINC000040386565 213295972 /nfs/dbraw/zinc/29/59/72/213295972.db2.gz VFIREQIJXCTGNJ-ZETCQYMHSA-N 0 0 340.170 2.182 40 0 EEABRN COC(=O)C1=C(N2CCCC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000001591009 209763249 /nfs/dbraw/zinc/76/32/49/209763249.db2.gz WEPFRJIQIIGTEM-SCLBCKFNSA-N 0 0 345.420 2.324 40 0 in-vivo EEABRN CC(C)NC(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 ZINC000001366368 209730749 /nfs/dbraw/zinc/73/07/49/209730749.db2.gz FZQYLBLRCYIYSM-UHFFFAOYSA-N 0 0 333.392 2.272 40 0 EEABRN Cc1cc(NC(=O)c2cc(C3CC3)nc3ncnn32)n(CC(F)F)n1 ZINC000036619109 213104041 /nfs/dbraw/zinc/10/40/41/213104041.db2.gz FOLZKTOEFFKEPD-UHFFFAOYSA-N 0 0 347.329 2.024 40 0 EEABRN COCCn1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)n1 ZINC000187736728 236287957 /nfs/dbraw/zinc/28/79/57/236287957.db2.gz GLACYJMNPZJHCW-INIZCTEOSA-N 0 0 331.441 2.460 40 0 EEABRN O=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1cccnc1)c1cccs1 ZINC000035315725 213020501 /nfs/dbraw/zinc/02/05/01/213020501.db2.gz JPCPXENORHHISR-HIFRSBDPSA-N 0 0 346.408 2.336 40 0 EEABRN O=C(NCC[C@@H](O)c1ccco1)c1ccc(Cn2cccn2)cc1 ZINC000072243139 216082745 /nfs/dbraw/zinc/08/27/45/216082745.db2.gz UWNFQADOEZTAOM-MRXNPFEDSA-N 0 0 325.368 2.378 40 0 EEABRN COC(=O)Cn1nc2c3c(C)c(C)sc3nc(C(C)C)n2c1=O ZINC000072335227 216156116 /nfs/dbraw/zinc/15/61/16/216156116.db2.gz QPGUDTKVNFDGNM-UHFFFAOYSA-N 0 0 334.401 2.019 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000072360410 216167161 /nfs/dbraw/zinc/16/71/61/216167161.db2.gz QIVKFOXDUUTJCL-CQSZACIVSA-N 0 0 336.403 2.379 40 0 EEABRN Cc1cc(N2CC[C@H](c3cc(Nc4ncccn4)nc(C)n3)C2)ncn1 ZINC000072382760 216182892 /nfs/dbraw/zinc/18/28/92/216182892.db2.gz JPHLHMKWKWZMMQ-AWEZNQCLSA-N 0 0 348.414 2.411 40 0 EEABRN COc1ccc(Nc2cc([C@@H]3CCN3S(C)(=O)=O)nc(C)n2)cc1 ZINC000072387131 216184984 /nfs/dbraw/zinc/18/49/84/216184984.db2.gz KVDYGAZJRGUICH-HNNXBMFYSA-N 0 0 348.428 2.244 40 0 EEABRN CNc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(C)n3)C2)nn1 ZINC000072387380 216186841 /nfs/dbraw/zinc/18/68/41/216186841.db2.gz VWSNLPIQZXOMFH-AWEZNQCLSA-N 0 0 325.416 2.317 40 0 EEABRN Cc1cnc(C[C@H]2COCCN(C(=O)Cc3ccccc3)C2)cn1 ZINC000072388263 216187952 /nfs/dbraw/zinc/18/79/52/216187952.db2.gz LMJQJBXPKVZPFX-QGZVFWFLSA-N 0 0 325.412 2.045 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000072397137 216192661 /nfs/dbraw/zinc/19/26/61/216192661.db2.gz HBXREWQUYZYVGP-VHDGCEQUSA-N 0 0 338.411 2.194 40 0 EEABRN Cc1ccccc1NC(=O)COC(=O)CCC(=O)NCc1ccco1 ZINC000408668319 238296896 /nfs/dbraw/zinc/29/68/96/238296896.db2.gz VZBGPPPQLAKFIY-UHFFFAOYSA-N 0 0 344.367 2.166 40 0 EEABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000408672618 238297330 /nfs/dbraw/zinc/29/73/30/238297330.db2.gz VPYPTUGEKOAHAC-MRHCDFOMSA-N 0 0 328.364 2.307 40 0 EEABRN O=C(C1CC=CC1)N1CCC2(CC(=O)N(Cc3cccnc3)C2)CC1 ZINC000108526088 219897445 /nfs/dbraw/zinc/89/74/45/219897445.db2.gz VAHTXHCLJACVDL-UHFFFAOYSA-N 0 0 339.439 2.389 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000097371296 291302631 /nfs/dbraw/zinc/30/26/31/291302631.db2.gz LPDZKUDBNIHHCG-QWRGUYRKSA-N 0 0 329.849 2.282 40 0 EEABRN COC(=O)C1CCN(C(=O)NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000074795216 216521497 /nfs/dbraw/zinc/52/14/97/216521497.db2.gz ARQRWWMNYPMVDB-GFCCVEGCSA-N 0 0 338.379 2.188 40 0 EEABRN CC(C)CCn1c(=O)c2ccccc2nc1SCc1nnn(C)n1 ZINC000193051754 239997686 /nfs/dbraw/zinc/99/76/86/239997686.db2.gz FXAKESGJICZBBT-UHFFFAOYSA-N 0 0 344.444 2.258 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)NC[C@H](O)c1ccc(Cl)s1 ZINC000075273922 216602329 /nfs/dbraw/zinc/60/23/29/216602329.db2.gz DDRZYGZHJSZDEB-NSHDSACASA-N 0 0 327.837 2.144 40 0 EEABRN CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000022271909 212286083 /nfs/dbraw/zinc/28/60/83/212286083.db2.gz UVQOAHCZGBWUFS-UHFFFAOYSA-N 0 0 340.351 2.224 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 ZINC000075391183 216615559 /nfs/dbraw/zinc/61/55/59/216615559.db2.gz QOADERQEKJGMHV-ZDUSSCGKSA-N 0 0 338.477 2.098 40 0 EEABRN CCS(=O)(=O)c1ccc(N2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000195576135 241022485 /nfs/dbraw/zinc/02/24/85/241022485.db2.gz MASAIIZLARJSTG-UHFFFAOYSA-N 0 0 338.473 2.221 40 0 EEABRN CCc1nnc(SCC(=O)Nc2cccc(C(=O)OC)c2)n1CC ZINC000216102093 241161939 /nfs/dbraw/zinc/16/19/39/241161939.db2.gz UWYNNHNUGBDQAG-UHFFFAOYSA-N 0 0 348.428 2.378 40 0 EEABRN O=C(Cc1ccc(Cl)cn1)NC1(C(=O)NCC2CC2)CCCC1 ZINC000225811068 242048228 /nfs/dbraw/zinc/04/82/28/242048228.db2.gz CKJKOUMKVMDILI-UHFFFAOYSA-N 0 0 335.835 2.233 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@@H](C)C2)n1 ZINC000225878098 242066985 /nfs/dbraw/zinc/06/69/85/242066985.db2.gz QZAUMXOAKOUOHX-GFCCVEGCSA-N 0 0 334.493 2.229 40 0 EEABRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(O)c(OC)c1 ZINC000021186812 212214989 /nfs/dbraw/zinc/21/49/89/212214989.db2.gz MDZFDUSGSKRDGF-AWEZNQCLSA-N 0 0 336.413 2.099 40 0 EEABRN Clc1snnc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183637 216721113 /nfs/dbraw/zinc/72/11/13/216721113.db2.gz ZMQLHLYSIKOIBD-UHFFFAOYSA-N 0 0 332.820 2.466 40 0 EEABRN NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000247711287 243451276 /nfs/dbraw/zinc/45/12/76/243451276.db2.gz JPENEENUSKIHMJ-ZHAHWJHGSA-N 0 0 327.211 2.431 40 0 EEABRN O=C(NCCc1ccccc1OC(F)F)N[C@H]1CC[C@H](O)CC1 ZINC000248795290 243621001 /nfs/dbraw/zinc/62/10/01/243621001.db2.gz TZHIBOQZMWRSKV-JOCQHMNTSA-N 0 0 328.359 2.433 40 0 EEABRN C[C@@H](c1cccnc1)N(C)C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000252500449 243823472 /nfs/dbraw/zinc/82/34/72/243823472.db2.gz SVWLWDSUXPRJQT-SMDDNHRTSA-N 0 0 333.388 2.088 40 0 EEABRN Cc1cccc(CCNC(=O)N2CCC(N3CCCCC3=O)CC2)n1 ZINC000253421128 243958302 /nfs/dbraw/zinc/95/83/02/243958302.db2.gz QNHXLJCGHVZFIN-UHFFFAOYSA-N 0 0 344.459 2.119 40 0 EEABRN C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1ccc(Br)cn1 ZINC000253429891 243977336 /nfs/dbraw/zinc/97/73/36/243977336.db2.gz VWFXEFJAUWOQNG-MXWKQRLJSA-N 0 0 342.237 2.175 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCN1C ZINC000257206237 244132763 /nfs/dbraw/zinc/13/27/63/244132763.db2.gz BCNLMESZXJANDN-QGZVFWFLSA-N 0 0 342.443 2.093 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)n1 ZINC000257201193 244120210 /nfs/dbraw/zinc/12/02/10/244120210.db2.gz AGSHWMIYADBPOF-MRXNPFEDSA-N 0 0 337.427 2.484 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)C=Cc3ccccc3)CCO2)n1 ZINC000257218698 244174020 /nfs/dbraw/zinc/17/40/20/244174020.db2.gz DEEBDBKVRHCXJM-MVGZEHJDSA-N 0 0 325.368 2.104 40 0 EEABRN CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000257207753 244138952 /nfs/dbraw/zinc/13/89/52/244138952.db2.gz BJBQFKWRAGYHAD-UHFFFAOYSA-N 0 0 348.406 2.438 40 0 EEABRN Cc1ccc(N2CCC(C)(C(=O)NCCc3ccccn3)CC2)nn1 ZINC000257231420 244214157 /nfs/dbraw/zinc/21/41/57/244214157.db2.gz GGPISKLHBJTTMW-UHFFFAOYSA-N 0 0 339.443 2.145 40 0 EEABRN Cn1cc(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)c2ccccc21 ZINC000257220288 244180725 /nfs/dbraw/zinc/18/07/25/244180725.db2.gz DKHAWILWOZGJKD-QGZVFWFLSA-N 0 0 336.395 2.369 40 0 EEABRN CN(C)c1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 ZINC000257235651 244226413 /nfs/dbraw/zinc/22/64/13/244226413.db2.gz GYUBNPXHIMDVFV-INIZCTEOSA-N 0 0 347.459 2.133 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H](c2ccncn2)C1 ZINC000257239405 244237623 /nfs/dbraw/zinc/23/76/23/244237623.db2.gz HPDGTFHVZJNSSA-INIZCTEOSA-N 0 0 337.427 2.492 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 ZINC000257248348 244263842 /nfs/dbraw/zinc/26/38/42/244263842.db2.gz JDFWXQFEXGDMIW-OAHLLOKOSA-N 0 0 338.415 2.365 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ncccc1C ZINC000257257355 244284423 /nfs/dbraw/zinc/28/44/23/244284423.db2.gz KPEMNJHSDPQLCZ-CYJAXWMASA-N 0 0 327.428 2.394 40 0 EEABRN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2C)CC1 ZINC000020017585 212094024 /nfs/dbraw/zinc/09/40/24/212094024.db2.gz KAVKHHXPABEZLW-UHFFFAOYSA-N 0 0 328.409 2.134 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cccs2)n1 ZINC000257273404 244385637 /nfs/dbraw/zinc/38/56/37/244385637.db2.gz NGLHLQBJUPELAC-CYBMUJFWSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1cc2nc(C3CCN(S(=O)(=O)C4CCCC4)CC3)ccn2n1 ZINC000257293470 244442192 /nfs/dbraw/zinc/44/21/92/244442192.db2.gz QPNWIPJXUSMYRO-UHFFFAOYSA-N 0 0 348.472 2.490 40 0 EEABRN Cc1ccsc1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257297012 244453850 /nfs/dbraw/zinc/45/38/50/244453850.db2.gz RFJQZIMPJKMPBL-QGZVFWFLSA-N 0 0 349.431 2.352 40 0 EEABRN CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccsc1 ZINC000257319868 244516562 /nfs/dbraw/zinc/51/65/62/244516562.db2.gz VUJITQLDDXPNGY-KRWDZBQOSA-N 0 0 349.431 2.386 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 ZINC000257327890 244541589 /nfs/dbraw/zinc/54/15/89/244541589.db2.gz XDEHYUVJZRAFCV-CQSZACIVSA-N 0 0 346.456 2.339 40 0 EEABRN CC(C)c1csc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)n1 ZINC000019748869 212062482 /nfs/dbraw/zinc/06/24/82/212062482.db2.gz DIXUMVHFTJBXRQ-UHFFFAOYSA-N 0 0 345.490 2.267 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@@]2(C)C(=O)NC2CCCC2)cs1 ZINC000019746516 212060576 /nfs/dbraw/zinc/06/05/76/212060576.db2.gz VKKWFIQINPVVCL-KRWDZBQOSA-N 0 0 335.473 2.434 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000019747918 212061024 /nfs/dbraw/zinc/06/10/24/212061024.db2.gz RGAMPXCBEQWAJC-MRXNPFEDSA-N 0 0 341.411 2.112 40 0 EEABRN CCOC(=O)c1n[nH]cc1-c1cncn1CCn1nc(C)c(C)c1C ZINC000019719730 212057240 /nfs/dbraw/zinc/05/72/40/212057240.db2.gz JNLDXUAYLDHKHP-UHFFFAOYSA-N 0 0 342.403 2.272 40 0 EEABRN COc1cccc(-c2nnc(NC(=O)[C@H]3CC(C)=NO3)s2)c1OC ZINC000019658219 212054570 /nfs/dbraw/zinc/05/45/70/212054570.db2.gz QYEOKKGYUKJEBL-LLVKDONJSA-N 0 0 348.384 2.326 40 0 EEABRN COc1ccc(-c2cc([C@@H]3CCN(C(=O)c4cc[nH]n4)C3)[nH]n2)cc1 ZINC000019557902 212042614 /nfs/dbraw/zinc/04/26/14/212042614.db2.gz UNBYXXNOYNQJPX-CYBMUJFWSA-N 0 0 337.383 2.438 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000077837195 216982695 /nfs/dbraw/zinc/98/26/95/216982695.db2.gz RNERKHNMEYKHRL-UHFFFAOYSA-N 0 0 330.388 2.189 40 0 EEABRN CC(C)c1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 ZINC000078028699 217012356 /nfs/dbraw/zinc/01/23/56/217012356.db2.gz RZNIFCWSNAETSG-UHFFFAOYSA-N 0 0 335.429 2.303 40 0 EEABRN COc1cc(C(=O)N2CCCc3c(cnn3C)C2)cc(OC)c1OC ZINC000019289652 212011568 /nfs/dbraw/zinc/01/15/68/212011568.db2.gz OVWZKWXZNIXASS-UHFFFAOYSA-N 0 0 345.399 2.035 40 0 EEABRN COCCN1C[C@@H](C(=O)O[C@@H]2CSCc3ccccc32)CC1=O ZINC000078442701 217053204 /nfs/dbraw/zinc/05/32/04/217053204.db2.gz UGNDKJZGGYGOKJ-DZGCQCFKSA-N 0 0 335.425 2.013 40 0 EEABRN CCN(C)c1ccccc1CNC(=O)CNC(=O)c1ccccc1 ZINC000078611490 217086397 /nfs/dbraw/zinc/08/63/97/217086397.db2.gz AIRRTBTVXBCURD-UHFFFAOYSA-N 0 0 325.412 2.189 40 0 EEABRN Cc1cnn(Cc2ccc(NC(=O)COC[C@H]3CCCO3)cc2)c1 ZINC000078776169 217118986 /nfs/dbraw/zinc/11/89/86/217118986.db2.gz URSACKJICGBSOY-QGZVFWFLSA-N 0 0 329.400 2.374 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccccc2F)C1 ZINC000078879543 217137664 /nfs/dbraw/zinc/13/76/64/217137664.db2.gz LOHFGQKJMRJJFJ-GFCCVEGCSA-N 0 0 338.379 2.330 40 0 EEABRN Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000079028999 217178151 /nfs/dbraw/zinc/17/81/51/217178151.db2.gz HGNZKDDKVREWQS-HNNXBMFYSA-N 0 0 332.787 2.437 40 0 EEABRN CCN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@@H](C)CS(C)(=O)=O ZINC000079036409 217179085 /nfs/dbraw/zinc/17/90/85/217179085.db2.gz OAVQQSKALWAMAY-XHDPSFHLSA-N 0 0 342.436 2.278 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000079045336 217181005 /nfs/dbraw/zinc/18/10/05/217181005.db2.gz ZMOCDRCAPMFAMF-DYEKYZERSA-N 0 0 340.395 2.058 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000079045319 217181125 /nfs/dbraw/zinc/18/11/25/217181125.db2.gz ZMOCDRCAPMFAMF-BZPMIXESSA-N 0 0 340.395 2.058 40 0 EEABRN C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000079310072 217207312 /nfs/dbraw/zinc/20/73/12/217207312.db2.gz MILFOQBTRKBLAO-NXEZZACHSA-N 0 0 326.190 2.268 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079414001 217221631 /nfs/dbraw/zinc/22/16/31/217221631.db2.gz NVYCVUMILXBWFE-MRXNPFEDSA-N 0 0 332.400 2.337 40 0 EEABRN CCc1nc(CN2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)no1 ZINC000110791005 220066261 /nfs/dbraw/zinc/06/62/61/220066261.db2.gz QABZHBOOUMZLKM-UHFFFAOYSA-N 0 0 340.427 2.079 40 0 EEABRN CN(Cc1nc(CCc2ccccc2)no1)C1CCS(=O)CC1 ZINC000079463035 217228810 /nfs/dbraw/zinc/22/88/10/217228810.db2.gz XBXXRKXFZQFFKV-UHFFFAOYSA-N 0 0 333.457 2.198 40 0 EEABRN C[C@@H](NC(=O)CCS(C)(=O)=O)c1ccc(-c2cccnc2)cc1 ZINC000081000990 217349035 /nfs/dbraw/zinc/34/90/35/217349035.db2.gz VJHNGQMHWXHNPE-CYBMUJFWSA-N 0 0 332.425 2.361 40 0 EEABRN CN(Cc1cc(Br)cs1)C(=O)CN1CCCOC1=O ZINC000084583012 217617102 /nfs/dbraw/zinc/61/71/02/217617102.db2.gz PKRXCTFYPLTZDN-UHFFFAOYSA-N 0 0 347.234 2.311 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCCCCC3)n2)o1 ZINC000012182812 211312663 /nfs/dbraw/zinc/31/26/63/211312663.db2.gz PNOJUGOMMXTWMU-UHFFFAOYSA-N 0 0 344.415 2.187 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCCOC)C1 ZINC000012145832 211306505 /nfs/dbraw/zinc/30/65/05/211306505.db2.gz AAINBSGCRZREMU-HNNXBMFYSA-N 0 0 344.459 2.425 40 0 EEABRN C=COCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000012145814 211305937 /nfs/dbraw/zinc/30/59/37/211305937.db2.gz AGXPIQBCOBKDKZ-AWEZNQCLSA-N 0 0 328.416 2.066 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cccc1F ZINC000012114517 211292279 /nfs/dbraw/zinc/29/22/79/211292279.db2.gz WRZIIGAGJQHWFN-HWRGOXINSA-N 0 0 347.365 2.353 40 0 EEABRN COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C(C)C)cc1OC ZINC000010339014 211166000 /nfs/dbraw/zinc/16/60/00/211166000.db2.gz XFHORLHEABLQNC-UHFFFAOYSA-N 0 0 341.367 2.350 40 0 EEABRN CC(C)OCCS(=O)(=O)NCc1cccc(Br)c1 ZINC000093666348 218241315 /nfs/dbraw/zinc/24/13/15/218241315.db2.gz DDKKADRSPNMEDK-UHFFFAOYSA-N 0 0 336.251 2.294 40 0 EEABRN C[C@@H](CNC(=O)Nc1cccc(Cn2ccccc2=O)c1)C[C@H](C)O ZINC000095400309 218334361 /nfs/dbraw/zinc/33/43/61/218334361.db2.gz WVZSROJNBRCNAF-CABCVRRESA-N 0 0 343.427 2.425 40 0 EEABRN Cc1cccc([C@@H](NC(=O)N2CCNC(=O)CC2)c2ccccn2)c1 ZINC000095452025 218396839 /nfs/dbraw/zinc/39/68/39/218396839.db2.gz HPHKYZIFQGXYTO-GOSISDBHSA-N 0 0 338.411 2.011 40 0 EEABRN Cc1nnc(N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)s1 ZINC000096040948 218523699 /nfs/dbraw/zinc/52/36/99/218523699.db2.gz FGANCNPPNJRMBX-ILXRZTDVSA-N 0 0 332.429 2.195 40 0 EEABRN Cc1cncc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)c1 ZINC000096085163 218584061 /nfs/dbraw/zinc/58/40/61/218584061.db2.gz NZTUTCKQIPBKRX-UHFFFAOYSA-N 0 0 326.400 2.169 40 0 EEABRN COc1ccc(-n2cc(C(=O)Nc3nnc(C)s3)ccc2=O)cc1 ZINC000096192138 218660954 /nfs/dbraw/zinc/66/09/54/218660954.db2.gz QELZADDIJMTCJK-UHFFFAOYSA-N 0 0 342.380 2.258 40 0 EEABRN O=C(NCc1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 ZINC000096200450 218671888 /nfs/dbraw/zinc/67/18/88/218671888.db2.gz OKBZLGKZVVXAKL-IRXDYDNUSA-N 0 0 329.375 2.108 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096208550 218683942 /nfs/dbraw/zinc/68/39/42/218683942.db2.gz RDOYZJLYVKAGFV-YJBOKZPZSA-N 0 0 343.383 2.221 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)N3CCCC3)C2)c1 ZINC000096227092 218704465 /nfs/dbraw/zinc/70/44/65/218704465.db2.gz YIYRZISXKMQBAP-PXNSSMCTSA-N 0 0 341.455 2.227 40 0 EEABRN COCCN1CCN(C(=O)NC2CCCC2)Cc2ccc(C)nc21 ZINC000096199052 285042419 /nfs/dbraw/zinc/04/24/19/285042419.db2.gz PGFLBJJNSMPJFE-UHFFFAOYSA-N 0 0 332.448 2.311 40 0 EEABRN COc1cc(CCNC(=O)NCC[S@@](=O)C(C)(C)C)ccc1C ZINC000096421586 218787491 /nfs/dbraw/zinc/78/74/91/218787491.db2.gz WCPYTCMYBFLFDF-QHCPKHFHSA-N 0 0 340.489 2.393 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424292 218792720 /nfs/dbraw/zinc/79/27/20/218792720.db2.gz WTMRDEQMGGAUET-KSSFIOAISA-N 0 0 342.418 2.126 40 0 EEABRN COc1c(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)nn1C ZINC000096432845 218808697 /nfs/dbraw/zinc/80/86/97/218808697.db2.gz ZZQVMSUMYMXUAN-UHFFFAOYSA-N 0 0 348.350 2.185 40 0 EEABRN Cc1ccc(CCNC(=O)N2CCN(Cc3ccon3)CC2)c(C)c1 ZINC000096439491 218819069 /nfs/dbraw/zinc/81/90/69/218819069.db2.gz SPRFVFJALGVUBV-UHFFFAOYSA-N 0 0 342.443 2.361 40 0 EEABRN Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000096449771 218832633 /nfs/dbraw/zinc/83/26/33/218832633.db2.gz JKNMJQHVQUTMBY-RZFZLAGVSA-N 0 0 344.436 2.489 40 0 EEABRN O=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCOC1 ZINC000096453007 218836809 /nfs/dbraw/zinc/83/68/09/218836809.db2.gz LRQJFXTVGOCDLS-GFCCVEGCSA-N 0 0 328.821 2.072 40 0 EEABRN CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(C(N)=O)nn1 ZINC000096469694 218848577 /nfs/dbraw/zinc/84/85/77/218848577.db2.gz YHOXOZVLFAUJJW-UHFFFAOYSA-N 0 0 326.278 2.111 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CC[C@@H]3CCCO3)CC2)nc(C)n1 ZINC000096454875 218839095 /nfs/dbraw/zinc/83/90/95/218839095.db2.gz BKXTVUWOJPRLRZ-INIZCTEOSA-N 0 0 332.448 2.138 40 0 EEABRN CC[C@](Br)([C@@H](O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096521642 218882588 /nfs/dbraw/zinc/88/25/88/218882588.db2.gz BMVMCAWHLFIUJU-NWDGAFQWSA-N 0 0 336.251 2.238 40 0 EEABRN CSc1ccccc1S(=O)(=O)NC[C@H](C)Cn1cccn1 ZINC000186979456 533052612 /nfs/dbraw/zinc/05/26/12/533052612.db2.gz YSFAWTBISRPRHS-LBPRGKRZSA-N 0 0 325.459 2.220 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000005060651 210379491 /nfs/dbraw/zinc/37/94/91/210379491.db2.gz YDTQUPCTHMUHEB-ZDUSSCGKSA-N 0 0 331.416 2.020 40 0 EEABRN O=C(NN1CC(=O)N(C2CCCC2)C1=O)c1cc2c(s1)CCCC2 ZINC000005018980 210364458 /nfs/dbraw/zinc/36/44/58/210364458.db2.gz IQNSKLBVTKRWCK-UHFFFAOYSA-N 0 0 347.440 2.479 40 0 EEABRN O=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1ccccc1 ZINC000004982267 210348548 /nfs/dbraw/zinc/34/85/48/210348548.db2.gz RZLJGVJVMNVMIG-UHFFFAOYSA-N 0 0 337.375 2.365 40 0 EEABRN Cc1c(Cl)cccc1N(CC(=O)NCC(C)C)S(C)(=O)=O ZINC000004977215 210346074 /nfs/dbraw/zinc/34/60/74/210346074.db2.gz ISFCUOVQPLLVIB-UHFFFAOYSA-N 0 0 332.853 2.187 40 0 EEABRN O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1O ZINC000153642440 224135625 /nfs/dbraw/zinc/13/56/25/224135625.db2.gz QCHVRPFQGBHTEM-UHFFFAOYSA-N 0 0 346.836 2.190 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O ZINC000242548106 257684469 /nfs/dbraw/zinc/68/44/69/257684469.db2.gz LCZAPBOJZZRJPU-LZWOXQAQSA-N 0 0 341.498 2.068 40 0 EEABRN COc1ccc([C@]2(O)CC(C)=NN2C(=O)[C@@H](O)c2ccccc2)cc1 ZINC000408563243 257896854 /nfs/dbraw/zinc/89/68/54/257896854.db2.gz JXZYBEWZIVWYNG-PKOBYXMFSA-N 0 0 340.379 2.182 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000012342541 257859322 /nfs/dbraw/zinc/85/93/22/257859322.db2.gz XDNPKQPWSKZECJ-SYQHCUMBSA-N 0 0 326.437 2.052 40 0 EEABRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1C[C@H](O)C[C@H]1CO ZINC000359543157 153428697 /nfs/dbraw/zinc/42/86/97/153428697.db2.gz BLJMZSVXIUZFEQ-XKAARJIMSA-N 0 0 330.211 2.051 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 ZINC000072241738 287260418 /nfs/dbraw/zinc/26/04/18/287260418.db2.gz KWDCVEQPVISAQQ-OAUYIBNBSA-N 0 0 334.391 2.125 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@@H]1CCCCNC1=O ZINC000164439265 226073098 /nfs/dbraw/zinc/07/30/98/226073098.db2.gz DNSGZZCFXSMUIX-RHSMWYFYSA-N 0 0 345.443 2.083 40 0 EEABRN O=C1c2ccccc2C(=O)N1CCN1CCN(c2ccccc2)CC1 ZINC000052957270 275031205 /nfs/dbraw/zinc/03/12/05/275031205.db2.gz XJIVMDLRFJXHEY-UHFFFAOYSA-N 0 0 335.407 2.105 40 0 EEABRN O=C(NCCn1c(=O)[nH]c2ccccc21)N1CCCc2occc2C1 ZINC000290918801 275252471 /nfs/dbraw/zinc/25/24/71/275252471.db2.gz FCSLMMSWDFTRAP-UHFFFAOYSA-N 0 0 340.383 2.081 40 0 EEABRN CC(=O)Nc1ncc(Br)cc1I ZINC000089228982 277091821 /nfs/dbraw/zinc/09/18/21/277091821.db2.gz VSLJCWGPOQBBSM-UHFFFAOYSA-N 0 0 340.946 2.407 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2nccn2C(C)C)n1 ZINC000257225814 278125137 /nfs/dbraw/zinc/12/51/37/278125137.db2.gz FHXYLKLKNGFFGB-INIZCTEOSA-N 0 0 342.447 2.227 40 0 EEABRN CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(OC)cccc3[C@@H]12 ZINC000019418593 279530410 /nfs/dbraw/zinc/53/04/10/279530410.db2.gz AIZKYMCANWAIAL-HNNXBMFYSA-N 0 0 329.352 2.412 40 0 EEABRN CCOC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218040867 279752220 /nfs/dbraw/zinc/75/22/20/279752220.db2.gz PIWJASYTVXHSOK-SQNIBIBYSA-N 0 0 331.437 2.360 40 0 EEABRN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc(N2CCCCCC2)n1 ZINC000072241509 280343061 /nfs/dbraw/zinc/34/30/61/280343061.db2.gz RHUMVENEHOPNHJ-GJZGRUSLSA-N 0 0 332.448 2.415 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)s1 ZINC000257220725 280774614 /nfs/dbraw/zinc/77/46/14/280774614.db2.gz DLWUJUFKOJBBQZ-GJZGRUSLSA-N 0 0 342.420 2.313 40 0 EEABRN COc1ccccc1N1CCC(NC(=O)N2CCC[C@H](O)[C@H]2C)CC1 ZINC000297249500 294192629 /nfs/dbraw/zinc/19/26/29/294192629.db2.gz OHKFZNATGWPJNF-PBHICJAKSA-N 0 0 347.459 2.219 40 0 EEABRN COc1ccccc1N1CCN(C(=O)N[C@@H]2CCOC2(C)C)CC1 ZINC000297786682 294340631 /nfs/dbraw/zinc/34/06/31/294340631.db2.gz MKGKHOKJWWRPQF-MRXNPFEDSA-N 0 0 333.432 2.094 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C)nc3onc(C)c32)n1 ZINC000257225458 301024548 /nfs/dbraw/zinc/02/45/48/301024548.db2.gz FGHAFLQYLLZGJF-CYBMUJFWSA-N 0 0 341.371 2.085 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@H]3C)OCC(=O)N2C)cc1 ZINC000230173788 301776261 /nfs/dbraw/zinc/77/62/61/301776261.db2.gz FJYYRUSYHUZOHJ-ZTFGCOKTSA-N 0 0 330.428 2.294 40 0 EEABRN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000107913303 301777370 /nfs/dbraw/zinc/77/73/70/301777370.db2.gz DKXOTTPAYPGLTE-IDHHARJASA-N 0 0 344.411 2.431 40 0 EEABRN C[C@H]1CN(Cc2ccc(C(=O)N(C)c3ncccn3)cc2)C[C@H](C)O1 ZINC000332547310 312023192 /nfs/dbraw/zinc/02/31/92/312023192.db2.gz NTMKJRZFTWPVMJ-GJZGRUSLSA-N 0 0 340.427 2.362 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCc2scnc2C)n1 ZINC000097102793 323321521 /nfs/dbraw/zinc/32/15/21/323321521.db2.gz IWJRYRFXWCEOML-LLVKDONJSA-N 0 0 338.458 2.500 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000097378146 323322318 /nfs/dbraw/zinc/32/23/18/323322318.db2.gz AQZAANGYLNQPRG-OCCSQVGLSA-N 0 0 346.349 2.330 40 0 EEABRN COc1ccccc1NC(=O)CN1CCOC[C@H]1c1cccn1C ZINC000131901380 323329299 /nfs/dbraw/zinc/32/92/99/323329299.db2.gz QHPYSIZAWSCYAA-INIZCTEOSA-N 0 0 329.400 2.046 40 0 EEABRN COC(=O)C1(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000185865954 323440144 /nfs/dbraw/zinc/44/01/44/323440144.db2.gz IQQFZEHITJFGCT-UHFFFAOYSA-N 0 0 334.372 2.314 40 0 EEABRN COc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1O ZINC000000147845 462543288 /nfs/dbraw/zinc/54/32/88/462543288.db2.gz JTGUXSILNVYJHF-HNNXBMFYSA-N 0 0 344.371 2.233 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccco1 ZINC000085467399 462548688 /nfs/dbraw/zinc/54/86/88/462548688.db2.gz TTWLANCSPITLMN-OAHLLOKOSA-N 0 0 330.359 2.382 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NC2CCCCC2)C1 ZINC000000240111 462550012 /nfs/dbraw/zinc/55/00/12/462550012.db2.gz VGRNJQORFFPPOO-UONOGXRCSA-N 0 0 331.485 2.475 40 0 EEABRN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000000554648 462569825 /nfs/dbraw/zinc/56/98/25/462569825.db2.gz GKODNDKXBJOUAT-XJIUQZFPSA-N 0 0 333.771 2.190 40 0 EEABRN Cc1ccc(S(=O)(=O)n2oc(=O)c(Cc3ccccc3)c2N)cc1 ZINC000001690054 462585282 /nfs/dbraw/zinc/58/52/82/462585282.db2.gz SNCQDQQXUKQYKG-UHFFFAOYSA-N 0 0 344.392 2.160 40 0 EEABRN COc1cccc([C@@H](O)[C@@H]([NH3+])c2cccc(OC)c2OC)c1OC ZINC000001667018 462585763 /nfs/dbraw/zinc/58/57/63/462585763.db2.gz NQCYRUZEDDWTHR-JKSUJKDBSA-N 0 0 333.384 2.454 40 0 EEABRN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1N=CC=O ZINC000003280951 462614734 /nfs/dbraw/zinc/61/47/34/462614734.db2.gz RJKFUZARPUXZOV-BLLMUTORSA-N 0 0 346.799 2.160 40 0 EEABRN COc1ccccc1N(CCCC(=O)NCC(C)C)S(C)(=O)=O ZINC000113968163 462619460 /nfs/dbraw/zinc/61/94/60/462619460.db2.gz SUPUTZFBOSCZCK-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN CCOP(=O)(OCC)C(Cl)(Cl)[C@H](O)N1CCCC1=O ZINC000005711308 462666994 /nfs/dbraw/zinc/66/69/94/462666994.db2.gz XLKCJGQPPFKOOG-VIFPVBQESA-N 0 0 334.136 2.325 40 0 EEABRN CC(C)CCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000006325711 462682857 /nfs/dbraw/zinc/68/28/57/462682857.db2.gz KTQMMUVJXDAUMV-UHFFFAOYSA-N 0 0 332.853 2.268 40 0 EEABRN COc1cccc(NC(=O)CSc2nnc(NC(C)=O)s2)c1 ZINC000007387536 462734051 /nfs/dbraw/zinc/73/40/51/462734051.db2.gz SPHZSPLVBRBUSY-UHFFFAOYSA-N 0 0 338.414 2.236 40 0 EEABRN O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(F)cc1Cl ZINC000065225020 462743823 /nfs/dbraw/zinc/74/38/23/462743823.db2.gz SVJRXKDFGPWRNJ-UHFFFAOYSA-N 0 0 336.754 2.358 40 0 EEABRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCCc4c3cnn4C)c12 ZINC000047490898 462789633 /nfs/dbraw/zinc/78/96/33/462789633.db2.gz DFXVBYJCPJEIPE-AWEZNQCLSA-N 0 0 338.415 2.126 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000047652119 462810304 /nfs/dbraw/zinc/81/03/04/462810304.db2.gz QNRPQKWHRCZHIC-LFYBBSHMSA-N 0 0 346.408 2.255 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 ZINC000010129975 462813405 /nfs/dbraw/zinc/81/34/05/462813405.db2.gz AITCRDKKPZYITR-WTTBNOFXSA-N 0 0 346.427 2.316 40 0 EEABRN O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@H]1CC=CCC1 ZINC000076477513 462866326 /nfs/dbraw/zinc/86/63/26/462866326.db2.gz RRCPTQMWSOOFTN-KBPBESRZSA-N 0 0 349.456 2.415 40 0 EEABRN CC(=O)N1CCC(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000048230839 462876725 /nfs/dbraw/zinc/87/67/25/462876725.db2.gz MTQUXEHRJUIGEK-UHFFFAOYSA-N 0 0 334.803 2.243 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000013266985 462889100 /nfs/dbraw/zinc/88/91/00/462889100.db2.gz XSORBLBKQJNOSA-UHFFFAOYSA-N 0 0 328.391 2.068 40 0 EEABRN COCc1nn2c(nnc3c2CCCC3=O)c1-c1ccc(OC)cc1 ZINC000013639416 462898757 /nfs/dbraw/zinc/89/87/57/462898757.db2.gz DDHVMUOJNYYDPI-UHFFFAOYSA-N 0 0 338.367 2.465 40 0 EEABRN Cc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1C ZINC000014411699 462927486 /nfs/dbraw/zinc/92/74/86/462927486.db2.gz XMFVZVVRIGRKED-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN COc1ccc(CN(Cc2nccn2C(F)F)S(C)(=O)=O)cc1 ZINC000092334426 462945543 /nfs/dbraw/zinc/94/55/43/462945543.db2.gz NDKMCSCKZUBBFC-UHFFFAOYSA-N 0 0 345.371 2.249 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1Cc2[nH]cnc2CN1Cc1cccs1 ZINC000015676304 462960423 /nfs/dbraw/zinc/96/04/23/462960423.db2.gz AUSCEBGHMBKJPD-INIZCTEOSA-N 0 0 342.424 2.308 40 0 biogenic,in-vitro EEABRN COc1cccc(CN2CCN(C(=O)c3cnc(C)cn3)[C@@H](C)C2)c1 ZINC000019238928 463016172 /nfs/dbraw/zinc/01/61/72/463016172.db2.gz FYLNIWWLDBCPSG-HNNXBMFYSA-N 0 0 340.427 2.140 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000157064563 463095182 /nfs/dbraw/zinc/09/51/82/463095182.db2.gz ZOBLQDZYVOMXPB-STQMWFEESA-N 0 0 330.388 2.102 40 0 EEABRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)Nc1cnccc1C ZINC000134949904 463099794 /nfs/dbraw/zinc/09/97/94/463099794.db2.gz JTQGJBAHBPFVKO-GFCCVEGCSA-N 0 0 343.431 2.466 40 0 EEABRN O=C(CSC1CCCC1)NCC1CCN(c2ncccn2)CC1 ZINC000096025852 463142322 /nfs/dbraw/zinc/14/23/22/463142322.db2.gz MDWNGWOBPDITJI-UHFFFAOYSA-N 0 0 334.489 2.485 40 0 EEABRN CCCn1ncc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1C1CC1 ZINC000157610818 463149114 /nfs/dbraw/zinc/14/91/14/463149114.db2.gz DKOXYQCVVXPHPI-MRXNPFEDSA-N 0 0 343.431 2.118 40 0 EEABRN Cn1ccnc1CN1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000096069548 463165669 /nfs/dbraw/zinc/16/56/69/463165669.db2.gz SODOFGDQWGJERQ-QGZVFWFLSA-N 0 0 338.455 2.401 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096073245 463167657 /nfs/dbraw/zinc/16/76/57/463167657.db2.gz ZICGLRCIZIXYTK-MRXNPFEDSA-N 0 0 341.411 2.263 40 0 EEABRN COc1cccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)c1OC ZINC000096098512 463172122 /nfs/dbraw/zinc/17/21/22/463172122.db2.gz CRCDPSPJTQFAMR-UHFFFAOYSA-N 0 0 330.388 2.429 40 0 EEABRN O[C@H](COc1ccccc1)CN1CCN(c2ccccc2F)CC1 ZINC000026781747 463172499 /nfs/dbraw/zinc/17/24/99/463172499.db2.gz FSIABKILWJIJDI-INIZCTEOSA-N 0 0 330.403 2.388 40 0 EEABRN COC[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c1cnn2C ZINC000096100092 463172721 /nfs/dbraw/zinc/17/27/21/463172721.db2.gz KBVQKAKYASAKSH-QGZVFWFLSA-N 0 0 339.439 2.297 40 0 EEABRN COC[C@@H]1COCCC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096106276 463174069 /nfs/dbraw/zinc/17/40/69/463174069.db2.gz QQRRPAFFTNCDSR-OAHLLOKOSA-N 0 0 339.457 2.140 40 0 EEABRN COC[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(OC)c(F)c1)C2 ZINC000096109145 463178321 /nfs/dbraw/zinc/17/83/21/463178321.db2.gz GEZBPFMJFYQAAT-WBMJQRKESA-N 0 0 343.420 2.272 40 0 EEABRN Cc1nc(CN2CC[C@]3(CCN(c4ncc(C)cn4)C3)C2=O)cs1 ZINC000096159446 463190857 /nfs/dbraw/zinc/19/08/57/463190857.db2.gz HFGBDJVDYJHHGK-QGZVFWFLSA-N 0 0 343.456 2.179 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161397 463191828 /nfs/dbraw/zinc/19/18/28/463191828.db2.gz YEZVQLRGOXJNAI-YJBOKZPZSA-N 0 0 326.421 2.494 40 0 EEABRN COCCN1c2ccccc2C2(CCN(c3ncccn3)CC2)C1=O ZINC000096161111 463192139 /nfs/dbraw/zinc/19/21/39/463192139.db2.gz NFBUAYTYEGMIFM-UHFFFAOYSA-N 0 0 338.411 2.008 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000096181924 463194243 /nfs/dbraw/zinc/19/42/43/463194243.db2.gz KAHHZMGCZUKYFU-AEFFLSMTSA-N 0 0 341.386 2.447 40 0 EEABRN O=C(c1ccc(F)cc1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185062 463196422 /nfs/dbraw/zinc/19/64/22/463196422.db2.gz AFXJALURGRHJSX-KSZLIROESA-N 0 0 342.370 2.277 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135760474 463196839 /nfs/dbraw/zinc/19/68/39/463196839.db2.gz VYKCQKXSVLXOJQ-TZMCWYRMSA-N 0 0 331.420 2.354 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 ZINC000096185378 463197301 /nfs/dbraw/zinc/19/73/01/463197301.db2.gz LANSQVLVEODAAA-KFWWJZLASA-N 0 0 344.440 2.127 40 0 EEABRN CCOC[C@@H]1Cn2ccnc2CN(C(=O)NCc2ccccc2)C1 ZINC000096187818 463199530 /nfs/dbraw/zinc/19/95/30/463199530.db2.gz XZNMSTDSZNGPEU-MRXNPFEDSA-N 0 0 328.416 2.261 40 0 EEABRN O=C(NC1CCCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC000096187935 463200786 /nfs/dbraw/zinc/20/07/86/463200786.db2.gz PMCFRGKAJBDKCU-HNNXBMFYSA-N 0 0 332.448 2.394 40 0 EEABRN CC(C)c1cc(C(=O)N2CCN(C)CC2)nc(N2CCCCCC2)n1 ZINC000096192030 463201229 /nfs/dbraw/zinc/20/12/29/463201229.db2.gz LWXATQYJPYTJRL-UHFFFAOYSA-N 0 0 345.491 2.368 40 0 EEABRN Cc1ccc(NCc2cncc3c2CCN(C(=O)NC(C)C)C3)nn1 ZINC000096189549 463201429 /nfs/dbraw/zinc/20/14/29/463201429.db2.gz VVLKGWVKSGMZMI-UHFFFAOYSA-N 0 0 340.431 2.268 40 0 EEABRN COC[C@@H]1CN(C(=O)c2c(C)noc2C)Cc2cn(CC3CC3)nc21 ZINC000096198145 463204636 /nfs/dbraw/zinc/20/46/36/463204636.db2.gz GPNBNYQFKSJGKH-HNNXBMFYSA-N 0 0 344.415 2.284 40 0 EEABRN c1csc(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)n1 ZINC000096207430 463209593 /nfs/dbraw/zinc/20/95/93/463209593.db2.gz SBJVRNFQQVSZAL-CQSZACIVSA-N 0 0 341.440 2.446 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096215066 463213378 /nfs/dbraw/zinc/21/33/78/463213378.db2.gz FFWJEJVRFKCNLI-YNEHKIRRSA-N 0 0 333.413 2.220 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)cs1 ZINC000096217836 463215151 /nfs/dbraw/zinc/21/51/51/463215151.db2.gz YARIICSCUWYPTJ-CYBMUJFWSA-N 0 0 332.381 2.394 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096239591 463224401 /nfs/dbraw/zinc/22/44/01/463224401.db2.gz GXLVZXJZADPFTQ-INIZCTEOSA-N 0 0 347.369 2.183 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000096240771 463225954 /nfs/dbraw/zinc/22/59/54/463225954.db2.gz YKRGQPNGMQPBHG-ZDUSSCGKSA-N 0 0 336.457 2.142 40 0 EEABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000028641217 463228087 /nfs/dbraw/zinc/22/80/87/463228087.db2.gz FNYFHJKMEZCGRD-UHFFFAOYSA-N 0 0 340.426 2.167 40 0 EEABRN Cc1nc(CN2CCCn3c(CN(C)C(C)C)nnc3C2)cs1 ZINC000096259712 463229592 /nfs/dbraw/zinc/22/95/92/463229592.db2.gz GITVXSOJWODUPE-UHFFFAOYSA-N 0 0 334.493 2.289 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096378284 463237265 /nfs/dbraw/zinc/23/72/65/463237265.db2.gz NIHJYFPJGRUKPB-UHFFFAOYSA-N 0 0 339.432 2.327 40 0 EEABRN O=C([C@H]1CCOc2ccccc21)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000096403816 463238177 /nfs/dbraw/zinc/23/81/77/463238177.db2.gz FEWHOMJJJXGYMB-WMZOPIPTSA-N 0 0 336.391 2.252 40 0 EEABRN O=C(NC1(c2nccs2)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000096407316 463240145 /nfs/dbraw/zinc/24/01/45/463240145.db2.gz CJBBBFODMDOUMW-UHFFFAOYSA-N 0 0 340.412 2.318 40 0 EEABRN COc1ccc(NC(=O)NC[C@H](c2cnn(C)c2)N(C)C)cc1C ZINC000096410610 463243895 /nfs/dbraw/zinc/24/38/95/463243895.db2.gz GWOTWFWDWGVOFC-OAHLLOKOSA-N 0 0 331.420 2.162 40 0 EEABRN O=C(CCn1cc(Br)ccc1=O)Nc1ccccc1O ZINC000096411819 463244989 /nfs/dbraw/zinc/24/49/89/463244989.db2.gz RNZNAHBHLZUOKH-UHFFFAOYSA-N 0 0 337.173 2.345 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415211 463248285 /nfs/dbraw/zinc/24/82/85/463248285.db2.gz NPOCXXAQKXTJAK-ZJUUUORDSA-N 0 0 349.378 2.142 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)[C@@H]2CCOc3ccccc32)c1 ZINC000096418784 463250708 /nfs/dbraw/zinc/25/07/08/463250708.db2.gz UIMNRQNFXGMNCO-QGZVFWFLSA-N 0 0 338.407 2.271 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000096426118 463255894 /nfs/dbraw/zinc/25/58/94/463255894.db2.gz SPGHBCIGBARZEJ-OAQYLSRUSA-N 0 0 344.502 2.486 40 0 EEABRN CCOc1ccccc1N1CCN(c2ncccc2C(=O)NC)CC1 ZINC000096427276 463256732 /nfs/dbraw/zinc/25/67/32/463256732.db2.gz VBRSBUUEXKERRL-UHFFFAOYSA-N 0 0 340.427 2.167 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@@H](C)c2c(F)cccc2OC)cn1 ZINC000096428544 463257813 /nfs/dbraw/zinc/25/78/13/463257813.db2.gz GWDCNTWVEMPRBJ-JTQLQIEISA-N 0 0 327.381 2.090 40 0 EEABRN COc1cccc(-c2noc([C@H](C)NC(=O)c3c[nH]nc3C)n2)c1 ZINC000096432756 463261295 /nfs/dbraw/zinc/26/12/95/463261295.db2.gz CGENXDSQNLDNCH-JTQLQIEISA-N 0 0 327.344 2.268 40 0 EEABRN CC[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)nc2)CCS1 ZINC000096437676 463265882 /nfs/dbraw/zinc/26/58/82/463265882.db2.gz ODGHMDAJMKNNBA-CQSZACIVSA-N 0 0 331.445 2.304 40 0 EEABRN O=C(NCCCc1cccc(F)c1)N1CCN(Cc2ccon2)CC1 ZINC000096440058 463266336 /nfs/dbraw/zinc/26/63/36/463266336.db2.gz QLOIAOQRCVSTOF-UHFFFAOYSA-N 0 0 346.406 2.274 40 0 EEABRN CN(Cc1ccc(F)cc1)C(=O)CNc1ccc(-n2cncn2)cc1 ZINC000096453328 463274610 /nfs/dbraw/zinc/27/46/10/463274610.db2.gz MRWPQNNXASDYIO-UHFFFAOYSA-N 0 0 339.374 2.477 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)c2c(C)nc(C(C)C)[nH]c2=O)c(C)o1 ZINC000096459306 463276836 /nfs/dbraw/zinc/27/68/36/463276836.db2.gz UMTRUKBLCLXLTM-GOSISDBHSA-N 0 0 347.415 2.049 40 0 EEABRN CC(C)C[C@@H]1CCCN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C1 ZINC000096468415 463278152 /nfs/dbraw/zinc/27/81/52/463278152.db2.gz JXHWYOZZDYSQFT-RDJZCZTQSA-N 0 0 335.496 2.491 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000096470047 463278402 /nfs/dbraw/zinc/27/84/02/463278402.db2.gz JHLLDZUDVLEVHA-GOSISDBHSA-N 0 0 328.416 2.484 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1N(C)C ZINC000096472796 463278830 /nfs/dbraw/zinc/27/88/30/463278830.db2.gz WJCJNAAKNZGXMH-AWEZNQCLSA-N 0 0 348.472 2.352 40 0 EEABRN CC[C@@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)c1noc(C)n1 ZINC000096472777 463279254 /nfs/dbraw/zinc/27/92/54/463279254.db2.gz QTPQWWSFMGCJGR-CYBMUJFWSA-N 0 0 338.433 2.182 40 0 EEABRN Cc1cccc(C)c1NC(=O)CCCN1CCN(C(=O)N(C)C)CC1 ZINC000096479698 463280950 /nfs/dbraw/zinc/28/09/50/463280950.db2.gz YBYIXOLCDWXDPE-UHFFFAOYSA-N 0 0 346.475 2.321 40 0 EEABRN Cn1cc(CNC(=O)Nc2nnc3ccccn32)c(-c2ccccc2)n1 ZINC000096501327 463292072 /nfs/dbraw/zinc/29/20/72/463292072.db2.gz BVRYNRXHGMJHID-UHFFFAOYSA-N 0 0 347.382 2.452 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccccc1F ZINC000096519760 463294185 /nfs/dbraw/zinc/29/41/85/463294185.db2.gz HOUDFNNNMLKYOG-IUCAKERBSA-N 0 0 331.590 2.191 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)c2ccc(O)cc2F)[C@H]1c1ccc(F)cc1 ZINC000097100814 463323740 /nfs/dbraw/zinc/32/37/40/463323740.db2.gz MVVYLQDWPIJVOE-NVXWUHKLSA-N 0 0 346.333 2.372 40 0 EEABRN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCc1nc2ccccc2s1 ZINC000097104472 463325525 /nfs/dbraw/zinc/32/55/25/463325525.db2.gz VXWPNCCIUJELEO-SMDDNHRTSA-N 0 0 340.470 2.326 40 0 EEABRN CCOC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000070635280 463376539 /nfs/dbraw/zinc/37/65/39/463376539.db2.gz QSVNNRJCSAKJIR-AWEZNQCLSA-N 0 0 329.404 2.059 40 0 EEABRN CCC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000033629124 463424292 /nfs/dbraw/zinc/42/42/92/463424292.db2.gz GVSGFCNEOLTYAX-ZDUSSCGKSA-N 0 0 326.462 2.222 40 0 EEABRN Nc1nn(CC(=O)c2cccc(F)c2)c(=S)n1Nc1ccco1 ZINC000036625669 463437718 /nfs/dbraw/zinc/43/77/18/463437718.db2.gz VAMAULKKYDKJGA-UHFFFAOYSA-N 0 0 333.348 2.486 40 0 EEABRN CC[C@@H](O)CN1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161760029 463455232 /nfs/dbraw/zinc/45/52/32/463455232.db2.gz FBBWSUKKTDUOID-QGZVFWFLSA-N 0 0 327.428 2.072 40 0 EEABRN COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(C)cc2)cc1OC ZINC000072227050 463483956 /nfs/dbraw/zinc/48/39/56/463483956.db2.gz QNFGNEKYGDXYBN-QZTJIDSGSA-N 0 0 326.396 2.423 40 0 EEABRN CN(Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000058013678 463535359 /nfs/dbraw/zinc/53/53/59/463535359.db2.gz NEUAFUQVQFGNMV-LBPRGKRZSA-N 0 0 345.848 2.120 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cs1 ZINC000107786149 463584032 /nfs/dbraw/zinc/58/40/32/463584032.db2.gz DPAQIXHOIHDGST-CZUORRHYSA-N 0 0 349.435 2.226 40 0 EEABRN COCCN1CC[C@]2(CCCN(C(=O)c3occc3C)CC2)C1=O ZINC000108536023 463611119 /nfs/dbraw/zinc/61/11/19/463611119.db2.gz IDLORMHOXWWBCN-GOSISDBHSA-N 0 0 334.416 2.079 40 0 EEABRN C[C@H]1Cc2c(NC(=O)c3ccc4ccccc4n3)nn(C)c2NC1=O ZINC000044213429 463670545 /nfs/dbraw/zinc/67/05/45/463670545.db2.gz XUZNPZRYKRJCEV-JTQLQIEISA-N 0 0 335.367 2.351 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 ZINC000257285277 463761303 /nfs/dbraw/zinc/76/13/03/463761303.db2.gz PGKJMPIDFQNMGG-HNNXBMFYSA-N 0 0 342.399 2.174 40 0 EEABRN Cc1ccnc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257293725 463765806 /nfs/dbraw/zinc/76/58/06/463765806.db2.gz QQWUZIOJESYWDD-KRWDZBQOSA-N 0 0 337.379 2.161 40 0 EEABRN CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)NC2CCCCCC2)C1 ZINC000257294764 463765980 /nfs/dbraw/zinc/76/59/80/463765980.db2.gz QVQANXCISVHQAS-HNNXBMFYSA-N 0 0 344.459 2.340 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCN1c1cccc(C)n1 ZINC000257310341 463771854 /nfs/dbraw/zinc/77/18/54/463771854.db2.gz UERPQQYSENLYGS-OAHLLOKOSA-N 0 0 327.432 2.058 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)on1 ZINC000257310575 463773716 /nfs/dbraw/zinc/77/37/16/463773716.db2.gz UFSDUMAJVFFQFP-CYBMUJFWSA-N 0 0 341.371 2.353 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1 ZINC000257315408 463774820 /nfs/dbraw/zinc/77/48/20/463774820.db2.gz VBEJLJXHMGFIKI-KRWDZBQOSA-N 0 0 327.384 2.145 40 0 EEABRN Cc1csc(-c2cccc(C[C@@H]3CCN(S(C)(=O)=O)C3)n2)n1 ZINC000257321287 463776419 /nfs/dbraw/zinc/77/64/19/463776419.db2.gz WAZAELWDCHJBIE-LBPRGKRZSA-N 0 0 337.470 2.338 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257336558 463784412 /nfs/dbraw/zinc/78/44/12/463784412.db2.gz YOYYTJNEVDJRSP-LLVKDONJSA-N 0 0 349.822 2.462 40 0 EEABRN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1ccccn1 ZINC000185592180 463847154 /nfs/dbraw/zinc/84/71/54/463847154.db2.gz IGBIEOZCABJLTL-OAHLLOKOSA-N 0 0 328.347 2.234 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c(=O)c1 ZINC000194811444 463933458 /nfs/dbraw/zinc/93/34/58/463933458.db2.gz ICEMJXFGHRIQHI-HUUCEWRRSA-N 0 0 346.452 2.333 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c(=O)c1 ZINC000194840478 463941084 /nfs/dbraw/zinc/94/10/84/463941084.db2.gz FJFQHCWPXLEXKV-DZGCQCFKSA-N 0 0 332.425 2.207 40 0 EEABRN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1Cl ZINC000195531604 464071499 /nfs/dbraw/zinc/07/14/99/464071499.db2.gz WKACAFUZWGHEDL-RBSFLKMASA-N 0 0 349.814 2.169 40 0 EEABRN CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000195535559 464073453 /nfs/dbraw/zinc/07/34/53/464073453.db2.gz SHVABOGRMBHZLE-ZYZMLOSQSA-N 0 0 343.537 2.240 40 0 EEABRN C[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000195550138 464074288 /nfs/dbraw/zinc/07/42/88/464074288.db2.gz WVCAEDIUUSRPOA-CQSZACIVSA-N 0 0 346.398 2.094 40 0 EEABRN CC(C)CNS(=O)(=O)c1ccc(CNc2ncc(F)cn2)cc1 ZINC000195546294 464074883 /nfs/dbraw/zinc/07/48/83/464074883.db2.gz ZQQAQOLIESNDEL-UHFFFAOYSA-N 0 0 338.408 2.162 40 0 EEABRN O=C1O[C@@H](Cn2cnc3ccsc3c2=O)CN1c1ccccc1 ZINC000195565857 464078928 /nfs/dbraw/zinc/07/89/28/464078928.db2.gz ZLJKYRZVPWQNQM-LBPRGKRZSA-N 0 0 327.365 2.483 40 0 EEABRN CC(C)(C)[C@@H]1CN(CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356068 464091511 /nfs/dbraw/zinc/09/15/11/464091511.db2.gz QSMDSILTCKRYBY-INIZCTEOSA-N 0 0 325.474 2.348 40 0 EEABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO ZINC000223584998 464143506 /nfs/dbraw/zinc/14/35/06/464143506.db2.gz POUAUQXDTDGNSR-HZPDHXFCSA-N 0 0 330.457 2.429 40 0 EEABRN CCCCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000224000776 464148595 /nfs/dbraw/zinc/14/85/95/464148595.db2.gz DLNKVJMZTRUIRH-UHFFFAOYSA-N 0 0 326.462 2.063 40 0 EEABRN O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc2c(c1)OCO2 ZINC000224207511 464149811 /nfs/dbraw/zinc/14/98/11/464149811.db2.gz ODTKZULBHPMWRO-UHFFFAOYSA-N 0 0 340.383 2.126 40 0 EEABRN CCCCNc1cc(N2CCO[C@@H](c3cnn(CC)c3)C2)nc(N)n1 ZINC000225473604 464163340 /nfs/dbraw/zinc/16/33/40/464163340.db2.gz AFQYHRARNBQGPR-CQSZACIVSA-N 0 0 345.451 2.065 40 0 EEABRN O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225475186 464164154 /nfs/dbraw/zinc/16/41/54/464164154.db2.gz PMMUIIQBRSQJAL-QAPCUYQASA-N 0 0 339.395 2.160 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000225493163 464166384 /nfs/dbraw/zinc/16/63/84/464166384.db2.gz OQWFXJVWIGGDLL-CYBMUJFWSA-N 0 0 331.372 2.379 40 0 EEABRN COC(=O)c1ccc(C)c(NC(=S)NCCCn2ccnc2)c1 ZINC000225520886 464167427 /nfs/dbraw/zinc/16/74/27/464167427.db2.gz YCXWDGZLCPAVFX-UHFFFAOYSA-N 0 0 332.429 2.355 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCCC2)ncn1 ZINC000225535234 464169507 /nfs/dbraw/zinc/16/95/07/464169507.db2.gz FFGKKQKIPYEIDD-UHFFFAOYSA-N 0 0 326.356 2.100 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225526467 464169769 /nfs/dbraw/zinc/16/97/69/464169769.db2.gz JSXCRQAPFLSLIP-BXUZGUMPSA-N 0 0 329.400 2.476 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@H](N2C(=O)[C@@H]3CCCN3C2=O)C1 ZINC000225556931 464170337 /nfs/dbraw/zinc/17/03/37/464170337.db2.gz ZAAPBERQMJYCFQ-STQMWFEESA-N 0 0 349.818 2.354 40 0 EEABRN CCNC(=O)N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000225592111 464173247 /nfs/dbraw/zinc/17/32/47/464173247.db2.gz NQRSVQDIQFKVOM-UHFFFAOYSA-N 0 0 347.644 2.349 40 0 EEABRN O=S(=O)(Cc1cc(F)ccc1F)NCc1cnn2c1CCCC2 ZINC000225613030 464175712 /nfs/dbraw/zinc/17/57/12/464175712.db2.gz ZYZKLQTYIUKEFC-UHFFFAOYSA-N 0 0 341.383 2.117 40 0 EEABRN C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)CCC(F)(F)F ZINC000225603236 464175775 /nfs/dbraw/zinc/17/57/75/464175775.db2.gz OCTDFRGKBUZSDK-SNVBAGLBSA-N 0 0 337.363 2.424 40 0 EEABRN Cc1nc(SCCNC(=O)c2conc2-c2ccccc2)n[nH]1 ZINC000225869643 464182571 /nfs/dbraw/zinc/18/25/71/464182571.db2.gz PPMHRORVXWGYLI-UHFFFAOYSA-N 0 0 329.385 2.290 40 0 EEABRN CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)cc1F ZINC000188148243 464210739 /nfs/dbraw/zinc/21/07/39/464210739.db2.gz UDJGSTLBMJDLBG-CYBMUJFWSA-N 0 0 329.322 2.482 40 0 EEABRN O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000240668593 464447678 /nfs/dbraw/zinc/44/76/78/464447678.db2.gz HNQVXNIJOWFRNG-RISCZKNCSA-N 0 0 337.782 2.484 40 0 EEABRN COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(C)o1 ZINC000175678299 464600405 /nfs/dbraw/zinc/60/04/05/464600405.db2.gz BISCQJSDOMVHSM-UXLLHSPISA-N 0 0 330.384 2.233 40 0 EEABRN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C ZINC000175777953 464622833 /nfs/dbraw/zinc/62/28/33/464622833.db2.gz ZAWLXCPLRJIFGI-MRXNPFEDSA-N 0 0 342.447 2.027 40 0 EEABRN Fc1cnc(N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)nc1 ZINC000247559737 464694455 /nfs/dbraw/zinc/69/44/55/464694455.db2.gz YIEZAJQQEUWRKG-XIRDDKMYSA-N 0 0 344.390 2.069 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247838987 464709342 /nfs/dbraw/zinc/70/93/42/464709342.db2.gz DURUDRUXQXIVIZ-OAHLLOKOSA-N 0 0 337.441 2.423 40 0 EEABRN Cc1csc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)n1 ZINC000247966868 464717875 /nfs/dbraw/zinc/71/78/75/464717875.db2.gz QTOGYBGTUGCOOW-HNNXBMFYSA-N 0 0 345.472 2.217 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC000248090563 464729590 /nfs/dbraw/zinc/72/95/90/464729590.db2.gz CEAHPMNCCSPHRP-GUDVDZBRSA-N 0 0 342.443 2.011 40 0 EEABRN C[C@H](OC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 ZINC000248128461 464732478 /nfs/dbraw/zinc/73/24/78/464732478.db2.gz MKXVKAIAILRACN-ZLIFDBKOSA-N 0 0 337.383 2.409 40 0 EEABRN O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000274913497 464759808 /nfs/dbraw/zinc/75/98/08/464759808.db2.gz YGMPSFODIWYXAY-GFCCVEGCSA-N 0 0 348.453 2.346 40 0 EEABRN C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)CCS(=O)(=O)C1 ZINC000192155085 464877273 /nfs/dbraw/zinc/87/72/73/464877273.db2.gz DHPIGKMEEIJBGF-LBPRGKRZSA-N 0 0 336.413 2.009 40 0 EEABRN CCOc1ccccc1N1CCN(C(=O)Nc2cnns2)CC1 ZINC000192327480 464907425 /nfs/dbraw/zinc/90/74/25/464907425.db2.gz MEWYUKMJWATDSC-UHFFFAOYSA-N 0 0 333.417 2.291 40 0 EEABRN CCC1(CC)Oc2ccc(NC(=O)N[C@]3(CO)CCOC3)cc2O1 ZINC000276381119 464910895 /nfs/dbraw/zinc/91/08/95/464910895.db2.gz SKPXGTINYWZNMP-INIZCTEOSA-N 0 0 336.388 2.247 40 0 EEABRN CC(C)(C)n1ncnc1CNC(=O)NCC(C)(C)c1ccncc1 ZINC000252489377 464966708 /nfs/dbraw/zinc/96/67/08/464966708.db2.gz JPTZDKOPVJUSPS-UHFFFAOYSA-N 0 0 330.436 2.205 40 0 EEABRN CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000252500302 464971170 /nfs/dbraw/zinc/97/11/70/464971170.db2.gz SRUGBZYUHSMWSG-HZPDHXFCSA-N 0 0 346.475 2.197 40 0 EEABRN CCN1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2CCC1=O ZINC000252508246 464975478 /nfs/dbraw/zinc/97/54/78/464975478.db2.gz XIAHIVZTWDBNTJ-ZDUSSCGKSA-N 0 0 336.457 2.406 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000192696266 464978654 /nfs/dbraw/zinc/97/86/54/464978654.db2.gz QWXVIXLOIVNCJR-GZBFAFLISA-N 0 0 330.432 2.027 40 0 EEABRN COC(=O)[C@H](CNC(=O)Cc1c(C)noc1C)c1ccc(F)cc1 ZINC000192713840 464983273 /nfs/dbraw/zinc/98/32/73/464983273.db2.gz YLKKHKOIYSQRPZ-OAHLLOKOSA-N 0 0 334.347 2.046 40 0 EEABRN COC(=O)[C@H](c1ccsc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000253396386 465000997 /nfs/dbraw/zinc/00/09/97/465000997.db2.gz BJPRTZVZIAVYKD-CVEARBPZSA-N 0 0 338.473 2.149 40 0 EEABRN COc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4OCCO[C@@H]4C3)[nH]c2c1 ZINC000253397884 465001584 /nfs/dbraw/zinc/00/15/84/465001584.db2.gz GEQCVJXJNHOMRJ-CSMYWGQOSA-N 0 0 330.384 2.243 40 0 EEABRN CCn1cnc2c1ncnc2N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000253415585 465004901 /nfs/dbraw/zinc/00/49/01/465004901.db2.gz ZUQRBQPYTOMNLZ-SMDDNHRTSA-N 0 0 345.353 2.437 40 0 EEABRN COC(=O)c1occc1CN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000253418315 465005781 /nfs/dbraw/zinc/00/57/81/465005781.db2.gz HBRIRKINJZHTPC-UHFFFAOYSA-N 0 0 334.416 2.433 40 0 EEABRN C[C@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000276637113 465011068 /nfs/dbraw/zinc/01/10/68/465011068.db2.gz MZHSLJZNWNYQJJ-SSDOTTSWSA-N 0 0 330.772 2.335 40 0 EEABRN O=C(NC[C@H]1CCCN1c1cccnn1)c1ccc2ccccc2n1 ZINC000253426817 465011815 /nfs/dbraw/zinc/01/18/15/465011815.db2.gz RMBUJXKUEAZBJF-OAHLLOKOSA-N 0 0 333.395 2.424 40 0 EEABRN O=S(=O)(N[C@@H]1CCn2nccc2C1)c1cccc(C(F)(F)F)c1 ZINC000253471557 465015365 /nfs/dbraw/zinc/01/53/65/465015365.db2.gz DGNCKHMULFACIC-LLVKDONJSA-N 0 0 345.346 2.195 40 0 EEABRN Cc1cnc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 ZINC000253432601 465015398 /nfs/dbraw/zinc/01/53/98/465015398.db2.gz LOPSCEVKUFSUIA-HKUYNNGSSA-N 0 0 343.402 2.428 40 0 EEABRN C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000330976018 465881476 /nfs/dbraw/zinc/88/14/76/465881476.db2.gz UCHHOLLGNPCBBJ-CHWSQXEVSA-N 0 0 331.478 2.054 40 0 EEABRN Cc1cccc(COC[C@@H]2CN(c3ncccn3)Cc3cncn32)n1 ZINC000306123420 466487574 /nfs/dbraw/zinc/48/75/74/466487574.db2.gz AMPWSSGGCWWRKH-KRWDZBQOSA-N 0 0 336.399 2.155 40 0 EEABRN O=C(CN1C(=O)N/C(=C/c2ccsc2)C1=O)Nc1ccccc1F ZINC000409210814 466686469 /nfs/dbraw/zinc/68/64/69/466686469.db2.gz GVMKTQXMQQUFGK-NTUHNPAUSA-N 0 0 345.355 2.419 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)COc3ccccc3F)C2)n1 ZINC000390828342 467412328 /nfs/dbraw/zinc/41/23/28/467412328.db2.gz QMTNKBQEEIBJTC-CQSZACIVSA-N 0 0 345.374 2.291 40 0 EEABRN O=C([C@@H]1CC=CCC1)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390830263 467413326 /nfs/dbraw/zinc/41/33/26/467413326.db2.gz JUSTTYOEXWJKBE-CQSZACIVSA-N 0 0 338.411 2.311 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C)cn1 ZINC000390834189 467414162 /nfs/dbraw/zinc/41/41/62/467414162.db2.gz UJBZNUZWQYPZET-LBPRGKRZSA-N 0 0 346.408 2.176 40 0 EEABRN COC(=O)c1ccc([C@@H](NC(=O)Nc2cc[nH]n2)C(F)(F)F)cc1 ZINC000390835605 467415090 /nfs/dbraw/zinc/41/50/90/467415090.db2.gz SCWHBYAKNMHPBJ-LLVKDONJSA-N 0 0 342.277 2.621 40 0 EEABRN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(=O)[nH]c1 ZINC000575607578 468146844 /nfs/dbraw/zinc/14/68/44/468146844.db2.gz NTFKIXXFNDTCAJ-UHFFFAOYSA-N 0 0 338.314 2.393 40 0 EEABRN Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)[nH]n1 ZINC000585096849 468964391 /nfs/dbraw/zinc/96/43/91/468964391.db2.gz BQSFWKRPHJMTOM-AWEZNQCLSA-N 0 0 344.463 2.073 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000585100882 468969104 /nfs/dbraw/zinc/96/91/04/468969104.db2.gz MYKATESBJALKDL-WINAAZSOSA-N 0 0 334.391 2.359 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](OCc2ccccn2)CS3)n(C)n1 ZINC000585103413 468970211 /nfs/dbraw/zinc/97/02/11/468970211.db2.gz AYXPHAYKSUVXHR-QGZVFWFLSA-N 0 0 344.484 2.400 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(Cl)cc1)C2 ZINC000585104310 468971648 /nfs/dbraw/zinc/97/16/48/468971648.db2.gz YLRVTNQWYGUFAB-CQSZACIVSA-N 0 0 343.876 2.366 40 0 EEABRN CN(C)C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 ZINC000585104281 468972359 /nfs/dbraw/zinc/97/23/59/468972359.db2.gz GPAVGZYBZDIEEI-HNNXBMFYSA-N 0 0 333.432 2.403 40 0 EEABRN CN1c2ccc(NC(=O)C3CC(F)C3)cc2C2(CCOCC2)C1=O ZINC000585106375 468972388 /nfs/dbraw/zinc/97/23/88/468972388.db2.gz LAXLGDLJAOSLCE-UHFFFAOYSA-N 0 0 332.375 2.398 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1ccsc1)C2 ZINC000585110892 468973400 /nfs/dbraw/zinc/97/34/00/468973400.db2.gz VCUPFDDNUGXZFM-OAHLLOKOSA-N 0 0 344.484 2.497 40 0 EEABRN O=C(C1CC(F)C1)N1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000585110509 468973504 /nfs/dbraw/zinc/97/35/04/468973504.db2.gz TUJNXKMQZYEGTB-UHFFFAOYSA-N 0 0 326.375 2.214 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000585110769 468973820 /nfs/dbraw/zinc/97/38/20/468973820.db2.gz DDFOYNHNBXGPLW-HNNXBMFYSA-N 0 0 330.407 2.183 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112369 468974485 /nfs/dbraw/zinc/97/44/85/468974485.db2.gz OYXGSIZQJLYKEW-KRWDZBQOSA-N 0 0 327.432 2.020 40 0 EEABRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC000585140549 468988359 /nfs/dbraw/zinc/98/83/59/468988359.db2.gz HCBSGLWACZXEMP-BZNIZROVSA-N 0 0 348.424 2.273 40 0 EEABRN COCc1cn([C@H]2CCN(C(=O)Cc3ccccc3Cl)C2)nn1 ZINC000585149683 468994473 /nfs/dbraw/zinc/99/44/73/468994473.db2.gz OOEFMWQNOMVEKK-AWEZNQCLSA-N 0 0 334.807 2.094 40 0 EEABRN Cc1ccn(CCC(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000585182297 468995818 /nfs/dbraw/zinc/99/58/18/468995818.db2.gz DFCRJXXEYPEPLR-INIZCTEOSA-N 0 0 327.432 2.070 40 0 EEABRN O=C(Cc1ccccc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000585269366 468997250 /nfs/dbraw/zinc/99/72/50/468997250.db2.gz QLHQKDNRBZCTTB-HXUWFJFHSA-N 0 0 343.398 2.201 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCN(C(=O)CCCn3cccn3)C2)cc1 ZINC000585271498 468997709 /nfs/dbraw/zinc/99/77/09/468997709.db2.gz HBRPBWYORYOSJD-IBGZPJMESA-N 0 0 343.427 2.014 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2ncccn2)C1 ZINC000585275311 468998847 /nfs/dbraw/zinc/99/88/47/468998847.db2.gz AIKZQXNUUAPUNS-SFHVURJKSA-N 0 0 327.384 2.095 40 0 EEABRN O=C(CCCn1cccn1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585272200 468999214 /nfs/dbraw/zinc/99/92/14/468999214.db2.gz LXBWJFCFQBGDDB-ROUUACIJSA-N 0 0 327.428 2.258 40 0 EEABRN Cc1nccn1CCCC(=O)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585275575 468999710 /nfs/dbraw/zinc/99/97/10/468999710.db2.gz GWGQQZYKNIXOSH-LJQANCHMSA-N 0 0 343.427 2.014 40 0 EEABRN O=C(CN1CC[C@H](Cc2ccccc2F)[C@H](O)C1)NC1CCCC1 ZINC000585278954 469004764 /nfs/dbraw/zinc/00/47/64/469004764.db2.gz JMXLKCHBJWDOOC-CRAIPNDOSA-N 0 0 334.435 2.110 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278828 469004839 /nfs/dbraw/zinc/00/48/39/469004839.db2.gz HBLZSTMAJSIIMX-QZTJIDSGSA-N 0 0 327.428 2.034 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Cc1ccccc1F ZINC000585279526 469005917 /nfs/dbraw/zinc/00/59/17/469005917.db2.gz NRYBDDWAYQAXCM-WBVHZDCISA-N 0 0 331.391 2.128 40 0 EEABRN CO[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585279861 469006572 /nfs/dbraw/zinc/00/65/72/469006572.db2.gz RBNQWGBEPPLBIS-NVXWUHKLSA-N 0 0 341.411 2.210 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)C[C@H]1O ZINC000585288440 469009392 /nfs/dbraw/zinc/00/93/92/469009392.db2.gz AKCGNSDTFAQTDF-WXYTYNPNSA-N 0 0 325.412 2.183 40 0 EEABRN CCc1nc(CN[C@@H]2CC[C@@H](Oc3ccc(Cl)cc3)[C@H]2O)no1 ZINC000585286771 469009412 /nfs/dbraw/zinc/00/94/12/469009412.db2.gz UTOVGELEXWQASD-IOASZLSFSA-N 0 0 337.807 2.346 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cnn(C)c3)[C@H]2O)c1 ZINC000585286096 469009436 /nfs/dbraw/zinc/00/94/36/469009436.db2.gz JBXLGALALXEZIN-ZTFGCOKTSA-N 0 0 343.427 2.067 40 0 EEABRN Cc1cc([C@@H](NC(=O)N2CCC(O)(CO)CC2)C2CC2)ccc1F ZINC000664545789 471789912 /nfs/dbraw/zinc/78/99/12/471789912.db2.gz VGXZYSDVMBCSJW-INIZCTEOSA-N 0 0 336.407 2.114 40 0 EEABRN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@H](O)CC(F)(F)F ZINC000189345211 534127402 /nfs/dbraw/zinc/12/74/02/534127402.db2.gz ITKCKRVVXKBDBT-SNVBAGLBSA-N 0 0 325.290 2.271 40 0 EEABRN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190041408 534251924 /nfs/dbraw/zinc/25/19/24/534251924.db2.gz IWQNXWUZVJYAAJ-BDAKNGLRSA-N 0 0 348.296 2.419 40 0 EEABRN CC(C)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012144251 519477717 /nfs/dbraw/zinc/47/77/17/519477717.db2.gz YXNMPMRWGZHPCO-UHFFFAOYSA-N 0 0 342.443 2.190 40 0 EEABRN Cc1cn(CC(=O)N2CCC[C@@H](COc3ccccc3C)C2)nn1 ZINC000019237353 525910225 /nfs/dbraw/zinc/91/02/25/525910225.db2.gz BZPFAMOJJSZRPR-MRXNPFEDSA-N 0 0 328.416 2.213 40 0 EEABRN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000189755502 526647422 /nfs/dbraw/zinc/64/74/22/526647422.db2.gz HYIPMQVWSZQCKB-ZFWWWQNUSA-N 0 0 334.468 2.040 40 0 EEABRN CCOC(=O)c1c(I)cnn1CC(F)(F)F ZINC000408716988 528130156 /nfs/dbraw/zinc/13/01/56/528130156.db2.gz UJZGGQLXMIFCKP-UHFFFAOYSA-N 0 0 348.062 2.227 40 0 EEABRN CC(C)Oc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1 ZINC000225952784 535011570 /nfs/dbraw/zinc/01/15/70/535011570.db2.gz WWYFGBVQHIPFKB-MRXNPFEDSA-N 0 0 340.445 2.226 40 0 EEABRN CC1CCC(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000057439600 535264253 /nfs/dbraw/zinc/26/42/53/535264253.db2.gz BGJAIHZKXKLPSE-UHFFFAOYSA-N 0 0 331.460 2.209 40 0 EEABRN CCC[C@]12CCCN1C(=O)N(C1CCN(c3cccnn3)CC1)C2=O ZINC000241465998 535770585 /nfs/dbraw/zinc/77/05/85/535770585.db2.gz NTSYWLUSKVXTRM-GOSISDBHSA-N 0 0 343.431 2.042 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)ccn1 ZINC000257222092 536144846 /nfs/dbraw/zinc/14/48/46/536144846.db2.gz DRWAIHVWUYAUPK-INIZCTEOSA-N 0 0 327.432 2.177 40 0 EEABRN C[C@@H]1CC=C[C@@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000299816714 685363332 /nfs/dbraw/zinc/36/33/32/685363332.db2.gz NHAQNKDEUQPSIX-BYCMXARLSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN O=C(NCCCn1ccnc1)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972394 1352373689 /nfs/dbraw/zinc/37/36/89/1352373689.db2.gz ZJVDCTVLWKYVGR-UHFFFAOYSA-N 0 0 343.362 2.075 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C[C@H](O)COc2cccc(C)c2)cc1 ZINC000095117160 1357763849 /nfs/dbraw/zinc/76/38/49/1357763849.db2.gz KKHIINNEGOKERZ-INIZCTEOSA-N 0 0 349.452 2.364 40 0 EEABRN Cn1ccnc1CN1CCC2(CC(=O)N(Cc3ccccc3)O2)CC1 ZINC001549167524 1121134809 /nfs/dbraw/zinc/13/48/09/1121134809.db2.gz PRXQFBIJJHTBJV-UHFFFAOYSA-N 0 0 340.427 2.119 40 0 EEABRN COc1cccc(N2Cc3nn(Cc4ccccc4)c(=O)n3C2=O)c1 ZINC001547200985 1124226529 /nfs/dbraw/zinc/22/65/29/1124226529.db2.gz FQVCEIIVAFTDIQ-UHFFFAOYSA-N 0 0 336.351 2.090 40 0 EEABRN COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2ccco2)c1=O ZINC001547208863 1124226663 /nfs/dbraw/zinc/22/66/63/1124226663.db2.gz RBGPXLYKKAOYDO-CYBMUJFWSA-N 0 0 349.383 2.187 40 0 EEABRN NS(=O)(=O)CCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000054837824 214257493 /nfs/dbraw/zinc/25/74/93/214257493.db2.gz VVEQAPKBGYYWIK-UHFFFAOYSA-N 0 0 348.453 2.449 40 0 EEABRN O=C(c1ccco1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000097953789 219064736 /nfs/dbraw/zinc/06/47/36/219064736.db2.gz KSXUYIASCPYCDV-OIISXLGYSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(C1CC=CC1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000097953717 219065256 /nfs/dbraw/zinc/06/52/56/219065256.db2.gz NFPPIWQRCYWMLO-RCCFBDPRSA-N 0 0 328.412 2.323 40 0 EEABRN CCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1 ZINC000004510588 210208726 /nfs/dbraw/zinc/20/87/26/210208726.db2.gz CVWOEDLGGLOVQK-UHFFFAOYSA-N 0 0 331.393 2.466 40 0 EEABRN CCCOc1ccc(-c2nnn(CC(=O)N3CCC[C@@H](C)C3)n2)cc1 ZINC000004169431 210137848 /nfs/dbraw/zinc/13/78/48/210137848.db2.gz JTHZXXXYCMVQQJ-CQSZACIVSA-N 0 0 343.431 2.387 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000178658189 232347121 /nfs/dbraw/zinc/34/71/21/232347121.db2.gz GVFSIDOYJMJQGI-GFCCVEGCSA-N 0 0 339.461 2.136 40 0 EEABRN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C[C@@H](C)O1 ZINC000067316992 215132612 /nfs/dbraw/zinc/13/26/12/215132612.db2.gz ZYFSPXWPIJRJBR-NXEZZACHSA-N 0 0 348.371 2.324 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)N1CCCC1 ZINC000205869044 539656749 /nfs/dbraw/zinc/65/67/49/539656749.db2.gz WIUYCVJVYBTVQW-UKTHLTGXSA-N 0 0 332.381 2.051 40 0 EEABRN Cc1nc(CNC(=O)[C@@]2(C)Oc3ccc(C)cc3NC2=O)cs1 ZINC000041548013 213451865 /nfs/dbraw/zinc/45/18/65/213451865.db2.gz ILECUYJRYQAQTR-MRXNPFEDSA-N 0 0 331.397 2.166 40 0 EEABRN C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cccc2nsnc21 ZINC000068347363 215300680 /nfs/dbraw/zinc/30/06/80/215300680.db2.gz ZXMBDSOKSRVJPF-JTQLQIEISA-N 0 0 334.426 2.468 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 ZINC000040480686 213315401 /nfs/dbraw/zinc/31/54/01/213315401.db2.gz SEAYKVPTUCHMTH-AWEZNQCLSA-N 0 0 333.432 2.387 40 0 EEABRN O=C(N[C@H](c1cccs1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000040466603 213310929 /nfs/dbraw/zinc/31/09/29/213310929.db2.gz DJIBQZWOSBAFDA-HIFRSBDPSA-N 0 0 335.450 2.388 40 0 EEABRN CCOCC(=O)N(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000069652765 215514764 /nfs/dbraw/zinc/51/47/64/215514764.db2.gz ZHRQUHVTAQDDIW-UHFFFAOYSA-N 0 0 339.335 2.370 40 0 EEABRN COc1ccc(/C=C/C(=O)NCc2ccncc2)c(OC)c1OC ZINC000006544976 236892009 /nfs/dbraw/zinc/89/20/09/236892009.db2.gz RADNJEXVCNTVNU-FNORWQNLSA-N 0 0 328.368 2.437 40 0 EEABRN Cc1nc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)n1 ZINC000019285780 236903550 /nfs/dbraw/zinc/90/35/50/236903550.db2.gz QZAINWFFDGWGEB-INIZCTEOSA-N 0 0 341.440 2.452 40 0 EEABRN O=C(N[C@H]1CN(OCc2ccccc2)C1=O)OCc1ccccc1 ZINC000035636536 213043576 /nfs/dbraw/zinc/04/35/76/213043576.db2.gz BOQJARCVFUIRKV-INIZCTEOSA-N 0 0 326.352 2.255 40 0 in-vitro EEABRN Cc1cc(NC(=O)c2cc(C)nc(N3CCCCCC3)n2)n(C)n1 ZINC000072241465 216080198 /nfs/dbraw/zinc/08/01/98/216080198.db2.gz VZPLVIZWYZMCKA-UHFFFAOYSA-N 0 0 328.420 2.460 40 0 EEABRN Cc1c(CNC(=O)c2cc(C)nc(N3CCCCCC3)n2)cnn1C ZINC000072241467 216080636 /nfs/dbraw/zinc/08/06/36/216080636.db2.gz DZYBRMRZPMDAJP-UHFFFAOYSA-N 0 0 342.447 2.137 40 0 EEABRN Cc1cccc2c1cnn2CCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000072250174 216083345 /nfs/dbraw/zinc/08/33/45/216083345.db2.gz CTEBHHGXUOWJQL-OAHLLOKOSA-N 0 0 342.443 2.252 40 0 EEABRN CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO ZINC000072321183 216149617 /nfs/dbraw/zinc/14/96/17/216149617.db2.gz TUBPJRKWHYGEEM-SJLPKXTDSA-N 0 0 346.427 2.094 40 0 biogenic,in-vitro EEABRN Cc1nc2cc(-c3nccn3C)nn2c(NC[C@@H]2CCCO2)c1C ZINC000072338501 216158017 /nfs/dbraw/zinc/15/80/17/216158017.db2.gz HIBJVWBMTUWWJX-ZDUSSCGKSA-N 0 0 326.404 2.338 40 0 EEABRN COc1ccc(CC(=O)N2CCC(O)(c3cccnc3F)CC2)cc1 ZINC000072340015 216158519 /nfs/dbraw/zinc/15/85/19/216158519.db2.gz SEXMXCUMVNPASK-UHFFFAOYSA-N 0 0 344.386 2.282 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cncc(Nc3cccc(C)n3)n2)C1 ZINC000072354342 216161709 /nfs/dbraw/zinc/16/17/09/216161709.db2.gz QEXZHHIARURIEW-CQSZACIVSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1ncccc1Oc1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000072361978 216169312 /nfs/dbraw/zinc/16/93/12/216169312.db2.gz QLLCJNOVUQXYJQ-ZDUSSCGKSA-N 0 0 348.428 2.111 40 0 EEABRN NC(=O)CN1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072361813 216168828 /nfs/dbraw/zinc/16/88/28/216168828.db2.gz OKRCQTUEEAAXFM-LBPRGKRZSA-N 0 0 330.363 2.073 40 0 EEABRN NC(=O)CN1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 ZINC000072367867 216174357 /nfs/dbraw/zinc/17/43/57/216174357.db2.gz MURQKVPIMDMEOC-UHFFFAOYSA-N 0 0 335.408 2.086 40 0 EEABRN Cc1nccc(N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)n1 ZINC000072369067 216176482 /nfs/dbraw/zinc/17/64/82/216176482.db2.gz HOTXSNCDTRSKIV-OAHLLOKOSA-N 0 0 334.383 2.272 40 0 EEABRN Cn1cc(CN2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cn1 ZINC000072378016 216179007 /nfs/dbraw/zinc/17/90/07/216179007.db2.gz GEAWQGQCGPYHSO-OAHLLOKOSA-N 0 0 336.403 2.081 40 0 EEABRN COCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072383940 216185804 /nfs/dbraw/zinc/18/58/04/216185804.db2.gz MOCXMZVFVBLSFU-UHFFFAOYSA-N 0 0 342.399 2.406 40 0 EEABRN CC(=O)N1CC[C@@H]1c1cc(N(C)CCc2ccccn2)nc(C)n1 ZINC000072387194 216186929 /nfs/dbraw/zinc/18/69/29/216186929.db2.gz NZVKTPOCOSGLBS-QGZVFWFLSA-N 0 0 325.416 2.152 40 0 EEABRN Cc1ccc(C)c2nc3c(cc12)CN(CCN1CCOCC1)C(=O)O3 ZINC000072396329 216192048 /nfs/dbraw/zinc/19/20/48/216192048.db2.gz YPAYQGJKSBQJPQ-UHFFFAOYSA-N 0 0 341.411 2.498 40 0 EEABRN O=C(NCCCO)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675591 238297861 /nfs/dbraw/zinc/29/78/61/238297861.db2.gz JHVVHLABQCSKDC-UHFFFAOYSA-N 0 0 340.354 2.427 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)N[C@H](C)CN2CCCC2=O)s1 ZINC000072566472 216276463 /nfs/dbraw/zinc/27/64/63/216276463.db2.gz LDUQBHUZSBPPKN-MRVPVSSYSA-N 0 0 332.372 2.399 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)c(Cl)c1 ZINC000072846836 216315006 /nfs/dbraw/zinc/31/50/06/216315006.db2.gz GVUCZZMDCAYGQH-LBPRGKRZSA-N 0 0 326.805 2.314 40 0 EEABRN C[C@@H](CC(=O)N1CCCC[C@@H]1CNC(N)=O)Cc1cccc(F)c1 ZINC000073260846 216370851 /nfs/dbraw/zinc/37/08/51/216370851.db2.gz DNKBZCXPDMQKQY-CZUORRHYSA-N 0 0 335.423 2.444 40 0 EEABRN Cc1cccc(NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1F ZINC000193476730 240178066 /nfs/dbraw/zinc/17/80/66/240178066.db2.gz HNWYGPQIRZVMSC-UHFFFAOYSA-N 0 0 347.434 2.407 40 0 EEABRN CSc1ncccc1C(=O)N1CCc2c(cnc3cc(C)nn32)C1 ZINC000208034803 241064708 /nfs/dbraw/zinc/06/47/08/241064708.db2.gz CRPDIBTWLQYKKG-UHFFFAOYSA-N 0 0 339.424 2.353 40 0 EEABRN COc1cc(=O)n(C)cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000225651958 241972703 /nfs/dbraw/zinc/97/27/03/241972703.db2.gz XQLRPHXDYZAFJO-UHFFFAOYSA-N 0 0 340.423 2.489 40 0 EEABRN CN(C)c1noc(CNC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)n1 ZINC000225787020 242033713 /nfs/dbraw/zinc/03/37/13/242033713.db2.gz ILWDYCGJVPZDTC-NSHDSACASA-N 0 0 346.284 2.481 40 0 EEABRN COc1cc(N2CCN(C(=O)NC[C@@H](C)SC)CC2)ccc1F ZINC000225783836 242034370 /nfs/dbraw/zinc/03/43/70/242034370.db2.gz LINWMYKYPZFNMW-GFCCVEGCSA-N 0 0 341.452 2.417 40 0 EEABRN COCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl ZINC000227153529 242123664 /nfs/dbraw/zinc/12/36/64/242123664.db2.gz LHBZXVKVCYZJCV-UHFFFAOYSA-N 0 0 337.807 2.446 40 0 EEABRN CC(C)C[C@H](C(=O)N[C@H](C)C1CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000242324487 243017993 /nfs/dbraw/zinc/01/79/93/243017993.db2.gz ZBSLCYKHXQAPAP-DTZQCDIJSA-N 0 0 332.444 2.267 40 0 EEABRN COc1ccccc1Nc1ccccc1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000252508137 243833561 /nfs/dbraw/zinc/83/35/61/243833561.db2.gz XDTRGSSHGFZRGT-CYBMUJFWSA-N 0 0 339.395 2.447 40 0 EEABRN COc1ccc(OC)c(CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000020447877 212130022 /nfs/dbraw/zinc/13/00/22/212130022.db2.gz ILEBDHNFITYKNX-UHFFFAOYSA-N 0 0 329.352 2.291 40 0 EEABRN Cc1cncc(O[C@H]2CCOC3(CN(Cc4nccs4)C3)C2)n1 ZINC000253601372 244034751 /nfs/dbraw/zinc/03/47/51/244034751.db2.gz QQQWVMFVFNHXNH-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN CO[C@@H]1CCCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000257207766 244139234 /nfs/dbraw/zinc/13/92/34/244139234.db2.gz BJCXDAWYBLWRTP-OAHLLOKOSA-N 0 0 343.420 2.174 40 0 EEABRN Cc1nccn1CC(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257210824 244149084 /nfs/dbraw/zinc/14/90/84/244149084.db2.gz BWIKYVPGSATDSU-MRXNPFEDSA-N 0 0 327.432 2.059 40 0 EEABRN O=C(CCOc1ccccc1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257214941 244164892 /nfs/dbraw/zinc/16/48/92/244164892.db2.gz COAQLNRYEZYZMI-QGZVFWFLSA-N 0 0 341.411 2.106 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)nc(C)n1 ZINC000257224681 244194471 /nfs/dbraw/zinc/19/44/71/244194471.db2.gz FCWCLAANZBFZQP-KRWDZBQOSA-N 0 0 341.367 2.036 40 0 EEABRN CCCn1nccc1-c1ccc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000257266823 244364909 /nfs/dbraw/zinc/36/49/09/244364909.db2.gz MERKQFINLNQJAC-HNNXBMFYSA-N 0 0 348.472 2.179 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cncc(-c3c(C)nn(C)c3C)n2)C1 ZINC000257270543 244376937 /nfs/dbraw/zinc/37/69/37/244376937.db2.gz MURDEUBEYOAZPW-OAHLLOKOSA-N 0 0 327.432 2.295 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257283649 244415678 /nfs/dbraw/zinc/41/56/78/244415678.db2.gz OZFOVNDKJKSDNG-MRXNPFEDSA-N 0 0 339.395 2.193 40 0 EEABRN CN1CCC[C@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706484 212055856 /nfs/dbraw/zinc/05/58/56/212055856.db2.gz MPZAMSUUZGJYJU-HNNXBMFYSA-N 0 0 331.464 2.010 40 0 EEABRN COc1ccc(CC(=O)NCc2nnc(-c3scnc3C)o2)cc1 ZINC000019563242 212044266 /nfs/dbraw/zinc/04/42/66/212044266.db2.gz UPYBUDFBNRNUSU-UHFFFAOYSA-N 0 0 344.396 2.369 40 0 EEABRN COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccc(F)cc1 ZINC000015676526 284198284 /nfs/dbraw/zinc/19/82/84/284198284.db2.gz LWXVEEICTQKIIE-HNNXBMFYSA-N 0 0 345.374 2.343 40 0 biogenic,in-vitro EEABRN CCn1cc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)c(C)n1 ZINC000019524616 212038487 /nfs/dbraw/zinc/03/84/87/212038487.db2.gz KPHIPSQNYCETPQ-GOSISDBHSA-N 0 0 341.459 2.139 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCCCO)C1 ZINC000019524397 212037822 /nfs/dbraw/zinc/03/78/22/212037822.db2.gz BVXDRJSHFUXWGO-HNNXBMFYSA-N 0 0 344.459 2.161 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1ccc(F)cc1 ZINC000019520854 212036988 /nfs/dbraw/zinc/03/69/88/212036988.db2.gz NGSZTZRSOLIEFR-CYBMUJFWSA-N 0 0 329.331 2.337 40 0 EEABRN CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1 ZINC000019522484 212037005 /nfs/dbraw/zinc/03/70/05/212037005.db2.gz GDVSGKIWTGXDQK-CQSZACIVSA-N 0 0 326.400 2.056 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019462932 212030824 /nfs/dbraw/zinc/03/08/24/212030824.db2.gz HKTYCYAWUODPRJ-CMPLNLGQSA-N 0 0 344.440 2.255 40 0 EEABRN C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000048940570 213972349 /nfs/dbraw/zinc/97/23/49/213972349.db2.gz VNXZNBUDDPLIJH-SKDRFNHKSA-N 0 0 340.221 2.169 40 0 EEABRN O=C(CN1CC(c2nc(-c3cccs3)no2)C1)NCc1ccco1 ZINC000049484594 214012472 /nfs/dbraw/zinc/01/24/72/214012472.db2.gz MMJHHRJTJABYRM-UHFFFAOYSA-N 0 0 344.396 2.107 40 0 EEABRN Cc1cn(CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)nn1 ZINC000019238754 212008804 /nfs/dbraw/zinc/00/88/04/212008804.db2.gz HLHSWQJTFWEFED-AWEZNQCLSA-N 0 0 332.379 2.043 40 0 EEABRN CC(=O)N1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000078655825 217095168 /nfs/dbraw/zinc/09/51/68/217095168.db2.gz CRXXUCNQBOEBBD-UHFFFAOYSA-N 0 0 345.262 2.134 40 0 EEABRN O=C(N[C@H](Cc1ccccc1)C1CCCC1)N1CCO[C@H](CO)C1 ZINC000078960853 217159231 /nfs/dbraw/zinc/15/92/31/217159231.db2.gz HBIFROJKLVLTEO-ZWKOTPCHSA-N 0 0 332.444 2.191 40 0 EEABRN Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)cc1C ZINC000078979110 217162229 /nfs/dbraw/zinc/16/22/29/217162229.db2.gz FYDBGSKKPAKVGE-UHFFFAOYSA-N 0 0 337.423 2.226 40 0 EEABRN CC(C)c1cc(NCCS(=O)(=O)NCc2ccccc2)ncn1 ZINC000079029441 217177943 /nfs/dbraw/zinc/17/79/43/217177943.db2.gz ZVKNDOMBQMSTSP-UHFFFAOYSA-N 0 0 334.445 2.132 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000078999609 217171568 /nfs/dbraw/zinc/17/15/68/217171568.db2.gz MFJAQLHCFYYBJI-DLBZAZTESA-N 0 0 346.475 2.127 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(-c2cnco2)cc1)C1CC1 ZINC000079094018 217190356 /nfs/dbraw/zinc/19/03/56/217190356.db2.gz CZDHCPZVKXIVFW-LBPRGKRZSA-N 0 0 348.424 2.379 40 0 EEABRN COC(=O)[C@H]1CCCN1Cc1cn2cc(Br)ccc2n1 ZINC000079311381 217206867 /nfs/dbraw/zinc/20/68/67/217206867.db2.gz OQXRPEOQNYRBSG-GFCCVEGCSA-N 0 0 338.205 2.234 40 0 EEABRN Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cc(C(C)C)no1 ZINC000079350427 217212839 /nfs/dbraw/zinc/21/28/39/217212839.db2.gz IDQHKAXUJHKNGQ-UHFFFAOYSA-N 0 0 341.375 2.404 40 0 EEABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)C1CC1 ZINC000012276226 211334061 /nfs/dbraw/zinc/33/40/61/211334061.db2.gz BEXFLGUIZNNLJO-CYBMUJFWSA-N 0 0 347.365 2.493 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012143321 211305141 /nfs/dbraw/zinc/30/51/41/211305141.db2.gz TZYUZJWEDUPVLM-LLVKDONJSA-N 0 0 346.774 2.448 40 0 EEABRN CC(C)NC(=O)CN1CCC[C@H]1c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000012115766 211293948 /nfs/dbraw/zinc/29/39/48/211293948.db2.gz QZQVBENISJKXFM-AWEZNQCLSA-N 0 0 331.395 2.272 40 0 EEABRN CC(C)c1ocnc1C[S@](=O)CCN1C(=O)c2ccccc2C1=O ZINC000092251814 218130990 /nfs/dbraw/zinc/13/09/90/218130990.db2.gz SEJOGEYENGNZMC-DEOSSOPVSA-N 0 0 346.408 2.343 40 0 EEABRN CCn1c(=O)c2ccccc2n(CC(=O)c2ccc(OC)cc2)c1=O ZINC000009926707 211134967 /nfs/dbraw/zinc/13/49/67/211134967.db2.gz OUYHRKKIDIOTGW-UHFFFAOYSA-N 0 0 338.363 2.075 40 0 EEABRN CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)[C@@H](O)c1ccccc1F ZINC000095407002 218342819 /nfs/dbraw/zinc/34/28/19/218342819.db2.gz XONHAPDGNMUDFA-AEFFLSMTSA-N 0 0 333.407 2.347 40 0 EEABRN CC(=O)Nc1ccc(OC[C@H](O)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000095438759 218381965 /nfs/dbraw/zinc/38/19/65/218381965.db2.gz VEIVAALTJYQBFN-GFCCVEGCSA-N 0 0 343.305 2.300 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096039050 218520282 /nfs/dbraw/zinc/52/02/82/218520282.db2.gz ABXARPASTHKIKJ-IAGOWNOFSA-N 0 0 339.457 2.201 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096058064 218549661 /nfs/dbraw/zinc/54/96/61/218549661.db2.gz AIHZFSAMTFUFEC-ARFHVFGLSA-N 0 0 343.358 2.067 40 0 EEABRN O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3ccsc3)CC2)O1 ZINC000096061192 218555026 /nfs/dbraw/zinc/55/50/26/218555026.db2.gz WIQOXZOEFGCHQK-OAHLLOKOSA-N 0 0 348.468 2.428 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)c(C)[nH]1 ZINC000096065930 218562712 /nfs/dbraw/zinc/56/27/12/218562712.db2.gz IFZSOCVDROJGPM-KURKYZTESA-N 0 0 341.411 2.478 40 0 EEABRN CCOCc1cnc2n1CCN(C(=O)COc1ccccc1)[C@@H]2C ZINC000096109676 218604463 /nfs/dbraw/zinc/60/44/63/218604463.db2.gz BTLFYXQKXOXHNE-CQSZACIVSA-N 0 0 329.400 2.402 40 0 EEABRN O=C(N1CCCC1)N1CCc2c(CNc3ncccn3)cncc2C1 ZINC000096189546 218659554 /nfs/dbraw/zinc/65/95/54/218659554.db2.gz XUFXTCQKLLPPFC-UHFFFAOYSA-N 0 0 338.415 2.058 40 0 EEABRN O=C(c1cscn1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187898 218655081 /nfs/dbraw/zinc/65/50/81/218655081.db2.gz QIVHJXHKRHYPBL-CYBMUJFWSA-N 0 0 332.429 2.038 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)NCC(C)C)=NO3)C2)c1 ZINC000096225459 218700706 /nfs/dbraw/zinc/70/07/06/218700706.db2.gz SWOTZJWDCBCALT-LJQANCHMSA-N 0 0 343.427 2.128 40 0 EEABRN COc1ccccc1OCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000006285286 210610626 /nfs/dbraw/zinc/61/06/26/210610626.db2.gz FXNSJKWXNVSPAP-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000096240750 218713588 /nfs/dbraw/zinc/71/35/88/218713588.db2.gz JSCBBGQLDPAPQF-CQSZACIVSA-N 0 0 336.457 2.142 40 0 EEABRN Cc1nc(-c2ccc(S(=O)(=O)N(C)CCn3cccn3)cc2)co1 ZINC000096409592 218762706 /nfs/dbraw/zinc/76/27/06/218762706.db2.gz MOOLXARQGIHBGP-UHFFFAOYSA-N 0 0 346.412 2.167 40 0 EEABRN CC(C)CCC(=O)NCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000096411279 218766357 /nfs/dbraw/zinc/76/63/57/218766357.db2.gz KSMGGKJZTHIITE-YOEHRIQHSA-N 0 0 326.481 2.496 40 0 EEABRN O=S(=O)(CCc1ccccc1)NC[C@@H](O)c1c(F)cccc1F ZINC000096428198 218800471 /nfs/dbraw/zinc/80/04/71/218800471.db2.gz QWJLULNTFORXAY-OAHLLOKOSA-N 0 0 341.379 2.160 40 0 EEABRN COc1cccc(F)c1[C@@H](C)NC(=O)CNC(=O)c1ccoc1C ZINC000096440990 218822451 /nfs/dbraw/zinc/82/24/51/218822451.db2.gz PPPRENSIGNNVAU-SNVBAGLBSA-N 0 0 334.347 2.343 40 0 EEABRN Cc1nc(CNC(=O)CN2CCOc3ccc(Cl)cc32)oc1C ZINC000096444651 218826535 /nfs/dbraw/zinc/82/65/35/218826535.db2.gz OJBGYDSLWPWSGI-UHFFFAOYSA-N 0 0 335.791 2.460 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2c2nccs2)c(C)o1 ZINC000096459294 218841819 /nfs/dbraw/zinc/84/18/19/218841819.db2.gz GTLXEFAOCACHSK-RHSMWYFYSA-N 0 0 349.456 2.346 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc(N)c1 ZINC000096519865 218882069 /nfs/dbraw/zinc/88/20/69/218882069.db2.gz ZJKLLPACRHSMQJ-ZJUUUORDSA-N 0 0 342.642 2.024 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000112326731 220302990 /nfs/dbraw/zinc/30/29/90/220302990.db2.gz WXBWNTNTOGPLQU-NCCIAJDBSA-N 0 0 347.465 2.121 40 0 EEABRN COc1ccc(-n2nnc(C(=O)NCc3ccc(C)cc3)c2N)cc1 ZINC000004985029 210349405 /nfs/dbraw/zinc/34/94/05/210349405.db2.gz QWSNXIJHMSJQJM-UHFFFAOYSA-N 0 0 337.383 2.097 40 0 EEABRN COc1ccccc1CNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000004970648 210343646 /nfs/dbraw/zinc/34/36/46/210343646.db2.gz VUPCGYHFUORDKE-CYBMUJFWSA-N 0 0 340.379 2.126 40 0 EEABRN CC(=O)N1CCN(c2ncc(CNC(=O)OC(C)(C)C)cc2C)CC1 ZINC000072222686 257686855 /nfs/dbraw/zinc/68/68/55/257686855.db2.gz PBEYDRDDYYLWLO-UHFFFAOYSA-N 0 0 348.447 2.083 40 0 EEABRN COC(=O)[C@@H]1Oc2ccc(Br)cc2-c2nc(N)ncc21 ZINC000072207118 257690555 /nfs/dbraw/zinc/69/05/55/257690555.db2.gz KUYGHLFWTOSOCW-LLVKDONJSA-N 0 0 336.145 2.095 40 0 EEABRN NC(=O)C(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 ZINC000408569193 257896700 /nfs/dbraw/zinc/89/67/00/257896700.db2.gz JBLZSFLLQTVCFE-UHFFFAOYSA-N 0 0 339.326 2.087 40 0 EEABRN CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000514289714 257845601 /nfs/dbraw/zinc/84/56/01/257845601.db2.gz NSVCROXZHNOQOB-WBVHZDCISA-N 0 0 328.412 2.311 40 0 biogenic,in-vitro EEABRN COc1cccc(N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c1 ZINC000036635611 257913431 /nfs/dbraw/zinc/91/34/31/257913431.db2.gz QJGZQNPWQVHBCO-MRXNPFEDSA-N 0 0 326.352 2.448 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000245304956 258000383 /nfs/dbraw/zinc/00/03/83/258000383.db2.gz HHNABHVCVXDCNN-MJEQTWJJSA-N 0 0 336.480 2.328 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072354740 292176498 /nfs/dbraw/zinc/17/64/98/292176498.db2.gz RLEMAGXOUPLXBD-CQSZACIVSA-N 0 0 330.363 2.175 40 0 EEABRN Cc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000009060733 292307225 /nfs/dbraw/zinc/30/72/25/292307225.db2.gz HSFCFAYTHGBKHB-FZKCQIBNSA-N 0 0 338.407 2.083 40 0 EEABRN CC(=O)NC(C)(C)c1noc(Cc2c(C)nn(C(F)F)c2C)n1 ZINC000072548112 159040601 /nfs/dbraw/zinc/04/06/01/159040601.db2.gz SKELVQAIPHIPAA-UHFFFAOYSA-N 0 0 327.335 2.240 40 0 EEABRN Cc1ccc2c(c1)CC[C@H](c1nc([C@@H]3CCS(=O)(=O)C3)no1)O2 ZINC000290182665 275187392 /nfs/dbraw/zinc/18/73/92/275187392.db2.gz SMFCAYJBRQCQGD-TZMCWYRMSA-N 0 0 334.397 2.346 40 0 EEABRN COCCC(=O)N1CCC(c2nnc(-c3scnc3C)o2)CC1 ZINC000019563131 277201560 /nfs/dbraw/zinc/20/15/60/277201560.db2.gz IKROCANXRYLARU-UHFFFAOYSA-N 0 0 336.417 2.244 40 0 EEABRN COC(=O)c1cc(O)c2c(c1)Oc1cc(C(=O)OC)cc(O)c1C2 ZINC000003843447 277423912 /nfs/dbraw/zinc/42/39/12/277423912.db2.gz BGKZBQPFYCCMAH-UHFFFAOYSA-N 0 0 330.292 2.368 40 0 EEABRN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000190933816 279026922 /nfs/dbraw/zinc/02/69/22/279026922.db2.gz SQOOLNWELOWOKU-KBPBESRZSA-N 0 0 343.431 2.099 40 0 EEABRN Cc1nc2ccccn2c1CN1C(=O)N[C@](C)(c2ccccn2)C1=O ZINC000096424868 279131402 /nfs/dbraw/zinc/13/14/02/279131402.db2.gz UALNDXNGXMBTAF-GOSISDBHSA-N 0 0 335.367 2.005 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3CC[C@H](Oc4ccccc4)[C@@H]3C2)nc(N)n1 ZINC000257321875 280342256 /nfs/dbraw/zinc/34/22/56/280342256.db2.gz WDQDEYLDYCWXDS-LXZKKBNFSA-N 0 0 338.411 2.297 40 0 EEABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(C)CC1 ZINC000019499669 282038903 /nfs/dbraw/zinc/03/89/03/282038903.db2.gz ZMILAUPYXLREIV-QGZVFWFLSA-N 0 0 342.491 2.463 40 0 EEABRN CN(C)c1cccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@]32C)c1 ZINC000005612126 289415407 /nfs/dbraw/zinc/41/54/07/289415407.db2.gz MFXZNEBLSYHVNK-TZMCWYRMSA-N 0 0 342.511 2.146 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1 ZINC000072241968 289801508 /nfs/dbraw/zinc/80/15/08/289801508.db2.gz UMDQKTWHGQJLLQ-GOEBONIOSA-N 0 0 336.432 2.311 40 0 EEABRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000081632120 290595113 /nfs/dbraw/zinc/59/51/13/290595113.db2.gz ZENVHYXUSPMXTO-SNVBAGLBSA-N 0 0 326.828 2.252 40 0 EEABRN Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000006679852 302880066 /nfs/dbraw/zinc/88/00/66/302880066.db2.gz KCAHFSMEGFSHDN-UHFFFAOYSA-N 0 0 336.438 2.297 40 0 EEABRN O=S(=O)(c1sccc1Cl)N1CCC[C@H](n2ccnn2)C1 ZINC000331797225 311907279 /nfs/dbraw/zinc/90/72/79/311907279.db2.gz IYOOIDUOWBSRFL-VIFPVBQESA-N 0 0 332.838 2.019 40 0 EEABRN COc1cccc2c1ccnc2N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000567571756 319391420 /nfs/dbraw/zinc/39/14/20/319391420.db2.gz SMXQKEPDNZPWNH-HNNXBMFYSA-N 0 0 339.399 2.428 40 0 EEABRN CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(F)cc(Br)c1 ZINC000390833753 323545115 /nfs/dbraw/zinc/54/51/15/323545115.db2.gz MMEBKIHSPGDHDI-RYUDHWBXSA-N 0 0 343.196 2.434 40 0 EEABRN COc1cccc(Cl)c1CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000184823687 465028181 /nfs/dbraw/zinc/02/81/81/465028181.db2.gz NHIJCTKTLBRDCE-ZDUSSCGKSA-N 0 0 337.725 2.417 40 0 EEABRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436640 462547929 /nfs/dbraw/zinc/54/79/29/462547929.db2.gz XTQHNCWHWLZIIH-OAHLLOKOSA-N 0 0 342.361 2.234 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1F ZINC000085470476 462550694 /nfs/dbraw/zinc/55/06/94/462550694.db2.gz AYBIIKAAWFELBB-UHFFFAOYSA-N 0 0 344.394 2.320 40 0 EEABRN Cc1cccc(C)c1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O ZINC000000308861 462553741 /nfs/dbraw/zinc/55/37/41/462553741.db2.gz UHYQBMHTRZJDNZ-UHFFFAOYSA-N 0 0 338.473 2.328 40 0 EEABRN Cn1ncc(Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000002747127 462600862 /nfs/dbraw/zinc/60/08/62/462600862.db2.gz PMHKEEAUUKWHDN-UHFFFAOYSA-N 0 0 338.820 2.365 40 0 EEABRN C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCC(F)(F)F ZINC000061984110 462605647 /nfs/dbraw/zinc/60/56/47/462605647.db2.gz FXVSSGWSUBFCEO-VIFPVBQESA-N 0 0 345.346 2.286 40 0 EEABRN CCc1noc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000046087630 462646007 /nfs/dbraw/zinc/64/60/07/462646007.db2.gz OPYVJYHKELDUMC-UHFFFAOYSA-N 0 0 339.392 2.339 40 0 EEABRN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000074915970 462652659 /nfs/dbraw/zinc/65/26/59/462652659.db2.gz TUKQJDGKIGPBTJ-UHFFFAOYSA-N 0 0 349.364 2.012 40 0 EEABRN O=C(NCCCOc1ccc(F)cc1)c1cnc2ccccn2c1=O ZINC000063680834 462661434 /nfs/dbraw/zinc/66/14/34/462661434.db2.gz PMMLCLHLZZOGJL-UHFFFAOYSA-N 0 0 341.342 2.033 40 0 EEABRN COC(=O)c1cc(NC(=O)c2ccccc2N)cc(C(=O)OC)c1 ZINC000005611422 462663828 /nfs/dbraw/zinc/66/38/28/462663828.db2.gz XNEPOBFXQQHPOQ-UHFFFAOYSA-N 0 0 328.324 2.094 40 0 EEABRN CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000006430440 462685991 /nfs/dbraw/zinc/68/59/91/462685991.db2.gz IWQBLYQYYJBSRR-UHFFFAOYSA-N 0 0 346.452 2.404 40 0 EEABRN CSC[C@](C)(O)CNS(=O)(=O)c1cccc2ccccc21 ZINC000075157303 462687815 /nfs/dbraw/zinc/68/78/15/462687815.db2.gz JCWOEFMQONINGC-OAHLLOKOSA-N 0 0 325.455 2.232 40 0 EEABRN COc1cccc2sc(N3CC(OC(=O)c4ccn(C)n4)C3)nc21 ZINC000075166575 462691180 /nfs/dbraw/zinc/69/11/80/462691180.db2.gz KQJSDLCMDIEPKL-UHFFFAOYSA-N 0 0 344.396 2.084 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O ZINC000006954684 462714058 /nfs/dbraw/zinc/71/40/58/462714058.db2.gz KSOLVXLFNSNDHQ-MDWZMJQESA-N 0 0 349.364 2.211 40 0 EEABRN Cc1nnc([C@H]2CCCN2C(=O)c2cccc(OCC(F)F)n2)o1 ZINC000089862447 462730891 /nfs/dbraw/zinc/73/08/91/462730891.db2.gz NSJQCHRBSBCRES-LLVKDONJSA-N 0 0 338.314 2.394 40 0 EEABRN O=C([C@@H]1CCCN1Cc1cc(Cl)nc(Cl)c1)N1CCOCC1 ZINC000075646317 462744007 /nfs/dbraw/zinc/74/40/07/462744007.db2.gz ITKOCUMAAWPWLF-LBPRGKRZSA-N 0 0 344.242 2.212 40 0 EEABRN CCS(=O)(=O)Nc1cccc(C(=O)N2CCOc3ccccc32)c1 ZINC000075646432 462744504 /nfs/dbraw/zinc/74/45/04/462744504.db2.gz RJIQYXFJPTZGNA-UHFFFAOYSA-N 0 0 346.408 2.487 40 0 EEABRN CCc1nc(S(=O)(=O)Cc2cccc(Br)c2C)n[nH]1 ZINC000090085297 462773667 /nfs/dbraw/zinc/77/36/67/462773667.db2.gz LUUYQFRMWUCURM-UHFFFAOYSA-N 0 0 344.234 2.412 40 0 EEABRN COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O ZINC000008371631 462781165 /nfs/dbraw/zinc/78/11/65/462781165.db2.gz FOCYXUKMYYFTQK-UVTDQMKNSA-N 0 0 348.424 2.184 40 0 EEABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 ZINC000008479131 462785816 /nfs/dbraw/zinc/78/58/16/462785816.db2.gz ZYWAOLXJZBGPFQ-INIZCTEOSA-N 0 0 340.851 2.336 40 0 EEABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 ZINC000008479136 462786087 /nfs/dbraw/zinc/78/60/87/462786087.db2.gz ZYWAOLXJZBGPFQ-MRXNPFEDSA-N 0 0 340.851 2.336 40 0 EEABRN C[C@H](C(=O)NC1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539400 462797200 /nfs/dbraw/zinc/79/72/00/462797200.db2.gz FIEONKANBHLBOP-CYBMUJFWSA-N 0 0 339.480 2.423 40 0 EEABRN O=C(NCc1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609187 462802845 /nfs/dbraw/zinc/80/28/45/462802845.db2.gz FUNQJWXVXOZCAU-KRWDZBQOSA-N 0 0 349.500 2.036 40 0 EEABRN O=C(NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000009993988 462811218 /nfs/dbraw/zinc/81/12/18/462811218.db2.gz PUMFUJMMVTYTGW-UHFFFAOYSA-N 0 0 330.815 2.358 40 0 EEABRN Cn1nccc1CNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000047757694 462820205 /nfs/dbraw/zinc/82/02/05/462820205.db2.gz XGUKRMTVANEXCL-UHFFFAOYSA-N 0 0 341.415 2.414 40 0 EEABRN COc1ccc2nc3c(cc2c1)CN(C[C@H]1CCCO1)C(=O)CO3 ZINC000012115571 462843776 /nfs/dbraw/zinc/84/37/76/462843776.db2.gz CXCVNFAKTVHJNV-OAHLLOKOSA-N 0 0 328.368 2.143 40 0 EEABRN CC(=O)c1csc(NC(=O)c2cc3ncc(C(C)=O)c(C)n3n2)n1 ZINC000012198154 462846556 /nfs/dbraw/zinc/84/65/56/462846556.db2.gz DYSRUPMMEYHXNW-UHFFFAOYSA-N 0 0 343.368 2.152 40 0 EEABRN CC(=O)N1CCN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)CC1 ZINC000012219439 462846827 /nfs/dbraw/zinc/84/68/27/462846827.db2.gz SQXXWWVREFRGSA-UHFFFAOYSA-N 0 0 349.394 2.467 40 0 EEABRN CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000012365264 462851755 /nfs/dbraw/zinc/85/17/55/462851755.db2.gz VLTQLSJRCIBUEV-NSHDSACASA-N 0 0 342.848 2.255 40 0 EEABRN O=C(NCCOC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccncc1 ZINC000076853910 462917248 /nfs/dbraw/zinc/91/72/48/462917248.db2.gz MRSYXOKPFLSOBH-UKRRQHHQSA-N 0 0 346.333 2.437 40 0 EEABRN CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015360621 462949247 /nfs/dbraw/zinc/94/92/47/462949247.db2.gz BDWCOSLBHAUFMP-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN CCNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1OC ZINC000016681769 462986977 /nfs/dbraw/zinc/98/69/77/462986977.db2.gz VHCNXECNEBFKFM-UHFFFAOYSA-N 0 0 340.445 2.010 40 0 EEABRN C[C@H](C(=O)NCCc1cn(C)c2ccc(Cl)cc12)N1CCOCC1 ZINC000019080163 463014443 /nfs/dbraw/zinc/01/44/43/463014443.db2.gz XRKFUYMZDMKMEQ-CYBMUJFWSA-N 0 0 349.862 2.211 40 0 EEABRN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(C(=O)C2CCC2)C1 ZINC000019696032 463020603 /nfs/dbraw/zinc/02/06/03/463020603.db2.gz SWIUQHNVYFPWDM-GOSISDBHSA-N 0 0 333.432 2.105 40 0 EEABRN CC(=O)NC(=S)Nc1ccc(I)cc1C ZINC000021596527 463039001 /nfs/dbraw/zinc/03/90/01/463039001.db2.gz WCKCMIWZNYQRJF-UHFFFAOYSA-N 0 0 334.182 2.433 40 0 EEABRN CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077845239 463062820 /nfs/dbraw/zinc/06/28/20/463062820.db2.gz QZDDTMCQRZTMFP-VFZGTOFNSA-N 0 0 330.787 2.331 40 0 EEABRN O=C(COC[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000095395559 463074239 /nfs/dbraw/zinc/07/42/39/463074239.db2.gz IVVONEYBCRCNSZ-ZDUSSCGKSA-N 0 0 336.363 2.087 40 0 EEABRN c1ccc(OC[C@]23CCCO[C@@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040353 463145302 /nfs/dbraw/zinc/14/53/02/463145302.db2.gz WAYOXGFZSBQLIN-CRAIPNDOSA-N 0 0 326.400 2.326 40 0 EEABRN O=C(c1ccco1)N1C[C@H]2[C@H](CC[C@@]23NC(c2ccccc2)=NC3=O)C1 ZINC000096061753 463161508 /nfs/dbraw/zinc/16/15/08/463161508.db2.gz PSCJLMKTTARGQQ-QEEYODRMSA-N 0 0 349.390 2.077 40 0 EEABRN Cc1occc1C(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096062482 463162387 /nfs/dbraw/zinc/16/23/87/463162387.db2.gz ODMPPZLKRMPTBG-IBGZPJMESA-N 0 0 341.411 2.352 40 0 EEABRN CCN(CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000026505235 463165483 /nfs/dbraw/zinc/16/54/83/463165483.db2.gz AQJRNGNTYRXNLF-KBPBESRZSA-N 0 0 339.486 2.186 40 0 EEABRN CCC1=NC2(CCC(C(=O)N(C)Cc3ccccn3)CC2)C(=O)N1C ZINC000096087518 463170228 /nfs/dbraw/zinc/17/02/28/463170228.db2.gz NYBQRHIRXMVONU-UHFFFAOYSA-N 0 0 342.443 2.250 40 0 EEABRN Cn1nc(CNc2ncccn2)c2c1CN(Cc1cccs1)CC2 ZINC000096084197 463170711 /nfs/dbraw/zinc/17/07/11/463170711.db2.gz PPKNWNRCJJGRAV-UHFFFAOYSA-N 0 0 340.456 2.442 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 ZINC000096184817 463195534 /nfs/dbraw/zinc/19/55/34/463195534.db2.gz QEQFRGJMFXDZAK-CVEARBPZSA-N 0 0 326.375 2.038 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC000096186113 463197243 /nfs/dbraw/zinc/19/72/43/463197243.db2.gz AYZGFJGPBWXGAB-ULQDDVLXSA-N 0 0 328.416 2.016 40 0 EEABRN CN(Cc1cccnc1)[C@@H]1CN(C(=O)CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096186009 463197732 /nfs/dbraw/zinc/19/77/32/463197732.db2.gz QABSMMVEKBUPJM-LMMKCTJWSA-N 0 0 329.444 2.072 40 0 EEABRN CN(C)C(=O)COCc1cncc2c1CCN(Cc1cccs1)C2 ZINC000096189377 463201764 /nfs/dbraw/zinc/20/17/64/463201764.db2.gz OFLQRQXTDRRLDF-UHFFFAOYSA-N 0 0 345.468 2.306 40 0 EEABRN Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)c4ccccc4F)CC[C@H]32)o1 ZINC000096206601 463208936 /nfs/dbraw/zinc/20/89/36/463208936.db2.gz DAPTZYWZSMXKTF-IOASZLSFSA-N 0 0 345.374 2.237 40 0 EEABRN Fc1cnc(N2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)nc1 ZINC000096226576 463221088 /nfs/dbraw/zinc/22/10/88/463221088.db2.gz PPLJACCQQZZJQF-QGZVFWFLSA-N 0 0 332.379 2.080 40 0 EEABRN CCOc1ccc(C(=O)NCCn2cc(Br)cn2)cc1 ZINC000028246037 463221160 /nfs/dbraw/zinc/22/11/60/463221160.db2.gz XTQSZVSWJVBZLX-UHFFFAOYSA-N 0 0 338.205 2.474 40 0 EEABRN Fc1cnc(N2CCC[C@@]3(C2)COCCN(c2nccs2)C3)nc1 ZINC000096229224 463221731 /nfs/dbraw/zinc/22/17/31/463221731.db2.gz SYIWBSJBZWPVPM-INIZCTEOSA-N 0 0 349.435 2.196 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227461 463222147 /nfs/dbraw/zinc/22/21/47/463222147.db2.gz OROHAYKQVMGVRL-XLIONFOSSA-N 0 0 341.455 2.469 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 ZINC000096240753 463225917 /nfs/dbraw/zinc/22/59/17/463225917.db2.gz PXIYZHWZJXYTSO-INIZCTEOSA-N 0 0 348.418 2.219 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000096250077 463227239 /nfs/dbraw/zinc/22/72/39/463227239.db2.gz OIHHFFSEWCAIRH-HLLBOEOZSA-N 0 0 348.472 2.073 40 0 EEABRN CC(C)Nc1nc2c(c(NC3CC3)n1)CCN(C(=O)C1CC1)CC2 ZINC000096254621 463228214 /nfs/dbraw/zinc/22/82/14/463228214.db2.gz OVICZDBRWLRXMA-UHFFFAOYSA-N 0 0 329.448 2.208 40 0 EEABRN CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccncc1)CCC2 ZINC000096259217 463230398 /nfs/dbraw/zinc/23/03/98/463230398.db2.gz OGCQXFBZSLQTRY-UHFFFAOYSA-N 0 0 327.432 2.164 40 0 EEABRN CC(=O)N1CC[C@]2(C(=O)NCCc3c[nH]c4ccccc34)C[C@@H]2C1 ZINC000096268465 463231069 /nfs/dbraw/zinc/23/10/69/463231069.db2.gz KBLDRVRIQLMREI-BEFAXECRSA-N 0 0 325.412 2.085 40 0 EEABRN CO[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(F)c1 ZINC000096388389 463237119 /nfs/dbraw/zinc/23/71/19/463237119.db2.gz AOEXBUURSSIBHK-ZDUSSCGKSA-N 0 0 328.365 2.097 40 0 EEABRN Cn1ccc(-c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)cc1=O ZINC000096405332 463239646 /nfs/dbraw/zinc/23/96/46/463239646.db2.gz CXRWZPOLNHBXJF-UHFFFAOYSA-N 0 0 346.387 2.339 40 0 EEABRN Cc1cc(OCC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)no1 ZINC000096407386 463240265 /nfs/dbraw/zinc/24/02/65/463240265.db2.gz YWQPJCXSPPQQJL-CQSZACIVSA-N 0 0 333.363 2.286 40 0 EEABRN C[C@H](C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)n1cccn1 ZINC000096406484 463240453 /nfs/dbraw/zinc/24/04/53/463240453.db2.gz HVWFLGQSIFNTDW-ZBFHGGJFSA-N 0 0 326.400 2.098 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)CO[C@H]2CCC[C@H](C)C2)c1 ZINC000096418780 463250293 /nfs/dbraw/zinc/25/02/93/463250293.db2.gz PXPXXOZQKAPTJX-YOEHRIQHSA-N 0 0 332.444 2.300 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC000096419352 463250858 /nfs/dbraw/zinc/25/08/58/463250858.db2.gz URCXHSFFIJVNJB-UONOGXRCSA-N 0 0 332.425 2.320 40 0 EEABRN CCn1nc(C)c(CNC(=O)NC[C@@](C)(O)c2ccsc2)c1C ZINC000096419919 463251843 /nfs/dbraw/zinc/25/18/43/463251843.db2.gz BHZPEAHGSNEUQJ-MRXNPFEDSA-N 0 0 336.461 2.288 40 0 EEABRN Cc1nccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000096423120 463253901 /nfs/dbraw/zinc/25/39/01/463253901.db2.gz WSKGTRRFCOJVLU-AWEZNQCLSA-N 0 0 344.802 2.364 40 0 EEABRN Cc1ccc(N(C)C(C)C)c(C(=O)NCCCS(C)(=O)=O)c1 ZINC000096423607 463254230 /nfs/dbraw/zinc/25/42/30/463254230.db2.gz OPMUPAGZMIGJLY-UHFFFAOYSA-N 0 0 326.462 2.004 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)Cc3noc4ccccc43)CC2)S1 ZINC000096426964 463255982 /nfs/dbraw/zinc/25/59/82/463255982.db2.gz MBQZOLDBUZXBND-LBPRGKRZSA-N 0 0 344.440 2.006 40 0 EEABRN CC[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F ZINC000096427897 463258139 /nfs/dbraw/zinc/25/81/39/463258139.db2.gz LMWVGDHZBXHXEG-LLVKDONJSA-N 0 0 332.372 2.486 40 0 EEABRN CCc1cc(N[C@H](CO)Cc2c[nH]c3ccccc23)n2ncnc2n1 ZINC000096429845 463259242 /nfs/dbraw/zinc/25/92/42/463259242.db2.gz DBNUJZXQXKNPIL-AWEZNQCLSA-N 0 0 336.399 2.184 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)c2ccc(-c3ccccc3)n2C)cn1 ZINC000096437417 463264493 /nfs/dbraw/zinc/26/44/93/463264493.db2.gz KYHLAVUHEYXXNA-IBGZPJMESA-N 0 0 338.411 2.063 40 0 EEABRN C[C@@H](NC(=O)NCCc1cccc(C(=O)N(C)C)c1)c1ccccn1 ZINC000096437620 463266199 /nfs/dbraw/zinc/26/61/99/463266199.db2.gz SGJUCDVTPIJNPB-CQSZACIVSA-N 0 0 340.427 2.386 40 0 EEABRN O=C(NCCc1cn2c(n1)CCCC2)NCC[C@H](O)c1ccccc1 ZINC000096437752 463266265 /nfs/dbraw/zinc/26/62/65/463266265.db2.gz YDWVJBQIUUYDOZ-KRWDZBQOSA-N 0 0 342.443 2.185 40 0 EEABRN O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccon2)CC1 ZINC000096440104 463267383 /nfs/dbraw/zinc/26/73/83/463267383.db2.gz SGGRCACXWWPWHJ-SJLPKXTDSA-N 0 0 340.427 2.306 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2cc(C)oc2C)C12CCC2 ZINC000096440803 463267510 /nfs/dbraw/zinc/26/75/10/463267510.db2.gz UPBQDFNNFPUAAG-CABCVRRESA-N 0 0 334.416 2.090 40 0 EEABRN Cc1ccc2[nH]nc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)c2c1 ZINC000096443757 463268585 /nfs/dbraw/zinc/26/85/85/463268585.db2.gz NIJNJDZIJLAHLQ-GFCCVEGCSA-N 0 0 343.456 2.120 40 0 EEABRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000096447855 463271049 /nfs/dbraw/zinc/27/10/49/463271049.db2.gz SVSNFHCNGJWXEY-HIFRSBDPSA-N 0 0 344.459 2.469 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000096446243 463271276 /nfs/dbraw/zinc/27/12/76/463271276.db2.gz JUEJMFMJFJNMNA-UHFFFAOYSA-N 0 0 341.395 2.439 40 0 EEABRN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@](C)(O)c1cccs1 ZINC000096450336 463272137 /nfs/dbraw/zinc/27/21/37/463272137.db2.gz FNKHCNGAAXVXMD-YVEFUNNKSA-N 0 0 338.473 2.157 40 0 EEABRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@@](C)(O)c1cccs1 ZINC000096450337 463272164 /nfs/dbraw/zinc/27/21/64/463272164.db2.gz FNKHCNGAAXVXMD-SJKOYZFVSA-N 0 0 338.473 2.157 40 0 EEABRN CCc1noc(CN(C)C(=O)c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000096454278 463273814 /nfs/dbraw/zinc/27/38/14/463273814.db2.gz YADCATREWWJVCS-UHFFFAOYSA-N 0 0 347.325 2.368 40 0 EEABRN C[C@@H](c1ccccc1Cl)N1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000096455759 463275118 /nfs/dbraw/zinc/27/51/18/463275118.db2.gz QCBCHZUFPUZUGZ-LBPRGKRZSA-N 0 0 345.834 2.112 40 0 EEABRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cn1ccnn1 ZINC000096454922 463275673 /nfs/dbraw/zinc/27/56/73/463275673.db2.gz KJRJUCRBUZPLHI-NSHDSACASA-N 0 0 337.221 2.178 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000096461461 463276720 /nfs/dbraw/zinc/27/67/20/463276720.db2.gz LJOHDXBPBYMBAF-GUYCJALGSA-N 0 0 342.395 2.306 40 0 EEABRN CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)[C@@H](C)C(C)C ZINC000096460935 463276804 /nfs/dbraw/zinc/27/68/04/463276804.db2.gz HKSKIGILVYFYPK-NSHDSACASA-N 0 0 330.450 2.345 40 0 EEABRN Cc1[nH]ccc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470974 463278864 /nfs/dbraw/zinc/27/88/64/463278864.db2.gz FQEQGLBEEHMJNL-ROUUACIJSA-N 0 0 325.412 2.049 40 0 EEABRN Cc1cc(C)n2cc(CN3CCNC(=O)[C@H]3c3ccccc3)nc2n1 ZINC000096483366 463282472 /nfs/dbraw/zinc/28/24/72/463282472.db2.gz SEGLFFRIAGWKJA-QGZVFWFLSA-N 0 0 335.411 2.019 40 0 EEABRN O=S(=O)(NC[C@H](O)Cc1ccccc1)c1cccc2ncccc21 ZINC000096483474 463282938 /nfs/dbraw/zinc/28/29/38/463282938.db2.gz FAOBFYXDIMPPQP-OAHLLOKOSA-N 0 0 342.420 2.117 40 0 EEABRN O=C(Cc1c(F)cccc1F)N1CCC(c2ccnn2CCO)CC1 ZINC000096492426 463288244 /nfs/dbraw/zinc/28/82/44/463288244.db2.gz WTFDUDCTYLNLJO-UHFFFAOYSA-N 0 0 349.381 2.102 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000096496075 463288794 /nfs/dbraw/zinc/28/87/94/463288794.db2.gz KOMKIDIZLLXZPT-JOYOIKCWSA-N 0 0 333.354 2.461 40 0 EEABRN CN(CCN1CCOCC1)C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000096495008 463289082 /nfs/dbraw/zinc/28/90/82/463289082.db2.gz ALXHISDKJKWUDS-UHFFFAOYSA-N 0 0 338.398 2.177 40 0 EEABRN Cn1cnc2cc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)cnc21 ZINC000096499918 463290249 /nfs/dbraw/zinc/29/02/49/463290249.db2.gz HATYRXNYMKOARK-INIZCTEOSA-N 0 0 340.358 2.321 40 0 EEABRN CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000096500506 463290293 /nfs/dbraw/zinc/29/02/93/463290293.db2.gz DNQFGHITIIUTOW-CQSZACIVSA-N 0 0 335.469 2.304 40 0 EEABRN O=C(NCC[C@H]1CCCCO1)NCc1cn(-c2ccccc2)nn1 ZINC000096500166 463290324 /nfs/dbraw/zinc/29/03/24/463290324.db2.gz VCFMIDJVELCWHG-MRXNPFEDSA-N 0 0 329.404 2.026 40 0 EEABRN O=C(NCCC1Cc2ccccc2C1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000096500361 463290672 /nfs/dbraw/zinc/29/06/72/463290672.db2.gz QTPDEJYFTBJLJR-HNNXBMFYSA-N 0 0 341.455 2.102 40 0 EEABRN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1Cc2ccccc2C1 ZINC000096502578 463292986 /nfs/dbraw/zinc/29/29/86/463292986.db2.gz YQBRBDIVCGFWQP-KRWDZBQOSA-N 0 0 336.395 2.302 40 0 EEABRN CS(=O)(=O)N1CCCc2cc(I)ccc21 ZINC000137771074 463300691 /nfs/dbraw/zinc/30/06/91/463300691.db2.gz BGPYJGZSERBYMB-UHFFFAOYSA-N 0 0 337.182 2.003 40 0 EEABRN CS(=O)(=O)c1ccc(-c2noc(C[C@@H](O)c3ccccc3)n2)cc1 ZINC000097102151 463324053 /nfs/dbraw/zinc/32/40/53/463324053.db2.gz BLWMITDLHGTQJM-OAHLLOKOSA-N 0 0 344.392 2.416 40 0 EEABRN Cc1ccnc2[nH]c(CN(C)[C@@H](C(N)=O)c3cccc(F)c3)nc21 ZINC000097103403 463324973 /nfs/dbraw/zinc/32/49/73/463324973.db2.gz FJSIBYFWTBHCAT-OAHLLOKOSA-N 0 0 327.363 2.064 40 0 EEABRN CNC(=O)c1ccc(N(C)Cc2ccc3nc(C)[nH]c(=O)c3c2)s1 ZINC000143989692 463373474 /nfs/dbraw/zinc/37/34/74/463373474.db2.gz FDORQGSZKITIKM-UHFFFAOYSA-N 0 0 342.424 2.289 40 0 EEABRN Clc1snnc1Cn1cc(I)cn1 ZINC000070677569 463378301 /nfs/dbraw/zinc/37/83/01/463378301.db2.gz RIBNWJPRLOEZFK-UHFFFAOYSA-N 0 0 326.550 2.041 40 0 EEABRN CC(=O)N(C)CC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000070971537 463398776 /nfs/dbraw/zinc/39/87/76/463398776.db2.gz HOLSFRYVAPKLDM-UHFFFAOYSA-N 0 0 340.305 2.308 40 0 EEABRN C[C@@H]1CCCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000040640115 463462905 /nfs/dbraw/zinc/46/29/05/463462905.db2.gz LAECORUWKDHWOR-CQSZACIVSA-N 0 0 336.457 2.489 40 0 EEABRN CCc1noc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000041122365 463468426 /nfs/dbraw/zinc/46/84/26/463468426.db2.gz ICUCVSMTKYAECT-SNVBAGLBSA-N 0 0 327.431 2.262 40 0 EEABRN COc1c(Br)cc(C)cc1C(=O)N1CCN(C)CC1 ZINC000057339302 463480713 /nfs/dbraw/zinc/48/07/13/463480713.db2.gz QKVDJKRXYIFMMP-UHFFFAOYSA-N 0 0 327.222 2.154 40 0 EEABRN COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072227138 463484654 /nfs/dbraw/zinc/48/46/54/463484654.db2.gz GXLCOFDTXAQTAB-DLBZAZTESA-N 0 0 328.368 2.128 40 0 EEABRN COC(=O)[C@@H](CNC(=O)Nc1cc(C)on1)Cc1ccc(F)cc1 ZINC000058005197 463535132 /nfs/dbraw/zinc/53/51/32/463535132.db2.gz ZSDNITHIKSGDLQ-GFCCVEGCSA-N 0 0 335.335 2.276 40 0 EEABRN CC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2)CCC[C@]12CCC(=O)N2 ZINC000107709285 463579434 /nfs/dbraw/zinc/57/94/34/463579434.db2.gz IETMQZQVZQFCTJ-HOCLYGCPSA-N 0 0 340.420 2.038 40 0 EEABRN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000042646649 463583293 /nfs/dbraw/zinc/58/32/93/463583293.db2.gz AYDOZNCBKWRDOR-LBPRGKRZSA-N 0 0 326.352 2.274 40 0 EEABRN COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000108533517 463611332 /nfs/dbraw/zinc/61/13/32/463611332.db2.gz DDTZMEXTUCIMDI-UHFFFAOYSA-N 0 0 334.416 2.079 40 0 EEABRN C[C@H]1C(=O)N(C[C@H](O)c2ccc(F)c(Br)c2)C(=O)[C@H]1C ZINC000185018493 463737452 /nfs/dbraw/zinc/73/74/52/463737452.db2.gz TVOPWIZXMDDQNF-SXMVTHIZSA-N 0 0 344.180 2.263 40 0 EEABRN Cc1ocnc1C(=O)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257282991 463761185 /nfs/dbraw/zinc/76/11/85/463761185.db2.gz OWERSQZTFXXCOR-GFCCVEGCSA-N 0 0 327.344 2.099 40 0 EEABRN CC(=O)NCc1nccnc1C1CCN(C(=O)c2cccs2)CC1 ZINC000257282811 463762048 /nfs/dbraw/zinc/76/20/48/463762048.db2.gz OVJXVRVGHRJRRE-UHFFFAOYSA-N 0 0 344.440 2.194 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257289412 463764982 /nfs/dbraw/zinc/76/49/82/463764982.db2.gz PYMXQZATRXDOBG-KRWDZBQOSA-N 0 0 348.406 2.499 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305269 463770609 /nfs/dbraw/zinc/77/06/09/463770609.db2.gz SPFCARSMJOFLSJ-GOSISDBHSA-N 0 0 342.443 2.143 40 0 EEABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@H]2CCC=CO2)C3)C1 ZINC000257309980 463772653 /nfs/dbraw/zinc/77/26/53/463772653.db2.gz UDDYDAGEKVJNBO-LSDHHAIUSA-N 0 0 344.459 2.469 40 0 EEABRN COc1cccc(F)c1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315683 463775483 /nfs/dbraw/zinc/77/54/83/463775483.db2.gz VCKGDKNKURFYKM-CQSZACIVSA-N 0 0 347.390 2.164 40 0 EEABRN CC(C)(C)C(=O)N1CCC(Cc2cc(N3CCOC3=O)ncn2)CC1 ZINC000257328532 463779183 /nfs/dbraw/zinc/77/91/83/463779183.db2.gz XGBREULBROWZCQ-UHFFFAOYSA-N 0 0 346.431 2.260 40 0 EEABRN COc1cc(CCC(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)on1 ZINC000257328137 463779512 /nfs/dbraw/zinc/77/95/12/463779512.db2.gz XEICLZSXLNJPND-CQSZACIVSA-N 0 0 344.415 2.104 40 0 EEABRN O=C(CC1CCC1)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257341336 463785682 /nfs/dbraw/zinc/78/56/82/463785682.db2.gz ZJXNEOHJOHRXCK-LJQANCHMSA-N 0 0 342.443 2.107 40 0 EEABRN Cc1cccc(NC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1Br ZINC000194149550 463802448 /nfs/dbraw/zinc/80/24/48/463802448.db2.gz FNXFMPSPEMLPHL-BXKDBHETSA-N 0 0 340.221 2.404 40 0 EEABRN CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(F)c(F)c2)c1 ZINC000194712346 463914715 /nfs/dbraw/zinc/91/47/15/463914715.db2.gz FHZSCYQITONZSQ-UHFFFAOYSA-N 0 0 339.363 2.439 40 0 EEABRN Cc1c(C)c(C)c(S(=O)(=O)N(CCO)CC(F)F)c(C)c1C ZINC000194850231 463942543 /nfs/dbraw/zinc/94/25/43/463942543.db2.gz PKJNLXZBIAEVHP-UHFFFAOYSA-N 0 0 335.416 2.477 40 0 EEABRN Cc1ncc(CS(=O)(=O)c2nnc(-c3ccoc3C)n2C)s1 ZINC000195109206 463993191 /nfs/dbraw/zinc/99/31/91/463993191.db2.gz GRHRUPQYQOHDTJ-UHFFFAOYSA-N 0 0 338.414 2.122 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NCC1(c2ccccn2)CC1 ZINC000195450753 464055063 /nfs/dbraw/zinc/05/50/63/464055063.db2.gz QSMSOLUCKSXRMQ-UHFFFAOYSA-N 0 0 332.425 2.409 40 0 EEABRN CCN1CCO[C@H](C(=O)N2CCC[C@@H](COc3ccccc3)C2)C1 ZINC000195532420 464073749 /nfs/dbraw/zinc/07/37/49/464073749.db2.gz IGEPWZAGQAOVPC-AEFFLSMTSA-N 0 0 332.444 2.025 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222973856 464135493 /nfs/dbraw/zinc/13/54/93/464135493.db2.gz KTCGOJHKUGDZBE-CQSZACIVSA-N 0 0 341.411 2.144 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000222973388 464135724 /nfs/dbraw/zinc/13/57/24/464135724.db2.gz PEYBCLNTKYHKQR-ZDUSSCGKSA-N 0 0 330.384 2.342 40 0 EEABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(N)(=O)=O ZINC000223037134 464135932 /nfs/dbraw/zinc/13/59/32/464135932.db2.gz VFLHYXPWRYOUHB-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000223203742 464138057 /nfs/dbraw/zinc/13/80/57/464138057.db2.gz YQMNBPDMDMXYKM-PMGBHYCQSA-N 0 0 344.411 2.192 40 0 EEABRN O=C(COc1ccc(Cl)cc1)Nc1cnc(-n2cccn2)nc1 ZINC000224244251 464149977 /nfs/dbraw/zinc/14/99/77/464149977.db2.gz YDKIWXNEAULMEA-UHFFFAOYSA-N 0 0 329.747 2.333 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000225225003 464154431 /nfs/dbraw/zinc/15/44/31/464154431.db2.gz WLTCMLGKDOJCEK-VXGBXAGGSA-N 0 0 330.425 2.141 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000225345229 464155359 /nfs/dbraw/zinc/15/53/59/464155359.db2.gz YEFNINHJMYGDCS-CQSZACIVSA-N 0 0 326.462 2.061 40 0 EEABRN CC1(c2cc(N3CCN(C(=O)c4ccc(Cl)cn4)CC3)n[nH]2)CC1 ZINC000225425022 464159652 /nfs/dbraw/zinc/15/96/52/464159652.db2.gz XWOHBAATGOZKCE-UHFFFAOYSA-N 0 0 345.834 2.472 40 0 EEABRN CC[C@H]1CN(c2cc(N3CCCC3)ncn2)CCN1CC(F)F ZINC000225483930 464165600 /nfs/dbraw/zinc/16/56/00/464165600.db2.gz PHGKSRZSCNYTEM-ZDUSSCGKSA-N 0 0 325.407 2.243 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000225505146 464166585 /nfs/dbraw/zinc/16/65/85/464166585.db2.gz VZLPRYCOMOXUMQ-CABCVRRESA-N 0 0 330.432 2.269 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@H]1C ZINC000225547432 464171190 /nfs/dbraw/zinc/17/11/90/464171190.db2.gz CERBYLANHZWMBW-ZDUSSCGKSA-N 0 0 344.434 2.441 40 0 EEABRN CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCOCC2)cc1)C1CC1 ZINC000225643649 464178237 /nfs/dbraw/zinc/17/82/37/464178237.db2.gz ANHRFWYXVVKYPJ-LJQANCHMSA-N 0 0 348.443 2.151 40 0 EEABRN C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188192811 464220334 /nfs/dbraw/zinc/22/03/34/464220334.db2.gz KQDLLAOMYVRTMI-GJZGRUSLSA-N 0 0 340.464 2.314 40 0 EEABRN Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000281164609 464355499 /nfs/dbraw/zinc/35/54/99/464355499.db2.gz CSMPUIGTVKLKTB-UHFFFAOYSA-N 0 0 330.388 2.305 40 0 EEABRN CCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000243379890 464459562 /nfs/dbraw/zinc/45/95/62/464459562.db2.gz MGCHWCDFBIZNPU-UHFFFAOYSA-N 0 0 326.462 2.492 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 ZINC000246197179 464557435 /nfs/dbraw/zinc/55/74/35/464557435.db2.gz KODLRUIHHICYKS-WVZRYYJFSA-N 0 0 336.480 2.040 40 0 EEABRN Cn1cc([C@H]2OCC[C@@H]2NC(=O)NC[C@@H]2CCc3ccccc32)cn1 ZINC000190181885 464606764 /nfs/dbraw/zinc/60/67/64/464606764.db2.gz MOMSZHWSRLMNHS-JCGIZDLHSA-N 0 0 340.427 2.279 40 0 EEABRN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)N(C)C ZINC000190321500 464621868 /nfs/dbraw/zinc/62/18/68/464621868.db2.gz SXOAYMNQEAWRPI-UHFFFAOYSA-N 0 0 343.221 2.496 40 0 EEABRN Fc1cccnc1OC[C@H]1CCOC12CN(Cc1ccccn1)C2 ZINC000247546638 464693238 /nfs/dbraw/zinc/69/32/38/464693238.db2.gz USFFYWFBFFOXCU-CQSZACIVSA-N 0 0 329.375 2.286 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000247868472 464710454 /nfs/dbraw/zinc/71/04/54/464710454.db2.gz PQWUMWAIUGQNMT-OAHLLOKOSA-N 0 0 348.468 2.221 40 0 EEABRN O=C(c1ccncc1F)N1Cc2ccnn2C[C@H](COCC2CC2)C1 ZINC000247865848 464710981 /nfs/dbraw/zinc/71/09/81/464710981.db2.gz ONBKPVKJCONVNL-CQSZACIVSA-N 0 0 344.390 2.116 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CCO3)c1 ZINC000247939564 464715550 /nfs/dbraw/zinc/71/55/50/464715550.db2.gz UJAYEJPDXUBHAE-MRXNPFEDSA-N 0 0 339.395 2.238 40 0 EEABRN Cc1ncoc1C(=O)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000248002744 464721266 /nfs/dbraw/zinc/72/12/66/464721266.db2.gz CPXLHKCZMCYRCF-CQSZACIVSA-N 0 0 345.424 2.295 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cn1 ZINC000248138996 464734326 /nfs/dbraw/zinc/73/43/26/464734326.db2.gz PQBWBFXLIVMOEL-MRXNPFEDSA-N 0 0 330.457 2.092 40 0 EEABRN CN(Cc1nc(-c2ccoc2)no1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248157047 464735585 /nfs/dbraw/zinc/73/55/85/464735585.db2.gz ZKJNXXNTAZNUCU-CHWSQXEVSA-N 0 0 339.417 2.117 40 0 EEABRN COC(=O)[C@@H]1CCN(Cc2ccc3ccccc3n2)[C@H](C(=O)OC)C1 ZINC000183121166 464801790 /nfs/dbraw/zinc/80/17/90/464801790.db2.gz SSRKADCHAXYAGD-PBHICJAKSA-N 0 0 342.395 2.161 40 0 EEABRN O=S1(=O)CCN(C2CCN(Cc3coc4ccccc34)CC2)CC1 ZINC000191941355 464834705 /nfs/dbraw/zinc/83/47/05/464834705.db2.gz KINKIXHKGKKPGZ-UHFFFAOYSA-N 0 0 348.468 2.128 40 0 EEABRN C[C@@H](c1nnnn1C1CC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000192076317 464861158 /nfs/dbraw/zinc/86/11/58/464861158.db2.gz RHRMXCLSBZOIAO-ZDUSSCGKSA-N 0 0 330.411 2.026 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000282553015 464862098 /nfs/dbraw/zinc/86/20/98/464862098.db2.gz NXJHSXXZHJAUII-ZDUSSCGKSA-N 0 0 345.436 2.171 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1CCN(c2ncccc2F)CC1 ZINC000276288806 464877954 /nfs/dbraw/zinc/87/79/54/464877954.db2.gz JLORSGCTUFWNTH-UHFFFAOYSA-N 0 0 349.431 2.341 40 0 EEABRN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ncnn1C(C)(C)C ZINC000252490601 464967185 /nfs/dbraw/zinc/96/71/85/464967185.db2.gz KXQGPDMLWULNBR-OCCSQVGLSA-N 0 0 337.468 2.284 40 0 EEABRN Cc1c(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)c2ccccc2n1C ZINC000252497782 464969487 /nfs/dbraw/zinc/96/94/87/464969487.db2.gz QPOVKOLMYYWDAS-HNNXBMFYSA-N 0 0 345.468 2.122 40 0 EEABRN CC[C@H](NC(=O)COCc1ccnn1C)c1nc2ccccc2[nH]1 ZINC000252504474 464972723 /nfs/dbraw/zinc/97/27/23/464972723.db2.gz VJCMTYACRADKHN-ZDUSSCGKSA-N 0 0 327.388 2.081 40 0 EEABRN COc1cccc(Cl)c1CC(=O)NC[C@@H](C)N1CCOC[C@H]1C ZINC000253369319 464993742 /nfs/dbraw/zinc/99/37/42/464993742.db2.gz AXGJTUGFZIWZSG-CHWSQXEVSA-N 0 0 340.851 2.117 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000253370904 464995186 /nfs/dbraw/zinc/99/51/86/464995186.db2.gz XSZDUEHUXBNKBS-YLQAJVPDSA-N 0 0 336.480 2.160 40 0 EEABRN CC(C)N(C)c1ccc(CN2CCO[C@](C)(c3cnn(C)c3)C2)cn1 ZINC000253394475 464999558 /nfs/dbraw/zinc/99/95/58/464999558.db2.gz WHJPVDZQFYQRMI-IBGZPJMESA-N 0 0 343.475 2.407 40 0 EEABRN COC(=O)c1cn([C@H]2CCCN(Cc3cccc(OC)c3F)C2)nn1 ZINC000253397173 465000233 /nfs/dbraw/zinc/00/02/33/465000233.db2.gz FKUPLRVEYPGNLK-ZDUSSCGKSA-N 0 0 348.378 2.050 40 0 EEABRN COc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ncn1 ZINC000253401952 465001723 /nfs/dbraw/zinc/00/17/23/465001723.db2.gz NUJKMTLKCJLXCE-UHFFFAOYSA-N 0 0 327.262 2.314 40 0 EEABRN C[C@H](CNC(=O)[C@H]1CCc2n[nH]nc2C1)c1nc2ccccc2s1 ZINC000253418633 465007921 /nfs/dbraw/zinc/00/79/21/465007921.db2.gz WGBABCZMDBGZHV-MNOVXSKESA-N 0 0 341.440 2.439 40 0 EEABRN O=C1[C@H](Sc2nnc(C3CC3)n2C2CC2)CCN1C1CCOCC1 ZINC000253429280 465012182 /nfs/dbraw/zinc/01/21/82/465012182.db2.gz QHDXBLLDWBLMNI-CQSZACIVSA-N 0 0 348.472 2.362 40 0 EEABRN Cn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cn1 ZINC000253428461 465012215 /nfs/dbraw/zinc/01/22/15/465012215.db2.gz IWFIKPYNTPIYFI-AWEZNQCLSA-N 0 0 346.412 2.477 40 0 EEABRN CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)ccc1C ZINC000253429228 465012612 /nfs/dbraw/zinc/01/26/12/465012612.db2.gz SJBQBQWJFAYCCZ-MRXNPFEDSA-N 0 0 340.427 2.330 40 0 EEABRN CCC[C@]12CCCN1C(=O)N([C@H]1CCN(CC(F)(F)F)C1)C2=O ZINC000253431817 465014396 /nfs/dbraw/zinc/01/43/96/465014396.db2.gz UDRSERVUKAJBAV-SMDDNHRTSA-N 0 0 333.354 2.220 40 0 EEABRN O=C(c1ccccc1Br)N1CC(Nc2ncccn2)C1 ZINC000253472042 465014897 /nfs/dbraw/zinc/01/48/97/465014897.db2.gz ILUSEHHQFBFJIY-UHFFFAOYSA-N 0 0 333.189 2.176 40 0 EEABRN CC[C@H](C)n1nc(NC(=O)NCc2cn3c(n2)CCCC3)cc1C ZINC000331677421 466192360 /nfs/dbraw/zinc/19/23/60/466192360.db2.gz VNAMMEGVUUHGBK-LBPRGKRZSA-N 0 0 330.436 3.017 40 0 EEABRN COc1ccc([C@@]2(O)CC(C)=NN2C(=O)[C@H](O)c2ccccc2)cc1 ZINC000408563241 466680772 /nfs/dbraw/zinc/68/07/72/466680772.db2.gz JXZYBEWZIVWYNG-MJGOQNOKSA-N 0 0 340.379 2.182 40 0 EEABRN CC(C)CNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408561509 466681385 /nfs/dbraw/zinc/68/13/85/466681385.db2.gz JASWZBJBBRPYSM-UHFFFAOYSA-N 0 0 325.434 2.249 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000408600644 466681768 /nfs/dbraw/zinc/68/17/68/466681768.db2.gz BPJBMWIXTBKFGK-UHFFFAOYSA-N 0 0 342.461 2.011 40 0 EEABRN CCOc1ccc(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000408925138 466684726 /nfs/dbraw/zinc/68/47/26/466684726.db2.gz NADYEJDFZKBWSV-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCCC[C@@H](C)C2)CC1 ZINC000390835005 467415368 /nfs/dbraw/zinc/41/53/68/467415368.db2.gz ASALJTFQOKMTHF-CQSZACIVSA-N 0 0 345.509 2.021 40 0 EEABRN Cc1cncc(OCC[C@@H]2CCOC3(CN(C(=O)C(C)C)C3)C2)n1 ZINC000575404913 468141550 /nfs/dbraw/zinc/14/15/50/468141550.db2.gz QFLYTQISBYFBEP-OAHLLOKOSA-N 0 0 333.432 2.218 40 0 EEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)c1 ZINC000575406774 468142357 /nfs/dbraw/zinc/14/23/57/468142357.db2.gz SNXQNSAWQADUAE-QGZVFWFLSA-N 0 0 338.411 2.011 40 0 EEABRN CCN1CC[C@@]2(CN(C(=O)c3occc3C)CC(F)(F)C2)C1=O ZINC000585093484 468963504 /nfs/dbraw/zinc/96/35/04/468963504.db2.gz YYLLDANUSKJFHB-OAHLLOKOSA-N 0 0 326.343 2.308 40 0 EEABRN COCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@@H](C)C2 ZINC000585097090 468965854 /nfs/dbraw/zinc/96/58/54/468965854.db2.gz FQCNBVVTULAPBT-LBPRGKRZSA-N 0 0 340.383 2.258 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)c2ccc(F)cc2C)C1 ZINC000585099206 468966719 /nfs/dbraw/zinc/96/67/19/468966719.db2.gz VCXFWHUDMLOFCE-CQSZACIVSA-N 0 0 343.402 2.344 40 0 EEABRN CCCC(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C ZINC000585098474 468967295 /nfs/dbraw/zinc/96/72/95/468967295.db2.gz TZJUAFZIAFFPAG-CYBMUJFWSA-N 0 0 344.415 2.038 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccsc1)C2 ZINC000585103037 468970311 /nfs/dbraw/zinc/97/03/11/468970311.db2.gz OKZBGFQBKBWDGL-YOEHRIQHSA-N 0 0 336.457 2.143 40 0 EEABRN Cc1ccccc1C(=O)N1C[C@H]2OC[C@@H](CC(=O)N3CCCC3)[C@H]2C1 ZINC000585108406 468972076 /nfs/dbraw/zinc/97/20/76/468972076.db2.gz GNIFSGZRGMZOGI-KBAYOESNSA-N 0 0 342.439 2.095 40 0 EEABRN Cc1nc(CO[C@H]2CN(C(=O)C3(F)CC3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000585108557 468972101 /nfs/dbraw/zinc/97/21/01/468972101.db2.gz FVTQOBGQILSVDZ-RDBSUJKOSA-N 0 0 340.420 2.229 40 0 EEABRN O=C(N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21)C1(F)CCC1 ZINC000585108620 468973556 /nfs/dbraw/zinc/97/35/56/468973556.db2.gz NBEFGDUBAGXEDD-PMPSAXMXSA-N 0 0 334.391 2.249 40 0 EEABRN O=C(NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113000 468976623 /nfs/dbraw/zinc/97/66/23/468976623.db2.gz ZRPUVPPUXRWZBO-AWEZNQCLSA-N 0 0 330.457 2.418 40 0 EEABRN COc1ccc(COCC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cn1 ZINC000585123738 468981220 /nfs/dbraw/zinc/98/12/20/468981220.db2.gz SLIHDOJNWRTORL-OLMMMNRUSA-N 0 0 328.412 2.277 40 0 EEABRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC000585140553 468989224 /nfs/dbraw/zinc/98/92/24/468989224.db2.gz HCBSGLWACZXEMP-ZBEGNZNMSA-N 0 0 348.424 2.273 40 0 EEABRN C=CC(=O)N(C)[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000585140813 468990279 /nfs/dbraw/zinc/99/02/79/468990279.db2.gz LDFZWTCBKPNOMW-HOCLYGCPSA-N 0 0 332.400 2.488 40 0 EEABRN N=[S@](=O)(c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000585142274 468992229 /nfs/dbraw/zinc/99/22/29/468992229.db2.gz RYLOXOGBWGSNRB-CLTRCRFRSA-N 0 0 335.351 2.314 40 0 EEABRN O=C(NCc1cccs1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000585147360 468992954 /nfs/dbraw/zinc/99/29/54/468992954.db2.gz TYNMKCTXPHBSMF-LBPRGKRZSA-N 0 0 336.392 2.430 40 0 EEABRN CO[C@@]1(COc2cccc(F)c2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585275327 468998906 /nfs/dbraw/zinc/99/89/06/468998906.db2.gz ANNZQWLPHYQECH-SFHVURJKSA-N 0 0 347.390 2.178 40 0 EEABRN CC(=O)N1CCC[C@H](CNC(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000684423007 485878554 /nfs/dbraw/zinc/87/85/54/485878554.db2.gz PDGTWENQLNSHDH-OAHLLOKOSA-N 0 0 330.432 2.014 40 0 EEABRN Cc1ccc(S(=O)(=O)CCc2nnc(-c3ccncc3)o2)cc1 ZINC000006213957 534201427 /nfs/dbraw/zinc/20/14/27/534201427.db2.gz UDEPMEWDOHOISO-UHFFFAOYSA-N 0 0 329.381 2.456 40 0 EEABRN CCCC(=O)NCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000077648456 519871809 /nfs/dbraw/zinc/87/18/09/519871809.db2.gz HVSYJQFUKARORV-NSHDSACASA-N 0 0 333.215 2.059 40 0 EEABRN CCN(CC)c1ncc(CN2CCOC[C@H]2c2nc(C)no2)s1 ZINC000188478214 528317697 /nfs/dbraw/zinc/31/76/97/528317697.db2.gz CMAMGSBCJFXNHX-ZDUSSCGKSA-N 0 0 337.449 2.254 40 0 EEABRN CCCCc1nc(CN2CCO[C@H](c3nc(CN(C)C)c[nH]3)C2)c[nH]1 ZINC000257239653 535102922 /nfs/dbraw/zinc/10/29/22/535102922.db2.gz HQGMUEAOBHZGHS-INIZCTEOSA-N 0 0 346.479 2.111 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H]2CCc2ccncc2)c1C ZINC000257217676 535829085 /nfs/dbraw/zinc/82/90/85/535829085.db2.gz DAAVURHJWYLBMT-MRXNPFEDSA-N 0 0 348.472 2.392 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(C(=O)COc3cccnc3)C2)ccn1 ZINC000257235087 536145365 /nfs/dbraw/zinc/14/53/65/536145365.db2.gz GWJZZUVFJGWNGY-INIZCTEOSA-N 0 0 340.427 2.328 40 0 EEABRN Cc1[nH]c(=S)[nH]c(=O)c1Oc1ccc(=O)n(-c2ccccc2)n1 ZINC000016847433 1352355126 /nfs/dbraw/zinc/35/51/26/1352355126.db2.gz XPYSZCHEANQLLC-UHFFFAOYSA-N 0 0 328.353 2.118 40 0 EEABRN COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc(OC)c1O ZINC000199407167 959633442 /nfs/dbraw/zinc/63/34/42/959633442.db2.gz JZEKPEIBKCYRSA-HNNXBMFYSA-N 0 0 343.379 2.421 40 0 EEABRN O=c1n(Cc2cccc(F)c2)nc2n1C(=O)N(c1ccc(F)cc1)C2 ZINC001547201309 1124226947 /nfs/dbraw/zinc/22/69/47/1124226947.db2.gz YZUSCTPUCFRKEN-UHFFFAOYSA-N 0 0 342.305 2.360 40 0 EEABRN Cn1cnc2c1ncnc2N1CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC001548453582 1124295745 /nfs/dbraw/zinc/29/57/45/1124295745.db2.gz GHRMPTRBBUFTLR-CQSZACIVSA-N 0 0 342.447 2.029 40 0 EEABRN CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000055768612 214341507 /nfs/dbraw/zinc/34/15/07/214341507.db2.gz PLOSXLRIVVWMBT-UHFFFAOYSA-N 0 0 348.424 2.345 40 0 EEABRN Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NC3CCCC3)O[C@H]2C1 ZINC000097953612 219064738 /nfs/dbraw/zinc/06/47/38/219064738.db2.gz NKGIIVVTXXNIQH-WBAXXEDZSA-N 0 0 347.459 2.330 40 0 EEABRN Cc1cncc(C(=O)N2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953744 219064845 /nfs/dbraw/zinc/06/48/45/219064845.db2.gz NRMMJOLRAKRIRX-OKZBNKHCSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000058668688 214601133 /nfs/dbraw/zinc/60/11/33/214601133.db2.gz CZGQVCUIRZJZBH-JSGCOSHPSA-N 0 0 346.456 2.226 40 0 EEABRN CCCN1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccncc2)C1=O ZINC000101129007 219116859 /nfs/dbraw/zinc/11/68/59/219116859.db2.gz ZXOJBJSXZAKOQH-ZACQAIPSSA-N 0 0 337.379 2.338 40 0 EEABRN COc1ccc(CCC(=O)/N=c2/sccn2C)c(OC)c1OC ZINC000105331216 539393178 /nfs/dbraw/zinc/39/31/78/539393178.db2.gz HBGDGNDGKZKVND-WUKNDPDISA-N 0 0 336.413 2.173 40 0 EEABRN CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 ZINC000003903745 210089225 /nfs/dbraw/zinc/08/92/25/210089225.db2.gz LYJVODDGMLQANQ-PASDCYSWSA-N 0 0 333.428 2.444 40 0 EEABRN O=Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000066608667 215058598 /nfs/dbraw/zinc/05/85/98/215058598.db2.gz LUDIADUIMOOSBO-UHFFFAOYSA-N 0 0 328.412 2.364 40 0 EEABRN Cc1noc(C)c1CC(=O)O[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000066733309 215074341 /nfs/dbraw/zinc/07/43/41/215074341.db2.gz HPWKGIWNSMIQLV-HNNXBMFYSA-N 0 0 344.415 2.453 40 0 EEABRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cnccn1 ZINC000225719605 295804292 /nfs/dbraw/zinc/80/42/92/295804292.db2.gz ZGKFQOUYOXASGX-LLVKDONJSA-N 0 0 338.136 2.242 40 0 EEABRN CCc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000041122347 213418845 /nfs/dbraw/zinc/41/88/45/213418845.db2.gz BRELBCZTZIPZKG-NSHDSACASA-N 0 0 339.392 2.339 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000069146233 215364714 /nfs/dbraw/zinc/36/47/14/215364714.db2.gz GIOACFMJAXRNFF-NSHDSACASA-N 0 0 330.837 2.079 40 0 EEABRN Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000000567119 209667185 /nfs/dbraw/zinc/66/71/85/209667185.db2.gz HOXQQQJBSODWCY-UHFFFAOYSA-N 0 0 347.440 2.247 40 0 EEABRN CCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949759 535287616 /nfs/dbraw/zinc/28/76/16/535287616.db2.gz DKRBHZZKLXQSPB-ZDUSSCGKSA-N 0 0 332.853 2.237 40 0 EEABRN NC(=O)N1CC[C@H](NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000186901472 236058552 /nfs/dbraw/zinc/05/85/52/236058552.db2.gz IQDFIEGOWOFXCA-LBPRGKRZSA-N 0 0 341.333 2.006 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCc1nc(-c2cccs2)no1 ZINC000036133428 213070960 /nfs/dbraw/zinc/07/09/60/213070960.db2.gz HGWCEKOWVDYCDG-UHFFFAOYSA-N 0 0 335.410 2.418 40 0 EEABRN C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H](C(N)=O)O1 ZINC000187464354 236218243 /nfs/dbraw/zinc/21/82/43/236218243.db2.gz ICZGZQXMBDQYAB-PELKAZGASA-N 0 0 336.741 2.433 40 0 EEABRN COc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000036075240 213059533 /nfs/dbraw/zinc/05/95/33/213059533.db2.gz DYDMWHPMDJAZDC-KRWDZBQOSA-N 0 0 338.407 2.360 40 0 EEABRN Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCN(C)CC2)n1 ZINC000035183080 213013440 /nfs/dbraw/zinc/01/34/40/213013440.db2.gz CIIQLNAUXCEPOM-UHFFFAOYSA-N 0 0 342.468 2.318 40 0 EEABRN O=C(Cc1ccccn1)N1CCC(c2ncnc3ncccc32)CC1 ZINC000019401181 236902940 /nfs/dbraw/zinc/90/29/40/236902940.db2.gz CBWBTZSECGFGMV-UHFFFAOYSA-N 0 0 333.395 2.369 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241321 216079417 /nfs/dbraw/zinc/07/94/17/216079417.db2.gz MDDQNKUFCILQHO-JKSUJKDBSA-N 0 0 348.786 2.148 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241334 216079794 /nfs/dbraw/zinc/07/97/94/216079794.db2.gz GZTJFKZKPUGAMO-CVEARBPZSA-N 0 0 336.819 2.297 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccncc2)[C@@H]1c1cccc(F)c1 ZINC000072241910 216080690 /nfs/dbraw/zinc/08/06/90/216080690.db2.gz KXTKTFULJNRYOW-WMZOPIPTSA-N 0 0 341.386 2.447 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2c2ncccn2)n1 ZINC000072360328 216166179 /nfs/dbraw/zinc/16/61/79/216166179.db2.gz JZGRYTHYUDZIKG-CQSZACIVSA-N 0 0 334.387 2.450 40 0 EEABRN CCOC[C@H]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2c(c1)OCO2 ZINC000107804307 219808713 /nfs/dbraw/zinc/80/87/13/219808713.db2.gz CIFKKNCIXOGFHB-BJJXKVORSA-N 0 0 333.384 2.071 40 0 EEABRN CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1 ZINC000072388414 216188035 /nfs/dbraw/zinc/18/80/35/216188035.db2.gz ZIGDLOGCALGXMV-LJQANCHMSA-N 0 0 338.411 2.296 40 0 EEABRN O=C(NCCn1ncc(-c2cnccn2)c1C1CC1)c1cccnc1 ZINC000072389850 216189967 /nfs/dbraw/zinc/18/99/67/216189967.db2.gz CVWVUGFRDDBABV-UHFFFAOYSA-N 0 0 334.383 2.043 40 0 EEABRN Cc1csc(CN(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)n1 ZINC000072552429 216273695 /nfs/dbraw/zinc/27/36/95/216273695.db2.gz LXBWWGZEIAIHTI-CYBMUJFWSA-N 0 0 335.433 2.491 40 0 EEABRN CCCn1nnnc1CN(C)C1CCN(c2cccc(F)c2)CC1 ZINC000072826175 216312085 /nfs/dbraw/zinc/31/20/85/216312085.db2.gz FSDBSWAVJKZWCK-UHFFFAOYSA-N 0 0 332.427 2.323 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1ccsc1)CC2 ZINC000096059448 283770697 /nfs/dbraw/zinc/77/06/97/283770697.db2.gz WWRBGCZUFFDQCC-UHFFFAOYSA-N 0 0 344.440 2.017 40 0 EEABRN COc1ccc([C@H](O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000022113546 212278112 /nfs/dbraw/zinc/27/81/12/212278112.db2.gz GACSXPSYHLPYQG-MRXNPFEDSA-N 0 0 336.432 2.281 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1C(N)=S ZINC000218210839 241306211 /nfs/dbraw/zinc/30/62/11/241306211.db2.gz FQFLOGFOGDUONG-GARJFASQSA-N 0 0 348.287 2.252 40 0 EEABRN CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1F ZINC000223936760 241711238 /nfs/dbraw/zinc/71/12/38/241711238.db2.gz BXHHOXLBVZAWSV-UHFFFAOYSA-N 0 0 342.436 2.036 40 0 EEABRN Cc1csc(CCCC(=O)Nc2cnn(-c3ncccn3)c2)n1 ZINC000225804578 242045542 /nfs/dbraw/zinc/04/55/42/242045542.db2.gz PAFCYAVAHJIMQC-UHFFFAOYSA-N 0 0 328.401 2.389 40 0 EEABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CN1CCCC1=O ZINC000225885241 242069043 /nfs/dbraw/zinc/06/90/43/242069043.db2.gz ASHUHIYOMJEIAG-SNVBAGLBSA-N 0 0 337.217 2.349 40 0 EEABRN CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(F)c(Cl)c2)c1=O ZINC000225967459 242081969 /nfs/dbraw/zinc/08/19/69/242081969.db2.gz RBQAQZBGGMMHCL-UHFFFAOYSA-N 0 0 338.722 2.404 40 0 EEABRN Cc1ccc(C2=NO[C@@H](CNC(=O)NCCCn3cccn3)C2)cc1 ZINC000225744911 242015098 /nfs/dbraw/zinc/01/50/98/242015098.db2.gz HXOVOCAOBVENOP-MRXNPFEDSA-N 0 0 341.415 2.074 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747120 242110745 /nfs/dbraw/zinc/11/07/45/242110745.db2.gz DIVNMUDDLUZYBG-GOSISDBHSA-N 0 0 344.390 2.376 40 0 EEABRN Cc1ccc(NC(=O)Cn2cc(COc3ccccc3F)nn2)nc1 ZINC000227167999 242126724 /nfs/dbraw/zinc/12/67/24/242126724.db2.gz GOTGPFNNKFOKET-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN O=C(Cn1ccc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000241810031 243002565 /nfs/dbraw/zinc/00/25/65/243002565.db2.gz SCONXGJWPAEMFL-SJORKVTESA-N 0 0 326.396 2.172 40 0 EEABRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCOC[C@H]1c1ncon1 ZINC000242389696 243022305 /nfs/dbraw/zinc/02/23/05/243022305.db2.gz ZZQHWDVBROLKNT-ZDUSSCGKSA-N 0 0 340.339 2.247 40 0 EEABRN CC(C)NC(=O)[C@@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000076585566 216794512 /nfs/dbraw/zinc/79/45/12/216794512.db2.gz LFBROTGHKVXZCO-SECBINFHSA-N 0 0 334.235 2.136 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c(C)o1 ZINC000247857679 243467009 /nfs/dbraw/zinc/46/70/09/243467009.db2.gz YGQUCHWIYHBBQY-AWEZNQCLSA-N 0 0 343.383 2.139 40 0 EEABRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCOC1 ZINC000252501496 243824920 /nfs/dbraw/zinc/82/49/20/243824920.db2.gz UGOGXKSSTBYYNS-GWCFXTLKSA-N 0 0 325.206 2.448 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000253430505 243981973 /nfs/dbraw/zinc/98/19/73/243981973.db2.gz MEQCYVIRTLRNCZ-MRXNPFEDSA-N 0 0 349.381 2.356 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)no1 ZINC000253600170 244033029 /nfs/dbraw/zinc/03/30/29/244033029.db2.gz GVUSDGYDSIECRB-OAHLLOKOSA-N 0 0 343.431 2.175 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)[C@@H]4CCCOC4)CC3)cc(C)n2n1 ZINC000257202612 244124625 /nfs/dbraw/zinc/12/46/25/244124625.db2.gz AMPGYZFTHYPSGZ-MRXNPFEDSA-N 0 0 342.443 2.479 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 ZINC000257209097 244142791 /nfs/dbraw/zinc/14/27/91/244142791.db2.gz BOYNDZYNQAKKSM-HNNXBMFYSA-N 0 0 329.404 2.120 40 0 EEABRN Cc1cc(N2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)ncn1 ZINC000257216779 244170848 /nfs/dbraw/zinc/17/08/48/244170848.db2.gz CVZXXEYROLEDOT-MRXNPFEDSA-N 0 0 325.416 2.193 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)nc(C)n1 ZINC000257227403 244205036 /nfs/dbraw/zinc/20/50/36/244205036.db2.gz FPCJFMRRQZDECE-AWEZNQCLSA-N 0 0 331.445 2.498 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@@H](c3nccnc3N(C)C)C2)s1 ZINC000257228063 244208015 /nfs/dbraw/zinc/20/80/15/244208015.db2.gz FSDHGUXNVONTMA-CQSZACIVSA-N 0 0 346.456 2.055 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)COc1ccccc1 ZINC000257220684 244183174 /nfs/dbraw/zinc/18/31/74/244183174.db2.gz DLSGECMFRZWDRX-ZNWBIBPKSA-N 0 0 342.439 2.456 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cc(C)on2)cc1 ZINC000257245981 244258380 /nfs/dbraw/zinc/25/83/80/244258380.db2.gz IRYNJBURZNUKCQ-KRWDZBQOSA-N 0 0 343.383 2.037 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 ZINC000257235566 244227396 /nfs/dbraw/zinc/22/73/96/244227396.db2.gz GYJWBFRISBJGQX-OAHLLOKOSA-N 0 0 327.432 2.295 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257249407 244265362 /nfs/dbraw/zinc/26/53/62/244265362.db2.gz JIFAAGVURNPFGF-CYBMUJFWSA-N 0 0 333.413 2.054 40 0 EEABRN Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2ccncc2)C1 ZINC000257249832 244266742 /nfs/dbraw/zinc/26/67/42/244266742.db2.gz JJYGTOJWRWAMTH-GOSISDBHSA-N 0 0 336.395 2.340 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 ZINC000257266730 244363046 /nfs/dbraw/zinc/36/30/46/244363046.db2.gz MEFPERXGJPBOBW-ZDUSSCGKSA-N 0 0 344.390 2.058 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257275008 244388202 /nfs/dbraw/zinc/38/82/02/244388202.db2.gz NNPCJYFEWQVXEH-INIZCTEOSA-N 0 0 345.374 2.211 40 0 EEABRN CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(Cl)cc1 ZINC000257275072 244388524 /nfs/dbraw/zinc/38/85/24/244388524.db2.gz NNTYZHFIOZDZLB-QGZVFWFLSA-N 0 0 344.802 2.008 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@@H](c3nc(CN(C)C)c[nH]3)C2)cc1F ZINC000257278062 244399052 /nfs/dbraw/zinc/39/90/52/244399052.db2.gz OAPDELKUZNQWLK-MRXNPFEDSA-N 0 0 346.406 2.133 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257287682 244425244 /nfs/dbraw/zinc/42/52/44/244425244.db2.gz PRBNLANCIAEGCA-LBPRGKRZSA-N 0 0 332.404 2.185 40 0 EEABRN Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC000257332154 244554035 /nfs/dbraw/zinc/55/40/35/244554035.db2.gz XVYIWACJWHIHCN-CQSZACIVSA-N 0 0 326.400 2.198 40 0 EEABRN Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257342664 244575073 /nfs/dbraw/zinc/57/50/73/244575073.db2.gz ZPQBNLVJGJACAM-ZDUSSCGKSA-N 0 0 326.400 2.327 40 0 EEABRN COCC(=O)N1[C@@H]2CC[C@H]1Cc1c2cnn1-c1ccc(OC)cc1 ZINC000019592700 212050729 /nfs/dbraw/zinc/05/07/29/212050729.db2.gz MKMMRNAFVHITQV-XJKSGUPXSA-N 0 0 327.384 2.116 40 0 EEABRN COCCN1CCN(C(=O)c2ncoc2-c2ccc(Cl)cc2)CC1 ZINC000019593405 212050553 /nfs/dbraw/zinc/05/05/53/212050553.db2.gz JGASHUKSEQCSOK-UHFFFAOYSA-N 0 0 349.818 2.399 40 0 EEABRN Cc1nn(C)cc1CN1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583882 212047117 /nfs/dbraw/zinc/04/71/17/212047117.db2.gz PYZKLMDINUAJHM-INIZCTEOSA-N 0 0 339.399 2.352 40 0 EEABRN CC(C)c1cn(CC(=O)N(C)C[C@H]2OCCc3ccccc32)nn1 ZINC000019453409 212028945 /nfs/dbraw/zinc/02/89/45/212028945.db2.gz CUOMNGDOABLKOG-QGZVFWFLSA-N 0 0 328.416 2.174 40 0 EEABRN Cc1ccc(NC(=O)c2cccn(C)c2=O)cc1N1CCCC1=O ZINC000049505330 214012770 /nfs/dbraw/zinc/01/27/70/214012770.db2.gz BCYSCFKYRVXGFI-UHFFFAOYSA-N 0 0 325.368 2.073 40 0 EEABRN Cc1cnn(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1 ZINC000019239910 212008806 /nfs/dbraw/zinc/00/88/06/212008806.db2.gz RTBRYNUVYPBKSG-MRXNPFEDSA-N 0 0 336.399 2.340 40 0 EEABRN CC(C)c1noc(-c2ccnc(N(C)CCN3CCCC3=O)c2)n1 ZINC000078254640 217034600 /nfs/dbraw/zinc/03/46/00/217034600.db2.gz NDSCVHHEEXABDJ-UHFFFAOYSA-N 0 0 329.404 2.314 40 0 EEABRN CCc1noc(CN(C)C(=O)[C@@H]2CCCCN2Cc2cccnc2)n1 ZINC000078928815 217150171 /nfs/dbraw/zinc/15/01/71/217150171.db2.gz CUSVPHMEMFFOGI-HNNXBMFYSA-N 0 0 343.431 2.040 40 0 EEABRN COc1ccc(Cl)c(S(=O)(=O)NCCCn2ccnc2C)c1 ZINC000079028070 217177476 /nfs/dbraw/zinc/17/74/76/217177476.db2.gz SZMXLMRCLVRURC-UHFFFAOYSA-N 0 0 343.836 2.222 40 0 EEABRN CCCCc1nnc(S[C@H]2CCN(c3ccccc3F)C2=O)n1N ZINC000079017128 217175979 /nfs/dbraw/zinc/17/59/79/217175979.db2.gz ZWCIOQOYWAEJNI-ZDUSSCGKSA-N 0 0 349.435 2.371 40 0 EEABRN CC(C)(CNC(=O)C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000079361562 217216121 /nfs/dbraw/zinc/21/61/21/217216121.db2.gz JPOOMUMXQNGXBH-UHFFFAOYSA-N 0 0 339.233 2.122 40 0 EEABRN Cc1cnc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000079362273 217216638 /nfs/dbraw/zinc/21/66/38/217216638.db2.gz AVJXKTHCQUYJJC-UHFFFAOYSA-N 0 0 329.747 2.418 40 0 EEABRN CCN(CC1CC[NH+](CC(=O)[O-])CC1)C(=O)OCc1ccccc1 ZINC000079413817 217222548 /nfs/dbraw/zinc/22/25/48/217222548.db2.gz PRYKGLCUSRKDEX-UHFFFAOYSA-N 0 0 334.416 2.442 40 0 EEABRN CC(C)(C)OC(=O)N(C(=O)CON1C(=O)CCC1=O)c1ccccc1 ZINC000079670706 217248295 /nfs/dbraw/zinc/24/82/95/217248295.db2.gz DGGHLSQNMBEBGV-UHFFFAOYSA-N 0 0 348.355 2.035 40 0 EEABRN COc1cc(OC)cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000014734666 211756772 /nfs/dbraw/zinc/75/67/72/211756772.db2.gz JFYNDDCCHHWIIO-UHFFFAOYSA-N 0 0 345.351 2.493 40 0 EEABRN COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(CC(C)C)nn32)c1 ZINC000014607208 211747855 /nfs/dbraw/zinc/74/78/55/211747855.db2.gz MOAWVABOMVDQKH-ZDUSSCGKSA-N 0 0 343.387 2.007 40 0 EEABRN Cc1nc(C)c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000085471011 217672552 /nfs/dbraw/zinc/67/25/52/217672552.db2.gz LSXRNITXFKICFR-UHFFFAOYSA-N 0 0 340.426 2.010 40 0 EEABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccncc1)C2 ZINC000085473826 217674157 /nfs/dbraw/zinc/67/41/57/217674157.db2.gz ZJAVFPLTQIPZDP-LLVKDONJSA-N 0 0 344.440 2.296 40 0 EEABRN CCn1c(C)cc(C(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1C ZINC000085790518 217684033 /nfs/dbraw/zinc/68/40/33/217684033.db2.gz QAKQBMISYONLIP-KRWDZBQOSA-N 0 0 325.412 2.224 40 0 EEABRN O=C(CN1CCCCC1=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089763647 217838864 /nfs/dbraw/zinc/83/88/64/217838864.db2.gz BPWXGJRMDBUWGB-OAHLLOKOSA-N 0 0 336.819 2.332 40 0 EEABRN O=C(c1cccs1)N1CCC[C@H]1Cn1nnc(-c2cccnc2)n1 ZINC000012407379 211370209 /nfs/dbraw/zinc/37/02/09/211370209.db2.gz DHLOGYOKUCUQIQ-ZDUSSCGKSA-N 0 0 340.412 2.101 40 0 EEABRN COc1cccc2c1cc(C(=O)NC[C@H](C)n1nc(C)nc1C)n2C ZINC000012148385 211308022 /nfs/dbraw/zinc/30/80/22/211308022.db2.gz KMWUAZAKUIZJGI-NSHDSACASA-N 0 0 341.415 2.386 40 0 EEABRN Cc1ncc(CN2CCS(=O)(=O)C(C)(C)C2)n1-c1ccccc1 ZINC000093735457 218245696 /nfs/dbraw/zinc/24/56/96/218245696.db2.gz BPHYSJNOXLJQKA-UHFFFAOYSA-N 0 0 333.457 2.190 40 0 EEABRN COC(=O)CSc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000008844273 211010167 /nfs/dbraw/zinc/01/01/67/211010167.db2.gz RIGRQVMEASVZCX-SECBINFHSA-N 0 0 343.405 2.407 40 0 EEABRN O=C(Cc1ccc(O)cc1)N1CCN(CCc2cccs2)CC1 ZINC000095414327 218352252 /nfs/dbraw/zinc/35/22/52/218352252.db2.gz LLFJAEBDUQDSBJ-UHFFFAOYSA-N 0 0 330.453 2.383 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=N[C@@H]2c1ccncc1 ZINC000007499342 210807309 /nfs/dbraw/zinc/80/73/09/210807309.db2.gz HLTLOJHHUBINQZ-INIZCTEOSA-N 0 0 332.367 2.387 40 0 EEABRN O=C(c1ncccn1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096109332 218604755 /nfs/dbraw/zinc/60/47/55/218604755.db2.gz HTHDSOMLJNUOOE-APWZRJJASA-N 0 0 338.411 2.331 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@H]2OC)cc1 ZINC000096110279 218605568 /nfs/dbraw/zinc/60/55/68/218605568.db2.gz NYABCNJQLFZIHP-MAUKXSAKSA-N 0 0 343.427 2.149 40 0 EEABRN CCc1nn(CC(=O)N(CC)CC)c(=O)c2cc3sccc3n21 ZINC000006749411 210700710 /nfs/dbraw/zinc/70/07/10/210700710.db2.gz NXGPQDUEZLQGLR-UHFFFAOYSA-N 0 0 332.429 2.142 40 0 EEABRN C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[S@](C)=O ZINC000096408769 218760888 /nfs/dbraw/zinc/76/08/88/218760888.db2.gz PQFMZNNGJBOLGH-GIGQVBGESA-N 0 0 347.278 2.058 40 0 EEABRN CCn1nnnc1-c1cccc(NCC(=O)NCc2cccs2)c1 ZINC000096414797 218772976 /nfs/dbraw/zinc/77/29/76/218772976.db2.gz SGSMPGIBLNCCFK-UHFFFAOYSA-N 0 0 342.428 2.150 40 0 EEABRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000096426811 218797720 /nfs/dbraw/zinc/79/77/20/218797720.db2.gz UEBFRKLYZLJQSI-NSHDSACASA-N 0 0 347.337 2.246 40 0 EEABRN O=C(CSCc1nnnn1C1CC1)NC1(c2ccccc2)CCC1 ZINC000096433410 218809320 /nfs/dbraw/zinc/80/93/20/218809320.db2.gz SXJGOWDLBUFDQI-UHFFFAOYSA-N 0 0 343.456 2.437 40 0 EEABRN CN(Cc1ccsc1)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096435917 218814307 /nfs/dbraw/zinc/81/43/07/218814307.db2.gz BQEXOVRMHZSAFE-OAHLLOKOSA-N 0 0 342.420 2.226 40 0 EEABRN C[C@@](O)(CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccsc1 ZINC000096444481 218826636 /nfs/dbraw/zinc/82/66/36/218826636.db2.gz YXGFHIKMWQOYMH-QGZVFWFLSA-N 0 0 328.393 2.227 40 0 EEABRN Cc1nc(-c2ccc(C(=O)OCCCn3ccccc3=O)cc2)n[nH]1 ZINC000096470524 218848438 /nfs/dbraw/zinc/84/84/38/218848438.db2.gz CHZVMEPAZLJCME-UHFFFAOYSA-N 0 0 338.367 2.189 40 0 EEABRN CCn1cnnc1CNC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000096468801 218848691 /nfs/dbraw/zinc/84/86/91/218848691.db2.gz RAYBPBAAGBPIOO-UHFFFAOYSA-N 0 0 325.376 2.114 40 0 EEABRN CCc1nc2cc(NC(=O)NCCc3nnc4n3CCC4)ccc2o1 ZINC000096454966 218839286 /nfs/dbraw/zinc/83/92/86/218839286.db2.gz JAILXGGAQWTUIB-UHFFFAOYSA-N 0 0 340.387 2.292 40 0 EEABRN Nc1ncc(Cl)cc1S(=O)(=O)N(CC1CC1)CC(F)(F)F ZINC000096483674 218859239 /nfs/dbraw/zinc/85/92/39/218859239.db2.gz MFGFCVJORKIFDV-UHFFFAOYSA-N 0 0 343.758 2.280 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccccc1F ZINC000096518163 218881700 /nfs/dbraw/zinc/88/17/00/218881700.db2.gz PFLCDPKCYBZVKF-SECBINFHSA-N 0 0 329.574 2.341 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1ccccc1F ZINC000096521393 218881798 /nfs/dbraw/zinc/88/17/98/218881798.db2.gz PDQMPWQQERIYDC-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000005089814 210387000 /nfs/dbraw/zinc/38/70/00/210387000.db2.gz FBYRQZCZAKYBTR-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN COc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2N)cc1 ZINC000004985022 210349169 /nfs/dbraw/zinc/34/91/69/210349169.db2.gz MDTQPDHPSYXIMF-UHFFFAOYSA-N 0 0 327.319 2.250 40 0 EEABRN COc1cccc(OC)c1NC(=O)C1CCN(c2ncccn2)CC1 ZINC000004965898 210342384 /nfs/dbraw/zinc/34/23/84/210342384.db2.gz WFLLTACKPCEGQH-UHFFFAOYSA-N 0 0 342.399 2.349 40 0 EEABRN COc1ccc(C(=O)N(C)Cc2ccc(C)s2)cc1-n1cnnn1 ZINC000097237636 219003267 /nfs/dbraw/zinc/00/32/67/219003267.db2.gz PGPRZAIFJAVTKL-UHFFFAOYSA-N 0 0 343.412 2.313 40 0 EEABRN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC000257339771 257916781 /nfs/dbraw/zinc/91/67/81/257916781.db2.gz ZDCGOWNUCXILOZ-CQSZACIVSA-N 0 0 334.383 2.200 40 0 EEABRN CC[S@](=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000291415414 257986085 /nfs/dbraw/zinc/98/60/85/257986085.db2.gz HBDULLJXCZVFGO-QHCPKHFHSA-N 0 0 348.390 2.134 40 0 EEABRN O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccccc1Cl ZINC000004553487 258050978 /nfs/dbraw/zinc/05/09/78/258050978.db2.gz UISFJWYHUSOLPO-OJXGSEEGSA-N 0 0 344.798 2.476 40 0 EEABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000057606342 258061775 /nfs/dbraw/zinc/06/17/75/258061775.db2.gz HZZLZYNBGHJMRR-JTQLQIEISA-N 0 0 336.775 2.076 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCN(c2ncccc2F)CC1 ZINC000084484021 132820248 /nfs/dbraw/zinc/82/02/48/132820248.db2.gz BWTLTKPPXGGBNL-UHFFFAOYSA-N 0 0 333.338 2.087 40 0 EEABRN CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826807 286662365 /nfs/dbraw/zinc/66/23/65/286662365.db2.gz IAMPJYRCHSXFDS-UHFFFAOYSA-N 0 0 343.832 2.490 40 0 EEABRN CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cnc2N)C1(C)C ZINC000154634425 159689603 /nfs/dbraw/zinc/68/96/03/159689603.db2.gz FNMWBONYCVTZNC-RYUDHWBXSA-N 0 0 347.868 2.141 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000096474783 286812897 /nfs/dbraw/zinc/81/28/97/286812897.db2.gz NHBRSQDVHJUCBQ-IINYFYTJSA-N 0 0 344.864 2.450 40 0 EEABRN CN1C(=O)C(Br)(Br)C[C@@H]1c1cccnc1 ZINC000005487360 289790963 /nfs/dbraw/zinc/79/09/63/289790963.db2.gz AUVVLHBHNHNTLK-MRVPVSSYSA-N 0 0 334.011 2.471 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H]1CCCCNC1=O ZINC000164439495 226073511 /nfs/dbraw/zinc/07/35/11/226073511.db2.gz DNSGZZCFXSMUIX-PBHICJAKSA-N 0 0 345.443 2.083 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000072238076 277009952 /nfs/dbraw/zinc/00/99/52/277009952.db2.gz OIIPHNLCMGTVBP-ROUUACIJSA-N 0 0 342.370 2.040 40 0 EEABRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1=O ZINC000096466691 277278144 /nfs/dbraw/zinc/27/81/44/277278144.db2.gz DUZCUZAVQFVCSQ-HNNXBMFYSA-N 0 0 340.427 2.178 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CC[C@@H]2OC)cc1 ZINC000096110589 277902322 /nfs/dbraw/zinc/90/23/22/277902322.db2.gz NNJXQRHAUJCDNJ-YJBOKZPZSA-N 0 0 343.427 2.149 40 0 EEABRN COc1cccc2c1OC1(CC[NH+](CC(=O)[O-])CC1)[C@H]1CCCO[C@H]21 ZINC000257249452 278038670 /nfs/dbraw/zinc/03/86/70/278038670.db2.gz JILCUKWXGRWLAX-WMLDXEAASA-N 0 0 347.411 2.475 40 0 EEABRN C[C@H](c1nnnn1C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577060 278316760 /nfs/dbraw/zinc/31/67/60/278316760.db2.gz HYVKEZKPYXPJFO-NEPJUHHUSA-N 0 0 332.477 2.486 40 0 EEABRN CC(C)(C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113966014 278356094 /nfs/dbraw/zinc/35/60/94/278356094.db2.gz OYRBGALPGXNTNB-UHFFFAOYSA-N 0 0 330.425 2.287 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000090635863 278389607 /nfs/dbraw/zinc/38/96/07/278389607.db2.gz YFQLPDPRWARYJU-AWEZNQCLSA-N 0 0 335.404 2.150 40 0 EEABRN O=C(N[C@H]1CCc2cc(Br)ccc21)[C@@H]1CSC(=O)N1 ZINC000096444654 279985629 /nfs/dbraw/zinc/98/56/29/279985629.db2.gz UCYGNJWRZYEWIC-QWRGUYRKSA-N 0 0 341.230 2.378 40 0 EEABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223634388 288713345 /nfs/dbraw/zinc/71/33/45/288713345.db2.gz HEIINJDIWPEEGW-CVEARBPZSA-N 0 0 330.457 2.258 40 0 EEABRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccnc3c2nnn3C)C1 ZINC000283087787 292892846 /nfs/dbraw/zinc/89/28/46/292892846.db2.gz WEXWAFKLSRCIOR-GFCCVEGCSA-N 0 0 336.399 2.096 40 0 EEABRN Cc1nsc(C)c1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000292934851 293082066 /nfs/dbraw/zinc/08/20/66/293082066.db2.gz XHGYQLUADKUMST-UHFFFAOYSA-N 0 0 331.445 2.211 40 0 EEABRN Cn1cccc1C(=O)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257273060 294377522 /nfs/dbraw/zinc/37/75/22/294377522.db2.gz NFCDULQKQSIMSF-ZDUSSCGKSA-N 0 0 325.372 2.141 40 0 EEABRN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2ccc(Cl)s2)cn1 ZINC000331526333 311866432 /nfs/dbraw/zinc/86/64/32/311866432.db2.gz DHVZZGGNOAJWLF-LBPRGKRZSA-N 0 0 345.877 2.107 40 0 EEABRN Cc1cc2c(cc1C)[C@H](C(=O)N1CCNC[C@@H]1c1ccncc1)CO2 ZINC000333266349 312121261 /nfs/dbraw/zinc/12/12/61/312121261.db2.gz JOOGPMRLSLUXSW-QZTJIDSGSA-N 0 0 337.423 2.348 40 0 EEABRN O=S(=O)(CCC1CCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000333446204 312148757 /nfs/dbraw/zinc/14/87/57/312148757.db2.gz QRFUBYAAZSLQNM-ZDUSSCGKSA-N 0 0 330.475 2.427 40 0 EEABRN CN1CCN(c2ncc(CNc3cnc4ccccc4c3)cn2)CC1 ZINC000097376097 323322329 /nfs/dbraw/zinc/32/23/29/323322329.db2.gz WOJFJOLYWUCTSV-UHFFFAOYSA-N 0 0 334.427 2.389 40 0 EEABRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N[C@@H]1CCc2ncnn2C1 ZINC000133611933 323329622 /nfs/dbraw/zinc/32/96/22/323329622.db2.gz OXLRUILYFHYYDM-PWSUYJOCSA-N 0 0 331.342 2.013 40 0 EEABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnc2)cc1 ZINC000016401079 462978470 /nfs/dbraw/zinc/97/84/70/462978470.db2.gz OPLCCIZMAYLFEX-UHFFFAOYSA-N 0 0 349.394 2.356 40 0 EEABRN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000000207887 462547942 /nfs/dbraw/zinc/54/79/42/462547942.db2.gz FKNCJQGBTGGTFC-XJIUQZFPSA-N 0 0 333.771 2.190 40 0 EEABRN OC[C@@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297645 462553277 /nfs/dbraw/zinc/55/32/77/462553277.db2.gz VJZJGRMLFMJRGG-RISCZKNCSA-N 0 0 329.183 2.451 40 0 EEABRN CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccco3)cc2c1 ZINC000000416706 462559978 /nfs/dbraw/zinc/55/99/78/462559978.db2.gz LJEAYPRFTHTBQB-UHFFFAOYSA-N 0 0 340.379 2.318 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)NCc1csc2ccccc12 ZINC000086366382 462571228 /nfs/dbraw/zinc/57/12/28/462571228.db2.gz GELKUZCVEIMFMI-UHFFFAOYSA-N 0 0 341.440 2.481 40 0 EEABRN CCCn1nnnc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 ZINC000000569726 462571424 /nfs/dbraw/zinc/57/14/24/462571424.db2.gz HWNCIBPMBHAQNE-UHFFFAOYSA-N 0 0 338.824 2.172 40 0 EEABRN Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1 ZINC000001692545 462584906 /nfs/dbraw/zinc/58/49/06/462584906.db2.gz PSOMITOELGTSMR-UHFFFAOYSA-N 0 0 330.365 2.236 40 0 EEABRN CCOc1ccc(OCC)c(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCC3)c1 ZINC000002439953 462593565 /nfs/dbraw/zinc/59/35/65/462593565.db2.gz LKHQDSOBZKZEHU-UHFFFAOYSA-N 0 0 330.384 2.215 40 0 EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002635200 462598098 /nfs/dbraw/zinc/59/80/98/462598098.db2.gz XIRVNBAIMNFIMK-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Cc1cccc(C)c1N(Cc1ccc(C(N)=O)cc1)S(C)(=O)=O ZINC000113965706 462618707 /nfs/dbraw/zinc/61/87/07/462618707.db2.gz AVKUQJRPWAFCSJ-UHFFFAOYSA-N 0 0 332.425 2.369 40 0 EEABRN CCOC(=O)[C@@](O)(C(=O)OC)c1ccc(N(C)c2ccccc2)cc1 ZINC000003845378 462625556 /nfs/dbraw/zinc/62/55/56/462625556.db2.gz KKTPUIUIYUMUNG-IBGZPJMESA-N 0 0 343.379 2.378 40 0 EEABRN C[C@@H]1CN(c2ncc3c(=O)n(-c4ccc(F)cc4)cc-3[nH]2)C[C@H](C)O1 ZINC000046087053 462645738 /nfs/dbraw/zinc/64/57/38/462645738.db2.gz NFQUWXHYQDVPTP-TXEJJXNPSA-N 0 0 342.374 2.390 40 0 EEABRN COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000005578727 462662686 /nfs/dbraw/zinc/66/26/86/462662686.db2.gz GEELYIZTJQCSGR-UHFFFAOYSA-N 0 0 338.429 2.218 40 0 EEABRN COc1ccc(-c2ccnc(S[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000005917836 462672610 /nfs/dbraw/zinc/67/26/10/462672610.db2.gz VRAIMWGCTJDFLX-ZDUSSCGKSA-N 0 0 336.438 2.431 40 0 EEABRN CCN(CC)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000005952334 462673023 /nfs/dbraw/zinc/67/30/23/462673023.db2.gz JSKNXUHJBVZYNZ-UHFFFAOYSA-N 0 0 332.853 2.283 40 0 EEABRN CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000006326307 462683033 /nfs/dbraw/zinc/68/30/33/462683033.db2.gz GVHPSVBFNLAYBJ-QPEQYQDCSA-N 0 0 334.397 2.201 40 0 EEABRN CC(C)OCCCNC(=O)C(=O)Nc1ccccc1Br ZINC000006328098 462683153 /nfs/dbraw/zinc/68/31/53/462683153.db2.gz MIEONUGCLVWGCM-UHFFFAOYSA-N 0 0 343.221 2.319 40 0 EEABRN COc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)C)cs2)cc1 ZINC000006680297 462697030 /nfs/dbraw/zinc/69/70/30/462697030.db2.gz XOPUDUWJQNSVPV-UHFFFAOYSA-N 0 0 341.410 2.226 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1 ZINC000006680355 462697686 /nfs/dbraw/zinc/69/76/86/462697686.db2.gz AWTCRZZQLRWRHI-UHFFFAOYSA-N 0 0 340.426 2.346 40 0 EEABRN Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccc(F)c1 ZINC000006961993 462714103 /nfs/dbraw/zinc/71/41/03/462714103.db2.gz HOFVPSRSCJPNJW-QPEQYQDCSA-N 0 0 326.331 2.335 40 0 EEABRN COCCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O ZINC000008104365 462766897 /nfs/dbraw/zinc/76/68/97/462766897.db2.gz YTMUDDQRRDMUKG-UVTDQMKNSA-N 0 0 348.380 2.280 40 0 EEABRN O=C1Nc2ccc(/C=C/c3ccccc3)cc2C(=O)N2C[C@H](O)C[C@@H]12 ZINC000008297178 462777404 /nfs/dbraw/zinc/77/74/04/462777404.db2.gz HIAHNCPXMFOGNU-FVQGUVRESA-N 0 0 334.375 2.385 40 0 biogenic,in-vitro EEABRN Cc1ccccc1-n1nc(C(=O)NCCO)nc1-c1ccc(F)cc1 ZINC000008476581 462784316 /nfs/dbraw/zinc/78/43/16/462784316.db2.gz HFQWQGNTNHALJP-UHFFFAOYSA-N 0 0 340.358 2.104 40 0 EEABRN CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1 ZINC000008476004 462784583 /nfs/dbraw/zinc/78/45/83/462784583.db2.gz ORBCHKILGFLJFI-UHFFFAOYSA-N 0 0 348.424 2.418 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000008662707 462790450 /nfs/dbraw/zinc/79/04/50/462790450.db2.gz GLCKGAYZJHRDBJ-UHFFFAOYSA-N 0 0 336.388 2.226 40 0 EEABRN [NH3+][C@H](CC(=O)[O-])c1cnc(Nc2ccc(Br)cc2)nc1 ZINC000008702932 462791669 /nfs/dbraw/zinc/79/16/69/462791669.db2.gz TZVXXICQNQTCSJ-LLVKDONJSA-N 0 0 337.177 2.457 40 0 EEABRN CCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010367137 462819074 /nfs/dbraw/zinc/81/90/74/462819074.db2.gz LJNWFRILPPQOME-LLVKDONJSA-N 0 0 332.853 2.329 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F ZINC000048230632 462876785 /nfs/dbraw/zinc/87/67/85/462876785.db2.gz NGJXVUSCCWSMRY-SECBINFHSA-N 0 0 335.360 2.035 40 0 EEABRN CC(C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000076585567 462880877 /nfs/dbraw/zinc/88/08/77/462880877.db2.gz LFBROTGHKVXZCO-VIFPVBQESA-N 0 0 334.235 2.136 40 0 EEABRN CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1cccc(Br)c1 ZINC000076585656 462880990 /nfs/dbraw/zinc/88/09/90/462880990.db2.gz QYXPTMYDVDYIGB-JTQLQIEISA-N 0 0 348.262 2.480 40 0 EEABRN O=C(NC[C@H](O)C1CCOCC1)c1ccc(F)cc1Br ZINC000077049593 462938726 /nfs/dbraw/zinc/93/87/26/462938726.db2.gz ZTSAAVFFKTZABZ-ZDUSSCGKSA-N 0 0 346.196 2.106 40 0 EEABRN CC(=O)NCCC(=O)N1CCCc2cc(Br)ccc21 ZINC000049117464 462954884 /nfs/dbraw/zinc/95/48/84/462954884.db2.gz NSCVYSLKZPWNHO-UHFFFAOYSA-N 0 0 325.206 2.255 40 0 EEABRN CCOC(=O)[C@@H]1Cc2c(=O)[nH]c(=S)[nH]c2O[C@H]1c1ccccc1 ZINC000017126507 462996213 /nfs/dbraw/zinc/99/62/13/462996213.db2.gz LIWQKHOSGMYYSE-PWSUYJOCSA-N 0 0 332.381 2.326 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000077837446 463059643 /nfs/dbraw/zinc/05/96/43/463059643.db2.gz GYLOVBDYZKWGJQ-UHFFFAOYSA-N 0 0 336.779 2.027 40 0 EEABRN CCOC(=O)c1nn(C(C)(C)C)c(N)c1I ZINC000095094656 463067068 /nfs/dbraw/zinc/06/70/68/463067068.db2.gz DYXHYPYAAYBASN-UHFFFAOYSA-N 0 0 337.161 2.002 40 0 EEABRN NC(=O)CN1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000095462942 463089919 /nfs/dbraw/zinc/08/99/19/463089919.db2.gz UWUVVQZWXNVFIT-UHFFFAOYSA-N 0 0 339.226 2.149 40 0 EEABRN CC(C)Oc1cncc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000134901611 463093373 /nfs/dbraw/zinc/09/33/73/463093373.db2.gz OUTHOCWXZMVYPT-CQSZACIVSA-N 0 0 330.388 2.142 40 0 EEABRN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccncc2)C1 ZINC000095864956 463109350 /nfs/dbraw/zinc/10/93/50/463109350.db2.gz KOVNJSQFKBLESW-KBPBESRZSA-N 0 0 335.404 2.196 40 0 EEABRN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)NC1CC1 ZINC000096024388 463141115 /nfs/dbraw/zinc/14/11/15/463141115.db2.gz CKXJLFXHDBXYTP-UHFFFAOYSA-N 0 0 332.429 2.256 40 0 EEABRN CC[C@H](C)N(Cc1ccccc1)C(=O)CCC(=O)N1CCOCC1 ZINC000078718590 463142427 /nfs/dbraw/zinc/14/24/27/463142427.db2.gz IKVSQFOFSXWWIG-INIZCTEOSA-N 0 0 332.444 2.453 40 0 EEABRN CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000135335244 463144253 /nfs/dbraw/zinc/14/42/53/463144253.db2.gz ZNWWEFMIIBFRFK-KBAYOESNSA-N 0 0 334.460 2.497 40 0 EEABRN c1ccc(OC[C@@]23CCCO[C@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040354 463145691 /nfs/dbraw/zinc/14/56/91/463145691.db2.gz WAYOXGFZSBQLIN-YJBOKZPZSA-N 0 0 326.400 2.326 40 0 EEABRN Cc1occc1C(=O)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041866 463146448 /nfs/dbraw/zinc/14/64/48/463146448.db2.gz FYBBZVNIAANEAX-ZMSDIMECSA-N 0 0 328.368 2.434 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccc(F)cc2)Cc2nnn(CC3CC3)c21 ZINC000096045574 463149738 /nfs/dbraw/zinc/14/97/38/463149738.db2.gz OZBHONWICWJIBG-AWEZNQCLSA-N 0 0 344.390 2.213 40 0 EEABRN COc1ccc(S(=O)(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1F ZINC000096045929 463150108 /nfs/dbraw/zinc/15/01/08/463150108.db2.gz SECIHMLINZYVTP-MJVIPROJSA-N 0 0 329.393 2.022 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)no1 ZINC000096045981 463150794 /nfs/dbraw/zinc/15/07/94/463150794.db2.gz BFMAAMHPFCJQTK-FPMFFAJLSA-N 0 0 344.371 2.236 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)N2CCCC2)CC3)c1 ZINC000096051740 463154720 /nfs/dbraw/zinc/15/47/20/463154720.db2.gz XMHWDAMRZNVZEY-MRXNPFEDSA-N 0 0 344.459 2.215 40 0 EEABRN O=C(c1cccs1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 ZINC000096058679 463159704 /nfs/dbraw/zinc/15/97/04/463159704.db2.gz XGGPCAUESGNWCY-GFCCVEGCSA-N 0 0 329.425 2.283 40 0 EEABRN CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096065482 463163603 /nfs/dbraw/zinc/16/36/03/463163603.db2.gz YVULARZQQNQPOA-JYJNAYRXSA-N 0 0 349.500 2.381 40 0 EEABRN O=S(=O)(NCCn1ccc(C(F)(F)F)n1)C1CCCCC1 ZINC000096099021 463172374 /nfs/dbraw/zinc/17/23/74/463172374.db2.gz MVGJEEBCDFVKBQ-UHFFFAOYSA-N 0 0 325.356 2.154 40 0 EEABRN Cc1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)n1 ZINC000096184577 463195558 /nfs/dbraw/zinc/19/55/58/463195558.db2.gz WNTIPXWRUWEDDR-CVEARBPZSA-N 0 0 328.441 2.336 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1cccs1)CC2 ZINC000096197414 463203411 /nfs/dbraw/zinc/20/34/11/463203411.db2.gz UYAQDGJHTQCKDU-UHFFFAOYSA-N 0 0 330.457 2.377 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(C(=O)CCOc1ccccc1)C2 ZINC000096198077 463204202 /nfs/dbraw/zinc/20/42/02/463204202.db2.gz WQPOUZPFGKYBQZ-INIZCTEOSA-N 0 0 343.427 2.444 40 0 EEABRN O=C(c1ccccc1)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199476 463204493 /nfs/dbraw/zinc/20/44/93/463204493.db2.gz ITDGIVYAVWZLJY-KRWDZBQOSA-N 0 0 335.407 2.360 40 0 EEABRN c1csc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202246 463207426 /nfs/dbraw/zinc/20/74/26/463207426.db2.gz HLSLBECGMWSPCQ-QGZVFWFLSA-N 0 0 330.457 2.267 40 0 EEABRN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1nccs1)CC2 ZINC000096208245 463212648 /nfs/dbraw/zinc/21/26/48/463212648.db2.gz XLFYFCAQSZCLKA-HNNXBMFYSA-N 0 0 349.500 2.240 40 0 EEABRN CCOC[C@H]1Cn2cncc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096209730 463213741 /nfs/dbraw/zinc/21/37/41/463213741.db2.gz CQHMZYORRDRZBZ-HNNXBMFYSA-N 0 0 349.456 2.049 40 0 EEABRN CCN(C)c1ccnc([C@H]2COCCN2Cc2scnc2C)n1 ZINC000096217103 463215664 /nfs/dbraw/zinc/21/56/64/463215664.db2.gz AHYFSQRUGOMVOM-CYBMUJFWSA-N 0 0 333.461 2.271 40 0 EEABRN CC(C)NC(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096224424 463219112 /nfs/dbraw/zinc/21/91/12/463219112.db2.gz SNYDSPYEXMFYLW-SFHVURJKSA-N 0 0 330.432 2.014 40 0 EEABRN O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226284 463220714 /nfs/dbraw/zinc/22/07/14/463220714.db2.gz CBJHGMTXOODUHR-IEBWSBKVSA-N 0 0 348.418 2.203 40 0 EEABRN O=C(CC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239756 463224335 /nfs/dbraw/zinc/22/43/35/463224335.db2.gz ZJTMWMFODNWBCX-MRXNPFEDSA-N 0 0 336.386 2.341 40 0 EEABRN O=C(c1ccncc1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096239259 463224738 /nfs/dbraw/zinc/22/47/38/463224738.db2.gz XFLDQJWIAWIKEX-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN Cc1ccccc1C(=O)N1C[C@H](C(=O)NC(C)C)C2(C1)CCOCC2 ZINC000096240773 463225095 /nfs/dbraw/zinc/22/50/95/463225095.db2.gz MPOIHFHYAQPTNL-QGZVFWFLSA-N 0 0 344.455 2.388 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ncnc(N4CCCC4)c3CC2)cn1 ZINC000096255450 463228514 /nfs/dbraw/zinc/22/85/14/463228514.db2.gz OWCSOUFTXRCMOW-UHFFFAOYSA-N 0 0 337.427 2.021 40 0 EEABRN Cc1cccc(CN2CCCn3c(CN(C)C(C)C)nnc3C2)n1 ZINC000096259713 463229861 /nfs/dbraw/zinc/22/98/61/463229861.db2.gz NXWWJQCIWOSATP-UHFFFAOYSA-N 0 0 328.464 2.228 40 0 EEABRN CCN1CCCN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1 ZINC000096409584 463242676 /nfs/dbraw/zinc/24/26/76/463242676.db2.gz GFYPDLDVAFETBK-UHFFFAOYSA-N 0 0 349.456 2.366 40 0 EEABRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2nnnn2C2CC2)C1 ZINC000096414974 463247044 /nfs/dbraw/zinc/24/70/44/463247044.db2.gz QRQPWMYVXBTGIN-CYBMUJFWSA-N 0 0 329.379 2.242 40 0 EEABRN COc1ccc(CS(=O)(=O)C[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000158697712 463247337 /nfs/dbraw/zinc/24/73/37/463247337.db2.gz CGALHTIJJLHGCR-JTQLQIEISA-N 0 0 332.727 2.187 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)CNC(=O)NCc2ccco2)s1 ZINC000096414570 463247499 /nfs/dbraw/zinc/24/74/99/463247499.db2.gz DVVANSOUEBSYHZ-NSHDSACASA-N 0 0 335.429 2.196 40 0 EEABRN CC1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCOCC1 ZINC000096416704 463249440 /nfs/dbraw/zinc/24/94/40/463249440.db2.gz UHUOCSKSYUZKJK-AWEZNQCLSA-N 0 0 336.819 2.378 40 0 EEABRN Cc1cnn(CC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000096419980 463251286 /nfs/dbraw/zinc/25/12/86/463251286.db2.gz YRAFNMRWUPFLDT-ZDUSSCGKSA-N 0 0 328.199 2.348 40 0 EEABRN CN(C)C(=O)Nc1cccc(CNC(=O)CCc2ccccn2)c1 ZINC000096423189 463253679 /nfs/dbraw/zinc/25/36/79/463253679.db2.gz VBDSGFLUFIOOKU-UHFFFAOYSA-N 0 0 326.400 2.424 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000096423419 463253730 /nfs/dbraw/zinc/25/37/30/463253730.db2.gz QFNYDGPITDPECM-OWCLPIDISA-N 0 0 334.460 2.099 40 0 EEABRN Cc1ccc(N(C)C(C)C)c(C(=O)N2CCS(=O)(=O)C[C@H]2C)c1 ZINC000096423771 463253874 /nfs/dbraw/zinc/25/38/74/463253874.db2.gz FLBFFSOUIHPMIN-CQSZACIVSA-N 0 0 338.473 2.099 40 0 EEABRN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096423931 463253924 /nfs/dbraw/zinc/25/39/24/463253924.db2.gz XTUZHNFJXYHBRL-STQMWFEESA-N 0 0 338.411 2.177 40 0 EEABRN CCCCc1nc(CNc2ccc(F)c(-n3nnnc3C)c2)no1 ZINC000096427512 463256826 /nfs/dbraw/zinc/25/68/26/463256826.db2.gz IJKGWXILAKZFIN-UHFFFAOYSA-N 0 0 331.355 2.448 40 0 EEABRN Nn1c(SCc2noc3c2CCCC3)nnc1C1CCOCC1 ZINC000096430265 463258983 /nfs/dbraw/zinc/25/89/83/463258983.db2.gz PYADGXZFBSEEAB-UHFFFAOYSA-N 0 0 335.433 2.045 40 0 EEABRN Cc1ccc(N2CCC(Nc3cnn(C)c(=O)c3Cl)CC2)nc1 ZINC000096429570 463259214 /nfs/dbraw/zinc/25/92/14/463259214.db2.gz QGYMLIZYPCQDFM-UHFFFAOYSA-N 0 0 333.823 2.218 40 0 EEABRN CNC(=O)c1ccccc1OCC(=O)N[C@H](C)Cc1ccccc1C ZINC000096428850 463259372 /nfs/dbraw/zinc/25/93/72/463259372.db2.gz ICOVACSPVBTNMM-OAHLLOKOSA-N 0 0 340.423 2.481 40 0 EEABRN Cc1ccc(O[C@H](C)CNC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 ZINC000096431397 463261313 /nfs/dbraw/zinc/26/13/13/463261313.db2.gz QOXYMRWKPDTGIL-KGLIPLIRSA-N 0 0 330.384 2.290 40 0 EEABRN COc1cccc(-c2noc([C@@H](C)NC(=O)[C@H](C)n3cccn3)n2)c1 ZINC000096432749 463261507 /nfs/dbraw/zinc/26/15/07/463261507.db2.gz VILVEKAVZBILNG-NEPJUHHUSA-N 0 0 341.371 2.380 40 0 EEABRN O=C(Nc1ccn(Cc2ccccn2)n1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000096435045 463262584 /nfs/dbraw/zinc/26/25/84/463262584.db2.gz BZJRQFFNVBJZMP-LSDHHAIUSA-N 0 0 327.388 2.112 40 0 EEABRN CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1nccn1C(F)F ZINC000096443505 463268235 /nfs/dbraw/zinc/26/82/35/463268235.db2.gz RAQWOSAXRIULNW-UHFFFAOYSA-N 0 0 333.342 2.189 40 0 EEABRN CS(=O)(=O)CCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096447096 463271394 /nfs/dbraw/zinc/27/13/94/463271394.db2.gz GVEWTSGFNPSXME-ZDUSSCGKSA-N 0 0 337.363 2.123 40 0 EEABRN C[C@@H](NC(=O)c1ccnc(C2CC2)n1)C1(N2CCOCC2)CCCC1 ZINC000096449728 463272239 /nfs/dbraw/zinc/27/22/39/463272239.db2.gz KZCQSLMLFXRXJL-CQSZACIVSA-N 0 0 344.459 2.117 40 0 EEABRN CC[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)Oc1ccccc1Cl ZINC000096451819 463273173 /nfs/dbraw/zinc/27/31/73/463273173.db2.gz JWSLDBZMPGYDHH-STQMWFEESA-N 0 0 338.835 2.482 40 0 EEABRN C[C@H](CNC(=O)c1csnn1)Oc1ccccc1Br ZINC000096451777 463273188 /nfs/dbraw/zinc/27/31/88/463273188.db2.gz CJCKHAHSCFMJCL-MRVPVSSYSA-N 0 0 342.218 2.498 40 0 EEABRN CC(C)S(=O)(=O)CCS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000096455457 463275101 /nfs/dbraw/zinc/27/51/01/463275101.db2.gz HUTBQYPWDBUANR-OAHLLOKOSA-N 0 0 330.471 2.302 40 0 EEABRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000096456485 463275161 /nfs/dbraw/zinc/27/51/61/463275161.db2.gz FUKBEPNTLYDHMA-MWLCHTKSSA-N 0 0 348.790 2.046 40 0 EEABRN Cc1csc(CCCNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000096456350 463275367 /nfs/dbraw/zinc/27/53/67/463275367.db2.gz CQKWTVXPEUKNEZ-LBPRGKRZSA-N 0 0 338.477 2.083 40 0 EEABRN CC[C@@H](C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccccc2C)c1 ZINC000096483515 463283014 /nfs/dbraw/zinc/28/30/14/463283014.db2.gz AXKMBZDNOQKBKW-HIFRSBDPSA-N 0 0 337.445 2.174 40 0 EEABRN Cc1csc(-c2cccc(OC[C@H](O)CN3CCOCC3)c2)n1 ZINC000096484803 463283432 /nfs/dbraw/zinc/28/34/32/463283432.db2.gz NUFKUWDVXMPQHC-OAHLLOKOSA-N 0 0 334.441 2.190 40 0 EEABRN COC(C)(C)CNC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000096485660 463284146 /nfs/dbraw/zinc/28/41/46/463284146.db2.gz MSGRXIBKMXZTQN-UHFFFAOYSA-N 0 0 343.221 2.237 40 0 EEABRN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccn(C)c1 ZINC000096489461 463285305 /nfs/dbraw/zinc/28/53/05/463285305.db2.gz CDKULDYPMYAXTQ-UHFFFAOYSA-N 0 0 329.400 2.257 40 0 EEABRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000055546562 463330762 /nfs/dbraw/zinc/33/07/62/463330762.db2.gz HIORMEAEKRKFLW-UHFFFAOYSA-N 0 0 339.438 2.224 40 0 EEABRN COc1ccc(C(F)(F)C(=O)Nc2ccccc2CC(N)=O)cc1 ZINC000097229767 463350734 /nfs/dbraw/zinc/35/07/34/463350734.db2.gz LBIQRKCGEVZGPD-UHFFFAOYSA-N 0 0 334.322 2.454 40 0 EEABRN Cc1cccc2c1CCN2Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000097236472 463353047 /nfs/dbraw/zinc/35/30/47/463353047.db2.gz UDZSNWXWGCKRCO-GOSISDBHSA-N 0 0 345.468 2.288 40 0 EEABRN Cc1cc(NC(=O)CCn2ccnc2[C@H](O)c2ccccc2)no1 ZINC000097375809 463356226 /nfs/dbraw/zinc/35/62/26/463356226.db2.gz DNBGHTCRGFHAHA-MRXNPFEDSA-N 0 0 326.356 2.290 40 0 EEABRN CCCCOC(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1 ZINC000031924284 463358753 /nfs/dbraw/zinc/35/87/53/463358753.db2.gz CVKSUODVWUCYDM-UHFFFAOYSA-N 0 0 334.416 2.304 40 0 EEABRN Nc1ccc(-c2nc3nc(N)nc(N)c3nc2-c2ccc(N)cc2)cc1 ZINC000037866054 463444816 /nfs/dbraw/zinc/44/48/16/463444816.db2.gz SAYBETLMUROXMO-UHFFFAOYSA-N 0 0 344.382 2.083 40 0 EEABRN CN1c2ccccc2S[C@@](C)(C(=O)NCc2cccnc2)C1=O ZINC000040774562 463464436 /nfs/dbraw/zinc/46/44/36/463464436.db2.gz TUMRALIJOKULKP-KRWDZBQOSA-N 0 0 327.409 2.225 40 0 EEABRN COc1ccc(C(=O)CCC(=O)N2CCc3n[nH]cc3C2)cc1F ZINC000081611232 463470353 /nfs/dbraw/zinc/47/03/53/463470353.db2.gz IKDUBRQNCFNSNK-UHFFFAOYSA-N 0 0 331.347 2.105 40 0 EEABRN Cc1nn(C)c2cnn(CCCNC(=O)[C@@H]3C[C@@H]3c3ccccc3)c12 ZINC000057279070 463474126 /nfs/dbraw/zinc/47/41/26/463474126.db2.gz UJHMQNSMTRXPRK-HZPDHXFCSA-N 0 0 337.427 2.388 40 0 EEABRN CCc1ccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000057318895 463477233 /nfs/dbraw/zinc/47/72/33/463477233.db2.gz JAPXEBHBLPKUQW-PBHICJAKSA-N 0 0 332.444 2.252 40 0 EEABRN C[C@]1(C(=O)NCCc2ccccn2)Oc2ccc(Cl)cc2NC1=O ZINC000041548402 463493851 /nfs/dbraw/zinc/49/38/51/463493851.db2.gz XDYFULBPMPRIRE-QGZVFWFLSA-N 0 0 345.786 2.184 40 0 EEABRN CCc1ncsc1NC(=O)C(=O)N(Cc1cccnc1)C1CC1 ZINC000162704784 463532523 /nfs/dbraw/zinc/53/25/23/463532523.db2.gz RXUAPBMPQNCKCI-UHFFFAOYSA-N 0 0 330.413 2.230 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 ZINC000083598635 463552736 /nfs/dbraw/zinc/55/27/36/463552736.db2.gz BIGRFXRSKBPEAF-SFHVURJKSA-N 0 0 346.452 2.058 40 0 EEABRN CC(C)C(=O)NC1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000058950068 463634989 /nfs/dbraw/zinc/63/49/89/463634989.db2.gz QMDZQWBJINVXQF-UHFFFAOYSA-N 0 0 346.427 2.225 40 0 EEABRN Cc1c(C(=O)Nc2cc(C)ccc2F)cnn1-c1ccc(=O)[nH]n1 ZINC000073751381 463652344 /nfs/dbraw/zinc/65/23/44/463652344.db2.gz MMLZAURCKVCYPA-UHFFFAOYSA-N 0 0 327.319 2.376 40 0 EEABRN C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C)Cc1cccc(F)c1 ZINC000073891334 463666545 /nfs/dbraw/zinc/66/65/45/463666545.db2.gz ZVILMXKGFLRFCN-OLZOCXBDSA-N 0 0 327.421 2.040 40 0 EEABRN CCOc1ccc(/C=C/C(=O)NC2CCN(C(C)=O)CC2)cc1OC ZINC000044870873 463697006 /nfs/dbraw/zinc/69/70/06/463697006.db2.gz NLAGQMDMSUCVES-SOFGYWHQSA-N 0 0 346.427 2.234 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)CCn3ncc4ccccc43)CCO2)n1 ZINC000257285217 463761442 /nfs/dbraw/zinc/76/14/42/463761442.db2.gz PGDLQKFWDMELSU-MRXNPFEDSA-N 0 0 339.399 2.058 40 0 EEABRN CO[C@@H]1CC[C@H]2N(C(=O)CN(C)Cc3cccnc3)CC[C@@]2(C)C1 ZINC000257283409 463761959 /nfs/dbraw/zinc/76/19/59/463761959.db2.gz OYEKXAXXDKSHCU-LMMKCTJWSA-N 0 0 331.460 2.320 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC(N(C)c4cc(C)ncn4)C3)C2)no1 ZINC000257298103 463767719 /nfs/dbraw/zinc/76/77/19/463767719.db2.gz RKDVJBSXWRZIFT-UHFFFAOYSA-N 0 0 341.415 2.213 40 0 EEABRN COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cnccn2)c1 ZINC000257305721 463770372 /nfs/dbraw/zinc/77/03/72/463770372.db2.gz SRENMCOGYLATMZ-INIZCTEOSA-N 0 0 335.367 2.079 40 0 EEABRN Cc1ccc(Nc2nccc(C3CCN(S(C)(=O)=O)CC3)n2)nc1 ZINC000257303467 463770384 /nfs/dbraw/zinc/77/03/84/463770384.db2.gz SHIXEQMDEKVDPZ-UHFFFAOYSA-N 0 0 347.444 2.063 40 0 EEABRN CCCn1nccc1-c1cc(C)nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257306803 463772119 /nfs/dbraw/zinc/77/21/19/463772119.db2.gz SVYRQJGBISKTAH-OAHLLOKOSA-N 0 0 349.460 2.155 40 0 EEABRN CO[C@H]1CCCOC12CCN(C(=O)CC1(O)CCCCC1)CC2 ZINC000257318008 463775031 /nfs/dbraw/zinc/77/50/31/463775031.db2.gz VMCHEURXBNPCGZ-HNNXBMFYSA-N 0 0 325.449 2.258 40 0 EEABRN CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257316375 463775406 /nfs/dbraw/zinc/77/54/06/463775406.db2.gz VFIHRUXMLUWRLY-LBPRGKRZSA-N 0 0 328.368 2.213 40 0 EEABRN Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000257331360 463781165 /nfs/dbraw/zinc/78/11/65/463781165.db2.gz XSNAXYHFHNGZIJ-LLVKDONJSA-N 0 0 339.367 2.241 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@H]2C)n1 ZINC000260735475 463792045 /nfs/dbraw/zinc/79/20/45/463792045.db2.gz IZIGCZRHQCMQPB-GFCCVEGCSA-N 0 0 334.493 2.372 40 0 EEABRN C[C@@H]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@H]1C ZINC000178715016 463948705 /nfs/dbraw/zinc/94/87/05/463948705.db2.gz CMXPRWDHORBHNW-ZJUUUORDSA-N 0 0 331.342 2.347 40 0 EEABRN COc1cc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)ccc1F ZINC000283686003 463972786 /nfs/dbraw/zinc/97/27/86/463972786.db2.gz UXDNZPYOKPIUDH-QWHCGFSZSA-N 0 0 339.411 2.089 40 0 EEABRN CN(C)c1ncc(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)n1C ZINC000269518941 464007119 /nfs/dbraw/zinc/00/71/19/464007119.db2.gz YAPCTNFQONPAGP-GVDBMIGSSA-N 0 0 339.443 2.014 40 0 EEABRN C[C@H](NC(=O)N(C)CC1(O)CCOCC1)c1cccc(F)c1F ZINC000186500609 464012616 /nfs/dbraw/zinc/01/26/16/464012616.db2.gz SKKYGZSDSUHKLJ-NSHDSACASA-N 0 0 328.359 2.209 40 0 EEABRN Cc1cnc(C)c(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000195563803 464077797 /nfs/dbraw/zinc/07/77/97/464077797.db2.gz RFWSLELHVKXOST-UHFFFAOYSA-N 0 0 338.337 2.229 40 0 EEABRN COc1ccc([C@H]2CCCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc1 ZINC000208002701 464099978 /nfs/dbraw/zinc/09/99/78/464099978.db2.gz HREBRSNDAWYKKX-AWEZNQCLSA-N 0 0 327.384 2.188 40 0 EEABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000222821376 464132830 /nfs/dbraw/zinc/13/28/30/464132830.db2.gz INCIKDNAOCYANZ-LBPRGKRZSA-N 0 0 326.824 2.230 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccn1 ZINC000222900191 464134511 /nfs/dbraw/zinc/13/45/11/464134511.db2.gz TUVYNPFGBPXVGT-CYBMUJFWSA-N 0 0 329.375 2.274 40 0 EEABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222977640 464136166 /nfs/dbraw/zinc/13/61/66/464136166.db2.gz LWKKIGKORCXKFD-RHSMWYFYSA-N 0 0 348.443 2.118 40 0 EEABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223565244 464143421 /nfs/dbraw/zinc/14/34/21/464143421.db2.gz ZDWVBTMVGBWFMT-HZPDHXFCSA-N 0 0 330.457 2.429 40 0 EEABRN O=C(NCc1nccc(N2CCCCC2)n1)c1ccc2c(c1)OCO2 ZINC000224160451 464147787 /nfs/dbraw/zinc/14/77/87/464147787.db2.gz QRDCKAPMGJGRIT-UHFFFAOYSA-N 0 0 340.383 2.126 40 0 EEABRN COc1ccc(NC(=O)NCc2nccc(N3CCCC3)n2)cc1 ZINC000224152623 464147862 /nfs/dbraw/zinc/14/78/62/464147862.db2.gz PCZXFKGZYLSKLG-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc2ccccc2c1 ZINC000224216819 464149639 /nfs/dbraw/zinc/14/96/39/464149639.db2.gz SQWVFJMXEPILCO-UHFFFAOYSA-N 0 0 348.406 2.396 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1 ZINC000225422077 464158534 /nfs/dbraw/zinc/15/85/34/464158534.db2.gz HSCUZMIIQOBRKF-GFCCVEGCSA-N 0 0 344.864 2.191 40 0 EEABRN COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)n1 ZINC000225480127 464163692 /nfs/dbraw/zinc/16/36/92/464163692.db2.gz QVGZQYWEHIFVLS-ZFWWWQNUSA-N 0 0 325.368 2.064 40 0 biogenic,in-vitro EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1[S@@](=O)CC ZINC000180581673 464341318 /nfs/dbraw/zinc/34/13/18/464341318.db2.gz FDHCZAXJLBKULV-OZAJXLCCSA-N 0 0 346.456 2.233 40 0 EEABRN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCSCC[C@H]1C)CC2 ZINC000189145261 464444968 /nfs/dbraw/zinc/44/49/68/464444968.db2.gz AYWPHWBCLWRYQT-OLZOCXBDSA-N 0 0 337.493 2.253 40 0 EEABRN NS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccccc2)ccn1 ZINC000241634588 464455016 /nfs/dbraw/zinc/45/50/16/464455016.db2.gz PNQWGCFMVZSYLG-HNNXBMFYSA-N 0 0 345.424 2.096 40 0 EEABRN Cc1noc(C)c1CC(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000244970278 464466565 /nfs/dbraw/zinc/46/65/65/464466565.db2.gz HQYYTFBRFLUZCK-HDJSIYSDSA-N 0 0 330.388 2.130 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(CCOCC(F)F)C2=O)c(C)c1 ZINC000189321800 464476543 /nfs/dbraw/zinc/47/65/43/464476543.db2.gz REMVVKBVAHKRPO-INIZCTEOSA-N 0 0 326.343 2.352 40 0 EEABRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2snnc2C)c1 ZINC000190471888 464652328 /nfs/dbraw/zinc/65/23/28/464652328.db2.gz JHQNWQRASCNPEP-SNVBAGLBSA-N 0 0 332.429 2.305 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCc1ccco1)CN(Cc1ccco1)C2 ZINC000248010432 464722547 /nfs/dbraw/zinc/72/25/47/464722547.db2.gz DPZTYSGKYRZMGG-OAHLLOKOSA-N 0 0 340.383 2.022 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCc1ccco1)CN(Cc1ccco1)C2 ZINC000248010429 464722908 /nfs/dbraw/zinc/72/29/08/464722908.db2.gz DPZTYSGKYRZMGG-HNNXBMFYSA-N 0 0 340.383 2.022 40 0 EEABRN CCn1cc([C@H]2CN(Cc3ccc(C(=O)OC)s3)CCO2)cn1 ZINC000190828203 464728335 /nfs/dbraw/zinc/72/83/35/464728335.db2.gz ZRJJWPUSNJEKOI-CQSZACIVSA-N 0 0 335.429 2.325 40 0 EEABRN Cn1ccc(C(=O)N2CC3(C2)C[C@@H](OCC2CCCC2)CCO3)n1 ZINC000248097276 464729472 /nfs/dbraw/zinc/72/94/72/464729472.db2.gz DDQJTHBYBJJBOV-HNNXBMFYSA-N 0 0 333.432 2.001 40 0 EEABRN Cc1cc(C)c(N2CC[C@H](N3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852648 464731987 /nfs/dbraw/zinc/73/19/87/464731987.db2.gz PQVOYGFNPQTDPQ-INIZCTEOSA-N 0 0 330.428 2.166 40 0 EEABRN CC(C)(C)n1cc(CNc2cccnc2N2CCC(CO)CC2)nn1 ZINC000191476880 464817768 /nfs/dbraw/zinc/81/77/68/464817768.db2.gz SSXDUOSBTSOVHG-UHFFFAOYSA-N 0 0 344.463 2.249 40 0 EEABRN C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000249280949 464859292 /nfs/dbraw/zinc/85/92/92/464859292.db2.gz KUJZOLGCCWVGBO-KBPBESRZSA-N 0 0 334.468 2.217 40 0 EEABRN C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c2ccccc21 ZINC000252494510 464968566 /nfs/dbraw/zinc/96/85/66/464968566.db2.gz NXQOJECRJPEVBC-DVOMOZLQSA-N 0 0 336.457 2.454 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000252504731 464973469 /nfs/dbraw/zinc/97/34/69/464973469.db2.gz DUAYAAILRDAVAI-IHETXDGRSA-N 0 0 330.428 2.089 40 0 EEABRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2([NH3+])CO)cc1 ZINC000252515261 464978249 /nfs/dbraw/zinc/97/82/49/464978249.db2.gz IBHHJVMXTWSBIE-QYZOEREBSA-N 0 0 345.464 2.187 40 0 EEABRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCCCO2)cc1 ZINC000253393255 464999233 /nfs/dbraw/zinc/99/92/33/464999233.db2.gz XPYYPHDURZRBGD-UHFFFAOYSA-N 0 0 339.417 2.029 40 0 EEABRN C[C@H](NC(=O)C1CCN(CC(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000253413436 465003541 /nfs/dbraw/zinc/00/35/41/465003541.db2.gz ZNPPFZKGHCSLDS-ZBEGNZNMSA-N 0 0 344.377 2.341 40 0 EEABRN CCn1cnc2c1ncnc2N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000253415582 465004875 /nfs/dbraw/zinc/00/48/75/465004875.db2.gz ZUQRBQPYTOMNLZ-BXUZGUMPSA-N 0 0 345.353 2.437 40 0 EEABRN COC(=O)[C@@H](N[C@H]1CCCN(c2cc(C)nn2C)C1)c1ccsc1 ZINC000253425371 465010802 /nfs/dbraw/zinc/01/08/02/465010802.db2.gz IJQSNJSFBAPCOM-HOCLYGCPSA-N 0 0 348.472 2.263 40 0 EEABRN O=C(NC[C@@H]1CCCN1c1cccnn1)c1ccc2ccccc2n1 ZINC000253426814 465011605 /nfs/dbraw/zinc/01/16/05/465011605.db2.gz RMBUJXKUEAZBJF-HNNXBMFYSA-N 0 0 333.395 2.424 40 0 EEABRN O=C(NCCOc1ncccc1C(F)(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000253428745 465012136 /nfs/dbraw/zinc/01/21/36/465012136.db2.gz RDKNKUSDNMCPBW-PHIMTYICSA-N 0 0 345.321 2.052 40 0 EEABRN CC(C)OCc1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000253430618 465013682 /nfs/dbraw/zinc/01/36/82/465013682.db2.gz RJMLMBSHRBYYTN-QGZVFWFLSA-N 0 0 333.432 2.160 40 0 EEABRN Cn1nnnc1CN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000253432401 465014420 /nfs/dbraw/zinc/01/44/20/465014420.db2.gz KEVSGDTYUXAQPI-GFCCVEGCSA-N 0 0 340.200 2.449 40 0 EEABRN Cc1ccc(CN2CC3(C2)C[C@@H](Oc2nccc(C)n2)CCO3)o1 ZINC000253478516 465016365 /nfs/dbraw/zinc/01/63/65/465016365.db2.gz LMLSZJXHLQNXPU-HNNXBMFYSA-N 0 0 329.400 2.499 40 0 EEABRN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000331212986 465981723 /nfs/dbraw/zinc/98/17/23/465981723.db2.gz KTWSSSWCVHNBJD-ZDUSSCGKSA-N 0 0 346.399 2.167 40 0 EEABRN Cc1cc(N2CCC(NC(=O)N(C)Cc3ccoc3)CC2)nc(C)n1 ZINC000331488852 466107198 /nfs/dbraw/zinc/10/71/98/466107198.db2.gz RGUQFCJCDLVLQL-UHFFFAOYSA-N 0 0 343.431 2.497 40 0 EEABRN CC(C)n1cc(CN2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cn1 ZINC000306130289 466488957 /nfs/dbraw/zinc/48/89/57/466488957.db2.gz JBKMDCKEKLJRLW-MRXNPFEDSA-N 0 0 343.431 2.066 40 0 EEABRN CN(C)c1cc2c(cc1NC(=O)Cc1ccccc1)n(C)c(=O)n2C ZINC000408530100 466680517 /nfs/dbraw/zinc/68/05/17/466680517.db2.gz IRAWJFKWYKRHSU-UHFFFAOYSA-N 0 0 338.411 2.124 40 0 EEABRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Cn1nnc2ccccc21 ZINC000390833391 467413901 /nfs/dbraw/zinc/41/39/01/467413901.db2.gz GVKBEIONQIEMHY-KPZWWZAWSA-N 0 0 342.374 2.463 40 0 EEABRN COc1ccc([C@@H](NC(=O)Nc2cc[nH]n2)C(F)(F)F)cc1F ZINC000390835722 467415102 /nfs/dbraw/zinc/41/51/02/467415102.db2.gz WAFSAXMQJZESPU-LLVKDONJSA-N 0 0 332.257 2.983 40 0 EEABRN O=C(C1CC(F)C1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 ZINC000575404891 468141691 /nfs/dbraw/zinc/14/16/91/468141691.db2.gz FOFBWAGKFBPKPF-XUJLQICISA-N 0 0 329.375 2.421 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)c1 ZINC000575606723 468146873 /nfs/dbraw/zinc/14/68/73/468146873.db2.gz RQLGWQIPCIJYOF-OAHLLOKOSA-N 0 0 346.818 2.490 40 0 EEABRN Cc1ccoc1C(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@@H]1C ZINC000585096573 468964076 /nfs/dbraw/zinc/96/40/76/468964076.db2.gz UBVAARBLXMDNLB-LBPRGKRZSA-N 0 0 330.388 2.140 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C ZINC000585096353 468964512 /nfs/dbraw/zinc/96/45/12/468964512.db2.gz JULPGCGWATWZNQ-CQSZACIVSA-N 0 0 346.475 2.291 40 0 EEABRN CCCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096133 468964788 /nfs/dbraw/zinc/96/47/88/468964788.db2.gz TWKHUUVYWWQINB-OAHLLOKOSA-N 0 0 346.456 2.335 40 0 EEABRN Cc1ccoc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@@H]1C ZINC000585097224 468965072 /nfs/dbraw/zinc/96/50/72/468965072.db2.gz GPOANCCTBKLMFE-ZDUSSCGKSA-N 0 0 344.415 2.193 40 0 EEABRN C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)C1CCC1 ZINC000585097269 468965258 /nfs/dbraw/zinc/96/52/58/468965258.db2.gz HGAGIKFLFFBSMS-ZDUSSCGKSA-N 0 0 344.459 2.188 40 0 EEABRN CCCC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C ZINC000585097922 468965869 /nfs/dbraw/zinc/96/58/69/468965869.db2.gz PHEXWVLYIGUWTG-CYBMUJFWSA-N 0 0 332.448 2.188 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099172 468967636 /nfs/dbraw/zinc/96/76/36/468967636.db2.gz RETCEAPNCGOFOK-MRXNPFEDSA-N 0 0 342.443 2.333 40 0 EEABRN COC[C@@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(C)cc1)C2 ZINC000585112195 468974878 /nfs/dbraw/zinc/97/48/78/468974878.db2.gz MPPYIBPECRHCEN-CQSZACIVSA-N 0 0 343.427 2.306 40 0 EEABRN Cn1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)n1 ZINC000585140605 468988467 /nfs/dbraw/zinc/98/84/67/468988467.db2.gz HRLYRGLOMDUUFE-ZDUSSCGKSA-N 0 0 336.436 2.928 40 0 EEABRN CC(=O)N1CC(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000585140442 468989299 /nfs/dbraw/zinc/98/92/99/468989299.db2.gz DTBOYJWNWLOXNF-UHFFFAOYSA-N 0 0 330.388 2.478 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585276382 469001202 /nfs/dbraw/zinc/00/12/02/469001202.db2.gz JDWSQZXUUPSEIN-GOSISDBHSA-N 0 0 348.374 2.361 40 0 EEABRN CO[C@@]1(CCC(=O)NCCc2ccccc2C)CCCN(C(C)=O)C1 ZINC000585281037 469008390 /nfs/dbraw/zinc/00/83/90/469008390.db2.gz RXIYSQKLQADDRR-HXUWFJFHSA-N 0 0 346.471 2.461 40 0 EEABRN O=C(Cc1ccncc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585286348 469009943 /nfs/dbraw/zinc/00/99/43/469009943.db2.gz WOJITMCSLPUCHZ-LSBZLQRGSA-N 0 0 344.386 2.098 40 0 EEABRN CN1c2ccccc2C[C@H](Nc2ncnc3c2ncn3C2CC2)C1=O ZINC000664195074 471671944 /nfs/dbraw/zinc/67/19/44/471671944.db2.gz JSUSEMUFBUAHOU-ZDUSSCGKSA-N 0 0 334.383 2.161 40 0 EEABRN CC1CCC(N2C[C@@H](C(=O)NCC(=O)c3cccs3)CC2=O)CC1 ZINC000126847697 490659417 /nfs/dbraw/zinc/65/94/17/490659417.db2.gz QVKORMGIZYKHTE-MOKVOYLWSA-N 0 0 348.468 2.474 40 0 EEABRN C[C@@H]1OCCN(C(=O)C(=O)Nc2cccc(Br)c2)[C@H]1C ZINC000190039042 534158216 /nfs/dbraw/zinc/15/82/16/534158216.db2.gz RHGXBQVSVQWAMA-UWVGGRQHSA-N 0 0 341.205 2.023 40 0 EEABRN CCCCCCNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000096413453 520079477 /nfs/dbraw/zinc/07/94/77/520079477.db2.gz LVRFOZHBQMWIQL-UHFFFAOYSA-N 0 0 329.404 2.415 40 0 EEABRN CCc1cccc(NC(=O)CNC(=O)Cc2ccc3c(c2)OCO3)c1 ZINC000131191217 521749853 /nfs/dbraw/zinc/74/98/53/521749853.db2.gz DUSMTQSHYDWAKX-UHFFFAOYSA-N 0 0 340.379 2.275 40 0 EEABRN Cc1cccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)c1C ZINC000022573252 524764318 /nfs/dbraw/zinc/76/43/18/524764318.db2.gz JVTUIUBKUWYEBL-GOSISDBHSA-N 0 0 341.455 2.260 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)cs1 ZINC000257270005 535365029 /nfs/dbraw/zinc/36/50/29/535365029.db2.gz MSJOMELJBBCZDQ-KRWDZBQOSA-N 0 0 346.456 2.033 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@H]2CCc2ccncc2)c1C ZINC000257217675 535828885 /nfs/dbraw/zinc/82/88/85/535828885.db2.gz DAAVURHJWYLBMT-INIZCTEOSA-N 0 0 348.472 2.392 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cncnc3C)CC2)cn1 ZINC000257261512 536421838 /nfs/dbraw/zinc/42/18/38/536421838.db2.gz LHROVCKWNDJXMZ-CQSZACIVSA-N 0 0 340.431 2.102 40 0 EEABRN COc1ccc(C(=O)N2CCOC[C@@H](Cc3ccccn3)C2)cc1 ZINC000257301505 536727177 /nfs/dbraw/zinc/72/71/77/536727177.db2.gz RYTOGYKQJMLTMT-HNNXBMFYSA-N 0 0 326.396 2.422 40 0 EEABRN COc1ccc(C(=O)NC[C@@H]2CCCN2c2cccnn2)c(F)c1 ZINC000253426237 536743540 /nfs/dbraw/zinc/74/35/40/536743540.db2.gz DLRBJWNQTORHFO-LBPRGKRZSA-N 0 0 330.363 2.023 40 0 EEABRN COc1ccccc1N1CCN([C@H](C)c2nnnn2C(C)(C)C)CC1 ZINC000035292083 537069844 /nfs/dbraw/zinc/06/98/44/537069844.db2.gz KKRZSOYQXMMXIH-CQSZACIVSA-N 0 0 344.463 2.320 40 0 EEABRN CN1C[C@H](CCNC(=O)Nc2cc(-c3ccccc3F)on2)CC1=O ZINC000931150733 1206611177 /nfs/dbraw/zinc/61/11/77/1206611177.db2.gz HMHOOIRQSPHOEU-LLVKDONJSA-N 0 0 346.362 2.471 40 0 EEABRN CCn1nccc1CNC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000028235041 1352373991 /nfs/dbraw/zinc/37/39/91/1352373991.db2.gz OUWQTQDGGKCSMV-JTQLQIEISA-N 0 0 329.326 2.304 40 0 EEABRN CCc1ccccc1NS(=O)(=O)CC1=NC(=O)n2cccc2C1=O ZINC000032611914 1352383051 /nfs/dbraw/zinc/38/30/51/1352383051.db2.gz ASXDSPSJXPPPSW-UHFFFAOYSA-N 0 0 345.380 2.098 40 0 EEABRN O=C(NCCNC(=O)c1ccc(Br)cc1)c1ccoc1 ZINC000049224800 213994955 /nfs/dbraw/zinc/99/49/55/213994955.db2.gz IHCRJDAVTJVXBD-UHFFFAOYSA-N 0 0 337.173 2.202 40 0 EEABRN CN(C)c1cccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@@]32C)c1 ZINC000005612246 282298482 /nfs/dbraw/zinc/29/84/82/282298482.db2.gz MFXZNEBLSYHVNK-JSGCOSHPSA-N 0 0 342.511 2.146 40 0 EEABRN CCOC(=O)CNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000004188377 210142622 /nfs/dbraw/zinc/14/26/22/210142622.db2.gz GXGAQVNLDJRBCO-UHFFFAOYSA-N 0 0 349.412 2.125 40 0 EEABRN CCCOc1ccc(-c2nnn(CC(=O)N3CCC[C@H](C)C3)n2)cc1 ZINC000004169430 210138639 /nfs/dbraw/zinc/13/86/39/210138639.db2.gz JTHZXXXYCMVQQJ-AWEZNQCLSA-N 0 0 343.431 2.387 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)Cc2noc(C(F)(F)F)n2)cc1 ZINC000223431652 539657989 /nfs/dbraw/zinc/65/79/89/539657989.db2.gz KOBWAGYJJORMDY-UHFFFAOYSA-N 0 0 335.307 2.218 40 0 EEABRN Cn1nncc1S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000330124499 539788078 /nfs/dbraw/zinc/78/80/78/539788078.db2.gz CKNGYYXWNJSDPT-CYBMUJFWSA-N 0 0 342.371 2.009 40 0 EEABRN COc1cc(C/N=c2\nc(N(C)C)ss2)cc(OC)c1OC ZINC000104305798 219373466 /nfs/dbraw/zinc/37/34/66/219373466.db2.gz PXBLWQBPIQDXFE-FYWRMAATSA-N 0 0 341.458 2.397 40 0 EEABRN CC1=C[C@]2(Nc3cc(-c4ccccc4)ccc3O2)C(C(N)=O)=C(N)O1 ZINC000040546362 213345709 /nfs/dbraw/zinc/34/57/09/213345709.db2.gz OFBMEQWICQBWSK-LJQANCHMSA-N 0 0 335.363 2.444 40 0 EEABRN Cc1c(OCCCO)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 ZINC000040435342 213304264 /nfs/dbraw/zinc/30/42/64/213304264.db2.gz OBQCUJTXRBUDMO-DEOSSOPVSA-N 0 0 345.424 2.335 40 0 EEABRN O=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)COc1ccccc1 ZINC000039985687 213248834 /nfs/dbraw/zinc/24/88/34/213248834.db2.gz GAVBTRFYLCWQLJ-HNNXBMFYSA-N 0 0 346.427 2.461 40 0 EEABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(C=O)CC1 ZINC000038756716 213224688 /nfs/dbraw/zinc/22/46/88/213224688.db2.gz WYGBLTURKXAXCN-KRWDZBQOSA-N 0 0 326.396 2.298 40 0 EEABRN O=C(CCn1cnc2ccccc2c1=O)Nc1onc2c1CSC2 ZINC000038679845 213220323 /nfs/dbraw/zinc/22/03/23/213220323.db2.gz WAPLJLUALKXKEO-UHFFFAOYSA-N 0 0 342.380 2.160 40 0 EEABRN COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1 ZINC000035288689 213018279 /nfs/dbraw/zinc/01/82/79/213018279.db2.gz JLSVSCMWWVARMW-UHFFFAOYSA-N 0 0 330.369 2.113 40 0 EEABRN O=C(Cn1ncc2ccccc21)NCC1CCC2(CC1)OCCO2 ZINC000096446868 237055689 /nfs/dbraw/zinc/05/56/89/237055689.db2.gz WQYOVXRZDIRNLY-UHFFFAOYSA-N 0 0 329.400 2.086 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000189744320 237208570 /nfs/dbraw/zinc/20/85/70/237208570.db2.gz RABXVQHLJZGJOB-NSHDSACASA-N 0 0 340.353 2.112 40 0 EEABRN Cc1ccnc(-n2nccc2NC(=O)N2CCOC3(CCC3)C2)c1 ZINC000189845992 237313147 /nfs/dbraw/zinc/31/31/47/237313147.db2.gz COCDAQABGYOCHD-UHFFFAOYSA-N 0 0 327.388 2.363 40 0 EEABRN Cc1snnc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072239908 216078454 /nfs/dbraw/zinc/07/84/54/216078454.db2.gz CYYGDOLPVVSHSP-UHFFFAOYSA-N 0 0 336.848 2.458 40 0 EEABRN Cc1ccc(C2(C(=O)NCCCn3cccn3)CCOCC2)cc1 ZINC000072264682 216086293 /nfs/dbraw/zinc/08/62/93/216086293.db2.gz VRUKHJFSQRZIOO-UHFFFAOYSA-N 0 0 327.428 2.446 40 0 EEABRN CC(C)C(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 ZINC000072361940 216169221 /nfs/dbraw/zinc/16/92/21/216169221.db2.gz DADBGOPGVVJYBM-ZDUSSCGKSA-N 0 0 326.404 2.372 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072368147 216174814 /nfs/dbraw/zinc/17/48/14/216174814.db2.gz OWSZBNUHOLQJRZ-SNVBAGLBSA-N 0 0 342.321 2.101 40 0 EEABRN COc1ccc(-c2cccc([C@H]3CCCN(CC(N)=O)C3)n2)cc1 ZINC000072367816 216174855 /nfs/dbraw/zinc/17/48/55/216174855.db2.gz UHKQJHACMVXNJN-HNNXBMFYSA-N 0 0 325.412 2.422 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@@H]2CCN(c3ncccn3)C2)n1 ZINC000072382554 216182989 /nfs/dbraw/zinc/18/29/89/216182989.db2.gz SAMXMQIGDJZLQB-CYBMUJFWSA-N 0 0 334.387 2.103 40 0 EEABRN c1ccc(N2CCC[C@@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1 ZINC000072387270 216186681 /nfs/dbraw/zinc/18/66/81/216186681.db2.gz UAUJBPLFEWEYQD-INIZCTEOSA-N 0 0 339.443 2.167 40 0 EEABRN Cn1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2nccnc21 ZINC000072393910 216192444 /nfs/dbraw/zinc/19/24/44/216192444.db2.gz YYJFGTPZCJYWOQ-ZIAGYGMSSA-N 0 0 325.416 2.426 40 0 EEABRN O=C(C[C@H]1CCCCO1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393791 216193345 /nfs/dbraw/zinc/19/33/45/216193345.db2.gz GVLMKVOZKFQHGA-CYBMUJFWSA-N 0 0 329.404 2.018 40 0 EEABRN CC(C)c1nccn1CCC(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000073263575 216370590 /nfs/dbraw/zinc/37/05/90/216370590.db2.gz FDLAZTZSBNUAQS-UHFFFAOYSA-N 0 0 328.372 2.480 40 0 EEABRN O=C(CN1CCNC(=O)CC1)N1c2ccccc2CCc2ccccc21 ZINC000193338336 240118475 /nfs/dbraw/zinc/11/84/75/240118475.db2.gz DMMLSZDMIXHRBW-UHFFFAOYSA-N 0 0 349.434 2.272 40 0 EEABRN COc1ccc(C)cc1NC(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000075162014 216591237 /nfs/dbraw/zinc/59/12/37/216591237.db2.gz CPSIYLZRGVVFBV-UHFFFAOYSA-N 0 0 343.387 2.274 40 0 EEABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 ZINC000223711684 241681912 /nfs/dbraw/zinc/68/19/12/241681912.db2.gz VZBXFFXCUUVZAW-HZPDHXFCSA-N 0 0 344.440 2.335 40 0 EEABRN Cc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1C ZINC000225193352 241808554 /nfs/dbraw/zinc/80/85/54/241808554.db2.gz GSEJZXNWOUAORU-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)c1cnccn1)C2 ZINC000225489324 241894688 /nfs/dbraw/zinc/89/46/88/241894688.db2.gz AJAUVHBBRWOCAT-AWEZNQCLSA-N 0 0 338.367 2.156 40 0 biogenic,in-vitro EEABRN COC(=O)c1cnccc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000225803348 242042635 /nfs/dbraw/zinc/04/26/35/242042635.db2.gz XLZDGHQVCDFPPJ-OAHLLOKOSA-N 0 0 342.399 2.196 40 0 EEABRN CCn1ncnc1CN1CCOc2ccc(Br)cc2C1 ZINC000225787457 242035449 /nfs/dbraw/zinc/03/54/49/242035449.db2.gz DVLZUUYYIFVOQC-UHFFFAOYSA-N 0 0 337.221 2.455 40 0 EEABRN C[C@@]1(C(=O)NCCCn2cccn2)CC(c2ccc(F)cc2)=NO1 ZINC000226749053 242110664 /nfs/dbraw/zinc/11/06/64/242110664.db2.gz JNLIMCYDFYDNHG-KRWDZBQOSA-N 0 0 330.363 2.112 40 0 EEABRN CCN(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000226053978 242087024 /nfs/dbraw/zinc/08/70/24/242087024.db2.gz RFKZNYDGMMXYDU-UHFFFAOYSA-N 0 0 332.425 2.360 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000240668594 242975568 /nfs/dbraw/zinc/97/55/68/242975568.db2.gz HNQVXNIJOWFRNG-SMDDNHRTSA-N 0 0 337.782 2.484 40 0 EEABRN O=C(CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NC[C@H]1CCCO1 ZINC000245287326 243102803 /nfs/dbraw/zinc/10/28/03/243102803.db2.gz BXQDEDKVOOXXME-NVXWUHKLSA-N 0 0 348.418 2.016 40 0 EEABRN O=C(N[C@@H]1CCCc2ccccc21)c1cc(N2CCOCC2)ncn1 ZINC000240067899 284042009 /nfs/dbraw/zinc/04/20/09/284042009.db2.gz SDMXXBTURDQJTI-MRXNPFEDSA-N 0 0 338.411 2.121 40 0 EEABRN O=C(c1ncccn1)N1CC2(C1)C[C@@H](OCC1CCCC1)CCO2 ZINC000247841902 243461415 /nfs/dbraw/zinc/46/14/15/243461415.db2.gz FSBFFDOGOFMNTB-HNNXBMFYSA-N 0 0 331.416 2.057 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNC(=O)NCC[S@](=O)C(C)(C)C)c1 ZINC000252492086 243801824 /nfs/dbraw/zinc/80/18/24/243801824.db2.gz MBXLVFMXFJBYRY-CMJOXMDJSA-N 0 0 340.489 2.183 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccccc3C)CC2)n1 ZINC000253534963 244005684 /nfs/dbraw/zinc/00/56/84/244005684.db2.gz LYOLQPHEBWVNFY-UHFFFAOYSA-N 0 0 326.400 2.198 40 0 EEABRN Cn1ccc2ccnc(CC3CN(S(=O)(=O)c4ccccc4)C3)c21 ZINC000257204974 244131609 /nfs/dbraw/zinc/13/16/09/244131609.db2.gz AXBXMAJFCVTPGR-UHFFFAOYSA-N 0 0 341.436 2.437 40 0 EEABRN Cc1cc(N)cc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 ZINC000257220419 244180533 /nfs/dbraw/zinc/18/05/33/244180533.db2.gz DKUJYSJKEXHOBE-GOSISDBHSA-N 0 0 337.427 2.432 40 0 EEABRN Cc1cc(C[C@H]2COCCN(C(=O)Cc3ccccc3F)C2)ncn1 ZINC000257247525 244260743 /nfs/dbraw/zinc/26/07/43/244260743.db2.gz IZIWXSLLXDSIQQ-OAHLLOKOSA-N 0 0 343.402 2.184 40 0 EEABRN CS(=O)(=O)N(Cc1ccon1)c1cccc(Br)c1 ZINC000077239493 216857247 /nfs/dbraw/zinc/85/72/47/216857247.db2.gz MPJRDXNYNKNYCO-UHFFFAOYSA-N 0 0 331.191 2.403 40 0 EEABRN O=C(CCc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257254624 244279581 /nfs/dbraw/zinc/27/95/81/244279581.db2.gz KEABQKVURPWARY-KRWDZBQOSA-N 0 0 343.402 2.409 40 0 EEABRN Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257255640 244280680 /nfs/dbraw/zinc/28/06/80/244280680.db2.gz KIHWMLQJPONEMB-GJZGRUSLSA-N 0 0 334.347 2.167 40 0 EEABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](Cc3cccc(C)n3)C2)CC1 ZINC000257271955 244379727 /nfs/dbraw/zinc/37/97/27/244379727.db2.gz NALSISPCSOQYMW-QGZVFWFLSA-N 0 0 343.471 2.430 40 0 EEABRN CC(C)n1nccc1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257262180 244349878 /nfs/dbraw/zinc/34/98/78/244349878.db2.gz LKLHHMPXIFMWGI-ZDUSSCGKSA-N 0 0 349.460 2.060 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2c(C)onc2C(C)C)CCO1 ZINC000257287373 244424560 /nfs/dbraw/zinc/42/45/60/244424560.db2.gz PPQHKWMKIABMLO-GFCCVEGCSA-N 0 0 345.403 2.152 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2o1 ZINC000019936514 212086385 /nfs/dbraw/zinc/08/63/85/212086385.db2.gz CHPUHMFYDNSOHC-UHFFFAOYSA-N 0 0 326.280 2.200 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)Cc3cccc(OC)c3)CCO2)n1 ZINC000257300309 244462165 /nfs/dbraw/zinc/46/21/65/244462165.db2.gz RTUMZTLXLDKICE-KRWDZBQOSA-N 0 0 341.411 2.275 40 0 EEABRN Nc1nc2nc(C3CCN(C(=O)c4cncnc4)CC3)ccc2s1 ZINC000257340874 244570554 /nfs/dbraw/zinc/57/05/54/244570554.db2.gz ZHWXQKZVJMSWMV-UHFFFAOYSA-N 0 0 340.412 2.083 40 0 EEABRN CCCNC(=O)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3n2C)C1 ZINC000019747864 212061638 /nfs/dbraw/zinc/06/16/38/212061638.db2.gz TXMHZFAXOSRGTR-CQSZACIVSA-N 0 0 327.428 2.475 40 0 EEABRN C[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1ccccn1 ZINC000019658277 212054558 /nfs/dbraw/zinc/05/45/58/212054558.db2.gz TVIIKKOJMUYFOO-OAHLLOKOSA-N 0 0 325.412 2.405 40 0 EEABRN COc1cccc(CC(=O)NCc2nnc(-c3scnc3C)o2)c1 ZINC000019563249 212043552 /nfs/dbraw/zinc/04/35/52/212043552.db2.gz IEXHHXPXHHFONC-UHFFFAOYSA-N 0 0 344.396 2.369 40 0 EEABRN COc1ccc(OC)c([C@@H](O)CN2CCN(c3nccs3)CC2)c1 ZINC000019551182 212041065 /nfs/dbraw/zinc/04/10/65/212041065.db2.gz PKCSVRAAGLHPFN-HNNXBMFYSA-N 0 0 349.456 2.016 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000019555473 212040344 /nfs/dbraw/zinc/04/03/44/212040344.db2.gz OYKIVPFISAVKPO-MRXNPFEDSA-N 0 0 341.411 2.302 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000019496227 212032602 /nfs/dbraw/zinc/03/26/02/212032602.db2.gz SZEMGIWSOSRGQL-DGCLKSJQSA-N 0 0 346.456 2.249 40 0 EEABRN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCc2ccccn2)n1 ZINC000019457530 212029492 /nfs/dbraw/zinc/02/94/92/212029492.db2.gz LFQQNBRASRCADP-LLVKDONJSA-N 0 0 344.806 2.431 40 0 EEABRN C[C@H](NC(=O)CC[C@]1(C)NC(=O)NC1=O)c1ccc2c(c1)CCCC2 ZINC000019458792 212029598 /nfs/dbraw/zinc/02/95/98/212029598.db2.gz YROSWNZMWFDGTL-BUXKBTBVSA-N 0 0 343.427 2.121 40 0 EEABRN O=C(CN1CCCC1=O)N[C@@H](Cc1cccs1)c1nccs1 ZINC000019343297 212017752 /nfs/dbraw/zinc/01/77/52/212017752.db2.gz PZCYEBCCKQSPSU-LBPRGKRZSA-N 0 0 335.454 2.227 40 0 EEABRN CS(=O)(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000078190491 217030546 /nfs/dbraw/zinc/03/05/46/217030546.db2.gz UICWIOVYOSDTJP-NSHDSACASA-N 0 0 343.754 2.494 40 0 EEABRN CCCNC(=O)Nc1cccc(OC(=O)C2CCN(C(C)=O)CC2)c1 ZINC000078446279 217053674 /nfs/dbraw/zinc/05/36/74/217053674.db2.gz JNHHAWSFQAVJRD-UHFFFAOYSA-N 0 0 347.415 2.382 40 0 EEABRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000078451948 217054527 /nfs/dbraw/zinc/05/45/27/217054527.db2.gz QOSVIJQRWCTEIR-UGFHNGPFSA-N 0 0 348.424 2.250 40 0 EEABRN C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000078554007 217075251 /nfs/dbraw/zinc/07/52/51/217075251.db2.gz CBQTUIZSOIHRHJ-ZAMGYDSWSA-N 0 0 333.457 2.424 40 0 EEABRN CCCO[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000078671088 217099677 /nfs/dbraw/zinc/09/96/77/217099677.db2.gz TWYCCNPDYYUSOE-CQSZACIVSA-N 0 0 331.478 2.152 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000078985979 217164769 /nfs/dbraw/zinc/16/47/69/217164769.db2.gz RIJVVGDEWIGBJS-ONGXEEELSA-N 0 0 335.385 2.349 40 0 EEABRN CCN(C(=O)NCCc1ccc(C)cc1C)[C@H](C)CS(C)(=O)=O ZINC000079036307 217178952 /nfs/dbraw/zinc/17/89/52/217178952.db2.gz WPCJKWXWXSWUNM-OAHLLOKOSA-N 0 0 340.489 2.311 40 0 EEABRN Cn1nnnc1S[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000079091502 217190487 /nfs/dbraw/zinc/19/04/87/217190487.db2.gz ACJHPNOOLCGJAD-JTQLQIEISA-N 0 0 343.334 2.127 40 0 EEABRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000079603833 217242993 /nfs/dbraw/zinc/24/29/93/217242993.db2.gz ZIXWXMXJMDGFKR-NSHDSACASA-N 0 0 344.806 2.244 40 0 EEABRN CC(C)N1CC[C@@H](NC(=O)NCCc2nc3ccccc3s2)C1=O ZINC000080670451 217325006 /nfs/dbraw/zinc/32/50/06/217325006.db2.gz SEYCGGWHEPOHDH-CYBMUJFWSA-N 0 0 346.456 2.147 40 0 EEABRN CCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000080751578 217330282 /nfs/dbraw/zinc/33/02/82/217330282.db2.gz BTQQTSUVSGLPCD-UHFFFAOYSA-N 0 0 325.409 2.469 40 0 EEABRN CCc1noc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926814 217341331 /nfs/dbraw/zinc/34/13/31/217341331.db2.gz OPPCIPOSFSHJLD-CYBMUJFWSA-N 0 0 329.404 2.186 40 0 EEABRN CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccc(Br)o2)C1 ZINC000083961396 217566366 /nfs/dbraw/zinc/56/63/66/217566366.db2.gz TXNIQVMUXHKNSH-JGVFFNPUSA-N 0 0 337.191 2.165 40 0 EEABRN O=C(NCCOC[C@@H]1CCCO1)N1CCc2c(F)ccc(F)c2C1 ZINC000084159193 217579531 /nfs/dbraw/zinc/57/95/31/217579531.db2.gz DYOTXCWEITVHPU-LBPRGKRZSA-N 0 0 340.370 2.228 40 0 EEABRN NC(=O)C1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000012338305 211352829 /nfs/dbraw/zinc/35/28/29/211352829.db2.gz IMTGXRJLUXLUAP-UHFFFAOYSA-N 0 0 333.775 2.333 40 0 EEABRN O=C(Cc1ccccn1)N1CCC[C@@H](c2noc(-c3ccccn3)n2)C1 ZINC000012327529 211349508 /nfs/dbraw/zinc/34/95/08/211349508.db2.gz AZAKJUDYGWZBPM-CQSZACIVSA-N 0 0 349.394 2.475 40 0 EEABRN O=C(NCc1noc(-c2ccccc2)n1)[C@H]1OCOc2ccccc21 ZINC000012203085 211320432 /nfs/dbraw/zinc/32/04/32/211320432.db2.gz SRIARQHTEONQLZ-INIZCTEOSA-N 0 0 337.335 2.461 40 0 EEABRN Cc1cnc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012121764 211300263 /nfs/dbraw/zinc/30/02/63/211300263.db2.gz HGOBNPRWQLQNPK-UHFFFAOYSA-N 0 0 339.395 2.369 40 0 EEABRN CCOCCCNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 ZINC000012116317 211296416 /nfs/dbraw/zinc/29/64/16/211296416.db2.gz BSXDBFFCMKOLJL-UHFFFAOYSA-N 0 0 344.459 2.333 40 0 EEABRN CCc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3oc(C)cc3n21 ZINC000012115548 211293876 /nfs/dbraw/zinc/29/38/76/211293876.db2.gz XBNWVJUSQQHWDE-UHFFFAOYSA-N 0 0 330.388 2.028 40 0 EEABRN CO[C@@H](C(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000012114746 211293686 /nfs/dbraw/zinc/29/36/86/211293686.db2.gz MJNHEYYQWGVSPK-SWLSCSKDSA-N 0 0 337.383 2.432 40 0 EEABRN CN(C(=O)c1cccnc1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146126 211305732 /nfs/dbraw/zinc/30/57/32/211305732.db2.gz YJCGZMCJKIJIRD-UHFFFAOYSA-N 0 0 325.397 2.314 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000010492813 211177640 /nfs/dbraw/zinc/17/76/40/211177640.db2.gz MXDGTNHSGVRKFF-UHFFFAOYSA-N 0 0 326.324 2.125 40 0 EEABRN O=C1C[C@H](c2ccccc2)N(Cc2ncn(-c3ccccc3)n2)CCN1 ZINC000092795544 218168422 /nfs/dbraw/zinc/16/84/22/218168422.db2.gz IPMXJQAXEZDLJV-GOSISDBHSA-N 0 0 347.422 2.331 40 0 EEABRN O=C(C[C@@H]1CCOC1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000095407217 218343468 /nfs/dbraw/zinc/34/34/68/218343468.db2.gz ZSYVINSLYJPMON-HOTGVXAUSA-N 0 0 330.428 2.082 40 0 EEABRN Cc1nccn1-c1ccc(F)cc1CNC(=O)N(C)CC(C)(C)O ZINC000095411263 218347914 /nfs/dbraw/zinc/34/79/14/218347914.db2.gz FIZVJGYUFJACNA-UHFFFAOYSA-N 0 0 334.395 2.232 40 0 EEABRN Cc1ccc([C@H]2CCCN2C(=O)c2coc(S(N)(=O)=O)c2)s1 ZINC000095449699 218393865 /nfs/dbraw/zinc/39/38/65/218393865.db2.gz YDSPOMSMXPABPX-LLVKDONJSA-N 0 0 340.426 2.274 40 0 EEABRN Cc1ccnc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)n1 ZINC000095450849 218395507 /nfs/dbraw/zinc/39/55/07/218395507.db2.gz PVMJZVUVVHMUSW-MRXNPFEDSA-N 0 0 338.411 2.233 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040335 218523427 /nfs/dbraw/zinc/52/34/27/218523427.db2.gz OEQNHKAZYBVJAN-DLBZAZTESA-N 0 0 343.489 2.166 40 0 EEABRN Cc1oncc1C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC000096063604 218558455 /nfs/dbraw/zinc/55/84/55/218558455.db2.gz QQIVBUXGRVCUSD-UHFFFAOYSA-N 0 0 339.395 2.078 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cn1 ZINC000096067657 218565154 /nfs/dbraw/zinc/56/51/54/218565154.db2.gz JXDHFXXTLATBOR-QGZVFWFLSA-N 0 0 337.423 2.249 40 0 EEABRN CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3ccco3)ccc2NC1=O ZINC000096182225 218644312 /nfs/dbraw/zinc/64/43/12/218644312.db2.gz CGCTWWYXOQZAGT-KRWDZBQOSA-N 0 0 344.323 2.185 40 0 EEABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCOCC1 ZINC000096413469 218770651 /nfs/dbraw/zinc/77/06/51/218770651.db2.gz GMSJPOBFQIGUBB-UHFFFAOYSA-N 0 0 336.697 2.156 40 0 EEABRN Cc1cc(CNC(=O)c2cc(N3CCNC3=O)ccc2F)c(C)o1 ZINC000096414449 218772165 /nfs/dbraw/zinc/77/21/65/218772165.db2.gz CVPJVEIGQVVKQI-UHFFFAOYSA-N 0 0 331.347 2.495 40 0 EEABRN CC(C)NC(=O)CCNC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000096415945 218776645 /nfs/dbraw/zinc/77/66/45/218776645.db2.gz QZYQDULNXVRYNH-UHFFFAOYSA-N 0 0 326.828 2.442 40 0 EEABRN Brc1cnc(NC2CCN(c3cccnn3)CC2)nc1 ZINC000253418721 532976642 /nfs/dbraw/zinc/97/66/42/532976642.db2.gz XLCIVRYQSLQEFQ-UHFFFAOYSA-N 0 0 335.209 2.110 40 0 EEABRN O=C1C[C@]23C=CCN4CC[C@H]5c6cc7c(cc6N1[C@@]5(CC2)[C@H]43)OCO7 ZINC000003594643 296352045 /nfs/dbraw/zinc/35/20/45/296352045.db2.gz DTBOGXTYLFTPCH-LGWHJFRWSA-N 0 0 336.391 2.412 40 0 biogenic,in-vitro EEABRN CC[C@H](NC(=O)COCc1nc(C)no1)c1cc(F)ccc1F ZINC000096419003 218782000 /nfs/dbraw/zinc/78/20/00/218782000.db2.gz BWTUIOSQWZDWAY-ZDUSSCGKSA-N 0 0 325.315 2.440 40 0 EEABRN O=S(=O)(c1cccnc1)N1CC[C@H](COCc2ccccc2)C1 ZINC000096428609 218801418 /nfs/dbraw/zinc/80/14/18/218801418.db2.gz HBCNRPRSZZLCHU-INIZCTEOSA-N 0 0 332.425 2.309 40 0 EEABRN Cc1c(Br)cccc1C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000096431182 218805971 /nfs/dbraw/zinc/80/59/71/218805971.db2.gz FTGXIGQUDPWMNP-GFCCVEGCSA-N 0 0 325.206 2.060 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000096439828 218820025 /nfs/dbraw/zinc/82/00/25/218820025.db2.gz RRUUXKOFPJBHCX-NEPJUHHUSA-N 0 0 337.811 2.087 40 0 EEABRN C[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@@H]1CCCO1 ZINC000004967017 210341782 /nfs/dbraw/zinc/34/17/82/210341782.db2.gz XEKICIXWAPZEGD-QWRGUYRKSA-N 0 0 336.413 2.080 40 0 EEABRN O=C(Nc1cncnc1N1CCCC1)c1ccc(Br)cn1 ZINC000097376756 219019096 /nfs/dbraw/zinc/01/90/96/219019096.db2.gz LSNAWHCFJSTFIR-UHFFFAOYSA-N 0 0 348.204 2.487 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NC[C@@H]1CCCO1 ZINC000409209775 257874297 /nfs/dbraw/zinc/87/42/97/257874297.db2.gz HXUXCABXKGARMG-GFAPJHNFSA-N 0 0 346.408 2.018 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2)N1CCCC1 ZINC000306126788 257918774 /nfs/dbraw/zinc/91/87/74/257918774.db2.gz FFJLAVLYFSZBHI-OAHLLOKOSA-N 0 0 340.489 2.205 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3ccccc3c2)C1 ZINC000045416826 533389628 /nfs/dbraw/zinc/38/96/28/533389628.db2.gz VQUDCKREWRPQAZ-KRWDZBQOSA-N 0 0 346.452 2.128 40 0 EEABRN COC(C)(C)C(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(C)=O ZINC000257303122 292045670 /nfs/dbraw/zinc/04/56/70/292045670.db2.gz SFVUQNVKILTHDE-KZNAEPCWSA-N 0 0 344.455 2.274 40 0 EEABRN O=C([C@@H]1CCCO1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004111858 304333045 /nfs/dbraw/zinc/33/30/45/304333045.db2.gz YXPZYAMZYGMBTI-KGLIPLIRSA-N 0 0 341.816 2.163 40 0 EEABRN Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(Cl)c2)cc1 ZINC000022275870 292172413 /nfs/dbraw/zinc/17/24/13/292172413.db2.gz YKBHPLUVAFBGOW-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=N[C@H]2c1cccnc1 ZINC000101981746 274674950 /nfs/dbraw/zinc/67/49/50/274674950.db2.gz JGXOANBIZZJXEW-MRXNPFEDSA-N 0 0 332.367 2.387 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000090635864 277183655 /nfs/dbraw/zinc/18/36/55/277183655.db2.gz YFQLPDPRWARYJU-CQSZACIVSA-N 0 0 335.404 2.150 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000253395067 295346959 /nfs/dbraw/zinc/34/69/59/295346959.db2.gz IZJUGQSZFZKQRW-RYUDHWBXSA-N 0 0 330.812 2.408 40 0 EEABRN O=C(C[C@@H]1NC(=O)NC1=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000091069759 295540904 /nfs/dbraw/zinc/54/09/04/295540904.db2.gz NKVACOJXYOMJKI-ISEXYEMMSA-N 0 0 341.411 2.069 40 0 EEABRN Cc1cscc1CNC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000331988475 311933322 /nfs/dbraw/zinc/93/33/22/311933322.db2.gz WMTNCALMWSAZQC-UHFFFAOYSA-N 0 0 344.440 2.119 40 0 EEABRN Cc1[nH]nc(C(C)C)c1C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000332435050 312006847 /nfs/dbraw/zinc/00/68/47/312006847.db2.gz XZKBNIFHWQLYBY-UHFFFAOYSA-N 0 0 326.400 2.331 40 0 EEABRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ncc(OC)s2)C1 ZINC000333984574 312224159 /nfs/dbraw/zinc/22/41/59/312224159.db2.gz MCYYMWZKXXIFNQ-ULQSSITMSA-N 0 0 331.463 2.353 40 0 EEABRN O=C(C[C@@H]1COCCN1Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000097095907 323320389 /nfs/dbraw/zinc/32/03/89/323320389.db2.gz AIZOKNWDKJQPGH-OAHLLOKOSA-N 0 0 327.384 2.421 40 0 EEABRN C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000097377258 323322018 /nfs/dbraw/zinc/32/20/18/323322018.db2.gz RYNVRCVLFZHDNJ-GFCCVEGCSA-N 0 0 341.415 2.424 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000097379362 323323023 /nfs/dbraw/zinc/32/30/23/323323023.db2.gz HMQBWHYEEVBYOM-GOSISDBHSA-N 0 0 338.411 2.365 40 0 EEABRN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccccc1F ZINC000000358105 462556274 /nfs/dbraw/zinc/55/62/74/462556274.db2.gz CAOIUDYHRPKJJF-AWEZNQCLSA-N 0 0 336.388 2.441 40 0 EEABRN CCCn1nnc(NC(=S)NC(=O)c2ccc3ccccc3c2)n1 ZINC000000568951 462571501 /nfs/dbraw/zinc/57/15/01/462571501.db2.gz NUCZKHUGEUYFHW-UHFFFAOYSA-N 0 0 340.412 2.363 40 0 EEABRN O=S(=O)(N[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001083945 462575991 /nfs/dbraw/zinc/57/59/91/462575991.db2.gz XWQGLADYHNQVGZ-ZETCQYMHSA-N 0 0 339.027 2.307 40 0 EEABRN C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000001361817 462579828 /nfs/dbraw/zinc/57/98/28/462579828.db2.gz WTXBIYLIFDNKMJ-GFCCVEGCSA-N 0 0 328.343 2.256 40 0 EEABRN CC(=O)/N=c1/sccn1C[C@H](O)c1ccc(Br)cc1 ZINC000061880699 462603116 /nfs/dbraw/zinc/60/31/16/462603116.db2.gz UBZNXVFNNOPCSO-PRSJPOKTSA-N 0 0 341.230 2.493 40 0 EEABRN O=C1O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000004262151 462631071 /nfs/dbraw/zinc/63/10/71/462631071.db2.gz LSYWGADBJSVSSP-KBXIAJHMSA-N 0 0 338.400 2.432 40 0 EEABRN CCOC(=O)[C@H](CNc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000005499765 462661718 /nfs/dbraw/zinc/66/17/18/462661718.db2.gz KAAJPDCQBRIJAD-INIZCTEOSA-N 0 0 328.368 2.166 40 0 EEABRN CC(C)[C@H](O)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089391471 462673846 /nfs/dbraw/zinc/67/38/46/462673846.db2.gz VFSGXSRZDUGDKW-CHWSQXEVSA-N 0 0 346.349 2.487 40 0 EEABRN O=c1c2ccccc2nc2n1C1=Nc3ccccc3C(=O)N[C@H]1CC2 ZINC000006117574 462677149 /nfs/dbraw/zinc/67/71/49/462677149.db2.gz QSYOIPMDADNFRO-HNNXBMFYSA-N 0 0 330.347 2.033 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000006453790 462686970 /nfs/dbraw/zinc/68/69/70/462686970.db2.gz IVWPFJSCAAVVIH-UHFFFAOYSA-N 0 0 340.351 2.370 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)no1 ZINC000075165228 462689516 /nfs/dbraw/zinc/68/95/16/462689516.db2.gz TZPPMHDYJWOXRN-MRVPVSSYSA-N 0 0 330.266 2.405 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(C)s1 ZINC000006680144 462695609 /nfs/dbraw/zinc/69/56/09/462695609.db2.gz LQDSIZQONUDUPO-UHFFFAOYSA-N 0 0 344.483 2.346 40 0 EEABRN CC(C)OCCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000006754423 462702721 /nfs/dbraw/zinc/70/27/21/462702721.db2.gz OYZGZTMFQRUDMA-UHFFFAOYSA-N 0 0 343.221 2.319 40 0 EEABRN COCc1cc(C)nc(NN=C2c3ccccc3N(C)C2=O)c1C#N ZINC000006961374 462714474 /nfs/dbraw/zinc/71/44/74/462714474.db2.gz CSUWVGHDJHKHEQ-LTGZKZEYSA-N 0 0 335.367 2.201 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)cc1 ZINC000007077200 462720210 /nfs/dbraw/zinc/72/02/10/462720210.db2.gz YBCGIHVTHBEBEY-QWHCGFSZSA-N 0 0 342.461 2.057 40 0 EEABRN COC(=O)[C@@H](NC(=O)c1cc(C)nc2onc(C)c21)c1ccccc1 ZINC000064844268 462724486 /nfs/dbraw/zinc/72/44/86/462724486.db2.gz HGKVSJNHZGKAHX-HNNXBMFYSA-N 0 0 339.351 2.484 40 0 EEABRN O=C(Nc1cnc(N2CCOCC2)nc1)c1c(F)cccc1Cl ZINC000065224997 462744116 /nfs/dbraw/zinc/74/41/16/462744116.db2.gz GNSXRPNDCHCFLH-UHFFFAOYSA-N 0 0 336.754 2.358 40 0 EEABRN O=C(CN1C[C@H](n2cccn2)Cc2ccccc21)NCc1ccco1 ZINC000075929980 462774893 /nfs/dbraw/zinc/77/48/93/462774893.db2.gz PPFFNBVWDIITTI-MRXNPFEDSA-N 0 0 336.395 2.396 40 0 EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000008335672 462780668 /nfs/dbraw/zinc/78/06/68/462780668.db2.gz JRWWKNRDAHSRFM-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Nc1nnc(SCc2cc(=O)[nH]c(Nc3ccccc3)n2)s1 ZINC000009264633 462800643 /nfs/dbraw/zinc/80/06/43/462800643.db2.gz QDJKGDNLDLQBFS-UHFFFAOYSA-N 0 0 332.414 2.240 40 0 EEABRN C=Cn1nnc(NC(=O)COc2c(C)cc(Cl)cc2Cl)n1 ZINC000010119693 462813511 /nfs/dbraw/zinc/81/35/11/462813511.db2.gz UJZDWIJHRLNEIP-UHFFFAOYSA-N 0 0 328.159 2.406 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCc1ccccc1-n1ccnc1C ZINC000065750463 462824210 /nfs/dbraw/zinc/82/42/10/462824210.db2.gz YXAWLVGNOZHLAE-UHFFFAOYSA-N 0 0 346.412 2.264 40 0 EEABRN C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCCC[C@@H]1CCOC1 ZINC000012204067 462846669 /nfs/dbraw/zinc/84/66/69/462846669.db2.gz WZGBCBAHWCCFKK-XNJGSVPQSA-N 0 0 334.391 2.498 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000076377330 462850706 /nfs/dbraw/zinc/85/07/06/462850706.db2.gz KXFADWRZCUKWDC-ZIAGYGMSSA-N 0 0 329.849 2.355 40 0 EEABRN CCc1cccc(NC(=O)CNC(=O)c2cc3ccccc3c(=O)[nH]2)c1 ZINC000132398831 462854743 /nfs/dbraw/zinc/85/47/43/462854743.db2.gz KVEHFRYALFGRPQ-UHFFFAOYSA-N 0 0 349.390 2.459 40 0 EEABRN Cc1cc(Br)ccc1C(=O)N1CCC(CC(N)=O)CC1 ZINC000048606707 462923569 /nfs/dbraw/zinc/92/35/69/462923569.db2.gz NFDJEZBTQQDYTN-UHFFFAOYSA-N 0 0 339.233 2.485 40 0 EEABRN COc1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 ZINC000015423085 462953176 /nfs/dbraw/zinc/95/31/76/462953176.db2.gz QIBUJMMEZXTZLV-UHFFFAOYSA-N 0 0 343.221 2.314 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000017067680 462993337 /nfs/dbraw/zinc/99/33/37/462993337.db2.gz XITZTUTWNQRTLQ-AWEZNQCLSA-N 0 0 330.384 2.332 40 0 EEABRN CCN1C(=O)[C@@H]2[C@@H](C(=O)N(C)C23c2ccccc2-c2ccccc23)C1=O ZINC000018158666 463008379 /nfs/dbraw/zinc/00/83/79/463008379.db2.gz QCJCNECOFMLEBD-IRXDYDNUSA-N 0 0 346.386 2.004 40 0 EEABRN Cc1cc(C)cc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 ZINC000077611401 463011574 /nfs/dbraw/zinc/01/15/74/463011574.db2.gz QEUDBBWDUBVCIX-LSDHHAIUSA-N 0 0 338.473 2.063 40 0 EEABRN Cc1cc(C)cc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 ZINC000077611404 463011883 /nfs/dbraw/zinc/01/18/83/463011883.db2.gz QEUDBBWDUBVCIX-CABCVRRESA-N 0 0 338.473 2.063 40 0 EEABRN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1nc2c(s1)CCCC2 ZINC000019657944 463018703 /nfs/dbraw/zinc/01/87/03/463018703.db2.gz RDIAUOLURRGSRP-ZDUSSCGKSA-N 0 0 345.472 2.322 40 0 EEABRN CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000077845233 463062850 /nfs/dbraw/zinc/06/28/50/463062850.db2.gz QZDDTMCQRZTMFP-RFAUZJTJSA-N 0 0 330.787 2.331 40 0 EEABRN CN(C[C@@H]1CCOC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000095447945 463086840 /nfs/dbraw/zinc/08/68/40/463086840.db2.gz DBJOERSMEDIVLD-GJZGRUSLSA-N 0 0 335.423 2.472 40 0 EEABRN Cc1cccc2c(CCNC(=O)N3CCOC[C@H]3C[C@H](C)O)c[nH]c21 ZINC000135313144 463142629 /nfs/dbraw/zinc/14/26/29/463142629.db2.gz XUHCPSHUMYBKME-GOEBONIOSA-N 0 0 345.443 2.200 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 ZINC000096043060 463147353 /nfs/dbraw/zinc/14/73/53/463147353.db2.gz AYRJRFMLXCJLQE-BHYGNILZSA-N 0 0 327.384 2.293 40 0 EEABRN CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)CC1 ZINC000096043003 463148121 /nfs/dbraw/zinc/14/81/21/463148121.db2.gz YVULARZQQNQPOA-HRCADAONSA-N 0 0 349.500 2.381 40 0 EEABRN O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1COc2ccccc2C1=O ZINC000135362394 463148439 /nfs/dbraw/zinc/14/84/39/463148439.db2.gz IEQNLGNNQGWIPW-SJLPKXTDSA-N 0 0 337.375 2.451 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046076 463150749 /nfs/dbraw/zinc/15/07/49/463150749.db2.gz UMSYWWZYYZXCOQ-RRFJBIMHSA-N 0 0 347.415 2.052 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)n1 ZINC000096048579 463152271 /nfs/dbraw/zinc/15/22/71/463152271.db2.gz UCAFMCPZAWXRAN-MAUKXSAKSA-N 0 0 326.400 2.223 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)C4CCOCC4)C3)CC2=O)s1 ZINC000096050896 463155468 /nfs/dbraw/zinc/15/54/68/463155468.db2.gz IIHOMKFOPIPWHW-SFHVURJKSA-N 0 0 348.468 2.439 40 0 EEABRN Cc1cc(CNC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)on1 ZINC000078876791 463158544 /nfs/dbraw/zinc/15/85/44/463158544.db2.gz UJPGTZKPGBCOHH-UHFFFAOYSA-N 0 0 340.376 2.234 40 0 EEABRN Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cscn4)CC3)O2)n1 ZINC000096109940 463178253 /nfs/dbraw/zinc/17/82/53/463178253.db2.gz RPLIZOMDYKLMNL-LBPRGKRZSA-N 0 0 334.401 2.361 40 0 EEABRN Cc1noc([C@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)O2)n1 ZINC000096109969 463178688 /nfs/dbraw/zinc/17/86/88/463178688.db2.gz QIZZEVXXIVZKAK-CQSZACIVSA-N 0 0 335.404 2.017 40 0 EEABRN CC(C)n1cnc2c1C[C@@H](C(=O)N1CCCC1)C(=O)N2CC1CC1 ZINC000096147084 463186503 /nfs/dbraw/zinc/18/65/03/463186503.db2.gz REZJLNJWXIUFDK-AWEZNQCLSA-N 0 0 330.432 2.002 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161352 463192081 /nfs/dbraw/zinc/19/20/81/463192081.db2.gz RLADYEUFUFXNAO-MRXNPFEDSA-N 0 0 335.407 2.218 40 0 EEABRN O=C(c1cccnc1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187170 463198931 /nfs/dbraw/zinc/19/89/31/463198931.db2.gz SHQZQARJKQJJCD-SQNIBIBYSA-N 0 0 339.395 2.065 40 0 EEABRN O=C(CC(F)(F)F)N1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217233 463214810 /nfs/dbraw/zinc/21/48/10/463214810.db2.gz WXOAWULCBXIVOT-GFCCVEGCSA-N 0 0 334.367 2.309 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 ZINC000096227718 463221788 /nfs/dbraw/zinc/22/17/88/463221788.db2.gz DNQNYSXWFBTTOD-YOEHRIQHSA-N 0 0 333.457 2.292 40 0 EEABRN Cc1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)o1 ZINC000096244850 463225959 /nfs/dbraw/zinc/22/59/59/463225959.db2.gz XQUNVHVWEAFETH-PBHICJAKSA-N 0 0 332.425 2.093 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ccco1 ZINC000096248742 463227363 /nfs/dbraw/zinc/22/73/63/463227363.db2.gz IMTWFMBXAOUAIA-ZBFHGGJFSA-N 0 0 341.367 2.037 40 0 EEABRN Cc1ccc(N2CCCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)nn1 ZINC000096404513 463239043 /nfs/dbraw/zinc/23/90/43/463239043.db2.gz LSYYXOWURAREBI-CQSZACIVSA-N 0 0 343.258 2.408 40 0 EEABRN CC(C)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccccc1Cl ZINC000096406872 463240378 /nfs/dbraw/zinc/24/03/78/463240378.db2.gz VRDAZQTXVBOOSO-CQSZACIVSA-N 0 0 344.864 2.477 40 0 EEABRN C[C@H](OCC1CC1)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000096406383 463240564 /nfs/dbraw/zinc/24/05/64/463240564.db2.gz IGACYICXMXLLQD-NHYWBVRUSA-N 0 0 326.387 2.499 40 0 EEABRN CC[C@H](NC(=O)NCC[S@](C)=O)c1ccccc1OC(F)F ZINC000096408762 463241113 /nfs/dbraw/zinc/24/11/13/463241113.db2.gz CEOJTSVJBSRVSV-KPWVOAKYSA-N 0 0 334.388 2.417 40 0 EEABRN CO[C@@H](C(=O)NCCCNC(=O)c1occc1C)c1ccccc1 ZINC000096413985 463246301 /nfs/dbraw/zinc/24/63/01/463246301.db2.gz MGALHOWHVSLMFT-MRXNPFEDSA-N 0 0 330.384 2.212 40 0 EEABRN Cc1cc2ncn(C[C@@H](O)COc3cc(C)c(C)nn3)c2cc1C ZINC000096415103 463248523 /nfs/dbraw/zinc/24/85/23/463248523.db2.gz GROKCNREEMZNHA-OAHLLOKOSA-N 0 0 326.400 2.500 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2OCC2CC2)c1C ZINC000096416745 463249093 /nfs/dbraw/zinc/24/90/93/463249093.db2.gz YPMQWSLWGWUVQA-UHFFFAOYSA-N 0 0 341.411 2.116 40 0 EEABRN CS[C@H](CO)[C@@H](C)Nc1cc(-c2ccccc2)nc2ncnn21 ZINC000096417305 463249355 /nfs/dbraw/zinc/24/93/55/463249355.db2.gz AWDYGEMHVKRDDP-BXUZGUMPSA-N 0 0 329.429 2.316 40 0 EEABRN Cc1nccn1CCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416920 463249589 /nfs/dbraw/zinc/24/95/89/463249589.db2.gz HWOCXKJELUFKER-UHFFFAOYSA-N 0 0 342.321 2.348 40 0 EEABRN CC(C)COC[C@@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000096419908 463251896 /nfs/dbraw/zinc/25/18/96/463251896.db2.gz ITTJAQYVPXTGSF-BXUZGUMPSA-N 0 0 330.375 2.359 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000096421693 463252889 /nfs/dbraw/zinc/25/28/89/463252889.db2.gz CSAFKXTZNKPZBM-QGZVFWFLSA-N 0 0 340.427 2.128 40 0 EEABRN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426358 463255650 /nfs/dbraw/zinc/25/56/50/463255650.db2.gz TWSAVHMJYNEVQI-ZDUSSCGKSA-N 0 0 348.468 2.215 40 0 EEABRN C[C@@H](NS(=O)(=O)c1cccnc1)c1cccc(-n2ccnc2)c1 ZINC000096428718 463258470 /nfs/dbraw/zinc/25/84/70/463258470.db2.gz WOIANEFRVXGTET-CYBMUJFWSA-N 0 0 328.397 2.307 40 0 EEABRN CCc1nncn1CCNC(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000096434442 463262458 /nfs/dbraw/zinc/26/24/58/463262458.db2.gz MNNPGPHOJRKANX-UHFFFAOYSA-N 0 0 346.410 2.402 40 0 EEABRN Cc1ccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n1C ZINC000096435893 463263414 /nfs/dbraw/zinc/26/34/14/463263414.db2.gz ASFIKCICGGVIFG-LJQANCHMSA-N 0 0 341.455 2.241 40 0 EEABRN Cc1cc(CN2CCN(C(=O)Nc3cnn(CC(C)C)c3)CC2)no1 ZINC000096435514 463263750 /nfs/dbraw/zinc/26/37/50/463263750.db2.gz HPRHPERBTLUTMA-UHFFFAOYSA-N 0 0 346.435 2.185 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCc1ccc(C)nc1 ZINC000096440090 463267559 /nfs/dbraw/zinc/26/75/59/463267559.db2.gz KVKMJYQQTRDEMG-ZDUSSCGKSA-N 0 0 329.448 2.213 40 0 EEABRN COC(=O)[C@H](C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000096449234 463272327 /nfs/dbraw/zinc/27/23/27/463272327.db2.gz CCTOYLVKUGCLEU-IAQYHMDHSA-N 0 0 327.384 2.179 40 0 EEABRN O=C(CCc1ccc(Br)cc1)NCC1(O)CCOCC1 ZINC000096451369 463273204 /nfs/dbraw/zinc/27/32/04/463273204.db2.gz HSWDGVAAQNZXHI-UHFFFAOYSA-N 0 0 342.233 2.039 40 0 EEABRN O=C1[C@@H](N2CCC3(CC2)OCCO3)CCN1c1cccc(Cl)c1 ZINC000096455893 463275390 /nfs/dbraw/zinc/27/53/90/463275390.db2.gz MSFZGELCNJXSPF-HNNXBMFYSA-N 0 0 336.819 2.284 40 0 EEABRN C[C@](Cl)([C@@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096520228 463293643 /nfs/dbraw/zinc/29/36/43/463293643.db2.gz ZZCSVRMTEPVUAI-VHSXEESVSA-N 0 0 327.627 2.482 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1ccc(F)cc1 ZINC000096521392 463294293 /nfs/dbraw/zinc/29/42/93/463294293.db2.gz IWVXLMBJQJPGNM-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN CCc1nnc(CN2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)[nH]1 ZINC000097096430 463323001 /nfs/dbraw/zinc/32/30/01/463323001.db2.gz NGWDSAXKUVQQQP-OAHLLOKOSA-N 0 0 341.459 2.205 40 0 EEABRN Cc1ccc(C)c(N(C)Cc2cnn([C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000097103988 463325446 /nfs/dbraw/zinc/32/54/46/463325446.db2.gz HBSXMNQDAJZKSE-INIZCTEOSA-N 0 0 333.457 2.496 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)N3C[C@H]4OCCN(C)[C@H]4C3)s2)o1 ZINC000097237734 463353037 /nfs/dbraw/zinc/35/30/37/463353037.db2.gz PWOVLHIKHUYXFX-GXTWGEPZSA-N 0 0 332.425 2.472 40 0 EEABRN CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccccc2OC)N1 ZINC000032100036 463365421 /nfs/dbraw/zinc/36/54/21/463365421.db2.gz CODMJIXQGUCXCK-CQSZACIVSA-N 0 0 346.305 2.323 40 0 EEABRN Cc1ccc(N[C@@H]2CN(Cc3nccs3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000097953516 463366514 /nfs/dbraw/zinc/36/65/14/463366514.db2.gz DOHQTSNSKCLKLK-VBQJREDUSA-N 0 0 345.472 2.333 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1 ZINC000150940829 463455056 /nfs/dbraw/zinc/45/50/56/463455056.db2.gz YEVKFQMUULSKSM-UKRRQHHQSA-N 0 0 327.446 2.282 40 0 EEABRN CCCn1nnnc1CN1C[C@H](C)CN(C(C)=O)c2ccccc21 ZINC000081577349 463463960 /nfs/dbraw/zinc/46/39/60/463463960.db2.gz JDAHDTQXRNKTPC-ZDUSSCGKSA-N 0 0 328.420 2.092 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000057315128 463477689 /nfs/dbraw/zinc/47/76/89/463477689.db2.gz HTZSLWAURUCXLH-CHWSQXEVSA-N 0 0 338.835 2.343 40 0 EEABRN O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1c2ccccc2C[C@H]1O ZINC000081701268 463480595 /nfs/dbraw/zinc/48/05/95/463480595.db2.gz GUAHQAFQAMFEGG-QUCCMNQESA-N 0 0 333.391 2.189 40 0 EEABRN CC(=O)N1CCN(c2ccc([C@@H](O)c3ccccc3)c(C)n2)CC1 ZINC000072224781 463483754 /nfs/dbraw/zinc/48/37/54/463483754.db2.gz WARDRMCCDJHKBF-IBGZPJMESA-N 0 0 325.412 2.140 40 0 EEABRN Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000081758385 463488602 /nfs/dbraw/zinc/48/86/02/463488602.db2.gz RJQWHNPNDPTNQD-XMMPIXPASA-N 0 0 344.436 2.409 40 0 EEABRN COc1ccc(C(=O)NCC(=O)N2CCC(OCC(C)C)CC2)cc1 ZINC000058151396 463544368 /nfs/dbraw/zinc/54/43/68/463544368.db2.gz JXMFOSGOSBUJRL-UHFFFAOYSA-N 0 0 348.443 2.089 40 0 EEABRN Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000058162321 463546784 /nfs/dbraw/zinc/54/67/84/463546784.db2.gz ICXVBANWBMIQQY-OAHLLOKOSA-N 0 0 341.411 2.373 40 0 EEABRN Cc1cccc(OCCCNC(=O)c2cccnc2-n2cncn2)c1 ZINC000042655547 463585276 /nfs/dbraw/zinc/58/52/76/463585276.db2.gz QKQUMXOIXJVCBA-UHFFFAOYSA-N 0 0 337.383 2.170 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000108043760 463588421 /nfs/dbraw/zinc/58/84/21/463588421.db2.gz YHQXIONQMJRWTM-UONOGXRCSA-N 0 0 326.462 2.373 40 0 EEABRN O=C(C1CCC1)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108528605 463610299 /nfs/dbraw/zinc/61/02/99/463610299.db2.gz SRRGVFVZYOBBIE-UHFFFAOYSA-N 0 0 348.487 2.444 40 0 EEABRN CSc1cc(C(=O)CSc2nncn2C)ccc1NC(C)=O ZINC000043242847 463628635 /nfs/dbraw/zinc/62/86/35/463628635.db2.gz BHAVLIBLEVFWBC-UHFFFAOYSA-N 0 0 336.442 2.470 40 0 EEABRN CC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)on1 ZINC000085263688 463643373 /nfs/dbraw/zinc/64/33/73/463643373.db2.gz ADRAEMGEXCZRCX-UHFFFAOYSA-N 0 0 336.461 2.437 40 0 EEABRN Cc1noc(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)n1 ZINC000059984386 463648110 /nfs/dbraw/zinc/64/81/10/463648110.db2.gz SBZIBJWQXLEMBR-UHFFFAOYSA-N 0 0 327.344 2.381 40 0 EEABRN Cc1cccc(NC2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)n1 ZINC000073767502 463653534 /nfs/dbraw/zinc/65/35/34/463653534.db2.gz OIBROABZFXXRHQ-UHFFFAOYSA-N 0 0 340.427 2.412 40 0 EEABRN CCN(CC)S(=O)(=O)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000073797510 463657594 /nfs/dbraw/zinc/65/75/94/463657594.db2.gz OUFZBVZMKRYUIR-UHFFFAOYSA-N 0 0 342.486 2.035 40 0 EEABRN CSc1ncccc1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000043977085 463663899 /nfs/dbraw/zinc/66/38/99/463663899.db2.gz HEMUGZDTEHTMMC-UHFFFAOYSA-N 0 0 343.456 2.240 40 0 EEABRN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257261947 463758287 /nfs/dbraw/zinc/75/82/87/463758287.db2.gz LJKBESZKXURKGK-OAHLLOKOSA-N 0 0 327.384 2.320 40 0 EEABRN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000257282728 463760185 /nfs/dbraw/zinc/76/01/85/463760185.db2.gz OVAOISOXQYKIQJ-AWEZNQCLSA-N 0 0 338.371 2.449 40 0 EEABRN CCc1nc(CNC(=O)c2cccc(-c3c(C)noc3C)n2)no1 ZINC000257284865 463761206 /nfs/dbraw/zinc/76/12/06/463761206.db2.gz PEQSOPKLJQIQQL-UHFFFAOYSA-N 0 0 327.344 2.229 40 0 EEABRN c1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257283044 463761870 /nfs/dbraw/zinc/76/18/70/463761870.db2.gz OWOGHJAHEJKYPC-KRWDZBQOSA-N 0 0 341.411 2.081 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000193955432 463763921 /nfs/dbraw/zinc/76/39/21/463763921.db2.gz OBEGNVDXPSAXPI-CYBMUJFWSA-N 0 0 342.461 2.221 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccc(C)s2)n1 ZINC000257296946 463766755 /nfs/dbraw/zinc/76/67/55/463766755.db2.gz RFCYOBGOTWFOPY-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN CN(C)C(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)C2)ncn1 ZINC000257303937 463770444 /nfs/dbraw/zinc/77/04/44/463770444.db2.gz SJIPRKWQPQXHGJ-ZDUSSCGKSA-N 0 0 345.472 2.090 40 0 EEABRN CCCO[C@@H]1CCCN(C(=O)c2cncc(-c3cnc(N)nc3)c2)C1 ZINC000257310846 463773020 /nfs/dbraw/zinc/77/30/20/463773020.db2.gz UGWYLGXYSBLUQK-MRXNPFEDSA-N 0 0 341.415 2.152 40 0 EEABRN COCC(=O)N1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257311731 463773486 /nfs/dbraw/zinc/77/34/86/463773486.db2.gz UKTYTHIVKBIFLC-PMPSAXMXSA-N 0 0 334.391 2.173 40 0 EEABRN C[C@@]1(O)CCN(C(=O)c2cncs2)C[C@H]1Oc1cccc(F)c1 ZINC000257314676 463774616 /nfs/dbraw/zinc/77/46/16/463774616.db2.gz UYABAMVKVMKZAG-GDBMZVCRSA-N 0 0 336.388 2.327 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1O ZINC000257318722 463776682 /nfs/dbraw/zinc/77/66/82/463776682.db2.gz VPBWUGALITWSLB-NQUFMGSDSA-N 0 0 343.427 2.181 40 0 EEABRN CS(=O)(=O)N1CCC(Cc2ccc(-c3nccs3)cn2)CC1 ZINC000257320159 463776850 /nfs/dbraw/zinc/77/68/50/463776850.db2.gz VVPFBCKYKPVGRG-UHFFFAOYSA-N 0 0 337.470 2.419 40 0 EEABRN Cc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)s1 ZINC000257326917 463780033 /nfs/dbraw/zinc/78/00/33/463780033.db2.gz WZCVHTLWCNPJFQ-KRWDZBQOSA-N 0 0 331.441 2.213 40 0 EEABRN CC(=O)N1CC2(CCN(Cc3ncccc3F)CC2)C[C@H](O)C1(C)C ZINC000257336978 463783831 /nfs/dbraw/zinc/78/38/31/463783831.db2.gz YQWRDOOFXBZMKU-KRWDZBQOSA-N 0 0 349.450 2.195 40 0 EEABRN O=C(CCC1CCCC1)NC[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257340542 463785849 /nfs/dbraw/zinc/78/58/49/463785849.db2.gz ZGQGBUNGFIHJMJ-LJQANCHMSA-N 0 0 331.460 2.500 40 0 EEABRN COCCn1cc(NC(=O)Nc2cc(C)nn2-c2ccccn2)cn1 ZINC000194808618 463931977 /nfs/dbraw/zinc/93/19/77/463931977.db2.gz NZPGTBRKJFLEBR-UHFFFAOYSA-N 0 0 341.375 2.063 40 0 EEABRN C[C@@H]1CN(CCN(C)C(=O)NCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000194832080 463938688 /nfs/dbraw/zinc/93/86/88/463938688.db2.gz NPJMTTGRZJWJRJ-BETUJISGSA-N 0 0 341.402 2.215 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](CO)Cc1ccccc1C ZINC000195467383 464057861 /nfs/dbraw/zinc/05/78/61/464057861.db2.gz RLMGSYSBUMWYAY-INIZCTEOSA-N 0 0 349.452 2.194 40 0 EEABRN CCOCC(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558078 464076414 /nfs/dbraw/zinc/07/64/14/464076414.db2.gz SVYCADLAXMLTRI-CZUORRHYSA-N 0 0 330.350 2.392 40 0 EEABRN CN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccnc2ccccc12 ZINC000195562536 464076940 /nfs/dbraw/zinc/07/69/40/464076940.db2.gz YRUKRUQFANASEC-ZDUSSCGKSA-N 0 0 327.306 2.299 40 0 EEABRN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000195579673 464082282 /nfs/dbraw/zinc/08/22/82/464082282.db2.gz UQWBJLMNTXMXGH-NSHDSACASA-N 0 0 344.864 2.231 40 0 EEABRN COc1ccc(OC)c(NC(=O)CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC000279769245 464147746 /nfs/dbraw/zinc/14/77/46/464147746.db2.gz MZLSXNNUCMXJHZ-INIZCTEOSA-N 0 0 336.432 2.389 40 0 EEABRN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)n1 ZINC000224190630 464147879 /nfs/dbraw/zinc/14/78/79/464147879.db2.gz WSTFSPPRBPXLML-UHFFFAOYSA-N 0 0 348.472 2.255 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2ccnc(N3CCCCC3)n2)s1 ZINC000224208373 464149414 /nfs/dbraw/zinc/14/94/14/464149414.db2.gz AJRRJDXKRDFZKH-UHFFFAOYSA-N 0 0 331.445 2.470 40 0 EEABRN CCOc1ccc(-c2cnc(CCC(=O)N3CCN(C)CC3)o2)cc1 ZINC000224860805 464152587 /nfs/dbraw/zinc/15/25/87/464152587.db2.gz LWEOEDBQKHTSNP-UHFFFAOYSA-N 0 0 343.427 2.447 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1F ZINC000225211306 464154979 /nfs/dbraw/zinc/15/49/79/464154979.db2.gz ADXCWIDWXIUMHI-AWEZNQCLSA-N 0 0 344.386 2.368 40 0 EEABRN COCCNC(=O)c1ccc(Nc2ccc(OC)cc2OC)c(N)c1 ZINC000225433102 464160176 /nfs/dbraw/zinc/16/01/76/464160176.db2.gz LMQJXDCTUADLJC-UHFFFAOYSA-N 0 0 345.399 2.406 40 0 EEABRN O=C([C@H]1OCCc2ccccc21)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225457415 464161358 /nfs/dbraw/zinc/16/13/58/464161358.db2.gz SWWBXGVETPIMDW-YJBOKZPZSA-N 0 0 339.395 2.160 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225459924 464162657 /nfs/dbraw/zinc/16/26/57/464162657.db2.gz VTLZVBZTRGZMHH-OAHLLOKOSA-N 0 0 344.415 2.392 40 0 EEABRN O=C(NCc1ccccc1)N1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000225478241 464164013 /nfs/dbraw/zinc/16/40/13/464164013.db2.gz BPAPEHFFXJXELX-HOCLYGCPSA-N 0 0 337.379 2.370 40 0 biogenic,in-vitro EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000225504509 464166683 /nfs/dbraw/zinc/16/66/83/464166683.db2.gz TVIHJBIMTCFNTD-CYBMUJFWSA-N 0 0 332.429 2.288 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)n[nH]1 ZINC000225559801 464172444 /nfs/dbraw/zinc/17/24/44/464172444.db2.gz JVPTYOARRUZZTI-UHFFFAOYSA-N 0 0 338.820 2.243 40 0 EEABRN CCO[C@H]1C[C@@](O)(CNC(=O)Cc2c(F)cccc2F)C1(C)C ZINC000225613100 464175580 /nfs/dbraw/zinc/17/55/80/464175580.db2.gz NPKGDTAHCLNJSG-WMLDXEAASA-N 0 0 327.371 2.190 40 0 EEABRN CCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)c2cc(F)ccc21 ZINC000188661015 464336813 /nfs/dbraw/zinc/33/68/13/464336813.db2.gz HYEGPMFYQGCTES-CYBMUJFWSA-N 0 0 342.436 2.228 40 0 EEABRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cnn(C)c1C ZINC000271799826 464384519 /nfs/dbraw/zinc/38/45/19/464384519.db2.gz HTPPKQXFTCVBIP-BDJLRTHQSA-N 0 0 334.395 2.443 40 0 EEABRN Cc1cc(C(=O)NC[C@@]2(O)CCOC2)cc(Cl)c1Br ZINC000239539271 464443083 /nfs/dbraw/zinc/44/30/83/464443083.db2.gz AWAIOOKGAMOTLX-ZDUSSCGKSA-N 0 0 348.624 2.292 40 0 EEABRN Cc1cccc(CS(=O)(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000240067807 464445844 /nfs/dbraw/zinc/44/58/44/464445844.db2.gz SCPXFKRNZYVABM-INIZCTEOSA-N 0 0 346.456 2.241 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@H]3CCNc2ccccn2)nc1 ZINC000247532378 464691852 /nfs/dbraw/zinc/69/18/52/464691852.db2.gz PDOODYKWFGVFDX-CYBMUJFWSA-N 0 0 329.379 2.108 40 0 EEABRN CN(C)S(=O)(=O)CCC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000272999919 464698711 /nfs/dbraw/zinc/69/87/11/464698711.db2.gz XMOYDSLUWPFVDB-UHFFFAOYSA-N 0 0 345.490 2.411 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@H](Oc2ncccc2F)CS3)nn1 ZINC000247934254 464714938 /nfs/dbraw/zinc/71/49/38/464714938.db2.gz RTKIROQCYMOILI-LBPRGKRZSA-N 0 0 332.404 2.462 40 0 EEABRN CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000248151282 464735966 /nfs/dbraw/zinc/73/59/66/464735966.db2.gz UEBNHOHFVXTBMN-PBHICJAKSA-N 0 0 326.444 2.484 40 0 EEABRN Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]1[C@H]3C(=O)N1CCOCC1)O2 ZINC000248331677 464742616 /nfs/dbraw/zinc/74/26/16/464742616.db2.gz HROBZDOZRBDRMI-DDDRJPGCSA-N 0 0 341.407 2.214 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000190954593 464750335 /nfs/dbraw/zinc/75/03/35/464750335.db2.gz LFGVFYPLDKHECZ-ZDUSSCGKSA-N 0 0 331.445 2.304 40 0 EEABRN CCc1nnc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)o1 ZINC000248594805 464768967 /nfs/dbraw/zinc/76/89/67/464768967.db2.gz MCWNNNDEPABRGE-RWMBFGLXSA-N 0 0 336.436 2.367 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)[C@H](C)C2 ZINC000248696021 464788963 /nfs/dbraw/zinc/78/89/63/464788963.db2.gz DDIRMMHIDDARNA-YQYZPQCESA-N 0 0 332.444 2.410 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNc2cc(N3CCOCC3)ncn2)c1 ZINC000282389687 464800075 /nfs/dbraw/zinc/80/00/75/464800075.db2.gz ZRBHMONTUBEEGI-INIZCTEOSA-N 0 0 328.416 2.076 40 0 EEABRN CO[C@@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)CC[C@H]1C ZINC000251884254 464945579 /nfs/dbraw/zinc/94/55/79/464945579.db2.gz PXAZKPXMDSDJDV-SWHMAYCHSA-N 0 0 338.473 2.002 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCCc4c[nH]nc43)CCO2)n1 ZINC000252497247 464969766 /nfs/dbraw/zinc/96/97/66/464969766.db2.gz QCGCLAURWXSBRP-CHWSQXEVSA-N 0 0 347.444 2.335 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(COC)C(N)=S ZINC000252515082 464978525 /nfs/dbraw/zinc/97/85/25/464978525.db2.gz GYJOMULQFNGHQJ-BZPMIXESSA-N 0 0 347.889 2.159 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000252515463 464978733 /nfs/dbraw/zinc/97/87/33/464978733.db2.gz KGOMHKWVBJQRJM-SCRDCRAPSA-N 0 0 347.889 2.159 40 0 EEABRN FC(F)Oc1ccc([C@H]2CN(CCC3OCCO3)CCO2)cc1 ZINC000253419102 465007325 /nfs/dbraw/zinc/00/73/25/465007325.db2.gz IJEIZSYGFRUJAC-CQSZACIVSA-N 0 0 329.343 2.424 40 0 EEABRN COC(=O)[C@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)c1cc(C)cc(C)c1 ZINC000253421555 465008925 /nfs/dbraw/zinc/00/89/25/465008925.db2.gz XRIVRNXDNGIGPM-SUMWQHHRSA-N 0 0 341.411 2.162 40 0 EEABRN CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000253427701 465011232 /nfs/dbraw/zinc/01/12/32/465011232.db2.gz DGLUXODHORMDPB-WMLDXEAASA-N 0 0 347.459 2.074 40 0 EEABRN CCOc1ccccc1CCNC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000253431935 465014381 /nfs/dbraw/zinc/01/43/81/465014381.db2.gz VMXQGSAYIOKFJD-HNNXBMFYSA-N 0 0 328.416 2.208 40 0 EEABRN CC(C)S(=O)(=O)CC(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000330564844 465708362 /nfs/dbraw/zinc/70/83/62/465708362.db2.gz KJUXAFQEBBMMIK-OAHLLOKOSA-N 0 0 349.374 2.185 40 0 EEABRN Cc1cccc(N2CCN(c3ncnc(-n4cccn4)c3N)CC2)c1C ZINC000301682855 466008958 /nfs/dbraw/zinc/00/89/58/466008958.db2.gz KLKSIIZNDGRJPW-UHFFFAOYSA-N 0 0 349.442 2.188 40 0 EEABRN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000331532834 466128383 /nfs/dbraw/zinc/12/83/83/466128383.db2.gz SOGIUDFXLFJLCN-XZJROXQQSA-N 0 0 336.480 2.404 40 0 EEABRN CN1c2ccccc2C2(CCN(Cc3ccccn3)CC2)S1(=O)=O ZINC000306143664 466494699 /nfs/dbraw/zinc/49/46/99/466494699.db2.gz YIJOVYWFELOYHO-UHFFFAOYSA-N 0 0 343.452 2.353 40 0 EEABRN O=C(NC[C@H]1CCCn2ccnc21)N1CCCC[C@H]1c1cc[nH]n1 ZINC000332841817 466576532 /nfs/dbraw/zinc/57/65/32/466576532.db2.gz LHEYQTUHDYWZQM-HIFRSBDPSA-N 0 0 328.420 2.420 40 0 EEABRN Cn1ccc(CCNC(=O)Cc2ccc(F)cc2Br)n1 ZINC000390834330 467414055 /nfs/dbraw/zinc/41/40/55/467414055.db2.gz WKQVHMUQZGEUIN-UHFFFAOYSA-N 0 0 340.196 2.223 40 0 EEABRN COc1ccccc1C=Cc1nc2c(cnn2-c2ncccn2)c(=O)[nH]1 ZINC000390835246 467415073 /nfs/dbraw/zinc/41/50/73/467415073.db2.gz HREVSCVPOZUJMU-BQYQJAHWSA-N 0 0 346.350 2.490 40 0 EEABRN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000516787425 468047063 /nfs/dbraw/zinc/04/70/63/468047063.db2.gz VVCLRMWHKKIPFS-ZDUSSCGKSA-N 0 0 346.427 2.021 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575402554 468140595 /nfs/dbraw/zinc/14/05/95/468140595.db2.gz BWVIZAPLQPDKOF-SRIISGBFSA-N 0 0 330.428 2.118 40 0 EEABRN O=S1(=O)CC[C@@H](CNC(=S)Nc2nc3ccccc3s2)C1 ZINC000575422860 468143758 /nfs/dbraw/zinc/14/37/58/468143758.db2.gz DAAHOYPCEFPUGI-VIFPVBQESA-N 0 0 341.483 2.017 40 0 EEABRN COc1ccccc1C1(C(=O)N[C@@H](Cn2cncn2)C(C)C)CC1 ZINC000575606089 468145418 /nfs/dbraw/zinc/14/54/18/468145418.db2.gz CZNAHWBLRONTDJ-HNNXBMFYSA-N 0 0 328.416 2.159 40 0 EEABRN CCOC(=O)CCC(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575604965 468145678 /nfs/dbraw/zinc/14/56/78/468145678.db2.gz DOVHVLMYOLDXPZ-LLVKDONJSA-N 0 0 326.780 2.058 40 0 EEABRN Cc1c(NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)nnn1C ZINC000585090778 468962636 /nfs/dbraw/zinc/96/26/36/468962636.db2.gz HIYRJCDCOCDHCC-ZDUSSCGKSA-N 0 0 326.360 2.217 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2ncccc2c1 ZINC000585094606 468963548 /nfs/dbraw/zinc/96/35/48/468963548.db2.gz DYAQYBGWKYEYOJ-OAHLLOKOSA-N 0 0 336.395 2.182 40 0 EEABRN Cc1cc(CN2CCn3c(CCOCC4CC4)cnc3[C@@H]2C)n(C)n1 ZINC000585097718 468965794 /nfs/dbraw/zinc/96/57/94/468965794.db2.gz NEBVPJUGJPHZIH-HNNXBMFYSA-N 0 0 343.475 2.471 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 ZINC000585141533 468989973 /nfs/dbraw/zinc/98/99/73/468989973.db2.gz CAKZMMRHAINSQG-CVEARBPZSA-N 0 0 349.456 2.181 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(c3ccncn3)C2)n1 ZINC000585177430 468994504 /nfs/dbraw/zinc/99/45/04/468994504.db2.gz DJENYZTUBMMRFQ-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN CO[C@@H]1CCN(CC(=O)Nc2cc(F)ccc2C)C[C@@]12CCCO2 ZINC000585266364 468995624 /nfs/dbraw/zinc/99/56/24/468995624.db2.gz SWAVHZQTCAJZEG-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@H]1CCCN(CC(=O)Nc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000585276139 469001170 /nfs/dbraw/zinc/00/11/70/469001170.db2.gz KFDKHEXVNVDHCG-ROUUACIJSA-N 0 0 342.443 2.081 40 0 EEABRN O=C(CCCn1ccnc1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585276206 469001208 /nfs/dbraw/zinc/00/12/08/469001208.db2.gz LBNDTIWWKVCPGF-SJLPKXTDSA-N 0 0 345.418 2.255 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585277907 469003554 /nfs/dbraw/zinc/00/35/54/469003554.db2.gz QRXRMKRSQBVKFI-GOSISDBHSA-N 0 0 345.374 2.234 40 0 EEABRN CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1OC ZINC000585287750 469009759 /nfs/dbraw/zinc/00/97/59/469009759.db2.gz DREWFZMUTXEQFZ-MCIONIFRSA-N 0 0 347.333 2.206 40 0 EEABRN CC1(C)CCC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)CO1 ZINC000585290840 469010843 /nfs/dbraw/zinc/01/08/43/469010843.db2.gz HPZCNNMENUEJON-ONEGZZNKSA-N 0 0 336.476 2.073 40 0 EEABRN Cn1nccc1/C=C/C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585289545 469010989 /nfs/dbraw/zinc/01/09/89/469010989.db2.gz JONUOEMAJVMHMS-VCVRMXLYSA-N 0 0 325.412 2.028 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000624338724 469909582 /nfs/dbraw/zinc/90/95/82/469909582.db2.gz BNSVHGMSVJBDSC-AWEZNQCLSA-N 0 0 328.416 2.179 40 0 EEABRN Cc1ccc(C(=O)N2CCc3c(nnn3C)[C@@H]2COCC2CC2)s1 ZINC000096045308 500968385 /nfs/dbraw/zinc/96/83/85/500968385.db2.gz YAEZQJCUXAORAA-AWEZNQCLSA-N 0 0 346.456 2.351 40 0 EEABRN Cc1nc(CN2CCN(Cc3nccn3C(F)F)CC2)oc1C ZINC000171546417 534360803 /nfs/dbraw/zinc/36/08/03/534360803.db2.gz NLZNGXVMCBKPSE-UHFFFAOYSA-N 0 0 325.363 2.201 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000095404496 534687038 /nfs/dbraw/zinc/68/70/38/534687038.db2.gz UBHLJIVXNXWCHZ-HZPDHXFCSA-N 0 0 340.431 2.430 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cccs2)n1 ZINC000257258725 534776175 /nfs/dbraw/zinc/77/61/75/534776175.db2.gz KVFWKDUZOVJTRY-AWEZNQCLSA-N 0 0 330.413 2.152 40 0 EEABRN COc1ccc(NC(=O)CS(=O)(=O)c2ccccn2)cc1Cl ZINC000047620209 524503873 /nfs/dbraw/zinc/50/38/73/524503873.db2.gz GGBQGWZUVBYUFX-UHFFFAOYSA-N 0 0 340.788 2.156 40 0 EEABRN CC(C)n1cnc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 ZINC000225604097 535100487 /nfs/dbraw/zinc/10/04/87/535100487.db2.gz UZUDVCKOVKXBTN-UHFFFAOYSA-N 0 0 337.383 2.321 40 0 EEABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222758587 535372371 /nfs/dbraw/zinc/37/23/71/535372371.db2.gz QVGBNPVWDUWNSU-WBVHZDCISA-N 0 0 332.444 2.355 40 0 EEABRN CCO[C@H](CNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1 ZINC000193708200 535614729 /nfs/dbraw/zinc/61/47/29/535614729.db2.gz TUQRQLIXOZUVGC-MRXNPFEDSA-N 0 0 334.416 2.313 40 0 EEABRN COc1cccc([C@H]2Cn3ccnc3CN2C(=O)C2CCOCC2)c1 ZINC000257249609 536913573 /nfs/dbraw/zinc/91/35/73/536913573.db2.gz JJBHEFJCKSGYEK-QGZVFWFLSA-N 0 0 341.411 2.402 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2ccc(CC)cc2)n1 ZINC000057316618 537694287 /nfs/dbraw/zinc/69/42/87/537694287.db2.gz QJBLZSQBULQACU-UHFFFAOYSA-N 0 0 332.433 2.162 40 0 EEABRN Cn1nnc2c1ncnc2NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC000895817693 684735544 /nfs/dbraw/zinc/73/55/44/684735544.db2.gz VBYLVWFVVUGFHF-UHFFFAOYSA-N 0 0 349.320 2.078 40 0 EEABRN CS(=O)(=O)c1ccnc(NC(=O)NCC[C@H]2CCC(F)(F)C2)c1 ZINC000932167288 1207551474 /nfs/dbraw/zinc/55/14/74/1207551474.db2.gz NWECUVLFNQKWLY-SNVBAGLBSA-N 0 0 347.387 2.432 40 0 EEABRN O=C(c1c[nH]cc1Cc1ccccc1)N1CCO[C@@H](c2ncon2)C1 ZINC000935329912 1208133891 /nfs/dbraw/zinc/13/38/91/1208133891.db2.gz CMDFWBWVOXUPAQ-MRXNPFEDSA-N 0 0 338.367 2.202 40 0 EEABRN Cc1ccc2oc(N3CCN(CCO[C@H]4CCOC4)CC3)nc2c1 ZINC000929539007 1410230313 /nfs/dbraw/zinc/23/03/13/1410230313.db2.gz FVENWGBOUUGREC-HNNXBMFYSA-N 0 0 331.416 2.064 40 0 EEABRN CN(CC(=O)NC1CC1)C(=O)c1ccccc1C(=O)c1cccs1 ZINC000098081010 219080454 /nfs/dbraw/zinc/08/04/54/219080454.db2.gz FOQSZMNQYXVVBS-UHFFFAOYSA-N 0 0 342.420 2.330 40 0 EEABRN CNC(=O)c1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189899554 529941284 /nfs/dbraw/zinc/94/12/84/529941284.db2.gz ZVICOXCSHSCQFL-MRXNPFEDSA-N 0 0 331.416 2.469 40 0 EEABRN CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000155019078 529967208 /nfs/dbraw/zinc/96/72/08/529967208.db2.gz CLKOYBHTNSLWIW-GFCCVEGCSA-N 0 0 341.205 2.025 40 0 EEABRN Cc1cccc2cc(CN(CCO)C(=S)NCC(C)C)c(=O)[nH]c12 ZINC000004131763 210128367 /nfs/dbraw/zinc/12/83/67/210128367.db2.gz UHOGWDQYROGCIY-UHFFFAOYSA-N 0 0 347.484 2.161 40 0 EEABRN Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)c1 ZINC000154700471 539482956 /nfs/dbraw/zinc/48/29/56/539482956.db2.gz NYZQNULWOGLCAU-UHFFFAOYSA-N 0 0 335.411 2.239 40 0 EEABRN CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646446 213522937 /nfs/dbraw/zinc/52/29/37/213522937.db2.gz DMJHFDGYQQPYNZ-SSDOTTSWSA-N 0 0 338.713 2.184 40 0 EEABRN CN(c1ccccc1)C1=NS(=O)(=O)N=C(N(C)c2ccccc2)O1 ZINC000001711386 209785331 /nfs/dbraw/zinc/78/53/31/209785331.db2.gz GRVATEUMRUOCGH-UHFFFAOYSA-N 0 0 344.396 2.246 40 0 EEABRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1 ZINC000038510640 213212409 /nfs/dbraw/zinc/21/24/09/213212409.db2.gz XEHUPHWFYYMQQB-UHFFFAOYSA-N 0 0 347.440 2.343 40 0 EEABRN C[C@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)[C@H]1CO ZINC000190492426 290544636 /nfs/dbraw/zinc/54/46/36/290544636.db2.gz OFVBWJFIXVEECI-JSGCOSHPSA-N 0 0 337.489 2.367 40 0 EEABRN CCc1oc(C(=O)NCCS(=O)(=O)Nc2ccccc2)cc1C ZINC000095414601 237053444 /nfs/dbraw/zinc/05/34/44/237053444.db2.gz DSWCENPMYJIEAE-UHFFFAOYSA-N 0 0 336.413 2.322 40 0 EEABRN O=C(CN(CCO)c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000096461290 237060543 /nfs/dbraw/zinc/06/05/43/237060543.db2.gz WJNWVZVNXZGTOD-CYBMUJFWSA-N 0 0 330.350 2.286 40 0 EEABRN Cc1ccccc1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237902 216075896 /nfs/dbraw/zinc/07/58/96/216075896.db2.gz SDNGXJZXGUZKGB-RTBURBONSA-N 0 0 338.407 2.210 40 0 EEABRN Cc1ccc2c(cnn2CCC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000072250162 216083688 /nfs/dbraw/zinc/08/36/88/216083688.db2.gz ADCOJJOLBFOOCL-OAHLLOKOSA-N 0 0 342.443 2.252 40 0 EEABRN CCOc1cc(C(=O)N2CCN(CC)CC2)nn1-c1ccccc1 ZINC000072264721 216086298 /nfs/dbraw/zinc/08/62/98/216086298.db2.gz NJGJKEZDUXJDEU-UHFFFAOYSA-N 0 0 328.416 2.049 40 0 EEABRN CCn1cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000072339832 216157837 /nfs/dbraw/zinc/15/78/37/216157837.db2.gz LNJZQPMLQJUPPH-UHFFFAOYSA-N 0 0 336.399 2.019 40 0 EEABRN Cc1cc(N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)ncn1 ZINC000072368999 216175913 /nfs/dbraw/zinc/17/59/13/216175913.db2.gz LBNCMMGQNHRJPQ-HNNXBMFYSA-N 0 0 334.383 2.272 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@H](Cc2ccc(NCc3ccccc3)nn2)C1 ZINC000072387256 216186824 /nfs/dbraw/zinc/18/68/24/216186824.db2.gz ADHMYCJLPROYEP-MRXNPFEDSA-N 0 0 340.427 2.428 40 0 EEABRN CCOC(=O)Cn1nc(-c2ccco2)c(-c2cc(C)no2)cc1=O ZINC000072396647 216192489 /nfs/dbraw/zinc/19/24/89/216192489.db2.gz PCOPEICHZKZHPV-UHFFFAOYSA-N 0 0 329.312 2.030 40 0 EEABRN O=C(C1CC1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000072395574 216193197 /nfs/dbraw/zinc/19/31/97/216193197.db2.gz KLJVCJDGIBHUCV-NWDGAFQWSA-N 0 0 343.353 2.214 40 0 EEABRN CN1CCN(C(=O)c2ccccc2S(C)(=O)=O)c2ccc(F)cc21 ZINC000072535232 216270490 /nfs/dbraw/zinc/27/04/90/216270490.db2.gz KCONBWKJADSHER-UHFFFAOYSA-N 0 0 348.399 2.326 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000072552573 216273159 /nfs/dbraw/zinc/27/31/59/216273159.db2.gz YAEPBILQACOQCK-AWEZNQCLSA-N 0 0 333.392 2.331 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3ncoc3-c3ccco3)CC2)S1 ZINC000073118998 216352631 /nfs/dbraw/zinc/35/26/31/216352631.db2.gz FORQGQXTMQFMAP-NSHDSACASA-N 0 0 346.412 2.184 40 0 EEABRN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O ZINC000022606666 212310024 /nfs/dbraw/zinc/31/00/24/212310024.db2.gz ZOXQJCRBDJXEHY-UHFFFAOYSA-N 0 0 344.742 2.189 40 0 EEABRN COc1cc(C(=O)N2CCN(C[C@H]3CCC=CO3)CC2)ccc1C ZINC000193775882 240306039 /nfs/dbraw/zinc/30/60/39/240306039.db2.gz KKODOCUACFGOKE-QGZVFWFLSA-N 0 0 330.428 2.454 40 0 EEABRN CCO[C@@H](CNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1 ZINC000193708191 240275754 /nfs/dbraw/zinc/27/57/54/240275754.db2.gz TUQRQLIXOZUVGC-INIZCTEOSA-N 0 0 334.416 2.313 40 0 EEABRN CCC[C@@]1(COC)CCCN1C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000193851529 240336675 /nfs/dbraw/zinc/33/66/75/240336675.db2.gz DDEOFJFRDUZRCM-KDOFPFPSSA-N 0 0 349.479 2.146 40 0 EEABRN Cc1ccc(Cl)cc1N(CC(=O)NCC(C)C)S(C)(=O)=O ZINC000022273562 212288098 /nfs/dbraw/zinc/28/80/98/212288098.db2.gz ZOYJJMLOZBJCGT-UHFFFAOYSA-N 0 0 332.853 2.187 40 0 EEABRN CCn1cc(C(=O)N2CCN(CC)CC2)c(=O)c2cc(C)ccc21 ZINC000022234708 212283765 /nfs/dbraw/zinc/28/37/65/212283765.db2.gz OVYQKICTJYVIOW-UHFFFAOYSA-N 0 0 327.428 2.108 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(COC)C(N)=S ZINC000218512200 241329227 /nfs/dbraw/zinc/32/92/27/241329227.db2.gz MECCANAPGGJGMX-SGMGOOAPSA-N 0 0 347.889 2.159 40 0 EEABRN O=C(NCc1ccccn1)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223391774 241641961 /nfs/dbraw/zinc/64/19/61/241641961.db2.gz KRLQFPLMQXSMBU-SFHVURJKSA-N 0 0 348.406 2.370 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1cccc(F)c1 ZINC000223834651 241695573 /nfs/dbraw/zinc/69/55/73/241695573.db2.gz NNSNKDOUSSWYSL-UHFFFAOYSA-N 0 0 340.420 2.208 40 0 EEABRN Cc1noc2ncnc(NC[C@@H](CO)Cc3ccc(F)c(F)c3)c12 ZINC000225697213 241991315 /nfs/dbraw/zinc/99/13/15/241991315.db2.gz NPMCNHQMXYGLCF-NSHDSACASA-N 0 0 334.326 2.468 40 0 EEABRN COc1nccnc1O[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000225807381 242046270 /nfs/dbraw/zinc/04/62/70/242046270.db2.gz ZMZHJOUWCAUVKB-OAHLLOKOSA-N 0 0 327.384 2.098 40 0 EEABRN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@@]2(C)O1 ZINC000226627551 242106357 /nfs/dbraw/zinc/10/63/57/242106357.db2.gz BGKPLIMRLZNFRS-CYJAXWMASA-N 0 0 341.363 2.121 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000226851739 242117947 /nfs/dbraw/zinc/11/79/47/242117947.db2.gz ZVMWGSRXKZDMQO-GOEBONIOSA-N 0 0 329.400 2.243 40 0 EEABRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000021186807 212214944 /nfs/dbraw/zinc/21/49/44/212214944.db2.gz MDZFDUSGSKRDGF-CQSZACIVSA-N 0 0 336.413 2.099 40 0 EEABRN CS(=O)(=O)c1cccc(C(=O)Cn2c3ccccc3sc2=O)c1 ZINC000239637128 242959561 /nfs/dbraw/zinc/95/95/61/242959561.db2.gz BIZZNFOAWCVJNU-UHFFFAOYSA-N 0 0 347.417 2.349 40 0 EEABRN C[C@@]1(C(=O)N[C@@H]2C=C[C@H](CO)C2)CC(c2ccccc2Cl)=NO1 ZINC000242338928 243016990 /nfs/dbraw/zinc/01/69/90/243016990.db2.gz ZDPWLLLZTIVXLT-JKDFXYPNSA-N 0 0 334.803 2.276 40 0 EEABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCOCC1 ZINC000020492783 212139401 /nfs/dbraw/zinc/13/94/01/212139401.db2.gz KWCMYQBRYTYCTB-INIZCTEOSA-N 0 0 340.851 2.336 40 0 EEABRN Cc1cc(C(=O)N2Cc3cccn3[C@H](COc3ccccn3)C2)on1 ZINC000253600435 244034736 /nfs/dbraw/zinc/03/47/36/244034736.db2.gz PNCBQLVDAPBDCC-HNNXBMFYSA-N 0 0 338.367 2.456 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](OCc2cccnc2)CS3)on1 ZINC000253600661 244034810 /nfs/dbraw/zinc/03/48/10/244034810.db2.gz VSOJNABPMKBYAX-CQSZACIVSA-N 0 0 345.424 2.295 40 0 EEABRN CSc1nc(=O)n(C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)n1C ZINC000255187793 244046279 /nfs/dbraw/zinc/04/62/79/244046279.db2.gz GUMZXLMWBWROFI-BDAKNGLRSA-N 0 0 337.367 2.033 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)s1 ZINC000257204260 244130445 /nfs/dbraw/zinc/13/04/45/244130445.db2.gz ATTATVYVOOTFGG-LBPRGKRZSA-N 0 0 332.429 2.374 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)on1 ZINC000257206120 244132740 /nfs/dbraw/zinc/13/27/40/244132740.db2.gz BBXZPKJTSJPTQL-HNNXBMFYSA-N 0 0 344.415 2.441 40 0 EEABRN CN(C(=O)c1cnc(C2CC2)nc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257200027 244113490 /nfs/dbraw/zinc/11/34/90/244113490.db2.gz ABRUJQNPHCIYQH-MRXNPFEDSA-N 0 0 337.427 2.490 40 0 EEABRN Cc1nc2cc(C(=O)N3CCO[C@@H](c4nccc(C)n4)C3)ccc2[nH]1 ZINC000257206683 244137643 /nfs/dbraw/zinc/13/76/43/244137643.db2.gz BEMVBLIWSDJNBU-MRXNPFEDSA-N 0 0 337.383 2.183 40 0 EEABRN Cc1cc(CC[C@@H]2CN(C(=O)Cc3ccsc3)CCO2)ncn1 ZINC000257212728 244155713 /nfs/dbraw/zinc/15/57/13/244155713.db2.gz CEROAQXITOIDCB-MRXNPFEDSA-N 0 0 331.441 2.249 40 0 EEABRN CC(C)(C)CC(=O)N1CCC[C@@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257216349 244168352 /nfs/dbraw/zinc/16/83/52/244168352.db2.gz CUEAIZYCSJWNQF-CYBMUJFWSA-N 0 0 332.448 2.183 40 0 EEABRN COc1ccccc1C(=O)N1CCOC[C@H]1CCc1nccnc1C ZINC000257222613 244188027 /nfs/dbraw/zinc/18/80/27/244188027.db2.gz DTZVHXUEKKDHST-OAHLLOKOSA-N 0 0 341.411 2.267 40 0 EEABRN Cn1nccc1C(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257219385 244177890 /nfs/dbraw/zinc/17/78/90/244177890.db2.gz DGPCWQAOJDSJQA-OAHLLOKOSA-N 0 0 338.411 2.233 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2ccsc2)n1 ZINC000257219425 244178988 /nfs/dbraw/zinc/17/89/88/244178988.db2.gz DGSXOZWMFZWBFE-INIZCTEOSA-N 0 0 344.440 2.080 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 ZINC000257220220 244182877 /nfs/dbraw/zinc/18/28/77/244182877.db2.gz DKBZWWJXSLZKCD-MRXNPFEDSA-N 0 0 349.394 2.280 40 0 EEABRN CCn1nccc1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257220687 244182956 /nfs/dbraw/zinc/18/29/56/244182956.db2.gz DLSLVRCGFRQWRP-UHFFFAOYSA-N 0 0 334.445 2.104 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccncc1 ZINC000257234202 244224408 /nfs/dbraw/zinc/22/44/08/244224408.db2.gz GSODZFIDXMJPBH-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN O=C(c1cccc2ncccc21)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257239718 244238376 /nfs/dbraw/zinc/23/83/76/244238376.db2.gz HQMAKZDTQBXFPM-RTBURBONSA-N 0 0 334.375 2.499 40 0 EEABRN CCOc1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000020105641 212101485 /nfs/dbraw/zinc/10/14/85/212101485.db2.gz JEEKFJLHLVYWLS-UHFFFAOYSA-N 0 0 348.424 2.387 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)cs1 ZINC000257252884 244273320 /nfs/dbraw/zinc/27/33/20/244273320.db2.gz JWNFQEVXANHQFN-AWEZNQCLSA-N 0 0 332.429 2.001 40 0 EEABRN Cc1ocnc1C(=O)N1CCOC[C@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257257528 244288504 /nfs/dbraw/zinc/28/85/04/244288504.db2.gz KQAMHXAKJFLURQ-CQSZACIVSA-N 0 0 340.383 2.191 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H](Cc3n[nH]cc3C)C2)n1 ZINC000257259050 244291394 /nfs/dbraw/zinc/29/13/94/244291394.db2.gz KWQJRLLUSXTFLE-ZDUSSCGKSA-N 0 0 331.420 2.077 40 0 EEABRN Cc1ccc(Oc2cccc([C@@H]3CN(CC(N)=O)CCO3)n2)cc1 ZINC000257265514 244361908 /nfs/dbraw/zinc/36/19/08/244361908.db2.gz LYYSNWOEWYYNSO-INIZCTEOSA-N 0 0 327.384 2.041 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccs3)CCN2C)c1 ZINC000257267098 244363346 /nfs/dbraw/zinc/36/33/46/244363346.db2.gz MFYSLHSUYMYRIQ-HNNXBMFYSA-N 0 0 343.452 2.237 40 0 EEABRN Cc1cc(N2CCC[C@]2(C)c2nc(C)cc(C(=O)N(C)C)n2)ncn1 ZINC000257261611 244350593 /nfs/dbraw/zinc/35/05/93/244350593.db2.gz LIBYBCBNINWHQK-GOSISDBHSA-N 0 0 340.431 2.101 40 0 EEABRN CNC(=O)CN1CCCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257263358 244352662 /nfs/dbraw/zinc/35/26/62/244352662.db2.gz LPMROHBVZIOUOV-OAHLLOKOSA-N 0 0 340.431 2.197 40 0 EEABRN O=C(CC1CCOCC1)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257273776 244386588 /nfs/dbraw/zinc/38/65/88/244386588.db2.gz NICYSUVRDZZYPS-OAHLLOKOSA-N 0 0 344.415 2.305 40 0 EEABRN CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(Cl)cc1 ZINC000257275071 244388552 /nfs/dbraw/zinc/38/85/52/244388552.db2.gz NNTYZHFIOZDZLB-KRWDZBQOSA-N 0 0 344.802 2.008 40 0 EEABRN Cc1ncc(-c2cncc(C[C@@H]3CCN(C(=O)C(C)C)C3)n2)n1C ZINC000257277689 244399360 /nfs/dbraw/zinc/39/93/60/244399360.db2.gz NYZZXLXZVFPELI-AWEZNQCLSA-N 0 0 327.432 2.233 40 0 EEABRN Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cncnc2C)n1 ZINC000257297290 244451910 /nfs/dbraw/zinc/45/19/10/244451910.db2.gz RGQXXQIKOCNBSU-SFHVURJKSA-N 0 0 340.431 2.101 40 0 EEABRN C[C@@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 ZINC000019749451 212062412 /nfs/dbraw/zinc/06/24/12/212062412.db2.gz XJIPNOMKWBCVGQ-GFCCVEGCSA-N 0 0 344.390 2.118 40 0 EEABRN C[C@@H](Cn1cncn1)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019457799 212030069 /nfs/dbraw/zinc/03/00/69/212030069.db2.gz SAHQQBYFMJACCU-GJZGRUSLSA-N 0 0 346.406 2.371 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3F)C2)nc1 ZINC000078086559 217020921 /nfs/dbraw/zinc/02/09/21/217020921.db2.gz YOHOPNJDBYCMFH-CYBMUJFWSA-N 0 0 342.374 2.415 40 0 EEABRN C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 ZINC000049959287 214037262 /nfs/dbraw/zinc/03/72/62/214037262.db2.gz IDKHDMYFQLHKKG-KRWDZBQOSA-N 0 0 334.441 2.184 40 0 EEABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nc(C)nc2C)c1 ZINC000019285724 212010882 /nfs/dbraw/zinc/01/08/82/212010882.db2.gz PFUWIPXOMGCHJA-MRXNPFEDSA-N 0 0 344.415 2.276 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019117714 212000856 /nfs/dbraw/zinc/00/08/56/212000856.db2.gz CDCLYGXXENQJIN-OAHLLOKOSA-N 0 0 341.411 2.448 40 0 EEABRN COc1ccc(C(C)(C)CNC(=O)N2CCO[C@H](C)C2)cc1OC ZINC000078602592 217084301 /nfs/dbraw/zinc/08/43/01/217084301.db2.gz HQUFONMEBGOBQY-CYBMUJFWSA-N 0 0 336.432 2.412 40 0 EEABRN C[C@@H]1COC2(CCN(C(=O)c3cncc(Br)c3)CC2)O1 ZINC000078845821 217134551 /nfs/dbraw/zinc/13/45/51/217134551.db2.gz ZIHNMHTVZKHFGZ-SNVBAGLBSA-N 0 0 341.205 2.212 40 0 EEABRN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cccc(Cl)n1 ZINC000078910677 217146483 /nfs/dbraw/zinc/14/64/83/217146483.db2.gz XZADAUBMFZKTJT-GFCCVEGCSA-N 0 0 341.864 2.412 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000078986084 217165206 /nfs/dbraw/zinc/16/52/06/217165206.db2.gz KXDSOFAFMUGVEP-CMPLNLGQSA-N 0 0 333.344 2.270 40 0 EEABRN CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038579 217179493 /nfs/dbraw/zinc/17/94/93/217179493.db2.gz IQPFOKVYXLBAFD-SKDRFNHKSA-N 0 0 348.262 2.450 40 0 EEABRN Cc1nc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cs1 ZINC000079048698 217181500 /nfs/dbraw/zinc/18/15/00/217181500.db2.gz MHXOCKNXYYWYFT-AWEZNQCLSA-N 0 0 341.396 2.284 40 0 EEABRN C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1SCCc2sccc21 ZINC000080244993 217290911 /nfs/dbraw/zinc/29/09/11/217290911.db2.gz NSGZBGZVZNLMMM-WFASDCNBSA-N 0 0 340.514 2.306 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000080741174 217329861 /nfs/dbraw/zinc/32/98/61/217329861.db2.gz FBKNVTVOKDQUEP-KSZLIROESA-N 0 0 342.443 2.270 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000081075367 217358477 /nfs/dbraw/zinc/35/84/77/217358477.db2.gz HHHROEJSBAPVFO-NSHDSACASA-N 0 0 335.429 2.321 40 0 EEABRN Cc1ccc(NC(=O)CN(C)C2CCS(=O)CC2)c(Cl)c1 ZINC000081099607 217362977 /nfs/dbraw/zinc/36/29/77/217362977.db2.gz BOUCOQZNVMUTOR-UHFFFAOYSA-N 0 0 328.865 2.430 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(CC(C)C)nn32)cc1 ZINC000014607201 211747135 /nfs/dbraw/zinc/74/71/35/211747135.db2.gz FTXBSPROJYBWDM-CYBMUJFWSA-N 0 0 327.388 2.307 40 0 EEABRN CCCc1nc([C@H](NC(=O)c2nccn2C)c2ccccc2)no1 ZINC000086167139 217690004 /nfs/dbraw/zinc/69/00/04/217690004.db2.gz UIEIMCABKWBUGM-CQSZACIVSA-N 0 0 325.372 2.275 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012239450 211328704 /nfs/dbraw/zinc/32/87/04/211328704.db2.gz RNUXUTGZWKRHPD-YPMHNXCESA-N 0 0 339.399 2.001 40 0 EEABRN CN(C(=O)c1ccncc1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146127 211306684 /nfs/dbraw/zinc/30/66/84/211306684.db2.gz FRZIIQKORKTYPX-UHFFFAOYSA-N 0 0 325.397 2.314 40 0 EEABRN CNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000010255895 211157708 /nfs/dbraw/zinc/15/77/08/211157708.db2.gz WORZSRYKTGYIKJ-MRXNPFEDSA-N 0 0 344.798 2.423 40 0 EEABRN CC(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1C ZINC000009064223 211037796 /nfs/dbraw/zinc/03/77/96/211037796.db2.gz RGFVJGDJTRISCW-UHFFFAOYSA-N 0 0 346.441 2.303 40 0 EEABRN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810778 211008002 /nfs/dbraw/zinc/00/80/02/211008002.db2.gz NYEBYSLTTPZOCZ-UHFFFAOYSA-N 0 0 326.324 2.125 40 0 EEABRN O=C(NCc1ccc(N2CCCCCC2)nc1)N[C@H](CCO)C1CC1 ZINC000095401080 218335672 /nfs/dbraw/zinc/33/56/72/218335672.db2.gz HZZFAYKJQQXXTD-QGZVFWFLSA-N 0 0 346.475 2.422 40 0 EEABRN O=C(NCC(F)(F)F)c1ccc(O[C@@H]2CCN(C3CC3)C2=O)cc1 ZINC000095407249 218343452 /nfs/dbraw/zinc/34/34/52/218343452.db2.gz RMFQJQKWLDLORF-CYBMUJFWSA-N 0 0 342.317 2.121 40 0 EEABRN Cn1c(CO)nnc1SCCOc1ccccc1Br ZINC000095453945 218397279 /nfs/dbraw/zinc/39/72/79/218397279.db2.gz XOLIEOCFMVHXII-UHFFFAOYSA-N 0 0 344.234 2.241 40 0 EEABRN Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000095453459 218397287 /nfs/dbraw/zinc/39/72/87/218397287.db2.gz OVWZXJPJFQQUAK-NSHDSACASA-N 0 0 349.435 2.060 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096039258 218521062 /nfs/dbraw/zinc/52/10/62/218521062.db2.gz CTRDGXSAMMAXDX-VQIMIIECSA-N 0 0 343.427 2.231 40 0 EEABRN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4cccs4)C[C@@H]32)n1 ZINC000096066374 218562185 /nfs/dbraw/zinc/56/21/85/218562185.db2.gz RXCGJHGLEKGKRA-RBSFLKMASA-N 0 0 347.440 2.403 40 0 EEABRN O=C(COC1CCCC1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107847 218600686 /nfs/dbraw/zinc/60/06/86/218600686.db2.gz XCTCIGSFPNJPMK-APWZRJJASA-N 0 0 346.427 2.180 40 0 EEABRN Cc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)cc1C ZINC000096130136 218616171 /nfs/dbraw/zinc/61/61/71/218616171.db2.gz ZAAVXWWEYUOEQE-OMRAMHMRSA-N 0 0 329.465 2.288 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096198059 218668314 /nfs/dbraw/zinc/66/83/14/218668314.db2.gz ODJBWHBTQIDSBT-HNNXBMFYSA-N 0 0 349.456 2.146 40 0 EEABRN c1cc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ccn1 ZINC000096220138 218695591 /nfs/dbraw/zinc/69/55/91/218695591.db2.gz KHPHOHDGCKKPMU-MRXNPFEDSA-N 0 0 325.416 2.045 40 0 EEABRN Cc1nc(C2(NC(=O)CCNC(=O)[C@H]3C[C@@H]3C)CCCCCC2)no1 ZINC000096402308 218750319 /nfs/dbraw/zinc/75/03/19/218750319.db2.gz POQUSKVNSKCBEL-JSGCOSHPSA-N 0 0 348.447 2.206 40 0 EEABRN CCc1ccccc1NC(=O)C(=O)NCC[S@](=O)c1ccccc1 ZINC000096409033 218761293 /nfs/dbraw/zinc/76/12/93/218761293.db2.gz JSJSUMPXCPEUKB-XMMPIXPASA-N 0 0 344.436 2.112 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)NCCCc2cnn(C)c2)C12CCCC2 ZINC000096439723 218819567 /nfs/dbraw/zinc/81/95/67/218819567.db2.gz XDRMOKAXRLRSKX-HOTGVXAUSA-N 0 0 334.464 2.390 40 0 EEABRN Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000096440648 218821594 /nfs/dbraw/zinc/82/15/94/218821594.db2.gz OYSIESSOYSTUIE-KBAYOESNSA-N 0 0 342.443 2.164 40 0 EEABRN C[C@H]1CS(=O)(=O)CCN1Cc1ccc(Br)c(F)c1 ZINC000096452021 218834855 /nfs/dbraw/zinc/83/48/55/218834855.db2.gz UFVSGBOCZZVMKP-VIFPVBQESA-N 0 0 336.226 2.207 40 0 EEABRN Cn1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)ccc1=O ZINC000096456468 218842268 /nfs/dbraw/zinc/84/22/68/218842268.db2.gz RAKBWVNRBRQSHX-SFHVURJKSA-N 0 0 340.423 2.249 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c(Cl)cc1F ZINC000096472779 218850131 /nfs/dbraw/zinc/85/01/31/218850131.db2.gz XRXHGNDWIGFPHW-SNVBAGLBSA-N 0 0 348.827 2.064 40 0 EEABRN Cc1cncc(C(=O)OCCCc2nc3nc(C)cc(C)n3n2)c1 ZINC000096481316 218857460 /nfs/dbraw/zinc/85/74/60/218857460.db2.gz AJEJGZLPTFBXHK-UHFFFAOYSA-N 0 0 325.372 2.234 40 0 EEABRN C[C@@H]1CN(C(=O)NCCCc2ccccn2)CCN1CC(F)(F)F ZINC000096485995 218862411 /nfs/dbraw/zinc/86/24/11/218862411.db2.gz YBIICKDWZXCSNB-CYBMUJFWSA-N 0 0 344.381 2.292 40 0 EEABRN O=C(CSc1nnc2c(n1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000005059950 210378396 /nfs/dbraw/zinc/37/83/96/210378396.db2.gz CNIQNYIJMZQGMC-UHFFFAOYSA-N 0 0 343.408 2.497 40 0 EEABRN COC(=O)COc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1 ZINC000005000747 210355992 /nfs/dbraw/zinc/35/59/92/210355992.db2.gz GPOJNIQHPKPTQB-UKTHLTGXSA-N 0 0 327.292 2.176 40 0 EEABRN Nc1c(C(=O)NCc2cccs2)nnn1-c1ccccc1Cl ZINC000004984969 210349535 /nfs/dbraw/zinc/34/95/35/210349535.db2.gz JPPIPQMGYUYRRF-UHFFFAOYSA-N 0 0 333.804 2.494 40 0 EEABRN CCn1c(SC)nnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000004932473 210327534 /nfs/dbraw/zinc/32/75/34/210327534.db2.gz RECVCZNYSUEZHG-CQSZACIVSA-N 0 0 345.472 2.364 40 0 EEABRN O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccccc1 ZINC000004904404 210318026 /nfs/dbraw/zinc/31/80/26/210318026.db2.gz JGMQGBUZCOZVCX-UHFFFAOYSA-N 0 0 348.453 2.295 40 0 EEABRN O[C@H](CN1CCN(Cc2nc3ccccc3s2)CC1)C(F)(F)F ZINC000097378148 219019497 /nfs/dbraw/zinc/01/94/97/219019497.db2.gz KUSGOUWMXXYUDZ-CYBMUJFWSA-N 0 0 345.390 2.337 40 0 EEABRN CCc1ccc([C@H]2C(C(=O)N(CC)CC)=C(C)Nc3nnnn32)cc1 ZINC000004784563 210277650 /nfs/dbraw/zinc/27/76/50/210277650.db2.gz BNVZQCLFPBWIGI-INIZCTEOSA-N 0 0 340.431 2.393 40 0 EEABRN CN1C[C@H]2N(C(=O)c3ccno3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306141883 257924872 /nfs/dbraw/zinc/92/48/72/257924872.db2.gz WIYLBMPVAMXKTN-VQIMIIECSA-N 0 0 339.395 2.079 40 0 EEABRN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000279332538 257988039 /nfs/dbraw/zinc/98/80/39/257988039.db2.gz AWOHRSNXVHWAGR-SCLBCKFNSA-N 0 0 348.830 2.439 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)N2c3ccccc3CCCC2=O)n(C)n1 ZINC000227169106 291961959 /nfs/dbraw/zinc/96/19/59/291961959.db2.gz UUZUHGIQKOQYRK-ZDUSSCGKSA-N 0 0 326.400 2.425 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=S)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000035587846 132390048 /nfs/dbraw/zinc/39/00/48/132390048.db2.gz FPTBIQWATQVRSL-YWPYICTPSA-N 0 0 333.457 2.193 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1Cc1cccc(C)c1 ZINC000096111189 286056642 /nfs/dbraw/zinc/05/66/42/286056642.db2.gz XIDSSGGKYATAPG-WMZOPIPTSA-N 0 0 327.428 2.448 40 0 EEABRN CCNC(=S)Nc1ncc(Br)nc1Br ZINC000223867547 276419718 /nfs/dbraw/zinc/41/97/18/276419718.db2.gz JBHYWNORQUEKKS-UHFFFAOYSA-N 0 0 340.044 2.308 40 0 EEABRN CCn1c(Cl)c(C=O)s/c1=N/S(=O)(=O)c1ccccc1 ZINC000100837795 276711324 /nfs/dbraw/zinc/71/13/24/276711324.db2.gz ROQKRUGZHJUJIL-WYMLVPIESA-N 0 0 330.818 2.325 40 0 EEABRN Cc1ccc(N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000097953518 278835019 /nfs/dbraw/zinc/83/50/19/278835019.db2.gz KQKYGDBHTJMKGQ-LXZKKBNFSA-N 0 0 342.399 2.110 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccccn1)CC2 ZINC000096254653 279089528 /nfs/dbraw/zinc/08/95/28/279089528.db2.gz CENDIRUQWQGJRW-UHFFFAOYSA-N 0 0 337.427 2.021 40 0 EEABRN CC[C@](Br)([C@H](O)c1ccc(F)cc1)S(C)(=O)=O ZINC000096521529 288382515 /nfs/dbraw/zinc/38/25/15/288382515.db2.gz VUAVNUCHXGQAMH-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN Cc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257229992 301092467 /nfs/dbraw/zinc/09/24/67/301092467.db2.gz GAGIJPBWRGJXPB-ZDUSSCGKSA-N 0 0 327.344 2.099 40 0 EEABRN O=C(NCc1nc(CO)cs1)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000530264663 317706607 /nfs/dbraw/zinc/70/66/07/317706607.db2.gz CBULOADAZRSBOY-LBPRGKRZSA-N 0 0 340.351 2.352 40 0 EEABRN COC(=O)CC1(CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC000575419663 320105286 /nfs/dbraw/zinc/10/52/86/320105286.db2.gz NHPUAJSCOLMQHI-UHFFFAOYSA-N 0 0 345.443 2.488 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](CO)Cc1ccccc1C ZINC000195467389 323512483 /nfs/dbraw/zinc/51/24/83/323512483.db2.gz RLMGSYSBUMWYAY-MRXNPFEDSA-N 0 0 349.452 2.194 40 0 EEABRN COc1ccc(C2=NN(C(=O)C3CC3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000000331038 462554540 /nfs/dbraw/zinc/55/45/40/462554540.db2.gz ISLHXKDYZXQBNN-AWEZNQCLSA-N 0 0 328.290 2.293 40 0 EEABRN CC(C)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C ZINC000000410901 462559534 /nfs/dbraw/zinc/55/95/34/462559534.db2.gz DFKHTKHFZZNZLW-UHFFFAOYSA-N 0 0 334.401 2.398 40 0 EEABRN COc1ccc(-n2nnnc2SCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000000415617 462560388 /nfs/dbraw/zinc/56/03/88/462560388.db2.gz OJNPOYDJWMSVOE-GFCCVEGCSA-N 0 0 347.444 2.022 40 0 EEABRN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccn(-c2ccccc2)n1 ZINC000086058719 462564606 /nfs/dbraw/zinc/56/46/06/462564606.db2.gz JHIOOGRPDLVPFX-ZDUSSCGKSA-N 0 0 325.368 2.040 40 0 EEABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)CC)cc1 ZINC000000514845 462568120 /nfs/dbraw/zinc/56/81/20/462568120.db2.gz QHWHJOQJIMGYJN-UHFFFAOYSA-N 0 0 338.458 2.133 40 0 EEABRN CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CC)cc4)C(=O)[C@@H]13)O2 ZINC000000546112 462570262 /nfs/dbraw/zinc/57/02/62/462570262.db2.gz MKUCCCRVUNKAPY-GGXPGOJBSA-N 0 0 327.380 2.099 40 0 EEABRN CN(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000000905284 462575144 /nfs/dbraw/zinc/57/51/44/462575144.db2.gz SXYWRXCOSQYIOX-UHFFFAOYSA-N 0 0 332.385 2.360 40 0 EEABRN O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000001238097 462577683 /nfs/dbraw/zinc/57/76/83/462577683.db2.gz PELMKORNUVFZLN-UHFFFAOYSA-N 0 0 347.400 2.248 40 0 EEABRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1=NCCS1 ZINC000002777595 462601839 /nfs/dbraw/zinc/60/18/39/462601839.db2.gz LQIVQQJYEWTWKX-UHFFFAOYSA-N 0 0 326.731 2.083 40 0 EEABRN COc1ccc(OCCNC(=O)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000062094075 462609252 /nfs/dbraw/zinc/60/92/52/462609252.db2.gz QTKSXLAZHOGKOO-GOSISDBHSA-N 0 0 328.412 2.493 40 0 EEABRN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871867 462627359 /nfs/dbraw/zinc/62/73/59/462627359.db2.gz GNVKUMBKIWQWEI-JTQLQIEISA-N 0 0 333.417 2.123 40 0 EEABRN CCCCn1ncc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c1C ZINC000089273356 462661112 /nfs/dbraw/zinc/66/11/12/462661112.db2.gz MBAFVKAJRSBFLK-INIZCTEOSA-N 0 0 349.479 2.320 40 0 EEABRN COC(=O)C1=C(N)C(=C(O)c2cc(Cl)ccc2Cl)NC1=S ZINC000006564882 462691268 /nfs/dbraw/zinc/69/12/68/462691268.db2.gz IEVZVCGRZSTWFY-JTQLQIEISA-N 0 0 345.207 2.482 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006596957 462692246 /nfs/dbraw/zinc/69/22/46/462692246.db2.gz YYJZCPQNPYRVJV-UHFFFAOYSA-N 0 0 332.853 2.412 40 0 EEABRN COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000090608604 462802902 /nfs/dbraw/zinc/80/29/02/462802902.db2.gz ISQJAEHIMIOPSA-HNNXBMFYSA-N 0 0 345.376 2.389 40 0 EEABRN CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccco2)CC3)CC1 ZINC000012240109 462848268 /nfs/dbraw/zinc/84/82/68/462848268.db2.gz YUYHTRPVGIIOIB-UHFFFAOYSA-N 0 0 328.416 2.158 40 0 EEABRN CC(=O)N1CCN(c2c(C)c(C)nc3cc(-c4ccco4)nn32)CC1 ZINC000012743608 462865862 /nfs/dbraw/zinc/86/58/62/462865862.db2.gz VVWIDQKVPAQULU-UHFFFAOYSA-N 0 0 339.399 2.275 40 0 EEABRN Cc1noc(-c2cnc(C)nc2CCNC(=O)c2ccncc2)c1C ZINC000012747712 462865941 /nfs/dbraw/zinc/86/59/41/462865941.db2.gz QBPCDJDYLZIKDJ-UHFFFAOYSA-N 0 0 337.383 2.424 40 0 EEABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCCCCC1 ZINC000013582934 462897200 /nfs/dbraw/zinc/89/72/00/462897200.db2.gz JTLGZOFEIGAQJE-UHFFFAOYSA-N 0 0 340.445 2.107 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)nc1C ZINC000014607453 462929516 /nfs/dbraw/zinc/92/95/16/462929516.db2.gz LEZAJRGLJGAPGV-UHFFFAOYSA-N 0 0 344.390 2.427 40 0 EEABRN CNc1snc(C)c1C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 ZINC000155736332 462934939 /nfs/dbraw/zinc/93/49/39/462934939.db2.gz XQVVBAZWLQLNMN-ZDUSSCGKSA-N 0 0 345.472 2.407 40 0 EEABRN O=C(CCn1cncn1)N1CCCc2cc(Br)ccc21 ZINC000048811051 462940307 /nfs/dbraw/zinc/94/03/07/462940307.db2.gz YHAZFBQUHTUXCJ-UHFFFAOYSA-N 0 0 335.205 2.410 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3ccc(C)c(C)c3)c(=O)c2cc1OC ZINC000015424559 462952852 /nfs/dbraw/zinc/95/28/52/462952852.db2.gz WETJRVPRSFVQIU-UHFFFAOYSA-N 0 0 340.383 2.305 40 0 EEABRN Cc1nc2ncnn2c(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)c1C ZINC000077225092 462955870 /nfs/dbraw/zinc/95/58/70/462955870.db2.gz QLHSZODQECPPCU-UONOGXRCSA-N 0 0 330.436 2.236 40 0 EEABRN CCOC(=O)[C@@H](CSCSC)NC(=O)/C=C\c1cccnc1 ZINC000017005508 462992730 /nfs/dbraw/zinc/99/27/30/462992730.db2.gz JMJOGQHCDXTJHJ-FMFIFOJESA-N 0 0 340.470 2.196 40 0 EEABRN Cc1nc(C)n(CC(=O)N2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000019285706 463015425 /nfs/dbraw/zinc/01/54/25/463015425.db2.gz WNZAEFMMLQDQGX-UHFFFAOYSA-N 0 0 332.379 2.104 40 0 EEABRN COc1cccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000020112066 463024304 /nfs/dbraw/zinc/02/43/04/463024304.db2.gz JLTNGWSVLWFSQQ-LBPRGKRZSA-N 0 0 326.352 2.448 40 0 EEABRN CC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000156482124 463030303 /nfs/dbraw/zinc/03/03/03/463030303.db2.gz DSRDEWJCFZISLM-FZMZJTMJSA-N 0 0 330.306 2.243 40 0 EEABRN NS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1 ZINC000022651952 463052729 /nfs/dbraw/zinc/05/27/29/463052729.db2.gz VQXYIZRIDXNNLW-UHFFFAOYSA-N 0 0 336.457 2.273 40 0 EEABRN CCc1cccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c1 ZINC000077842410 463061095 /nfs/dbraw/zinc/06/10/95/463061095.db2.gz FEAOLWYAANWMRA-UHFFFAOYSA-N 0 0 330.388 2.053 40 0 EEABRN CCc1nncn1CCNC(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000095459994 463089569 /nfs/dbraw/zinc/08/95/69/463089569.db2.gz QZMZOFUBEREZHH-LJQANCHMSA-N 0 0 341.459 2.434 40 0 EEABRN C[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000095947170 463112048 /nfs/dbraw/zinc/11/20/48/463112048.db2.gz HJZXIPPVSVKGIM-AWEZNQCLSA-N 0 0 339.395 2.465 40 0 EEABRN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000025318443 463118910 /nfs/dbraw/zinc/11/89/10/463118910.db2.gz FKZASCPASYZYAZ-NSHDSACASA-N 0 0 337.228 2.356 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096039051 463143539 /nfs/dbraw/zinc/14/35/39/463143539.db2.gz ABXARPASTHKIKJ-DLBZAZTESA-N 0 0 339.457 2.201 40 0 EEABRN Cc1cc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)c(C)[nH]1 ZINC000096042300 463147972 /nfs/dbraw/zinc/14/79/72/463147972.db2.gz ZAQZYWSFZMLRGT-XYJFISCASA-N 0 0 341.411 2.478 40 0 EEABRN Cn1ncc2c1CN(C(=O)C1=CCCC1)C[C@@H]2COc1cccnc1 ZINC000096044673 463149501 /nfs/dbraw/zinc/14/95/01/463149501.db2.gz WKENQFKUIIZKFQ-OAHLLOKOSA-N 0 0 338.411 2.430 40 0 EEABRN Cc1ccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2nccs2)C3)nn1 ZINC000096048450 463151738 /nfs/dbraw/zinc/15/17/38/463151738.db2.gz WRMQNZQVDWCEFL-RHSMWYFYSA-N 0 0 345.472 2.477 40 0 EEABRN Cn1cc(N2CCC[C@@H](N3CCO[C@H](c4cccs4)C3)C2=O)cn1 ZINC000157698353 463159173 /nfs/dbraw/zinc/15/91/73/463159173.db2.gz KCUYFKCBCYFJIG-CABCVRRESA-N 0 0 346.456 2.051 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccoc1)C2 ZINC000096060761 463161108 /nfs/dbraw/zinc/16/11/08/463161108.db2.gz PLVFQNCJRDZPSA-HNNXBMFYSA-N 0 0 339.399 2.119 40 0 EEABRN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3c2ncccn2)cs1 ZINC000096065817 463164462 /nfs/dbraw/zinc/16/44/62/463164462.db2.gz JPUARCRWOIHXGZ-RRFJBIMHSA-N 0 0 332.429 2.195 40 0 EEABRN O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1nccs1)CC2 ZINC000096069566 463165328 /nfs/dbraw/zinc/16/53/28/463165328.db2.gz JFCHPOWIJRWFHL-AWEZNQCLSA-N 0 0 328.441 2.176 40 0 EEABRN CO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cccnc1 ZINC000096069828 463165427 /nfs/dbraw/zinc/16/54/27/463165427.db2.gz DYLNNHLGSRDEEC-UONOGXRCSA-N 0 0 338.454 2.164 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096069648 463165574 /nfs/dbraw/zinc/16/55/74/463165574.db2.gz XKYBDVINRBLZLO-OAHLLOKOSA-N 0 0 339.395 2.262 40 0 EEABRN Cc1nc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)cs1 ZINC000096069763 463166320 /nfs/dbraw/zinc/16/63/20/463166320.db2.gz WHLFNGJGMZWGQS-MRXNPFEDSA-N 0 0 342.468 2.485 40 0 EEABRN CN(C)c1ncnc2c1CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000096084016 463170566 /nfs/dbraw/zinc/17/05/66/463170566.db2.gz HVMGLYJCADJTTI-UHFFFAOYSA-N 0 0 347.422 2.332 40 0 EEABRN c1ccc(OC[C@@H]2CC3(CO2)CCN(c2ncccn2)CC3)nc1 ZINC000096106208 463174165 /nfs/dbraw/zinc/17/41/65/463174165.db2.gz GCNBFEPRUJGDNR-HNNXBMFYSA-N 0 0 326.400 2.326 40 0 EEABRN O=C(N[C@H]1CCC[C@@H]1Oc1ccccc1)c1ccnc(-n2cncn2)c1 ZINC000079033038 463181793 /nfs/dbraw/zinc/18/17/93/463181793.db2.gz XPJUTAWXCTXUAM-IRXDYDNUSA-N 0 0 349.394 2.392 40 0 EEABRN c1csc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)n1 ZINC000096158795 463188699 /nfs/dbraw/zinc/18/86/99/463188699.db2.gz PWOWPIGRYPCSLP-UHFFFAOYSA-N 0 0 344.484 2.405 40 0 EEABRN CCc1cnc(N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)nc1 ZINC000096161786 463192454 /nfs/dbraw/zinc/19/24/54/463192454.db2.gz UHCQIPLLZXGTAL-GASCZTMLSA-N 0 0 328.441 2.309 40 0 EEABRN O=S(=O)(NCCc1cscn1)c1cccc2c1N=S=N2 ZINC000158028265 463198463 /nfs/dbraw/zinc/19/84/63/463198463.db2.gz LFQVESUURDQGKM-UHFFFAOYSA-N 0 0 326.428 2.391 40 0 EEABRN Cc1cncc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1 ZINC000096187195 463198561 /nfs/dbraw/zinc/19/85/61/463198561.db2.gz RONPYBZMWKNTRU-RYRKJORJSA-N 0 0 339.395 2.236 40 0 EEABRN C[C@@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)Cc1cccs1 ZINC000096201262 463205614 /nfs/dbraw/zinc/20/56/14/463205614.db2.gz IHRLHNHJZVAGQG-CYBMUJFWSA-N 0 0 341.440 2.335 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C)o3)C2)s1 ZINC000096206645 463207971 /nfs/dbraw/zinc/20/79/71/463207971.db2.gz SOBMASBPHZKGEG-MCIONIFRSA-N 0 0 347.440 2.468 40 0 EEABRN O=C(CC1CC1)N1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244124 463225470 /nfs/dbraw/zinc/22/54/70/463225470.db2.gz ZIVHQFNJLGWMBG-LJQANCHMSA-N 0 0 342.443 2.099 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096248823 463227199 /nfs/dbraw/zinc/22/71/99/463227199.db2.gz GMFFDQFRNVZYRM-CVEARBPZSA-N 0 0 347.440 2.078 40 0 EEABRN Cc1cccc(CN2C[C@@H]3C[C@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000096249238 463227412 /nfs/dbraw/zinc/22/74/12/463227412.db2.gz LHTUSJUULCRNKZ-BBRMVZONSA-N 0 0 349.481 2.004 40 0 EEABRN COc1ccc(CNC(=O)[C@@H]2CCC(=O)NC2)cc1OC1CCCC1 ZINC000096403920 463237931 /nfs/dbraw/zinc/23/79/31/463237931.db2.gz SROVDMMRZNSOBW-CQSZACIVSA-N 0 0 346.427 2.159 40 0 EEABRN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@H]1CCCC[C@H]1O ZINC000096404029 463238083 /nfs/dbraw/zinc/23/80/83/463238083.db2.gz HRWYEEPGYZXKHF-DLBZAZTESA-N 0 0 345.443 2.306 40 0 EEABRN CNC(=O)C(C)(C)CNC(=O)Nc1ncc(C)cc1Br ZINC000158543714 463240330 /nfs/dbraw/zinc/24/03/30/463240330.db2.gz JHDZCXJYISUSTF-UHFFFAOYSA-N 0 0 343.225 2.046 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N(C)C[C@@H](C)c1ccccc1 ZINC000096408664 463241773 /nfs/dbraw/zinc/24/17/73/463241773.db2.gz SLPMZXNWYKIZBK-CYBMUJFWSA-N 0 0 339.399 2.239 40 0 EEABRN CC(C)[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccccc1 ZINC000096417628 463248891 /nfs/dbraw/zinc/24/88/91/463248891.db2.gz SIPIXBHKYYLADY-ZBFHGGJFSA-N 0 0 338.473 2.255 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000096418268 463250300 /nfs/dbraw/zinc/25/03/00/463250300.db2.gz FSRCGZATULORIX-JCGIZDLHSA-N 0 0 344.455 2.277 40 0 EEABRN O=C(NCCc1ccsc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420475 463252149 /nfs/dbraw/zinc/25/21/49/463252149.db2.gz GFWLMIBJZVUCIJ-KRWDZBQOSA-N 0 0 330.453 2.308 40 0 EEABRN Cc1ccc(N2CC[C@H](C(=O)NCc3ccccc3CO)C2=O)cc1 ZINC000096421673 463253017 /nfs/dbraw/zinc/25/30/17/463253017.db2.gz BAEUVSHOMCYZID-GOSISDBHSA-N 0 0 338.407 2.157 40 0 EEABRN C[C@H](NC(=O)c1nccn1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096421361 463253084 /nfs/dbraw/zinc/25/30/84/463253084.db2.gz JWKBQAATLXWYSA-LBPRGKRZSA-N 0 0 346.406 2.011 40 0 EEABRN CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)C(C)(C)C)cc1 ZINC000096423709 463254286 /nfs/dbraw/zinc/25/42/86/463254286.db2.gz VDCRVLWJUKFDGP-LBPRGKRZSA-N 0 0 326.462 2.290 40 0 EEABRN Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)on1 ZINC000096425843 463255281 /nfs/dbraw/zinc/25/52/81/463255281.db2.gz HDHANAWDKBXJOA-SECBINFHSA-N 0 0 326.349 2.017 40 0 EEABRN O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)Nc1nncs1 ZINC000096424355 463255413 /nfs/dbraw/zinc/25/54/13/463255413.db2.gz PORGACZPDOMHEW-UHFFFAOYSA-N 0 0 342.428 2.233 40 0 EEABRN O=C(NCc1nc(-c2cccs2)n[nH]1)[C@@H]1Cc2cccc(F)c2O1 ZINC000096426460 463256196 /nfs/dbraw/zinc/25/61/96/463256196.db2.gz HYXDTOLCZOJHEM-NSHDSACASA-N 0 0 344.371 2.292 40 0 EEABRN C[C@@H](Nc1nccn(C)c1=O)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096429442 463259583 /nfs/dbraw/zinc/25/95/83/463259583.db2.gz RBDQFCPXGQEHGP-GFCCVEGCSA-N 0 0 346.406 2.054 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCCO2)cc1 ZINC000096430723 463260245 /nfs/dbraw/zinc/26/02/45/463260245.db2.gz IXUGUJYSRLVIFI-IRXDYDNUSA-N 0 0 330.428 2.171 40 0 EEABRN Nn1c(SCc2noc3c2CCCC3)nnc1[C@@H]1CCCCO1 ZINC000096436707 463265006 /nfs/dbraw/zinc/26/50/06/463265006.db2.gz SFILGZHQLUZSQV-ZDUSSCGKSA-N 0 0 335.433 2.393 40 0 EEABRN O=C(NC[C@H](O)c1cccs1)c1cc(N2CCCC2=O)ccc1F ZINC000096437197 463265164 /nfs/dbraw/zinc/26/51/64/463265164.db2.gz VCGQLEYLLBUXOD-AWEZNQCLSA-N 0 0 348.399 2.477 40 0 EEABRN Cc1nc2ccc(NC(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2s1 ZINC000069516108 463265288 /nfs/dbraw/zinc/26/52/88/463265288.db2.gz BVKDPIMAJAHJFD-JTQLQIEISA-N 0 0 339.442 2.161 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)S1 ZINC000096443747 463268560 /nfs/dbraw/zinc/26/85/60/463268560.db2.gz MMYTZHMNMDYIHE-JTQLQIEISA-N 0 0 336.486 2.270 40 0 EEABRN CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)/C=C/c1ccccc1 ZINC000096453024 463274084 /nfs/dbraw/zinc/27/40/84/463274084.db2.gz XXPQMOJWXFELSN-ZHACJKMWSA-N 0 0 332.429 2.125 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000096454196 463274568 /nfs/dbraw/zinc/27/45/68/463274568.db2.gz MGTMSLZLLSMZCO-OAHLLOKOSA-N 0 0 344.502 2.377 40 0 EEABRN Cc1ccc(CCNC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)cn1 ZINC000096455068 463275140 /nfs/dbraw/zinc/27/51/40/463275140.db2.gz BFMJIACAMGNXGW-ZDUSSCGKSA-N 0 0 344.381 2.211 40 0 EEABRN Cc1cc(S(=O)(=O)NCCCc2cnn(C)c2)c(Cl)cc1F ZINC000096472557 463279055 /nfs/dbraw/zinc/27/90/55/463279055.db2.gz WDDWNRUXVVBTAB-UHFFFAOYSA-N 0 0 345.827 2.432 40 0 EEABRN O=S(=O)(CC[C@@H]1CCCO1)NCc1ncc(-c2ccccc2)o1 ZINC000096472413 463279260 /nfs/dbraw/zinc/27/92/60/463279260.db2.gz ZAGHXYBRBJJUTQ-AWEZNQCLSA-N 0 0 336.413 2.330 40 0 EEABRN COc1ccc(Br)c(CC(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000096481537 463281148 /nfs/dbraw/zinc/28/11/48/463281148.db2.gz NWORLDMWVBPUES-IINYFYTJSA-N 0 0 342.233 2.277 40 0 EEABRN Cc1ccc(C)c(C(=O)NC2CCC(N3C(=O)CCC3=O)CC2)c1 ZINC000096484978 463283844 /nfs/dbraw/zinc/28/38/44/463283844.db2.gz ZNZUAYFVWKYTDB-UHFFFAOYSA-N 0 0 328.412 2.493 40 0 EEABRN CN(C)c1nc(CNS(=O)(=O)Cc2c(F)cccc2F)cs1 ZINC000096487645 463285565 /nfs/dbraw/zinc/28/55/65/463285565.db2.gz PKXSDUUFYRJSRL-UHFFFAOYSA-N 0 0 347.412 2.107 40 0 EEABRN CCc1cnc([C@@H](C)NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000096500353 463290353 /nfs/dbraw/zinc/29/03/53/463290353.db2.gz UFANMVIGPOKNJQ-GHMZBOCLSA-N 0 0 336.461 2.077 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096503297 463292481 /nfs/dbraw/zinc/29/24/81/463292481.db2.gz WAHMZKDKUXCPMP-XVSSEFHLSA-N 0 0 338.370 2.289 40 0 EEABRN CC[C@@](Br)([C@H](O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096521636 463293772 /nfs/dbraw/zinc/29/37/72/463293772.db2.gz BMVMCAWHLFIUJU-NEPJUHHUSA-N 0 0 336.251 2.238 40 0 EEABRN Cc1cccc([C@@H](O)[C@@](Cl)(Br)S(C)(=O)=O)c1 ZINC000096519782 463293954 /nfs/dbraw/zinc/29/39/54/463293954.db2.gz HJGQJEFVTVSBBN-ZJUUUORDSA-N 0 0 327.627 2.361 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000137618096 463298521 /nfs/dbraw/zinc/29/85/21/463298521.db2.gz XSYLXINJFSRNFR-UHFFFAOYSA-N 0 0 340.351 2.370 40 0 EEABRN NC(=O)c1cc(N2CCC(OCCc3ccccc3)CC2)ccn1 ZINC000097095871 463321124 /nfs/dbraw/zinc/32/11/24/463321124.db2.gz RQLSFROSGAEGFL-UHFFFAOYSA-N 0 0 325.412 2.409 40 0 EEABRN COc1cc(C(=O)Nc2nc(C)nn2C)sc1Br ZINC000097374370 463356416 /nfs/dbraw/zinc/35/64/16/463356416.db2.gz BTCSUQMQGAQGKI-UHFFFAOYSA-N 0 0 331.195 2.208 40 0 EEABRN O=C(CN1CC(c2nc(C3CC3)no2)C1)N1CCCc2ccccc21 ZINC000070636969 463377726 /nfs/dbraw/zinc/37/77/26/463377726.db2.gz LLIVZXZPAYRAMM-UHFFFAOYSA-N 0 0 338.411 2.326 40 0 EEABRN COc1ccc(CCNC(=O)N2CC(c3nc(C4CC4)no3)C2)cc1 ZINC000070637039 463377759 /nfs/dbraw/zinc/37/77/59/463377759.db2.gz XKNOJAJRDQXZFS-UHFFFAOYSA-N 0 0 342.399 2.307 40 0 EEABRN CC[C@H](O)CN1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161759896 463454845 /nfs/dbraw/zinc/45/48/45/463454845.db2.gz FBBWSUKKTDUOID-KRWDZBQOSA-N 0 0 327.428 2.072 40 0 EEABRN NC(=O)[C@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000040488154 463456768 /nfs/dbraw/zinc/45/67/68/463456768.db2.gz ZQJFCJLJACFSRE-AWEZNQCLSA-N 0 0 333.395 2.394 40 0 EEABRN O=C(Cn1c(=O)cnc2ccccc21)NCC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000071929875 463477156 /nfs/dbraw/zinc/47/71/56/463477156.db2.gz LEVLZGQYQFCPTG-ZNMIVQPWSA-N 0 0 325.412 2.339 40 0 EEABRN COC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2s1 ZINC000072207253 463482512 /nfs/dbraw/zinc/48/25/12/463482512.db2.gz MTQBRQFBHSREPL-QWHCGFSZSA-N 0 0 337.353 2.005 40 0 EEABRN O=C(CNC(=O)c1ccc(N2CCCCC2)cc1)Nc1cccnc1 ZINC000081938711 463506165 /nfs/dbraw/zinc/50/61/65/463506165.db2.gz VPDWAZMYIAGQBP-UHFFFAOYSA-N 0 0 338.411 2.440 40 0 EEABRN O=C(c1ccsc1)N1CCC2(CCN(c3cncnc3)C2=O)CC1 ZINC000107191329 463561000 /nfs/dbraw/zinc/56/10/00/463561000.db2.gz XWIWQCIUZLXBHC-UHFFFAOYSA-N 0 0 342.424 2.197 40 0 EEABRN CCCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107771390 463581819 /nfs/dbraw/zinc/58/18/19/463581819.db2.gz MYXDDRMWTGHBJK-CVEARBPZSA-N 0 0 331.478 2.024 40 0 EEABRN COc1ccccc1CNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000058467246 463602247 /nfs/dbraw/zinc/60/22/47/463602247.db2.gz YRUMOFYWKSPSOM-CQSZACIVSA-N 0 0 328.368 2.334 40 0 EEABRN CSCC(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 ZINC000108528600 463610023 /nfs/dbraw/zinc/61/00/23/463610023.db2.gz KCMDIICLELHUOZ-UHFFFAOYSA-N 0 0 347.484 2.176 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108531546 463610046 /nfs/dbraw/zinc/61/00/46/463610046.db2.gz IZQAOADKGMJATQ-WBVHZDCISA-N 0 0 341.455 2.469 40 0 EEABRN C[C@H]1CCCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000084697674 463623975 /nfs/dbraw/zinc/62/39/75/463623975.db2.gz RCFNKBQXOSPCHT-XJKSGUPXSA-N 0 0 328.412 2.154 40 0 EEABRN Cc1sc2ccccc2c1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000084938515 463637952 /nfs/dbraw/zinc/63/79/52/463637952.db2.gz GVSLWJPBWAJASF-LLVKDONJSA-N 0 0 338.454 2.109 40 0 EEABRN COc1cccc(NC(=O)C(=O)NCCOc2ccc(C)c(C)c2)c1 ZINC000059417393 463642840 /nfs/dbraw/zinc/64/28/40/463642840.db2.gz QNJUOSNZKAPZHA-UHFFFAOYSA-N 0 0 342.395 2.446 40 0 EEABRN O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1cnn2c1CCCC2 ZINC000165507916 463644074 /nfs/dbraw/zinc/64/40/74/463644074.db2.gz YAVAYXYJGLUCIU-CQSZACIVSA-N 0 0 337.782 2.475 40 0 EEABRN Cn1ccnc1[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccccc1 ZINC000044890760 463698472 /nfs/dbraw/zinc/69/84/72/463698472.db2.gz KBSVBLPIZMKOOZ-MRXNPFEDSA-N 0 0 332.367 2.211 40 0 EEABRN CCN1C(=O)CCc2cc(S(=O)(=O)NCCc3ccco3)ccc21 ZINC000257173650 463756450 /nfs/dbraw/zinc/75/64/50/463756450.db2.gz UHJOUDVFCPVMAT-UHFFFAOYSA-N 0 0 348.424 2.100 40 0 EEABRN O=C(c1cccc(=O)[nH]1)N1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257261982 463757668 /nfs/dbraw/zinc/75/76/68/463757668.db2.gz LJNNYNQCQBEEBQ-IVMMDQJWSA-N 0 0 325.368 2.112 40 0 EEABRN CNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ccccn2)C1 ZINC000257287851 463763225 /nfs/dbraw/zinc/76/32/25/463763225.db2.gz PRTALBYBSIHCNT-LJQANCHMSA-N 0 0 339.443 2.227 40 0 EEABRN O=C(c1cccn(Cc2ccccc2F)c1=O)N1CCC[C@@H](O)CC1 ZINC000257287735 463763584 /nfs/dbraw/zinc/76/35/84/463763584.db2.gz PRGYDKFTIDRPEH-OAHLLOKOSA-N 0 0 344.386 2.023 40 0 EEABRN O=c1cc(C[C@H]2COCCN(Cc3c(F)cccc3F)C2)nc[nH]1 ZINC000257289248 463763627 /nfs/dbraw/zinc/76/36/27/463763627.db2.gz PXSSLRDSCNFTIZ-GFCCVEGCSA-N 0 0 335.354 2.152 40 0 EEABRN Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257290230 463765107 /nfs/dbraw/zinc/76/51/07/463765107.db2.gz QCCKEJRDHGFTJX-OAHLLOKOSA-N 0 0 349.460 2.326 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)CCn2nccc2C)CCN1C ZINC000257295041 463766243 /nfs/dbraw/zinc/76/62/43/463766243.db2.gz QWRIEYAHIBJOAC-QGZVFWFLSA-N 0 0 342.443 2.106 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)n1 ZINC000257293486 463766266 /nfs/dbraw/zinc/76/62/66/463766266.db2.gz QPQMQYOEVIJDBF-LBPRGKRZSA-N 0 0 337.811 2.192 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257297017 463766568 /nfs/dbraw/zinc/76/65/68/463766568.db2.gz RFKCSCFUPKGQAE-MRXNPFEDSA-N 0 0 341.459 2.448 40 0 EEABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 ZINC000257296187 463767009 /nfs/dbraw/zinc/76/70/09/463767009.db2.gz RBPQEYPATNLVEY-MRXNPFEDSA-N 0 0 348.410 2.304 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257302217 463769435 /nfs/dbraw/zinc/76/94/35/463769435.db2.gz SBZHTJHRNZRWOQ-INIZCTEOSA-N 0 0 341.459 2.400 40 0 EEABRN O=C(CC1(O)CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257308975 463771439 /nfs/dbraw/zinc/77/14/39/463771439.db2.gz TYZAXHNSVXJISI-UHFFFAOYSA-N 0 0 344.459 2.355 40 0 EEABRN Cc1csc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ccn2)n1 ZINC000257314371 463773981 /nfs/dbraw/zinc/77/39/81/463773981.db2.gz UWQUJDLEOOGMRC-CYBMUJFWSA-N 0 0 337.470 2.338 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 ZINC000257318190 463774949 /nfs/dbraw/zinc/77/49/49/463774949.db2.gz VMWHDFZZFBNJCR-OAHLLOKOSA-N 0 0 329.448 2.407 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H](Cc3ccccn3)C2)n1 ZINC000257327447 463779564 /nfs/dbraw/zinc/77/95/64/463779564.db2.gz XBKKAFBKJTZPHT-AWEZNQCLSA-N 0 0 328.416 2.441 40 0 EEABRN Cc1nc([C@H]2CCCN2S(=O)(=O)C2CCCC2)cc(N(C)C)n1 ZINC000257331106 463781546 /nfs/dbraw/zinc/78/15/46/463781546.db2.gz XRJHSOFXQYXJLE-OAHLLOKOSA-N 0 0 338.477 2.260 40 0 EEABRN CC(C)c1cc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cs1 ZINC000257334983 463782037 /nfs/dbraw/zinc/78/20/37/463782037.db2.gz YICGQDQZGMRSPU-QGZVFWFLSA-N 0 0 346.456 2.033 40 0 EEABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257335483 463783075 /nfs/dbraw/zinc/78/30/75/463783075.db2.gz YKIDWCAEOLWTHP-MRXNPFEDSA-N 0 0 343.427 2.028 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)n1 ZINC000257339004 463784841 /nfs/dbraw/zinc/78/48/41/463784841.db2.gz YZVBNLKWVGPASD-MRXNPFEDSA-N 0 0 327.432 2.325 40 0 EEABRN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C(F)F ZINC000194527059 463878865 /nfs/dbraw/zinc/87/88/65/463878865.db2.gz PFJWDPOSRHCEIE-UHFFFAOYSA-N 0 0 340.351 2.369 40 0 EEABRN Cc1cc(C)n2nc(S(=O)(=O)Cc3cccc(Cl)c3)nc2n1 ZINC000195092879 463988375 /nfs/dbraw/zinc/98/83/75/463988375.db2.gz AGJGYGKQKDPWOJ-UHFFFAOYSA-N 0 0 336.804 2.368 40 0 EEABRN Cc1ncc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c(C)n1 ZINC000186438638 464000767 /nfs/dbraw/zinc/00/07/67/464000767.db2.gz OKOJPUPHHXLDKB-UHFFFAOYSA-N 0 0 347.365 2.495 40 0 EEABRN CCCc1nc(CS(=O)(=O)c2nnc(C(F)F)n2C)cs1 ZINC000195227130 464020875 /nfs/dbraw/zinc/02/08/75/464020875.db2.gz FPVREXACVTUTTE-UHFFFAOYSA-N 0 0 336.389 2.136 40 0 EEABRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000195536677 464073040 /nfs/dbraw/zinc/07/30/40/464073040.db2.gz LFAYONGVEAWDIZ-ZNLKAECVSA-N 0 0 337.466 2.370 40 0 EEABRN Cc1cc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000195540571 464073416 /nfs/dbraw/zinc/07/34/16/464073416.db2.gz CPNKXOOTQVPBOF-CYBMUJFWSA-N 0 0 335.429 2.374 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000195556837 464076197 /nfs/dbraw/zinc/07/61/97/464076197.db2.gz CJPMMLKQOYAKDC-NVXWUHKLSA-N 0 0 328.343 2.233 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)NC[C@@H](C)c1c(C)noc1C)CC2 ZINC000269797524 464098450 /nfs/dbraw/zinc/09/84/50/464098450.db2.gz CBVADWIOVBJYSN-BXUZGUMPSA-N 0 0 349.431 2.380 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000179321149 464104956 /nfs/dbraw/zinc/10/49/56/464104956.db2.gz RELXNEMRGOVMFO-JTQLQIEISA-N 0 0 332.370 2.227 40 0 EEABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCOC ZINC000222825237 464135050 /nfs/dbraw/zinc/13/50/50/464135050.db2.gz LFLAYMVSQCQKLI-GFCCVEGCSA-N 0 0 326.824 2.230 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1Cl ZINC000223106247 464137582 /nfs/dbraw/zinc/13/75/82/464137582.db2.gz NNALZTPIJJRMIG-UHFFFAOYSA-N 0 0 344.864 2.114 40 0 EEABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223573247 464143842 /nfs/dbraw/zinc/14/38/42/464143842.db2.gz FVAAYEQHPWALSB-DLBZAZTESA-N 0 0 344.484 2.485 40 0 EEABRN O=S(=O)(Cc1ccccc1F)NCCOc1ccc(F)cc1 ZINC000224183550 464148722 /nfs/dbraw/zinc/14/87/22/464148722.db2.gz INTMIYAWKOEDQE-UHFFFAOYSA-N 0 0 327.352 2.463 40 0 EEABRN Cc1cccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1C ZINC000224172606 464148880 /nfs/dbraw/zinc/14/88/80/464148880.db2.gz QDAPFXFCRVXFEW-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN CCOC(=O)Cc1csc(SC[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000225437916 464159606 /nfs/dbraw/zinc/15/96/06/464159606.db2.gz GIUXTAAWNJDYJJ-JTQLQIEISA-N 0 0 349.499 2.166 40 0 EEABRN O=C(COc1ccccc1F)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225453267 464161547 /nfs/dbraw/zinc/16/15/47/464161547.db2.gz GKMITSNFKKBHAQ-CYBMUJFWSA-N 0 0 331.347 2.065 40 0 EEABRN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CC2 ZINC000225507915 464166364 /nfs/dbraw/zinc/16/63/64/464166364.db2.gz UMNZGGYFMUYMOO-ZDUSSCGKSA-N 0 0 341.411 2.117 40 0 EEABRN COC(=O)c1cccc(NC(=S)NCCCn2ccnc2)c1C ZINC000225520981 464167235 /nfs/dbraw/zinc/16/72/35/464167235.db2.gz MBPVVGKJNFHWDG-UHFFFAOYSA-N 0 0 332.429 2.355 40 0 EEABRN Cc1cccc(OC2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)n1 ZINC000225514785 464167822 /nfs/dbraw/zinc/16/78/22/464167822.db2.gz FMRPODRVOHYIIR-AWEZNQCLSA-N 0 0 340.427 2.288 40 0 EEABRN O=C(Nc1ccnn1Cc1cccs1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000225511351 464168260 /nfs/dbraw/zinc/16/82/60/464168260.db2.gz AJUREKHFLQVFTL-GFCCVEGCSA-N 0 0 342.428 2.395 40 0 EEABRN NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2nccc3ccccc32)n[nH]1 ZINC000225556536 464170359 /nfs/dbraw/zinc/17/03/59/464170359.db2.gz HIGAOVHIDBRUOU-INIZCTEOSA-N 0 0 349.394 2.424 40 0 EEABRN CN(Cc1cn(C)nc1-c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000225548243 464170643 /nfs/dbraw/zinc/17/06/43/464170643.db2.gz DVDVJDOQVWEUQV-UHFFFAOYSA-N 0 0 333.457 2.096 40 0 EEABRN CC(C)n1cnc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c1 ZINC000225689170 464180917 /nfs/dbraw/zinc/18/09/17/464180917.db2.gz GPTIPZJUCUOZCB-NSHDSACASA-N 0 0 343.474 2.100 40 0 EEABRN CCc1nc2cc(C(=O)NCCSc3n[nH]c(C)n3)ccc2n1C ZINC000225894899 464181924 /nfs/dbraw/zinc/18/19/24/464181924.db2.gz WDTSBPXLZZWOBP-UHFFFAOYSA-N 0 0 344.444 2.084 40 0 EEABRN Cc1ncn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c1C ZINC000188222737 464228769 /nfs/dbraw/zinc/22/87/69/464228769.db2.gz QDAWQOPVHFVKDK-UHFFFAOYSA-N 0 0 339.439 2.341 40 0 EEABRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1(S(C)(=O)=O)CCC1 ZINC000241262041 464452381 /nfs/dbraw/zinc/45/23/81/464452381.db2.gz LAWOIUGKOFLVAJ-GDBMZVCRSA-N 0 0 335.469 2.433 40 0 EEABRN O=S1(=O)CC[C@H](N(Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000245339201 464471153 /nfs/dbraw/zinc/47/11/53/464471153.db2.gz RDXMTOSXNFFUCC-RBUKOAKNSA-N 0 0 349.496 2.343 40 0 EEABRN CCc1ccc([C@H]2CN(C(=O)NCCc3ccnn3C)CCO2)cc1 ZINC000189980311 464577074 /nfs/dbraw/zinc/57/70/74/464577074.db2.gz GOXOZJLYVZPPFC-GOSISDBHSA-N 0 0 342.443 2.308 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)[C@H]1C ZINC000190053776 464592052 /nfs/dbraw/zinc/59/20/52/464592052.db2.gz VXJUVVJTOMGMOM-JGVFFNPUSA-N 0 0 332.734 2.193 40 0 EEABRN COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ncnc2c1cnn2C ZINC000272897546 464694488 /nfs/dbraw/zinc/69/44/88/464694488.db2.gz CDSFAPCCTRYUGB-CYBMUJFWSA-N 0 0 346.387 2.379 40 0 EEABRN CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@H](OC)C2)cc1 ZINC000247889988 464712954 /nfs/dbraw/zinc/71/29/54/464712954.db2.gz SWPAUVIVMAYABC-GOSISDBHSA-N 0 0 343.427 2.272 40 0 EEABRN Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000247957044 464718112 /nfs/dbraw/zinc/71/81/12/464718112.db2.gz MONFKTNMKMNYNQ-RKWLLSJHSA-N 0 0 327.428 2.385 40 0 EEABRN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc2ccccc2n1 ZINC000248595273 464768809 /nfs/dbraw/zinc/76/88/09/464768809.db2.gz SSRKADCHAXYAGD-WMLDXEAASA-N 0 0 342.395 2.161 40 0 EEABRN Cc1cccc(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)n1 ZINC000191376765 464813574 /nfs/dbraw/zinc/81/35/74/464813574.db2.gz WUASQKQTBHSUHQ-OAHLLOKOSA-N 0 0 331.445 2.123 40 0 EEABRN CCOc1ncccc1CNC(=O)c1nc(-c2ccccc2)nn1C ZINC000252485336 464963977 /nfs/dbraw/zinc/96/39/77/464963977.db2.gz GRLXCYYOMQTKBI-UHFFFAOYSA-N 0 0 337.383 2.206 40 0 EEABRN O=C(c1cccnc1)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000252496972 464969567 /nfs/dbraw/zinc/96/95/67/464969567.db2.gz PWULWWISPLJHMG-GFCCVEGCSA-N 0 0 342.380 2.407 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC ZINC000252514105 464978595 /nfs/dbraw/zinc/97/85/95/464978595.db2.gz BGVRUTQGUXDWCA-GUTXKFCHSA-N 0 0 345.461 2.035 40 0 EEABRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCc1cnc(C2CC2)nc1 ZINC000253393299 464998679 /nfs/dbraw/zinc/99/86/79/464998679.db2.gz ONEQMTVZOJWJIA-HNNXBMFYSA-N 0 0 340.431 2.007 40 0 EEABRN c1nc([C@H](NCC2CCC3(CC2)OCCO3)c2ccccc2)n[nH]1 ZINC000253427025 465011265 /nfs/dbraw/zinc/01/12/65/465011265.db2.gz VFKCAIWVWLDCHI-MRXNPFEDSA-N 0 0 328.416 2.417 40 0 EEABRN C[C@@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429432 465012662 /nfs/dbraw/zinc/01/26/62/465012662.db2.gz SDDMRPXJKDPFBO-VERVWZFWSA-N 0 0 338.864 2.121 40 0 EEABRN CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(C)c1 ZINC000253431582 465014390 /nfs/dbraw/zinc/01/43/90/465014390.db2.gz SIMLVUFSWGAXNI-CQSZACIVSA-N 0 0 341.415 2.147 40 0 EEABRN COc1ccc(F)cc1S(=O)(=O)NCCCc1cc(C)no1 ZINC000253472168 465014925 /nfs/dbraw/zinc/01/49/25/465014925.db2.gz JXBIOLIKCMXZDM-UHFFFAOYSA-N 0 0 328.365 2.042 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cn1 ZINC000193036540 465023488 /nfs/dbraw/zinc/02/34/88/465023488.db2.gz FOGSMTRAUZZKJI-UHFFFAOYSA-N 0 0 336.266 2.447 40 0 EEABRN CC(C)(C)n1nccc1NC(=O)Cn1cc(Br)cn1 ZINC000299173122 465635180 /nfs/dbraw/zinc/63/51/80/465635180.db2.gz VXIKAJUXFTUBPL-UHFFFAOYSA-N 0 0 326.198 2.236 40 0 EEABRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366611619 465832842 /nfs/dbraw/zinc/83/28/42/465832842.db2.gz NMQQBRQSKBMRLA-URLYPYJESA-N 0 0 348.296 2.469 40 0 EEABRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000331538466 466129889 /nfs/dbraw/zinc/12/98/89/466129889.db2.gz MLVRVYLOQOWJBT-DZGCQCFKSA-N 0 0 340.420 2.168 40 0 EEABRN Cc1nc(C(=O)N2CCn3c(ncc3-c3cccnc3)C2)cs1 ZINC000306134280 466491867 /nfs/dbraw/zinc/49/18/67/466491867.db2.gz NHOOUPZJLPTOGS-UHFFFAOYSA-N 0 0 325.397 2.366 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408545787 466680226 /nfs/dbraw/zinc/68/02/26/466680226.db2.gz OGIDITWYHXUTEL-ZIAGYGMSSA-N 0 0 326.462 2.454 40 0 EEABRN Cn1ccc([C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1 ZINC000390830727 467413199 /nfs/dbraw/zinc/41/31/99/467413199.db2.gz MXKDLLYULUYGIW-CQSZACIVSA-N 0 0 336.399 2.021 40 0 EEABRN CN1CCOC[C@@H]1C(=O)NC(C)(C)c1ccccc1Br ZINC000390834596 467415323 /nfs/dbraw/zinc/41/53/23/467415323.db2.gz GYZYWSYWXQSWDR-CYBMUJFWSA-N 0 0 341.249 2.131 40 0 EEABRN CCCS(=O)(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000575404714 468141577 /nfs/dbraw/zinc/14/15/77/468141577.db2.gz DCWJXBDVUQBBLY-KRWDZBQOSA-N 0 0 349.456 2.024 40 0 EEABRN Cc1ccncc1CO[C@@H]1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC000575406354 468142460 /nfs/dbraw/zinc/14/24/60/468142460.db2.gz ZZNVOWZGIDVLMM-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000575406661 468142921 /nfs/dbraw/zinc/14/29/21/468142921.db2.gz ZNAAXCKULXYFJG-ZDUSSCGKSA-N 0 0 343.383 2.085 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575605569 468145995 /nfs/dbraw/zinc/14/59/95/468145995.db2.gz KZCZOHMHJIXEEM-CQSZACIVSA-N 0 0 347.802 2.361 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575608563 468146429 /nfs/dbraw/zinc/14/64/29/468146429.db2.gz ZDFPWCPRLOUXLA-CQSZACIVSA-N 0 0 347.802 2.497 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575606569 468146755 /nfs/dbraw/zinc/14/67/55/468146755.db2.gz PSNZPZOGTIFUDL-CQSZACIVSA-N 0 0 335.766 2.492 40 0 EEABRN O=C(COc1ccccc1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609645 468147648 /nfs/dbraw/zinc/14/76/48/468147648.db2.gz YUZUBTXLHOVPFL-UHFFFAOYSA-N 0 0 338.411 2.082 40 0 EEABRN O=C(Cc1cccc(F)c1F)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000585107679 468972617 /nfs/dbraw/zinc/97/26/17/468972617.db2.gz RYKZBJKIDRWIBW-CABCVRRESA-N 0 0 334.366 2.119 40 0 EEABRN Cc1nc(C(=O)NCC[C@H]2CN(C3CCC3)Cc3ccnn32)cs1 ZINC000585111841 468974614 /nfs/dbraw/zinc/97/46/14/468974614.db2.gz CVATWQLUMIGOCN-AWEZNQCLSA-N 0 0 345.472 2.377 40 0 EEABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)C1CC(F)C1 ZINC000585113085 468976640 /nfs/dbraw/zinc/97/66/40/468976640.db2.gz ZGMWYWYCORDROO-OFLPRAFFSA-N 0 0 343.402 2.410 40 0 EEABRN CCCCNC(=O)[C@@H](C)N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000585141449 468989680 /nfs/dbraw/zinc/98/96/80/468989680.db2.gz VYZMLZNMKFKJRV-CQSZACIVSA-N 0 0 339.505 2.126 40 0 EEABRN Cc1nccc(OC2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)n1 ZINC000585147038 468991465 /nfs/dbraw/zinc/99/14/65/468991465.db2.gz UNVZRTYJXDREJY-UHFFFAOYSA-N 0 0 348.790 2.223 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 ZINC000585181899 468996127 /nfs/dbraw/zinc/99/61/27/468996127.db2.gz BXGUJVFXLOKKAP-AWEZNQCLSA-N 0 0 327.388 2.385 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)nc1 ZINC000585275699 468999184 /nfs/dbraw/zinc/99/91/84/468999184.db2.gz DOMMIYXBOYEIDP-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN O=C(c1n[nH]cc1Cl)N1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585276628 469002141 /nfs/dbraw/zinc/00/21/41/469002141.db2.gz OMALTWXRRGATME-INIZCTEOSA-N 0 0 335.791 2.109 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000585277686 469003898 /nfs/dbraw/zinc/00/38/98/469003898.db2.gz KIOJNBHQWFXRGB-LJQANCHMSA-N 0 0 341.411 2.122 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)c2cccnc2N)C[C@H]1O ZINC000585279761 469006413 /nfs/dbraw/zinc/00/64/13/469006413.db2.gz OEETZWNRDYOYAS-NVXWUHKLSA-N 0 0 325.412 2.038 40 0 EEABRN CCc1nc(CN[C@H]2CCN(C(C)=O)C[C@H]2Cc2ccccc2)no1 ZINC000585283808 469007450 /nfs/dbraw/zinc/00/74/50/469007450.db2.gz CQCPSFDKCMTYBZ-SJORKVTESA-N 0 0 342.443 2.201 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)c(C)[nH]1 ZINC000585288305 469009637 /nfs/dbraw/zinc/00/96/37/469009637.db2.gz UTDRQLQXCNWJFV-KBXCAEBGSA-N 0 0 333.432 2.049 40 0 EEABRN CCCn1ccnc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292806 469012239 /nfs/dbraw/zinc/01/22/39/469012239.db2.gz OJDOTJNCOLYCPR-JFIYKMOQSA-N 0 0 349.862 2.268 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096047739 501077377 /nfs/dbraw/zinc/07/73/77/501077377.db2.gz UMLJESAFIYRRNF-BBRMVZONSA-N 0 0 330.413 2.024 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000135495842 533771920 /nfs/dbraw/zinc/77/19/20/533771920.db2.gz TUZJEMULLWGUGI-WBVHZDCISA-N 0 0 332.444 2.191 40 0 EEABRN CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1noc(C(C)(C)C)n1 ZINC000096484197 519800037 /nfs/dbraw/zinc/80/00/37/519800037.db2.gz KMQQBRMKQXOOKQ-GFCCVEGCSA-N 0 0 326.441 2.209 40 0 EEABRN CCN(CC)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000408678832 528003274 /nfs/dbraw/zinc/00/32/74/528003274.db2.gz IJXQFIROKCWCNP-UHFFFAOYSA-N 0 0 326.462 2.410 40 0 EEABRN CCCNC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000192878394 528337998 /nfs/dbraw/zinc/33/79/98/528337998.db2.gz KMZZBYFLWNSQNG-UHFFFAOYSA-N 0 0 334.416 2.082 40 0 EEABRN CCCn1[nH]ccc1=NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000193178299 535577538 /nfs/dbraw/zinc/57/75/38/535577538.db2.gz DVVPYIQHHQJSLA-QGOAFFKASA-N 0 0 343.412 2.496 40 0 EEABRN CN(C)Cc1ccnc([C@@H]2CN(Cc3c(F)cccc3F)CCO2)n1 ZINC000257225506 536050160 /nfs/dbraw/zinc/05/01/60/536050160.db2.gz FGNKDZXGQCUZHX-KRWDZBQOSA-N 0 0 348.397 2.390 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cc(C)no3)CC2)cn1 ZINC000257268775 536421806 /nfs/dbraw/zinc/42/18/06/536421806.db2.gz MNDBAIXIWIUNPR-ZDUSSCGKSA-N 0 0 329.404 2.300 40 0 EEABRN CO[C@H]1CCCOC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000257207765 536713457 /nfs/dbraw/zinc/71/34/57/536713457.db2.gz BJCXDAWYBLWRTP-HNNXBMFYSA-N 0 0 343.420 2.174 40 0 EEABRN COc1cc(NC(=O)c2nc(C)ccc2Br)nn1C ZINC000935453358 680088888 /nfs/dbraw/zinc/08/88/88/680088888.db2.gz NOFWBTFWVHRPOL-UHFFFAOYSA-N 0 0 325.166 2.147 40 0 EEABRN Cc1ccc(-c2noc(Cc3ccn(CC(F)(F)F)n3)n2)c(=O)[nH]1 ZINC000904046585 694274085 /nfs/dbraw/zinc/27/40/85/694274085.db2.gz KIRRBXXYDURQOI-UHFFFAOYSA-N 0 0 339.277 2.495 40 0 EEABRN O=C(N[C@@H]1Cc2cncn2C1)c1ccnc(OC2CCCCC2)c1 ZINC000585141128 1184703303 /nfs/dbraw/zinc/70/33/03/1184703303.db2.gz QACTXCAZTVXOMJ-CQSZACIVSA-N 0 0 326.400 2.344 40 0 EEABRN C[Si](C)(C)c1cn(-c2ccc(I)cc2)nn1 ZINC000200385291 1410558398 /nfs/dbraw/zinc/55/83/98/1410558398.db2.gz QPBQTQWQRCVSKE-UHFFFAOYSA-N 0 0 343.244 2.417 40 0 EEABRN C[C@@H]1NC(=S)N(c2cccc(COC[C@H]3CCCCO3)c2)C1=O ZINC000055179702 214284200 /nfs/dbraw/zinc/28/42/00/214284200.db2.gz GBWVCWQIZBTQME-SWLSCSKDSA-N 0 0 334.441 2.382 40 0 EEABRN COc1ncccc1CN1CC[C@H]2O[C@@H](c3nnc(C)o3)CC[C@H]21 ZINC000097953619 219065231 /nfs/dbraw/zinc/06/52/31/219065231.db2.gz FTGYJYZSWBHEEA-RBSFLKMASA-N 0 0 330.388 2.276 40 0 EEABRN CC[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1c(C)noc1C ZINC000190338897 529644090 /nfs/dbraw/zinc/64/40/90/529644090.db2.gz IEKVNHLKJZURJH-IJEWVQPXSA-N 0 0 347.419 2.305 40 0 EEABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCc1nc(-c2ccncc2)no1 ZINC000100459460 219100002 /nfs/dbraw/zinc/10/00/02/219100002.db2.gz LVNTXTITPASGGJ-KBPBESRZSA-N 0 0 340.383 2.239 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)c2ccccc12 ZINC000045741957 213752423 /nfs/dbraw/zinc/75/24/23/213752423.db2.gz VBSUXYDIMJJYFA-CYBMUJFWSA-N 0 0 345.424 2.412 40 0 EEABRN Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CCCO2)c(C)c1Br ZINC000002779191 209909899 /nfs/dbraw/zinc/90/98/99/209909899.db2.gz NDEWEKFJDBBMMN-JOYOIKCWSA-N 0 0 344.253 2.336 40 0 EEABRN COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccco2)N(C)C)c1C ZINC000069294841 215375558 /nfs/dbraw/zinc/37/55/58/215375558.db2.gz FWCQLFXDZXPVOR-LBPRGKRZSA-N 0 0 333.388 2.044 40 0 EEABRN O=C(N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000040466605 213310149 /nfs/dbraw/zinc/31/01/49/213310149.db2.gz DJIBQZWOSBAFDA-UKRRQHHQSA-N 0 0 335.450 2.388 40 0 EEABRN Cc1oc(-c2ccccc2)nc1C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000040047525 213254127 /nfs/dbraw/zinc/25/41/27/213254127.db2.gz ZRXVDOYCFIHLOY-ZIAGYGMSSA-N 0 0 343.427 2.489 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000186000772 235806347 /nfs/dbraw/zinc/80/63/47/235806347.db2.gz NAJAVOXLRMDISH-IIYDPXPESA-N 0 0 346.406 2.467 40 0 EEABRN C[C@H]1Nc2ncnn2[C@@H](c2cccnc2)[C@H]1C(=O)Nc1ccccc1 ZINC000036701706 213110909 /nfs/dbraw/zinc/11/09/09/213110909.db2.gz JGXIELXOFWPWPB-KCXAZCMYSA-N 0 0 334.383 2.331 40 0 EEABRN Cc1cccc([C@H](C)CNC(=O)NCCc2nnc3n2CCC3)c1 ZINC000096461469 237060290 /nfs/dbraw/zinc/06/02/90/237060290.db2.gz VHZNNQIIUMEDBR-CQSZACIVSA-N 0 0 327.432 2.178 40 0 EEABRN C=Cn1cc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000193905946 240355636 /nfs/dbraw/zinc/35/56/36/240355636.db2.gz ZJFUHXMLSRXPRG-UHFFFAOYSA-N 0 0 348.454 2.487 40 0 EEABRN C[C@H](Nc1cnn(-c2ccccc2Br)c1)c1nnnn1C ZINC000189890348 237362180 /nfs/dbraw/zinc/36/21/80/237362180.db2.gz RXFKBDRQHDASHW-VIFPVBQESA-N 0 0 348.208 2.331 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cccs1 ZINC000072238156 216077739 /nfs/dbraw/zinc/07/77/39/216077739.db2.gz SRYIQBVWJXKRFK-XJKSGUPXSA-N 0 0 329.425 2.369 40 0 EEABRN C[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccccc1 ZINC000072237927 216076467 /nfs/dbraw/zinc/07/64/67/216076467.db2.gz YSMQOAQYSZBOKO-JVPBZIDWSA-N 0 0 338.407 2.462 40 0 EEABRN CC(C)OCc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000072264808 216086310 /nfs/dbraw/zinc/08/63/10/216086310.db2.gz RAELCGXQDUWYGO-KBPBESRZSA-N 0 0 327.446 2.410 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335239 216156109 /nfs/dbraw/zinc/15/61/09/216156109.db2.gz RHETYSSGSZYOOH-YPMHNXCESA-N 0 0 344.440 2.406 40 0 EEABRN Cc1cc(-c2cnc(N3CCC(O)CC3)nc2[C@@H]2CCCO2)on1 ZINC000072324923 216150969 /nfs/dbraw/zinc/15/09/69/216150969.db2.gz JQPIMQMMJGPRNO-AWEZNQCLSA-N 0 0 330.388 2.253 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2cncc(Cc3ccccc3)n2)C1 ZINC000072360615 216166958 /nfs/dbraw/zinc/16/69/58/216166958.db2.gz CMRFQAHTFOBXNX-INIZCTEOSA-N 0 0 345.468 2.282 40 0 EEABRN CC(C)[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000193924479 240362824 /nfs/dbraw/zinc/36/28/24/240362824.db2.gz SIHJHTGHIDTTCV-FZMZJTMJSA-N 0 0 346.880 2.433 40 0 EEABRN Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)c1 ZINC000072368750 216175647 /nfs/dbraw/zinc/17/56/47/216175647.db2.gz VLVDFAQEBMICAZ-CQSZACIVSA-N 0 0 335.429 2.198 40 0 EEABRN c1c[nH]c(CN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)n1 ZINC000072378058 216178685 /nfs/dbraw/zinc/17/86/85/216178685.db2.gz IGFZVQHRUZDPID-CQSZACIVSA-N 0 0 336.403 2.461 40 0 EEABRN Cc1csc(CCNc2cc([C@H]3CN(C)CCO3)nc(C)n2)n1 ZINC000072387896 216188423 /nfs/dbraw/zinc/18/84/23/216188423.db2.gz URGSEHAPLFTZPT-CQSZACIVSA-N 0 0 333.461 2.208 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C12CCCC2 ZINC000072535893 216270373 /nfs/dbraw/zinc/27/03/73/216270373.db2.gz QFQCJKYXHSXMQL-ARFHVFGLSA-N 0 0 334.460 2.241 40 0 EEABRN O=C([C@H]1CCCS1)N1CCN(c2nncc3ccccc32)CC1 ZINC000073102284 216348743 /nfs/dbraw/zinc/34/87/43/216348743.db2.gz SNWRCAQPQDOUJM-OAHLLOKOSA-N 0 0 328.441 2.174 40 0 EEABRN O=C(Cc1cccc(O)c1)N1CCN(c2nncc3ccccc32)CC1 ZINC000073147038 216356479 /nfs/dbraw/zinc/35/64/79/216356479.db2.gz PJIJCQKHXCBMEC-UHFFFAOYSA-N 0 0 348.406 2.227 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccc(F)cc2)cc1 ZINC000193065594 240005191 /nfs/dbraw/zinc/00/51/91/240005191.db2.gz NGMJLOXISOQVQX-UHFFFAOYSA-N 0 0 336.388 2.353 40 0 EEABRN C[C@H](N1CCN(C(=O)Nc2ccc(N(C)C)cn2)CC1)C(F)(F)F ZINC000193850615 240336008 /nfs/dbraw/zinc/33/60/08/240336008.db2.gz JZODFYSFXNERSF-NSHDSACASA-N 0 0 345.369 2.248 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccco1)C1CCN(CC(F)(F)F)CC1 ZINC000193861382 240339720 /nfs/dbraw/zinc/33/97/20/240339720.db2.gz LVXZFWGSWFIZHU-JTQLQIEISA-N 0 0 340.367 2.221 40 0 EEABRN CN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226057017 242087129 /nfs/dbraw/zinc/08/71/29/242087129.db2.gz NAFRPKUXXLEEIH-UHFFFAOYSA-N 0 0 332.853 2.123 40 0 EEABRN Cc1cccc(C)c1OC1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000253419081 243948733 /nfs/dbraw/zinc/94/87/33/243948733.db2.gz IETCLWXUNRVZCO-AWEZNQCLSA-N 0 0 334.441 2.498 40 0 EEABRN O=c1cc(C[C@H]2COCCN(Cc3cccc(F)c3F)C2)nc[nH]1 ZINC000257201726 244121924 /nfs/dbraw/zinc/12/19/24/244121924.db2.gz AIUHDGYRUFIAOB-GFCCVEGCSA-N 0 0 335.354 2.152 40 0 EEABRN O=C(c1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257211033 244150322 /nfs/dbraw/zinc/15/03/22/244150322.db2.gz BXGRFLKXJRUEJW-GOSISDBHSA-N 0 0 338.411 2.291 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)COc3ccccc3Cl)CCO2)n1 ZINC000257226643 244201340 /nfs/dbraw/zinc/20/13/40/244201340.db2.gz FLNQSTXGBMCZGP-AWEZNQCLSA-N 0 0 335.791 2.350 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257231318 244213352 /nfs/dbraw/zinc/21/33/52/244213352.db2.gz GGDNPZVADKAVJJ-CQSZACIVSA-N 0 0 340.427 2.338 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1C(F)(F)F ZINC000257239925 244239240 /nfs/dbraw/zinc/23/92/40/244239240.db2.gz HRJYRLZZCNFNNC-SECBINFHSA-N 0 0 327.310 2.182 40 0 EEABRN CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(-c2nccs2)cn1 ZINC000257240813 244241079 /nfs/dbraw/zinc/24/10/79/244241079.db2.gz HVHLFDJKXHKWBG-CYBMUJFWSA-N 0 0 338.458 2.148 40 0 EEABRN Cc1noc(C)c1CC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257248084 244263513 /nfs/dbraw/zinc/26/35/13/244263513.db2.gz JCARDTWTIJBPKI-HNNXBMFYSA-N 0 0 328.416 2.356 40 0 EEABRN Cc1nccc([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257251351 244270097 /nfs/dbraw/zinc/27/00/97/244270097.db2.gz JQJXVLWUPIZQNB-INIZCTEOSA-N 0 0 348.410 2.386 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cnc(C)cn1)C2 ZINC000257254912 244279824 /nfs/dbraw/zinc/27/98/24/244279824.db2.gz KFFLIIVDUYBRQT-LKCYJCQHSA-N 0 0 342.443 2.179 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)CCC)C2)nc1C ZINC000257264917 244359210 /nfs/dbraw/zinc/35/92/10/244359210.db2.gz LWNDQFWONCJHPH-OAHLLOKOSA-N 0 0 346.475 2.278 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257270326 244373839 /nfs/dbraw/zinc/37/38/39/244373839.db2.gz MTTGGTDEEVJNCZ-LJQANCHMSA-N 0 0 338.411 2.005 40 0 EEABRN O=C(Cc1cccc(F)c1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257270972 244377293 /nfs/dbraw/zinc/37/72/93/244377293.db2.gz MWJKURYUEPAEPL-AWEZNQCLSA-N 0 0 329.375 2.369 40 0 EEABRN O=C(C1CCCC1)N1CC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257262629 244352737 /nfs/dbraw/zinc/35/27/37/244352737.db2.gz LMDJGFVIMYWZTR-CYBMUJFWSA-N 0 0 325.416 2.448 40 0 EEABRN Cc1nn(C)c2ncc(NC(=O)NC[C@@](C)(O)c3ccsc3)cc12 ZINC000077679448 216953257 /nfs/dbraw/zinc/95/32/57/216953257.db2.gz KHFLMSDRCOFLAR-MRXNPFEDSA-N 0 0 345.428 2.367 40 0 EEABRN CCC(=O)N1C[C@H]2CCc3nnc(-c4ccccc4OC)n3[C@H]2C1 ZINC000019499216 212033973 /nfs/dbraw/zinc/03/39/73/212033973.db2.gz WWTOEIYOYCLCBZ-OCCSQVGLSA-N 0 0 326.400 2.309 40 0 EEABRN CC(C)CCn1nnnc1[C@H](c1ccccc1F)N1CCN(C)CC1 ZINC000019447029 212028498 /nfs/dbraw/zinc/02/84/98/212028498.db2.gz MFINMVBRSLUOQE-KRWDZBQOSA-N 0 0 346.454 2.195 40 0 EEABRN COCC(=O)N[C@H](C(=O)Nc1cccc(Br)c1)C(C)C ZINC000078057234 217016412 /nfs/dbraw/zinc/01/64/12/217016412.db2.gz IMSNYVKCDPIUSQ-ZDUSSCGKSA-N 0 0 343.221 2.175 40 0 EEABRN CCc1cc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)n(C)n1 ZINC000078115534 217023219 /nfs/dbraw/zinc/02/32/19/217023219.db2.gz DGHGTGSWMOACQX-CQSZACIVSA-N 0 0 349.479 2.389 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(cc1=O)CO[C@H]2C ZINC000019214620 212006273 /nfs/dbraw/zinc/00/62/73/212006273.db2.gz RSSLDYGKTFAAOA-JTQLQIEISA-N 0 0 333.775 2.435 40 0 EEABRN O=c1c(Cl)c(Cl)cnn1-c1ccc(N2CC(O)C2)c(Cl)c1 ZINC000078774347 217118961 /nfs/dbraw/zinc/11/89/61/217118961.db2.gz GOWJZYXKZAAQLX-UHFFFAOYSA-N 0 0 346.601 2.374 40 0 EEABRN CCS[C@H]1CCCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000078987296 217166512 /nfs/dbraw/zinc/16/65/12/217166512.db2.gz MEWVKPXDAZYMMY-HNNXBMFYSA-N 0 0 331.445 2.410 40 0 EEABRN O=C(c1ccc(-c2cnco2)cc1)N1CCCN(c2ncccn2)CC1 ZINC000079000194 217171538 /nfs/dbraw/zinc/17/15/38/217171538.db2.gz WJRGOAZXFLUZAT-UHFFFAOYSA-N 0 0 349.394 2.484 40 0 EEABRN CC(=O)Nc1ccc(/C=C/C(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000079001847 217172359 /nfs/dbraw/zinc/17/23/59/217172359.db2.gz RPEQOLJDURKVEQ-KXOMFBTKSA-N 0 0 336.457 2.322 40 0 EEABRN CC(=O)Nc1cccc(CN(C2CC2)S(=O)(=O)c2cccnc2)c1 ZINC000079336426 217211002 /nfs/dbraw/zinc/21/10/02/217211002.db2.gz GRZGCPUNRLALBQ-UHFFFAOYSA-N 0 0 345.424 2.393 40 0 EEABRN CC(C)NC(=O)CCNC(=O)c1cc(Br)cn1C(C)C ZINC000079480360 217230149 /nfs/dbraw/zinc/23/01/49/217230149.db2.gz FKGYDLMVIWGGPE-UHFFFAOYSA-N 0 0 344.253 2.476 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)CCN1c2ccccc2CC[C@@H]1C ZINC000081011287 217350703 /nfs/dbraw/zinc/35/07/03/217350703.db2.gz GAFDXIDHLVPNBB-GJZGRUSLSA-N 0 0 327.432 2.014 40 0 EEABRN O=C(c1cccnc1)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000253417698 296264381 /nfs/dbraw/zinc/26/43/81/296264381.db2.gz GQPJCZBIOUDTAN-ZDUSSCGKSA-N 0 0 336.355 2.289 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NCCN1CCc2ccccc21 ZINC000012223125 211323906 /nfs/dbraw/zinc/32/39/06/211323906.db2.gz LIZXNCPHPXZELU-UHFFFAOYSA-N 0 0 346.452 2.345 40 0 EEABRN O=C(NCCN1CCc2ccccc21)c1cc(-c2ccccn2)n[nH]1 ZINC000012116867 211296588 /nfs/dbraw/zinc/29/65/88/211296588.db2.gz NMWXSBJOCVLNBU-UHFFFAOYSA-N 0 0 333.395 2.264 40 0 EEABRN CCc1nn(CC(=O)NC(C)(C)C)c(=O)c2cc3sccc3n21 ZINC000012115298 211293870 /nfs/dbraw/zinc/29/38/70/211293870.db2.gz PGLIUOZPGSCBBC-UHFFFAOYSA-N 0 0 332.429 2.188 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012113224 211292426 /nfs/dbraw/zinc/29/24/26/211292426.db2.gz YNXVUZQKJUUADD-IYBDPMFKSA-N 0 0 331.460 2.155 40 0 EEABRN Cc1ccc(S(=O)(=O)CCCn2nc(-c3ccco3)oc2=O)cc1 ZINC000091579131 218024204 /nfs/dbraw/zinc/02/42/04/218024204.db2.gz AECQKHJKTCECSR-UHFFFAOYSA-N 0 0 348.380 2.269 40 0 EEABRN CC(C)COc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 ZINC000009232186 211057083 /nfs/dbraw/zinc/05/70/83/211057083.db2.gz WXBZXPRMEVSHHM-UHFFFAOYSA-N 0 0 327.384 2.371 40 0 EEABRN C[C@H](O)CCN(C)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000095433826 218376694 /nfs/dbraw/zinc/37/66/94/218376694.db2.gz WBGRPUOXVGMWJL-QMMMGPOBSA-N 0 0 334.850 2.341 40 0 EEABRN NC(=O)c1cn(Cc2ccn(-c3c(F)cccc3F)n2)c(C2CC2)n1 ZINC000095435007 218377314 /nfs/dbraw/zinc/37/73/14/218377314.db2.gz KEJGUZRQBRJOGO-UHFFFAOYSA-N 0 0 343.337 2.372 40 0 EEABRN C[C@H]1OCC[C@H]1NC(=O)NCCc1nc2cc(Cl)ccc2n1C ZINC000095448751 218392834 /nfs/dbraw/zinc/39/28/34/218392834.db2.gz HXDUMHAMSQRBSE-ZYHUDNBSSA-N 0 0 336.823 2.246 40 0 EEABRN Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Nc1ccccc1 ZINC000096098661 218591485 /nfs/dbraw/zinc/59/14/85/218591485.db2.gz JWWMLGWMEGTKOJ-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN Cc1cccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 ZINC000096120919 218612369 /nfs/dbraw/zinc/61/23/69/218612369.db2.gz LZIRNMRMJXIHRV-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 ZINC000096121978 218613325 /nfs/dbraw/zinc/61/33/25/218613325.db2.gz IBXVVZNMTPEZGF-UHFFFAOYSA-N 0 0 345.848 2.244 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108874 218603618 /nfs/dbraw/zinc/60/36/18/218603618.db2.gz GZEXYCCLQDNJER-SJLPKXTDSA-N 0 0 344.436 2.449 40 0 EEABRN Cc1occc1C(=O)N1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 ZINC000096198284 218669551 /nfs/dbraw/zinc/66/95/51/218669551.db2.gz WZMZTHHMTAMVCV-OAHLLOKOSA-N 0 0 329.400 2.488 40 0 EEABRN COCCN1C(=O)CCC12CCC(NC(=O)Cc1ccccc1)CC2 ZINC000096228557 218705653 /nfs/dbraw/zinc/70/56/53/218705653.db2.gz AKSAQIKXTORRID-UHFFFAOYSA-N 0 0 344.455 2.296 40 0 EEABRN Cc1nccn1CCCNS(=O)(=O)c1cccc2cccnc21 ZINC000096407124 218758490 /nfs/dbraw/zinc/75/84/90/218758490.db2.gz IAPBFMIFRDROIU-UHFFFAOYSA-N 0 0 330.413 2.108 40 0 EEABRN CN(C)c1cccc([C@H]2CCCN2C(=O)NCC(=O)N2CCCC2)c1 ZINC000096410454 218764379 /nfs/dbraw/zinc/76/43/79/218764379.db2.gz OLUWLKNIJSRTKL-QGZVFWFLSA-N 0 0 344.459 2.222 40 0 EEABRN CC[C@H](NC(=O)NCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000096415189 218774508 /nfs/dbraw/zinc/77/45/08/218774508.db2.gz HSNSXTYYQJMYCF-AWEZNQCLSA-N 0 0 327.375 2.487 40 0 EEABRN O=C(c1ccnc(F)c1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096418514 218781683 /nfs/dbraw/zinc/78/16/83/218781683.db2.gz HYOIPLOUPBGUQW-UHFFFAOYSA-N 0 0 337.358 2.126 40 0 EEABRN Cc1noc(CNC(=O)[C@H](C)Oc2cccc(Br)c2)n1 ZINC000096425374 218794784 /nfs/dbraw/zinc/79/47/84/218794784.db2.gz JNYDJCRSRVXNCQ-QMMMGPOBSA-N 0 0 340.177 2.224 40 0 EEABRN CO[C@@H](CNC(=O)c1c(C)c(C)nn(C)c1=O)c1ccc(Cl)cc1 ZINC000096425482 218794869 /nfs/dbraw/zinc/79/48/69/218794869.db2.gz VUKPUTYFWLPJSV-AWEZNQCLSA-N 0 0 349.818 2.168 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)N(C)C2CCC(OC)CC2)c1C ZINC000096428042 218800777 /nfs/dbraw/zinc/80/07/77/218800777.db2.gz DSGBARWCACZHRE-UHFFFAOYSA-N 0 0 329.466 2.098 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)NC[C@H](C)c2cccs2)c1 ZINC000096451327 218834141 /nfs/dbraw/zinc/83/41/41/218834141.db2.gz SMMIHXXNGKPRGB-VIFPVBQESA-N 0 0 344.483 2.251 40 0 EEABRN C[C@@H]1OCCN(C(=O)NCc2cn(C)nc2-c2ccccc2)[C@H]1C ZINC000096501314 218877109 /nfs/dbraw/zinc/87/71/09/218877109.db2.gz DREYVDDVTWCADZ-KBPBESRZSA-N 0 0 328.416 2.406 40 0 EEABRN CSc1nnc(CCNC(=O)Nc2cccc(C(C)=O)c2)n1C ZINC000005001760 210357437 /nfs/dbraw/zinc/35/74/37/210357437.db2.gz LJZPKJHUZPTKNR-UHFFFAOYSA-N 0 0 333.417 2.104 40 0 EEABRN Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H](O)[C@H](O)CO)cc1C ZINC000004990537 210353246 /nfs/dbraw/zinc/35/32/46/210353246.db2.gz ZWYPGCWCMYGGJT-GIVPXCGWSA-N 0 0 344.451 2.127 40 0 EEABRN Cc1ccc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(O)c2c1 ZINC000004861613 210304357 /nfs/dbraw/zinc/30/43/57/210304357.db2.gz APDAWMPQXVFWQX-UHFFFAOYSA-N 0 0 336.347 2.495 40 0 EEABRN CCn1ccnc(N2CCc3c(ncn3CCc3ccccc3)C2)c1=O ZINC000097371929 219016646 /nfs/dbraw/zinc/01/66/46/219016646.db2.gz GWFSQLCKWQVTGI-UHFFFAOYSA-N 0 0 349.438 2.265 40 0 EEABRN CCOC(=O)c1cc(NC(=O)CSc2nc[nH]n2)ccc1Cl ZINC000409178254 257875745 /nfs/dbraw/zinc/87/57/45/257875745.db2.gz KAPNYCIFNANDEU-UHFFFAOYSA-N 0 0 340.792 2.366 40 0 EEABRN COC(=O)c1cn(CCC(F)(F)F)nc1I ZINC000408717850 257844832 /nfs/dbraw/zinc/84/48/32/257844832.db2.gz XTXZGLBBIIYJEO-UHFFFAOYSA-N 0 0 348.062 2.227 40 0 EEABRN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000275554149 257993226 /nfs/dbraw/zinc/99/32/26/257993226.db2.gz UCQFJEPRQSQJCH-SJORKVTESA-N 0 0 330.428 2.177 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)o1 ZINC000183095167 291976732 /nfs/dbraw/zinc/97/67/32/291976732.db2.gz MQPUVEQDCSIZNR-HNNXBMFYSA-N 0 0 348.424 2.148 40 0 EEABRN CN1c2nnc(CCc3ccccc3)n2S(=O)(=O)c2ccccc21 ZINC000001589186 135655630 /nfs/dbraw/zinc/65/56/30/135655630.db2.gz SXWQHZVVRCQTMA-UHFFFAOYSA-N 0 0 340.408 2.382 40 0 EEABRN CCN(CC)C(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000243713220 160229698 /nfs/dbraw/zinc/22/96/98/160229698.db2.gz PNKMGOBWCDFCNM-UHFFFAOYSA-N 0 0 348.443 2.424 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096521640 287380933 /nfs/dbraw/zinc/38/09/33/287380933.db2.gz BMVMCAWHLFIUJU-RYUDHWBXSA-N 0 0 336.251 2.238 40 0 EEABRN CCOc1ncccc1CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171456289 227088764 /nfs/dbraw/zinc/08/87/64/227088764.db2.gz XBXFUQZLHDKJKP-HNNXBMFYSA-N 0 0 329.404 2.261 40 0 EEABRN CN(C)C(=O)c1nc2c(s1)CCN(C(=O)Nc1ccccc1)CC2 ZINC000096147025 276762271 /nfs/dbraw/zinc/76/22/71/276762271.db2.gz MEYNPMSGIKFSFM-UHFFFAOYSA-N 0 0 344.440 2.478 40 0 EEABRN CC(=O)N[C@]1(C)CC2(CCN(C(C)=O)CC2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257205859 278184223 /nfs/dbraw/zinc/18/42/23/278184223.db2.gz BAWNSCKJMSXARO-BNEJOLLZSA-N 0 0 336.476 2.487 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccncc2)CC1 ZINC000090635867 278389634 /nfs/dbraw/zinc/38/96/34/278389634.db2.gz KXQHHNRJYINOQB-CQSZACIVSA-N 0 0 335.404 2.150 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CC1)C(=O)Nc1ccc(F)cc12 ZINC000096261744 280214854 /nfs/dbraw/zinc/21/48/54/280214854.db2.gz APGFUNHTKMEZEL-UHFFFAOYSA-N 0 0 325.343 2.347 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)[nH]n1 ZINC000072242603 280352786 /nfs/dbraw/zinc/35/27/86/280352786.db2.gz QDMNRSHJOKLMPO-OAHLLOKOSA-N 0 0 334.383 2.378 40 0 EEABRN CC[C@]1(CO)CCCN1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000190950415 281348789 /nfs/dbraw/zinc/34/87/89/281348789.db2.gz KDHYMTCWZCVWRA-KBXCAEBGSA-N 0 0 343.431 2.275 40 0 EEABRN NC1=NC(=O)[C@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000071974992 295210273 /nfs/dbraw/zinc/21/02/73/295210273.db2.gz WUKJGYZFDTVELF-INIZCTEOSA-N 0 0 344.212 2.332 40 0 EEABRN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)o1 ZINC000225580148 301812171 /nfs/dbraw/zinc/81/21/71/301812171.db2.gz HGFAHIQPQPZXPI-ZIAGYGMSSA-N 0 0 342.461 2.312 40 0 EEABRN NC(=O)N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)c1ccccc12 ZINC000096080262 303263091 /nfs/dbraw/zinc/26/30/91/303263091.db2.gz JOAWUPMLJUEMGM-CQSZACIVSA-N 0 0 343.427 2.015 40 0 EEABRN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000332230355 311973538 /nfs/dbraw/zinc/97/35/38/311973538.db2.gz DFRBCQNLMAPDQI-CQSZACIVSA-N 0 0 327.306 2.021 40 0 EEABRN O=C(c1cc(Br)co1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000332663046 312042491 /nfs/dbraw/zinc/04/24/91/312042491.db2.gz GKUKSDBXNVCKNG-VIFPVBQESA-N 0 0 328.084 2.181 40 0 EEABRN O=C1[C@@H](Nc2ccn(CC(F)(F)F)n2)CCCN1CC(F)(F)F ZINC000097094996 323320534 /nfs/dbraw/zinc/32/05/34/323320534.db2.gz QHEMGIWHUBQBJA-QMMMGPOBSA-N 0 0 344.259 2.411 40 0 EEABRN O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000097378905 323323034 /nfs/dbraw/zinc/32/30/34/323323034.db2.gz JCBSDIOGNQEXTQ-HIFRSBDPSA-N 0 0 327.388 2.346 40 0 EEABRN O=C(N[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000195563984 323515237 /nfs/dbraw/zinc/51/52/37/323515237.db2.gz LFWUQKGLSQYVTQ-OWCLPIDISA-N 0 0 342.420 2.370 40 0 EEABRN Cn1ccc(CCNC(=O)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000390834438 323545507 /nfs/dbraw/zinc/54/55/07/323545507.db2.gz YVTLPJNEZCYRAX-UHFFFAOYSA-N 0 0 329.379 2.125 40 0 EEABRN COc1cccnc1NC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000390833874 323545713 /nfs/dbraw/zinc/54/57/13/323545713.db2.gz OHVVIHRTMYXLEA-AWEZNQCLSA-N 0 0 344.419 2.243 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)NCc2nnc(C(C)C)s2)C[C@H]1C ZINC000252488032 464965080 /nfs/dbraw/zinc/96/50/80/464965080.db2.gz IHQLCWBXGRPKPY-MEBBXXQBSA-N 0 0 340.449 2.002 40 0 EEABRN O=C(CSc1nc(C2CC2)nc2ccccc21)N1CCOCC1 ZINC000000412531 462559004 /nfs/dbraw/zinc/55/90/04/462559004.db2.gz DKXDREISLJPSMB-UHFFFAOYSA-N 0 0 329.425 2.458 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1 ZINC000000796694 462573436 /nfs/dbraw/zinc/57/34/36/462573436.db2.gz HQFHWVCXHVEGJG-OAHLLOKOSA-N 0 0 338.473 2.168 40 0 EEABRN Nc1ncnc(N)c1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001749557 462586927 /nfs/dbraw/zinc/58/69/27/462586927.db2.gz CNGHPFLNTMNWOX-UHFFFAOYSA-N 0 0 335.367 2.472 40 0 EEABRN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000045749982 462613592 /nfs/dbraw/zinc/61/35/92/462613592.db2.gz MFKJTRUQHSCIPQ-OAHLLOKOSA-N 0 0 325.368 2.225 40 0 EEABRN O=C(CSCc1ccc(Cl)cc1)NCCN1CCOCC1 ZINC000045973427 462634405 /nfs/dbraw/zinc/63/44/05/462634405.db2.gz DHZNXCWHVORELG-UHFFFAOYSA-N 0 0 328.865 2.022 40 0 EEABRN CCCc1noc(-c2cc(S(=O)(=O)NC(C)C)ccc2OC)n1 ZINC000046020198 462637513 /nfs/dbraw/zinc/63/75/13/462637513.db2.gz YXQMYPDGLVZKAO-UHFFFAOYSA-N 0 0 339.417 2.384 40 0 EEABRN COc1cccc(C(=O)/C=C(\C)NNC(=O)c2ccccc2O)c1 ZINC000005287536 462653397 /nfs/dbraw/zinc/65/33/97/462653397.db2.gz MCYIQRGNQIXQJU-ZRDIBKRKSA-N 0 0 326.352 2.422 40 0 EEABRN COC(=O)[C@@](O)(c1ccc(NC(=O)c2ccco2)cc1)C(F)(F)F ZINC000005354922 462656907 /nfs/dbraw/zinc/65/69/07/462656907.db2.gz AYYKUZNZEXBEAX-AWEZNQCLSA-N 0 0 343.257 2.455 40 0 EEABRN CCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1N ZINC000005556870 462662716 /nfs/dbraw/zinc/66/27/16/462662716.db2.gz VBLIBAUBFUVQNP-UHFFFAOYSA-N 0 0 325.825 2.247 40 0 EEABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)c1ccccc1)[C@H]1OC(C)(C)O[C@H]21 ZINC000005841823 462671423 /nfs/dbraw/zinc/67/14/23/462671423.db2.gz INTCVMYMFRDPEA-NPJQDHAYSA-N 0 0 334.368 2.266 40 0 EEABRN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006176269 462678897 /nfs/dbraw/zinc/67/88/97/462678897.db2.gz ORMVERZYQCDPQZ-KGLIPLIRSA-N 0 0 332.425 2.231 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000006226240 462679179 /nfs/dbraw/zinc/67/91/79/462679179.db2.gz SCSKFHQCYFLLPB-UHFFFAOYSA-N 0 0 348.476 2.113 40 0 EEABRN Cc1sc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000006679661 462695694 /nfs/dbraw/zinc/69/56/94/462695694.db2.gz AVQZWCVEVQCEQL-UHFFFAOYSA-N 0 0 330.475 2.369 40 0 EEABRN CCC(CC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000046674506 462695927 /nfs/dbraw/zinc/69/59/27/462695927.db2.gz ZXHNTJNVIAAODT-AWEZNQCLSA-N 0 0 338.473 2.392 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NCCC(C)C)cc1 ZINC000006880229 462710220 /nfs/dbraw/zinc/71/02/20/462710220.db2.gz YEUYPFJUPQXAAR-UHFFFAOYSA-N 0 0 340.489 2.470 40 0 EEABRN CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 ZINC000047031489 462737126 /nfs/dbraw/zinc/73/71/26/462737126.db2.gz VNJWMMNOOJWHRU-MRXNPFEDSA-N 0 0 334.441 2.350 40 0 EEABRN CCOCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000008041692 462763951 /nfs/dbraw/zinc/76/39/51/462763951.db2.gz ITVLXQIZFANTCL-UHFFFAOYSA-N 0 0 331.434 2.189 40 0 EEABRN COC(=O)c1ccc(C)c(NC(=O)NCc2nc(C3CC3)no2)c1 ZINC000047351029 462772948 /nfs/dbraw/zinc/77/29/48/462772948.db2.gz AEGWJXGZXROMQI-UHFFFAOYSA-N 0 0 330.344 2.364 40 0 EEABRN CCS[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000076476730 462866040 /nfs/dbraw/zinc/86/60/40/462866040.db2.gz MQFGNVWQBYVIJO-DZGCQCFKSA-N 0 0 338.477 2.176 40 0 EEABRN COc1cc(OC)c(N[C@H]2CCN(C)C2=O)cc1Br ZINC000155614042 462918197 /nfs/dbraw/zinc/91/81/97/462918197.db2.gz NGLMPWHMSPCNGF-VIFPVBQESA-N 0 0 329.194 2.109 40 0 EEABRN CCCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014399295 462926188 /nfs/dbraw/zinc/92/61/88/462926188.db2.gz DJURETXNLPGAPT-UHFFFAOYSA-N 0 0 330.425 2.288 40 0 EEABRN COC(=O)C1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000016985224 462992736 /nfs/dbraw/zinc/99/27/36/462992736.db2.gz YUJHWZDBGIMAKD-UHFFFAOYSA-N 0 0 331.412 2.146 40 0 EEABRN Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)on1 ZINC000050475890 462999959 /nfs/dbraw/zinc/99/99/59/462999959.db2.gz XAMQOJDXHNNAQJ-UHFFFAOYSA-N 0 0 333.413 2.388 40 0 EEABRN Cc1cc(C)nc(N2CCC(CC(=O)NC[C@]3(C)CCCO3)CC2)n1 ZINC000019748361 463021196 /nfs/dbraw/zinc/02/11/96/463021196.db2.gz QFUBHXKXOIMZSY-IBGZPJMESA-N 0 0 346.475 2.385 40 0 EEABRN CCOc1ccc([C@@H](N)c2nc(-c3ccccn3)n[nH]2)cc1OC ZINC000095534249 463107698 /nfs/dbraw/zinc/10/76/98/463107698.db2.gz QGYWUIFHSNJVOC-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN O=C(c1ccnnc1)N1C[C@H](OCC2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096040932 463145205 /nfs/dbraw/zinc/14/52/05/463145205.db2.gz RBULDIBMVMVORY-IKGGRYGDSA-N 0 0 331.416 2.055 40 0 EEABRN COc1ccc(Cl)c(C(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)c1 ZINC000096041963 463146260 /nfs/dbraw/zinc/14/62/60/463146260.db2.gz OMTKDJUZKQKNPS-SOUVJXGZSA-N 0 0 325.792 2.367 40 0 EEABRN Cc1cccc(C(=O)NC[C@@H]2OCCc3cn(CC4CC4)nc32)n1 ZINC000096059761 463159467 /nfs/dbraw/zinc/15/94/67/463159467.db2.gz HEMDEUIHQCZOFQ-INIZCTEOSA-N 0 0 326.400 2.040 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1ccncc1 ZINC000096063888 463162334 /nfs/dbraw/zinc/16/23/34/463162334.db2.gz IJKYFFIEAWGKRA-MSOLQXFVSA-N 0 0 335.407 2.026 40 0 EEABRN O=C(c1ccno1)N1CC[C@@]2(C[C@@H](OCc3ccccc3)CO2)C1 ZINC000096072366 463166270 /nfs/dbraw/zinc/16/62/70/463166270.db2.gz IJCLFKZROBZPJS-CRAIPNDOSA-N 0 0 328.368 2.265 40 0 EEABRN Cc1nc(CO[C@@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)cs1 ZINC000096072413 463167092 /nfs/dbraw/zinc/16/70/92/463167092.db2.gz QCTHLMPVTXGDCB-HOTGVXAUSA-N 0 0 334.445 2.125 40 0 EEABRN CCO[C@@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096106591 463174833 /nfs/dbraw/zinc/17/48/33/463174833.db2.gz FDBHQADWMAXRDO-AWEZNQCLSA-N 0 0 343.427 2.374 40 0 EEABRN O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096109048 463176822 /nfs/dbraw/zinc/17/68/22/463176822.db2.gz DHIBLWFIYPHVMI-XLIONFOSSA-N 0 0 338.407 2.178 40 0 EEABRN Cn1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)n1 ZINC000096109260 463178118 /nfs/dbraw/zinc/17/81/18/463178118.db2.gz ADCFOTJZHPXNDE-APWZRJJASA-N 0 0 340.427 2.274 40 0 EEABRN CC(C)CCN1C[C@H]2CCN(C(=O)C3CCC3)CC[C@H]2S1(=O)=O ZINC000096145569 463185752 /nfs/dbraw/zinc/18/57/52/463185752.db2.gz SGXQEPZRSBVAQM-HZPDHXFCSA-N 0 0 342.505 2.085 40 0 EEABRN O=C(c1cnccn1)N1CCC2(CCN(c3ccsc3)C2=O)CC1 ZINC000096157947 463188419 /nfs/dbraw/zinc/18/84/19/463188419.db2.gz ZLJMCXBAWMGTMA-UHFFFAOYSA-N 0 0 342.424 2.197 40 0 EEABRN COc1c(C(=O)Nc2nnc(C)s2)nnn1Cc1ccc(C)cc1 ZINC000096183332 463195473 /nfs/dbraw/zinc/19/54/73/463195473.db2.gz RIRTWYITZGBSQV-UHFFFAOYSA-N 0 0 344.400 2.056 40 0 EEABRN COc1ccccc1C1=NO[C@](C)(C(=O)Nc2cc(C)nn2C)C1 ZINC000096193058 463201080 /nfs/dbraw/zinc/20/10/80/463201080.db2.gz KYVDQXWWPIEZLD-KRWDZBQOSA-N 0 0 328.372 2.259 40 0 EEABRN Cc1cccc(CN2CCn3cc(CNC(=O)CC4CC4)nc3C2)n1 ZINC000096197422 463202754 /nfs/dbraw/zinc/20/27/54/463202754.db2.gz XBHFODDJJRVVBQ-UHFFFAOYSA-N 0 0 339.443 2.019 40 0 EEABRN CC(C)(C)C(=O)N1CCC2(C[C@@H](NC(=O)c3ccccn3)CO2)CC1 ZINC000096221204 463217529 /nfs/dbraw/zinc/21/75/29/463217529.db2.gz SVVOJQWLXWFBRH-CQSZACIVSA-N 0 0 345.443 2.008 40 0 EEABRN c1cncc(CNc2ccnc([C@H]3COCCN3CC3CC3)n2)c1 ZINC000096220169 463217879 /nfs/dbraw/zinc/21/78/79/463217879.db2.gz HRBSGGROCXJKPP-MRXNPFEDSA-N 0 0 325.416 2.267 40 0 EEABRN O=C(c1ccncc1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221713 463218219 /nfs/dbraw/zinc/21/82/19/463218219.db2.gz STVNBAFYJLECJB-QGZVFWFLSA-N 0 0 339.395 2.319 40 0 EEABRN Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)NC4CC4)C3)C2=O)n1 ZINC000096224707 463220782 /nfs/dbraw/zinc/22/07/82/463220782.db2.gz MJAHZGJUOFMUFN-LJQANCHMSA-N 0 0 342.443 2.077 40 0 EEABRN Cc1nc(CN2CCC[C@@]3(C2)CN(C(=O)C2CCC2)CCO3)cs1 ZINC000096226708 463221447 /nfs/dbraw/zinc/22/14/47/463221447.db2.gz BEYGVZNSGMKCBB-GOSISDBHSA-N 0 0 349.500 2.445 40 0 EEABRN c1cnc(N2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096250043 463226366 /nfs/dbraw/zinc/22/63/66/463226366.db2.gz PHUASLJELSLMJX-IXDOHACOSA-N 0 0 326.400 2.072 40 0 EEABRN Fc1cccc(N2CCc3ncnc(N4CCOCC4)c3CC2)c1 ZINC000096255714 463228453 /nfs/dbraw/zinc/22/84/53/463228453.db2.gz GCBFXXSIVUNDLM-UHFFFAOYSA-N 0 0 328.391 2.058 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]32)C(=O)N1C ZINC000096261409 463231707 /nfs/dbraw/zinc/23/17/07/463231707.db2.gz QOGXIGCVDSLLSE-ZRGWGRIASA-N 0 0 340.427 2.498 40 0 EEABRN Cn1c2c(nc1C(=O)Nc1ccccc1F)CN(C(=O)C1CC1)CC2 ZINC000096264859 463231864 /nfs/dbraw/zinc/23/18/64/463231864.db2.gz NGRSBVJJZDDLPK-UHFFFAOYSA-N 0 0 342.374 2.106 40 0 EEABRN CC(=O)Cc1csc(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)n1 ZINC000096306143 463234299 /nfs/dbraw/zinc/23/42/99/463234299.db2.gz DITVPYNSNIYVBP-AWEZNQCLSA-N 0 0 344.392 2.303 40 0 EEABRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCNC(=O)C1CC1 ZINC000096403482 463238217 /nfs/dbraw/zinc/23/82/17/463238217.db2.gz OXPBLXKWRQGYFQ-JTQLQIEISA-N 0 0 344.333 2.115 40 0 EEABRN Cc1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404372 463239299 /nfs/dbraw/zinc/23/92/99/463239299.db2.gz NVVVDMMFSGCYLY-OZAJXLCCSA-N 0 0 344.436 2.370 40 0 EEABRN O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000096408068 463241533 /nfs/dbraw/zinc/24/15/33/463241533.db2.gz PKWIURQUUSQOGX-HNNXBMFYSA-N 0 0 338.411 2.003 40 0 EEABRN Cc1cccc(C(=O)N2CCN(c3nncc4ccccc43)CC2)n1 ZINC000096418515 463250086 /nfs/dbraw/zinc/25/00/86/463250086.db2.gz GHNIZEKNXSTSQH-UHFFFAOYSA-N 0 0 333.395 2.296 40 0 EEABRN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000096418269 463250365 /nfs/dbraw/zinc/25/03/65/463250365.db2.gz FSRCGZATULORIX-BMGDILEWSA-N 0 0 344.455 2.277 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000096422348 463252839 /nfs/dbraw/zinc/25/28/39/463252839.db2.gz CNEQEYQXOSSCPY-QKCSRTOESA-N 0 0 340.395 2.058 40 0 EEABRN CN(CCOC[C@@H]1CCCO1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000096421107 463253236 /nfs/dbraw/zinc/25/32/36/463253236.db2.gz MTNOJOFSVBNKLF-HNNXBMFYSA-N 0 0 328.359 2.031 40 0 EEABRN O=C(CCCn1cncn1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423809 463254126 /nfs/dbraw/zinc/25/41/26/463254126.db2.gz WVZXMJKRAGOYEL-AWEZNQCLSA-N 0 0 347.850 2.497 40 0 EEABRN CC(=O)N[C@H](C)C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC000096423494 463254282 /nfs/dbraw/zinc/25/42/82/463254282.db2.gz YXEAKXFYDGXVGE-SNVBAGLBSA-N 0 0 341.249 2.411 40 0 EEABRN CN(CCn1cccn1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000096424521 463255255 /nfs/dbraw/zinc/25/52/55/463255255.db2.gz FCPJHLJLVSKNCA-UHFFFAOYSA-N 0 0 325.315 2.345 40 0 EEABRN CCNC(=O)N1CCc2ccc(NC(=O)CCn3cc(C)cn3)cc21 ZINC000096425345 463255424 /nfs/dbraw/zinc/25/54/24/463255424.db2.gz DUUCTWIDPKQNTP-UHFFFAOYSA-N 0 0 341.415 2.312 40 0 EEABRN CN(Cc1ccncc1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096427666 463257104 /nfs/dbraw/zinc/25/71/04/463257104.db2.gz BGNWJTXVRFNZLR-UHFFFAOYSA-N 0 0 346.387 2.227 40 0 EEABRN C[C@@H](C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000096432218 463261333 /nfs/dbraw/zinc/26/13/33/463261333.db2.gz HUUOYOYCVHJFDM-PWSUYJOCSA-N 0 0 339.442 2.046 40 0 EEABRN CC(C)(C)CCCC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000096432226 463261479 /nfs/dbraw/zinc/26/14/79/463261479.db2.gz JDZLOCHJSUJZPL-LBPRGKRZSA-N 0 0 327.450 2.398 40 0 EEABRN CC1(C)CCN(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)C1 ZINC000096434309 463262252 /nfs/dbraw/zinc/26/22/52/463262252.db2.gz MACHKEZJEPAVLU-INIZCTEOSA-N 0 0 344.459 2.400 40 0 EEABRN CC(C)[C@@H](NC(=O)N1C[C@@H](C)S[C@@H](C)C1)c1nnc2n1CCC2 ZINC000096440024 463266084 /nfs/dbraw/zinc/26/60/84/463266084.db2.gz JYHAJWRYGCGVCY-MBNYWOFBSA-N 0 0 337.493 2.457 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCCCc2nc(C)no2)C12CCCC2 ZINC000096439742 463266246 /nfs/dbraw/zinc/26/62/46/463266246.db2.gz RITBUXKUTAAZJE-ZIAGYGMSSA-N 0 0 336.436 2.348 40 0 EEABRN O=C(CNC(=O)[C@@H]1CCCOC1)N1CCC(Cc2ccccc2)CC1 ZINC000096445596 463271340 /nfs/dbraw/zinc/27/13/40/463271340.db2.gz DDTCMWKEMYBTBI-GOSISDBHSA-N 0 0 344.455 2.011 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000096451341 463272794 /nfs/dbraw/zinc/27/27/94/463272794.db2.gz FTLULOMLLQVHHM-UHFFFAOYSA-N 0 0 348.449 2.348 40 0 EEABRN CCOc1cccnc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000096451161 463273147 /nfs/dbraw/zinc/27/31/47/463273147.db2.gz JFTHBZNSKKZAKU-UHFFFAOYSA-N 0 0 331.441 2.500 40 0 EEABRN Cn1cccc1[C@@H]1CCCN1C(=O)CCOc1ccccc1C(N)=O ZINC000096455522 463275286 /nfs/dbraw/zinc/27/52/86/463275286.db2.gz OPFYUQDZCUFLFB-INIZCTEOSA-N 0 0 341.411 2.257 40 0 EEABRN CCS[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000096456067 463275520 /nfs/dbraw/zinc/27/55/20/463275520.db2.gz CSLUQUYJNKVPJJ-JKSUJKDBSA-N 0 0 345.472 2.385 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN(C)c1ccccc1 ZINC000096461567 463276978 /nfs/dbraw/zinc/27/69/78/463276978.db2.gz CNANSTZWLKCPSI-HNNXBMFYSA-N 0 0 342.447 2.111 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000096473383 463278551 /nfs/dbraw/zinc/27/85/51/463278551.db2.gz UZGXWVOABFDCDO-VXGBXAGGSA-N 0 0 333.392 2.221 40 0 EEABRN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000096473689 463279014 /nfs/dbraw/zinc/27/90/14/463279014.db2.gz LZILEULNGYRGDU-CVEARBPZSA-N 0 0 332.448 2.487 40 0 EEABRN CCC(=O)N1CC[C@H](NC(=O)NCc2c(F)c(F)cc(F)c2F)C1 ZINC000096475282 463280471 /nfs/dbraw/zinc/28/04/71/463280471.db2.gz KWUTVVUFOPNLLM-QMMMGPOBSA-N 0 0 347.312 2.053 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)s1 ZINC000096484901 463284240 /nfs/dbraw/zinc/28/42/40/463284240.db2.gz ROFASEZOCAFGSO-GFCCVEGCSA-N 0 0 334.397 2.467 40 0 EEABRN C[C@@H](CNC(=O)NCc1ccccc1N1CCCCC1)[S@@](C)=O ZINC000096499834 463290280 /nfs/dbraw/zinc/29/02/80/463290280.db2.gz HRCOEHLOYPUVHK-PSLXWICFSA-N 0 0 337.489 2.243 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097095032 463321366 /nfs/dbraw/zinc/32/13/66/463321366.db2.gz BIMONDGRLNDIBV-CMPLNLGQSA-N 0 0 330.787 2.160 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097095033 463321869 /nfs/dbraw/zinc/32/18/69/463321869.db2.gz BIMONDGRLNDIBV-ZYHUDNBSSA-N 0 0 330.787 2.160 40 0 EEABRN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000097104479 463325050 /nfs/dbraw/zinc/32/50/50/463325050.db2.gz LMHWEISDEBSTLW-BXUZGUMPSA-N 0 0 338.454 2.407 40 0 EEABRN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@](C)(O3)[C@@H]2C1=O ZINC000032138803 463366213 /nfs/dbraw/zinc/36/62/13/463366213.db2.gz BGKPLIMRLZNFRS-DRMAHVMPSA-N 0 0 341.363 2.121 40 0 EEABRN O=C(CN1CC(c2nc(C3CC3)no2)C1)NCc1ccccc1Cl ZINC000070636996 463377766 /nfs/dbraw/zinc/37/77/66/463377766.db2.gz NFSWWIFUTHXBFI-UHFFFAOYSA-N 0 0 346.818 2.316 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 ZINC000041184670 463472132 /nfs/dbraw/zinc/47/21/32/463472132.db2.gz MHTHWGBESTZIAS-UHFFFAOYSA-N 0 0 348.834 2.487 40 0 EEABRN C[C@]1(C(=O)NCCc2ccco2)Oc2ccc(Cl)cc2NC1=O ZINC000041549633 463493545 /nfs/dbraw/zinc/49/35/45/463493545.db2.gz FVFICNQQHMEMNJ-MRXNPFEDSA-N 0 0 334.759 2.382 40 0 EEABRN C[C@H](C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1)N1CCCCC1=O ZINC000072542435 463518075 /nfs/dbraw/zinc/51/80/75/463518075.db2.gz GXKTVAPEBGGUOW-INMHGKMJSA-N 0 0 330.428 2.376 40 0 EEABRN C[C@H]1SCCN(Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199068 463539268 /nfs/dbraw/zinc/53/92/68/463539268.db2.gz IHDVKLHDXWFRFI-IUODEOHRSA-N 0 0 344.488 2.198 40 0 EEABRN CCN(CC)C(=O)CCNC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000058165882 463546454 /nfs/dbraw/zinc/54/64/54/463546454.db2.gz JYUJIJDAROLQKH-HNNXBMFYSA-N 0 0 335.448 2.320 40 0 EEABRN CCOCC[S@@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000083954519 463568736 /nfs/dbraw/zinc/56/87/36/463568736.db2.gz ANQGCDPMXHRXCO-SFHVURJKSA-N 0 0 331.235 2.382 40 0 EEABRN CCOc1ccc(-c2nc(C)c(C(=O)NCCNC(C)=O)s2)cc1 ZINC000043804359 463656855 /nfs/dbraw/zinc/65/68/55/463656855.db2.gz ZBYMPNXVCSMUTJ-UHFFFAOYSA-N 0 0 347.440 2.383 40 0 EEABRN Cc1nnc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)s1 ZINC000044204429 463670487 /nfs/dbraw/zinc/67/04/87/463670487.db2.gz UUCINTHKPKNQIY-DOMZBBRYSA-N 0 0 345.424 2.393 40 0 EEABRN CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000044870662 463697193 /nfs/dbraw/zinc/69/71/93/463697193.db2.gz CYMNJGMGJMVLTQ-UHFFFAOYSA-N 0 0 336.388 2.006 40 0 EEABRN CCOC(=O)C1=C(n2cnnn2)[C@H](c2ccccc2)C(=S)S1 ZINC000257173071 463756671 /nfs/dbraw/zinc/75/66/71/463756671.db2.gz CAYOBZPEPAUXGX-JTQLQIEISA-N 0 0 332.410 2.263 40 0 EEABRN COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CC[N@@H+]3CC(=O)[O-])O[C@@H]21 ZINC000257292061 463765122 /nfs/dbraw/zinc/76/51/22/463765122.db2.gz QJUFMDALVMICMB-OEUWWYETSA-N 0 0 347.411 2.471 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2ccc(OC)nc2)nc(C)n1 ZINC000257297780 463767694 /nfs/dbraw/zinc/76/76/94/463767694.db2.gz RITKTSMSUQQRIV-CQSZACIVSA-N 0 0 327.388 2.208 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)[C@H]1O ZINC000257301577 463768694 /nfs/dbraw/zinc/76/86/94/463768694.db2.gz RZAODPAXIYBRIK-XNRPHZJLSA-N 0 0 334.347 2.139 40 0 EEABRN C[C@]1(c2nccc(CN(CCO)Cc3ccccc3)n2)CCCO1 ZINC000257314825 463774697 /nfs/dbraw/zinc/77/46/97/463774697.db2.gz UYQGVXMCCWVSSE-LJQANCHMSA-N 0 0 327.428 2.497 40 0 EEABRN c1ccc(N2CCN(Cc3ccnc([C@@H]4CCCO4)n3)CC2)nc1 ZINC000257317869 463775603 /nfs/dbraw/zinc/77/56/03/463775603.db2.gz VLNSNBMTMWDEEU-INIZCTEOSA-N 0 0 325.416 2.045 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000257321417 463776896 /nfs/dbraw/zinc/77/68/96/463776896.db2.gz WBPGZDJIFGMIHR-KRWDZBQOSA-N 0 0 345.374 2.211 40 0 EEABRN O=C(c1cc2ccccc2[nH]1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257334043 463782836 /nfs/dbraw/zinc/78/28/36/463782836.db2.gz YEHFZQGLCJOLMF-INIZCTEOSA-N 0 0 336.395 2.432 40 0 EEABRN Nc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)cc2ccnn21 ZINC000257334882 463782852 /nfs/dbraw/zinc/78/28/52/463782852.db2.gz YHTWUVNKUOZBAD-CYBMUJFWSA-N 0 0 339.374 2.470 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(Cc3csc(C)n3)CC[C@H]21 ZINC000257337481 463784699 /nfs/dbraw/zinc/78/46/99/463784699.db2.gz YSZBIULYSLTEBS-GOEBONIOSA-N 0 0 337.489 2.301 40 0 EEABRN O=C(NCc1ccc(OCc2ccccc2F)cc1)[C@@H]1CCC(=O)N1 ZINC000185789785 463880217 /nfs/dbraw/zinc/88/02/17/463880217.db2.gz VVDXBVXJUXBCOV-KRWDZBQOSA-N 0 0 342.370 2.300 40 0 EEABRN Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2c[nH]nc2C)c(C)s1 ZINC000195553829 464076117 /nfs/dbraw/zinc/07/61/17/464076117.db2.gz WDHWNFSYITYKNM-SNVBAGLBSA-N 0 0 342.490 2.026 40 0 EEABRN CN(CC1(CO)CC1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000187370021 464122709 /nfs/dbraw/zinc/12/27/09/464122709.db2.gz JFUCAYMFBRBSLE-UHFFFAOYSA-N 0 0 328.416 2.285 40 0 EEABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CC ZINC000222904844 464134628 /nfs/dbraw/zinc/13/46/28/464134628.db2.gz QLHGOWOTCIXHIQ-CQSZACIVSA-N 0 0 338.423 2.496 40 0 EEABRN CN(Cc1ccccc1F)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000223026186 464136335 /nfs/dbraw/zinc/13/63/35/464136335.db2.gz ADJPLIUXBQMTLK-UHFFFAOYSA-N 0 0 336.344 2.081 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000223288097 464141021 /nfs/dbraw/zinc/14/10/21/464141021.db2.gz FKHAKEARRBQXGO-NYYWCZLTSA-N 0 0 334.372 2.386 40 0 EEABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000223320344 464141250 /nfs/dbraw/zinc/14/12/50/464141250.db2.gz IKMYTFRTPYCPKJ-UHFFFAOYSA-N 0 0 332.381 2.250 40 0 EEABRN COc1ccccc1OCCNS(=O)(=O)Cc1ccccc1F ZINC000224182983 464148863 /nfs/dbraw/zinc/14/88/63/464148863.db2.gz VYFARQXQIQWMKI-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc2sc1=O ZINC000225235608 464153980 /nfs/dbraw/zinc/15/39/80/464153980.db2.gz QBTDABPJEJNHPA-JTQLQIEISA-N 0 0 328.459 2.406 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c(C)o1 ZINC000225400993 464156913 /nfs/dbraw/zinc/15/69/13/464156913.db2.gz LXAHRRSAKAWMPF-ZDUSSCGKSA-N 0 0 330.388 2.046 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3OCCc4ccccc43)C2)nn1 ZINC000225429780 464159731 /nfs/dbraw/zinc/15/97/31/464159731.db2.gz MFVSCWDFDTYRRC-MAUKXSAKSA-N 0 0 339.395 2.079 40 0 EEABRN CCOC(=O)c1ccc(SC[C@@H]2CCCS(=O)(=O)C2)nc1 ZINC000225441413 464160138 /nfs/dbraw/zinc/16/01/38/464160138.db2.gz NMETUYZDFVNLGO-NSHDSACASA-N 0 0 329.443 2.175 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n[nH]1 ZINC000225559846 464172197 /nfs/dbraw/zinc/17/21/97/464172197.db2.gz LLLIKWGIWFPBOB-UHFFFAOYSA-N 0 0 337.383 2.010 40 0 EEABRN CCN(CC)S(=O)(=O)CCNC(=O)c1cccc(Cl)c1C ZINC000225590388 464173424 /nfs/dbraw/zinc/17/34/24/464173424.db2.gz HDYDAUKYHLVTPZ-UHFFFAOYSA-N 0 0 332.853 2.050 40 0 EEABRN COc1cc(C)n(CCNC(=O)Nc2c(F)cccc2F)c(=O)c1 ZINC000225616502 464176244 /nfs/dbraw/zinc/17/62/44/464176244.db2.gz JLCAVEMANWZIPI-UHFFFAOYSA-N 0 0 337.326 2.265 40 0 EEABRN COc1ccc2ccccc2c1CCC(=O)N1CC(n2ccnn2)C1 ZINC000225691882 464180263 /nfs/dbraw/zinc/18/02/63/464180263.db2.gz PXUMTQNRSOTFCJ-UHFFFAOYSA-N 0 0 336.395 2.456 40 0 EEABRN CN(C)S(=O)(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000225755537 464181822 /nfs/dbraw/zinc/18/18/22/464181822.db2.gz SVBRNKSOBVUQTP-LBPRGKRZSA-N 0 0 340.342 2.382 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@](C)(OC)C1 ZINC000280148520 464190850 /nfs/dbraw/zinc/19/08/50/464190850.db2.gz CGIPQXVVFFHPEJ-CQSZACIVSA-N 0 0 347.458 2.033 40 0 EEABRN C[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H]1C)c1nc2ccccc2s1 ZINC000230480380 464204382 /nfs/dbraw/zinc/20/43/82/464204382.db2.gz VOLCGUGKXOIBJE-UHIISALHSA-N 0 0 340.470 2.497 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000239611696 464444327 /nfs/dbraw/zinc/44/43/27/464444327.db2.gz FAWRCHILMMTXJL-JOCQHMNTSA-N 0 0 334.351 2.341 40 0 EEABRN C[C@]1(O)CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000241132912 464450548 /nfs/dbraw/zinc/45/05/48/464450548.db2.gz JNCGAOVNWGQTDH-WMZOPIPTSA-N 0 0 338.398 2.303 40 0 EEABRN CCC[C@]12CCCN1C(=O)N([C@H]1CCN(c3ccccn3)C1)C2=O ZINC000241161342 464450643 /nfs/dbraw/zinc/45/06/43/464450643.db2.gz JZYLHQAEOGEZIQ-KBXCAEBGSA-N 0 0 328.416 2.257 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(C)(=O)=O)[C@H]1c1ccc(CC)cc1 ZINC000242548105 464458005 /nfs/dbraw/zinc/45/80/05/464458005.db2.gz LCZAPBOJZZRJPU-FMKPAKJESA-N 0 0 341.498 2.068 40 0 EEABRN Cc1n[nH]cc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000265392366 464542277 /nfs/dbraw/zinc/54/22/77/464542277.db2.gz DFIPWAPKQXZFFX-VIFPVBQESA-N 0 0 344.198 2.195 40 0 EEABRN CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000189965230 464573985 /nfs/dbraw/zinc/57/39/85/464573985.db2.gz UYVOYCMNGCRBFT-CYBMUJFWSA-N 0 0 328.771 2.445 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000285571941 464612798 /nfs/dbraw/zinc/61/27/98/464612798.db2.gz SOIBDZSFRRMIBJ-UHFFFAOYSA-N 0 0 343.475 2.446 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCCc2cscn2)n1 ZINC000190326644 464621614 /nfs/dbraw/zinc/62/16/14/464621614.db2.gz JXUINVZGPSNBED-GFCCVEGCSA-N 0 0 338.458 2.234 40 0 EEABRN O=C(c1ccco1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 ZINC000247798774 464706814 /nfs/dbraw/zinc/70/68/14/464706814.db2.gz DSBBELTTXCDQCI-DZKIICNBSA-N 0 0 328.368 2.231 40 0 EEABRN CCOC[C@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 ZINC000247919737 464714764 /nfs/dbraw/zinc/71/47/64/464714764.db2.gz XDNGLHCDHLRNQN-MRXNPFEDSA-N 0 0 347.390 2.193 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N[C@H]3[C@@H]4CCCC[C@@H]43)cc2sc1=O ZINC000248084959 464730086 /nfs/dbraw/zinc/73/00/86/464730086.db2.gz RBPMKHVDKGOOTD-YABSGUDNSA-N 0 0 338.454 2.067 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@@H](CCOc2ccccn2)CCO3)cn1 ZINC000248130456 464732464 /nfs/dbraw/zinc/73/24/64/464732464.db2.gz MYFXKCPSFNXKGH-INIZCTEOSA-N 0 0 342.443 2.265 40 0 EEABRN C[C@@H](CNC(=O)N1CCc2cc(Cl)ccc2C1)N1CCOCC1 ZINC000190978992 464754279 /nfs/dbraw/zinc/75/42/79/464754279.db2.gz MDKGKSSXTOZLCU-ZDUSSCGKSA-N 0 0 337.851 2.128 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@H]1Cc3ccccc31)CC2 ZINC000249424609 464874273 /nfs/dbraw/zinc/87/42/73/464874273.db2.gz IIGCCPYLOJSSBO-BPQIPLTHSA-N 0 0 344.455 2.288 40 0 EEABRN CCc1onc(C)c1NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000192374453 464914795 /nfs/dbraw/zinc/91/47/95/464914795.db2.gz GPSXGRIKJLCJTE-AWEZNQCLSA-N 0 0 333.392 2.367 40 0 EEABRN CCOC(=O)C[C@H](C)N(C)C(=O)c1ncc(Br)s1 ZINC000192444902 464925549 /nfs/dbraw/zinc/92/55/49/464925549.db2.gz ZYXVERSKHPPFAA-ZETCQYMHSA-N 0 0 335.223 2.319 40 0 EEABRN COC[C@H](NC(=O)NCCc1ccc2[nH]ccc2c1)[C@@H]1CCCO1 ZINC000252485345 464963629 /nfs/dbraw/zinc/96/36/29/464963629.db2.gz GRTVWAPRKMUUIX-IRXDYDNUSA-N 0 0 331.416 2.204 40 0 EEABRN CSc1nn(C)c(NC(=O)[C@H]2CCCC(F)(F)C2)c1C(N)=O ZINC000252499209 464971395 /nfs/dbraw/zinc/97/13/95/464971395.db2.gz RXCQWURPLSAGOV-ZETCQYMHSA-N 0 0 332.376 2.005 40 0 EEABRN Cc1noc(CCCNC(=O)c2ccnc(OC3CCCC3)c2)n1 ZINC000252507500 464973825 /nfs/dbraw/zinc/97/38/25/464973825.db2.gz WNHKZRREJCZHQI-UHFFFAOYSA-N 0 0 330.388 2.457 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000253395061 464998724 /nfs/dbraw/zinc/99/87/24/464998724.db2.gz IZJUGQSZFZKQRW-NEPJUHHUSA-N 0 0 330.812 2.408 40 0 EEABRN C[C@H]1CN(C(=O)NCC2CCC(F)(F)CC2)C[C@]2(CCOC2)O1 ZINC000253397741 465000257 /nfs/dbraw/zinc/00/02/57/465000257.db2.gz SUWXFCOMCVYMKD-WFASDCNBSA-N 0 0 332.391 2.401 40 0 EEABRN CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000253411649 465003199 /nfs/dbraw/zinc/00/31/99/465003199.db2.gz RGVHNHDIYSVSPX-LBPRGKRZSA-N 0 0 348.834 2.491 40 0 EEABRN O=C(NCc1cc2cc(F)ccc2s1)N1CCN2CCOC[C@@H]2C1 ZINC000253419808 465007734 /nfs/dbraw/zinc/00/77/34/465007734.db2.gz SGSAVXPZEIKVMC-AWEZNQCLSA-N 0 0 349.431 2.266 40 0 EEABRN CO[C@@]1(C)CCCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000253428946 465012732 /nfs/dbraw/zinc/01/27/32/465012732.db2.gz OAULVZYBDCKRKW-SFHVURJKSA-N 0 0 343.431 2.368 40 0 EEABRN CO[C@H](C)C(=O)Nc1ccccc1C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000192990659 465020668 /nfs/dbraw/zinc/02/06/68/465020668.db2.gz ZOJYPDCVFSEVKB-ZIAGYGMSSA-N 0 0 348.443 2.401 40 0 EEABRN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000331532820 466127374 /nfs/dbraw/zinc/12/73/74/466127374.db2.gz SOGIUDFXLFJLCN-HFBAOOFYSA-N 0 0 336.480 2.404 40 0 EEABRN O=C(C1CC(F)(F)C1)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000306135586 466492271 /nfs/dbraw/zinc/49/22/71/466492271.db2.gz OVGLXPYGFYKMNH-ZDUSSCGKSA-N 0 0 338.354 2.266 40 0 EEABRN COCCn1ccnc1[C@@H]1CN(C(=O)C2CC2)Cc2ccccc21 ZINC000306143601 466494755 /nfs/dbraw/zinc/49/47/55/466494755.db2.gz YGQXYNXFEMCEMD-QGZVFWFLSA-N 0 0 325.412 2.414 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2COCc1ccncc1)C1(F)CCC1 ZINC000306144266 466494807 /nfs/dbraw/zinc/49/48/07/466494807.db2.gz ZASKJUGZXRGFRR-OAHLLOKOSA-N 0 0 334.391 2.108 40 0 EEABRN O=S1(=O)NCc2cnnn2-c2ccc(-c3ccc(F)cc3F)cc21 ZINC000306143546 466494814 /nfs/dbraw/zinc/49/48/14/466494814.db2.gz YFGHOFSEFDCKKP-UHFFFAOYSA-N 0 0 348.334 2.004 40 0 EEABRN O=C(NCCO)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408981062 466684620 /nfs/dbraw/zinc/68/46/20/466684620.db2.gz YQCFCNRPQXNORE-UHFFFAOYSA-N 0 0 347.378 2.342 40 0 EEABRN COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1 ZINC000409190336 466686965 /nfs/dbraw/zinc/68/69/65/466686965.db2.gz XCLQDZMXVXVGAV-UKTHLTGXSA-N 0 0 326.308 2.256 40 0 EEABRN O=C(Cn1nnc2ccccc21)NCCc1c[nH]c2ccc(F)cc12 ZINC000390833030 467413886 /nfs/dbraw/zinc/41/38/86/467413886.db2.gz AVFIDWUETGPPTI-UHFFFAOYSA-N 0 0 337.358 2.411 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575405663 468141464 /nfs/dbraw/zinc/14/14/64/468141464.db2.gz ZHFYQCUEKLAZIR-BPLDGKMQSA-N 0 0 325.474 2.172 40 0 EEABRN O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(C2CC2)on1 ZINC000575609621 468147453 /nfs/dbraw/zinc/14/74/53/468147453.db2.gz YDMZINMETIWANL-UHFFFAOYSA-N 0 0 326.356 2.004 40 0 EEABRN Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2CC2CCC2)n1 ZINC000585094616 468962990 /nfs/dbraw/zinc/96/29/90/468962990.db2.gz FPSGNKHQGVJUCJ-OAHLLOKOSA-N 0 0 327.432 2.124 40 0 EEABRN C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)c1ccoc1 ZINC000585097870 468965383 /nfs/dbraw/zinc/96/53/83/468965383.db2.gz SLMWAAQDZHTEOJ-GFCCVEGCSA-N 0 0 339.355 2.062 40 0 EEABRN O=C(N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1)C1(F)CCC1 ZINC000585100945 468968418 /nfs/dbraw/zinc/96/84/18/468968418.db2.gz KMUGFDZATOJWQE-SFHVURJKSA-N 0 0 345.418 2.315 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cc(C)ccc1C)C2 ZINC000585104038 468972247 /nfs/dbraw/zinc/97/22/47/468972247.db2.gz VKHVHYRVLGYQQY-QGZVFWFLSA-N 0 0 337.485 2.329 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)s1 ZINC000585110848 468973665 /nfs/dbraw/zinc/97/36/65/468973665.db2.gz PTWCXWANEHACLV-AWEZNQCLSA-N 0 0 332.473 2.414 40 0 EEABRN CC1CCN(C(=O)[C@H]2CN(Cc3ccco3)Cc3ncn(C)c32)CC1 ZINC000585110869 468974028 /nfs/dbraw/zinc/97/40/28/468974028.db2.gz RSTZXGNTBPDDDM-INIZCTEOSA-N 0 0 342.443 2.371 40 0 EEABRN COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(C)cc1)C2 ZINC000585112192 468974813 /nfs/dbraw/zinc/97/48/13/468974813.db2.gz MPPYIBPECRHCEN-AWEZNQCLSA-N 0 0 343.427 2.306 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)s1 ZINC000585110929 468974895 /nfs/dbraw/zinc/97/48/95/468974895.db2.gz ZWUAHZSFQVPCFA-CQSZACIVSA-N 0 0 330.457 2.122 40 0 EEABRN Fc1cnc(NC2CCN(c3cc4c(nn3)CCCC4)CC2)nc1 ZINC000585149407 468993941 /nfs/dbraw/zinc/99/39/41/468993941.db2.gz PBJSQCVHVQQMGU-UHFFFAOYSA-N 0 0 328.395 2.365 40 0 EEABRN O=C(c1ccccc1F)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585269423 468997540 /nfs/dbraw/zinc/99/75/40/468997540.db2.gz SWDLKPUIQZJDPP-IBGZPJMESA-N 0 0 345.370 2.108 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)nc1 ZINC000585275569 468998776 /nfs/dbraw/zinc/99/87/76/468998776.db2.gz DCJVHJAZMSBIAO-IBGZPJMESA-N 0 0 344.386 2.114 40 0 EEABRN CNc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 ZINC000585276882 469001481 /nfs/dbraw/zinc/00/14/81/469001481.db2.gz PJSCYCWUWDRCGN-IRXDYDNUSA-N 0 0 343.402 2.471 40 0 EEABRN COc1cc(C(=O)N2CC[C@](O)(COc3cccc(C)c3)C2)ccn1 ZINC000585277015 469002273 /nfs/dbraw/zinc/00/22/73/469002273.db2.gz RJEFZBPRQVXOBO-LJQANCHMSA-N 0 0 342.395 2.055 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)c2nccn2C)C1 ZINC000585279284 469005169 /nfs/dbraw/zinc/00/51/69/469005169.db2.gz YWEMDSWZUZDGGH-GOSISDBHSA-N 0 0 329.400 2.039 40 0 EEABRN CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N(C)Cc1ccccc1C ZINC000585280424 469007733 /nfs/dbraw/zinc/00/77/33/469007733.db2.gz ISGRAJNIZJZALD-QZTJIDSGSA-N 0 0 332.444 2.227 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H]2O)ccn1 ZINC000585285837 469010004 /nfs/dbraw/zinc/01/00/04/469010004.db2.gz SKXRWAOXJMBWGC-ZTFGCOKTSA-N 0 0 344.386 2.477 40 0 EEABRN O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000662219158 472033956 /nfs/dbraw/zinc/03/39/56/472033956.db2.gz MCRPMDMIRYGHPT-SJKOYZFVSA-N 0 0 345.424 2.420 40 0 EEABRN Cc1cc(NC(=O)C(=O)N(c2cccc(N)c2)C2CCCC2)n(C)n1 ZINC000189572384 533921474 /nfs/dbraw/zinc/92/14/74/533921474.db2.gz MBUTUAKREIQSKU-UHFFFAOYSA-N 0 0 341.415 2.225 40 0 EEABRN O=C(Nc1ccncc1F)NC1CCN(C(=O)c2ccco2)CC1 ZINC000184141735 534423446 /nfs/dbraw/zinc/42/34/46/534423446.db2.gz VUGPTERPKCGGDF-UHFFFAOYSA-N 0 0 332.335 2.240 40 0 EEABRN CN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cscn2)c1 ZINC000096484134 524022434 /nfs/dbraw/zinc/02/24/34/524022434.db2.gz UHYZVVGVZFYHOD-UHFFFAOYSA-N 0 0 336.392 2.348 40 0 EEABRN C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCOC[C@H]1CCCO1 ZINC000096406826 524885334 /nfs/dbraw/zinc/88/53/34/524885334.db2.gz ZDQMKQOEISAQQG-QWHCGFSZSA-N 0 0 342.386 2.391 40 0 EEABRN Cc1ncc2c(n1)CC[C@H](NC(=O)N[C@H](C)c1cccc(O)c1)C2 ZINC000363528050 527319385 /nfs/dbraw/zinc/31/93/85/527319385.db2.gz OGDNKQFVJSDYRS-ABAIWWIYSA-N 0 0 326.400 2.408 40 0 EEABRN CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1OCC ZINC000408701554 528375496 /nfs/dbraw/zinc/37/54/96/528375496.db2.gz ZPOZEBIOWZBVOV-UHFFFAOYSA-N 0 0 340.445 2.010 40 0 EEABRN CC(C)C[C@]1(CO)CCCN1C(=O)NCc1cccnc1N(C)C ZINC000190064834 528618570 /nfs/dbraw/zinc/61/85/70/528618570.db2.gz VEGBAYRLCPVKTB-SFHVURJKSA-N 0 0 334.464 2.230 40 0 EEABRN CCCCc1nc(CN2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c[nH]1 ZINC000257230688 535102428 /nfs/dbraw/zinc/10/24/28/535102428.db2.gz GDLLMXUJYMMKOR-HNNXBMFYSA-N 0 0 331.420 2.130 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2cc3cccc(C)c3oc2=O)CC1 ZINC000226035470 535776572 /nfs/dbraw/zinc/77/65/72/535776572.db2.gz WFWNBMZJTNUBNU-UHFFFAOYSA-N 0 0 344.367 2.016 40 0 EEABRN CCn1cc(CN2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c(C)n1 ZINC000257231195 536050527 /nfs/dbraw/zinc/05/05/27/536050527.db2.gz GFRQNDBPBPWLKG-SFHVURJKSA-N 0 0 326.444 2.440 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCCC[C@@H]2C)n1 ZINC000225902023 536588046 /nfs/dbraw/zinc/58/80/46/536588046.db2.gz OKLHUDMSJRZLRK-ZDUSSCGKSA-N 0 0 337.493 2.487 40 0 EEABRN COc1cc(N2CCCC2)nc(NC(=S)NCc2ccco2)n1 ZINC000225910958 536827626 /nfs/dbraw/zinc/82/76/26/536827626.db2.gz PCGXOJXLFLTVJS-UHFFFAOYSA-N 0 0 333.417 2.165 40 0 EEABRN COc1ccc([C@H](CC(=O)Nc2ccccc2)NS(C)(=O)=O)cc1 ZINC000225955119 536910788 /nfs/dbraw/zinc/91/07/88/536910788.db2.gz QRWAMQXPFWFDDD-INIZCTEOSA-N 0 0 348.424 2.314 40 0 EEABRN Cn1cc([C@]2(CNC(=O)N3CCc4ccccc43)CCCO2)cn1 ZINC000929168493 1206453191 /nfs/dbraw/zinc/45/31/91/1206453191.db2.gz LRDPWDREDDHCPK-GOSISDBHSA-N 0 0 326.400 2.198 40 0 EEABRN Cc1cccc(CN2CCC(S(N)(=O)=O)CC2)c1Br ZINC000930119636 1206535886 /nfs/dbraw/zinc/53/58/86/1206535886.db2.gz YJPVMERLQSLJJW-UHFFFAOYSA-N 0 0 347.278 2.010 40 0 EEABRN C[P@@](=O)(c1nccn1-c1ccc(Cl)nn1)N1CCCCC1 ZINC000013282773 1352318443 /nfs/dbraw/zinc/31/84/43/1352318443.db2.gz STBPIADPLVEDLP-OAQYLSRUSA-N 0 0 325.740 2.335 40 0 EEABRN CC[C@@H](C)NC(=O)Cn1c(=O)cc(C)nc1Nc1cccc(F)c1 ZINC000057506120 1352728651 /nfs/dbraw/zinc/72/86/51/1352728651.db2.gz HWHPPYMKYXINOT-LLVKDONJSA-N 0 0 332.379 2.349 40 0 EEABRN CCn1c2ccccc2c2cc(NC(=O)COCC(N)=O)ccc21 ZINC000199406441 1406142871 /nfs/dbraw/zinc/14/28/71/1406142871.db2.gz SVZZOYVXNOVFHE-UHFFFAOYSA-N 0 0 325.368 2.255 40 0 EEABRN CCNc1nc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cs1 ZINC000157520190 789810519 /nfs/dbraw/zinc/81/05/19/789810519.db2.gz UWNCBIKATWWLRR-ZDUSSCGKSA-N 0 0 339.461 2.375 40 0 EEABRN Cn1cnc(S(=O)(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000952991686 796134310 /nfs/dbraw/zinc/13/43/10/796134310.db2.gz IWVULTLZKODTMT-UHFFFAOYSA-N 0 0 343.811 2.437 40 0 EEABRN CC(C)NC(=O)N1CCC2(CC(=O)N(Cc3ccccc3)O2)CC1 ZINC001549163101 1121134321 /nfs/dbraw/zinc/13/43/21/1121134321.db2.gz YWYYTOIZJWKTRS-UHFFFAOYSA-N 0 0 331.416 2.303 40 0 EEABRN Cc1ccc(NCC(=O)N2CCC(C)CC2)c(OCC(=O)N(C)C)c1 ZINC000058167979 214491012 /nfs/dbraw/zinc/49/10/12/214491012.db2.gz PMEZRDJASYIRLB-UHFFFAOYSA-N 0 0 347.459 2.132 40 0 EEABRN CCn1c(C)nnc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000004560258 210220468 /nfs/dbraw/zinc/22/04/68/210220468.db2.gz OBPCRAAWFWAYRI-UHFFFAOYSA-N 0 0 336.417 2.354 40 0 EEABRN C[C@H](C(=O)N1CCC(C)CC1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178279156 232124285 /nfs/dbraw/zinc/12/42/85/232124285.db2.gz GJHCZVKSZWNANG-ZIAGYGMSSA-N 0 0 335.414 2.202 40 0 EEABRN O=S1(=O)C[C@@H](O)[C@H](Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000004158581 210133858 /nfs/dbraw/zinc/13/38/58/210133858.db2.gz JJOFITCCYBUALK-NXEZZACHSA-N 0 0 330.620 2.217 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCc2ccccc2)C1 ZINC000004135123 210129528 /nfs/dbraw/zinc/12/95/28/210129528.db2.gz DDJSRCGMAWOKIV-JKSUJKDBSA-N 0 0 339.464 2.342 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000178658177 232347222 /nfs/dbraw/zinc/34/72/22/232347222.db2.gz GVFSIDOYJMJQGI-LBPRGKRZSA-N 0 0 339.461 2.136 40 0 EEABRN Cc1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000179431910 233024396 /nfs/dbraw/zinc/02/43/96/233024396.db2.gz ITENLHAOKPZPRN-CVEARBPZSA-N 0 0 345.468 2.064 40 0 EEABRN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000040462558 213307343 /nfs/dbraw/zinc/30/73/43/213307343.db2.gz CRFUEEILPVFJFZ-HNNXBMFYSA-N 0 0 341.367 2.481 40 0 EEABRN O=C(CCNC(=O)c1ccoc1)NCCOc1cccc(Cl)c1 ZINC000040113584 213268510 /nfs/dbraw/zinc/26/85/10/213268510.db2.gz KBGOJPGJSGBDHL-UHFFFAOYSA-N 0 0 336.775 2.248 40 0 EEABRN Cc1nnsc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000038677848 213220514 /nfs/dbraw/zinc/22/05/14/213220514.db2.gz XZSULBMEGKBYRP-UHFFFAOYSA-N 0 0 346.412 2.480 40 0 EEABRN NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2F)on1 ZINC000060291825 283291450 /nfs/dbraw/zinc/29/14/50/283291450.db2.gz SZINOTCPGQRNJP-NSHDSACASA-N 0 0 331.347 2.351 40 0 EEABRN COc1nc(C)cc(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 ZINC000071195392 215742358 /nfs/dbraw/zinc/74/23/58/215742358.db2.gz MIRCPSLJMGOAIM-UHFFFAOYSA-N 0 0 341.346 2.430 40 0 EEABRN COCCCNc1ncnc2c1nnn2Cc1ccccc1Cl ZINC000035314936 213020792 /nfs/dbraw/zinc/02/07/92/213020792.db2.gz NQSOEIGLMUJMCI-UHFFFAOYSA-N 0 0 332.795 2.371 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccncc2)[C@H]1c1cccc(F)c1 ZINC000072241909 216080244 /nfs/dbraw/zinc/08/02/44/216080244.db2.gz KXTKTFULJNRYOW-FUHWJXTLSA-N 0 0 341.386 2.447 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccncc2)[C@H]1c1cccs1 ZINC000072238147 216077399 /nfs/dbraw/zinc/07/73/99/216077399.db2.gz POXUHOBISIALCF-BBRMVZONSA-N 0 0 329.425 2.369 40 0 EEABRN O=S(=O)(Nc1ccc(F)cc1F)c1cnn(-c2ccccn2)c1 ZINC000072238961 216077569 /nfs/dbraw/zinc/07/75/69/216077569.db2.gz XAVUEVUIQIOCLB-UHFFFAOYSA-N 0 0 336.323 2.346 40 0 EEABRN CCc1c(C)sc2ncn3c(nn(Cc4ccncc4)c3=O)c12 ZINC000072335286 216155909 /nfs/dbraw/zinc/15/59/09/216155909.db2.gz SVQUMYAVUUNENM-UHFFFAOYSA-N 0 0 325.397 2.420 40 0 EEABRN c1cnc(Nc2cncc([C@H]3CCCN(c4ncccn4)C3)n2)nc1 ZINC000072354353 216162314 /nfs/dbraw/zinc/16/23/14/216162314.db2.gz QCFDZWGJHMJIHV-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363607 216169985 /nfs/dbraw/zinc/16/99/85/216169985.db2.gz DHWVPFJDQCARPH-GFCCVEGCSA-N 0 0 347.444 2.338 40 0 EEABRN CNc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 ZINC000072367560 216175164 /nfs/dbraw/zinc/17/51/64/216175164.db2.gz KHDOTAXTQSBFEV-ZDUSSCGKSA-N 0 0 336.417 2.254 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2ccc(Nc3ccccc3)nn2)C1 ZINC000072387112 216185808 /nfs/dbraw/zinc/18/58/08/216185808.db2.gz AOXCTTKGKLXRPT-AWEZNQCLSA-N 0 0 346.456 2.434 40 0 EEABRN Cn1cc(NC(=O)Cc2ccc(I)cc2)cn1 ZINC000190883828 238784892 /nfs/dbraw/zinc/78/48/92/238784892.db2.gz OHMRMBAITXPXGZ-UHFFFAOYSA-N 0 0 341.152 2.206 40 0 EEABRN COc1c(C(=O)NCCc2nc3ccccc3s2)c(C)nn1C ZINC000074718350 216513358 /nfs/dbraw/zinc/51/33/58/216513358.db2.gz IEFKPOLBRFERQO-UHFFFAOYSA-N 0 0 330.413 2.319 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1)oc(=O)n2C ZINC000204129912 241043345 /nfs/dbraw/zinc/04/33/45/241043345.db2.gz SFXRACMAYWYGRE-UHFFFAOYSA-N 0 0 336.344 2.380 40 0 EEABRN CC(=O)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1OC(C)=O ZINC000022056561 212274344 /nfs/dbraw/zinc/27/43/44/212274344.db2.gz CEEWHAMHKUWUMK-HZPDHXFCSA-N 0 0 335.356 2.240 40 0 in-vitro EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218483124 241327157 /nfs/dbraw/zinc/32/71/57/241327157.db2.gz AISZBNKRPXIXAP-MBNYWOFBSA-N 0 0 347.889 2.159 40 0 EEABRN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1 ZINC000218552543 241330822 /nfs/dbraw/zinc/33/08/22/241330822.db2.gz ISXIZBZONDYGSW-LZLYRXPVSA-N 0 0 345.420 2.025 40 0 EEABRN CCOC(=O)C1(S(=O)(=O)CC)CCN(Cc2ccccc2)CC1 ZINC000217928087 241284327 /nfs/dbraw/zinc/28/43/27/241284327.db2.gz AEDDVESRFFDHDI-UHFFFAOYSA-N 0 0 339.457 2.019 40 0 EEABRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(COC)C(N)=S)cc1 ZINC000218542018 241329971 /nfs/dbraw/zinc/32/99/71/241329971.db2.gz WNTVJHOZEWWMCW-FMKPAKJESA-N 0 0 341.498 2.068 40 0 EEABRN O=C(Cn1ncccc1=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219511591 241393811 /nfs/dbraw/zinc/39/38/11/241393811.db2.gz HCTVWZWISMURHO-CYBMUJFWSA-N 0 0 335.454 2.012 40 0 EEABRN C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCN(C)CC1 ZINC000227152539 242124099 /nfs/dbraw/zinc/12/40/99/242124099.db2.gz RQDHHXYJSRCTIV-ZDUSSCGKSA-N 0 0 348.834 2.067 40 0 EEABRN COc1ccc(OCc2cn(CC(=O)N3CCC(C)CC3)nn2)cc1 ZINC000227167881 242126624 /nfs/dbraw/zinc/12/66/24/242126624.db2.gz SJPBFKSKZVHLOZ-UHFFFAOYSA-N 0 0 344.415 2.124 40 0 EEABRN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCO[C@H]2CCCC[C@H]21 ZINC000230098032 242231241 /nfs/dbraw/zinc/23/12/41/242231241.db2.gz APYOBTXCNZGZHP-KGLIPLIRSA-N 0 0 334.464 2.300 40 0 EEABRN CSc1nsc(NC(=O)N2CCC[C@@H]2c2noc(C)n2)n1 ZINC000242316986 243017853 /nfs/dbraw/zinc/01/78/53/243017853.db2.gz YWJFSTUTGDBNEB-SSDOTTSWSA-N 0 0 326.407 2.320 40 0 EEABRN O=C1CSc2ccc(NS(=O)(=O)C3CC3)cc2N1CC(F)F ZINC000252488326 243786339 /nfs/dbraw/zinc/78/63/39/243786339.db2.gz IPDUWKDQGJYGIB-UHFFFAOYSA-N 0 0 348.396 2.295 40 0 EEABRN COc1cccc(CC(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC000252481807 243768041 /nfs/dbraw/zinc/76/80/41/243768041.db2.gz CSMGEKGPOZJCLO-UHFFFAOYSA-N 0 0 349.337 2.008 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000252501494 243825869 /nfs/dbraw/zinc/82/58/69/243825869.db2.gz UGLIRVZBGVKOKQ-GOSISDBHSA-N 0 0 344.459 2.229 40 0 EEABRN c1cc2n(n1)[C@H](CCOCC1CCOCC1)CN(C1CCOCC1)C2 ZINC000253588721 244024127 /nfs/dbraw/zinc/02/41/27/244024127.db2.gz PODRVYHPSDWRML-LJQANCHMSA-N 0 0 349.475 2.252 40 0 EEABRN O=c1cc(C[C@@H]2COCCN(Cc3cccc(F)c3F)C2)nc[nH]1 ZINC000257201727 244120402 /nfs/dbraw/zinc/12/04/02/244120402.db2.gz AIUHDGYRUFIAOB-LBPRGKRZSA-N 0 0 335.354 2.152 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201803 244122340 /nfs/dbraw/zinc/12/23/40/244122340.db2.gz AJCFGCLVGBWNOC-LJQANCHMSA-N 0 0 342.443 2.317 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)cc(C(N)=O)n1 ZINC000257208238 244139559 /nfs/dbraw/zinc/13/95/59/244139559.db2.gz BLHDLVABUOFROW-ZDUSSCGKSA-N 0 0 332.448 2.101 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000257215393 244163454 /nfs/dbraw/zinc/16/34/54/244163454.db2.gz CPYAPUPHWANHFY-ZDUSSCGKSA-N 0 0 326.400 2.327 40 0 EEABRN CN(C(=O)c1cccn(Cc2ccccc2F)c1=O)C1CCOCC1 ZINC000257217312 244169484 /nfs/dbraw/zinc/16/94/84/244169484.db2.gz CYLKPPSWQSHQTL-UHFFFAOYSA-N 0 0 344.386 2.287 40 0 EEABRN O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H](c2cnccn2)C1 ZINC000257221798 244188106 /nfs/dbraw/zinc/18/81/06/244188106.db2.gz DQOAMZNXAROSMQ-SFHVURJKSA-N 0 0 336.395 2.491 40 0 EEABRN Cn1ccnc1-c1nccnc1[C@H]1CCCN1C(=O)c1cccnc1 ZINC000257226446 244201198 /nfs/dbraw/zinc/20/11/98/244201198.db2.gz FKQCWLMIDGBDOB-CQSZACIVSA-N 0 0 334.383 2.249 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@@H]2c2cnccn2)cc1C(F)(F)F ZINC000257231214 244212273 /nfs/dbraw/zinc/21/22/73/244212273.db2.gz GFUVKZIQFVNOKK-LLVKDONJSA-N 0 0 325.294 2.206 40 0 EEABRN CCOCC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257243278 244251225 /nfs/dbraw/zinc/25/12/25/244251225.db2.gz IGEFOSUQRJQJST-SJLPKXTDSA-N 0 0 337.391 2.391 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1C ZINC000257243937 244251635 /nfs/dbraw/zinc/25/16/35/244251635.db2.gz IJEVXXRNBLKOBR-HNNXBMFYSA-N 0 0 335.448 2.056 40 0 EEABRN CC(=O)N1CCN(C(=O)CCn2nccc2C)[C@@H](c2ccccc2)C1 ZINC000257239800 244237701 /nfs/dbraw/zinc/23/77/01/244237701.db2.gz HQUZTFAOEQVXMM-GOSISDBHSA-N 0 0 340.427 2.014 40 0 EEABRN CNc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000257241678 244244148 /nfs/dbraw/zinc/24/41/48/244244148.db2.gz HZBJDULZNLSVKM-LBPRGKRZSA-N 0 0 327.413 2.462 40 0 EEABRN CC(=O)N1CCCC[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CC[C@H]21 ZINC000257248192 244262799 /nfs/dbraw/zinc/26/27/99/244262799.db2.gz JCOYMZRSLHMOOY-NVXWUHKLSA-N 0 0 342.443 2.217 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@H](CCc3ccncn3)C2)s1 ZINC000257251974 244270453 /nfs/dbraw/zinc/27/04/53/244270453.db2.gz JTCFIQYKISWNOH-CQSZACIVSA-N 0 0 332.429 2.024 40 0 EEABRN CN1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccccc2)CC1 ZINC000020121081 212104707 /nfs/dbraw/zinc/10/47/07/212104707.db2.gz FFNIMQCKAVUSKV-IBGZPJMESA-N 0 0 348.454 2.058 40 0 EEABRN O=C(c1c[nH]cn1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257265830 244361119 /nfs/dbraw/zinc/36/11/19/244361119.db2.gz MAMUSQHBGKAGBK-HKUYNNGSSA-N 0 0 341.411 2.390 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257265098 244357860 /nfs/dbraw/zinc/35/78/60/244357860.db2.gz LXIAZUPONUFVDD-QGZVFWFLSA-N 0 0 341.459 2.449 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1F ZINC000257275122 244390798 /nfs/dbraw/zinc/39/07/98/244390798.db2.gz NNZPTJHCDWWLMS-QAPCUYQASA-N 0 0 348.418 2.374 40 0 EEABRN Cc1noc(C)c1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257319259 244513273 /nfs/dbraw/zinc/51/32/73/244513273.db2.gz VROBLJJTHMQBHY-ZDUSSCGKSA-N 0 0 335.429 2.492 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257330953 244549061 /nfs/dbraw/zinc/54/90/61/244549061.db2.gz XQTDCTGEOGDPSD-ZDUSSCGKSA-N 0 0 333.413 2.059 40 0 EEABRN O=C([C@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1)N1CCC(O)CC1 ZINC000072334237 296158484 /nfs/dbraw/zinc/15/84/84/296158484.db2.gz WCKWEPGZJLORIP-ZESCBINXSA-N 0 0 341.407 2.030 40 0 EEABRN O=C(CN1CCCC1=O)N[C@H](Cc1cccs1)c1nccs1 ZINC000019343300 212018344 /nfs/dbraw/zinc/01/83/44/212018344.db2.gz PZCYEBCCKQSPSU-GFCCVEGCSA-N 0 0 335.454 2.227 40 0 EEABRN Cc1nc(C2CCN(C(=O)c3ccn(C)n3)CC2)c2sccn12 ZINC000019240818 212008668 /nfs/dbraw/zinc/00/86/68/212008668.db2.gz RKZDVPXRSSIQMG-UHFFFAOYSA-N 0 0 329.429 2.458 40 0 EEABRN NC(=O)N1CCC[C@@H](C(=O)OCc2nc(Cl)ccc2Cl)C1 ZINC000078446108 217053818 /nfs/dbraw/zinc/05/38/18/217053818.db2.gz GQIIEPDKNJPJEG-MRVPVSSYSA-N 0 0 332.187 2.222 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc(OC)ccc1OC ZINC000078551860 217074100 /nfs/dbraw/zinc/07/41/00/217074100.db2.gz DBGLZOHJEJXCRB-MRXNPFEDSA-N 0 0 341.363 2.448 40 0 EEABRN O=C(CN1CCC(=O)NC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000078611309 217086686 /nfs/dbraw/zinc/08/66/86/217086686.db2.gz ZZUAZUPPRTZIOC-KRWDZBQOSA-N 0 0 347.390 2.115 40 0 EEABRN O=C(NCC[S@@](=O)c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000078914666 217146974 /nfs/dbraw/zinc/14/69/74/217146974.db2.gz LULZIMKHJDKFEX-DEOSSOPVSA-N 0 0 343.452 2.219 40 0 EEABRN CCS[C@@H]1CCCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000078987291 217166695 /nfs/dbraw/zinc/16/66/95/217166695.db2.gz MEWVKPXDAZYMMY-OAHLLOKOSA-N 0 0 331.445 2.410 40 0 EEABRN O=C(CNc1ccccc1Cl)NCCCOC[C@H]1CCCO1 ZINC000079050114 217181910 /nfs/dbraw/zinc/18/19/10/217181910.db2.gz AYECYGMSZGYSGH-CYBMUJFWSA-N 0 0 326.824 2.454 40 0 EEABRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cccc(Cl)c1 ZINC000079098372 217192821 /nfs/dbraw/zinc/19/28/21/217192821.db2.gz ZJHVWNRNRZQOKD-NEPJUHHUSA-N 0 0 346.880 2.346 40 0 EEABRN Cc1cc(S(C)(=O)=O)ccc1NCc1cc(=O)n2ccccc2n1 ZINC000079311355 217207616 /nfs/dbraw/zinc/20/76/16/217207616.db2.gz MYSZOPTWYZWRDU-UHFFFAOYSA-N 0 0 343.408 2.019 40 0 EEABRN Cc1cnc(-c2cccc(NC(=O)N(C)Cc3ncnn3C)c2)o1 ZINC000081071610 217357594 /nfs/dbraw/zinc/35/75/94/217357594.db2.gz HLBVWIOWFNMAGU-UHFFFAOYSA-N 0 0 326.360 2.442 40 0 EEABRN CO[C@]1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1(C)C ZINC000081067500 217357959 /nfs/dbraw/zinc/35/79/59/217357959.db2.gz JXKRHTZTNJLOSX-CXAGYDPISA-N 0 0 333.388 2.457 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096048675 296276301 /nfs/dbraw/zinc/27/63/01/296276301.db2.gz BWHKMMYAKSHWSP-LJQANCHMSA-N 0 0 339.395 2.330 40 0 EEABRN CCCN(C[C@@H]1CCCO1)C(=O)COc1ncnc2ccccc21 ZINC000012290480 211332674 /nfs/dbraw/zinc/33/26/74/211332674.db2.gz IJFPDXCLLIQFIS-AWEZNQCLSA-N 0 0 329.400 2.426 40 0 EEABRN COc1cc(-c2cnc(N(C)C)nc2-c2ccco2)nc(OC)n1 ZINC000012253502 211329754 /nfs/dbraw/zinc/32/97/54/211329754.db2.gz IIZUNXNLMLCWAW-UHFFFAOYSA-N 0 0 327.344 2.277 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC(c2noc(-c3cccnc3)n2)CC1 ZINC000012225022 211324886 /nfs/dbraw/zinc/32/48/86/211324886.db2.gz LSLDAZVXXMEVQR-CQSZACIVSA-N 0 0 328.372 2.017 40 0 EEABRN CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCC3)c(=O)c21 ZINC000012142701 211304989 /nfs/dbraw/zinc/30/49/89/211304989.db2.gz OEANKXLDGUTZBC-UHFFFAOYSA-N 0 0 344.440 2.363 40 0 EEABRN Cc1cccc(NC(=O)Cn2nc3c(C)cc4ccccc4n3c2=O)n1 ZINC000012117724 211297851 /nfs/dbraw/zinc/29/78/51/211297851.db2.gz NFJYKBWWAOCLPA-UHFFFAOYSA-N 0 0 347.378 2.300 40 0 EEABRN COc1ccccc1CC(=O)N[C@@H](C)c1nnc(-c2ccncc2)[nH]1 ZINC000012114829 211293772 /nfs/dbraw/zinc/29/37/72/211293772.db2.gz LICBLIYHMKTUNP-LBPRGKRZSA-N 0 0 337.383 2.295 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000012146725 211306888 /nfs/dbraw/zinc/30/68/88/211306888.db2.gz GPFRBIOSLPTCFE-TXEJJXNPSA-N 0 0 346.456 2.344 40 0 EEABRN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000095101332 218281823 /nfs/dbraw/zinc/28/18/23/218281823.db2.gz DKXOTTPAYPGLTE-ALKREAHSSA-N 0 0 344.411 2.431 40 0 EEABRN CCN(CC)C(=O)CSc1nc(O)c(CCC(C)C)c(=O)[nH]1 ZINC000008964382 211024620 /nfs/dbraw/zinc/02/46/20/211024620.db2.gz CCSBSNRYBNTLCH-UHFFFAOYSA-N 0 0 327.450 2.025 40 0 EEABRN Cc1occc1C(=O)N1CCC(NC(=O)CC2(O)CCCCC2)CC1 ZINC000095405511 218341511 /nfs/dbraw/zinc/34/15/11/218341511.db2.gz HUOLIGLMBZNDOA-UHFFFAOYSA-N 0 0 348.443 2.394 40 0 EEABRN Cn1c2cccc(C(=O)NC[C@@H]3COc4ccccc4C3)c2oc1=O ZINC000095441011 218385537 /nfs/dbraw/zinc/38/55/37/218385537.db2.gz SJBDIIFHYZCDON-GFCCVEGCSA-N 0 0 338.363 2.113 40 0 EEABRN CNC(=O)[C@@H](C)CN(C)c1nc2ccccc2nc1N1CCCC1 ZINC000095449413 218393877 /nfs/dbraw/zinc/39/38/77/218393877.db2.gz HKWNNCRZCKYTPF-ZDUSSCGKSA-N 0 0 327.432 2.048 40 0 EEABRN CCCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008276420 210925985 /nfs/dbraw/zinc/92/59/85/210925985.db2.gz NGJOAZDHSJBGOM-UHFFFAOYSA-N 0 0 334.441 2.377 40 0 EEABRN COc1ccccc1OCCNC(=O)[C@@H]1COc2ccccc2O1 ZINC000007842560 210855630 /nfs/dbraw/zinc/85/56/30/210855630.db2.gz RFXVFIBEXZROCZ-KRWDZBQOSA-N 0 0 329.352 2.030 40 0 EEABRN CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 ZINC000096039402 218521113 /nfs/dbraw/zinc/52/11/13/218521113.db2.gz KQWGFOZKRNHFRX-MJGOQNOKSA-N 0 0 333.428 2.500 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(F)cc1)C2 ZINC000096039230 218521261 /nfs/dbraw/zinc/52/12/61/218521261.db2.gz BZXPKJDGOMFBCO-AEFFLSMTSA-N 0 0 337.391 2.249 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041902 218525917 /nfs/dbraw/zinc/52/59/17/218525917.db2.gz VPEZNKFEDLXTDS-NUEKZKHPSA-N 0 0 345.374 2.010 40 0 EEABRN O=C(c1cscn1)N1CCC2(CN(Cc3ccccc3)C2=O)CC1 ZINC000096202902 218677813 /nfs/dbraw/zinc/67/78/13/218677813.db2.gz JSGILGFYIHBNQE-UHFFFAOYSA-N 0 0 341.436 2.408 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2nccs2)C3)nn1 ZINC000096229223 218706855 /nfs/dbraw/zinc/70/68/55/218706855.db2.gz HOYZPKQGDKWSDU-KRWDZBQOSA-N 0 0 345.472 2.365 40 0 EEABRN O=C(Nc1ccc(F)cc1)N1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253179 218723736 /nfs/dbraw/zinc/72/37/36/218723736.db2.gz BTYMTLSMSNAVQB-OWCLPIDISA-N 0 0 347.390 2.069 40 0 EEABRN CCC(=O)N[C@H]1CCCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000096411827 218768090 /nfs/dbraw/zinc/76/80/90/218768090.db2.gz DGOBNVXYPZEVQK-HNNXBMFYSA-N 0 0 341.411 2.401 40 0 EEABRN C[C@H](NS(=O)(=O)CCc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000096428170 218800614 /nfs/dbraw/zinc/80/06/14/218800614.db2.gz LWVIBHYEEFCXSE-SUMWQHHRSA-N 0 0 337.416 2.410 40 0 EEABRN C[C@@H](CCc1ccc(F)c(F)c1)NS(=O)(=O)Cc1ccon1 ZINC000096427940 218800758 /nfs/dbraw/zinc/80/07/58/218800758.db2.gz ULEBNHBTAFAFBV-JTQLQIEISA-N 0 0 330.356 2.394 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1 ZINC000096428022 218800887 /nfs/dbraw/zinc/80/08/87/218800887.db2.gz XBJFEAOPYXKWFJ-UHFFFAOYSA-N 0 0 336.413 2.358 40 0 EEABRN O=C1[C@H](Sc2nncn2CCc2cccs2)CCN1C1CC1 ZINC000096452430 218835559 /nfs/dbraw/zinc/83/55/59/218835559.db2.gz ZLOBMBGAUUCMEJ-CYBMUJFWSA-N 0 0 334.470 2.438 40 0 EEABRN CCn1cc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 ZINC000096489621 218867150 /nfs/dbraw/zinc/86/71/50/218867150.db2.gz WMAYFHXRQDMSEQ-UHFFFAOYSA-N 0 0 340.353 2.034 40 0 EEABRN CN(CC(C)(C)O)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000096493279 218871350 /nfs/dbraw/zinc/87/13/50/218871350.db2.gz VUELFDDBPFKUON-KBPBESRZSA-N 0 0 328.359 2.207 40 0 EEABRN CC(=O)NCCNC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000096495701 218874117 /nfs/dbraw/zinc/87/41/17/218874117.db2.gz RTUFXQYWAXFWMK-UHFFFAOYSA-N 0 0 335.795 2.092 40 0 EEABRN O=C(NCC[C@@H]1CCCCO1)Nc1cccn(CC(F)(F)F)c1=O ZINC000097236229 219002639 /nfs/dbraw/zinc/00/26/39/219002639.db2.gz BDTOEHFOYUIVIC-NSHDSACASA-N 0 0 347.337 2.491 40 0 EEABRN CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000097377983 219018999 /nfs/dbraw/zinc/01/89/99/219018999.db2.gz SZUKIGROGCVSEL-SWLSCSKDSA-N 0 0 329.318 2.325 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000081834481 296421734 /nfs/dbraw/zinc/42/17/34/296421734.db2.gz NBMJVVWFXCPOBM-GHMZBOCLSA-N 0 0 328.409 2.124 40 0 EEABRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1cnn(C)c1C ZINC000271799831 257996703 /nfs/dbraw/zinc/99/67/03/257996703.db2.gz HTPPKQXFTCVBIP-BZNIZROVSA-N 0 0 334.395 2.443 40 0 EEABRN COc1ccccc1N1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000027969051 135740099 /nfs/dbraw/zinc/74/00/99/135740099.db2.gz AEQNVNZOPVBXHZ-UHFFFAOYSA-N 0 0 348.834 2.284 40 0 EEABRN CCOC(=O)C1=C(C)N(C)[C@](c2ccccc2)(C(F)(F)F)NC1=O ZINC000000358620 285668348 /nfs/dbraw/zinc/66/83/48/285668348.db2.gz IBEOOTISWCFVEP-OAHLLOKOSA-N 0 0 342.317 2.300 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218516960 286181150 /nfs/dbraw/zinc/18/11/50/286181150.db2.gz LCZAPBOJZZRJPU-YCPHGPKFSA-N 0 0 341.498 2.068 40 0 EEABRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1(C)C ZINC000248079214 286243590 /nfs/dbraw/zinc/24/35/90/286243590.db2.gz UWYCILPTQKPFIO-ARFHVFGLSA-N 0 0 336.476 2.297 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@]12CCCO2 ZINC000332840828 286349679 /nfs/dbraw/zinc/34/96/79/286349679.db2.gz AMDJARHWSHQQHB-LISAXSMJSA-N 0 0 348.447 2.373 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000195571464 286829248 /nfs/dbraw/zinc/82/92/48/286829248.db2.gz WHDHXNDJLSDKHZ-HNNXBMFYSA-N 0 0 329.444 2.371 40 0 EEABRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCS(=O)CC1 ZINC000096420781 304466237 /nfs/dbraw/zinc/46/62/37/304466237.db2.gz BPMCPUHDNHZHRV-RYUDHWBXSA-N 0 0 347.358 2.280 40 0 EEABRN Cc1c2nnc(C(F)(F)F)n2nc(N2CCc3n[nH]cc3C2)c1C ZINC000271365788 274124704 /nfs/dbraw/zinc/12/47/04/274124704.db2.gz VHENVHGDSBYSMU-UHFFFAOYSA-N 0 0 337.309 2.046 40 0 EEABRN C[C@H]1Cc2cc(S(=O)(=O)N3C[C@@H](O)Cc4ccccc43)ccc2O1 ZINC000278556421 274372248 /nfs/dbraw/zinc/37/22/48/274372248.db2.gz BABCOWLRYFDWEG-WFASDCNBSA-N 0 0 345.420 2.122 40 0 EEABRN O=c1[nH]c2cc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)ccc2o1 ZINC000289007419 275095172 /nfs/dbraw/zinc/09/51/72/275095172.db2.gz DUIOKAPQSQVWSV-BXUZGUMPSA-N 0 0 342.355 2.097 40 0 EEABRN CN1c2ccccc2C(=O)C(Br)(Br)C1=O ZINC000005510337 277217273 /nfs/dbraw/zinc/21/72/73/277217273.db2.gz JXCXFBONJIIHSB-UHFFFAOYSA-N 0 0 332.979 2.332 40 0 EEABRN CNC(=O)CCN1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152447200 277226816 /nfs/dbraw/zinc/22/68/16/277226816.db2.gz OENKMHYEYGOPFD-NHYWBVRUSA-N 0 0 341.249 2.347 40 0 EEABRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccnc(-n2cncn2)c1 ZINC000096450797 278881872 /nfs/dbraw/zinc/88/18/72/278881872.db2.gz TWQJHGZZWBAWAA-CYBMUJFWSA-N 0 0 335.367 2.398 40 0 EEABRN Cc1nnc(N2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)s1 ZINC000096215033 279225817 /nfs/dbraw/zinc/22/58/17/279225817.db2.gz OJTOOUQYVBKAAC-NHYWBVRUSA-N 0 0 336.392 2.197 40 0 EEABRN COc1ccccc1N1CCN(C(=O)N[C@H]2CCOC2(C)C)CC1 ZINC000297786677 294341124 /nfs/dbraw/zinc/34/11/24/294341124.db2.gz MKGKHOKJWWRPQF-INIZCTEOSA-N 0 0 333.432 2.094 40 0 EEABRN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCn3nccc3C2)c1C ZINC000253473384 301180055 /nfs/dbraw/zinc/18/00/55/301180055.db2.gz UQZAPZRYTYKMHH-HNNXBMFYSA-N 0 0 333.457 2.410 40 0 EEABRN C[C@@H]1CN(Cc2ccc(C(=O)N(C)c3ncccn3)cc2)C[C@@H](C)O1 ZINC000332547311 312023278 /nfs/dbraw/zinc/02/32/78/312023278.db2.gz NTMKJRZFTWPVMJ-HUUCEWRRSA-N 0 0 340.427 2.362 40 0 EEABRN O=C(C1CC1)N1CCC(NS(=O)(=O)c2sccc2Cl)CC1 ZINC000572353118 319837909 /nfs/dbraw/zinc/83/79/09/319837909.db2.gz HQGYIYOEFFJIRY-UHFFFAOYSA-N 0 0 348.877 2.081 40 0 EEABRN Cc1cc(C)nc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000097378715 323322008 /nfs/dbraw/zinc/32/20/08/323322008.db2.gz HXRBCEYAAZEXBZ-CQSZACIVSA-N 0 0 328.420 2.222 40 0 EEABRN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583482009 324670881 /nfs/dbraw/zinc/67/08/81/324670881.db2.gz JNGUUKCWJNQPFJ-GVDBMIGSSA-N 0 0 340.427 2.097 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NO[C@H]3CCCCO3)C2)cc1 ZINC000060333012 462541768 /nfs/dbraw/zinc/54/17/68/462541768.db2.gz AKBKMTYOQJHNAS-SJORKVTESA-N 0 0 346.427 2.422 40 0 EEABRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000000199889 462547302 /nfs/dbraw/zinc/54/73/02/462547302.db2.gz VKOLEJAASYLJAD-GFCCVEGCSA-N 0 0 336.335 2.344 40 0 EEABRN Cc1[nH]nc(NC(=O)[C@@H]2CN(C)CCO2)c1-c1cccc(Cl)c1 ZINC000085542568 462552757 /nfs/dbraw/zinc/55/27/57/462552757.db2.gz LOHSQQMWBSUPBI-ZDUSSCGKSA-N 0 0 334.807 2.308 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000074220233 462571564 /nfs/dbraw/zinc/57/15/64/462571564.db2.gz NNGQNCUMDANCPI-GDBMZVCRSA-N 0 0 338.473 2.084 40 0 EEABRN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc(C)ccc1Cl ZINC000127928913 462595003 /nfs/dbraw/zinc/59/50/03/462595003.db2.gz BZSDNYVESLEFFI-UHFFFAOYSA-N 0 0 327.837 2.477 40 0 EEABRN CCC[C@H](NC(=O)c1cnn2ccc(C)nc12)c1nnc2ccccn21 ZINC000074543907 462612208 /nfs/dbraw/zinc/61/22/08/462612208.db2.gz JVVGWTVQQKBPRM-AWEZNQCLSA-N 0 0 349.398 2.352 40 0 EEABRN COC(=O)c1c(Br)c(O)cc(O)c1Br ZINC000003843452 462625617 /nfs/dbraw/zinc/62/56/17/462625617.db2.gz KWPAAHWPKTYGJD-UHFFFAOYSA-N 0 0 325.940 2.409 40 0 EEABRN COC(=O)c1sccc1CN(C)[C@@H](C(N)=O)c1cccc(F)c1 ZINC000088504547 462633342 /nfs/dbraw/zinc/63/33/42/462633342.db2.gz KNVSSKFYKWBNFL-CYBMUJFWSA-N 0 0 336.388 2.332 40 0 EEABRN Nc1nc2c(c(=O)[nH]1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000004944769 462641158 /nfs/dbraw/zinc/64/11/58/462641158.db2.gz JIJFTHSGJVFGLC-RXMQYKEDSA-N 0 0 325.155 2.133 40 0 EEABRN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)n1 ZINC000046088668 462645467 /nfs/dbraw/zinc/64/54/67/462645467.db2.gz OWFKLVWDPZPMFG-UHFFFAOYSA-N 0 0 328.372 2.248 40 0 EEABRN CSc1nsc(SCC(=O)NC(=O)c2ccccc2)n1 ZINC000006175120 462678113 /nfs/dbraw/zinc/67/81/13/462678113.db2.gz DVNTYLXQXBHMJT-UHFFFAOYSA-N 0 0 325.440 2.309 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000006282034 462681051 /nfs/dbraw/zinc/68/10/51/462681051.db2.gz UTRYLKHBFDGONP-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN Cc1cccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1C ZINC000075162038 462688827 /nfs/dbraw/zinc/68/88/27/462688827.db2.gz ZXCUOCWFGJWMEX-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1 ZINC000006680364 462696650 /nfs/dbraw/zinc/69/66/50/462696650.db2.gz GLXARLUROZQWGO-UHFFFAOYSA-N 0 0 338.454 2.319 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccnc2)c1 ZINC000006680394 462697439 /nfs/dbraw/zinc/69/74/39/462697439.db2.gz QUMRRPMOLKGGOK-UHFFFAOYSA-N 0 0 325.415 2.036 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000006944870 462713582 /nfs/dbraw/zinc/71/35/82/462713582.db2.gz FJLSYNSDQDIMCI-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000047188666 462752398 /nfs/dbraw/zinc/75/23/98/462752398.db2.gz GRQFNGIGNYKWPG-YOEHRIQHSA-N 0 0 343.427 2.108 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000008560401 462787768 /nfs/dbraw/zinc/78/77/68/462787768.db2.gz AFPVZJQEJIHOHY-UHFFFAOYSA-N 0 0 340.445 2.010 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3nccs3)C2)C1 ZINC000008602422 462789675 /nfs/dbraw/zinc/78/96/75/462789675.db2.gz ZXUWZLKIDJMOQD-QGZVFWFLSA-N 0 0 343.456 2.061 40 0 EEABRN Cc1cccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000010285671 462816171 /nfs/dbraw/zinc/81/61/71/462816171.db2.gz HYRIROKGXRXCQH-UHFFFAOYSA-N 0 0 332.425 2.424 40 0 EEABRN CC[C@H]1c2cccn2CCN1C(=O)CNC(=O)c1ccccc1OC ZINC000155348944 462878647 /nfs/dbraw/zinc/87/86/47/462878647.db2.gz QTUCOVUOEWOWNT-HNNXBMFYSA-N 0 0 341.411 2.220 40 0 EEABRN CNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC ZINC000013556358 462895196 /nfs/dbraw/zinc/89/51/96/462895196.db2.gz KYYQXFGUQDRCMC-UHFFFAOYSA-N 0 0 335.385 2.465 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 ZINC000013671678 462898000 /nfs/dbraw/zinc/89/80/00/462898000.db2.gz SADFPZPXKJBTPS-CYBMUJFWSA-N 0 0 338.473 2.328 40 0 EEABRN COc1cc(C(=O)[C@@H](c2ccc(O)cc2)C(OC)OC)c(O)cc1O ZINC000077291895 462962987 /nfs/dbraw/zinc/96/29/87/462962987.db2.gz SIKRJIMDZWKNAT-MRXNPFEDSA-N 0 0 348.351 2.397 40 0 in-vitro EEABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016322307 462973613 /nfs/dbraw/zinc/97/36/13/462973613.db2.gz UPTQQCIVJPLIEZ-LBPRGKRZSA-N 0 0 334.397 2.001 40 0 EEABRN O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1nc2c(s1)CCCC2 ZINC000019657942 463018810 /nfs/dbraw/zinc/01/88/10/463018810.db2.gz RDIAUOLURRGSRP-CYBMUJFWSA-N 0 0 345.472 2.322 40 0 EEABRN CN(C)c1ccc(CCC(=O)N2CC[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019713300 463020812 /nfs/dbraw/zinc/02/08/12/463020812.db2.gz ROEJPOHPRAOEIU-ZWKOTPCHSA-N 0 0 343.471 2.345 40 0 EEABRN CN1CCN(C(=O)CSCc2cccc(Br)c2)CC1 ZINC000020238342 463025911 /nfs/dbraw/zinc/02/59/11/463025911.db2.gz FLQKDBMWZFYTEG-UHFFFAOYSA-N 0 0 343.290 2.456 40 0 EEABRN COc1cccc(CNc2nnnn2C)c1OCc1ccccc1 ZINC000022112014 463045360 /nfs/dbraw/zinc/04/53/60/463045360.db2.gz FYPJKCCBIKBTBG-UHFFFAOYSA-N 0 0 325.372 2.410 40 0 EEABRN Cc1nc(C(=O)N(C)Cc2cccc(OC(F)F)c2)c(=O)[nH]c1C ZINC000095449135 463087040 /nfs/dbraw/zinc/08/70/40/463087040.db2.gz AAVVDCLZFMKYBG-UHFFFAOYSA-N 0 0 337.326 2.260 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096039100 463143529 /nfs/dbraw/zinc/14/35/29/463143529.db2.gz CQMHYSBABCJYRD-IAGOWNOFSA-N 0 0 339.457 2.201 40 0 EEABRN CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 ZINC000096039470 463143977 /nfs/dbraw/zinc/14/39/77/463143977.db2.gz KLTJCFZCIMNJMN-QAPCUYQASA-N 0 0 334.416 2.138 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096042155 463146286 /nfs/dbraw/zinc/14/62/86/463146286.db2.gz SQCHPZNHAHTBMU-YQQAZPJKSA-N 0 0 331.441 2.487 40 0 EEABRN O=C(C1=CCCC1)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096042325 463147775 /nfs/dbraw/zinc/14/77/75/463147775.db2.gz RHUGHWXBPKJJFO-HRCADAONSA-N 0 0 332.375 2.468 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050757 463154662 /nfs/dbraw/zinc/15/46/62/463154662.db2.gz ROTHENYDWJINBS-IBGZPJMESA-N 0 0 346.402 2.208 40 0 EEABRN O=C(c1ccsc1)N1CCc2ncnc(N3CCCC3)c2CC1 ZINC000096058725 463159896 /nfs/dbraw/zinc/15/98/96/463159896.db2.gz QLWKQAQYXTXKRV-UHFFFAOYSA-N 0 0 328.441 2.379 40 0 EEABRN Cn1ccnc1CN1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000096069549 463166070 /nfs/dbraw/zinc/16/60/70/463166070.db2.gz SODOFGDQWGJERQ-KRWDZBQOSA-N 0 0 338.455 2.401 40 0 EEABRN Cn1ccnc1CN1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074726 463166989 /nfs/dbraw/zinc/16/69/89/463166989.db2.gz ZIWJJDSRZGIDTJ-IBGZPJMESA-N 0 0 344.434 2.431 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099405 463172993 /nfs/dbraw/zinc/17/29/93/463172993.db2.gz KPDHWASLUMLFTB-UHFFFAOYSA-N 0 0 348.424 2.370 40 0 EEABRN Cc1ccnc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)c1 ZINC000096100954 463173107 /nfs/dbraw/zinc/17/31/07/463173107.db2.gz PSYXFHXKDJWMBX-UHFFFAOYSA-N 0 0 341.415 2.392 40 0 EEABRN O=C(c1ccccc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109010 463177344 /nfs/dbraw/zinc/17/73/44/463177344.db2.gz DQNDTBJINZWHPA-XLIONFOSSA-N 0 0 338.407 2.387 40 0 EEABRN Cn1nccc1C(=O)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC000096109247 463179005 /nfs/dbraw/zinc/17/90/05/463179005.db2.gz CPMYXQXEMNDURA-KDOFPFPSSA-N 0 0 326.400 2.136 40 0 EEABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cn1 ZINC000096112209 463179484 /nfs/dbraw/zinc/17/94/84/463179484.db2.gz MAYGSBQSLNJCMG-PBHICJAKSA-N 0 0 343.406 2.046 40 0 biogenic,in-vitro EEABRN O=C(c1cccnc1)N1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112028 463179534 /nfs/dbraw/zinc/17/95/34/463179534.db2.gz UJXMIEABBDLNOY-CJNGLKHVSA-N 0 0 340.358 2.337 40 0 biogenic,in-vitro EEABRN COc1cc(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc(OC)c1 ZINC000096121323 463181806 /nfs/dbraw/zinc/18/18/06/463181806.db2.gz WVAJPUWZJDNZNJ-UHFFFAOYSA-N 0 0 345.403 2.190 40 0 EEABRN CCN(CC)C(=O)CCNC(=O)c1cc2ccccc2c(OC)n1 ZINC000096134094 463183107 /nfs/dbraw/zinc/18/31/07/463183107.db2.gz HKNTYFSCKRZCIC-UHFFFAOYSA-N 0 0 329.400 2.232 40 0 EEABRN C[C@H]1CN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C[C@H](C)O1 ZINC000096146876 463185940 /nfs/dbraw/zinc/18/59/40/463185940.db2.gz HMLMCPPBFZFTEL-QWRGUYRKSA-N 0 0 349.456 2.082 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)cn1 ZINC000096181252 463194653 /nfs/dbraw/zinc/19/46/53/463194653.db2.gz NGGNXKQLIMZNAV-RDJZCZTQSA-N 0 0 326.400 2.370 40 0 EEABRN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)nn1 ZINC000096184870 463195229 /nfs/dbraw/zinc/19/52/29/463195229.db2.gz MIEUHYSAWODGAC-LSDHHAIUSA-N 0 0 328.441 2.269 40 0 EEABRN CCn1ncc2c1[C@@H](COCC1CC1)N(Cc1cnn(C)c1)CC2 ZINC000096197821 463203711 /nfs/dbraw/zinc/20/37/11/463203711.db2.gz JPPLNXNOYLMWOM-QGZVFWFLSA-N 0 0 329.448 2.163 40 0 EEABRN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199945 463206162 /nfs/dbraw/zinc/20/61/62/463206162.db2.gz WXJSSIYPLJPXCL-KRWDZBQOSA-N 0 0 335.407 2.360 40 0 EEABRN C[C@@H]1c2ncc(COCC3CCOCC3)n2CCN1c1ncccn1 ZINC000096206358 463208782 /nfs/dbraw/zinc/20/87/82/463208782.db2.gz VMJVSHWKXNOYRP-CQSZACIVSA-N 0 0 343.431 2.198 40 0 EEABRN Clc1cncc(OC[C@@H]2CO[C@@H]3CN(c4cnccn4)C[C@H]23)c1 ZINC000096216033 463213598 /nfs/dbraw/zinc/21/35/98/463213598.db2.gz NZJZPIGDTJSJDK-KCPJHIHWSA-N 0 0 332.791 2.055 40 0 EEABRN Cc1nnc(N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)s1 ZINC000096218119 463214590 /nfs/dbraw/zinc/21/45/90/463214590.db2.gz ILUAJUHEIPCODC-BBRMVZONSA-N 0 0 332.429 2.448 40 0 EEABRN Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4ocnc4C)CC[C@@H]23)n1 ZINC000096218215 463214698 /nfs/dbraw/zinc/21/46/98/463214698.db2.gz VZLIDDADPDOSLO-MGPQQGTHSA-N 0 0 347.440 2.468 40 0 EEABRN Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]23)n1 ZINC000096216539 463215159 /nfs/dbraw/zinc/21/51/59/463215159.db2.gz BTRCLABKVJLXIT-LRLQBAPXSA-N 0 0 345.424 2.169 40 0 EEABRN Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000096216213 463215352 /nfs/dbraw/zinc/21/53/52/463215352.db2.gz OXPAGGAIEYKKKT-MJGOQNOKSA-N 0 0 340.427 2.274 40 0 EEABRN Cn1cc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000028240567 463220975 /nfs/dbraw/zinc/22/09/75/463220975.db2.gz RPQNGEWNHLWPPI-UHFFFAOYSA-N 0 0 332.835 2.355 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227572 463222323 /nfs/dbraw/zinc/22/23/23/463222323.db2.gz AJBVVFHWDJNHNZ-LPHOPBHVSA-N 0 0 342.443 2.062 40 0 EEABRN CCC(CC)C(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238213 463223651 /nfs/dbraw/zinc/22/36/51/463223651.db2.gz KXLKKYTWSHUGSS-SFHVURJKSA-N 0 0 349.500 2.434 40 0 EEABRN Cc1ccc(CN2C[C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3C2)s1 ZINC000096246369 463226940 /nfs/dbraw/zinc/22/69/40/463226940.db2.gz LTQBQCDKCUEVON-IAGOWNOFSA-N 0 0 343.452 2.063 40 0 EEABRN CN(C)C(=O)NCc1ncn2c1CN(Cc1cccs1)CCC2 ZINC000096259453 463230024 /nfs/dbraw/zinc/23/00/24/463230024.db2.gz RRHUWVIXAXUAMJ-UHFFFAOYSA-N 0 0 333.461 2.122 40 0 EEABRN Cc1ccc(OC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 ZINC000096355731 463236002 /nfs/dbraw/zinc/23/60/02/463236002.db2.gz NPDGYIATZONWAG-UHFFFAOYSA-N 0 0 347.440 2.158 40 0 EEABRN CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 ZINC000096403842 463238149 /nfs/dbraw/zinc/23/81/49/463238149.db2.gz NNOFRNJBYSYBIY-GOSISDBHSA-N 0 0 347.434 2.264 40 0 EEABRN Cc1ccc(=O)n(CN2CCc3c(Br)cccc3C2)n1 ZINC000096403712 463238211 /nfs/dbraw/zinc/23/82/11/463238211.db2.gz ZTQQVGYFHMWPOG-UHFFFAOYSA-N 0 0 334.217 2.330 40 0 EEABRN COCC(=O)N1CCC(NC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC000096407490 463240807 /nfs/dbraw/zinc/24/08/07/463240807.db2.gz XZVKXCNVPGJQRD-OAHLLOKOSA-N 0 0 332.444 2.242 40 0 EEABRN C[S@@](=O)CCNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000096408858 463242243 /nfs/dbraw/zinc/24/22/43/463242243.db2.gz PHDHGPKKIJAHBA-QHCPKHFHSA-N 0 0 348.390 2.415 40 0 EEABRN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)o1 ZINC000096409787 463242288 /nfs/dbraw/zinc/24/22/88/463242288.db2.gz RIUREBHGSZRJOE-ZDUSSCGKSA-N 0 0 340.792 2.314 40 0 EEABRN Cc1cc(C)c(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c(C)c1 ZINC000096413593 463245804 /nfs/dbraw/zinc/24/58/04/463245804.db2.gz FKHZXNHGNDOHQM-UHFFFAOYSA-N 0 0 344.415 2.416 40 0 EEABRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc(N)nc(N(C)C)n1 ZINC000096413238 463245929 /nfs/dbraw/zinc/24/59/29/463245929.db2.gz WYFOYDNJILVPNN-AAEUAGOBSA-N 0 0 330.411 2.037 40 0 EEABRN CC(C)(NC(=O)CCC(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000096414509 463247034 /nfs/dbraw/zinc/24/70/34/463247034.db2.gz LPVRULQVELQJSO-UHFFFAOYSA-N 0 0 338.835 2.330 40 0 EEABRN O=C(NCCOC[C@H]1CCCO1)NCCc1cc2ccccc2o1 ZINC000096417776 463249340 /nfs/dbraw/zinc/24/93/40/463249340.db2.gz ZINHMKUSJOMDAA-MRXNPFEDSA-N 0 0 332.400 2.470 40 0 EEABRN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)c1cc(F)ccc1F ZINC000096419030 463250836 /nfs/dbraw/zinc/25/08/36/463250836.db2.gz PCYSIFLRYUSAJN-XHDPSFHLSA-N 0 0 340.370 2.027 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000096420859 463251889 /nfs/dbraw/zinc/25/18/89/463251889.db2.gz FZINJZCAHQWIBX-OAHLLOKOSA-N 0 0 349.479 2.158 40 0 EEABRN CCc1cc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)on1 ZINC000096422096 463252573 /nfs/dbraw/zinc/25/25/73/463252573.db2.gz BVZMUXTVPGJCLZ-UHFFFAOYSA-N 0 0 325.727 2.284 40 0 EEABRN C[C@@H](CCc1cccn1C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000096425709 463254663 /nfs/dbraw/zinc/25/46/63/463254663.db2.gz IGCOJZXPVBIHMU-ZDUSSCGKSA-N 0 0 334.441 2.180 40 0 EEABRN Cc1cccnc1CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000096426432 463255654 /nfs/dbraw/zinc/25/56/54/463255654.db2.gz GXRMBIBTACJIIS-GOSISDBHSA-N 0 0 343.402 2.219 40 0 EEABRN Cc1c(C(=O)NCc2cnn(C)c2)nnn1-c1ccc(Cl)cc1F ZINC000096426284 463255839 /nfs/dbraw/zinc/25/58/39/463255839.db2.gz NSIDAEIECXIHNX-UHFFFAOYSA-N 0 0 348.769 2.032 40 0 EEABRN CN(C)C(=O)COc1cccc(NCc2noc(C(C)(C)C)n2)c1 ZINC000096427436 463256859 /nfs/dbraw/zinc/25/68/59/463256859.db2.gz UBZLJTRHQNCMLX-UHFFFAOYSA-N 0 0 332.404 2.446 40 0 EEABRN CCCc1nc(CNc2cccc(C(=O)N3CCOCC3)c2C)no1 ZINC000096427461 463256868 /nfs/dbraw/zinc/25/68/68/463256868.db2.gz VPDUSLHIPNJBKN-UHFFFAOYSA-N 0 0 344.415 2.415 40 0 EEABRN Cn1ncc2c1ncn(Cc1ccccc1OCC(F)(F)F)c2=O ZINC000096430122 463258839 /nfs/dbraw/zinc/25/88/39/463258839.db2.gz UKPSMNHCWRNOAD-UHFFFAOYSA-N 0 0 338.289 2.119 40 0 EEABRN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cn(C)c2ccccc12 ZINC000096431225 463260383 /nfs/dbraw/zinc/26/03/83/463260383.db2.gz TUMVCAQFJNUFLD-HSBSLETESA-N 0 0 346.452 2.085 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C12CCCC2 ZINC000096432476 463261427 /nfs/dbraw/zinc/26/14/27/463261427.db2.gz GTUIQZARYXRKBV-VHDGCEQUSA-N 0 0 334.416 2.252 40 0 EEABRN C[C@@H](NC(=O)COC[C@H]1CCCO1)c1cccc(-n2ccnc2)c1 ZINC000096432097 463261469 /nfs/dbraw/zinc/26/14/69/463261469.db2.gz YONALOFQUAJLIP-RHSMWYFYSA-N 0 0 329.400 2.245 40 0 EEABRN C[C@@](O)(CNC(=O)Nc1cnn(-c2ccccn2)c1)c1ccsc1 ZINC000096435182 463263908 /nfs/dbraw/zinc/26/39/08/463263908.db2.gz QCBWRIKBBAWBBX-MRXNPFEDSA-N 0 0 343.412 2.358 40 0 EEABRN C[C@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000096440434 463267466 /nfs/dbraw/zinc/26/74/66/463267466.db2.gz VPOQBFHJKOFHRC-LKFCYVNXSA-N 0 0 340.786 2.306 40 0 EEABRN CN(CCOc1ccccc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444974 463269643 /nfs/dbraw/zinc/26/96/43/463269643.db2.gz BXCXCSWULUJZIV-HOCLYGCPSA-N 0 0 329.437 2.492 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2ccc3ccccc3n2)cn1 ZINC000096450412 463271928 /nfs/dbraw/zinc/27/19/28/463271928.db2.gz MLXQVKQTNGXYRU-YXBWYFRISA-N 0 0 336.395 2.005 40 0 EEABRN CCc1cc(N2CCC(NC(=O)Nc3cccnc3)CC2)ncn1 ZINC000096451127 463272963 /nfs/dbraw/zinc/27/29/63/463272963.db2.gz MDOFDVPQNZBGHI-UHFFFAOYSA-N 0 0 326.404 2.225 40 0 EEABRN O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)[C@@]1(O)CCSC1 ZINC000096487448 463285047 /nfs/dbraw/zinc/28/50/47/463285047.db2.gz KPOSRLWOPXEVGX-OAHLLOKOSA-N 0 0 337.832 2.010 40 0 EEABRN O=C([N-][C@H]1C[N@H+](CCCO)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496453 463289165 /nfs/dbraw/zinc/28/91/65/463289165.db2.gz PKMCUJUNGFRVHB-KGLIPLIRSA-N 0 0 348.340 2.045 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1cccc(F)c1 ZINC000096521399 463294311 /nfs/dbraw/zinc/29/43/11/463294311.db2.gz ZCVWERPWQZECQY-MNOVXSKESA-N 0 0 325.199 2.405 40 0 EEABRN OCC[C@@](CCN1CCOCC1)(c1ccccc1)C1(O)CCCC1 ZINC000031794787 463354397 /nfs/dbraw/zinc/35/43/97/463354397.db2.gz RJJMFZDUICQIPZ-IBGZPJMESA-N 0 0 333.472 2.334 40 0 EEABRN O=C(NCc1ccc(F)cc1)NCC1CCN(c2cnccn2)CC1 ZINC000070930724 463394244 /nfs/dbraw/zinc/39/42/44/463394244.db2.gz HEKSKAAJTAAJAB-UHFFFAOYSA-N 0 0 343.406 2.332 40 0 EEABRN CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033616043 463424336 /nfs/dbraw/zinc/42/43/36/463424336.db2.gz PXZKULFMCTYGQR-UHFFFAOYSA-N 0 0 332.853 2.123 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000040625617 463463143 /nfs/dbraw/zinc/46/31/43/463463143.db2.gz CVKNPAVCIGRBIY-UHFFFAOYSA-N 0 0 328.390 2.048 40 0 EEABRN CCc1cc(Br)c(OC)c(C(=O)N2CCN(C)CC2)c1 ZINC000057339318 463480408 /nfs/dbraw/zinc/48/04/08/463480408.db2.gz RWDUJEPBORCMGT-UHFFFAOYSA-N 0 0 341.249 2.408 40 0 EEABRN O=C(c1ccccc1)N1CCN(c2ccccc2-n2cnnc2)CC1 ZINC000057354568 463480909 /nfs/dbraw/zinc/48/09/09/463480909.db2.gz XWEZURQPPYYVJX-UHFFFAOYSA-N 0 0 333.395 2.230 40 0 EEABRN C[C@]1(C(=O)N2CCSCC2)Oc2ccc(Cl)cc2NC1=O ZINC000041550499 463493536 /nfs/dbraw/zinc/49/35/36/463493536.db2.gz CXHVJBQXSHKKSR-AWEZNQCLSA-N 0 0 326.805 2.005 40 0 EEABRN NC(=O)N1CCC[C@H]1C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083007559 463529791 /nfs/dbraw/zinc/52/97/91/463529791.db2.gz CKEGKNANASBOOI-HNNXBMFYSA-N 0 0 333.819 2.499 40 0 EEABRN CC(C)(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cc1 ZINC000042032880 463534278 /nfs/dbraw/zinc/53/42/78/463534278.db2.gz AGSQXIRHVQWZLC-LBPRGKRZSA-N 0 0 346.431 2.400 40 0 EEABRN CC1(C)CN(C(=O)NCC[S@@](=O)c2ccccc2)CCS1 ZINC000083653917 463553177 /nfs/dbraw/zinc/55/31/77/463553177.db2.gz XKEXUYRTOVZQPD-NRFANRHFSA-N 0 0 326.487 2.331 40 0 EEABRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](O)c1ccccc1 ZINC000072865159 463557080 /nfs/dbraw/zinc/55/70/80/463557080.db2.gz LOBXPXJOMPJYEY-GOSISDBHSA-N 0 0 338.407 2.271 40 0 EEABRN O=S(=O)(NCCCCn1cnnc1)c1cccc2ccccc21 ZINC000083996702 463573144 /nfs/dbraw/zinc/57/31/44/463573144.db2.gz LGINQFAUHLOWBL-UHFFFAOYSA-N 0 0 330.413 2.190 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529580 463610224 /nfs/dbraw/zinc/61/02/24/463610224.db2.gz UTZPUANXIVJNPZ-FQEVSTJZSA-N 0 0 348.487 2.444 40 0 EEABRN CC(C)(C)n1ccnc1SC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085251382 463642732 /nfs/dbraw/zinc/64/27/32/463642732.db2.gz MKSIQPMBSRTRKL-LBPRGKRZSA-N 0 0 331.507 2.402 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)N(C)C2CCCC2)ccc1OC ZINC000044843484 463695650 /nfs/dbraw/zinc/69/56/50/463695650.db2.gz VXGWMKANOPSCDL-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN C/C=C/c1ccc(OCC(=O)NC2CCN(C(C)=O)CC2)c(OC)c1 ZINC000044869609 463697112 /nfs/dbraw/zinc/69/71/12/463697112.db2.gz KSMKIVGDGSSXLL-SNAWJCMRSA-N 0 0 346.427 2.234 40 0 EEABRN CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C(C)=O)CC2)nn1C ZINC000257259249 463757310 /nfs/dbraw/zinc/75/73/10/463757310.db2.gz KXMZZKATNVNUTN-WKILWMFISA-N 0 0 334.464 2.151 40 0 EEABRN CCc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257281289 463760387 /nfs/dbraw/zinc/76/03/87/463760387.db2.gz OOLHNNUQFFMLDV-JFIYKMOQSA-N 0 0 330.428 2.433 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)ccn1 ZINC000257286487 463763598 /nfs/dbraw/zinc/76/35/98/463763598.db2.gz PLTOHHFMDYVMNQ-MRXNPFEDSA-N 0 0 341.459 2.220 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 ZINC000257289760 463764659 /nfs/dbraw/zinc/76/46/59/463764659.db2.gz QABUSUKHIPPISV-MRXNPFEDSA-N 0 0 336.399 2.232 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257293819 463765416 /nfs/dbraw/zinc/76/54/16/463765416.db2.gz QRHOBYAGCQORAI-HNNXBMFYSA-N 0 0 339.443 2.500 40 0 EEABRN O=C(Cc1ccccc1)N[C@@H]1CC[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O ZINC000257297500 463767828 /nfs/dbraw/zinc/76/78/28/463767828.db2.gz RHNAJFWGNUQKJB-RARDXLECSA-N 0 0 338.407 2.110 40 0 EEABRN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](c2cnccn2)C1 ZINC000257305898 463770020 /nfs/dbraw/zinc/77/00/20/463770020.db2.gz SRZXNZCIVZPAKQ-AWEZNQCLSA-N 0 0 338.411 2.476 40 0 EEABRN Cc1ncc(-c2ccc(C[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)n1C ZINC000257307516 463771406 /nfs/dbraw/zinc/77/14/06/463771406.db2.gz SYZNGAYYONVLNQ-HNNXBMFYSA-N 0 0 348.472 2.005 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3cscn3)CCN2C(C)=O)cc1 ZINC000257315849 463774587 /nfs/dbraw/zinc/77/45/87/463774587.db2.gz VCZVXDIOOXBORF-INIZCTEOSA-N 0 0 345.424 2.197 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccccc1F ZINC000257318368 463776452 /nfs/dbraw/zinc/77/64/52/463776452.db2.gz VNPUWONGTJMEGA-PBHICJAKSA-N 0 0 336.407 2.230 40 0 EEABRN CC1CCN(C(=O)C2(C)CCN(c3ccc(N(C)C)nn3)CC2)CC1 ZINC000257325046 463778532 /nfs/dbraw/zinc/77/85/32/463778532.db2.gz WRFCQISJUPNEHQ-UHFFFAOYSA-N 0 0 345.491 2.408 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000257341907 463786066 /nfs/dbraw/zinc/78/60/66/463786066.db2.gz ZMJMGIIAJNRCEE-OAHLLOKOSA-N 0 0 349.398 2.184 40 0 EEABRN COc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340347 463786560 /nfs/dbraw/zinc/78/65/60/463786560.db2.gz ZFPQQMORLXQGCH-IBGZPJMESA-N 0 0 340.427 2.065 40 0 EEABRN CNC(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)CC2)ncn1 ZINC000257343359 463787167 /nfs/dbraw/zinc/78/71/67/463787167.db2.gz ZSOWTICDHPPHGK-ZDUSSCGKSA-N 0 0 345.472 2.138 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257342906 463787700 /nfs/dbraw/zinc/78/77/00/463787700.db2.gz ZQODYSFMOIDYBS-ZDUSSCGKSA-N 0 0 343.431 2.472 40 0 EEABRN CCOc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260888367 463791994 /nfs/dbraw/zinc/79/19/94/463791994.db2.gz ANHUEHOPRGUONF-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@](=O)[C@H]2CCO[C@H]2C)cc1 ZINC000194621293 463897792 /nfs/dbraw/zinc/89/77/92/463897792.db2.gz RKSLSAIZMNWTEJ-GJYADEQXSA-N 0 0 337.485 2.395 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000222783011 464133695 /nfs/dbraw/zinc/13/36/95/464133695.db2.gz HETQAUOLBWDEHQ-UHFFFAOYSA-N 0 0 327.362 2.195 40 0 EEABRN CCc1ccc(O[C@H](CC)C(=O)NCCCN2CCOCC2)cc1 ZINC000222889797 464134373 /nfs/dbraw/zinc/13/43/73/464134373.db2.gz XUTXTWUNYNWZRD-GOSISDBHSA-N 0 0 334.460 2.245 40 0 EEABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)[nH]1 ZINC000223605081 464145153 /nfs/dbraw/zinc/14/51/53/464145153.db2.gz IJDKGQSMBZUOOF-HZPDHXFCSA-N 0 0 330.457 2.381 40 0 EEABRN COc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1OC ZINC000224292881 464149507 /nfs/dbraw/zinc/14/95/07/464149507.db2.gz GCEOTCXKCSQRHW-UHFFFAOYSA-N 0 0 330.388 2.429 40 0 EEABRN CCN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224463116 464151580 /nfs/dbraw/zinc/15/15/80/464151580.db2.gz LUBHLHXTHMQFTL-UHFFFAOYSA-N 0 0 348.424 2.005 40 0 EEABRN CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225233451 464154112 /nfs/dbraw/zinc/15/41/12/464154112.db2.gz NVVPVHFXHNMEGL-LBPRGKRZSA-N 0 0 346.880 2.262 40 0 EEABRN Cc1cccc(CS(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000225257600 464155454 /nfs/dbraw/zinc/15/54/54/464155454.db2.gz UJSYOYAJYZEMHW-HNNXBMFYSA-N 0 0 333.409 2.254 40 0 EEABRN COc1ncccc1C(=O)Cn1c(=O)onc1-c1ccccc1C ZINC000225440700 464159617 /nfs/dbraw/zinc/15/96/17/464159617.db2.gz XUIYVNNLOLXASY-UHFFFAOYSA-N 0 0 325.324 2.098 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225452157 464161365 /nfs/dbraw/zinc/16/13/65/464161365.db2.gz FTMCXKHAUXIYFE-CQSZACIVSA-N 0 0 330.388 2.084 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 ZINC000225472871 464164062 /nfs/dbraw/zinc/16/40/62/464164062.db2.gz PEONNYLCPVUDJK-INIZCTEOSA-N 0 0 338.367 2.133 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000225503347 464166216 /nfs/dbraw/zinc/16/62/16/464166216.db2.gz MJAIMBHPDZVSRW-HNNXBMFYSA-N 0 0 326.400 2.226 40 0 EEABRN Cc1nc2c([nH]1)C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000225516462 464167323 /nfs/dbraw/zinc/16/73/23/464167323.db2.gz KSSGBUTVRLINGF-AWEZNQCLSA-N 0 0 342.418 2.311 40 0 EEABRN Cc1c(C(=O)NCCc2ccc[nH]2)nnn1Cc1ccc(F)cc1 ZINC000225524655 464168768 /nfs/dbraw/zinc/16/87/68/464168768.db2.gz YHRVUPXVHCILPX-UHFFFAOYSA-N 0 0 327.363 2.075 40 0 EEABRN CC(C)n1cnc(S(=O)(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)c1 ZINC000225602939 464175336 /nfs/dbraw/zinc/17/53/36/464175336.db2.gz ACKVNHGEVWXCAX-ZDUSSCGKSA-N 0 0 349.456 2.308 40 0 EEABRN COC(C)(C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000225599610 464175793 /nfs/dbraw/zinc/17/57/93/464175793.db2.gz CPLPGZXIEXLRPV-UHFFFAOYSA-N 0 0 336.432 2.151 40 0 EEABRN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1c(C)noc1C ZINC000225711366 464182117 /nfs/dbraw/zinc/18/21/17/464182117.db2.gz LIOCJKMZVGSGLY-SFHVURJKSA-N 0 0 330.384 2.254 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@H]3C)OCC(=O)N2C)cc1 ZINC000230173796 464204026 /nfs/dbraw/zinc/20/40/26/464204026.db2.gz FJYYRUSYHUZOHJ-OLMNPRSZSA-N 0 0 330.428 2.294 40 0 EEABRN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)o1 ZINC000241383562 464451522 /nfs/dbraw/zinc/45/15/22/464451522.db2.gz MWFHFCTWBTZFLZ-OCCSQVGLSA-N 0 0 342.461 2.176 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000190144779 464602973 /nfs/dbraw/zinc/60/29/73/464602973.db2.gz HBJWGAWJYNROLI-SFHVURJKSA-N 0 0 336.480 2.162 40 0 EEABRN COc1ncccc1CN1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247832673 464709575 /nfs/dbraw/zinc/70/95/75/464709575.db2.gz HWKTUXWSSPQWJB-KRWDZBQOSA-N 0 0 328.416 2.098 40 0 EEABRN O=C(C1CCOCC1)N1Cc2cccn2[C@@H](COc2ccccn2)C1 ZINC000247851134 464710634 /nfs/dbraw/zinc/71/06/34/464710634.db2.gz ISLPSUPGBYHEIL-QGZVFWFLSA-N 0 0 341.411 2.272 40 0 EEABRN Cc1cccc(CN2C[C@H]3C[C@@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000247871057 464711073 /nfs/dbraw/zinc/71/10/73/464711073.db2.gz LHTUSJUULCRNKZ-CZUORRHYSA-N 0 0 349.481 2.004 40 0 EEABRN c1cnc(N2CC3(C2)OCC[C@H]3CCOCc2cccnc2)nc1 ZINC000247902794 464713807 /nfs/dbraw/zinc/71/38/07/464713807.db2.gz WGBBAZOKIIJFOP-MRXNPFEDSA-N 0 0 326.400 2.074 40 0 EEABRN c1cnc(N2CC3(C2)OCC[C@@H]3CCOCc2cccnc2)nc1 ZINC000247902790 464713900 /nfs/dbraw/zinc/71/39/00/464713900.db2.gz WGBBAZOKIIJFOP-INIZCTEOSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@H]3COCc2ccncc2)no1 ZINC000247949652 464716796 /nfs/dbraw/zinc/71/67/96/464716796.db2.gz XTQDVMRJERVYQK-INIZCTEOSA-N 0 0 329.400 2.186 40 0 EEABRN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000248061952 464726842 /nfs/dbraw/zinc/72/68/42/464726842.db2.gz DKXOTTPAYPGLTE-OGWOLHLISA-N 0 0 344.411 2.431 40 0 EEABRN Cn1cc(CN2CC3(C2)OCC[C@@H]3CCOc2ncccc2F)cn1 ZINC000248110694 464730367 /nfs/dbraw/zinc/73/03/67/464730367.db2.gz HBKJRPDZCABEHY-HNNXBMFYSA-N 0 0 346.406 2.014 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@@H](OCc1cccnc1)CCO2 ZINC000248108634 464731091 /nfs/dbraw/zinc/73/10/91/464731091.db2.gz GPKKMABHCLSIKG-INIZCTEOSA-N 0 0 341.411 2.011 40 0 EEABRN CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000248151287 464735233 /nfs/dbraw/zinc/73/52/33/464735233.db2.gz UEBNHOHFVXTBMN-RHSMWYFYSA-N 0 0 326.444 2.484 40 0 EEABRN Cc1noc(C)c1CN1CC2(C1)CC[C@@H](CNC(=O)C(C)C)CO2 ZINC000248181654 464737179 /nfs/dbraw/zinc/73/71/79/464737179.db2.gz ZBDSGSDIYXHXLU-HNNXBMFYSA-N 0 0 335.448 2.045 40 0 EEABRN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)O1 ZINC000249100413 464842078 /nfs/dbraw/zinc/84/20/78/464842078.db2.gz NMTAUGKBRACVCE-BZSNNMDCSA-N 0 0 344.455 2.423 40 0 EEABRN C[C@@H]1CCN(Cc2cn(C)nc2-c2cccs2)CCS1(=O)=O ZINC000192048771 464856119 /nfs/dbraw/zinc/85/61/19/464856119.db2.gz QJEBXZBMGCFVIC-GFCCVEGCSA-N 0 0 339.486 2.158 40 0 EEABRN CC(C)(COCc1ccccc1)C(=O)Nc1ncc(C(N)=O)s1 ZINC000252478515 464959280 /nfs/dbraw/zinc/95/92/80/464959280.db2.gz AORJQJZQWODOLA-UHFFFAOYSA-N 0 0 333.413 2.424 40 0 EEABRN O=C(CC1OCCCO1)N1Cc2ccc(Br)cc2C1 ZINC000252479201 464960350 /nfs/dbraw/zinc/96/03/50/464960350.db2.gz BAULUNHUOVOVEQ-UHFFFAOYSA-N 0 0 326.190 2.444 40 0 EEABRN CCOC1(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CCCC1 ZINC000252486144 464963941 /nfs/dbraw/zinc/96/39/41/464963941.db2.gz HICIOYJXUIVLSM-UHFFFAOYSA-N 0 0 344.415 2.241 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@@H](c2nccs2)C2CC2)C[C@H]1C ZINC000252490704 464966228 /nfs/dbraw/zinc/96/62/28/464966228.db2.gz KZGVYHMOCHTRRZ-NSODJVPESA-N 0 0 337.445 2.435 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N[C@@H]2CCC(=O)NC23CCC3)o1 ZINC000252491266 464967083 /nfs/dbraw/zinc/96/70/83/464967083.db2.gz LKBILXMKIFNXQD-SWLSCSKDSA-N 0 0 333.432 2.410 40 0 EEABRN COc1ccccc1C(=O)NCC1CCN(c2ncc(F)cn2)CC1 ZINC000252497803 464969740 /nfs/dbraw/zinc/96/97/40/464969740.db2.gz QQQOYIWCOWSXRP-UHFFFAOYSA-N 0 0 344.390 2.271 40 0 EEABRN CSc1nn(C)c(NC(=O)[C@@H]2CCCC(F)(F)C2)c1C(N)=O ZINC000252499208 464970991 /nfs/dbraw/zinc/97/09/91/464970991.db2.gz RXCQWURPLSAGOV-SSDOTTSWSA-N 0 0 332.376 2.005 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCOCC3)CCO2)n1 ZINC000252505420 464973674 /nfs/dbraw/zinc/97/36/74/464973674.db2.gz VRIJEHYRNMMANW-STQMWFEESA-N 0 0 325.434 2.104 40 0 EEABRN CCSc1ccccc1C(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 ZINC000252539493 464983373 /nfs/dbraw/zinc/98/33/73/464983373.db2.gz OCSIXZFOGCXVQR-LBPRGKRZSA-N 0 0 329.425 2.169 40 0 EEABRN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000253370755 464994047 /nfs/dbraw/zinc/99/40/47/464994047.db2.gz VNUUHMCUVOOJHV-YIFBXAAPSA-N 0 0 330.428 2.017 40 0 EEABRN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000253370754 464994930 /nfs/dbraw/zinc/99/49/30/464994930.db2.gz VNUUHMCUVOOJHV-UDVXPWBQSA-N 0 0 330.428 2.017 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253392585 464997844 /nfs/dbraw/zinc/99/78/44/464997844.db2.gz HBVIYICPAMINPQ-JTQLQIEISA-N 0 0 347.337 2.288 40 0 EEABRN Cc1c2ccccc2oc1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000253394546 464999291 /nfs/dbraw/zinc/99/92/91/464999291.db2.gz HWOMAMJCAHSNHD-LBPRGKRZSA-N 0 0 336.413 2.070 40 0 EEABRN c1csc(N2CCCN(Cc3ncnn3-c3ccccc3)CC2)n1 ZINC000253397011 465000143 /nfs/dbraw/zinc/00/01/43/465000143.db2.gz SPVPAZGDRKEWAK-UHFFFAOYSA-N 0 0 340.456 2.436 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)o1 ZINC000253416616 465004404 /nfs/dbraw/zinc/00/44/04/465004404.db2.gz RURBOKAXJFAGMO-RRQGHBQHSA-N 0 0 335.448 2.024 40 0 EEABRN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H](c2ccsc2)O1 ZINC000253428096 465012437 /nfs/dbraw/zinc/01/24/37/465012437.db2.gz HHAUPKNGBACILJ-DGCLKSJQSA-N 0 0 343.470 2.004 40 0 EEABRN Cc1nccn1-c1ccc(CNc2nc3n[nH]cc3c(=O)[nH]2)cc1F ZINC000302279932 466130635 /nfs/dbraw/zinc/13/06/35/466130635.db2.gz IVXKBOSSSVWWSY-UHFFFAOYSA-N 0 0 339.334 2.304 40 0 EEABRN COCC[C@H]1COCCN1C(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000332074160 466373829 /nfs/dbraw/zinc/37/38/29/466373829.db2.gz DWNUCYMVJWPDSN-ZDUSSCGKSA-N 0 0 349.456 2.335 40 0 EEABRN O=C(C1CC(F)(F)C1)N1C[C@@H]2OC[C@H](CCOCC3CC3)[C@@H]2C1 ZINC000306124758 466487756 /nfs/dbraw/zinc/48/77/56/466487756.db2.gz BYNCJGKJTPCHDP-QEJZJMRPSA-N 0 0 329.387 2.322 40 0 EEABRN Cc1ccc(CN2Cc3cccn3[C@H](COCC(=O)N(C)C)C2)o1 ZINC000306135878 466492241 /nfs/dbraw/zinc/49/22/41/466492241.db2.gz PDRLWQMDUFLXPP-INIZCTEOSA-N 0 0 331.416 2.051 40 0 EEABRN CN1Cc2c(C(=O)NCc3ccccc3)cnn2-c2ncccc2C1 ZINC000306144261 466494727 /nfs/dbraw/zinc/49/47/27/466494727.db2.gz ZAPLVWLHKUDAQN-UHFFFAOYSA-N 0 0 333.395 2.143 40 0 EEABRN CSc1ncc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cn1 ZINC000408529507 466680313 /nfs/dbraw/zinc/68/03/13/466680313.db2.gz HNIJQGVVROVVOA-UHFFFAOYSA-N 0 0 346.364 2.009 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408595275 466681757 /nfs/dbraw/zinc/68/17/57/466681757.db2.gz URUJHOJOTWAXMQ-CHWSQXEVSA-N 0 0 342.461 2.055 40 0 EEABRN COc1ccc([C@]2(O)CC(C)=NN2C(=O)[C@H](O)c2ccccc2)cc1 ZINC000408563238 466681550 /nfs/dbraw/zinc/68/15/50/466681550.db2.gz JXZYBEWZIVWYNG-IEBWSBKVSA-N 0 0 340.379 2.182 40 0 EEABRN CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409002882 466683960 /nfs/dbraw/zinc/68/39/60/466683960.db2.gz CALLVYMDKQKDRN-UHFFFAOYSA-N 0 0 344.864 2.409 40 0 EEABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O ZINC000409106399 466685608 /nfs/dbraw/zinc/68/56/08/466685608.db2.gz NGUGZFFHLSCBFZ-CVSYOPMASA-N 0 0 349.364 2.322 40 0 EEABRN Cc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000409058974 466685639 /nfs/dbraw/zinc/68/56/39/466685639.db2.gz QAADFZHYEJDLIO-GJZGRUSLSA-N 0 0 329.787 2.123 40 0 EEABRN CCn1cnnc1NC(=O)CSc1nc2ccccc2n1CC ZINC000390833890 467414180 /nfs/dbraw/zinc/41/41/80/467414180.db2.gz ONMKHFHCKSERKQ-UHFFFAOYSA-N 0 0 330.417 2.398 40 0 EEABRN CCn1ncc(CNC(=O)Nc2cc(-n3cccn3)ccc2C)n1 ZINC000529083244 467805759 /nfs/dbraw/zinc/80/57/59/467805759.db2.gz RPQLFRWDETXVAE-UHFFFAOYSA-N 0 0 325.376 2.114 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(C)C)CO3)c1 ZINC000575403244 468140584 /nfs/dbraw/zinc/14/05/84/468140584.db2.gz GYESNWXQYACZFB-INIZCTEOSA-N 0 0 344.455 2.388 40 0 EEABRN O=S1(=O)CC[C@H](N(CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419514 468143920 /nfs/dbraw/zinc/14/39/20/468143920.db2.gz AHGXAWXNMGNHEO-SFHVURJKSA-N 0 0 345.464 2.257 40 0 EEABRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccccc2)c1 ZINC000575423112 468143952 /nfs/dbraw/zinc/14/39/52/468143952.db2.gz YFIBJNLVWNSVRS-QGZVFWFLSA-N 0 0 344.436 2.216 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575605398 468146108 /nfs/dbraw/zinc/14/61/08/468146108.db2.gz OZRAWTQZPABUCH-AWEZNQCLSA-N 0 0 330.388 2.084 40 0 EEABRN O=C(Cc1ccccc1Cl)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575607837 468146308 /nfs/dbraw/zinc/14/63/08/468146308.db2.gz PRKKEONEJSMMEV-MRXNPFEDSA-N 0 0 336.863 2.500 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575606562 468146341 /nfs/dbraw/zinc/14/63/41/468146341.db2.gz PSNZPZOGTIFUDL-AWEZNQCLSA-N 0 0 335.766 2.492 40 0 EEABRN Cc1cc(F)c(F)cc1C(=O)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093363 468963352 /nfs/dbraw/zinc/96/33/52/468963352.db2.gz RGDWYGZLPZDIJK-HNNXBMFYSA-N 0 0 344.308 2.261 40 0 EEABRN C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)C1CCC1 ZINC000585097267 468965907 /nfs/dbraw/zinc/96/59/07/468965907.db2.gz HGAGIKFLFFBSMS-CYBMUJFWSA-N 0 0 344.459 2.188 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000585100926 468969336 /nfs/dbraw/zinc/96/93/36/468969336.db2.gz GXSOMGSLQGGCOO-LADRWXRNSA-N 0 0 345.418 2.171 40 0 EEABRN O=C(N[C@@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1)C1CC1 ZINC000585102434 468970409 /nfs/dbraw/zinc/97/04/09/468970409.db2.gz OABGKVCZKVWKEW-QGZVFWFLSA-N 0 0 342.439 2.367 40 0 EEABRN CCOCC(=O)N1CCc2[nH]nc(-c3ccc(OC)cc3)c2CC1 ZINC000585110374 468973752 /nfs/dbraw/zinc/97/37/52/468973752.db2.gz MITUUENTWDPPPM-UHFFFAOYSA-N 0 0 329.400 2.049 40 0 EEABRN C[C@H](CC(=O)N1CCO[C@@](C)(c2ccccc2)C1)N1CCCC1=O ZINC000585140984 468990844 /nfs/dbraw/zinc/99/08/44/468990844.db2.gz NNQZIXKZQJASKI-DNVCBOLYSA-N 0 0 330.428 2.162 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cccc(C)n3)C2)c1 ZINC000585268857 468996018 /nfs/dbraw/zinc/99/60/18/468996018.db2.gz BOBPUJSMUKAESH-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 ZINC000585181900 468996392 /nfs/dbraw/zinc/99/63/92/468996392.db2.gz BXGUJVFXLOKKAP-CQSZACIVSA-N 0 0 327.388 2.385 40 0 EEABRN OC[C@]1(Cc2ccccc2F)CN(Cc2ccc(F)cn2)CCO1 ZINC000585277165 469001492 /nfs/dbraw/zinc/00/14/92/469001492.db2.gz KRPKXISTYJIUNZ-SFHVURJKSA-N 0 0 334.366 2.166 40 0 EEABRN Cc1cnccc1C(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585277119 469002346 /nfs/dbraw/zinc/00/23/46/469002346.db2.gz LNXHZRIWUTXQTK-SFHVURJKSA-N 0 0 330.359 2.185 40 0 EEABRN CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000585278038 469003100 /nfs/dbraw/zinc/00/31/00/469003100.db2.gz PGUYAOVLEYMUBB-LJQANCHMSA-N 0 0 348.443 2.234 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)C2CCOCC2)C1 ZINC000585277765 469003379 /nfs/dbraw/zinc/00/33/79/469003379.db2.gz OZUKHMUIAIHWRV-GOSISDBHSA-N 0 0 337.391 2.249 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)ccn1 ZINC000585278381 469003774 /nfs/dbraw/zinc/00/37/74/469003774.db2.gz RXVAHFFCWDIBPK-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc2oc(C)cc2c1 ZINC000585277731 469003807 /nfs/dbraw/zinc/00/38/07/469003807.db2.gz KWZPWCWRKMNYSQ-GOSISDBHSA-N 0 0 330.384 2.238 40 0 EEABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2nccn2C)C1 ZINC000585279242 469005136 /nfs/dbraw/zinc/00/51/36/469005136.db2.gz XZCFTCIPYFGZFY-SFHVURJKSA-N 0 0 329.400 2.039 40 0 EEABRN COc1ncc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cn1 ZINC000585278892 469005175 /nfs/dbraw/zinc/00/51/75/469005175.db2.gz IGNPXGVSSVAOGG-WBVHZDCISA-N 0 0 331.391 2.050 40 0 EEABRN Cc1nonc1CN(C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585290087 469010647 /nfs/dbraw/zinc/01/06/47/469010647.db2.gz RRVBSSQUVZEHGC-RCCFBDPRSA-N 0 0 331.416 2.479 40 0 EEABRN CCOc1ccc(N(CC)S(=O)(=O)N2CCC(OC)CC2)cc1 ZINC000656620301 471786344 /nfs/dbraw/zinc/78/63/44/471786344.db2.gz CCHMQMOORDXUQW-UHFFFAOYSA-N 0 0 342.461 2.267 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000189526025 534123244 /nfs/dbraw/zinc/12/32/44/534123244.db2.gz XKYYLHZUDDLMBH-OLZOCXBDSA-N 0 0 338.452 2.336 40 0 EEABRN CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1noc(C(C)(C)C)n1 ZINC000096484195 519822393 /nfs/dbraw/zinc/82/23/93/519822393.db2.gz KMQQBRMKQXOOKQ-LBPRGKRZSA-N 0 0 326.441 2.209 40 0 EEABRN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096461438 534468673 /nfs/dbraw/zinc/46/86/73/534468673.db2.gz OEWJCNHMFONXLB-RDJZCZTQSA-N 0 0 347.463 2.012 40 0 EEABRN O=C(C1=CCCC1)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 ZINC000096209763 526273911 /nfs/dbraw/zinc/27/39/11/526273911.db2.gz IVFSHURNEYJQPU-HNNXBMFYSA-N 0 0 328.416 2.309 40 0 EEABRN O[C@H](COc1ccccc1Cl)CN1CCN(c2ccccn2)CC1 ZINC000022574594 526293339 /nfs/dbraw/zinc/29/33/39/526293339.db2.gz BPQGVGUVQRMDHL-HNNXBMFYSA-N 0 0 347.846 2.297 40 0 EEABRN CC(C)(CNC(=O)NC[C@]1(O)CCOC1)Cc1cccc(Cl)c1 ZINC000179620069 527136275 /nfs/dbraw/zinc/13/62/75/527136275.db2.gz DIFNYRXQVRPPHN-QGZVFWFLSA-N 0 0 340.851 2.359 40 0 EEABRN CCN1C[C@H](C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1=O ZINC000131875869 527956320 /nfs/dbraw/zinc/95/63/20/527956320.db2.gz LHCZZFSPRDHVME-SKDRFNHKSA-N 0 0 345.226 2.011 40 0 EEABRN CCCCc1nc(CN2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)c[nH]1 ZINC000257230689 535102140 /nfs/dbraw/zinc/10/21/40/535102140.db2.gz GDLLMXUJYMMKOR-OAHLLOKOSA-N 0 0 331.420 2.130 40 0 EEABRN CCCCc1nc(CN2CCO[C@@H](c3nc(CN(C)C)c[nH]3)C2)c[nH]1 ZINC000257239654 535102488 /nfs/dbraw/zinc/10/24/88/535102488.db2.gz HQGMUEAOBHZGHS-MRXNPFEDSA-N 0 0 346.479 2.111 40 0 EEABRN CCOc1ccc(NC(=S)N(C)C2CCS(=O)(=O)CC2)cc1 ZINC000225219016 535750195 /nfs/dbraw/zinc/75/01/95/535750195.db2.gz VINCRWZMBBOFJU-UHFFFAOYSA-N 0 0 342.486 2.291 40 0 EEABRN COC(=O)Cc1occc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000225803844 536373853 /nfs/dbraw/zinc/37/38/53/536373853.db2.gz FAOHGDMQIYLFHQ-NSHDSACASA-N 0 0 334.397 2.471 40 0 EEABRN COCCNC(=S)Nc1nc(C)cc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000225899212 536892108 /nfs/dbraw/zinc/89/21/08/536892108.db2.gz GGYNKSXEWAREOK-VXGBXAGGSA-N 0 0 337.493 2.200 40 0 EEABRN CCc1ncnc(N(C)Cc2ncc(Br)cn2)c1F ZINC000895331602 684506986 /nfs/dbraw/zinc/50/69/86/684506986.db2.gz ZJLAHZKLQKVZJN-UHFFFAOYSA-N 0 0 326.173 2.367 40 0 EEABRN Cc1ccccc1[C@@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000935684190 1208199566 /nfs/dbraw/zinc/19/95/66/1208199566.db2.gz HVCPWAVQYUBRKQ-CQSZACIVSA-N 0 0 346.452 2.371 40 0 EEABRN c1nnc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)s1 ZINC000929559726 1410231766 /nfs/dbraw/zinc/23/17/66/1410231766.db2.gz OVCZSVPOQKLMBM-UHFFFAOYSA-N 0 0 340.456 2.042 40 0 EEABRN COc1cc(Br)cc(C(=O)NC(C)(C)c2cn[nH]n2)c1 ZINC000822354650 787165559 /nfs/dbraw/zinc/16/55/59/787165559.db2.gz WUICKFUXSOXLQJ-UHFFFAOYSA-N 0 0 339.193 2.241 40 0 EEABRN C[C@]1([C@H](O)CO)C=C2CC[C@@H]3[C@H](C[C@@H](O)C[C@]3(C)CO)[C@]2(C)CC1 ZINC001529051570 1121289292 /nfs/dbraw/zinc/28/92/92/1121289292.db2.gz MWHBZBYJEPTBBI-PDEMJFSWSA-N 0 0 338.488 2.252 40 0 EEABRN CC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)C(=O)c1ccccc1 ZINC000408673910 529712658 /nfs/dbraw/zinc/71/26/58/529712658.db2.gz XZRDEPNQDSXNHF-HIFUNWJGSA-N 0 0 328.364 2.389 40 0 EEABRN O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1)c1ccc(Cl)cc1 ZINC000000174472 295700524 /nfs/dbraw/zinc/70/05/24/295700524.db2.gz BVZSAQSHJSCTMX-KPWCQOOUSA-N 0 0 342.782 2.182 40 0 EEABRN O=C(CCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000010744609 201803269 /nfs/dbraw/zinc/80/32/69/201803269.db2.gz IFWLKDDWVSIJLR-UHFFFAOYSA-N 0 0 327.336 2.393 40 0 EEABRN CCc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2cc3occc3n21 ZINC000012115462 201826261 /nfs/dbraw/zinc/82/62/61/201826261.db2.gz MNKBLAXCXWMKOD-GFCCVEGCSA-N 0 0 342.399 2.063 40 0 EEABRN C[C@H](c1ccncn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000013888554 201920225 /nfs/dbraw/zinc/92/02/25/201920225.db2.gz ZVQLILUCRUIFNH-BDJLRTHQSA-N 0 0 331.326 2.038 40 0 in-vitro EEABRN Cc1cc(CNc2nnc([C@@H]3CCCO3)o2)ccc1-n1cncn1 ZINC000181798778 234325505 /nfs/dbraw/zinc/32/55/05/234325505.db2.gz KKTKJRNHQDCCKJ-AWEZNQCLSA-N 0 0 326.360 2.422 40 0 EEABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@H](C)N1CCOCC1)C3 ZINC000019236549 202000497 /nfs/dbraw/zinc/00/04/97/202000497.db2.gz UIFUBRYQDMBJGS-AWEZNQCLSA-N 0 0 327.428 2.082 40 0 EEABRN Cc1ccc(-c2noc([C@@H]3CCN3C(=O)c3ccc(=O)[nH]n3)n2)s1 ZINC000019217539 202001709 /nfs/dbraw/zinc/00/17/09/202001709.db2.gz ODWCFGYBBTYCLV-JTQLQIEISA-N 0 0 343.368 2.189 40 0 EEABRN CC(C)[C@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445605 202006765 /nfs/dbraw/zinc/00/67/65/202006765.db2.gz VTRPFXUUUCLQBM-KRWDZBQOSA-N 0 0 349.394 2.354 40 0 EEABRN CCN1C[C@@H](C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1=O ZINC000019526917 202009946 /nfs/dbraw/zinc/00/99/46/202009946.db2.gz MQJTZLQGGOXSIC-GJZGRUSLSA-N 0 0 346.427 2.236 40 0 EEABRN Cc1cc(=O)cc([C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)[nH]1 ZINC000019570211 202012090 /nfs/dbraw/zinc/01/20/90/202012090.db2.gz FEFUKZLLWHXXEO-ZDUSSCGKSA-N 0 0 326.400 2.304 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000019573573 202014006 /nfs/dbraw/zinc/01/40/06/202014006.db2.gz VFYVJXYADLHGDX-AWEZNQCLSA-N 0 0 331.441 2.260 40 0 EEABRN Cc1nc(CN(C)[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)no1 ZINC000183717526 235205845 /nfs/dbraw/zinc/20/58/45/235205845.db2.gz VRZGBWSBZFVNNK-CYBMUJFWSA-N 0 0 338.770 2.408 40 0 EEABRN COc1ccccc1C(=O)Nc1c(C(N)=O)cnn1-c1ccccc1 ZINC000020799591 202055047 /nfs/dbraw/zinc/05/50/47/202055047.db2.gz AIEGNLPGULXADS-UHFFFAOYSA-N 0 0 336.351 2.232 40 0 EEABRN COC(=O)C1(NC(=O)CCOc2ccccc2OC)CCCCC1 ZINC000040040554 202166504 /nfs/dbraw/zinc/16/65/04/202166504.db2.gz YRTYVGFNUOQIAI-UHFFFAOYSA-N 0 0 335.400 2.456 40 0 EEABRN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1F ZINC000030289657 202194475 /nfs/dbraw/zinc/19/44/75/202194475.db2.gz CFDCKDVBZMJWOJ-UHFFFAOYSA-N 0 0 327.352 2.494 40 0 EEABRN Cc1csc([C@H](C)CNC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000186808521 236028555 /nfs/dbraw/zinc/02/85/55/236028555.db2.gz GKYYZLACTHZAPI-YPMHNXCESA-N 0 0 334.449 2.193 40 0 EEABRN CN1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 ZINC000034704260 202276047 /nfs/dbraw/zinc/27/60/47/202276047.db2.gz CLHFTYYWNNNVGA-UHFFFAOYSA-N 0 0 334.807 2.097 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCc1cccc2ccccc21 ZINC000069924354 202299568 /nfs/dbraw/zinc/29/95/68/202299568.db2.gz FOIGWPVLTQHWTR-AWEZNQCLSA-N 0 0 348.468 2.457 40 0 EEABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)c1 ZINC000072322112 202364445 /nfs/dbraw/zinc/36/44/45/202364445.db2.gz ZHODSZSSMJZHFR-INIZCTEOSA-N 0 0 339.399 2.382 40 0 biogenic,in-vitro EEABRN COC(=O)[C@H](c1ccccc1F)N1CCN(Cc2cc(C)no2)CC1 ZINC000072558432 202365874 /nfs/dbraw/zinc/36/58/74/202365874.db2.gz OXCWNPYPMUXKSO-KRWDZBQOSA-N 0 0 347.390 2.154 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1 ZINC000073117503 202369145 /nfs/dbraw/zinc/36/91/45/202369145.db2.gz SRGHFCBHEQIIHL-CYBMUJFWSA-N 0 0 335.448 2.394 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166325 202378192 /nfs/dbraw/zinc/37/81/92/202378192.db2.gz OVDHBSNVULTPIC-SJCJKPOMSA-N 0 0 340.383 2.244 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2cccc(C(C)C)c2)n1 ZINC000077837265 202395373 /nfs/dbraw/zinc/39/53/73/202395373.db2.gz PZHWSIQDNWMKDD-UHFFFAOYSA-N 0 0 330.388 2.189 40 0 EEABRN COCC(=O)N[C@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)C(C)C ZINC000078095438 202395423 /nfs/dbraw/zinc/39/54/23/202395423.db2.gz XIVOVDIYLMTOSY-ZBFHGGJFSA-N 0 0 338.835 2.231 40 0 EEABRN C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 ZINC000078556595 202397826 /nfs/dbraw/zinc/39/78/26/202397826.db2.gz MKXVKAIAILRACN-JCURWCKSSA-N 0 0 337.383 2.409 40 0 EEABRN Cn1nc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)ccc1=O ZINC000078996929 202415398 /nfs/dbraw/zinc/41/53/98/202415398.db2.gz YMMBBYDNNHZCNB-HNNXBMFYSA-N 0 0 347.390 2.143 40 0 EEABRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CCn1cncn1 ZINC000079002008 202417129 /nfs/dbraw/zinc/41/71/29/202417129.db2.gz AYQUMVRITJJBJA-OAHLLOKOSA-N 0 0 334.395 2.417 40 0 EEABRN CC[C@@H](NC(=O)NCCOC)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000079028955 202417905 /nfs/dbraw/zinc/41/79/05/202417905.db2.gz UFNAAEZPGOIWIO-CHWSQXEVSA-N 0 0 334.338 2.463 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)Cn2ccc(C(F)(F)F)n2)c(C)o1 ZINC000080898807 202471200 /nfs/dbraw/zinc/47/12/00/202471200.db2.gz DYQMIDNLJWGGLG-CQSZACIVSA-N 0 0 345.321 2.136 40 0 EEABRN Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC000081317891 202476261 /nfs/dbraw/zinc/47/62/61/202476261.db2.gz ADDVOYIAHXFUOV-VIFPVBQESA-N 0 0 342.330 2.260 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 ZINC000028223573 212605534 /nfs/dbraw/zinc/60/55/34/212605534.db2.gz YIFRCSMOLQFOOU-CYBMUJFWSA-N 0 0 349.412 2.022 40 0 EEABRN Cc1cccc(CNC(=O)N2CCC[C@@H](O)C2)c1Br ZINC000190469502 238512467 /nfs/dbraw/zinc/51/24/67/238512467.db2.gz LUIRHWWJLMPQRW-GFCCVEGCSA-N 0 0 327.222 2.424 40 0 EEABRN COC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 ZINC000057327011 201138485 /nfs/dbraw/zinc/13/84/85/201138485.db2.gz KGVOOTCIEYSXAB-GFCCVEGCSA-N 0 0 337.335 2.416 40 0 EEABRN Cc1occc1C(=O)NC1CCN(Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191313059 239033395 /nfs/dbraw/zinc/03/33/95/239033395.db2.gz SCVWOUIMPQPLGJ-UHFFFAOYSA-N 0 0 345.447 2.329 40 0 EEABRN COc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1OCCO ZINC000281710687 201326282 /nfs/dbraw/zinc/32/62/82/201326282.db2.gz WONNGPZNYNZZLV-RYUDHWBXSA-N 0 0 325.430 2.032 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1OC ZINC000330032839 201362761 /nfs/dbraw/zinc/36/27/61/201362761.db2.gz SFIFMHPJJHLGKP-UHFFFAOYSA-N 0 0 335.381 2.307 40 0 EEABRN COC(=O)[C@@H](c1cccnc1)N1CCC(c2nncn2C(C)C)CC1 ZINC000096501256 291296033 /nfs/dbraw/zinc/29/60/33/291296033.db2.gz ZFLMJPKBDIUKCW-MRXNPFEDSA-N 0 0 343.431 2.348 40 0 EEABRN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000096462385 299339408 /nfs/dbraw/zinc/33/94/08/299339408.db2.gz IRPZCHIDVYVFPJ-XHDPSFHLSA-N 0 0 342.436 2.111 40 0 EEABRN C[C@H]1c2cccn2CCN1S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193412858 240155789 /nfs/dbraw/zinc/15/57/89/240155789.db2.gz DNWWRQBDXYMXET-AWEZNQCLSA-N 0 0 346.452 2.372 40 0 EEABRN O=C(C[C@@H]1CSc2nccc(=O)n21)N1CCCc2ccccc21 ZINC000012236224 283865824 /nfs/dbraw/zinc/86/58/24/283865824.db2.gz ZLIPFPRGXRVDOU-CYBMUJFWSA-N 0 0 327.409 2.260 40 0 EEABRN CCCC(=O)N[C@@H]1CCCN(c2ccc(S(=O)(=O)CC)cc2)C1 ZINC000195576150 241022957 /nfs/dbraw/zinc/02/29/57/241022957.db2.gz XWXBLJJYMDMTNW-CQSZACIVSA-N 0 0 338.473 2.365 40 0 EEABRN COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1 ZINC000225124242 241799577 /nfs/dbraw/zinc/79/95/77/241799577.db2.gz KHJMXHYPHHQJAM-UHFFFAOYSA-N 0 0 341.410 2.125 40 0 EEABRN COCCN(Cc1ccnn1C)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000225463091 241875730 /nfs/dbraw/zinc/87/57/30/241875730.db2.gz NAASIIKKTKYMEC-KRWDZBQOSA-N 0 0 341.411 2.155 40 0 EEABRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc2nnnn2c1 ZINC000225570353 241931713 /nfs/dbraw/zinc/93/17/13/241931713.db2.gz YSZSJFFUYJSEOK-UHFFFAOYSA-N 0 0 339.399 2.192 40 0 EEABRN CCOc1cccc(S(=O)(=O)NC2CCN(CC(F)F)CC2)c1 ZINC000225711352 241999613 /nfs/dbraw/zinc/99/96/13/241999613.db2.gz JPAOTKGQHXNKJA-UHFFFAOYSA-N 0 0 348.415 2.093 40 0 EEABRN CN(Cc1ccccc1)C(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225977767 242084360 /nfs/dbraw/zinc/08/43/60/242084360.db2.gz KACWYZASOGZNKZ-UHFFFAOYSA-N 0 0 346.452 2.284 40 0 EEABRN Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc(C(N)=O)cc1)ccc2=O ZINC000225756255 242021040 /nfs/dbraw/zinc/02/10/40/242021040.db2.gz ZNTAINRRXNWZMO-UHFFFAOYSA-N 0 0 349.390 2.356 40 0 EEABRN CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1Cl ZINC000225755791 242021334 /nfs/dbraw/zinc/02/13/34/242021334.db2.gz DZEFBPJLQKGKOZ-UHFFFAOYSA-N 0 0 326.824 2.191 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@@H](C)OC[C@H]2c2ccccc2)n(C)n1 ZINC000230112584 242234124 /nfs/dbraw/zinc/23/41/24/242234124.db2.gz HOSBSWGVURECIY-ZBFHGGJFSA-N 0 0 328.416 2.129 40 0 EEABRN O=C([C@H]1CCCO1)N1CCN(c2ccnc3c(F)ccc(F)c23)CC1 ZINC000068658296 296111973 /nfs/dbraw/zinc/11/19/73/296111973.db2.gz YWPIZWITCFFDTL-OAHLLOKOSA-N 0 0 347.365 2.341 40 0 EEABRN CCOC(=O)[C@](O)(C(=O)OC)c1ccc(N(C)c2ccccc2)cc1 ZINC000003845377 201582526 /nfs/dbraw/zinc/58/25/26/201582526.db2.gz KKTPUIUIYUMUNG-LJQANCHMSA-N 0 0 343.379 2.378 40 0 EEABRN COc1coc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1=O ZINC000242147509 243011556 /nfs/dbraw/zinc/01/15/56/243011556.db2.gz WSIJTIWUFYRSIW-GFCCVEGCSA-N 0 0 346.358 2.186 40 0 EEABRN Cc1nccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000067061334 202904424 /nfs/dbraw/zinc/90/44/24/202904424.db2.gz RDHYGZNPPBUDHK-INIZCTEOSA-N 0 0 330.363 2.207 40 0 EEABRN Cc1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1Br ZINC000040458949 203093195 /nfs/dbraw/zinc/09/31/95/203093195.db2.gz PLWKWOWIJLCGLW-NSHDSACASA-N 0 0 328.210 2.389 40 0 EEABRN C[C@]12C[C@H](c3ccccc3O1)n1c(=O)/c(=C/c3ccco3)sc1=N2 ZINC000071785114 203113139 /nfs/dbraw/zinc/11/31/39/203113139.db2.gz HOGBRSMHPBWVPG-BQBVYKKNSA-N 0 0 338.388 2.053 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2ccccn2)CS3)on1 ZINC000253600051 244032581 /nfs/dbraw/zinc/03/25/81/244032581.db2.gz DFGZRNQDHFCTCL-GFCCVEGCSA-N 0 0 331.397 2.157 40 0 EEABRN CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000071804400 203116362 /nfs/dbraw/zinc/11/63/62/203116362.db2.gz FJYUUHXYQCEODX-UHFFFAOYSA-N 0 0 334.376 2.100 40 0 EEABRN COc1cccc(CN2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202111 244121176 /nfs/dbraw/zinc/12/11/76/244121176.db2.gz AKMKJTABVXHXEY-LJQANCHMSA-N 0 0 340.427 2.404 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257202676 244123440 /nfs/dbraw/zinc/12/34/40/244123440.db2.gz AMVWAOYWIZIPCY-OAHLLOKOSA-N 0 0 348.406 2.356 40 0 EEABRN COCCN1C(=O)N(C2CCOCC2)[C@H]2CC[C@@H](c3cccnc3)[C@H]21 ZINC000257219538 244176178 /nfs/dbraw/zinc/17/61/78/244176178.db2.gz DHDHJXPBYHEUMX-OKZBNKHCSA-N 0 0 345.443 2.259 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2cc(C)ccc2F)C[C@@]12CCCO2 ZINC000257210175 244146922 /nfs/dbraw/zinc/14/69/22/244146922.db2.gz BTOBMUNHLRJICB-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ocnc1C ZINC000257221681 244187432 /nfs/dbraw/zinc/18/74/32/244187432.db2.gz DQBQTZACXVAHIE-JTOWHCCKSA-N 0 0 331.416 2.377 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccnc(NC)c2)n1 ZINC000257225146 244197461 /nfs/dbraw/zinc/19/74/61/244197461.db2.gz FFAXMTXXXANIDV-CYBMUJFWSA-N 0 0 329.404 2.365 40 0 EEABRN Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257229727 244209402 /nfs/dbraw/zinc/20/94/02/244209402.db2.gz FZGLDYXCJIUMSF-KRWDZBQOSA-N 0 0 331.441 2.165 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2Cc2csc(C)n2)n1 ZINC000257230872 244213811 /nfs/dbraw/zinc/21/38/11/244213811.db2.gz GEGPGEREOMCKJU-OAHLLOKOSA-N 0 0 331.445 2.215 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)Cc2cccnc2)CCN1C ZINC000257231758 244215370 /nfs/dbraw/zinc/21/53/70/244215370.db2.gz GIBMUSZFVIHYCF-KRWDZBQOSA-N 0 0 325.412 2.148 40 0 EEABRN CN(C(=O)CCCc1cn[nH]c1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257219952 244181087 /nfs/dbraw/zinc/18/10/87/244181087.db2.gz DIYSVELGYIWTJO-AOIWGVFYSA-N 0 0 343.427 2.162 40 0 EEABRN CS(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377663 203209127 /nfs/dbraw/zinc/20/91/27/203209127.db2.gz NXRRUWCEMAKTOI-CYBMUJFWSA-N 0 0 333.417 2.102 40 0 EEABRN Cc1cc(N2CCC(c3nccnc3Nc3ncccn3)CC2)ncn1 ZINC000072369017 203209494 /nfs/dbraw/zinc/20/94/94/203209494.db2.gz QSEAVAGYTBFNDI-UHFFFAOYSA-N 0 0 348.414 2.493 40 0 EEABRN Cc1cc(Nc2ccnc(CC3CCN(C(=O)C4CC4)CC3)n2)n[nH]1 ZINC000257233293 244219846 /nfs/dbraw/zinc/21/98/46/244219846.db2.gz GOQQPVGVQSGHQW-UHFFFAOYSA-N 0 0 340.431 2.443 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cnn(C)c1C ZINC000257232748 244221027 /nfs/dbraw/zinc/22/10/27/244221027.db2.gz GMFIIOCDHDBXIZ-SFHVURJKSA-N 0 0 342.443 2.143 40 0 EEABRN CCc1nccn1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355578 203205235 /nfs/dbraw/zinc/20/52/35/203205235.db2.gz SBDBNBWFPPACQA-CQSZACIVSA-N 0 0 335.415 2.399 40 0 EEABRN Cc1cc(N2CC[C@@H](Cc3cncc(-c4cncn4C)n3)C2)ncn1 ZINC000257241555 244244565 /nfs/dbraw/zinc/24/45/65/244244565.db2.gz HYMSJYVTHJPHNY-AWEZNQCLSA-N 0 0 335.415 2.045 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000257250056 244266236 /nfs/dbraw/zinc/26/62/36/244266236.db2.gz JKVJSWINWCYHPA-GFCCVEGCSA-N 0 0 339.848 2.456 40 0 EEABRN COc1ccc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255543 244281526 /nfs/dbraw/zinc/28/15/26/244281526.db2.gz KHWOMDDPSCKKTL-INIZCTEOSA-N 0 0 347.390 2.164 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 ZINC000257257503 244287739 /nfs/dbraw/zinc/28/77/39/244287739.db2.gz KPXFBCLRHYDOKT-CYBMUJFWSA-N 0 0 340.383 2.151 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3cc(C)c(C)[nH]c3=O)CCO2)ccn1 ZINC000257268189 244367398 /nfs/dbraw/zinc/36/73/98/244367398.db2.gz MKQCTQVCLHEGIM-INIZCTEOSA-N 0 0 327.384 2.321 40 0 EEABRN CS(=O)(=O)N1CCC(C(=O)NCc2cccc3ccccc32)CC1 ZINC000074377409 203286063 /nfs/dbraw/zinc/28/60/63/203286063.db2.gz DSNOKTAOTKULTN-UHFFFAOYSA-N 0 0 346.452 2.128 40 0 EEABRN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cnco3)CC[C@H]21 ZINC000257273182 244382940 /nfs/dbraw/zinc/38/29/40/244382940.db2.gz NFOJAZLPJUKGRE-BRWVUGGUSA-N 0 0 339.395 2.151 40 0 EEABRN CCc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1OC ZINC000074935037 203297589 /nfs/dbraw/zinc/29/75/89/203297589.db2.gz ZPNXMLGLILCQBM-UHFFFAOYSA-N 0 0 334.397 2.157 40 0 EEABRN O=C(C1CCCC1)N1CC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257294926 244445857 /nfs/dbraw/zinc/44/58/57/244445857.db2.gz QWHPAZJZLCYQAE-CYBMUJFWSA-N 0 0 325.416 2.448 40 0 EEABRN CCCOC1CCN(C(=O)c2cncc(-c3cnc(N)nc3)c2)CC1 ZINC000257344780 244580428 /nfs/dbraw/zinc/58/04/28/244580428.db2.gz ZYQJNFOOHICGDG-UHFFFAOYSA-N 0 0 341.415 2.152 40 0 EEABRN COCc1cnc2n1CCN(C(=O)COc1ccccc1C)[C@@H]2C ZINC000096109617 203837214 /nfs/dbraw/zinc/83/72/14/203837214.db2.gz SNKZJUMETNJWHX-CQSZACIVSA-N 0 0 329.400 2.320 40 0 EEABRN Cc1ccc(OC[C@H]2CO[C@@H]3CN(c4ncc(Cl)cn4)C[C@H]23)cn1 ZINC000096215479 203868892 /nfs/dbraw/zinc/86/88/92/203868892.db2.gz VBQFUFQTXLKCRY-APHBMKBZSA-N 0 0 346.818 2.364 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227577 203876952 /nfs/dbraw/zinc/87/69/52/203876952.db2.gz HNBODMXUCBZOLL-APWZRJJASA-N 0 0 327.428 2.127 40 0 EEABRN CC(C)N(CC(C)(C)O)C(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000096483811 203891512 /nfs/dbraw/zinc/89/15/12/203891512.db2.gz BSOITJMTPHDQIW-UHFFFAOYSA-N 0 0 337.449 2.224 40 0 EEABRN CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000041779754 204055650 /nfs/dbraw/zinc/05/56/50/204055650.db2.gz UNEGTYSPJWPRLU-ZDUSSCGKSA-N 0 0 348.424 2.391 40 0 EEABRN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc(O)cc3)[C@H]2C1 ZINC000107798433 204247906 /nfs/dbraw/zinc/24/79/06/204247906.db2.gz FGSKFNJEBBUUNV-MJGOQNOKSA-N 0 0 337.423 2.063 40 0 EEABRN CC(C)=CC(=O)N1CCC2(CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108526267 204266053 /nfs/dbraw/zinc/26/60/53/204266053.db2.gz VPTCPPLBWMALSI-UHFFFAOYSA-N 0 0 327.428 2.389 40 0 EEABRN O=C1C[C@H](c2noc(-c3ccc[nH]c3=O)n2)CN1c1cccc(F)c1 ZINC000044419909 204300656 /nfs/dbraw/zinc/30/06/56/204300656.db2.gz BSPKDVLGVCBSRS-JTQLQIEISA-N 0 0 340.314 2.085 40 0 EEABRN COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000051904903 205588758 /nfs/dbraw/zinc/58/87/58/205588758.db2.gz ONRZBSHCWAVEAQ-NSHDSACASA-N 0 0 344.333 2.025 40 0 EEABRN CCOC(=O)Cn1c(=O)c(C2OCCO2)cc2c(C)ccc(C)c21 ZINC000005059301 205748647 /nfs/dbraw/zinc/74/86/47/205748647.db2.gz LPJQJCKWSCTPNL-UHFFFAOYSA-N 0 0 331.368 2.227 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000155705469 206028705 /nfs/dbraw/zinc/02/87/05/206028705.db2.gz NYYFWROMEMPDCC-AWEZNQCLSA-N 0 0 346.456 2.492 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cscn3)C2)c1 ZINC000157718771 206152943 /nfs/dbraw/zinc/15/29/43/206152943.db2.gz SDYCXYRLQAEASB-LBPRGKRZSA-N 0 0 347.440 2.417 40 0 EEABRN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 ZINC000008473932 206531721 /nfs/dbraw/zinc/53/17/21/206531721.db2.gz OOUAKMCUQIVRBA-GFCCVEGCSA-N 0 0 330.413 2.455 40 0 EEABRN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1csc2ccccc12 ZINC000095436863 218379545 /nfs/dbraw/zinc/37/95/45/218379545.db2.gz PHAJGZXRHOUUNC-AWEZNQCLSA-N 0 0 331.441 2.364 40 0 EEABRN Cc1cc(C)c(C(=O)N2CCN(c3ccncc3Cl)CC2)c(=O)[nH]1 ZINC000095438251 218382212 /nfs/dbraw/zinc/38/22/12/218382212.db2.gz UEMHCACGLWVLBW-UHFFFAOYSA-N 0 0 346.818 2.003 40 0 EEABRN COC[C@@H](C)N1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)CC1=O ZINC000012383451 207132147 /nfs/dbraw/zinc/13/21/47/207132147.db2.gz SIJTZNZJTQHLBT-UXLLHSPISA-N 0 0 332.444 2.007 40 0 EEABRN O=C(c1ccccc1)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240893 218714104 /nfs/dbraw/zinc/71/41/04/218714104.db2.gz HRVCNQBOGVYDNU-QGZVFWFLSA-N 0 0 342.439 2.178 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)CCn3cc(C)cn3)C2)c1 ZINC000096409283 218762319 /nfs/dbraw/zinc/76/23/19/218762319.db2.gz MLXKDSJCJGBTCW-INIZCTEOSA-N 0 0 342.443 2.375 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415209 218774342 /nfs/dbraw/zinc/77/43/42/218774342.db2.gz NPOCXXAQKXTJAK-NXEZZACHSA-N 0 0 349.378 2.142 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000096425322 218794521 /nfs/dbraw/zinc/79/45/21/218794521.db2.gz SCIQULFAEOFNOS-ZDUSSCGKSA-N 0 0 348.424 2.157 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000096427626 218800127 /nfs/dbraw/zinc/80/01/27/218800127.db2.gz LLVQINXTJLDZDJ-UHFFFAOYSA-N 0 0 338.454 2.252 40 0 EEABRN Cc1cc(C)n2cc(CN3CCNC(=O)[C@@H]3c3ccccc3)nc2n1 ZINC000096483365 218859312 /nfs/dbraw/zinc/85/93/12/218859312.db2.gz SEGLFFRIAGWKJA-KRWDZBQOSA-N 0 0 335.411 2.019 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1cc(C2CCCCC2)n[nH]1 ZINC000097378223 219018985 /nfs/dbraw/zinc/01/89/85/219018985.db2.gz DFZPPROXSYRBSM-UHFFFAOYSA-N 0 0 345.403 2.276 40 0 EEABRN O[C@@H](CN1CCN(Cc2nc3ccccc3s2)CC1)C(F)(F)F ZINC000097378147 219019298 /nfs/dbraw/zinc/01/92/98/219019298.db2.gz KUSGOUWMXXYUDZ-ZDUSSCGKSA-N 0 0 345.390 2.337 40 0 EEABRN C[C@H](O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000097376618 219019442 /nfs/dbraw/zinc/01/94/42/219019442.db2.gz RJZZJWRHOKHNDX-JTQLQIEISA-N 0 0 328.206 2.200 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)cc1C ZINC000408552749 257897138 /nfs/dbraw/zinc/89/71/38/257897138.db2.gz NMKGFMOXUPFZRX-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN Cc1c(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc2n1C ZINC000036743659 132393095 /nfs/dbraw/zinc/39/30/95/132393095.db2.gz UPDHBOQJMMKLBR-UHFFFAOYSA-N 0 0 349.438 2.282 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CC[C@@H]2OC)cc1 ZINC000096206279 286315608 /nfs/dbraw/zinc/31/56/08/286315608.db2.gz BOYKAFHPKPMDED-YJBOKZPZSA-N 0 0 343.427 2.149 40 0 EEABRN COCCN(C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000289585200 275130063 /nfs/dbraw/zinc/13/00/63/275130063.db2.gz MRXFROAXMMBGPL-UHFFFAOYSA-N 0 0 339.189 2.421 40 0 EEABRN CC1=C[C@@]2(C)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2N=C1 ZINC000005662584 278505899 /nfs/dbraw/zinc/50/58/99/278505899.db2.gz BTFCAJFWZGIFNV-ZOMKSWQUSA-N 0 0 330.771 2.386 40 0 EEABRN CC[C@H]1CCCCN1S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000016636846 288198551 /nfs/dbraw/zinc/19/85/51/288198551.db2.gz WNRGKMGKOIASFS-NSHDSACASA-N 0 0 341.458 2.018 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000096181811 289815253 /nfs/dbraw/zinc/81/52/53/289815253.db2.gz VNJBPARTKKIGCK-IRXDYDNUSA-N 0 0 334.391 2.127 40 0 EEABRN Cc1cc(CNC(=O)NC2CCN(c3ccccc3)CC2)n(C)n1 ZINC000283816833 292990477 /nfs/dbraw/zinc/99/04/77/292990477.db2.gz CWOCJAOIVSPLHQ-UHFFFAOYSA-N 0 0 327.432 2.197 40 0 EEABRN Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000040714855 293957871 /nfs/dbraw/zinc/95/78/71/293957871.db2.gz JQISSKJASVNTGZ-WFASDCNBSA-N 0 0 329.356 2.272 40 0 EEABRN Cc1sc2ncc(C(=O)N3CCOc4ccccc43)c(=O)n2c1C ZINC000179777058 294084820 /nfs/dbraw/zinc/08/48/20/294084820.db2.gz DBIKWEWAWYTQAC-UHFFFAOYSA-N 0 0 341.392 2.412 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC000096421855 294291737 /nfs/dbraw/zinc/29/17/37/294291737.db2.gz MKSPVXPPOGUWPT-AWEZNQCLSA-N 0 0 326.759 2.242 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000298098179 294419965 /nfs/dbraw/zinc/41/99/65/294419965.db2.gz KFHFMKWYJUWKPX-UHFFFAOYSA-N 0 0 342.395 2.027 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cscn2)cc1 ZINC000257277063 295250111 /nfs/dbraw/zinc/25/01/11/295250111.db2.gz NWHODTASOCUCSR-MRXNPFEDSA-N 0 0 345.424 2.197 40 0 EEABRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCS(C)(=O)=O ZINC000239882081 297884547 /nfs/dbraw/zinc/88/45/47/297884547.db2.gz DAEKHOOXDNLTCT-AWEZNQCLSA-N 0 0 349.374 2.284 40 0 EEABRN CC(=O)N1CC(NC(=O)c2cccc(Br)c2Cl)C1 ZINC000097235845 323321154 /nfs/dbraw/zinc/32/11/54/323321154.db2.gz AHFRLPVUIBRTEP-UHFFFAOYSA-N 0 0 331.597 2.063 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1-n1cnnn1 ZINC000097237603 323321411 /nfs/dbraw/zinc/32/14/11/323321411.db2.gz FAZBTYIHNCMSOZ-ZDUSSCGKSA-N 0 0 339.355 2.241 40 0 EEABRN Cn1ccnc1[C@H](NC(=O)c1ncccc1O)c1cccc(F)c1 ZINC000097377869 323322514 /nfs/dbraw/zinc/32/25/14/323322514.db2.gz RZCRDMOPHORUGH-CQSZACIVSA-N 0 0 326.331 2.179 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(N(C)C(=O)Cc2cccs2)cc1 ZINC000193038886 465024183 /nfs/dbraw/zinc/02/41/83/465024183.db2.gz HIUKECVUWYMURR-UHFFFAOYSA-N 0 0 338.454 2.204 40 0 EEABRN CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4CC)C(=O)[C@@H]13)O2 ZINC000000533914 462569493 /nfs/dbraw/zinc/56/94/93/462569493.db2.gz ARAZAYXAIZVEQW-GGXPGOJBSA-N 0 0 327.380 2.099 40 0 EEABRN Cc1cccc(NC(=O)CSc2nnnn2-c2cccnc2)c1 ZINC000001352331 462579790 /nfs/dbraw/zinc/57/97/90/462579790.db2.gz QXJUXMLOPIAZSQ-UHFFFAOYSA-N 0 0 326.385 2.097 40 0 EEABRN COc1cccc(OCCNC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000045450604 462589390 /nfs/dbraw/zinc/58/93/90/462589390.db2.gz LXLUNYYFJOJDFF-QGZVFWFLSA-N 0 0 329.352 2.030 40 0 EEABRN CCN1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000061637952 462594637 /nfs/dbraw/zinc/59/46/37/462594637.db2.gz XFIDMUXINICVOV-UHFFFAOYSA-N 0 0 326.444 2.326 40 0 EEABRN CCn1cc(CN(C)C(=O)c2nn(CC)cc2Br)cn1 ZINC000002778444 462601382 /nfs/dbraw/zinc/60/13/82/462601382.db2.gz XMQVHMVUSRZXGG-UHFFFAOYSA-N 0 0 340.225 2.154 40 0 EEABRN Cc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1C ZINC000113961511 462618822 /nfs/dbraw/zinc/61/88/22/462618822.db2.gz XNRBIAUSMPNFHE-UHFFFAOYSA-N 0 0 326.462 2.374 40 0 EEABRN COC(=O)[C@H]1[C@@H](C(=O)OC)ON(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000003849519 462624985 /nfs/dbraw/zinc/62/49/85/462624985.db2.gz UCQXBVHHWBPBGT-OAGGEKHMSA-N 0 0 345.351 2.099 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000088388899 462626019 /nfs/dbraw/zinc/62/60/19/462626019.db2.gz NWDUJIDUWOCQSZ-RZFZLAGVSA-N 0 0 347.444 2.235 40 0 EEABRN Cc1cc(C)cc(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])c1 ZINC000004139452 462629107 /nfs/dbraw/zinc/62/91/07/462629107.db2.gz GSBGSIOYTBTXPI-INIZCTEOSA-N 0 0 327.384 2.270 40 0 EEABRN O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1 ZINC000004400159 462631897 /nfs/dbraw/zinc/63/18/97/462631897.db2.gz DBAIIBWKKGUUBX-UHFFFAOYSA-N 0 0 327.384 2.384 40 0 EEABRN CCCNC(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 ZINC000004856534 462639295 /nfs/dbraw/zinc/63/92/95/462639295.db2.gz OCVUUJSOZGVEEV-UHFFFAOYSA-N 0 0 333.392 2.274 40 0 EEABRN Cc1csc(NC(=O)CSc2nnc3nc(C)cc(C)n32)n1 ZINC000004892028 462640145 /nfs/dbraw/zinc/64/01/45/462640145.db2.gz JDUJXVZMZWAWEC-UHFFFAOYSA-N 0 0 334.430 2.237 40 0 EEABRN Cc1ccccc1C(=O)NC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000004910173 462640759 /nfs/dbraw/zinc/64/07/59/462640759.db2.gz CEFAVDVPKHTMOD-UHFFFAOYSA-N 0 0 331.460 2.104 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986721 462642663 /nfs/dbraw/zinc/64/26/63/462642663.db2.gz CIXYCDALVNFDIC-ZFWWWQNUSA-N 0 0 345.424 2.032 40 0 EEABRN COc1cc(Nc2nc(N)nc3c2nc(C)n3C)cc(OC)c1OC ZINC000046087331 462645724 /nfs/dbraw/zinc/64/57/24/462645724.db2.gz XGLPGNFHAFUYQD-UHFFFAOYSA-N 0 0 344.375 2.023 40 0 EEABRN C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000005278845 462654096 /nfs/dbraw/zinc/65/40/96/462654096.db2.gz DWPQTVCOPMWOHI-SQWLQELKSA-N 0 0 348.443 2.331 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000006176022 462678634 /nfs/dbraw/zinc/67/86/34/462678634.db2.gz MWGPOBVJXYQXOS-CQSZACIVSA-N 0 0 336.457 2.360 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000006175514 462678870 /nfs/dbraw/zinc/67/88/70/462678870.db2.gz ORMVERZYQCDPQZ-UONOGXRCSA-N 0 0 332.425 2.231 40 0 EEABRN O=c1/c(=C\c2ccccc2Cl)sc2nc(-c3ccncc3)nn12 ZINC000006528555 462687743 /nfs/dbraw/zinc/68/77/43/462687743.db2.gz RJVISTNAVJNMFO-UKTHLTGXSA-N 0 0 340.795 2.414 40 0 EEABRN CCCOc1c(I)cc(C(N)=O)cc1OC ZINC000006593381 462692535 /nfs/dbraw/zinc/69/25/35/462692535.db2.gz XSQWHDNKKNCABB-UHFFFAOYSA-N 0 0 335.141 2.188 40 0 EEABRN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006635556 462693075 /nfs/dbraw/zinc/69/30/75/462693075.db2.gz PHMALOGPQVCWBC-ZDUSSCGKSA-N 0 0 342.436 2.143 40 0 EEABRN CCOc1cc(CNn2cnnc2)cc(Br)c1OC ZINC000007541687 462740029 /nfs/dbraw/zinc/74/00/29/462740029.db2.gz FGZNMMGNCCEHIN-UHFFFAOYSA-N 0 0 327.182 2.192 40 0 EEABRN CN1CCN(C(=O)CSCc2ccccc2Br)CC1 ZINC000008091765 462766111 /nfs/dbraw/zinc/76/61/11/462766111.db2.gz PBGMINLSXAQCPA-UHFFFAOYSA-N 0 0 343.290 2.456 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC ZINC000008221994 462773752 /nfs/dbraw/zinc/77/37/52/462773752.db2.gz JTKGZGIWUPQWPP-HIFRSBDPSA-N 0 0 348.443 2.057 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC ZINC000008475987 462784357 /nfs/dbraw/zinc/78/43/57/462784357.db2.gz VLBBACQXRFLDKN-GFCCVEGCSA-N 0 0 348.424 2.094 40 0 EEABRN CCc1nnc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1 ZINC000047440775 462784879 /nfs/dbraw/zinc/78/48/79/462784879.db2.gz OQGATGIJJFDTNG-UHFFFAOYSA-N 0 0 345.359 2.038 40 0 EEABRN Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(N)=O)c1 ZINC000008571291 462789691 /nfs/dbraw/zinc/78/96/91/462789691.db2.gz MYUJZFOQHRYPHY-DHDCSXOGSA-N 0 0 335.363 2.405 40 0 EEABRN CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCC)ccc1OC ZINC000009063912 462799292 /nfs/dbraw/zinc/79/92/92/462799292.db2.gz VCSDIVVASOGWTQ-GFCCVEGCSA-N 0 0 342.461 2.302 40 0 EEABRN CCCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010329021 462817650 /nfs/dbraw/zinc/81/76/50/462817650.db2.gz OTQLINKDPZAVBG-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN CO[C@H](C(=O)N[C@H](C)c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000012114749 462843475 /nfs/dbraw/zinc/84/34/75/462843475.db2.gz MJNHEYYQWGVSPK-DOMZBBRYSA-N 0 0 337.383 2.432 40 0 EEABRN C[C@@H]1CCc2noc(C3CCN(C(=O)CCn4cncn4)CC3)c2C1 ZINC000012119877 462844250 /nfs/dbraw/zinc/84/42/50/462844250.db2.gz NJEFIYIMEBNFHH-CYBMUJFWSA-N 0 0 343.431 2.187 40 0 EEABRN O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1ccccc1F ZINC000012113226 462844262 /nfs/dbraw/zinc/84/42/62/462844262.db2.gz IRFAQXHGLKWBTM-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCCc1ccccn1 ZINC000012148613 462845024 /nfs/dbraw/zinc/84/50/24/462845024.db2.gz PRBAQHPYRWPEPA-UHFFFAOYSA-N 0 0 345.786 2.392 40 0 EEABRN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccco1)C2 ZINC000012184697 462847165 /nfs/dbraw/zinc/84/71/65/462847165.db2.gz RUQOPIHXQFPVSR-CYBMUJFWSA-N 0 0 328.416 2.300 40 0 EEABRN COc1cccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)c1 ZINC000013547903 462895204 /nfs/dbraw/zinc/89/52/04/462895204.db2.gz MDEFKXVXUIGZCG-WJDWOHSUSA-N 0 0 349.415 2.298 40 0 EEABRN COc1ccc(OCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000015615307 462957655 /nfs/dbraw/zinc/95/76/55/462957655.db2.gz ORGXZPXGUQUWCC-UHFFFAOYSA-N 0 0 345.395 2.450 40 0 EEABRN COc1cc(-c2nc3c4cnnc-4ncn3[nH]2)ccc1OC(F)F ZINC000017068194 462993981 /nfs/dbraw/zinc/99/39/81/462993981.db2.gz HQKNGMWAGSWYDO-UHFFFAOYSA-N 0 0 332.270 2.278 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019687778 463018865 /nfs/dbraw/zinc/01/88/65/463018865.db2.gz BKOVNDMAIQVGNQ-SFHVURJKSA-N 0 0 347.378 2.147 40 0 EEABRN Cc1ccc(-n2ccc3nc(N4CCOCC4)ncc3c2=O)c(C)c1 ZINC000019958788 463023081 /nfs/dbraw/zinc/02/30/81/463023081.db2.gz JTZLTSAHSMDSKL-UHFFFAOYSA-N 0 0 336.395 2.234 40 0 EEABRN CN(Cc1cnccn1)C(=O)COc1ccccc1Br ZINC000095449152 463086973 /nfs/dbraw/zinc/08/69/73/463086973.db2.gz BHVBDYDZTFZDAN-UHFFFAOYSA-N 0 0 336.189 2.277 40 0 EEABRN CC(C)N1CCN(C(=O)c2ccn(-c3ccc4ccccn43)n2)CC1 ZINC000096038052 463142287 /nfs/dbraw/zinc/14/22/87/463142287.db2.gz RPKSWMCXSNWODZ-UHFFFAOYSA-N 0 0 337.427 2.291 40 0 EEABRN CC(C)[C@@H](NC(=O)c1nn(CCC[C@@H](C)F)c2ccccc12)C(N)=O ZINC000096032849 463143079 /nfs/dbraw/zinc/14/30/79/463143079.db2.gz KSBISSAWUAIQIT-IUODEOHRSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CCn1nnc2c1[C@@H](COCC1CC1)CN(Cc1cccnc1)C2 ZINC000096045556 463148796 /nfs/dbraw/zinc/14/87/96/463148796.db2.gz HPLZCXJRMRSJIU-MRXNPFEDSA-N 0 0 327.432 2.219 40 0 EEABRN CCOC[C@H]1CN(Cc2cc(C)on2)Cc2nnn(CC3CC3)c21 ZINC000096045627 463150119 /nfs/dbraw/zinc/15/01/19/463150119.db2.gz PQKFRPXONZAQHH-CQSZACIVSA-N 0 0 331.420 2.120 40 0 EEABRN Fc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)cc1 ZINC000096052070 463155377 /nfs/dbraw/zinc/15/53/77/463155377.db2.gz ROCBYHMSAWGWIE-IEBWSBKVSA-N 0 0 345.418 2.330 40 0 EEABRN COC(=O)N1CCC[C@@H](Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000078880484 463158977 /nfs/dbraw/zinc/15/89/77/463158977.db2.gz DPRMTODFHSXBDQ-SNVBAGLBSA-N 0 0 348.371 2.326 40 0 EEABRN C[C@@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062090 463161682 /nfs/dbraw/zinc/16/16/82/463161682.db2.gz AUBWJUACGFKXSO-CYBMUJFWSA-N 0 0 326.379 2.239 40 0 EEABRN COC[C@@H]1c2nnn(C)c2CCN1CCOc1ccc(Cl)cc1 ZINC000096068706 463166103 /nfs/dbraw/zinc/16/61/03/463166103.db2.gz FXDPKBJALASUHN-OAHLLOKOSA-N 0 0 336.823 2.093 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000078928961 463167960 /nfs/dbraw/zinc/16/79/60/463167960.db2.gz ATUNROVAYXDPLG-HIFRSBDPSA-N 0 0 326.444 2.353 40 0 EEABRN CS(=O)(=O)[C@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 ZINC000096098087 463171681 /nfs/dbraw/zinc/17/16/81/463171681.db2.gz WDHCNCGHGCZKIU-LBPRGKRZSA-N 0 0 327.471 2.205 40 0 EEABRN CCN1CCN(C(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)CC1 ZINC000096101214 463173343 /nfs/dbraw/zinc/17/33/43/463173343.db2.gz ZXLUIJXDNNVCPB-UHFFFAOYSA-N 0 0 345.491 2.368 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CO[C@H](COCC3CC3)C2)CC1 ZINC000096106034 463174348 /nfs/dbraw/zinc/17/43/48/463174348.db2.gz WTJQRMWFCZWCIZ-KRWDZBQOSA-N 0 0 337.460 2.237 40 0 EEABRN COC(=O)NCC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000078979358 463174412 /nfs/dbraw/zinc/17/44/12/463174412.db2.gz BSBSRFGHMOLXHQ-UHFFFAOYSA-N 0 0 348.321 2.465 40 0 EEABRN CCOC[C@]12COC[C@H]1CN(C(=O)c1ccc3ncccc3c1)C2 ZINC000096108669 463177014 /nfs/dbraw/zinc/17/70/14/463177014.db2.gz XIPWRCFKHMEKFY-VQIMIIECSA-N 0 0 326.396 2.360 40 0 EEABRN CC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038585 463181786 /nfs/dbraw/zinc/18/17/86/463181786.db2.gz IQPFOKVYXLBAFD-BXKDBHETSA-N 0 0 348.262 2.450 40 0 EEABRN Cc1nc(NC(=O)[C@@H](C)Nc2cccc(NC(=O)CO)c2)sc1C ZINC000079030824 463181802 /nfs/dbraw/zinc/18/18/02/463181802.db2.gz ZYMMODGBZAFCEI-SNVBAGLBSA-N 0 0 348.428 2.130 40 0 EEABRN COC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000096133969 463183281 /nfs/dbraw/zinc/18/32/81/463183281.db2.gz RXTJYTNJERGYJB-NVNXTCNLSA-N 0 0 330.365 2.431 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)c3ccc4n[nH]nc4c3)c2c1 ZINC000079051194 463183414 /nfs/dbraw/zinc/18/34/14/463183414.db2.gz BBEHRLWDXFHOGS-UHFFFAOYSA-N 0 0 335.367 2.420 40 0 EEABRN Cc1ccc(CNC(=O)CCNC(=O)OCC(F)(F)F)cc1F ZINC000079075686 463186744 /nfs/dbraw/zinc/18/67/44/463186744.db2.gz HTFQMYUITJAMPU-UHFFFAOYSA-N 0 0 336.285 2.429 40 0 EEABRN CCS(=O)(=O)N1CCC(Nc2nc(C(C)(C)C)ns2)CC1 ZINC000157941741 463187201 /nfs/dbraw/zinc/18/72/01/463187201.db2.gz KXRLLJHKTKMGML-UHFFFAOYSA-N 0 0 332.495 2.062 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C)n3)OCC(=O)N2C)cc1 ZINC000096181487 463194194 /nfs/dbraw/zinc/19/41/94/463194194.db2.gz WKSCKMIPBMNDCN-MSOLQXFVSA-N 0 0 339.395 2.235 40 0 EEABRN Cc1noc(CCC(=O)NCc2ccc(OC3CCCC3)nc2)n1 ZINC000079256697 463200006 /nfs/dbraw/zinc/20/00/06/463200006.db2.gz QHXYWYYUTRTDIU-UHFFFAOYSA-N 0 0 330.388 2.343 40 0 EEABRN CCOC[C@@H]1c2c(cnn2C)CCN1C(=O)COc1ccccc1C ZINC000096197759 463202602 /nfs/dbraw/zinc/20/26/02/463202602.db2.gz PKDMAKUNKNCKNA-MRXNPFEDSA-N 0 0 343.427 2.270 40 0 EEABRN Fc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096202306 463207231 /nfs/dbraw/zinc/20/72/31/463207231.db2.gz QZIKKFAMHJHZCV-LJQANCHMSA-N 0 0 342.418 2.345 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096207270 463209996 /nfs/dbraw/zinc/20/99/96/463209996.db2.gz QDMDDGCGVBQWRP-RDTXWAMCSA-N 0 0 342.399 2.254 40 0 EEABRN COC[C@H]1Cn2cncc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096209255 463212349 /nfs/dbraw/zinc/21/23/49/463212349.db2.gz PVFUHBJSXQZCFU-MRXNPFEDSA-N 0 0 339.439 2.293 40 0 EEABRN Cn1cc(CN2CCOC[C@H]2c2csc(N3CCCC3)n2)cn1 ZINC000096217898 463215594 /nfs/dbraw/zinc/21/55/94/463215594.db2.gz USLMSLRVKWBRBW-HNNXBMFYSA-N 0 0 333.461 2.050 40 0 EEABRN c1csc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)n1 ZINC000096218831 463216173 /nfs/dbraw/zinc/21/61/73/463216173.db2.gz NHZFQPCQPRVQMZ-ZDUSSCGKSA-N 0 0 331.445 2.329 40 0 EEABRN O=C(c1ccco1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228224 463222100 /nfs/dbraw/zinc/22/21/00/463222100.db2.gz NFWHDEHANLWBRY-UHFFFAOYSA-N 0 0 339.395 2.472 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 ZINC000096239113 463224615 /nfs/dbraw/zinc/22/46/15/463224615.db2.gz XIIFLAZMOKSPCM-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)COCCN(c1nccs1)C2 ZINC000096240027 463224773 /nfs/dbraw/zinc/22/47/73/463224773.db2.gz GILUIJVMEDHAKV-UHFFFAOYSA-N 0 0 347.440 2.495 40 0 EEABRN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)C2CC2)C1 ZINC000096244540 463225106 /nfs/dbraw/zinc/22/51/06/463225106.db2.gz RREMUXFPCPQLGK-LJQANCHMSA-N 0 0 342.443 2.017 40 0 EEABRN Cc1cccc(C(=O)N2CCc3ncnc(OC(C)C)c3CC2)n1 ZINC000096255648 463228281 /nfs/dbraw/zinc/22/82/81/463228281.db2.gz FUKFXDPUYZUMFV-UHFFFAOYSA-N 0 0 326.400 2.208 40 0 EEABRN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000096404894 463239072 /nfs/dbraw/zinc/23/90/72/463239072.db2.gz MJSYHBQDOSGQOS-KKXDTOCCSA-N 0 0 343.448 2.494 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407539 463240204 /nfs/dbraw/zinc/24/02/04/463240204.db2.gz JFOSKHIGWYQJQM-KWBADKCTSA-N 0 0 340.395 2.058 40 0 EEABRN Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)CCN2CCOCC2)c1 ZINC000096408470 463241161 /nfs/dbraw/zinc/24/11/61/463241161.db2.gz VXLAWHQTZJKQLY-KRWDZBQOSA-N 0 0 345.487 2.436 40 0 EEABRN O=C(CCc1cccnc1)NC[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000096409671 463242196 /nfs/dbraw/zinc/24/21/96/463242196.db2.gz AAEHNVZQDYXCEH-OAHLLOKOSA-N 0 0 336.338 2.465 40 0 EEABRN C[C@@H](Sc1cccs1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000096409143 463242507 /nfs/dbraw/zinc/24/25/07/463242507.db2.gz HPJKRDYYEQFDHR-GFCCVEGCSA-N 0 0 334.470 2.368 40 0 EEABRN CCN(C)c1cccc(NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 ZINC000096410631 463243477 /nfs/dbraw/zinc/24/34/77/463243477.db2.gz OAJQJWMPCROYLB-KRWDZBQOSA-N 0 0 344.463 2.301 40 0 EEABRN C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000096413475 463245918 /nfs/dbraw/zinc/24/59/18/463245918.db2.gz ZEHLHKHTVPHNRQ-RYUDHWBXSA-N 0 0 328.368 2.236 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1(C)C ZINC000096416144 463247828 /nfs/dbraw/zinc/24/78/28/463247828.db2.gz QODXACQFSJUUEY-OLZOCXBDSA-N 0 0 326.343 2.223 40 0 EEABRN CC[C@H](C)c1cc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)on1 ZINC000096422370 463253519 /nfs/dbraw/zinc/25/35/19/463253519.db2.gz ZVTSBACENRHRRD-GXSJLCMTSA-N 0 0 347.337 2.423 40 0 EEABRN O=C(CCN1C(=O)CCC1=O)N(Cc1ccoc1)C1CCCCC1 ZINC000096423070 463254075 /nfs/dbraw/zinc/25/40/75/463254075.db2.gz VOTGYIIDLZTUSK-UHFFFAOYSA-N 0 0 332.400 2.480 40 0 EEABRN COc1nc(C)ccc1CNC(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000096426380 463255885 /nfs/dbraw/zinc/25/58/85/463255885.db2.gz HNYOVPGKGADBFY-UHFFFAOYSA-N 0 0 341.346 2.048 40 0 EEABRN CC(C)n1cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cn1 ZINC000096427715 463256703 /nfs/dbraw/zinc/25/67/03/463256703.db2.gz GDEJMQQIQNFWQN-UHFFFAOYSA-N 0 0 345.428 2.128 40 0 EEABRN C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096427121 463256879 /nfs/dbraw/zinc/25/68/79/463256879.db2.gz JKFPYEUVWFUDNA-SWLSCSKDSA-N 0 0 340.379 2.318 40 0 EEABRN O=c1[nH]ccnc1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000096429508 463259490 /nfs/dbraw/zinc/25/94/90/463259490.db2.gz HTYUDLMGEFBQCF-JTQLQIEISA-N 0 0 340.305 2.359 40 0 EEABRN CC(C)(C)c1ncc(/C=C/C(=O)NCCc2nnc3n2CCC3)s1 ZINC000096430637 463259976 /nfs/dbraw/zinc/25/99/76/463259976.db2.gz HHGFKFNNMNFDTM-VOTSOKGWSA-N 0 0 345.472 2.350 40 0 EEABRN Cn1cccc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000096431752 463261499 /nfs/dbraw/zinc/26/14/99/463261499.db2.gz NDMFPQPFZQIYJD-UHFFFAOYSA-N 0 0 325.368 2.180 40 0 EEABRN CCc1cc(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)n(C)n1 ZINC000096434937 463262297 /nfs/dbraw/zinc/26/22/97/463262297.db2.gz PVTGCSIGDHPWRX-HNNXBMFYSA-N 0 0 341.415 2.218 40 0 EEABRN C[S@@](=O)C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1ccccc1 ZINC000096445394 463269492 /nfs/dbraw/zinc/26/94/92/463269492.db2.gz QEFCSNYMFSORPO-SYJLOODJSA-N 0 0 329.421 2.399 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1cccc(F)c1 ZINC000096519766 463293691 /nfs/dbraw/zinc/29/36/91/463293691.db2.gz KDJCOCLGGQKBOY-IUCAKERBSA-N 0 0 331.590 2.191 40 0 EEABRN CNS(=O)(=O)c1csc(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000096451338 463273273 /nfs/dbraw/zinc/27/32/73/463273273.db2.gz OABNGJHKKHUTGY-UHFFFAOYSA-N 0 0 342.486 2.453 40 0 EEABRN CNC(=O)Cc1noc(CSc2nc(-c3ccccc3)c[nH]2)n1 ZINC000096455708 463275307 /nfs/dbraw/zinc/27/53/07/463275307.db2.gz XFBGGOGJKFSRDY-UHFFFAOYSA-N 0 0 329.385 2.041 40 0 EEABRN Cc1cc(NC(=O)Cn2ncc3ccccc32)n(-c2ccc(C)nn2)n1 ZINC000096456868 463276809 /nfs/dbraw/zinc/27/68/09/463276809.db2.gz PQRFOXXGSXXUBR-UHFFFAOYSA-N 0 0 347.382 2.268 40 0 EEABRN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000096473772 463278755 /nfs/dbraw/zinc/27/87/55/463278755.db2.gz MMBALNXROBWSEG-QWRGUYRKSA-N 0 0 334.811 2.127 40 0 EEABRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC000096473371 463279100 /nfs/dbraw/zinc/27/91/00/463279100.db2.gz BUENGWNLACJYPA-UHFFFAOYSA-N 0 0 336.395 2.118 40 0 EEABRN C/C=C/CS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000096475925 463279766 /nfs/dbraw/zinc/27/97/66/463279766.db2.gz GMGCOQATEXVGAE-UFFNRZRYSA-N 0 0 331.384 2.003 40 0 EEABRN C[C@@H](NC(=O)c1ccc(NC=O)cc1)c1cn(-c2ccccc2)nn1 ZINC000096474024 463280315 /nfs/dbraw/zinc/28/03/15/463280315.db2.gz HPNSXPWCVVMCGA-CYBMUJFWSA-N 0 0 335.367 2.327 40 0 EEABRN C[C@@H](NS(=O)(=O)C[C@@H](C)c1ccccc1)c1nnc2n1CCC2 ZINC000096482429 463281584 /nfs/dbraw/zinc/28/15/84/463281584.db2.gz KTQKPWAMGLXAIY-CHWSQXEVSA-N 0 0 334.445 2.008 40 0 EEABRN O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1O ZINC000096483443 463282888 /nfs/dbraw/zinc/28/28/88/463282888.db2.gz RONFSHSEBLJEMU-OLZOCXBDSA-N 0 0 348.262 2.172 40 0 EEABRN CC[C@@H](C)OCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096485691 463284061 /nfs/dbraw/zinc/28/40/61/463284061.db2.gz GLGCUQFZHUJLRF-CQSZACIVSA-N 0 0 330.432 2.022 40 0 EEABRN Cc1cc(NC(=O)NCc2noc(C)n2)nn1-c1cccc(F)c1 ZINC000096494173 463287888 /nfs/dbraw/zinc/28/78/88/463287888.db2.gz NWSVXCLBJTWEHY-UHFFFAOYSA-N 0 0 330.323 2.333 40 0 EEABRN CCc1nn(C)cc1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000096494061 463288275 /nfs/dbraw/zinc/28/82/75/463288275.db2.gz JFROCIAHZSAXIF-QGZVFWFLSA-N 0 0 342.443 2.136 40 0 EEABRN C[C@@H](CNC(=O)NCCn1c(=O)oc2ccccc21)c1nccs1 ZINC000096502675 463293161 /nfs/dbraw/zinc/29/31/61/463293161.db2.gz JURJJBNOUOOLAF-NSHDSACASA-N 0 0 346.412 2.154 40 0 EEABRN O=C(OCc1ncn(-c2ccccc2)n1)c1ccnc(-n2ccnc2)c1 ZINC000097098247 463322995 /nfs/dbraw/zinc/32/29/95/463322995.db2.gz YYMXWDNGJLWBMC-UHFFFAOYSA-N 0 0 346.350 2.205 40 0 EEABRN CC(=O)NC[C@@H](C)OC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000097231560 463350960 /nfs/dbraw/zinc/35/09/60/463350960.db2.gz SXYQAZPBMRXRPH-CQSZACIVSA-N 0 0 329.400 2.479 40 0 EEABRN Cc1nnc(CCCN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)o1 ZINC000097233314 463351193 /nfs/dbraw/zinc/35/11/93/463351193.db2.gz RLNLUWBWWFMKET-MRXNPFEDSA-N 0 0 348.790 2.431 40 0 EEABRN CC(C)(C(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000097377998 463357144 /nfs/dbraw/zinc/35/71/44/463357144.db2.gz DIRCRYPMJJADGK-CQSZACIVSA-N 0 0 344.377 2.032 40 0 EEABRN COc1cc(-c2cc(=O)c3c(o2)CC(=O)C[C@@H]3O)cc(OC)c1O ZINC000100057271 463371914 /nfs/dbraw/zinc/37/19/14/463371914.db2.gz OAMKEXJNFAAOBD-JTQLQIEISA-N 0 0 332.308 2.366 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1C[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000100752913 463374660 /nfs/dbraw/zinc/37/46/60/463374660.db2.gz VIDITUKVPAMHLY-VTEUUUEMSA-N 0 0 348.406 2.400 40 0 EEABRN CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 ZINC000032639787 463385193 /nfs/dbraw/zinc/38/51/93/463385193.db2.gz CXVNGACCSAISMB-RYUDHWBXSA-N 0 0 330.862 2.435 40 0 EEABRN CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)cn1 ZINC000036612445 463437583 /nfs/dbraw/zinc/43/75/83/463437583.db2.gz BUSNBKKSQDZETA-UHFFFAOYSA-N 0 0 332.429 2.214 40 0 EEABRN COC[C@H](C)NC(=O)COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000039561865 463451323 /nfs/dbraw/zinc/45/13/23/463451323.db2.gz MJBFZIIVGCOOOY-QWRGUYRKSA-N 0 0 349.456 2.346 40 0 EEABRN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000040287936 463454103 /nfs/dbraw/zinc/45/41/03/463454103.db2.gz DUSJGSWOBUKCEW-PVAVHDDUSA-N 0 0 335.407 2.239 40 0 EEABRN O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)ccc1Cl ZINC000040386560 463454259 /nfs/dbraw/zinc/45/42/59/463454259.db2.gz HMIZLKKPTWPIFF-SSDOTTSWSA-N 0 0 340.170 2.182 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3nccs3)CC2)c1C ZINC000040484984 463456874 /nfs/dbraw/zinc/45/68/74/463456874.db2.gz SMEXDKRRPIFTKI-UHFFFAOYSA-N 0 0 346.456 2.296 40 0 EEABRN COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000072227912 463484078 /nfs/dbraw/zinc/48/40/78/463484078.db2.gz XEFOBVBEPYTFBK-HZPDHXFCSA-N 0 0 346.770 2.493 40 0 EEABRN C[NH2+]CC(=O)N1CCCC[C@H]1c1ccnc([N-]c2ncc(C)s2)n1 ZINC000072383020 463510090 /nfs/dbraw/zinc/51/00/90/463510090.db2.gz NZMGVMSPHOATLC-ZDUSSCGKSA-N 0 0 346.460 2.258 40 0 EEABRN CC(=O)N1CCc2sc(C(=O)COc3nc(C(C)C)no3)cc2C1 ZINC000163276026 463578267 /nfs/dbraw/zinc/57/82/67/463578267.db2.gz HCJHKYYIHRIKNA-UHFFFAOYSA-N 0 0 349.412 2.421 40 0 EEABRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000058668692 463616580 /nfs/dbraw/zinc/61/65/80/463616580.db2.gz CZGQVCUIRZJZBH-GXTWGEPZSA-N 0 0 346.456 2.226 40 0 EEABRN O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000058687252 463617717 /nfs/dbraw/zinc/61/77/17/463617717.db2.gz FMUWRONVARCYAQ-SNVBAGLBSA-N 0 0 331.759 2.432 40 0 EEABRN O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(-n2cnnn2)ccc1Cl ZINC000170609895 463683107 /nfs/dbraw/zinc/68/31/07/463683107.db2.gz XZUNGFGSWHLSPB-TUAOUCFPSA-N 0 0 329.791 2.258 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2cccc(C)c2)CC1 ZINC000044903408 463700289 /nfs/dbraw/zinc/70/02/89/463700289.db2.gz XKZUBOHROHDBDH-INIZCTEOSA-N 0 0 334.416 2.453 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2cccnc2OC)nc(C)n1 ZINC000257228536 463756663 /nfs/dbraw/zinc/75/66/63/463756663.db2.gz FUFKKAXPHVKPNH-AWEZNQCLSA-N 0 0 327.388 2.208 40 0 EEABRN CNC(=O)CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257286209 463763674 /nfs/dbraw/zinc/76/36/74/463763674.db2.gz PKSPHPQUZZKPQK-OAHLLOKOSA-N 0 0 325.416 2.146 40 0 EEABRN CN(C)C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000257295124 463766418 /nfs/dbraw/zinc/76/64/18/463766418.db2.gz QXBKALZSYNGGCN-MRXNPFEDSA-N 0 0 347.459 2.369 40 0 EEABRN O=C(CCn1ncc2ccccc21)N1CCO[C@H](c2ccncc2)C1 ZINC000257306017 463770861 /nfs/dbraw/zinc/77/08/61/463770861.db2.gz SSNCFSQAUKEIFY-SFHVURJKSA-N 0 0 336.395 2.422 40 0 EEABRN CCc1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)no1 ZINC000257314651 463775515 /nfs/dbraw/zinc/77/55/15/463775515.db2.gz UXXHRDVTESVSOV-SJLPKXTDSA-N 0 0 330.384 2.282 40 0 EEABRN Cc1cc2nc([C@@H]3CCCCN3CC(=O)N3CCCC3)ccn2n1 ZINC000257323885 463778407 /nfs/dbraw/zinc/77/84/07/463778407.db2.gz WMGGCSYYLJTKMC-INIZCTEOSA-N 0 0 327.432 2.187 40 0 EEABRN Cc1cc(Nc2ccnc(C[C@@H]3CCCN(C(=O)C4CC4)C3)n2)n[nH]1 ZINC000257327866 463780129 /nfs/dbraw/zinc/78/01/29/463780129.db2.gz XDBYLPVSNLZYJB-ZDUSSCGKSA-N 0 0 340.431 2.443 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)n1 ZINC000257339619 463786122 /nfs/dbraw/zinc/78/61/22/463786122.db2.gz ZCMYEZJQPIGNKH-ZIAGYGMSSA-N 0 0 348.447 2.128 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(CCCOc3ccccc3F)CCO2)n1 ZINC000257343556 463787499 /nfs/dbraw/zinc/78/74/99/463787499.db2.gz ZTMBQCMDZOZAPV-INIZCTEOSA-N 0 0 347.390 2.472 40 0 EEABRN C[C@H](C(=O)N1CCC(C)CC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178279122 463873709 /nfs/dbraw/zinc/87/37/09/463873709.db2.gz GJHCZVKSZWNANG-KGLIPLIRSA-N 0 0 335.414 2.202 40 0 EEABRN Cc1cc(S(=O)(=O)CC(=O)NCc2ccco2)nc2ccccc12 ZINC000195068129 463985903 /nfs/dbraw/zinc/98/59/03/463985903.db2.gz VSLBXLQCVYRTDD-UHFFFAOYSA-N 0 0 344.392 2.226 40 0 EEABRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000195563113 464077791 /nfs/dbraw/zinc/07/77/91/464077791.db2.gz YVDAFHKUYLQJIN-ZWKOTPCHSA-N 0 0 341.455 2.491 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000195571465 464078660 /nfs/dbraw/zinc/07/86/60/464078660.db2.gz WHDHXNDJLSDKHZ-OAHLLOKOSA-N 0 0 329.444 2.371 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccncc1 ZINC000222900430 464134838 /nfs/dbraw/zinc/13/48/38/464134838.db2.gz YNRDAKHAXBTDBU-ZDUSSCGKSA-N 0 0 329.375 2.274 40 0 EEABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1 ZINC000223565352 464143689 /nfs/dbraw/zinc/14/36/89/464143689.db2.gz ZDWVBTMVGBWFMT-JKSUJKDBSA-N 0 0 330.457 2.429 40 0 EEABRN Cc1cccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c1 ZINC000224164456 464147814 /nfs/dbraw/zinc/14/78/14/464147814.db2.gz CDVOSWZIEWQKEN-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1 ZINC000224211968 464150135 /nfs/dbraw/zinc/15/01/35/464150135.db2.gz GEESJKBTJGJIJF-UHFFFAOYSA-N 0 0 346.456 2.254 40 0 EEABRN COc1ccc(O[C@H]2CCN(C(=O)NC3CCCCCC3)C2)nn1 ZINC000225441020 464159235 /nfs/dbraw/zinc/15/92/35/464159235.db2.gz YMPTVMXDIYEIPB-AWEZNQCLSA-N 0 0 334.420 2.371 40 0 EEABRN CCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)cc1 ZINC000225553179 464170517 /nfs/dbraw/zinc/17/05/17/464170517.db2.gz NLCBHYWIHHKZAG-MRXNPFEDSA-N 0 0 342.399 2.275 40 0 EEABRN CCO[C@@H]1C[C@](O)(CNc2ccc3nnc(C(F)F)n3n2)C1(C)C ZINC000225592679 464173659 /nfs/dbraw/zinc/17/36/59/464173659.db2.gz SCYWCBKHIXNNAS-PSLIRLAXSA-N 0 0 341.362 2.040 40 0 EEABRN C[C@@H]1CN(C(=O)C[S@](=O)Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000225621625 464176895 /nfs/dbraw/zinc/17/68/95/464176895.db2.gz IJWNQZMVHSEPEG-JWCBKOKGSA-N 0 0 329.849 2.225 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@@H]2c2nc(-c3cccs3)no2)on1 ZINC000225661436 464177950 /nfs/dbraw/zinc/17/79/50/464177950.db2.gz GGVIMYPOAUMGGC-SNVBAGLBSA-N 0 0 346.368 2.308 40 0 EEABRN COc1cccc([C@H]2[C@H](NS(=O)(=O)C3CC3)CCN2C2CC2)c1 ZINC000179906086 464206357 /nfs/dbraw/zinc/20/63/57/464206357.db2.gz WKCHHSJXAMGUDD-SJORKVTESA-N 0 0 336.457 2.055 40 0 EEABRN CCc1cccc(CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)c1 ZINC000189112750 464437184 /nfs/dbraw/zinc/43/71/84/464437184.db2.gz ZUDDMOZUIFXECR-GOSISDBHSA-N 0 0 326.400 2.340 40 0 EEABRN O=C(NCCNC(=O)N1CCc2cc(F)ccc21)c1cccs1 ZINC000241231033 464450919 /nfs/dbraw/zinc/45/09/19/464450919.db2.gz KRJLOOGLHWAPSF-UHFFFAOYSA-N 0 0 333.388 2.389 40 0 EEABRN Cc1nnc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)s1 ZINC000244983737 464466475 /nfs/dbraw/zinc/46/64/75/464466475.db2.gz IPBCETKXXNIUNZ-VIFPVBQESA-N 0 0 340.792 2.315 40 0 EEABRN C[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1nncn1C ZINC000182398349 464644628 /nfs/dbraw/zinc/64/46/28/464644628.db2.gz WPISLCMQVFTIRH-GWCFXTLKSA-N 0 0 333.367 2.228 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1)c1ccco1 ZINC000247490653 464685025 /nfs/dbraw/zinc/68/50/25/464685025.db2.gz MISXUPRCZWPXAB-QRTARXTBSA-N 0 0 330.384 2.282 40 0 EEABRN Fc1cccnc1OC[C@H]1CCOC12CN(Cc1ccncc1)C2 ZINC000247512217 464687931 /nfs/dbraw/zinc/68/79/31/464687931.db2.gz ITWVWHPMEQLCQZ-OAHLLOKOSA-N 0 0 329.375 2.286 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@H]2O[C@H](COCC3CCOCC3)CC[C@@H]21 ZINC000247806424 464707298 /nfs/dbraw/zinc/70/72/98/464707298.db2.gz BKUIPJSTBSSLPA-BZSNNMDCSA-N 0 0 349.427 2.485 40 0 EEABRN COCC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 ZINC000247818271 464707569 /nfs/dbraw/zinc/70/75/69/464707569.db2.gz HCONZKQPFARQSW-INIZCTEOSA-N 0 0 348.443 2.032 40 0 EEABRN COc1ncccc1CN1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247832675 464708996 /nfs/dbraw/zinc/70/89/96/464708996.db2.gz HWKTUXWSSPQWJB-QGZVFWFLSA-N 0 0 328.416 2.098 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)n(C)n1 ZINC000248057214 464727397 /nfs/dbraw/zinc/72/73/97/464727397.db2.gz SSMBHFPJWWGRPG-CQSZACIVSA-N 0 0 348.447 2.402 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000248771406 464799469 /nfs/dbraw/zinc/79/94/69/464799469.db2.gz VOYVCQYYNHJEPD-WDEREUQCSA-N 0 0 348.262 2.149 40 0 EEABRN C[C@H](CC1CCCCC1)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000192592408 464952724 /nfs/dbraw/zinc/95/27/24/464952724.db2.gz CNZFZLIJVDUPLE-CYBMUJFWSA-N 0 0 345.509 2.055 40 0 EEABRN CCc1ccc(O)c(NC(=O)[C@@H]2COCCN2CC(F)(F)F)c1 ZINC000252483541 464961823 /nfs/dbraw/zinc/96/18/23/464961823.db2.gz FEFHLBSTUSZHDE-LBPRGKRZSA-N 0 0 332.322 2.156 40 0 EEABRN COC(=O)[C@H](F)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000252494987 464967930 /nfs/dbraw/zinc/96/79/30/464967930.db2.gz OJXMMMYTHVLSSS-OLZOCXBDSA-N 0 0 333.306 2.172 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N2CCn3nc(C)nc3C2)n1 ZINC000253421537 465008786 /nfs/dbraw/zinc/00/87/86/465008786.db2.gz XJOQYGQAJCCKIS-UHFFFAOYSA-N 0 0 337.387 2.128 40 0 EEABRN C[C@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429436 465012338 /nfs/dbraw/zinc/01/23/38/465012338.db2.gz SDDMRPXJKDPFBO-YTEVENLXSA-N 0 0 338.864 2.121 40 0 EEABRN COCC[C@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000253430900 465013375 /nfs/dbraw/zinc/01/33/75/465013375.db2.gz YBJLDAFSYNWYEX-LLVKDONJSA-N 0 0 349.353 2.290 40 0 EEABRN Cc1ccc(CO)cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000253433501 465015092 /nfs/dbraw/zinc/01/50/92/465015092.db2.gz XQCXXUZIOJKRBY-LJQANCHMSA-N 0 0 340.423 2.327 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(N2CC[C@H](O)[C@@H](C)C2)c1C ZINC000253602327 465018713 /nfs/dbraw/zinc/01/87/13/465018713.db2.gz NJYWONQHPNBEHM-SJCJKPOMSA-N 0 0 344.459 2.447 40 0 EEABRN CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cccc2ccc(=O)[nH]c21 ZINC000362248747 465605162 /nfs/dbraw/zinc/60/51/62/465605162.db2.gz FDRBXWJIAGRZRD-MRXNPFEDSA-N 0 0 347.374 2.258 40 0 EEABRN CC(C)n1ccnc1S(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000299266298 465673694 /nfs/dbraw/zinc/67/36/94/465673694.db2.gz WCBDDTIQMDGVOY-RDBSUJKOSA-N 0 0 341.477 2.321 40 0 EEABRN Cc1nc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c[nH]1 ZINC000331415061 466073703 /nfs/dbraw/zinc/07/37/03/466073703.db2.gz VYPZGGVOPGWKEP-LLVKDONJSA-N 0 0 340.305 2.425 40 0 EEABRN Cc1ccc(NS(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 ZINC000408723087 466681902 /nfs/dbraw/zinc/68/19/02/466681902.db2.gz ZHYPIYWJUZPWBE-UHFFFAOYSA-N 0 0 344.392 2.449 40 0 EEABRN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccn1 ZINC000408730013 466682676 /nfs/dbraw/zinc/68/26/76/466682676.db2.gz DDPOGSXQHWNWFG-UHFFFAOYSA-N 0 0 328.393 2.309 40 0 EEABRN CCOc1ccc(Br)cc1[C@H]1CC(=O)N=C2N=CNN21 ZINC000409371500 466687394 /nfs/dbraw/zinc/68/73/94/466687394.db2.gz WUIAUXFYGOGRFW-SNVBAGLBSA-N 0 0 337.177 2.024 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@H]4C)C3)C2)n1 ZINC000575405664 468141704 /nfs/dbraw/zinc/14/17/04/468141704.db2.gz TZYXYUWWOQKFDK-KBRIMQKVSA-N 0 0 330.428 2.323 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@H]4C)C3)C2)c1 ZINC000575406413 468142905 /nfs/dbraw/zinc/14/29/05/468142905.db2.gz OUNLWTVBHCURHL-DJIMGWMZSA-N 0 0 330.428 2.323 40 0 EEABRN O=C(CCC(=O)c1ccccc1)NCc1nc(C2CCOCC2)no1 ZINC000575607450 468146851 /nfs/dbraw/zinc/14/68/51/468146851.db2.gz NHGWMJLCIMRLGF-UHFFFAOYSA-N 0 0 343.383 2.243 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(-c3ccc(OC)c(OC)c3)n2CC1 ZINC000601043727 468729197 /nfs/dbraw/zinc/72/91/97/468729197.db2.gz HZOHLVRAFOKIDE-LLVKDONJSA-N 0 0 331.372 2.088 40 0 EEABRN Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2CC2CCC2)n1 ZINC000585094615 468963056 /nfs/dbraw/zinc/96/30/56/468963056.db2.gz FPSGNKHQGVJUCJ-HNNXBMFYSA-N 0 0 327.432 2.124 40 0 EEABRN CCN1CC[C@@]2(CN(C(=O)c3ccoc3C)CC(F)(F)C2)C1=O ZINC000585093204 468963109 /nfs/dbraw/zinc/96/31/09/468963109.db2.gz JCEVBHDCDGNIJI-OAHLLOKOSA-N 0 0 326.343 2.308 40 0 EEABRN COc1cc(CN2C[C@@]3(CCNC3=O)CC(F)(F)C2)cc(OC)c1 ZINC000585093208 468963419 /nfs/dbraw/zinc/96/34/19/468963419.db2.gz JILHWMMIKORWJX-MRXNPFEDSA-N 0 0 340.370 2.051 40 0 EEABRN Cc1cc(C(=O)N2C[C@@]3(CCN(C)C3=O)CC(F)(F)C2)cc(C)n1 ZINC000585093444 468963739 /nfs/dbraw/zinc/96/37/39/468963739.db2.gz WXUBXCOPONKATC-MRXNPFEDSA-N 0 0 337.370 2.028 40 0 EEABRN O=C(NCC[C@H]1CCOC12CN(Cc1ccco1)C2)c1ccco1 ZINC000585103076 468970030 /nfs/dbraw/zinc/97/00/30/468970030.db2.gz PQZPBLALMLIORM-AWEZNQCLSA-N 0 0 330.384 2.284 40 0 EEABRN COc1ncccc1CN1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000585104606 468972356 /nfs/dbraw/zinc/97/23/56/468972356.db2.gz JGHNQPVLQZHTNE-INIZCTEOSA-N 0 0 341.411 2.298 40 0 EEABRN O=C(NC[C@H]1CN(CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111446 468975290 /nfs/dbraw/zinc/97/52/90/468975290.db2.gz AQOAXRGLOPEIGZ-KRWDZBQOSA-N 0 0 331.464 2.235 40 0 EEABRN O=C(NC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111447 468975303 /nfs/dbraw/zinc/97/53/03/468975303.db2.gz AQOAXRGLOPEIGZ-QGZVFWFLSA-N 0 0 331.464 2.235 40 0 EEABRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC000585140546 468988541 /nfs/dbraw/zinc/98/85/41/468988541.db2.gz HCBSGLWACZXEMP-BDJLRTHQSA-N 0 0 348.424 2.273 40 0 EEABRN CCN(c1cccc(F)c1)S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000585141670 468992034 /nfs/dbraw/zinc/99/20/34/468992034.db2.gz YXIGXUOSRRDIEN-MRXNPFEDSA-N 0 0 345.436 2.423 40 0 EEABRN CN1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3ccccc3)[C@@H](O)[C@@H]21 ZINC000585262361 468996309 /nfs/dbraw/zinc/99/63/09/468996309.db2.gz ZYAHCVVJDFWFQP-UTRMSSBJSA-N 0 0 338.407 2.206 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccc(F)cn3)C2)c1 ZINC000585268980 468997424 /nfs/dbraw/zinc/99/74/24/468997424.db2.gz GLABWJQWIJCXMY-IBGZPJMESA-N 0 0 346.402 2.171 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)C2CCOCC2)C1 ZINC000585277771 469003662 /nfs/dbraw/zinc/00/36/62/469003662.db2.gz OZUKHMUIAIHWRV-SFHVURJKSA-N 0 0 337.391 2.249 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)c2ncccn2)C1 ZINC000585279199 469004352 /nfs/dbraw/zinc/00/43/52/469004352.db2.gz WZUZNXVZDNCGTQ-GOSISDBHSA-N 0 0 327.384 2.095 40 0 EEABRN CCCn1nccc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585283558 469008152 /nfs/dbraw/zinc/00/81/52/469008152.db2.gz BTHXNEKIRJRKCM-ZTFGCOKTSA-N 0 0 343.427 2.241 40 0 EEABRN COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292037 469012260 /nfs/dbraw/zinc/01/22/60/469012260.db2.gz WDHOXIXTZWOQLB-KFKAGJAMSA-N 0 0 344.411 2.111 40 0 EEABRN Cc1noc(CCCNC(=O)N2CCC(c3ccncc3)CC2)n1 ZINC000683208355 486628614 /nfs/dbraw/zinc/62/86/14/486628614.db2.gz ZYSQSQVVOIBMEW-UHFFFAOYSA-N 0 0 329.404 2.295 40 0 EEABRN CN(C(=O)CCNC(N)=O)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000096492239 500761375 /nfs/dbraw/zinc/76/13/75/500761375.db2.gz ITDSEASUAMHTBB-MRXNPFEDSA-N 0 0 346.818 2.341 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188085838 533811362 /nfs/dbraw/zinc/81/13/62/533811362.db2.gz FRQMODBUXRENAK-AWEZNQCLSA-N 0 0 337.464 2.131 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000028208468 520794585 /nfs/dbraw/zinc/79/45/85/520794585.db2.gz VGZBFLPKHRTKIU-UHFFFAOYSA-N 0 0 338.473 2.272 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)ccn1 ZINC000257214269 534683742 /nfs/dbraw/zinc/68/37/42/534683742.db2.gz CLIMFFHEAFTLQT-OAHLLOKOSA-N 0 0 341.415 2.102 40 0 EEABRN O=C(NCCn1cccc1)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000095447371 526469670 /nfs/dbraw/zinc/46/96/70/526469670.db2.gz LZYHVZRQJDLJGV-CQSZACIVSA-N 0 0 325.771 2.313 40 0 EEABRN CC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000190320470 526709730 /nfs/dbraw/zinc/70/97/30/526709730.db2.gz WBPOSQRYPQEAKC-JTQLQIEISA-N 0 0 343.349 2.166 40 0 EEABRN Cn1nccc1C(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000096484100 527596578 /nfs/dbraw/zinc/59/65/78/527596578.db2.gz OZOHERVPDIDFQX-UHFFFAOYSA-N 0 0 335.726 2.150 40 0 EEABRN CCOc1ccc(CCC(=O)N2Cc3cncn3[C@@H](COC)C2)cc1 ZINC000253613829 535715605 /nfs/dbraw/zinc/71/56/05/535715605.db2.gz OMVJPCKRQKXWMV-QGZVFWFLSA-N 0 0 343.427 2.444 40 0 EEABRN CCc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257262065 535875056 /nfs/dbraw/zinc/87/50/56/535875056.db2.gz LJWSJRRRSVAJCE-BFYDXBDKSA-N 0 0 345.399 2.031 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 ZINC000257253615 536421328 /nfs/dbraw/zinc/42/13/28/536421328.db2.gz JZPLLAAQGQRMNV-HNNXBMFYSA-N 0 0 329.404 2.419 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)c1 ZINC000257227901 537136004 /nfs/dbraw/zinc/13/60/04/537136004.db2.gz FRMPAGWSWQDVKS-ZDUSSCGKSA-N 0 0 333.413 2.054 40 0 EEABRN C[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC001548448245 1124291263 /nfs/dbraw/zinc/29/12/63/1124291263.db2.gz WPVACIPRSXZPAC-CKYFFXLPSA-N 0 0 347.337 2.491 40 0 EEABRN Cc1cccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccsc2)c1 ZINC000058162418 214488173 /nfs/dbraw/zinc/48/81/73/214488173.db2.gz IVOFDNAIUTUDMV-GJZGRUSLSA-N 0 0 325.397 2.368 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)N[C@@H](C)C[S@](C)=O)CCO2)cc1 ZINC000189903008 529716255 /nfs/dbraw/zinc/71/62/55/529716255.db2.gz ONQQXDGMIVXGBZ-BSGVFPLJSA-N 0 0 338.473 2.099 40 0 EEABRN Nc1nc(N)c2nc(SCc3ccc(Cl)cc3)c(N)nc2n1 ZINC000013212165 201888026 /nfs/dbraw/zinc/88/80/26/201888026.db2.gz WOTNXQBZFGGIDY-UHFFFAOYSA-N 0 0 333.808 2.112 40 0 EEABRN CCN(CC)C(=O)C1CCN(Cn2nc(C(C)(C)C)ccc2=O)CC1 ZINC000066793325 215079931 /nfs/dbraw/zinc/07/99/31/215079931.db2.gz CIOLCIOFQJHSKH-UHFFFAOYSA-N 0 0 348.491 2.079 40 0 EEABRN C[C@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)C(=O)N(C)C ZINC000179622410 299169105 /nfs/dbraw/zinc/16/91/05/299169105.db2.gz PQODZVNKQLFYNU-LRDDRELGSA-N 0 0 344.390 2.086 40 0 EEABRN Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)c2sccn12 ZINC000019240777 202001310 /nfs/dbraw/zinc/00/13/10/202001310.db2.gz OJUYLJHRKZIOCY-GFCCVEGCSA-N 0 0 329.429 2.458 40 0 EEABRN Cc1nonc1CNC(=O)CCc1nc(-c2ccccc2Cl)no1 ZINC000019559204 202011390 /nfs/dbraw/zinc/01/13/90/202011390.db2.gz OXEGNUVMQCVWCY-UHFFFAOYSA-N 0 0 347.762 2.330 40 0 EEABRN CNC(=O)c1ccc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)nc1 ZINC000019705609 202016125 /nfs/dbraw/zinc/01/61/25/202016125.db2.gz ZECCXEBNUXTQQO-CQSZACIVSA-N 0 0 342.399 2.066 40 0 EEABRN C[C@@]1(C(=O)NC2CCCC2)CCCN(CC(=O)Nc2ccccn2)C1 ZINC000019746690 202017862 /nfs/dbraw/zinc/01/78/62/202017862.db2.gz NHJZXKRYPASIAY-LJQANCHMSA-N 0 0 344.459 2.181 40 0 EEABRN CCCNC(=O)[C@H]1CCN(C(=O)c2cc3cc(C)ccc3n2C)C1 ZINC000019747865 202017905 /nfs/dbraw/zinc/01/79/05/202017905.db2.gz TXMHZFAXOSRGTR-AWEZNQCLSA-N 0 0 327.428 2.475 40 0 EEABRN CC(C)C(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 ZINC000019752347 202019203 /nfs/dbraw/zinc/01/92/03/202019203.db2.gz BTSHUXXGILLXKJ-INIZCTEOSA-N 0 0 345.491 2.240 40 0 EEABRN CCOCCCNC(=O)c1cn(CC)c2ccc(OC)cc2c1=O ZINC000022235942 202080835 /nfs/dbraw/zinc/08/08/35/202080835.db2.gz WHAJFHBGXGKACL-UHFFFAOYSA-N 0 0 332.400 2.186 40 0 EEABRN CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000022250707 202081838 /nfs/dbraw/zinc/08/18/38/202081838.db2.gz RMIWBQZYFOXWHQ-UHFFFAOYSA-N 0 0 334.397 2.293 40 0 EEABRN CCOC(=O)C1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000022251015 202082255 /nfs/dbraw/zinc/08/22/55/202082255.db2.gz VDQBTZYPFWCIFT-UHFFFAOYSA-N 0 0 335.400 2.048 40 0 EEABRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000022456896 202085464 /nfs/dbraw/zinc/08/54/64/202085464.db2.gz NLKHNDGGSKUWHN-UHFFFAOYSA-N 0 0 348.424 2.474 40 0 EEABRN Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000031057969 202202361 /nfs/dbraw/zinc/20/23/61/202202361.db2.gz XWVBVAAIUNNLFZ-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN COCC1=CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000187100729 236117667 /nfs/dbraw/zinc/11/76/67/236117667.db2.gz AKFWQDZTTBSHJR-UHFFFAOYSA-N 0 0 328.416 2.484 40 0 EEABRN Cn1c(N)nnc1SCCOc1cc(F)cc(Br)c1 ZINC000187109750 236120700 /nfs/dbraw/zinc/12/07/00/236120700.db2.gz YRIOSHGTFLDNNN-UHFFFAOYSA-N 0 0 347.213 2.470 40 0 EEABRN CN1C(SCc2ccc(F)cc2Cl)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508650 202226712 /nfs/dbraw/zinc/22/67/12/202226712.db2.gz HBUPLPCPMYKVIV-RYUDHWBXSA-N 0 0 348.852 2.179 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079044124 236993101 /nfs/dbraw/zinc/99/31/01/236993101.db2.gz HCBFLGXOMJBDTJ-MNOVXSKESA-N 0 0 342.798 2.374 40 0 EEABRN C[C@@H]1CN=C(N2CCN(CCOCC(F)(F)C(F)F)CC2)S1 ZINC000189702822 237161030 /nfs/dbraw/zinc/16/10/30/237161030.db2.gz PGWWVPPDGIHNIH-SNVBAGLBSA-N 0 0 343.390 2.012 40 0 EEABRN O=C(NCCc1nc2c(s1)CCCC2)C1(O)Cc2ccccc2C1 ZINC000073282488 202369879 /nfs/dbraw/zinc/36/98/79/202369879.db2.gz RBBORQXUZGTTBK-UHFFFAOYSA-N 0 0 342.464 2.211 40 0 EEABRN CN1CCN(S(=O)(=O)c2cccc(COc3ccccc3)c2)CC1 ZINC000072264767 202359624 /nfs/dbraw/zinc/35/96/24/202359624.db2.gz ZLJDLORUVCHWQO-UHFFFAOYSA-N 0 0 346.452 2.202 40 0 EEABRN COc1ccc(-c2csc(CNC(=O)c3cnn(C)c3)n2)cc1 ZINC000072264895 202360130 /nfs/dbraw/zinc/36/01/30/202360130.db2.gz LGEWBMOZDWJQSP-UHFFFAOYSA-N 0 0 328.397 2.482 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1C ZINC000072533608 202364145 /nfs/dbraw/zinc/36/41/45/202364145.db2.gz PLWICNOKLBBSKT-JTQLQIEISA-N 0 0 349.818 2.248 40 0 EEABRN Cc1cc(Br)ccc1C(=O)NCC1(O)CCOCC1 ZINC000075229465 202379824 /nfs/dbraw/zinc/37/98/24/202379824.db2.gz NRIQIAGIAFFNGP-UHFFFAOYSA-N 0 0 328.206 2.029 40 0 EEABRN Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000078657697 202399195 /nfs/dbraw/zinc/39/91/95/202399195.db2.gz FDSVFOGEZRPCRP-UHFFFAOYSA-N 0 0 327.384 2.078 40 0 EEABRN Cc1cc([C@H]2NC(=O)CN2Cc2ccccc2)ccc1-n1cncn1 ZINC000078763198 202399622 /nfs/dbraw/zinc/39/96/22/202399622.db2.gz HPWSAKKKLDKQEM-IBGZPJMESA-N 0 0 333.395 2.206 40 0 EEABRN O=C(NCCOC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccncc1 ZINC000076853898 202389069 /nfs/dbraw/zinc/38/90/69/202389069.db2.gz MRSYXOKPFLSOBH-HIFRSBDPSA-N 0 0 346.333 2.437 40 0 EEABRN O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CC=CCC1 ZINC000076477515 202389496 /nfs/dbraw/zinc/38/94/96/202389496.db2.gz RRCPTQMWSOOFTN-KGLIPLIRSA-N 0 0 349.456 2.415 40 0 EEABRN CNC(=O)c1ccc(CN(CC(=O)Nc2cccnc2)C2CC2)cc1 ZINC000078405086 202389770 /nfs/dbraw/zinc/38/97/70/202389770.db2.gz YSMRDTLBXMWMQK-UHFFFAOYSA-N 0 0 338.411 2.044 40 0 EEABRN CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000077747709 202392538 /nfs/dbraw/zinc/39/25/38/202392538.db2.gz ZAMVVJQMNOTDPE-UKRRQHHQSA-N 0 0 333.432 2.282 40 0 EEABRN C[C@@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1nnc2ccccn21 ZINC000077529533 202392606 /nfs/dbraw/zinc/39/26/06/202392606.db2.gz JCXRUQIPWOTPEA-BZNIZROVSA-N 0 0 345.428 2.059 40 0 EEABRN C[C@@](O)(CNC(=O)NCCOc1cccc(F)c1)c1ccsc1 ZINC000077532395 202393569 /nfs/dbraw/zinc/39/35/69/202393569.db2.gz FJMKURSXLSXQSF-MRXNPFEDSA-N 0 0 338.404 2.473 40 0 EEABRN CC(C)Oc1cccnc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000079442778 202435394 /nfs/dbraw/zinc/43/53/94/202435394.db2.gz ADQAQDJHLJDZAG-UHFFFAOYSA-N 0 0 340.383 2.312 40 0 EEABRN CCOc1ccc(NC(=O)NCCNC(C)=O)cc1Br ZINC000189501086 201047846 /nfs/dbraw/zinc/04/78/46/201047846.db2.gz YPXIFZDZUOIDOF-UHFFFAOYSA-N 0 0 344.209 2.105 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000188919465 201045028 /nfs/dbraw/zinc/04/50/28/201045028.db2.gz XOTWSNRFTPCAAQ-ZWKOTPCHSA-N 0 0 346.471 2.434 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000055949985 202699693 /nfs/dbraw/zinc/69/96/93/202699693.db2.gz JERJYPURLWLGSZ-UHFFFAOYSA-N 0 0 346.452 2.152 40 0 EEABRN CCC[C@@]1(COC)CCCN1C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000193851559 240336633 /nfs/dbraw/zinc/33/66/33/240336633.db2.gz DDEOFJFRDUZRCM-KSSFIOAISA-N 0 0 349.479 2.146 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 ZINC000096184836 283877323 /nfs/dbraw/zinc/87/73/23/283877323.db2.gz TZPRLNOUDXMABC-CVEARBPZSA-N 0 0 326.375 2.038 40 0 EEABRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 ZINC000218409547 241319798 /nfs/dbraw/zinc/31/97/98/241319798.db2.gz XEEJTCFSMZNRGX-QZTJIDSGSA-N 0 0 346.448 2.160 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 ZINC000218362730 241317659 /nfs/dbraw/zinc/31/76/59/241317659.db2.gz BXRWTUGXDKJDCD-QZTJIDSGSA-N 0 0 346.448 2.214 40 0 EEABRN O=C(CC[C@H]1CCCO1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088236463 202779698 /nfs/dbraw/zinc/77/96/98/202779698.db2.gz PGLALKLYWNKGTJ-BXUZGUMPSA-N 0 0 338.354 2.146 40 0 EEABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000224876766 241782851 /nfs/dbraw/zinc/78/28/51/241782851.db2.gz PLLMLZZPBBIJKB-ZDUSSCGKSA-N 0 0 330.428 2.057 40 0 EEABRN CC1(C)CN(C(=O)NCCCc2nnc3ccccn32)CC(C)(C)O1 ZINC000225511500 241905944 /nfs/dbraw/zinc/90/59/44/241905944.db2.gz VNGKHAMDRVKDBD-UHFFFAOYSA-N 0 0 345.447 2.261 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc(C)cc1 ZINC000225881110 242069145 /nfs/dbraw/zinc/06/91/45/242069145.db2.gz NHGLMPRKANDYNV-UHFFFAOYSA-N 0 0 339.442 2.408 40 0 EEABRN Cc1nc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cs1 ZINC000225789652 242036944 /nfs/dbraw/zinc/03/69/44/242036944.db2.gz RBCUDKRPCRVQQY-UHFFFAOYSA-N 0 0 343.456 2.083 40 0 EEABRN CCn1ccc(NC(=O)COc2nn(-c3ccccc3)cc2C)n1 ZINC000226852059 242117040 /nfs/dbraw/zinc/11/70/40/242117040.db2.gz GYIOWFGPUYZMCR-UHFFFAOYSA-N 0 0 325.372 2.415 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cc(C2CC2)on1 ZINC000240002274 242965563 /nfs/dbraw/zinc/96/55/63/242965563.db2.gz PQZBVMQFTRJVIP-JOCQHMNTSA-N 0 0 328.372 2.462 40 0 EEABRN COc1ccc2nc(CSc3nc4nc(C)cc(C)n4n3)[nH]c2n1 ZINC000239654164 242959034 /nfs/dbraw/zinc/95/90/34/242959034.db2.gz BMTNCSRTVZJYLD-UHFFFAOYSA-N 0 0 341.400 2.313 40 0 EEABRN Cc1ccccc1NC(=O)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067596391 202919764 /nfs/dbraw/zinc/91/97/64/202919764.db2.gz UTFPGBFMSRGLEX-UHFFFAOYSA-N 0 0 345.443 2.041 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000248140075 243536079 /nfs/dbraw/zinc/53/60/79/243536079.db2.gz PYGCULAMTRVUMH-HNNXBMFYSA-N 0 0 343.452 2.337 40 0 EEABRN CCN1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2CCC1=O ZINC000252508245 243833597 /nfs/dbraw/zinc/83/35/97/243833597.db2.gz XIAHIVZTWDBNTJ-CYBMUJFWSA-N 0 0 336.457 2.406 40 0 EEABRN CCC(=O)c1ccc(N(C)Cc2cscn2)c(S(N)(=O)=O)c1 ZINC000252488477 243790994 /nfs/dbraw/zinc/79/09/94/243790994.db2.gz ISSFOBPCXHCEAO-UHFFFAOYSA-N 0 0 339.442 2.020 40 0 EEABRN Cc1nc([C@H](NC(=O)Cc2cc[nH]n2)c2ccc(Cl)cc2)no1 ZINC000092701917 203086904 /nfs/dbraw/zinc/08/69/04/203086904.db2.gz SCBAMYFWDQAQQU-CQSZACIVSA-N 0 0 331.763 2.203 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](OCc2cccnc2)CS3)on1 ZINC000253600659 244034697 /nfs/dbraw/zinc/03/46/97/244034697.db2.gz VSOJNABPMKBYAX-AWEZNQCLSA-N 0 0 345.424 2.295 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nccnc3N)C2)cc1 ZINC000257208811 244142993 /nfs/dbraw/zinc/14/29/93/244142993.db2.gz BNQZRJBNPNWFED-CQSZACIVSA-N 0 0 346.456 2.011 40 0 EEABRN O=C(c1cnc2ccccc2c1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257212646 244155809 /nfs/dbraw/zinc/15/58/09/244155809.db2.gz CEIMVVCOILSEOR-GOSISDBHSA-N 0 0 348.406 2.499 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 ZINC000257224764 244198499 /nfs/dbraw/zinc/19/84/99/244198499.db2.gz FDHAKRRWOQXSTH-CQSZACIVSA-N 0 0 348.410 2.357 40 0 EEABRN CCN(C(C)=O)[C@H]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000257227830 244207622 /nfs/dbraw/zinc/20/76/22/244207622.db2.gz FRCXYOCVUKEMLC-KRWDZBQOSA-N 0 0 345.443 2.104 40 0 EEABRN NC(=O)c1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 ZINC000072388145 203212287 /nfs/dbraw/zinc/21/22/87/203212287.db2.gz MHZWHTVPBVKUHY-HNNXBMFYSA-N 0 0 345.786 2.048 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2ccnc(-c3nccs3)c2)C1 ZINC000257238298 244234489 /nfs/dbraw/zinc/23/44/89/244234489.db2.gz HKIZMDJCQLJNND-CYBMUJFWSA-N 0 0 337.470 2.419 40 0 EEABRN Cn1cc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)C2CCCC2)cn1 ZINC000072354826 203204615 /nfs/dbraw/zinc/20/46/15/203204615.db2.gz MJWXJAWOIHBBCD-HNNXBMFYSA-N 0 0 340.431 2.313 40 0 EEABRN CCC(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363588 203206617 /nfs/dbraw/zinc/20/66/17/203206617.db2.gz BKDHDMPWUZFVHS-CYBMUJFWSA-N 0 0 326.404 2.435 40 0 EEABRN CC(=O)N1CCN(c2ccnc(C)n2)C[C@H](COc2ccccc2)C1 ZINC000072376714 203208675 /nfs/dbraw/zinc/20/86/75/203208675.db2.gz GDUPEEUVHBJBTD-QGZVFWFLSA-N 0 0 340.427 2.149 40 0 EEABRN Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000257250827 244269055 /nfs/dbraw/zinc/26/90/55/244269055.db2.gz JODPDDISCXFRCL-AWEZNQCLSA-N 0 0 348.410 2.292 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395669 203213818 /nfs/dbraw/zinc/21/38/18/203213818.db2.gz FDHNSLMXSIYHIH-ZBAXXZLZSA-N 0 0 339.390 2.163 40 0 EEABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3cccc(C)n3)C2)CC1 ZINC000257271954 244379478 /nfs/dbraw/zinc/37/94/78/244379478.db2.gz NALSISPCSOQYMW-KRWDZBQOSA-N 0 0 343.471 2.430 40 0 EEABRN O=C(c1cc[nH]n1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257272008 244379673 /nfs/dbraw/zinc/37/96/73/244379673.db2.gz NASJXLXJXASTOI-ZDUSSCGKSA-N 0 0 325.368 2.487 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccnc1)C2 ZINC000257331755 244553110 /nfs/dbraw/zinc/55/31/10/244553110.db2.gz XUCSUELARINZAP-MJQMVNBJSA-N 0 0 327.428 2.476 40 0 EEABRN Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)nn1 ZINC000096043342 203803499 /nfs/dbraw/zinc/80/34/99/203803499.db2.gz KTLHOXWIXJJHGX-IXDOHACOSA-N 0 0 344.459 2.075 40 0 EEABRN c1cncc(CO[C@H]2CO[C@@]3(C2)CCCN(c2cnccn2)C3)c1 ZINC000096073598 203823848 /nfs/dbraw/zinc/82/38/48/203823848.db2.gz TYABHGGHMAJQOI-SJLPKXTDSA-N 0 0 326.400 2.216 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)o1 ZINC000096207713 203867488 /nfs/dbraw/zinc/86/74/88/203867488.db2.gz FOAPJDZAXVUCJV-ACJLOTCBSA-N 0 0 343.383 2.180 40 0 EEABRN CNC(=O)C[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21 ZINC000096241929 203881174 /nfs/dbraw/zinc/88/11/74/203881174.db2.gz IVSISHXRIFPHAH-CQSZACIVSA-N 0 0 329.444 2.325 40 0 EEABRN O=C1NC(=O)[C@@H]2[C@H]1N(Cc1ccccc1)N[C@@H]2c1ccccc1Cl ZINC000101802228 204022262 /nfs/dbraw/zinc/02/22/62/204022262.db2.gz RRXCJQDJLNMSPY-ARFHVFGLSA-N 0 0 341.798 2.043 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccnc1)c1ccco1 ZINC000107257475 204229599 /nfs/dbraw/zinc/22/95/99/204229599.db2.gz RNANTIGPSUUVHE-XYJFISCASA-N 0 0 341.411 2.084 40 0 EEABRN Cc1nnc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)s1 ZINC000044204435 204297600 /nfs/dbraw/zinc/29/76/00/204297600.db2.gz UUCINTHKPKNQIY-IUODEOHRSA-N 0 0 345.424 2.393 40 0 EEABRN CCN(C)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C ZINC000257258240 284308582 /nfs/dbraw/zinc/30/85/82/284308582.db2.gz KSYHKCRUMUBUHF-AEFFLSMTSA-N 0 0 332.444 2.399 40 0 EEABRN O=C(c1ccn2ccnc2c1)N1CCN(c2ccncc2Cl)CC1 ZINC000095438379 284724304 /nfs/dbraw/zinc/72/43/04/284724304.db2.gz ZCOLLUHNSNRCNO-UHFFFAOYSA-N 0 0 341.802 2.345 40 0 EEABRN CC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396401 218328317 /nfs/dbraw/zinc/32/83/17/218328317.db2.gz LXNAXXBGOBJLIM-BXUZGUMPSA-N 0 0 339.457 2.401 40 0 EEABRN Cc1nc(C)c(C)c(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000095416555 218355989 /nfs/dbraw/zinc/35/59/89/218355989.db2.gz CYQUNRGTTDJBGZ-GFCCVEGCSA-N 0 0 330.354 2.297 40 0 EEABRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000095445821 218390164 /nfs/dbraw/zinc/39/01/64/218390164.db2.gz KARKGANVXNIVRG-ZDUSSCGKSA-N 0 0 344.386 2.237 40 0 EEABRN CC(C)CC[C@@H]1CCCN(C(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000095450019 218394997 /nfs/dbraw/zinc/39/49/97/218394997.db2.gz GSSPHFCDLQAFLL-ZDUSSCGKSA-N 0 0 343.431 2.117 40 0 EEABRN CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N(C)C1 ZINC000012529808 207165478 /nfs/dbraw/zinc/16/54/78/207165478.db2.gz QKFRTJROUUPZCN-STQMWFEESA-N 0 0 349.822 2.454 40 0 biogenic,in-vitro EEABRN CC1(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)CCOCC1 ZINC000096403259 218750893 /nfs/dbraw/zinc/75/08/93/218750893.db2.gz KQJOXEPLPWNNPN-UHFFFAOYSA-N 0 0 349.406 2.319 40 0 EEABRN O=C(NC(C1CCCC1)C1CCCC1)N1CCS(=O)(=O)CC1 ZINC000096410478 218764257 /nfs/dbraw/zinc/76/42/57/218764257.db2.gz ZUFWOJFVLOMAMK-UHFFFAOYSA-N 0 0 328.478 2.175 40 0 EEABRN CCCc1nc([C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc2)no1 ZINC000096412099 218767723 /nfs/dbraw/zinc/76/77/23/218767723.db2.gz TVLVNYVYAYPHJK-INIZCTEOSA-N 0 0 338.367 2.230 40 0 EEABRN O=C(CSc1ncccc1Br)NC[C@H]1CCCO1 ZINC000096411973 218768065 /nfs/dbraw/zinc/76/80/65/218768065.db2.gz CZGGXLZTSJHPGF-SECBINFHSA-N 0 0 331.235 2.231 40 0 EEABRN CCc1ncncc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000096416706 218777563 /nfs/dbraw/zinc/77/75/63/218777563.db2.gz LERBOVFOMRGWAU-HNNXBMFYSA-N 0 0 344.802 2.228 40 0 EEABRN CC(C)N1CC[C@H](Nc2ccc(CS(=O)(=O)C(C)C)cc2)C1=O ZINC000096447860 218830831 /nfs/dbraw/zinc/83/08/31/218830831.db2.gz OHLZXVDVRJMULI-INIZCTEOSA-N 0 0 338.473 2.431 40 0 EEABRN O=C1C[C@@]2(CCSC2)C(=O)N1CCN1CCCc2ccccc21 ZINC000096489276 218867119 /nfs/dbraw/zinc/86/71/19/218867119.db2.gz JCIWCTSMHCSHBN-GOSISDBHSA-N 0 0 330.453 2.321 40 0 EEABRN CCc1ncc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000096483304 218858958 /nfs/dbraw/zinc/85/89/58/218858958.db2.gz VKPFZEZJMKHVJV-LBPRGKRZSA-N 0 0 338.454 2.221 40 0 EEABRN CN(C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C(C1CC1)C1CC1 ZINC000096502592 218879275 /nfs/dbraw/zinc/87/92/75/218879275.db2.gz RGIDXAWRXBWKGJ-INIZCTEOSA-N 0 0 342.443 2.407 40 0 EEABRN CCc1cnc([C@H](C)NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000096500352 218875570 /nfs/dbraw/zinc/87/55/70/218875570.db2.gz UFANMVIGPOKNJQ-QWRGUYRKSA-N 0 0 336.461 2.077 40 0 EEABRN Cc1ccnc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000097371949 219016613 /nfs/dbraw/zinc/01/66/13/219016613.db2.gz FKPJTEMQGDDZLZ-UHFFFAOYSA-N 0 0 331.441 2.120 40 0 EEABRN COCCC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000097376296 219019078 /nfs/dbraw/zinc/01/90/78/219019078.db2.gz XQVVCZDAYIURBP-UHFFFAOYSA-N 0 0 332.444 2.470 40 0 EEABRN CN1CCC(=O)Nc2cc(C(=O)NCCc3ccc(O)cc3)ccc21 ZINC000267286214 256045770 /nfs/dbraw/zinc/04/57/70/256045770.db2.gz ANRGYPKXSZRNPW-UHFFFAOYSA-N 0 0 339.395 2.143 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000242390288 257684291 /nfs/dbraw/zinc/68/42/91/257684291.db2.gz AISZBNKRPXIXAP-SCRDCRAPSA-N 0 0 347.889 2.159 40 0 EEABRN Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000408554939 257897395 /nfs/dbraw/zinc/89/73/95/257897395.db2.gz VTRGVUKPMNKPOT-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN O=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)c1ccnc(-n2cncn2)c1 ZINC000079033049 257835282 /nfs/dbraw/zinc/83/52/82/257835282.db2.gz XPJUTAWXCTXUAM-SJORKVTESA-N 0 0 349.394 2.392 40 0 EEABRN C[C@@H](C(=O)NC1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956859 257915246 /nfs/dbraw/zinc/91/52/46/257915246.db2.gz HNMZPDCZARRYOE-JTQLQIEISA-N 0 0 346.399 2.178 40 0 EEABRN O=C(C1CC(F)(F)C1)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000306135585 257922092 /nfs/dbraw/zinc/92/20/92/257922092.db2.gz OVGLXPYGFYKMNH-CYBMUJFWSA-N 0 0 338.354 2.266 40 0 EEABRN C[C@@H]1CC=CC[C@@H]1COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000219665376 258001492 /nfs/dbraw/zinc/00/14/92/258001492.db2.gz WPDNCNFXMSWMPC-CKEIUWERSA-N 0 0 341.411 2.252 40 0 EEABRN Clc1ccc2nc(CN3CCN(c4ncccn4)CC3)cn2c1 ZINC000057727977 132201356 /nfs/dbraw/zinc/20/13/56/132201356.db2.gz PWXFQFMCYRZHRI-UHFFFAOYSA-N 0 0 328.807 2.100 40 0 EEABRN Cc1cc2nc(C3CC[NH+](C4CCN(C)CC4)CC3)cc(=O)n2[n-]1 ZINC000257201595 292022739 /nfs/dbraw/zinc/02/27/39/292022739.db2.gz AIGVPEHQQMCAIW-UHFFFAOYSA-N 0 0 329.448 2.017 40 0 EEABRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nccnc2N)cc1 ZINC000081328913 292094634 /nfs/dbraw/zinc/09/46/34/292094634.db2.gz RUCPLNRWIUPRHU-MRXNPFEDSA-N 0 0 340.427 2.231 40 0 EEABRN Cc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1 ZINC000001579235 292099692 /nfs/dbraw/zinc/09/96/92/292099692.db2.gz JVLJUKYMUZQJRB-UHFFFAOYSA-N 0 0 335.407 2.097 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)CC(F)(F)F)C2=O)c(C)c1 ZINC000189391056 292281591 /nfs/dbraw/zinc/28/15/91/292281591.db2.gz UKMCWEWNBQQSQF-ABAIWWIYSA-N 0 0 344.333 2.384 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)C[C@H](C)O1 ZINC000057355130 296862892 /nfs/dbraw/zinc/86/28/92/296862892.db2.gz KHWZGWGBCAXIOS-ZFHGCVPZSA-N 0 0 348.418 2.371 40 0 EEABRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)CCc1nc2ccccc2[nH]1 ZINC000288222336 275036481 /nfs/dbraw/zinc/03/64/81/275036481.db2.gz CXCMGRPIVNSDGI-UNVVTRJASA-N 0 0 325.412 2.377 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H]1Sc2ccccc2CN(C=C=O)C1=O ZINC000064219579 277203525 /nfs/dbraw/zinc/20/35/25/277203525.db2.gz DTUQEWBBYPLBJE-CYBMUJFWSA-N 0 0 334.397 2.317 40 0 EEABRN CC(C)N1CN=C2N[C@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638712 277631597 /nfs/dbraw/zinc/63/15/97/277631597.db2.gz UYYZUNVSTJAXLW-KRWDZBQOSA-N 0 0 347.426 2.383 40 0 EEABRN CN(C)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cncnc2)s1 ZINC000257255880 282013172 /nfs/dbraw/zinc/01/31/72/282013172.db2.gz KJGLZIHUXTUZIU-LBPRGKRZSA-N 0 0 345.428 2.002 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000252517331 288645846 /nfs/dbraw/zinc/64/58/46/288645846.db2.gz FYOILDKKNVQBSV-RUZGCFLTSA-N 0 0 348.418 2.229 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072239428 301776303 /nfs/dbraw/zinc/77/63/03/301776303.db2.gz LHOARGIZSCGVNW-NVXWUHKLSA-N 0 0 332.469 2.480 40 0 EEABRN C[C@@H](C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCN(C)CC1 ZINC000332298545 311985039 /nfs/dbraw/zinc/98/50/39/311985039.db2.gz MXRDICDUZNBXFQ-ZDUSSCGKSA-N 0 0 347.850 2.100 40 0 EEABRN CC(C)Oc1cncc(C(=O)N2CCn3c(nnc3C(C)C)C2)c1 ZINC000332598947 312032000 /nfs/dbraw/zinc/03/20/00/312032000.db2.gz QCNNKVGSTPCYRY-UHFFFAOYSA-N 0 0 329.404 2.240 40 0 EEABRN O=C(c1ccc2c(c1)OCCCO2)N1CCNC[C@@H]1c1ccncc1 ZINC000333268715 312121689 /nfs/dbraw/zinc/12/16/89/312121689.db2.gz KAZYKCSEIIKEQJ-MRXNPFEDSA-N 0 0 339.395 2.030 40 0 EEABRN CN1CC[C@H](CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000425180031 314349848 /nfs/dbraw/zinc/34/98/48/314349848.db2.gz CRFWXFUABPDSLX-ZDUSSCGKSA-N 0 0 338.473 2.131 40 0 EEABRN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1-c1ncco1 ZINC000097104118 323321135 /nfs/dbraw/zinc/32/11/35/323321135.db2.gz MFDCQOIXHZXUGM-CYBMUJFWSA-N 0 0 338.371 2.378 40 0 EEABRN Cc1ncn(C[C@H](O)COc2cccc(C(F)(F)F)c2)c(=O)c1C ZINC000097238457 323321264 /nfs/dbraw/zinc/32/12/64/323321264.db2.gz ZNUPANLTBKGEDX-ZDUSSCGKSA-N 0 0 342.317 2.319 40 0 EEABRN COCc1nsc(NC(=O)c2c[nH]nc2-c2ccccc2F)n1 ZINC000097104353 323321442 /nfs/dbraw/zinc/32/14/42/323321442.db2.gz YCVJWNHVJJAORS-UHFFFAOYSA-N 0 0 333.348 2.466 40 0 EEABRN COCCCNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000097371603 323322153 /nfs/dbraw/zinc/32/21/53/323322153.db2.gz FBSGQCUNKKRZNO-OAHLLOKOSA-N 0 0 343.431 2.397 40 0 EEABRN CN(C)c1ccnc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000133601364 323329628 /nfs/dbraw/zinc/32/96/28/323329628.db2.gz BUVWHLHVECLTMW-GUYCJALGSA-N 0 0 347.365 2.374 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000190024941 323466378 /nfs/dbraw/zinc/46/63/78/323466378.db2.gz WSFGRUIHAAMBKS-LLVKDONJSA-N 0 0 344.864 2.231 40 0 EEABRN Cc1ccc(NC(=O)Cn2c(=O)cc(C)nc2N2CCCCC2)cc1 ZINC000049410923 462969383 /nfs/dbraw/zinc/96/93/83/462969383.db2.gz JHIGUABBEVLAHO-UHFFFAOYSA-N 0 0 340.427 2.489 40 0 EEABRN CC[C@H](NC(=O)CS(=O)(=O)CC)c1nc(C(F)(F)F)cs1 ZINC000096443904 463269296 /nfs/dbraw/zinc/26/92/96/463269296.db2.gz JCJIRTHNHMKKKE-ZETCQYMHSA-N 0 0 344.380 2.164 40 0 EEABRN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 ZINC000000424198 462561261 /nfs/dbraw/zinc/56/12/61/462561261.db2.gz GIVSOJCWPUHXEE-UHFFFAOYSA-N 0 0 341.342 2.248 40 0 EEABRN O=C(Nc1ccccn1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000045184499 462566473 /nfs/dbraw/zinc/56/64/73/462566473.db2.gz VMEAGBPGFUTARK-INIZCTEOSA-N 0 0 326.400 2.277 40 0 EEABRN CNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000001349962 462579862 /nfs/dbraw/zinc/57/98/62/462579862.db2.gz YNVFOTQXPWEHNK-UHFFFAOYSA-N 0 0 348.497 2.445 40 0 EEABRN Cc1nc(CSc2nnc(C3CC3)n2CCC(N)=O)sc1C ZINC000086987605 462581982 /nfs/dbraw/zinc/58/19/82/462581982.db2.gz OJAAZDFAPZYELX-UHFFFAOYSA-N 0 0 337.474 2.397 40 0 EEABRN CCc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000045520842 462593830 /nfs/dbraw/zinc/59/38/30/462593830.db2.gz MEWVNXWLNNZCEM-UHFFFAOYSA-N 0 0 339.438 2.453 40 0 EEABRN COCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000002820236 462604235 /nfs/dbraw/zinc/60/42/35/462604235.db2.gz NUZFLSJTRDYDFU-SSZFMOIBSA-N 0 0 328.368 2.203 40 0 EEABRN O=C(CN(C(=O)c1csnn1)c1cccc(F)c1)NC1CCCC1 ZINC000004890138 462639427 /nfs/dbraw/zinc/63/94/27/462639427.db2.gz VLMYYZATMBQLDU-UHFFFAOYSA-N 0 0 348.403 2.383 40 0 EEABRN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(c1ccccc1)S(C)(=O)=O ZINC000004904434 462640851 /nfs/dbraw/zinc/64/08/51/462640851.db2.gz AGHDITZFRBRKFB-LBPRGKRZSA-N 0 0 343.408 2.450 40 0 EEABRN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC)C2)cc1OCC ZINC000046128425 462651325 /nfs/dbraw/zinc/65/13/25/462651325.db2.gz NVNPKDXNZNMFES-HNNXBMFYSA-N 0 0 348.443 2.011 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000006199822 462679699 /nfs/dbraw/zinc/67/96/99/462679699.db2.gz VVZRFMPUMLJMEX-ZENOOKHLSA-N 0 0 333.384 2.065 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000006260028 462680898 /nfs/dbraw/zinc/68/08/98/462680898.db2.gz QKXYEIJWTIGHOB-JTQLQIEISA-N 0 0 340.351 2.270 40 0 EEABRN CCn1nc(C)c(NC(=O)NCCC(=O)N2CCCCCC2)c1C ZINC000089481297 462686235 /nfs/dbraw/zinc/68/62/35/462686235.db2.gz GQMSPOYHTDQBHJ-UHFFFAOYSA-N 0 0 335.452 2.434 40 0 EEABRN CCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 ZINC000006648501 462694205 /nfs/dbraw/zinc/69/42/05/462694205.db2.gz LTUGEYZWRFJYMW-CYBMUJFWSA-N 0 0 342.461 2.059 40 0 EEABRN CCCCNC(=O)COc1ccc(S(=O)(=O)NCCCC)cc1 ZINC000006648486 462694507 /nfs/dbraw/zinc/69/45/07/462694507.db2.gz AVGZEEYQFFRIAL-UHFFFAOYSA-N 0 0 342.461 2.060 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N(CC)CC)cc1 ZINC000006880202 462710546 /nfs/dbraw/zinc/71/05/46/462710546.db2.gz GFXCAUBKKJLSHY-UHFFFAOYSA-N 0 0 326.462 2.176 40 0 EEABRN N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000006970392 462714047 /nfs/dbraw/zinc/71/40/47/462714047.db2.gz VNKKRIKBEMBSNZ-QIPRVMPFSA-N 0 0 325.412 2.489 40 0 EEABRN O=C(NC[C@@H]1CN2CCN1CC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090608746 462803061 /nfs/dbraw/zinc/80/30/61/462803061.db2.gz JGUJELHHYRFHPG-QGZVFWFLSA-N 0 0 347.890 2.268 40 0 EEABRN O=C(N[C@H](c1nccs1)C1CC1)c1cc(N2CCOCC2)ccn1 ZINC000131290312 462803205 /nfs/dbraw/zinc/80/32/05/462803205.db2.gz CZHUCOMPKDXFAE-HNNXBMFYSA-N 0 0 344.440 2.256 40 0 EEABRN CCN(CC)C(=O)Cn1nc(C)n2c3cc(C)sc3cc2c1=O ZINC000012115321 462843916 /nfs/dbraw/zinc/84/39/16/462843916.db2.gz XJDSOIMQUANUJH-UHFFFAOYSA-N 0 0 332.429 2.196 40 0 EEABRN CCCn1ncc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)c1C ZINC000012141915 462845336 /nfs/dbraw/zinc/84/53/36/462845336.db2.gz QEOLAMXPHHITJW-LBPRGKRZSA-N 0 0 326.404 2.165 40 0 EEABRN O=C(c1cccs1)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000012181414 462846346 /nfs/dbraw/zinc/84/63/46/462846346.db2.gz KMKYSVWYDBFLKW-UHFFFAOYSA-N 0 0 344.440 2.020 40 0 EEABRN COc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000013547759 462896125 /nfs/dbraw/zinc/89/61/25/462896125.db2.gz NEMOZOUNRBMOKL-PHIMTYICSA-N 0 0 325.430 2.497 40 0 EEABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCN1CCOCC1 ZINC000013709490 462901320 /nfs/dbraw/zinc/90/13/20/462901320.db2.gz RXKQSNGKCKEOMP-HNNXBMFYSA-N 0 0 328.412 2.056 40 0 EEABRN CCCCNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715669 462902615 /nfs/dbraw/zinc/90/26/15/462902615.db2.gz XFSSUXWOKRAICE-CQSZACIVSA-N 0 0 330.425 2.287 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133304639 462917571 /nfs/dbraw/zinc/91/75/71/462917571.db2.gz UPQBXVYQUFAFSO-HNNXBMFYSA-N 0 0 349.394 2.167 40 0 EEABRN COCCn1c(C)cc2cc(NC(=O)CCN3CCOCC3)ccc21 ZINC000019126274 463013736 /nfs/dbraw/zinc/01/37/36/463013736.db2.gz DMJOJKMOSOBXDN-UHFFFAOYSA-N 0 0 345.443 2.257 40 0 EEABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1Cc1nc3ccccc3c(=O)n1C2 ZINC000019375955 463018067 /nfs/dbraw/zinc/01/80/67/463018067.db2.gz CRQLQFMOVAJFPC-LSDHHAIUSA-N 0 0 346.390 2.021 40 0 EEABRN Cc1nc(N(C)C)sc1CN1CCN(c2ncccc2F)CC1 ZINC000093687649 463044559 /nfs/dbraw/zinc/04/45/59/463044559.db2.gz VKSJJUYGGUPOLB-UHFFFAOYSA-N 0 0 335.452 2.374 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000068150679 463099118 /nfs/dbraw/zinc/09/91/18/463099118.db2.gz KODLRUIHHICYKS-QDEZUTFSSA-N 0 0 336.480 2.040 40 0 EEABRN COc1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1 ZINC000068370621 463127770 /nfs/dbraw/zinc/12/77/70/463127770.db2.gz RQRGSOQUOABLAF-UHFFFAOYSA-N 0 0 340.423 2.457 40 0 EEABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 ZINC000096039472 463143792 /nfs/dbraw/zinc/14/37/92/463143792.db2.gz KLTJCFZCIMNJMN-YJBOKZPZSA-N 0 0 334.416 2.138 40 0 EEABRN CN(C)C(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC000096040142 463145123 /nfs/dbraw/zinc/14/51/23/463145123.db2.gz LXFSTGCCVDJKHY-AEFFLSMTSA-N 0 0 333.432 2.151 40 0 EEABRN O=C(c1ccoc1)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042542 463147440 /nfs/dbraw/zinc/14/74/40/463147440.db2.gz FFVUKMFTJOJUBB-ZACQAIPSSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065714 463163912 /nfs/dbraw/zinc/16/39/12/463163912.db2.gz PBRXWAZSCWQIRO-ZOBUZTSGSA-N 0 0 328.368 2.263 40 0 EEABRN C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(Cc1nccs1)CC2 ZINC000096066610 463165058 /nfs/dbraw/zinc/16/50/58/463165058.db2.gz IYOUKPDHXRYROY-LLVKDONJSA-N 0 0 331.445 2.049 40 0 EEABRN O=C(NCCCC(=O)N1Cc2ccccc2C1)NCCc1ccco1 ZINC000078924499 463166581 /nfs/dbraw/zinc/16/65/81/463166581.db2.gz OKLGFHZITVNGGK-UHFFFAOYSA-N 0 0 341.411 2.444 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@]3(C[C@H](Nc4nccs4)CO3)C2)[nH]n1 ZINC000096073813 463166837 /nfs/dbraw/zinc/16/68/37/463166837.db2.gz UMQIQYLPIQVXRO-BLLLJJGKSA-N 0 0 347.444 2.050 40 0 EEABRN O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917063 463166988 /nfs/dbraw/zinc/16/69/88/463166988.db2.gz GOZVQHDIAWRTFU-SNVBAGLBSA-N 0 0 338.383 2.211 40 0 EEABRN CN(C(=O)c1n[nH]c2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078915037 463167166 /nfs/dbraw/zinc/16/71/66/463167166.db2.gz PRIVNHOQZOPWHG-MRXNPFEDSA-N 0 0 334.379 2.440 40 0 EEABRN Cc1ncc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000078926129 463167988 /nfs/dbraw/zinc/16/79/88/463167988.db2.gz AIQZNUGSOQYEMO-LLVKDONJSA-N 0 0 340.449 2.260 40 0 EEABRN O=C(CCCc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000078986926 463175107 /nfs/dbraw/zinc/17/51/07/463175107.db2.gz VAXKBSIJNDBPEN-ZDUSSCGKSA-N 0 0 328.334 2.289 40 0 EEABRN C[C@@H](Oc1ccccc1Br)C(=O)NCc1nccn1C ZINC000079001047 463177659 /nfs/dbraw/zinc/17/76/59/463177659.db2.gz FJVSKQAOBIVMRA-SNVBAGLBSA-N 0 0 338.205 2.266 40 0 EEABRN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000135580777 463178228 /nfs/dbraw/zinc/17/82/28/463178228.db2.gz DDLFUOHHPHVOHL-SKDRFNHKSA-N 0 0 334.235 2.046 40 0 EEABRN Cc1cc(CN2C[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)no1 ZINC000096110928 463179631 /nfs/dbraw/zinc/17/96/31/463179631.db2.gz SJIMINGWTSTWTA-WMLDXEAASA-N 0 0 348.472 2.081 40 0 EEABRN CCc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000096120907 463182527 /nfs/dbraw/zinc/18/25/27/463182527.db2.gz KAECDPGYLDWYLN-UHFFFAOYSA-N 0 0 340.427 2.114 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)ccn3)OCC(=O)N2C)cc1 ZINC000096181448 463194708 /nfs/dbraw/zinc/19/47/08/463194708.db2.gz RWXYVRIXEZWFLX-ROUUACIJSA-N 0 0 339.395 2.235 40 0 EEABRN Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccsc1)C2 ZINC000096198585 463204366 /nfs/dbraw/zinc/20/43/66/463204366.db2.gz QZUVJIWFVWOUGB-CYBMUJFWSA-N 0 0 332.429 2.043 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202218 463206826 /nfs/dbraw/zinc/20/68/26/463206826.db2.gz XLPAMHDOIBWFNL-QGZVFWFLSA-N 0 0 347.440 2.101 40 0 EEABRN Cc1cc(CN2CC[C@]3(C2)C[C@H](Nc2ncccn2)CCO3)no1 ZINC000096208510 463212706 /nfs/dbraw/zinc/21/27/06/463212706.db2.gz CQQJEBYEMGEHND-RHSMWYFYSA-N 0 0 329.404 2.009 40 0 EEABRN CCOCC(=O)N1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096209922 463214113 /nfs/dbraw/zinc/21/41/13/463214113.db2.gz JUEAWXBBOJNRLM-CRAIPNDOSA-N 0 0 333.432 2.070 40 0 EEABRN Cc1cnc(N2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000096219153 463216766 /nfs/dbraw/zinc/21/67/66/463216766.db2.gz NOZLWNYRFIWULU-GUYCJALGSA-N 0 0 329.379 2.169 40 0 EEABRN Cc1nnc(N2CCC[C@@]3(CN(Cc4ccc(F)cc4)CCO3)C2)o1 ZINC000096226681 463220552 /nfs/dbraw/zinc/22/05/52/463220552.db2.gz UKAROBVSYZVWBR-GOSISDBHSA-N 0 0 346.406 2.389 40 0 EEABRN O=C(N1CCCC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228208 463222251 /nfs/dbraw/zinc/22/22/51/463222251.db2.gz KJMLXBOSRLHAIQ-UHFFFAOYSA-N 0 0 342.443 2.254 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccno4)C3)CC2=O)cc1 ZINC000096238487 463223199 /nfs/dbraw/zinc/22/31/99/463223199.db2.gz ZXHMEIQNEXDDSV-SFHVURJKSA-N 0 0 325.368 2.252 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238806 463224360 /nfs/dbraw/zinc/22/43/60/463224360.db2.gz FWOKXNMMJAMMIE-LJQANCHMSA-N 0 0 341.386 2.433 40 0 EEABRN CS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc(F)c3)C2)C1 ZINC000096239558 463224868 /nfs/dbraw/zinc/22/48/68/463224868.db2.gz PMQJTTKHKJSFNG-AWEZNQCLSA-N 0 0 348.390 2.323 40 0 EEABRN Cc1ccc(C(=O)N2CCc3c(CN(C)C)nn(C)c3C2)cc1C ZINC000096255876 463228795 /nfs/dbraw/zinc/22/87/95/463228795.db2.gz TWVKGMWQCUBLDP-UHFFFAOYSA-N 0 0 326.444 2.297 40 0 EEABRN Cc1cncc(C(=O)N2CCc3ncnc(N4CCCC4)c3CC2)c1 ZINC000096255454 463229072 /nfs/dbraw/zinc/22/90/72/463229072.db2.gz PCTZBTNLYNWEII-UHFFFAOYSA-N 0 0 337.427 2.021 40 0 EEABRN O=C(CN1CCC[C@H](COc2ccccc2)C1)NCc1cccnc1 ZINC000096411344 463244057 /nfs/dbraw/zinc/24/40/57/463244057.db2.gz XZCCTHPPVQOXIQ-SFHVURJKSA-N 0 0 339.439 2.489 40 0 EEABRN CC(C)c1ocnc1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 ZINC000096412028 463244709 /nfs/dbraw/zinc/24/47/09/463244709.db2.gz SDGHQGJINXMRAD-UHFFFAOYSA-N 0 0 339.355 2.335 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)Cc1cccc(OC)c1 ZINC000096411808 463244938 /nfs/dbraw/zinc/24/49/38/463244938.db2.gz AZTLJBCCEPGSRY-UHFFFAOYSA-N 0 0 337.383 2.415 40 0 EEABRN CN1C[C@@H](NC(=O)Nc2ccc(F)c(-n3cccc3)c2)CCC1=O ZINC000096415999 463248359 /nfs/dbraw/zinc/24/83/59/463248359.db2.gz CZPABCVGCBONJD-ZDUSSCGKSA-N 0 0 330.363 2.359 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)Nc2ccccc2N2CCCC2)cn1 ZINC000096421832 463252832 /nfs/dbraw/zinc/25/28/32/463252832.db2.gz WDPPATCVBRIHMC-GOSISDBHSA-N 0 0 343.431 2.050 40 0 EEABRN CCc1ccc(CC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000096422374 463253694 /nfs/dbraw/zinc/25/36/94/463253694.db2.gz ADRVTBOYHFJUFD-AWEZNQCLSA-N 0 0 342.361 2.413 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000096422360 463253996 /nfs/dbraw/zinc/25/39/96/463253996.db2.gz UZAOXNXTFOGKFU-LLVKDONJSA-N 0 0 344.390 2.485 40 0 EEABRN O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423807 463254173 /nfs/dbraw/zinc/25/41/73/463254173.db2.gz JRAYMKIJVJNAKI-AWEZNQCLSA-N 0 0 345.830 2.287 40 0 EEABRN C[C@@H](CO)NC(=O)c1ccc(NCc2noc(C(C)(C)C)n2)cc1 ZINC000096427518 463256667 /nfs/dbraw/zinc/25/66/67/463256667.db2.gz HUYSOXFRJUFTOE-NSHDSACASA-N 0 0 332.404 2.090 40 0 EEABRN C[C@H](Nc1nccn(C)c1=O)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096429441 463259558 /nfs/dbraw/zinc/25/95/58/463259558.db2.gz RBDQFCPXGQEHGP-LBPRGKRZSA-N 0 0 346.406 2.054 40 0 EEABRN Cc1nc(C2CCCC2)sc1C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000096431206 463259769 /nfs/dbraw/zinc/25/97/69/463259769.db2.gz BYOWOCZBOFVVBP-SNVBAGLBSA-N 0 0 342.486 2.368 40 0 EEABRN CN(Cc1nnn(Cc2ccnc(Cl)c2)n1)C(=O)c1ccccc1 ZINC000096436643 463264999 /nfs/dbraw/zinc/26/49/99/463264999.db2.gz AUHPVEPKQHGLIS-UHFFFAOYSA-N 0 0 342.790 2.042 40 0 EEABRN O=C(NC[C@@H](O)C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000096436964 463265095 /nfs/dbraw/zinc/26/50/95/463265095.db2.gz TXYBUYFRTPLWDF-CYBMUJFWSA-N 0 0 346.196 2.106 40 0 EEABRN CC[C@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)CCS1 ZINC000096440366 463267607 /nfs/dbraw/zinc/26/76/07/463267607.db2.gz JPNJVFBQSWJZFP-OYHNWAKOSA-N 0 0 340.514 2.472 40 0 EEABRN O=C(CNC(=O)c1cscn1)N1CCC(Cc2ccccc2)CC1 ZINC000096445585 463270000 /nfs/dbraw/zinc/27/00/00/463270000.db2.gz IZRYATGGNUOVEF-UHFFFAOYSA-N 0 0 343.452 2.354 40 0 EEABRN Cn1cc(Br)cc1C(=O)N1CC(=O)N(C)c2ccccc21 ZINC000096450786 463272042 /nfs/dbraw/zinc/27/20/42/463272042.db2.gz HUSYOXRBNUCILA-UHFFFAOYSA-N 0 0 348.200 2.411 40 0 EEABRN COC(=O)N1CC[C@@H](NC(=O)c2c(F)cccc2Br)C1 ZINC000096454405 463274473 /nfs/dbraw/zinc/27/44/73/463274473.db2.gz SNZMAIRSLIEGDS-MRVPVSSYSA-N 0 0 345.168 2.159 40 0 EEABRN O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccncc1F ZINC000096455963 463275601 /nfs/dbraw/zinc/27/56/01/463275601.db2.gz GYPMQEMZIQICLB-QGZVFWFLSA-N 0 0 341.386 2.184 40 0 EEABRN Cc1cc(C)n(-c2ccc(COC(=O)c3ccc4nnnn4c3)cc2)n1 ZINC000096467369 463278344 /nfs/dbraw/zinc/27/83/44/463278344.db2.gz HVHOQFUYEKBOCE-UHFFFAOYSA-N 0 0 348.366 2.284 40 0 EEABRN O=C(NCC[C@@H]1CCCO1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000096494132 463288039 /nfs/dbraw/zinc/28/80/39/463288039.db2.gz GGKLJIAFXTVXPR-JTQLQIEISA-N 0 0 338.770 2.359 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1=O ZINC000080312366 463307007 /nfs/dbraw/zinc/30/70/07/463307007.db2.gz UIPNVLBFTFUZDC-MJGOQNOKSA-N 0 0 348.406 2.240 40 0 EEABRN Cc1cccc2c(O)c(C(=O)N3CC[C@H]4OCCC[C@H]4C3)cnc12 ZINC000097100872 463323458 /nfs/dbraw/zinc/32/34/58/463323458.db2.gz VBUHGNVPDUTTJY-XJKSGUPXSA-N 0 0 326.396 2.478 40 0 EEABRN CS(=O)(=O)c1ccc(-c2noc(C[C@H](O)c3ccccc3)n2)cc1 ZINC000097102149 463324272 /nfs/dbraw/zinc/32/42/72/463324272.db2.gz BLWMITDLHGTQJM-HNNXBMFYSA-N 0 0 344.392 2.416 40 0 EEABRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000081173392 463401735 /nfs/dbraw/zinc/40/17/35/463401735.db2.gz DXDREUAUTPGOTF-GJZGRUSLSA-N 0 0 348.447 2.168 40 0 EEABRN CC[C@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000033658922 463423883 /nfs/dbraw/zinc/42/38/83/463423883.db2.gz DUYVLWKPLHOROE-VIFPVBQESA-N 0 0 336.816 2.160 40 0 EEABRN CCOc1cc(/C=C2\c3ccccc3NC2=O)ccc1OCC(N)=O ZINC000033903336 463425722 /nfs/dbraw/zinc/42/57/22/463425722.db2.gz XASIHCIYKFWTPC-NTEUORMPSA-N 0 0 338.363 2.442 40 0 EEABRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CC1)C2=O ZINC000039544449 463451251 /nfs/dbraw/zinc/45/12/51/463451251.db2.gz SDGBWJNGVPEVIB-UHFFFAOYSA-N 0 0 335.448 2.182 40 0 EEABRN COCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccccc1OC ZINC000040372717 463454440 /nfs/dbraw/zinc/45/44/40/463454440.db2.gz QYTBHJPVPOIXRV-UHFFFAOYSA-N 0 0 342.355 2.041 40 0 EEABRN O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cccc(Cl)c1Cl ZINC000040386564 463454482 /nfs/dbraw/zinc/45/44/82/463454482.db2.gz VFIREQIJXCTGNJ-SSDOTTSWSA-N 0 0 340.170 2.182 40 0 EEABRN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000040166950 463454552 /nfs/dbraw/zinc/45/45/52/463454552.db2.gz XKWDNDYXGGAFIJ-JKSUJKDBSA-N 0 0 344.461 2.214 40 0 EEABRN O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000040466549 463455580 /nfs/dbraw/zinc/45/55/80/463455580.db2.gz CICMXNDVDVBYCE-CQSZACIVSA-N 0 0 341.758 2.462 40 0 EEABRN C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccncc1 ZINC000040464815 463455977 /nfs/dbraw/zinc/45/59/77/463455977.db2.gz PZSYDBKZOYYWHD-CYBMUJFWSA-N 0 0 327.384 2.404 40 0 EEABRN COc1cccc(CNC(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)c1 ZINC000040779192 463464212 /nfs/dbraw/zinc/46/42/12/463464212.db2.gz VEFXSVWOQUEALJ-IBGZPJMESA-N 0 0 340.379 2.410 40 0 EEABRN O=c1c2cnc(N3CCCCC3)[nH]c-2cn1-c1ccc2c(c1)OCO2 ZINC000041123079 463468336 /nfs/dbraw/zinc/46/83/36/463468336.db2.gz YIYINBUCXIRWDM-UHFFFAOYSA-N 0 0 338.367 2.356 40 0 EEABRN CCCCn1nc(C(=O)N[C@H]2CCOc3ccccc32)ccc1=O ZINC000044868701 463696792 /nfs/dbraw/zinc/69/67/92/463696792.db2.gz MYALZVLPFFSOHM-AWEZNQCLSA-N 0 0 327.384 2.297 40 0 EEABRN C[C@@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000044871484 463696927 /nfs/dbraw/zinc/69/69/27/463696927.db2.gz OHQJSBIAIICKMO-BETUJISGSA-N 0 0 333.457 2.064 40 0 EEABRN CC[C@@H](C(=O)Nc1ccn(C)n1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000044874712 463697736 /nfs/dbraw/zinc/69/77/36/463697736.db2.gz CAQLZANWHBZASS-LBPRGKRZSA-N 0 0 345.794 2.317 40 0 EEABRN O=C(c1ccc(N2CCCC2)cc1)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257265296 463758240 /nfs/dbraw/zinc/75/82/40/463758240.db2.gz LYBYOMVMUCUIPB-KRWDZBQOSA-N 0 0 326.400 2.224 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2n[nH]cc2C)c1C ZINC000257229372 463758720 /nfs/dbraw/zinc/75/87/20/463758720.db2.gz FXVYGSOYHMVEBM-ZDUSSCGKSA-N 0 0 337.449 2.159 40 0 EEABRN Cc1ncc(CNS(=O)(=O)c2ccccc2)c([C@H]2CCCN2C)n1 ZINC000257282663 463760133 /nfs/dbraw/zinc/76/01/33/463760133.db2.gz OURMFJSUTBPKNZ-MRXNPFEDSA-N 0 0 346.456 2.030 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 ZINC000257289758 463765048 /nfs/dbraw/zinc/76/50/48/463765048.db2.gz QABRQKOXKYRHBQ-CQSZACIVSA-N 0 0 348.410 2.357 40 0 EEABRN COc1cccc(CN2CCO[C@H](c3nc(CN(C)C)c[nH]3)C2)c1F ZINC000257299043 463767501 /nfs/dbraw/zinc/76/75/01/463767501.db2.gz ROLUONWWERXNDB-INIZCTEOSA-N 0 0 348.422 2.193 40 0 EEABRN Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)n1 ZINC000257299206 463768368 /nfs/dbraw/zinc/76/83/68/463768368.db2.gz RPCXDGLKHVOJOT-HNNXBMFYSA-N 0 0 327.384 2.238 40 0 EEABRN CCC(=O)N1CC[C@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257311407 463773756 /nfs/dbraw/zinc/77/37/56/463773756.db2.gz UJHJYXOHRUMWNQ-JTQLQIEISA-N 0 0 332.429 2.119 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3cscn3)CCN2C(C)=O)cc1 ZINC000257315850 463775645 /nfs/dbraw/zinc/77/56/45/463775645.db2.gz VCZVXDIOOXBORF-MRXNPFEDSA-N 0 0 345.424 2.197 40 0 EEABRN O=C([O-])COc1ccccc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257329119 463779780 /nfs/dbraw/zinc/77/97/80/463779780.db2.gz XIONRFUNWMRTAU-AWEZNQCLSA-N 0 0 329.400 2.328 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1C ZINC000257330830 463781234 /nfs/dbraw/zinc/78/12/34/463781234.db2.gz XQFPOYXXPHZPMJ-AEFFLSMTSA-N 0 0 330.428 2.200 40 0 EEABRN CC(C)Oc1ccc([C@H]2CN(C(=O)c3nccn3C)CCN2C)cc1 ZINC000257333723 463782284 /nfs/dbraw/zinc/78/22/84/463782284.db2.gz YCUDHMWLLODLFX-QGZVFWFLSA-N 0 0 342.443 2.336 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccc(C)s3)CCO2)n1 ZINC000257333369 463783108 /nfs/dbraw/zinc/78/31/08/463783108.db2.gz YBHFYMBWOWLWSM-INIZCTEOSA-N 0 0 346.456 2.056 40 0 EEABRN O=C(CCN1CCOCC1)N1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257338127 463784128 /nfs/dbraw/zinc/78/41/28/463784128.db2.gz YVZULJKDTSAWDI-DZFIZOCASA-N 0 0 344.455 2.025 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257336559 463784795 /nfs/dbraw/zinc/78/47/95/463784795.db2.gz YOYYTJNEVDJRSP-NSHDSACASA-N 0 0 349.822 2.462 40 0 EEABRN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(N(C)C)no2)c1 ZINC000185242574 463785724 /nfs/dbraw/zinc/78/57/24/463785724.db2.gz FSWMHJCEPRNNLS-AWEZNQCLSA-N 0 0 332.404 2.490 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257342357 463787253 /nfs/dbraw/zinc/78/72/53/463787253.db2.gz ZOGULZUNIDZJEM-HNNXBMFYSA-N 0 0 345.374 2.162 40 0 EEABRN CN([C@H](C(=O)NC1CCCCCC1)c1ccccc1)S(C)(=O)=O ZINC000260795902 463791487 /nfs/dbraw/zinc/79/14/87/463791487.db2.gz MSUIYBVBJCPGAU-INIZCTEOSA-N 0 0 338.473 2.458 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCC[C@H](C)C2)n1 ZINC000260743179 463791556 /nfs/dbraw/zinc/79/15/56/463791556.db2.gz ZJVYJJNMTDDLHG-LBPRGKRZSA-N 0 0 337.493 2.344 40 0 EEABRN CN(C)c1noc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000185273932 463792566 /nfs/dbraw/zinc/79/25/66/463792566.db2.gz ADKAYBNDZMCGBX-UHFFFAOYSA-N 0 0 347.394 2.125 40 0 EEABRN Cn1ncc(Cl)c1CNc1ccc(C(=O)N2CCOCC2)cc1 ZINC000195096557 463990298 /nfs/dbraw/zinc/99/02/98/463990298.db2.gz ZSKBHVJJJQVSEL-UHFFFAOYSA-N 0 0 334.807 2.158 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@](C)(O)Cc2ccccc2)C1 ZINC000195532393 464073629 /nfs/dbraw/zinc/07/36/29/464073629.db2.gz GSRDVYVZWDSVQB-HLIPFELVSA-N 0 0 346.471 2.180 40 0 EEABRN COC1CCC(Nc2cccc(CC(=O)N3CCN(C)CC3)c2)CC1 ZINC000195560446 464076376 /nfs/dbraw/zinc/07/63/76/464076376.db2.gz XAQWENZNRHXISC-UHFFFAOYSA-N 0 0 345.487 2.373 40 0 EEABRN CC(C)N(Cc1nnc(C2CC2)[nH]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000195560964 464077573 /nfs/dbraw/zinc/07/75/73/464077573.db2.gz UKKPOTZMYGEFGM-UHFFFAOYSA-N 0 0 338.415 2.329 40 0 EEABRN O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H](OCCO)C1 ZINC000195571549 464079017 /nfs/dbraw/zinc/07/90/17/464079017.db2.gz MFGDVJJKEXDNAA-BZUAXINKSA-N 0 0 338.835 2.379 40 0 EEABRN COc1cc2c(cc1OC)CN(CCNC(=O)C(F)(F)Cl)CC2 ZINC000195570587 464079241 /nfs/dbraw/zinc/07/92/41/464079241.db2.gz IDZOSDFSIQSZHW-UHFFFAOYSA-N 0 0 348.777 2.010 40 0 EEABRN COC[C@@H](C)S(=O)(=O)NC1CCN(c2cc(C)ccc2F)CC1 ZINC000195576917 464079916 /nfs/dbraw/zinc/07/99/16/464079916.db2.gz LNJBZADYHVLLRE-CYBMUJFWSA-N 0 0 344.452 2.057 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CCc2cccs2)o1 ZINC000195579377 464080652 /nfs/dbraw/zinc/08/06/52/464080652.db2.gz SALBGCQNOKDDJW-FQEVSTJZSA-N 0 0 347.483 2.083 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O ZINC000205688742 464097640 /nfs/dbraw/zinc/09/76/40/464097640.db2.gz ACWTULHSUNWFCF-KPKJPENVSA-N 0 0 337.353 2.000 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000223287941 464140412 /nfs/dbraw/zinc/14/04/12/464140412.db2.gz VJZUZFYLIPFVBK-DHZHZOJOSA-N 0 0 334.372 2.386 40 0 EEABRN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000224092521 464148729 /nfs/dbraw/zinc/14/87/29/464148729.db2.gz DDMJATOEBNOUDG-INIZCTEOSA-N 0 0 348.424 2.266 40 0 EEABRN Cc1ccc(C)c(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000224253940 464150282 /nfs/dbraw/zinc/15/02/82/464150282.db2.gz MKSCOYUCPAYXSE-UHFFFAOYSA-N 0 0 325.416 2.098 40 0 EEABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCOCC1 ZINC000224467086 464151479 /nfs/dbraw/zinc/15/14/79/464151479.db2.gz JXFASMMJOVLWST-INIZCTEOSA-N 0 0 346.471 2.171 40 0 EEABRN CCC(CC)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224837190 464153086 /nfs/dbraw/zinc/15/30/86/464153086.db2.gz SWPYTLMCYBMQLN-UHFFFAOYSA-N 0 0 336.457 2.453 40 0 EEABRN COc1cccc(O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000225266344 464156565 /nfs/dbraw/zinc/15/65/65/464156565.db2.gz PAKFPHCWEMPWLD-BBRMVZONSA-N 0 0 343.379 2.419 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000225437647 464159262 /nfs/dbraw/zinc/15/92/62/464159262.db2.gz ZXTGOKVXFBOHSE-MRXNPFEDSA-N 0 0 336.407 2.460 40 0 EEABRN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3CC=CCC3)cc2CC1 ZINC000225448516 464160953 /nfs/dbraw/zinc/16/09/53/464160953.db2.gz XVRBMSYWTFAATA-QGZVFWFLSA-N 0 0 348.468 2.021 40 0 EEABRN Fc1cccc(O[C@@H]2CCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000225485266 464164771 /nfs/dbraw/zinc/16/47/71/464164771.db2.gz AUHWQLFCUXOGFV-MRXNPFEDSA-N 0 0 344.390 2.110 40 0 EEABRN C[C@@H](Nc1cc(N2CCOCC2)ncn1)[C@@H]1COc2ccccc21 ZINC000225482872 464165013 /nfs/dbraw/zinc/16/50/13/464165013.db2.gz QTTYDJMOJCYHCF-HIFRSBDPSA-N 0 0 326.400 2.290 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000225505073 464166248 /nfs/dbraw/zinc/16/62/48/464166248.db2.gz VZLPRYCOMOXUMQ-GJZGRUSLSA-N 0 0 330.432 2.269 40 0 EEABRN O=C(NCc1ccncc1OCC(F)(F)F)N1CCSCC1 ZINC000225590958 464173601 /nfs/dbraw/zinc/17/36/01/464173601.db2.gz YKUFVEPVPLDIMW-UHFFFAOYSA-N 0 0 335.351 2.281 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@H](C)O1 ZINC000225591050 464173675 /nfs/dbraw/zinc/17/36/75/464173675.db2.gz KXKFNVVREAKTNL-PHIMTYICSA-N 0 0 347.337 2.342 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225826030 464181758 /nfs/dbraw/zinc/18/17/58/464181758.db2.gz GVCCXEKNSJXLNO-UHFFFAOYSA-N 0 0 349.452 2.325 40 0 EEABRN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1ccc2c(c1)OCO2 ZINC000180158115 464254699 /nfs/dbraw/zinc/25/46/99/464254699.db2.gz YADOZQFJMUMGFP-UHFFFAOYSA-N 0 0 343.364 2.402 40 0 EEABRN C[C@@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCc2ccccc21 ZINC000188377309 464266676 /nfs/dbraw/zinc/26/66/76/464266676.db2.gz MXUNIFIZUAGFHK-HNAYVOBHSA-N 0 0 339.439 2.376 40 0 EEABRN Cc1noc([C@@H]2COCCN2Cc2c[nH]c(-c3ccccc3)n2)n1 ZINC000188483773 464292794 /nfs/dbraw/zinc/29/27/94/464292794.db2.gz OXEGSTXQSWBBRV-HNNXBMFYSA-N 0 0 325.372 2.342 40 0 EEABRN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180568344 464338441 /nfs/dbraw/zinc/33/84/41/464338441.db2.gz ZWJUEVMPGIARKG-QMMMGPOBSA-N 0 0 327.262 2.450 40 0 EEABRN O=C(c1ncn(-c2ccccc2)n1)N1CCCCC[C@H]1c1ncon1 ZINC000189630084 464533597 /nfs/dbraw/zinc/53/35/97/464533597.db2.gz AVRCERXJUZBMJQ-AWEZNQCLSA-N 0 0 338.371 2.408 40 0 EEABRN O=C(C[C@H]1CN(C2CCCC2)Cc2ccnn21)NCc1cccnc1 ZINC000247847032 464709363 /nfs/dbraw/zinc/70/93/63/464709363.db2.gz HGVJZIQIXAKTQY-SFHVURJKSA-N 0 0 339.443 2.284 40 0 EEABRN Cc1ccc(N2CC3(C2)OCC[C@H]3CCOCc2cccnc2)nn1 ZINC000247896104 464713702 /nfs/dbraw/zinc/71/37/02/464713702.db2.gz HBXWOYLNYMIWQG-QGZVFWFLSA-N 0 0 340.427 2.382 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 ZINC000248098943 464728730 /nfs/dbraw/zinc/72/87/30/464728730.db2.gz DIRCSWVZBYABFU-OAHLLOKOSA-N 0 0 340.427 2.153 40 0 EEABRN COc1ccnc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c1OC ZINC000190865997 464735294 /nfs/dbraw/zinc/73/52/94/464735294.db2.gz ZBSFHGURWQIDOH-INIZCTEOSA-N 0 0 341.411 2.336 40 0 EEABRN O=C1NCCN1C1CCN(Cc2ccc(Br)o2)CC1 ZINC000191153345 464786180 /nfs/dbraw/zinc/78/61/80/464786180.db2.gz XDPVHKSNNCCHHV-UHFFFAOYSA-N 0 0 328.210 2.032 40 0 EEABRN O=C(CN1CCC[C@H](c2nc3ccccc3[nH]2)C1)NC[C@H]1CCCO1 ZINC000252486551 464962970 /nfs/dbraw/zinc/96/29/70/464962970.db2.gz LGYNHBGNMILSLI-LSDHHAIUSA-N 0 0 342.443 2.038 40 0 EEABRN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1C ZINC000252584604 464984145 /nfs/dbraw/zinc/98/41/45/464984145.db2.gz BLGRIDCVSTWMDE-WBAXXEDZSA-N 0 0 344.455 2.243 40 0 EEABRN CCOC1CC(CNc2nc3ccccc3n2C)(N2CCOCC2)C1 ZINC000253429933 465013352 /nfs/dbraw/zinc/01/33/52/465013352.db2.gz VDTGDUQEQWFPQN-UHFFFAOYSA-N 0 0 344.459 2.255 40 0 EEABRN COc1cccc2c1[C@@H](C(=O)N1CCCN(C(=O)C3CC3)CC1)CC2 ZINC000348831174 465825258 /nfs/dbraw/zinc/82/52/58/465825258.db2.gz YSWBYQNJEJEMAI-INIZCTEOSA-N 0 0 342.439 2.196 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCc2cc(F)ccc21)n1nnnc1C(C)(C)C ZINC000331690845 466200092 /nfs/dbraw/zinc/20/00/92/466200092.db2.gz XBAZYDRAQZXMTN-QMTHXVAHSA-N 0 0 331.395 2.474 40 0 EEABRN CCN1C[C@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143623 466493278 /nfs/dbraw/zinc/49/32/78/466493278.db2.gz YHAHWYYQMUUPTO-IEBWSBKVSA-N 0 0 329.444 2.396 40 0 EEABRN O=C(c1ccco1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F ZINC000408951871 466684400 /nfs/dbraw/zinc/68/44/00/466684400.db2.gz JFMKGEHDHCPKCZ-CYBMUJFWSA-N 0 0 325.246 2.176 40 0 EEABRN CCCN1C(=O)N/C(=C/c2cc(Br)ccc2O)C1=O ZINC000409238821 466687077 /nfs/dbraw/zinc/68/70/77/466687077.db2.gz LKFYIUBUOWGQCS-JXMROGBWSA-N 0 0 325.162 2.457 40 0 EEABRN COCCc1cc(NC(=O)NCCc2ccc3[nH]ccc3c2)n(C)n1 ZINC000390835248 467414933 /nfs/dbraw/zinc/41/49/33/467414933.db2.gz HSGPFGRDWKLEQY-UHFFFAOYSA-N 0 0 341.415 2.455 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(C)C)CO3)c1 ZINC000575403251 468140396 /nfs/dbraw/zinc/14/03/96/468140396.db2.gz GYESNWXQYACZFB-MRXNPFEDSA-N 0 0 344.455 2.388 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575605017 468145318 /nfs/dbraw/zinc/14/53/18/468145318.db2.gz KNYIUVISFHEYSG-GFCCVEGCSA-N 0 0 336.779 2.418 40 0 EEABRN Cc1c(CN2Cc3ccnn3CC[C@@H]2COCC2CC2)cnn1C ZINC000585097663 468965624 /nfs/dbraw/zinc/96/56/24/468965624.db2.gz PEBWXYJSSOBITA-GOSISDBHSA-N 0 0 329.448 2.126 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccc1Cl)C2 ZINC000585102688 468970020 /nfs/dbraw/zinc/97/00/20/468970020.db2.gz AYBAKEDFMQZDME-AWEZNQCLSA-N 0 0 343.876 2.366 40 0 EEABRN O=C(CC1CC1)NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21 ZINC000585112663 468975174 /nfs/dbraw/zinc/97/51/74/468975174.db2.gz UUZITHKKQDCIOW-KRWDZBQOSA-N 0 0 339.443 2.141 40 0 EEABRN CCc1nnc(NC(=O)NCc2cccc(C3(C)OCCO3)c2)s1 ZINC000585140046 468988615 /nfs/dbraw/zinc/98/86/15/468988615.db2.gz FLQQXLDUYSJGKB-UHFFFAOYSA-N 0 0 348.428 2.642 40 0 EEABRN CCC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc(C)n2C)C1 ZINC000585261125 468995892 /nfs/dbraw/zinc/99/58/92/468995892.db2.gz CWDBGDWNMBYBNR-CQSZACIVSA-N 0 0 327.432 2.377 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2ccncc2C)C1 ZINC000585275453 468998985 /nfs/dbraw/zinc/99/89/85/468998985.db2.gz CIUOXHZSSIPQII-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2ncccn2)C1 ZINC000585279200 469005146 /nfs/dbraw/zinc/00/51/46/469005146.db2.gz WZUZNXVZDNCGTQ-SFHVURJKSA-N 0 0 327.384 2.095 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](Cc3ccccc3C)[C@H](O)C2)cn1 ZINC000585279477 469006699 /nfs/dbraw/zinc/00/66/99/469006699.db2.gz MRRBRQHYTRRJIL-SJLPKXTDSA-N 0 0 340.423 2.464 40 0 EEABRN O=C(NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccc(=O)[nH]c1 ZINC000585283500 469008141 /nfs/dbraw/zinc/00/81/41/469008141.db2.gz BEJZIJLRHHFGED-MZMPZRCHSA-N 0 0 342.395 2.126 40 0 EEABRN C=CC(=O)N1CCC(Cc2cnc(Nc3ncccc3C)cn2)CC1 ZINC000585293066 469010666 /nfs/dbraw/zinc/01/06/66/469010666.db2.gz VUWDAYGLDLYPAR-UHFFFAOYSA-N 0 0 337.427 2.891 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000624149306 469856801 /nfs/dbraw/zinc/85/68/01/469856801.db2.gz BNSVHGMSVJBDSC-CQSZACIVSA-N 0 0 328.416 2.179 40 0 EEABRN CC[C@H](C)n1nc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1C ZINC000679188212 485609184 /nfs/dbraw/zinc/60/91/84/485609184.db2.gz WBTLOSFQOBJKOL-GUYCJALGSA-N 0 0 340.427 2.476 40 0 EEABRN CC(=O)N1CCC[C@@H](CNC(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000684423005 485878450 /nfs/dbraw/zinc/87/84/50/485878450.db2.gz PDGTWENQLNSHDH-HNNXBMFYSA-N 0 0 330.432 2.014 40 0 EEABRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000298355010 500943697 /nfs/dbraw/zinc/94/36/97/500943697.db2.gz OTIBQXUJFSILLJ-ACJLOTCBSA-N 0 0 339.395 2.411 40 0 EEABRN CC(C)CCc1noc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1 ZINC000245338746 519698703 /nfs/dbraw/zinc/69/87/03/519698703.db2.gz OHAAOJBCZMEXMR-ZIAGYGMSSA-N 0 0 343.493 2.446 40 0 EEABRN CC(=O)N1CCN(c2cccc(NC(=O)CC(F)(F)F)c2)CC1 ZINC000187127795 526634263 /nfs/dbraw/zinc/63/42/63/526634263.db2.gz QGDUUZIECJKMIQ-UHFFFAOYSA-N 0 0 329.322 2.246 40 0 EEABRN CCC[C@@H]1C[C@@H]1NC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000095408013 527820187 /nfs/dbraw/zinc/82/01/87/527820187.db2.gz MKMBCIGEKMZOLY-CABCVRRESA-N 0 0 346.475 2.384 40 0 EEABRN CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000408707720 528140083 /nfs/dbraw/zinc/14/00/83/528140083.db2.gz CVDNNQSRWYZEKI-UHFFFAOYSA-N 0 0 333.432 2.460 40 0 EEABRN CC(C)n1nccc1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257267288 535146720 /nfs/dbraw/zinc/14/67/20/535146720.db2.gz MGPZLWUZKQFFLE-QGZVFWFLSA-N 0 0 329.448 2.499 40 0 EEABRN CCc1nnsc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257264838 535868903 /nfs/dbraw/zinc/86/89/03/535868903.db2.gz LWEVBPXPZANMPB-INIZCTEOSA-N 0 0 347.444 2.236 40 0 EEABRN COC(=O)c1ccc(=O)n(CC(=O)c2cccc(Cl)c2Cl)n1 ZINC000225777357 536605963 /nfs/dbraw/zinc/60/59/63/536605963.db2.gz GJWHLUZNZVRUDS-UHFFFAOYSA-N 0 0 341.150 2.220 40 0 EEABRN CC(C)Oc1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)ccn1 ZINC000930992013 1206598049 /nfs/dbraw/zinc/59/80/49/1206598049.db2.gz WGKCBBMODSGKLS-HNNXBMFYSA-N 0 0 349.431 2.407 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)COc2ccccc2C)cc1 ZINC000095117165 1357763771 /nfs/dbraw/zinc/76/37/71/1357763771.db2.gz ANOUYPMVAJCATE-MRXNPFEDSA-N 0 0 349.452 2.364 40 0 EEABRN COc1ccccc1NC(=O)C[C@@H]([NH2+]CCc1ccccc1)C(=O)[O-] ZINC000004280029 210159975 /nfs/dbraw/zinc/15/99/75/210159975.db2.gz DAUIOXRHLBPOII-MRXNPFEDSA-N 0 0 342.395 2.309 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)ccc1C ZINC000223857386 539657925 /nfs/dbraw/zinc/65/79/25/539657925.db2.gz USWOUMIGPBGZPB-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN CCc1c(C)nc([C@H]2CCCN2C(=O)c2scnc2C)[nH]c1=O ZINC000019521587 202009656 /nfs/dbraw/zinc/00/96/56/202009656.db2.gz IXSHHLADYSMUOK-GFCCVEGCSA-N 0 0 332.429 2.383 40 0 EEABRN CCOc1ncc(C2(O)CCN(Cc3ccco3)CC2)c(OCC)n1 ZINC000019531751 202010227 /nfs/dbraw/zinc/01/02/27/202010227.db2.gz WRCOJGRNHVSCKI-UHFFFAOYSA-N 0 0 347.415 2.351 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019573588 202012891 /nfs/dbraw/zinc/01/28/91/202012891.db2.gz YCKQSUKCGLBPPQ-OAHLLOKOSA-N 0 0 331.441 2.260 40 0 EEABRN O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccnn1C1CCCC1 ZINC000019714119 202016596 /nfs/dbraw/zinc/01/65/96/202016596.db2.gz UIPMFMXQOMUSLX-MRXNPFEDSA-N 0 0 342.447 2.298 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000019747649 202017962 /nfs/dbraw/zinc/01/79/62/202017962.db2.gz DRAZIBRZRKPHFR-CQSZACIVSA-N 0 0 345.424 2.240 40 0 EEABRN Cc1nc(C2CCN(C(=O)CC3CCCC3)CC2)ncc1C(N)=O ZINC000019766622 202019130 /nfs/dbraw/zinc/01/91/30/202019130.db2.gz NLGUKKZYFQIZDP-UHFFFAOYSA-N 0 0 330.432 2.170 40 0 EEABRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 ZINC000019886458 202025033 /nfs/dbraw/zinc/02/50/33/202025033.db2.gz ZUBGYLIUQHLIKD-UHFFFAOYSA-N 0 0 348.424 2.387 40 0 EEABRN Cc1cc2nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc(C)c2cc1C ZINC000020673212 202052209 /nfs/dbraw/zinc/05/22/09/202052209.db2.gz CRFCBHMGDUZNRV-UHFFFAOYSA-N 0 0 339.399 2.225 40 0 EEABRN CCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000030757867 202198714 /nfs/dbraw/zinc/19/87/14/202198714.db2.gz ZYMSBLMEYAANOH-UHFFFAOYSA-N 0 0 349.408 2.335 40 0 EEABRN CO[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)c1ccccc1 ZINC000067941513 202202835 /nfs/dbraw/zinc/20/28/35/202202835.db2.gz YCMZFYHQIVSSHQ-GFCCVEGCSA-N 0 0 337.173 2.464 40 0 EEABRN O=C(Nc1cccc2nccn21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000240412913 295952272 /nfs/dbraw/zinc/95/22/72/295952272.db2.gz FORPVZWALSNYPU-OAHLLOKOSA-N 0 0 349.394 2.363 40 0 EEABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(N)=O)cc3C[C@@H]2C)cc1 ZINC000010326377 236898691 /nfs/dbraw/zinc/89/86/91/236898691.db2.gz GNHMDBXHNRGCSF-LBPRGKRZSA-N 0 0 330.409 2.234 40 0 EEABRN O=C(CC1(O)CCCCC1)NCCNc1ncnc2ccccc21 ZINC000073243323 202368034 /nfs/dbraw/zinc/36/80/34/202368034.db2.gz ZFGRSCALKWSYDQ-UHFFFAOYSA-N 0 0 328.416 2.243 40 0 EEABRN Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)n(C)n1 ZINC000072241819 202357874 /nfs/dbraw/zinc/35/78/74/202357874.db2.gz RNYQYSOKFMZGGL-YOEHRIQHSA-N 0 0 344.390 2.416 40 0 EEABRN C[C@](O)(CNC(=O)Nc1cnn(CC(F)F)c1)c1ccsc1 ZINC000072545008 202363900 /nfs/dbraw/zinc/36/39/00/202363900.db2.gz DYZNGYVUJMUHJL-ZDUSSCGKSA-N 0 0 330.360 2.239 40 0 EEABRN O=C(c1cc2ccccn2c1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000072528489 202363970 /nfs/dbraw/zinc/36/39/70/202363970.db2.gz ADYXGGLEWJQLIT-OAHLLOKOSA-N 0 0 325.393 2.314 40 0 EEABRN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000074220243 202373164 /nfs/dbraw/zinc/37/31/64/202373164.db2.gz NNGQNCUMDANCPI-HOCLYGCPSA-N 0 0 338.473 2.084 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)cc1F ZINC000077939842 202394407 /nfs/dbraw/zinc/39/44/07/202394407.db2.gz RGROYKTVZAUOIO-TVQRCGJNSA-N 0 0 328.771 2.085 40 0 EEABRN O=C(OCCCn1nc2ccccn2c1=O)c1nccc2ccccc21 ZINC000077877964 202395131 /nfs/dbraw/zinc/39/51/31/202395131.db2.gz RVMDHFZVECPKLP-UHFFFAOYSA-N 0 0 348.362 2.291 40 0 EEABRN O=C(CC1CCCC1)N1CCCN(C(=O)NCc2cccnc2)CC1 ZINC000078663086 202398945 /nfs/dbraw/zinc/39/89/45/202398945.db2.gz CFEHITRUPKSENV-UHFFFAOYSA-N 0 0 344.459 2.406 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)c1 ZINC000077183614 202385792 /nfs/dbraw/zinc/38/57/92/202385792.db2.gz ZMCVKVRFCJWLHK-OAHLLOKOSA-N 0 0 339.438 2.137 40 0 EEABRN Cc1ccn(-c2ccc(N3C[C@@H](O)C[C@@H]3C3CCCCC3)nn2)n1 ZINC000078260266 202389953 /nfs/dbraw/zinc/38/99/53/202389953.db2.gz FHWJUYHVOMQQRS-JKSUJKDBSA-N 0 0 327.432 2.491 40 0 EEABRN CCOCCNC(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000077720490 202392516 /nfs/dbraw/zinc/39/25/16/202392516.db2.gz ILRVUVUDURBDBK-UHFFFAOYSA-N 0 0 331.416 2.389 40 0 EEABRN C[S@](=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)cc1 ZINC000080522371 202468229 /nfs/dbraw/zinc/46/82/29/202468229.db2.gz MEFSPQNEPPBCLY-HSZRJFAPSA-N 0 0 326.381 2.257 40 0 EEABRN C[C@@]1(O)CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000190255856 238336313 /nfs/dbraw/zinc/33/63/13/238336313.db2.gz QQOFJJVHSWNWJG-MRXNPFEDSA-N 0 0 328.359 2.387 40 0 EEABRN O=C(Nc1cccc(Cl)c1-n1cccn1)N[C@@H]1CCCCNC1=O ZINC000194421303 201148347 /nfs/dbraw/zinc/14/83/47/201148347.db2.gz ROQPNXNJUGNDME-CYBMUJFWSA-N 0 0 347.806 2.316 40 0 EEABRN Cc1nnsc1C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000191481639 239136582 /nfs/dbraw/zinc/13/65/82/239136582.db2.gz YYQNALZWGJEJBN-ZDUSSCGKSA-N 0 0 331.376 2.239 40 0 EEABRN O=c1c2cnn(CCOc3ccccc3)c2ncn1Cc1ccccn1 ZINC000154642790 201396457 /nfs/dbraw/zinc/39/64/57/201396457.db2.gz QQAOSAXNNIXXTL-UHFFFAOYSA-N 0 0 347.378 2.115 40 0 EEABRN C[S@](=O)c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000155983431 201397251 /nfs/dbraw/zinc/39/72/51/201397251.db2.gz UTYADBBAGDDIPI-NPMXOYFQSA-N 0 0 332.425 2.149 40 0 EEABRN Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)sc2cccc(F)c12 ZINC000044873772 202530682 /nfs/dbraw/zinc/53/06/82/202530682.db2.gz PWWOYGTZHJIMQU-VIFPVBQESA-N 0 0 327.402 2.266 40 0 EEABRN Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)nn1-c1ccccc1 ZINC000086062281 202631014 /nfs/dbraw/zinc/63/10/14/202631014.db2.gz CWNIBJQZKZCRJD-AWEZNQCLSA-N 0 0 339.395 2.348 40 0 EEABRN O=S(=O)(c1cnn(CC(F)F)c1)N1CCSc2ccccc21 ZINC000195576954 241025523 /nfs/dbraw/zinc/02/55/23/241025523.db2.gz PUEUXEUBGUOJKT-UHFFFAOYSA-N 0 0 345.396 2.449 40 0 EEABRN CCC(=O)N1CC[C@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 ZINC000195579691 241026534 /nfs/dbraw/zinc/02/65/34/241026534.db2.gz FHAAJWGMTGDJFE-HNNXBMFYSA-N 0 0 335.835 2.419 40 0 EEABRN COC[C@@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605479 241334299 /nfs/dbraw/zinc/33/42/99/241334299.db2.gz WPOTWRTXDKCUDH-YESZJQIVSA-N 0 0 335.400 2.109 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1 ZINC000225410808 241850662 /nfs/dbraw/zinc/85/06/62/241850662.db2.gz BOLGCSMSJMAZJB-GFCCVEGCSA-N 0 0 348.424 2.094 40 0 EEABRN O=S(=O)(N[C@@H](c1cncc(Br)c1)C1CC1)C1CC1 ZINC000225453703 241872128 /nfs/dbraw/zinc/87/21/28/241872128.db2.gz RNJGCFSKJGJLGM-GFCCVEGCSA-N 0 0 331.235 2.377 40 0 EEABRN Cn1nnnc1CN1CCC(c2ccc(Br)cc2)CC1 ZINC000225725802 242005022 /nfs/dbraw/zinc/00/50/22/242005022.db2.gz DLYUHCAFZWPCNS-UHFFFAOYSA-N 0 0 336.237 2.352 40 0 EEABRN O=C(Cn1cc(COc2ccccc2F)nn1)Nc1ccccn1 ZINC000227168084 242126813 /nfs/dbraw/zinc/12/68/13/242126813.db2.gz ZEAFFVKHLMFJEN-UHFFFAOYSA-N 0 0 327.319 2.030 40 0 EEABRN CN(C)c1nc(CNC(=O)c2ccnc(OC3CCC3)c2)cs1 ZINC000090058646 202804803 /nfs/dbraw/zinc/80/48/03/202804803.db2.gz BCBPRRLDSARXBC-UHFFFAOYSA-N 0 0 332.429 2.465 40 0 EEABRN Cc1cccc(COCC[C@H]2CCOC23CN(c2ncccn2)C3)n1 ZINC000247872092 243469319 /nfs/dbraw/zinc/46/93/19/243469319.db2.gz LNOJOILDTQSEHJ-INIZCTEOSA-N 0 0 340.427 2.382 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@H](C)Cn2cccn2)c1 ZINC000252497244 243815007 /nfs/dbraw/zinc/81/50/07/243815007.db2.gz QCDZLWMZDKKIDQ-RDJZCZTQSA-N 0 0 330.432 2.169 40 0 EEABRN Cc1ccnc(OCC[C@@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000253477074 243998824 /nfs/dbraw/zinc/99/88/24/243998824.db2.gz CTDKHFSEUNVMBX-OAHLLOKOSA-N 0 0 341.415 2.030 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1sc(C)nc1C ZINC000257200292 244117593 /nfs/dbraw/zinc/11/75/93/244117593.db2.gz ACTSZQITWBPXHK-HNNXBMFYSA-N 0 0 345.468 2.484 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 ZINC000257200441 244117779 /nfs/dbraw/zinc/11/77/79/244117779.db2.gz ADINUMSYPKMGPC-AWEZNQCLSA-N 0 0 338.415 2.018 40 0 EEABRN CC(=O)NCc1c[nH]c([C@H]2CCN(C(=O)CCc3cccs3)C2)n1 ZINC000257207318 244140832 /nfs/dbraw/zinc/14/08/32/244140832.db2.gz BHEYDVPXWYYAAD-ZDUSSCGKSA-N 0 0 346.456 2.056 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)n1 ZINC000257222693 244191877 /nfs/dbraw/zinc/19/18/77/244191877.db2.gz DUJMUDRXHPPZSE-CQSZACIVSA-N 0 0 343.431 2.389 40 0 EEABRN O=C(CCOc1ccccc1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257229295 244207044 /nfs/dbraw/zinc/20/70/44/244207044.db2.gz FXNODRCGKMDTBN-GOSISDBHSA-N 0 0 341.411 2.106 40 0 EEABRN Cc1cncc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000072369419 203208884 /nfs/dbraw/zinc/20/88/84/203208884.db2.gz UAOIBQMAOVWOBZ-INIZCTEOSA-N 0 0 331.441 2.494 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000257242394 244249196 /nfs/dbraw/zinc/24/91/96/244249196.db2.gz ICGZACZKSVMHSI-AWEZNQCLSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@H]2CCN(c3ncccn3)C2)n1 ZINC000072382753 203210393 /nfs/dbraw/zinc/21/03/93/203210393.db2.gz FQRPJTGXXHQQMX-ZDUSSCGKSA-N 0 0 334.387 2.103 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccc(F)c(F)c1)CC2 ZINC000072347462 203203352 /nfs/dbraw/zinc/20/33/52/203203352.db2.gz UXQOFXGTZNIVQH-UHFFFAOYSA-N 0 0 346.381 2.207 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360273 203205391 /nfs/dbraw/zinc/20/53/91/203205391.db2.gz UTGOPRGEPRWSQE-AWEZNQCLSA-N 0 0 327.388 2.234 40 0 EEABRN Cc1ccccc1Oc1cncc([C@@H]2CCCN(CC(N)=O)C2)n1 ZINC000072361862 203205851 /nfs/dbraw/zinc/20/58/51/203205851.db2.gz GCMAWTVQRSZWCS-CQSZACIVSA-N 0 0 326.400 2.242 40 0 EEABRN C[C@@H](CCO)[NH+]1CCC(Cc2cc([N-]c3nncs3)ncn2)CC1 ZINC000072363689 203206827 /nfs/dbraw/zinc/20/68/27/203206827.db2.gz SKWUQPUWRLYRGW-LBPRGKRZSA-N 0 0 348.476 2.097 40 0 EEABRN Cc1cc(N2CC[C@H](Cc3cncc(-c4cncn4C)n3)C2)ncn1 ZINC000257241556 244244908 /nfs/dbraw/zinc/24/49/08/244244908.db2.gz HYMSJYVTHJPHNY-CQSZACIVSA-N 0 0 335.415 2.045 40 0 EEABRN Cc1nc(CCC(N)=O)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072367115 203207515 /nfs/dbraw/zinc/20/75/15/203207515.db2.gz FUHBISJDGKTLKU-QGZVFWFLSA-N 0 0 338.411 2.180 40 0 EEABRN O=C(c1cscn1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257258175 244287876 /nfs/dbraw/zinc/28/78/76/244287876.db2.gz KSRMURRUCFJZEM-KBXCAEBGSA-N 0 0 341.436 2.422 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)ccn1 ZINC000257260591 244348002 /nfs/dbraw/zinc/34/80/02/244348002.db2.gz LDMVVQDSYMLZBO-OAHLLOKOSA-N 0 0 327.432 2.412 40 0 EEABRN O=c1cc(CC[C@@H]2CN(CCc3ccc(F)cc3)CCO2)nc[nH]1 ZINC000257272742 244382700 /nfs/dbraw/zinc/38/27/00/244382700.db2.gz NDRBJXFMEJAWPD-QGZVFWFLSA-N 0 0 331.391 2.197 40 0 EEABRN CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)[nH]n1 ZINC000257309131 244485741 /nfs/dbraw/zinc/48/57/41/244485741.db2.gz TZRLECOYWYQZAF-NSHDSACASA-N 0 0 329.404 2.223 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)Cn3cnc4ccccc43)CCO2)ccn1 ZINC000257315222 244500605 /nfs/dbraw/zinc/50/06/05/244500605.db2.gz VAKSAKSHUAGUFX-SFHVURJKSA-N 0 0 336.395 2.340 40 0 EEABRN CCc1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)cn1 ZINC000130800762 203553038 /nfs/dbraw/zinc/55/30/38/203553038.db2.gz XMGZYYGRZUVCLF-HNNXBMFYSA-N 0 0 341.415 2.070 40 0 EEABRN O=C(c1ccncn1)N1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040324 203800405 /nfs/dbraw/zinc/80/04/05/203800405.db2.gz ZZKDEOKSXBYVEB-MJGOQNOKSA-N 0 0 345.443 2.305 40 0 EEABRN Cc1cc(C(=O)N2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)no1 ZINC000096106725 203836397 /nfs/dbraw/zinc/83/63/97/203836397.db2.gz WESFYGPJOWNPGR-OAHLLOKOSA-N 0 0 343.383 2.221 40 0 EEABRN O=C(c1ncccn1)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109266 203837305 /nfs/dbraw/zinc/83/73/05/203837305.db2.gz CJZIBWKDSLIKHS-APWZRJJASA-N 0 0 338.411 2.331 40 0 EEABRN CCOCc1cnc2n1CCN(C(=O)COc1ccccc1)[C@H]2C ZINC000096109677 203838007 /nfs/dbraw/zinc/83/80/07/203838007.db2.gz BTLFYXQKXOXHNE-AWEZNQCLSA-N 0 0 329.400 2.402 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)c(C)[nH]1 ZINC000096041228 203801306 /nfs/dbraw/zinc/80/13/06/203801306.db2.gz WWBITAQASJSDDH-NWANDNLSSA-N 0 0 330.388 2.110 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC000096046572 203806664 /nfs/dbraw/zinc/80/66/64/203806664.db2.gz GZQYRZRGMDWQKX-UHFFFAOYSA-N 0 0 339.395 2.443 40 0 EEABRN COc1cc(N2CCC[C@@]3(CCC(=O)N3CC3CC3)CC2)ncn1 ZINC000096217963 203871169 /nfs/dbraw/zinc/87/11/69/203871169.db2.gz FUROGMITQLQCGR-GOSISDBHSA-N 0 0 330.432 2.247 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccnnc4)C3)CC2=O)cc1 ZINC000096238485 203880351 /nfs/dbraw/zinc/88/03/51/203880351.db2.gz VCYMJQQMZIVAPZ-IBGZPJMESA-N 0 0 336.395 2.054 40 0 EEABRN CCOCc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2 ZINC000096259917 203885078 /nfs/dbraw/zinc/88/50/78/203885078.db2.gz RALLJBUZJQMWCI-UHFFFAOYSA-N 0 0 341.458 2.076 40 0 EEABRN Cc1cc(S(=O)(=O)n2ccnc2)ccc1I ZINC000096305745 203888695 /nfs/dbraw/zinc/88/86/95/203888695.db2.gz KYNAHXXNSSNUOQ-UHFFFAOYSA-N 0 0 348.165 2.033 40 0 EEABRN O=C(N[C@H]1CCn2nccc2C1)c1cc(Br)cs1 ZINC000253472935 284243547 /nfs/dbraw/zinc/24/35/47/284243547.db2.gz QRMCIXXHCHTGNH-VIFPVBQESA-N 0 0 326.219 2.452 40 0 EEABRN COc1ccccc1CCCN1CCN(C(=O)c2ccncc2)CC1 ZINC000041345628 204041491 /nfs/dbraw/zinc/04/14/91/204041491.db2.gz FHKBJUFGEKQVJA-UHFFFAOYSA-N 0 0 339.439 2.481 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000107711170 204245681 /nfs/dbraw/zinc/24/56/81/204245681.db2.gz CQMHYSBABCJYRD-SJORKVTESA-N 0 0 339.457 2.201 40 0 EEABRN CCN1CC2(CC1=O)CCN(S(=O)(=O)c1sccc1C)CC2 ZINC000108530527 204265313 /nfs/dbraw/zinc/26/53/13/204265313.db2.gz DNIWRPJMXBGYBT-UHFFFAOYSA-N 0 0 342.486 2.080 40 0 EEABRN CN(C)[C@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000079297891 217204867 /nfs/dbraw/zinc/20/48/67/217204867.db2.gz ATCGDRDNBTUESC-IBGZPJMESA-N 0 0 338.455 2.029 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@@H]1CCCCN1Cc1cccnc1 ZINC000096411710 284380953 /nfs/dbraw/zinc/38/09/53/284380953.db2.gz GSFCVURKQCYLTE-HNNXBMFYSA-N 0 0 336.399 2.118 40 0 EEABRN COC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000051904904 205587779 /nfs/dbraw/zinc/58/77/79/205587779.db2.gz ONRZBSHCWAVEAQ-LLVKDONJSA-N 0 0 344.333 2.025 40 0 EEABRN CCCn1c(C)nnc1CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000159275086 206235344 /nfs/dbraw/zinc/23/53/44/206235344.db2.gz VMXZZUZBEISXOV-HNNXBMFYSA-N 0 0 328.464 2.270 40 0 EEABRN O=C(c1cccc(F)c1F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000077897571 296252453 /nfs/dbraw/zinc/25/24/53/296252453.db2.gz KNRRLMNBTGNKQS-UHFFFAOYSA-N 0 0 332.232 2.231 40 0 EEABRN CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000007305478 206523723 /nfs/dbraw/zinc/52/37/23/206523723.db2.gz YKHLIEYQAJKTRE-UHFFFAOYSA-N 0 0 337.372 2.418 40 0 EEABRN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCOc2cccc(F)c21 ZINC000184903362 296271315 /nfs/dbraw/zinc/27/13/15/296271315.db2.gz LLLGBPWRTHUHRZ-CYBMUJFWSA-N 0 0 344.342 2.428 40 0 EEABRN COc1cc(-c2nc3ncc(C(C)=O)c(C)n3n2)cc(OC)c1OC ZINC000009926425 206545646 /nfs/dbraw/zinc/54/56/46/206545646.db2.gz PRLBCDNWJJHHFB-UHFFFAOYSA-N 0 0 342.355 2.328 40 0 EEABRN C[C@@H](OC1CCCCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095397187 218328957 /nfs/dbraw/zinc/32/89/57/218328957.db2.gz MIGQKTJVHQVLOR-GFCCVEGCSA-N 0 0 329.404 2.221 40 0 EEABRN CCOC(=O)c1cn(Cc2ncc(CC)o2)c2nc(C)ccc2c1=O ZINC000095403417 218338849 /nfs/dbraw/zinc/33/88/49/218338849.db2.gz VJZVXKZSZQEWRS-UHFFFAOYSA-N 0 0 341.367 2.480 40 0 EEABRN COC[C@](C)(CCO)NC(=O)Nc1cc(F)cc(Br)c1 ZINC000095411785 218349227 /nfs/dbraw/zinc/34/92/27/218349227.db2.gz NVDUZQDPUMYXDE-ZDUSSCGKSA-N 0 0 349.200 2.497 40 0 EEABRN CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000095440733 218385113 /nfs/dbraw/zinc/38/51/13/218385113.db2.gz MFPNTZNAVWEKLP-HNNXBMFYSA-N 0 0 347.806 2.260 40 0 EEABRN COc1cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)cc(OC)c1 ZINC000096120978 218612260 /nfs/dbraw/zinc/61/22/60/218612260.db2.gz ODRHSJQSPBEEIL-UHFFFAOYSA-N 0 0 345.403 2.190 40 0 EEABRN CC(=O)NCCCNC(=O)/C=C/c1csc(Br)c1 ZINC000096407480 218759047 /nfs/dbraw/zinc/75/90/47/218759047.db2.gz UOYZOWRUVPAAFA-ONEGZZNKSA-N 0 0 331.235 2.166 40 0 EEABRN COC[C@@H](O)CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000096410662 218765429 /nfs/dbraw/zinc/76/54/29/218765429.db2.gz FLFOJUKWKPXFPJ-QMMMGPOBSA-N 0 0 326.702 2.488 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000178902259 207549798 /nfs/dbraw/zinc/54/97/98/207549798.db2.gz NIBYPWOKHYWZMT-OAHLLOKOSA-N 0 0 345.378 2.287 40 0 EEABRN Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)[C@@H](C)[C@H]3C)c2n1 ZINC000096420857 218785724 /nfs/dbraw/zinc/78/57/24/218785724.db2.gz HOLDLECIQQGMGK-OLZOCXBDSA-N 0 0 332.425 2.191 40 0 EEABRN Nn1c(SCc2cccc(F)c2F)nnc1C1CCOCC1 ZINC000096430273 218803125 /nfs/dbraw/zinc/80/31/25/218803125.db2.gz OLPKRQWWBQUOCM-UHFFFAOYSA-N 0 0 326.372 2.456 40 0 EEABRN CC[C@H]1COCCN1C(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000096434509 218812096 /nfs/dbraw/zinc/81/20/96/218812096.db2.gz CCDUDNYOPKGPFM-ZDUSSCGKSA-N 0 0 330.388 2.117 40 0 EEABRN C[C@@](NC(=O)[C@H]1CC1(Cl)Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000096454838 218839526 /nfs/dbraw/zinc/83/95/26/218839526.db2.gz SRKJPEQYPDMJNV-SKDRFNHKSA-N 0 0 335.618 2.351 40 0 EEABRN Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)no1 ZINC000096481632 218857283 /nfs/dbraw/zinc/85/72/83/218857283.db2.gz PYXKKIKMFSKFDN-UHFFFAOYSA-N 0 0 328.328 2.213 40 0 EEABRN COCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000408718243 257891202 /nfs/dbraw/zinc/89/12/02/257891202.db2.gz FDCOPXPIHUMRRS-UHFFFAOYSA-N 0 0 325.579 2.348 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408592915 257895086 /nfs/dbraw/zinc/89/50/86/257895086.db2.gz PCDJWYDWCMMXHX-CYBMUJFWSA-N 0 0 342.461 2.009 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@](C)(CO)[C@]3(C)OC(C)(C)O[C@@]3(C)[C@]2(C)O1 ZINC000012359042 257859730 /nfs/dbraw/zinc/85/97/30/257859730.db2.gz CYMKALUCKAWBMD-ALYAQQCSSA-N 0 0 330.421 2.326 40 0 EEABRN COc1cccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000187072175 533447620 /nfs/dbraw/zinc/44/76/20/533447620.db2.gz ORTGSHPPKGQWCV-LBPRGKRZSA-N 0 0 339.395 2.395 40 0 EEABRN Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000244254107 160229996 /nfs/dbraw/zinc/22/99/96/160229996.db2.gz WITPNCPOSYVJAA-CQSZACIVSA-N 0 0 332.425 2.151 40 0 EEABRN Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c1 ZINC000123363763 222263017 /nfs/dbraw/zinc/26/30/17/222263017.db2.gz PEKVFCBHWHZTQC-UHFFFAOYSA-N 0 0 349.431 2.348 40 0 EEABRN Cc1noc(C(C)(C)NC(=O)Nc2cc([C@H]3CCCOC3)nn2C)n1 ZINC000285020813 274666521 /nfs/dbraw/zinc/66/65/21/274666521.db2.gz HMFJBEJHJMILSW-NSHDSACASA-N 0 0 348.407 2.062 40 0 EEABRN C[C@H]1CCCN(c2cc(C(=O)Nc3nnc4n3CCCC4)ccn2)C1 ZINC000291961913 275358361 /nfs/dbraw/zinc/35/83/61/275358361.db2.gz RLFYQPVVNLZHSN-ZDUSSCGKSA-N 0 0 340.431 2.498 40 0 EEABRN CC(=O)N[C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096079827 277055475 /nfs/dbraw/zinc/05/54/75/277055475.db2.gz ULECKBWYOGRPBY-INIZCTEOSA-N 0 0 338.411 2.476 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000096439912 279895046 /nfs/dbraw/zinc/89/50/46/279895046.db2.gz VJEZYVBASLBROR-ZWNOBZJWSA-N 0 0 332.853 2.091 40 0 EEABRN COC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052113 293297229 /nfs/dbraw/zinc/29/72/29/293297229.db2.gz YMEGOAVOQZMSHP-SQNIBIBYSA-N 0 0 331.437 2.279 40 0 EEABRN CON(C)C(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21Nc2ccccc2C(=O)N1 ZINC000072326497 293358528 /nfs/dbraw/zinc/35/85/28/293358528.db2.gz DHDDBOMHBRCFDC-BYNNNNKLSA-N 0 0 343.427 2.384 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(C(F)F)CC2)[C@]12CCCO2 ZINC000332846475 312061678 /nfs/dbraw/zinc/06/16/78/312061678.db2.gz HLFXIOKLJHCZHE-XJKCOSOUSA-N 0 0 332.391 2.400 40 0 EEABRN C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000333023524 312080210 /nfs/dbraw/zinc/08/02/10/312080210.db2.gz FVWOLHVCKXVLTE-OAGGEKHMSA-N 0 0 345.443 2.146 40 0 EEABRN CCc1cnc(CCNC(=O)N(C)C[C@H]2CCCC[C@H]2O)s1 ZINC000097234512 323321371 /nfs/dbraw/zinc/32/13/71/323321371.db2.gz UJXJTFJPYXOMBB-TZMCWYRMSA-N 0 0 325.478 2.441 40 0 EEABRN Nc1n[nH]c(SCc2cn(-c3ccc(F)c(Cl)c3)nn2)n1 ZINC000097370413 323322171 /nfs/dbraw/zinc/32/21/71/323322171.db2.gz JUANDHYMZUFXJL-UHFFFAOYSA-N 0 0 325.760 2.052 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000190024925 323466325 /nfs/dbraw/zinc/46/63/25/323466325.db2.gz WSFGRUIHAAMBKS-NSHDSACASA-N 0 0 344.864 2.231 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000195580357 323515325 /nfs/dbraw/zinc/51/53/25/323515325.db2.gz GWXNUAIEXMYIOC-UHFFFAOYSA-N 0 0 338.839 2.211 40 0 EEABRN Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)N2CCCC2=O)no1 ZINC000085467427 462549150 /nfs/dbraw/zinc/54/91/50/462549150.db2.gz PYEKXBKIXPSPNP-HNNXBMFYSA-N 0 0 345.374 2.086 40 0 EEABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCC[C@H]1O ZINC000086334083 462569746 /nfs/dbraw/zinc/56/97/46/462569746.db2.gz NKHCZXJFWARJIX-NOZJJQNGSA-N 0 0 345.226 2.000 40 0 EEABRN CCNc1nc(S[C@@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 ZINC000000804850 462573242 /nfs/dbraw/zinc/57/32/42/462573242.db2.gz IDQYDMZUGLSWKW-NSHDSACASA-N 0 0 346.460 2.489 40 0 EEABRN COC(OC)C(Br)(Br)Br ZINC000001700528 462585441 /nfs/dbraw/zinc/58/54/41/462585441.db2.gz BDGVSDWVIJEDLO-UHFFFAOYSA-N 0 0 326.810 2.444 40 0 EEABRN CSc1nnc(SCc2nn3c(nc(C)cc3=O)s2)s1 ZINC000001646720 462585590 /nfs/dbraw/zinc/58/55/90/462585590.db2.gz MVXKUMQDJOFOAN-UHFFFAOYSA-N 0 0 343.484 2.325 40 0 EEABRN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SC)n2C ZINC000004944536 462641295 /nfs/dbraw/zinc/64/12/95/462641295.db2.gz LCYGTYIQSVRSIJ-NSHDSACASA-N 0 0 345.424 2.375 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@H](C(C)C)O2 ZINC000004970827 462642609 /nfs/dbraw/zinc/64/26/09/462642609.db2.gz HBSAZEFOCSPEFF-KSSFIOAISA-N 0 0 346.427 2.040 40 0 EEABRN CCn1nc(C)c(NC(=O)Cn2ncc3c2c(C)nn3CC)c1C ZINC000046087250 462646192 /nfs/dbraw/zinc/64/61/92/462646192.db2.gz ITINORZMLTZGDQ-UHFFFAOYSA-N 0 0 329.408 2.033 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000005251212 462652692 /nfs/dbraw/zinc/65/26/92/462652692.db2.gz PJGHWDKTTJGXLC-UHFFFAOYSA-N 0 0 330.359 2.440 40 0 EEABRN O=C(COC(=O)c1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000005711243 462667810 /nfs/dbraw/zinc/66/78/10/462667810.db2.gz KSPPOOHVENOVKC-UHFFFAOYSA-N 0 0 342.370 2.331 40 0 EEABRN COC(=O)[C@@H]1[C@H](c2ccco2)N(Cc2ccccc2)O[C@@H]1C(=O)OC ZINC000005914691 462672277 /nfs/dbraw/zinc/67/22/77/462672277.db2.gz UCQXBVHHWBPBGT-PMPSAXMXSA-N 0 0 345.351 2.099 40 0 EEABRN COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 ZINC000006175289 462678108 /nfs/dbraw/zinc/67/81/08/462678108.db2.gz WZWKJGVUZDNYHJ-LBPRGKRZSA-N 0 0 334.397 2.001 40 0 EEABRN O=C(CN1CCCCC1=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089763648 462716127 /nfs/dbraw/zinc/71/61/27/462716127.db2.gz BPWXGJRMDBUWGB-HNNXBMFYSA-N 0 0 336.819 2.332 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000008498936 462785755 /nfs/dbraw/zinc/78/57/55/462785755.db2.gz MYBYOPCWNPEMJQ-SNVBAGLBSA-N 0 0 334.388 2.036 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2o1 ZINC000011175320 462827979 /nfs/dbraw/zinc/82/79/79/462827979.db2.gz MGTYBMVYICQGMK-UHFFFAOYSA-N 0 0 326.280 2.200 40 0 EEABRN CCc1nn(CC(=O)NC(C)C)c(=O)c2cc3sc(C)cc3n21 ZINC000012115399 462843117 /nfs/dbraw/zinc/84/31/17/462843117.db2.gz JIMGXBAWUIBKNH-UHFFFAOYSA-N 0 0 332.429 2.106 40 0 EEABRN O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1ccc(F)cc1 ZINC000012113218 462844284 /nfs/dbraw/zinc/84/42/84/462844284.db2.gz KROLFFUDILDOBS-UHFFFAOYSA-N 0 0 329.375 2.143 40 0 EEABRN COc1ccccc1C(=O)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000012365043 462851250 /nfs/dbraw/zinc/85/12/50/462851250.db2.gz UHGLLSGQBAQSIL-GFCCVEGCSA-N 0 0 337.383 2.381 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000091622508 462893421 /nfs/dbraw/zinc/89/34/21/462893421.db2.gz HHYGSIYDHQDUFG-IUODEOHRSA-N 0 0 330.436 2.406 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000133320386 462918930 /nfs/dbraw/zinc/91/89/30/462918930.db2.gz IKKYJOAGVLBQOK-LLVKDONJSA-N 0 0 334.235 2.167 40 0 EEABRN O=C(Cc1ccoc1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000133594088 462950146 /nfs/dbraw/zinc/95/01/46/462950146.db2.gz OKRMEBRDXWDKLC-UHFFFAOYSA-N 0 0 333.432 2.445 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@H]2CC(=O)N(C3CC3)CC[C@H]2C1 ZINC000015673010 462958216 /nfs/dbraw/zinc/95/82/16/462958216.db2.gz YXEDUSPUHSCRFW-HOTGVXAUSA-N 0 0 342.439 2.315 40 0 biogenic,in-vitro EEABRN COc1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)cc1 ZINC000016777893 462989784 /nfs/dbraw/zinc/98/97/84/462989784.db2.gz ZEURKFILTZZLNV-UHFFFAOYSA-N 0 0 329.385 2.174 40 0 EEABRN CCOC(=O)c1cc(C)nc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000017071251 462994491 /nfs/dbraw/zinc/99/44/91/462994491.db2.gz VIHVTJLDSQMGHL-UHFFFAOYSA-N 0 0 340.427 2.284 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(Cl)c1C ZINC000017070796 462994731 /nfs/dbraw/zinc/99/47/31/462994731.db2.gz LFQZVFAFMSWWAT-SNVBAGLBSA-N 0 0 336.775 2.170 40 0 EEABRN CCN1C(=O)N(CC(=O)N2CCCCCC2)c2cccnc2N1CC ZINC000019528329 463017689 /nfs/dbraw/zinc/01/76/89/463017689.db2.gz IJBMDWBUGMCVLY-UHFFFAOYSA-N 0 0 345.447 2.487 40 0 EEABRN CC(=O)N(C)Cc1cc(C2CCN(C(=O)C(C)(C)C)CC2)nn1C ZINC000019710218 463020182 /nfs/dbraw/zinc/02/01/82/463020182.db2.gz KHFVPPQJEMCIDN-UHFFFAOYSA-N 0 0 334.464 2.151 40 0 EEABRN COCCC(=O)N1CC[C@@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 ZINC000019704990 463021034 /nfs/dbraw/zinc/02/10/34/463021034.db2.gz KYDLIOLXYXKANY-GFCCVEGCSA-N 0 0 331.420 2.131 40 0 EEABRN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000095417009 463081157 /nfs/dbraw/zinc/08/11/57/463081157.db2.gz PRPBYDSCEYMSFT-GHMZBOCLSA-N 0 0 327.471 2.480 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000095436998 463084872 /nfs/dbraw/zinc/08/48/72/463084872.db2.gz ULAHCMOCNLTYAH-JXMYHYCOSA-N 0 0 346.537 2.409 40 0 EEABRN CC(C)Oc1cncc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000134901635 463093235 /nfs/dbraw/zinc/09/32/35/463093235.db2.gz OUTHOCWXZMVYPT-AWEZNQCLSA-N 0 0 330.388 2.142 40 0 EEABRN CCOc1cc([C@H](N)c2nc(-c3ccccn3)n[nH]2)ccc1OC ZINC000095534392 463107407 /nfs/dbraw/zinc/10/74/07/463107407.db2.gz OZPRUAJVEQRADT-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN COC(=O)[C@H](C)N(C(=O)c1cncc(Br)c1)C1CC1 ZINC000078710185 463143099 /nfs/dbraw/zinc/14/30/99/463143099.db2.gz BHUVAZLLZJHZMN-QMMMGPOBSA-N 0 0 327.178 2.010 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC000096041868 463145993 /nfs/dbraw/zinc/14/59/93/463145993.db2.gz KAAMODADFPCJGD-LZLYRXPVSA-N 0 0 339.395 2.236 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1 ZINC000096044591 463148573 /nfs/dbraw/zinc/14/85/73/463148573.db2.gz DWGTXKRIFFVJRH-CQSZACIVSA-N 0 0 328.416 2.018 40 0 EEABRN CCn1cc2c(n1)CN(c1cc(OC)ncn1)C[C@H]2COCC1CC1 ZINC000096045233 463149213 /nfs/dbraw/zinc/14/92/13/463149213.db2.gz KFKPCASPCCMXSC-AWEZNQCLSA-N 0 0 343.431 2.232 40 0 EEABRN CCn1cc2c(n1)CN(c1cc(OC)ncn1)C[C@@H]2COCC1CC1 ZINC000096045232 463149521 /nfs/dbraw/zinc/14/95/21/463149521.db2.gz KFKPCASPCCMXSC-CQSZACIVSA-N 0 0 343.431 2.232 40 0 EEABRN CCOC[C@@H]1CN(Cc2cc(C)on2)Cc2nnn(CC3CC3)c21 ZINC000096045626 463150077 /nfs/dbraw/zinc/15/00/77/463150077.db2.gz PQKFRPXONZAQHH-AWEZNQCLSA-N 0 0 331.420 2.120 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000078879555 463158206 /nfs/dbraw/zinc/15/82/06/463158206.db2.gz CBBNKJLVJCDMHW-CYBMUJFWSA-N 0 0 348.399 2.197 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072455 463166906 /nfs/dbraw/zinc/16/69/06/463166906.db2.gz GRMMOZAKZCIDSK-MAUKXSAKSA-N 0 0 343.383 2.139 40 0 EEABRN Cc1ncsc1C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000078918195 463166923 /nfs/dbraw/zinc/16/69/23/463166923.db2.gz YZWYBKDEBHRKAY-INIZCTEOSA-N 0 0 345.468 2.125 40 0 EEABRN Cn1ccnc1CN1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074725 463167011 /nfs/dbraw/zinc/16/70/11/463167011.db2.gz ZIWJJDSRZGIDTJ-LJQANCHMSA-N 0 0 344.434 2.431 40 0 EEABRN Fc1ccc(CN2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074833 463167458 /nfs/dbraw/zinc/16/74/58/463167458.db2.gz FAFFUSQRIUEEEE-IBGZPJMESA-N 0 0 342.418 2.487 40 0 EEABRN CO[C@]1(CNC(=O)C2(c3ccccc3)CCOCC2)CCSC1 ZINC000096097619 463171635 /nfs/dbraw/zinc/17/16/35/463171635.db2.gz XAGJPQZZDBNGTL-KRWDZBQOSA-N 0 0 335.469 2.373 40 0 EEABRN CCOC(=O)C1CCN(C(=O)c2cc(C(C)C)nc(N(C)C)n2)CC1 ZINC000096101172 463172727 /nfs/dbraw/zinc/17/27/27/463172727.db2.gz XDYUZBZQAJEFOX-UHFFFAOYSA-N 0 0 348.447 2.081 40 0 EEABRN Cn1cnnc1CCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000079001201 463177365 /nfs/dbraw/zinc/17/73/65/463177365.db2.gz NDGMHFVINQYHIE-UHFFFAOYSA-N 0 0 345.790 2.025 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)o1 ZINC000096108784 463177436 /nfs/dbraw/zinc/17/74/36/463177436.db2.gz QPMCXBXLMONOQX-VQIMIIECSA-N 0 0 349.427 2.120 40 0 EEABRN O=C(c1cccc(F)c1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159524 463190437 /nfs/dbraw/zinc/19/04/37/463190437.db2.gz BSKVOKORMPERBI-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161329 463192555 /nfs/dbraw/zinc/19/25/55/463192555.db2.gz FWJGCASCXWNFFV-KRWDZBQOSA-N 0 0 335.407 2.218 40 0 EEABRN O=C(N[C@@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1)c1ccco1 ZINC000096196591 463202139 /nfs/dbraw/zinc/20/21/39/463202139.db2.gz NLXUYFUFFKCNTM-MRXNPFEDSA-N 0 0 349.390 2.172 40 0 EEABRN Cc1cccc(C(=O)N2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)n1 ZINC000096198296 463204437 /nfs/dbraw/zinc/20/44/37/463204437.db2.gz ITNGJPYWZOJTAU-MRXNPFEDSA-N 0 0 340.427 2.290 40 0 EEABRN Cc1nonc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000079359825 463208062 /nfs/dbraw/zinc/20/80/62/463208062.db2.gz IKCVJCMMDIWBMM-AAEUAGOBSA-N 0 0 334.763 2.190 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CN(Cc3ccccc3)C2=O)CC1 ZINC000096202911 463208679 /nfs/dbraw/zinc/20/86/79/463208679.db2.gz YCKZXZHLHQYLFY-UHFFFAOYSA-N 0 0 342.439 2.064 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H]3OC[C@H](Cc4nnc(C)o4)[C@H]3C2)s1 ZINC000096216437 463214684 /nfs/dbraw/zinc/21/46/84/463214684.db2.gz LSBUZBBCPFVXLL-YNEHKIRRSA-N 0 0 333.413 2.078 40 0 EEABRN O=C(c1ccccc1)N1CC[C@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000096219989 463217302 /nfs/dbraw/zinc/21/73/02/463217302.db2.gz LELGVVFWWMXTDK-QFBILLFUSA-N 0 0 328.412 2.073 40 0 EEABRN O=C(C1CCC1)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 ZINC000096220025 463217950 /nfs/dbraw/zinc/21/79/50/463217950.db2.gz OWLYUIXXBYDPDV-OAHLLOKOSA-N 0 0 342.399 2.382 40 0 EEABRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096226978 463222029 /nfs/dbraw/zinc/22/20/29/463222029.db2.gz BUIBMUGNELLGGA-XLIONFOSSA-N 0 0 335.407 2.250 40 0 EEABRN O=C(c1ccccn1)N1CCC2(C=C[C@@H](N3CCOCC3)CC2)CC1 ZINC000096240277 463224216 /nfs/dbraw/zinc/22/42/16/463224216.db2.gz URGNTJJIKKLWSZ-QGZVFWFLSA-N 0 0 341.455 2.355 40 0 EEABRN COC(=O)c1sc2ccccc2c1CNC(=O)c1cnn(C)c1 ZINC000096403844 463238063 /nfs/dbraw/zinc/23/80/63/463238063.db2.gz IGSOUTFKYLFNLZ-UHFFFAOYSA-N 0 0 329.381 2.351 40 0 EEABRN C[C@@H](OCC1CC1)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000096406386 463240725 /nfs/dbraw/zinc/24/07/25/463240725.db2.gz IGACYICXMXLLQD-IAQYHMDHSA-N 0 0 326.387 2.499 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)[C@@H]3Cc4ccccc4O3)CC2)n1 ZINC000096408204 463241222 /nfs/dbraw/zinc/24/12/22/463241222.db2.gz INFUVDOIHHIGTJ-SFHVURJKSA-N 0 0 337.423 2.479 40 0 EEABRN Cc1nc(C2(NC(=O)Nc3cnc4c(c3)c(C)nn4C)CCC2)no1 ZINC000096407946 463241632 /nfs/dbraw/zinc/24/16/32/463241632.db2.gz DYTUCKCUJJTQLP-UHFFFAOYSA-N 0 0 341.375 2.169 40 0 EEABRN C[S@@](=O)CCNC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000096408778 463241713 /nfs/dbraw/zinc/24/17/13/463241713.db2.gz BVLGDDBNIIBHPF-BLVKFPJESA-N 0 0 345.262 2.114 40 0 EEABRN Cc1cnn(CCC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)c1 ZINC000096409684 463242157 /nfs/dbraw/zinc/24/21/57/463242157.db2.gz VTRKMRUGTMSOEF-AWEZNQCLSA-N 0 0 339.342 2.033 40 0 EEABRN Cc1cc(C(=O)Nc2n[nH]cc2C(=O)NCc2ccc(C)cc2)on1 ZINC000096411653 463243641 /nfs/dbraw/zinc/24/36/41/463243641.db2.gz DVKUVVRUJZHQHP-UHFFFAOYSA-N 0 0 339.355 2.197 40 0 EEABRN CN(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)ccn1 ZINC000096412465 463244575 /nfs/dbraw/zinc/24/45/75/463244575.db2.gz FOXOQQMHFLMXRS-UHFFFAOYSA-N 0 0 337.427 2.397 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(Br)c1 ZINC000096412813 463245065 /nfs/dbraw/zinc/24/50/65/463245065.db2.gz QIZKRCPCPSNZLX-UWVGGRQHSA-N 0 0 346.246 2.097 40 0 EEABRN CSC[C@@](C)(O)CNC(=O)c1ccc(F)cc1Br ZINC000096414686 463246931 /nfs/dbraw/zinc/24/69/31/463246931.db2.gz DIRRWBMYEHGNJC-LBPRGKRZSA-N 0 0 336.226 2.432 40 0 EEABRN C[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)n1nnc(-c2ccccc2)n1 ZINC000079788874 463250068 /nfs/dbraw/zinc/25/00/68/463250068.db2.gz SUFYVBSEUYEEBZ-GFCCVEGCSA-N 0 0 339.403 2.491 40 0 EEABRN CC(C)c1nc(C(=O)Nc2nc(CN3CCOCC3)cs2)c[nH]1 ZINC000096421653 463252853 /nfs/dbraw/zinc/25/28/53/463252853.db2.gz HMOZLXXPCAYMFR-UHFFFAOYSA-N 0 0 335.433 2.074 40 0 EEABRN COCCOCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423039 463253701 /nfs/dbraw/zinc/25/37/01/463253701.db2.gz GYCZQMWPVWDQSW-ZDUSSCGKSA-N 0 0 326.824 2.088 40 0 EEABRN O=C(NCCCCn1ccnc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096426515 463256131 /nfs/dbraw/zinc/25/61/31/463256131.db2.gz ZWIYOKRVUCYAGV-HZPDHXFCSA-N 0 0 341.411 2.354 40 0 EEABRN O=C1CCN(S(=O)(=O)c2cccs2)c2ccc(F)cc2N1 ZINC000096428690 463258082 /nfs/dbraw/zinc/25/80/82/463258082.db2.gz SQHMHKDMXLSBHS-UHFFFAOYSA-N 0 0 326.374 2.425 40 0 EEABRN C[C@@H]1C(=O)N(Cc2nnc(C3CC3)o2)C(=O)N1c1ccc(F)cc1 ZINC000096428821 463259224 /nfs/dbraw/zinc/25/92/24/463259224.db2.gz XCBKJDXEMFRCNI-SECBINFHSA-N 0 0 330.319 2.443 40 0 EEABRN NC(=O)[C@H](NCc1cccnc1)c1ccc(Br)cc1F ZINC000096436808 463264383 /nfs/dbraw/zinc/26/43/83/463264383.db2.gz FYEHGOSCLBSCII-CYBMUJFWSA-N 0 0 338.180 2.299 40 0 EEABRN C[C@@](O)(CNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccsc1 ZINC000096450377 463271987 /nfs/dbraw/zinc/27/19/87/463271987.db2.gz YUOQCAZTDLUODX-NVXWUHKLSA-N 0 0 330.409 2.265 40 0 EEABRN O=S(=O)(CCCF)NCCc1ccc(F)c(Br)c1 ZINC000096456113 463275572 /nfs/dbraw/zinc/27/55/72/463275572.db2.gz POSOCDQYJAXWCE-UHFFFAOYSA-N 0 0 342.205 2.410 40 0 EEABRN CCc1ccc(S(=O)(=O)N[C@H](C)c2nnc3ccccn32)s1 ZINC000096459134 463276182 /nfs/dbraw/zinc/27/61/82/463276182.db2.gz UHYWEWVCOPWSHC-SNVBAGLBSA-N 0 0 336.442 2.393 40 0 EEABRN CC1(C)CN=C(N2CCN(C(=O)c3ccncc3Cl)CC2)S1 ZINC000096461157 463276802 /nfs/dbraw/zinc/27/68/02/463276802.db2.gz GPVDBJHMCQYBJD-UHFFFAOYSA-N 0 0 338.864 2.374 40 0 EEABRN Cc1cc(NCc2ccc([S@@](C)=O)cc2)ccc1-n1cnnn1 ZINC000096482783 463281510 /nfs/dbraw/zinc/28/15/10/463281510.db2.gz MCGUJZIIJNEUNE-QHCPKHFHSA-N 0 0 327.413 2.320 40 0 EEABRN Cc1nc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 ZINC000096490499 463287124 /nfs/dbraw/zinc/28/71/24/463287124.db2.gz XIFIBECQCJJPIT-JSGCOSHPSA-N 0 0 336.779 2.361 40 0 EEABRN C[C@@H](NCc1nnnn1-c1ccccc1)c1cccc(-n2cncn2)c1 ZINC000096492327 463288100 /nfs/dbraw/zinc/28/81/00/463288100.db2.gz KYMYCMWKBYLEFO-CQSZACIVSA-N 0 0 346.398 2.094 40 0 EEABRN O=C([N-][C@H]1C[N@H+](CCCO)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496450 463289381 /nfs/dbraw/zinc/28/93/81/463289381.db2.gz PKMCUJUNGFRVHB-KBPBESRZSA-N 0 0 348.340 2.045 40 0 EEABRN CCOc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cn1 ZINC000096500806 463291538 /nfs/dbraw/zinc/29/15/38/463291538.db2.gz ZKBUFXJKIIXFGT-UHFFFAOYSA-N 0 0 338.351 2.443 40 0 EEABRN C[C@H]1CCCCN1C(=O)CN1CCN(CCc2ccccc2F)CC1 ZINC000137564029 463297643 /nfs/dbraw/zinc/29/76/43/463297643.db2.gz YUEVSNPWJIAXBH-KRWDZBQOSA-N 0 0 347.478 2.387 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1=O ZINC000080312355 463307158 /nfs/dbraw/zinc/30/71/58/463307158.db2.gz UIPNVLBFTFUZDC-HKUYNNGSSA-N 0 0 348.406 2.240 40 0 EEABRN COc1ccc(CN2CCN(c3ncccn3)CC2)c(Cl)c1OC ZINC000097230496 463351004 /nfs/dbraw/zinc/35/10/04/463351004.db2.gz RLGBLIJHLSWRMJ-UHFFFAOYSA-N 0 0 348.834 2.469 40 0 EEABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000032585868 463381380 /nfs/dbraw/zinc/38/13/80/463381380.db2.gz AMWZSNJUCXKLEQ-UHFFFAOYSA-N 0 0 334.397 2.293 40 0 EEABRN Cc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033750830 463423365 /nfs/dbraw/zinc/42/33/65/463423365.db2.gz PEWXSRJYAOXTEG-UHFFFAOYSA-N 0 0 338.816 2.329 40 0 EEABRN CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000033629123 463423834 /nfs/dbraw/zinc/42/38/34/463423834.db2.gz GVSGFCNEOLTYAX-CYBMUJFWSA-N 0 0 326.462 2.222 40 0 EEABRN Cn1nc(C(=O)NCc2cccnc2)cc1NC(=O)c1cccs1 ZINC000040745934 463464050 /nfs/dbraw/zinc/46/40/50/463464050.db2.gz OJKQMRQVBREPGA-UHFFFAOYSA-N 0 0 341.396 2.059 40 0 EEABRN COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC000072224690 463484496 /nfs/dbraw/zinc/48/44/96/463484496.db2.gz OFCZXCFGVWIJLG-UHFFFAOYSA-N 0 0 335.404 2.234 40 0 EEABRN CCOC(=O)[C@H](C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327510 463509879 /nfs/dbraw/zinc/50/98/79/463509879.db2.gz QDEKUHMSPGWBFV-DJJJIMSYSA-N 0 0 345.395 2.355 40 0 EEABRN CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCSc2ccccc21 ZINC000058151894 463544146 /nfs/dbraw/zinc/54/41/46/463544146.db2.gz ARLKYGMPRIWMAD-NWDGAFQWSA-N 0 0 339.486 2.130 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@H](c3nccnc3N(C)C)C2)s1 ZINC000257228062 463756313 /nfs/dbraw/zinc/75/63/13/463756313.db2.gz FSDHGUXNVONTMA-AWEZNQCLSA-N 0 0 346.456 2.055 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)c(C)n2)cc1 ZINC000257173155 463756399 /nfs/dbraw/zinc/75/63/99/463756399.db2.gz DZOMDSZDCVMAPS-UHFFFAOYSA-N 0 0 339.439 2.427 40 0 EEABRN O=C(c1cc(F)ccc1F)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257280661 463759410 /nfs/dbraw/zinc/75/94/10/463759410.db2.gz OLVDHCCKDRFOCT-HZPDHXFCSA-N 0 0 337.297 2.368 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@@H](c3nccc(C)n3)C2)cc1 ZINC000257295222 463765885 /nfs/dbraw/zinc/76/58/85/463765885.db2.gz QXMNJFGRWOMZRL-MRXNPFEDSA-N 0 0 327.384 2.145 40 0 EEABRN CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(F)c1 ZINC000257298469 463767591 /nfs/dbraw/zinc/76/75/91/463767591.db2.gz RLTQEWAGAVDLIE-SFHVURJKSA-N 0 0 328.391 2.195 40 0 EEABRN Cc1ccnc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257303626 463770426 /nfs/dbraw/zinc/77/04/26/463770426.db2.gz SHZHOVJAWPXICG-INIZCTEOSA-N 0 0 327.384 2.154 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3ccncc3)CCN2C(C)=O)cc1 ZINC000257309549 463771709 /nfs/dbraw/zinc/77/17/09/463771709.db2.gz UBJCZKRJDMMMKK-SFHVURJKSA-N 0 0 339.395 2.136 40 0 EEABRN CC(C)c1nnsc1C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257312533 463773852 /nfs/dbraw/zinc/77/38/52/463773852.db2.gz UOKFEXQLEFOVRA-UMVBOHGHSA-N 0 0 347.440 2.362 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC(c3ccn4nccc4n3)CC2)n1 ZINC000257325173 463777817 /nfs/dbraw/zinc/77/78/17/463777817.db2.gz WRTZATJJEBLAQQ-UHFFFAOYSA-N 0 0 338.415 2.031 40 0 EEABRN C[C@]12CCCN(C(=O)COc3ccc(F)cc3)[C@H]1CCCC(=O)N2 ZINC000257331347 463781318 /nfs/dbraw/zinc/78/13/18/463781318.db2.gz XSLZDGVYXSXIGX-YJBOKZPZSA-N 0 0 334.391 2.254 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257338047 463784370 /nfs/dbraw/zinc/78/43/70/463784370.db2.gz YVONVCKABLRQLO-IEBWSBKVSA-N 0 0 326.396 2.435 40 0 EEABRN CN([C@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(C)(=O)=O ZINC000260762136 463791494 /nfs/dbraw/zinc/79/14/94/463791494.db2.gz GQNKSJGGHONJNN-HNNXBMFYSA-N 0 0 336.388 2.397 40 0 EEABRN Cc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1C ZINC000260900048 463793663 /nfs/dbraw/zinc/79/36/63/463793663.db2.gz RYMPRVKSGFGRNC-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1noc(C)c1CC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000171393675 463856165 /nfs/dbraw/zinc/85/61/65/463856165.db2.gz QIFZYUOLLPZSNA-OAHLLOKOSA-N 0 0 342.317 2.400 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)c3ccc4nccn4c3)CC2)n1 ZINC000172248258 464029634 /nfs/dbraw/zinc/02/96/34/464029634.db2.gz CMXXNKAQEYATAV-UHFFFAOYSA-N 0 0 335.411 2.437 40 0 EEABRN Cc1cc(CN2CCC(N(C)C(=O)[C@@H](O)c3ccccc3)CC2)on1 ZINC000195547522 464074302 /nfs/dbraw/zinc/07/43/02/464074302.db2.gz XJXWMHDWCDXTSK-SFHVURJKSA-N 0 0 343.427 2.139 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(Cl)cc1Br ZINC000195547493 464074841 /nfs/dbraw/zinc/07/48/41/464074841.db2.gz PYRGKMYGWQQYSL-SCZZXKLOSA-N 0 0 348.624 2.324 40 0 EEABRN C[C@H]1OCC[C@H]1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000195559598 464075950 /nfs/dbraw/zinc/07/59/50/464075950.db2.gz LBFVENBGHWQFSK-BXUZGUMPSA-N 0 0 333.363 2.350 40 0 EEABRN CO[C@H](C(=O)N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000195556695 464076172 /nfs/dbraw/zinc/07/61/72/464076172.db2.gz GIOYGLGATWBIDT-IRXDYDNUSA-N 0 0 326.396 2.320 40 0 EEABRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3(O)CCC3)ccc21 ZINC000195567300 464079096 /nfs/dbraw/zinc/07/90/96/464079096.db2.gz GOIYJPRTRSKHPR-UHFFFAOYSA-N 0 0 343.427 2.363 40 0 EEABRN CCOC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218618755 464109162 /nfs/dbraw/zinc/10/91/62/464109162.db2.gz RYJHHJVKVKUJRY-SQNIBIBYSA-N 0 0 349.427 2.499 40 0 EEABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222903963 464134431 /nfs/dbraw/zinc/13/44/31/464134431.db2.gz UWWNQNVXFNONIK-BBRMVZONSA-N 0 0 336.407 2.248 40 0 EEABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)[nH]1 ZINC000223605178 464145074 /nfs/dbraw/zinc/14/50/74/464145074.db2.gz IJDKGQSMBZUOOF-JKSUJKDBSA-N 0 0 330.457 2.381 40 0 EEABRN CN(C)c1ncc(NC(=O)Cc2ccc(Cl)cc2)c(N(C)C)n1 ZINC000224350023 464151700 /nfs/dbraw/zinc/15/17/00/464151700.db2.gz RIKIJEFQVSBGMB-UHFFFAOYSA-N 0 0 333.823 2.443 40 0 EEABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000225193194 464154340 /nfs/dbraw/zinc/15/43/40/464154340.db2.gz GJKLBTYCFMPCSO-STQMWFEESA-N 0 0 342.461 2.010 40 0 EEABRN COc1ccc(CCNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cc1OC ZINC000225517302 464167892 /nfs/dbraw/zinc/16/78/92/464167892.db2.gz LIYPRXCUTSRKNK-AWEZNQCLSA-N 0 0 343.427 2.199 40 0 EEABRN COc1ccc(NC(=O)NC[C@H]2CCCO2)cc1N1CCCC1=O ZINC000225550335 464170852 /nfs/dbraw/zinc/17/08/52/464170852.db2.gz NGOZTTXXDUBBSG-CYBMUJFWSA-N 0 0 333.388 2.123 40 0 EEABRN COC(=O)[C@@H](Sc1nnc(-c2cnccn2)n1C)c1ccsc1 ZINC000225572239 464172216 /nfs/dbraw/zinc/17/22/16/464172216.db2.gz RUNWDQGTGLHYSZ-NSHDSACASA-N 0 0 347.425 2.340 40 0 EEABRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccn[nH]1 ZINC000225604280 464175292 /nfs/dbraw/zinc/17/52/92/464175292.db2.gz OKYDZVMUWPEXFJ-NSHDSACASA-N 0 0 339.182 2.252 40 0 EEABRN COc1cccc(C2CCN(S(=O)(=O)C[C@@H](C)OC)CC2)c1F ZINC000225676532 464179017 /nfs/dbraw/zinc/17/90/17/464179017.db2.gz FCZCFWXLEFKXLY-GFCCVEGCSA-N 0 0 345.436 2.378 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000225671977 464179502 /nfs/dbraw/zinc/17/95/02/464179502.db2.gz WNTSKMLYILVOBP-RNCFNFMXSA-N 0 0 348.262 2.391 40 0 EEABRN COc1cc(CN2CCNC(=O)[C@@H]2c2ccccc2F)ccc1O ZINC000225670400 464179697 /nfs/dbraw/zinc/17/96/97/464179697.db2.gz MSUWRMAUVPNGAD-KRWDZBQOSA-N 0 0 330.359 2.213 40 0 EEABRN CC[C@@H](C)c1ccc(S(=O)(=O)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000280144742 464191711 /nfs/dbraw/zinc/19/17/11/464191711.db2.gz FLAUACFNGSABKN-GFCCVEGCSA-N 0 0 345.486 2.056 40 0 EEABRN CCn1cc([C@@H]2CN(C(=O)N[C@H](C)c3cccc(O)c3)CCO2)cn1 ZINC000188879125 464386362 /nfs/dbraw/zinc/38/63/62/464386362.db2.gz HNEBYARPMAAEPC-DYVFJYSZSA-N 0 0 344.415 2.453 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CCc3cncn3C)CCO2)ccc1F ZINC000189369273 464486835 /nfs/dbraw/zinc/48/68/35/464486835.db2.gz BBQBZKLEXXUKII-KRWDZBQOSA-N 0 0 331.391 2.400 40 0 EEABRN CCN1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569759 464496117 /nfs/dbraw/zinc/49/61/17/464496117.db2.gz AULKNMMGDAKYIW-GXTWGEPZSA-N 0 0 337.786 2.163 40 0 EEABRN Cn1cncc1CN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000182577075 464685714 /nfs/dbraw/zinc/68/57/14/464685714.db2.gz YDKBXMBJWWTRDN-CQSZACIVSA-N 0 0 338.333 2.112 40 0 EEABRN Fc1ccc(CN2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cc1 ZINC000247518849 464688864 /nfs/dbraw/zinc/68/88/64/464688864.db2.gz KTWLCLQODIDAHZ-MRXNPFEDSA-N 0 0 329.375 2.428 40 0 EEABRN COc1cc(S(=O)(=O)NCCc2sc(C)nc2C)ccc1F ZINC000190634612 464693281 /nfs/dbraw/zinc/69/32/81/464693281.db2.gz SCLUKIATFYBRRW-UHFFFAOYSA-N 0 0 344.433 2.429 40 0 EEABRN Cc1cccc(COC[C@@H]2CN(C3CCOCC3)Cc3ccnn32)n1 ZINC000247850365 464709550 /nfs/dbraw/zinc/70/95/50/464709550.db2.gz AEYREUQENOSJIN-IBGZPJMESA-N 0 0 342.443 2.339 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 ZINC000247924635 464715388 /nfs/dbraw/zinc/71/53/88/464715388.db2.gz OWMVOAYOWAVIRL-MRXNPFEDSA-N 0 0 339.395 2.095 40 0 EEABRN Cc1ccc(CN2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)s1 ZINC000248008972 464722674 /nfs/dbraw/zinc/72/26/74/464722674.db2.gz OXBQZFFTSJJOIH-CYBMUJFWSA-N 0 0 332.473 2.461 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](OCc2ccncc2)CCO3)n(C)n1 ZINC000248061850 464727271 /nfs/dbraw/zinc/72/72/71/464727271.db2.gz VAAOTVORSIZFGA-GOSISDBHSA-N 0 0 342.443 2.074 40 0 EEABRN Cc1ccsc1CN1Cc2ncn(C)c2[C@H](C(=O)NCC2CC2)C1 ZINC000248068491 464727652 /nfs/dbraw/zinc/72/76/52/464727652.db2.gz WSGYIJBMYPUJPA-CQSZACIVSA-N 0 0 344.484 2.416 40 0 EEABRN CN(C[C@@H](O)C(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000248397339 464747820 /nfs/dbraw/zinc/74/78/20/464747820.db2.gz RKVSULCWSKOVPY-GHMZBOCLSA-N 0 0 342.155 2.338 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000248762307 464798563 /nfs/dbraw/zinc/79/85/63/464798563.db2.gz QWXVIXLOIVNCJR-KCQAQPDRSA-N 0 0 330.432 2.027 40 0 EEABRN Fc1ccc2c(c1)OCCN2Cc1cn(Cc2cccnc2)nn1 ZINC000191967724 464837637 /nfs/dbraw/zinc/83/76/37/464837637.db2.gz ZDWCFZBZIWPMIA-UHFFFAOYSA-N 0 0 325.347 2.260 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000184004900 464936089 /nfs/dbraw/zinc/93/60/89/464936089.db2.gz XREFKZZEZHNSPC-IINYFYTJSA-N 0 0 344.333 2.130 40 0 EEABRN CCc1nnc(NC(=O)c2cnn(-c3ccccc3OC)c2C)[nH]1 ZINC000192532559 464943600 /nfs/dbraw/zinc/94/36/00/464943600.db2.gz LZUMDMWELLWTFU-UHFFFAOYSA-N 0 0 326.360 2.122 40 0 EEABRN CC(=O)c1ccc(N(C)Cc2ccccc2F)c(S(N)(=O)=O)c1 ZINC000252507618 464973898 /nfs/dbraw/zinc/97/38/98/464973898.db2.gz WPRDSWQOJZDNEY-UHFFFAOYSA-N 0 0 336.388 2.312 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCOCC3)CCO2)n1 ZINC000252505419 464973904 /nfs/dbraw/zinc/97/39/04/464973904.db2.gz VRIJEHYRNMMANW-QWHCGFSZSA-N 0 0 325.434 2.104 40 0 EEABRN CCOCC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn21 ZINC000253383259 464996295 /nfs/dbraw/zinc/99/62/95/464996295.db2.gz KYDHWGFTHFHERW-CQSZACIVSA-N 0 0 330.388 2.372 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000253398604 465001849 /nfs/dbraw/zinc/00/18/49/465001849.db2.gz XMNMAHLWEBNLTD-MRXNPFEDSA-N 0 0 332.448 2.106 40 0 EEABRN CCc1ccccc1S(=O)(=O)NC1CCN(CC(F)F)CC1 ZINC000192835473 465007042 /nfs/dbraw/zinc/00/70/42/465007042.db2.gz WWEKHNGXEJOEPY-UHFFFAOYSA-N 0 0 332.416 2.257 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](N(C)c3nc(C)ns3)C2=O)c1 ZINC000253423076 465009115 /nfs/dbraw/zinc/00/91/15/465009115.db2.gz HYICKBAPDAPTGY-CQSZACIVSA-N 0 0 348.428 2.105 40 0 EEABRN COc1ccc([C@@H]2CCCN2C(=O)Cn2ccsc2=O)c(OC)c1 ZINC000253428518 465012486 /nfs/dbraw/zinc/01/24/86/465012486.db2.gz LEDOZELHCQGPRB-AWEZNQCLSA-N 0 0 348.424 2.291 40 0 EEABRN O=C1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000299124299 465613531 /nfs/dbraw/zinc/61/35/31/465613531.db2.gz ISMNCUCHJYHOMW-UHFFFAOYSA-N 0 0 325.283 2.198 40 0 EEABRN CCC(=O)N1C[C@@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306127170 466490128 /nfs/dbraw/zinc/49/01/28/466490128.db2.gz FQMOJXFOTDLISE-CABCVRRESA-N 0 0 344.440 2.071 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408545784 466680368 /nfs/dbraw/zinc/68/03/68/466680368.db2.gz OGIDITWYHXUTEL-KGLIPLIRSA-N 0 0 326.462 2.454 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)NCC(C)C)ccc1OC ZINC000408588066 466682305 /nfs/dbraw/zinc/68/23/05/466682305.db2.gz WXEQSJNYUGHRAG-UHFFFAOYSA-N 0 0 330.406 2.198 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C)cc1 ZINC000409198866 466686973 /nfs/dbraw/zinc/68/69/73/466686973.db2.gz GBQQUBOBOQQTSZ-UHFFFAOYSA-N 0 0 326.462 2.221 40 0 EEABRN CC[C@H](C(=O)NCCn1cnc(C2CC2)cc1=O)c1ccccc1 ZINC000390828019 467412348 /nfs/dbraw/zinc/41/23/48/467412348.db2.gz NLYQAAJBJQUUCI-INIZCTEOSA-N 0 0 325.412 2.431 40 0 EEABRN O=C(Cn1nc2ccccn2c1=O)NCc1csc2ccccc12 ZINC000390835670 467414888 /nfs/dbraw/zinc/41/48/88/467414888.db2.gz USGZZODETQJSGL-UHFFFAOYSA-N 0 0 338.392 2.027 40 0 EEABRN Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000408342186 467546050 /nfs/dbraw/zinc/54/60/50/467546050.db2.gz JQXORIIXOVUUMG-CHWSQXEVSA-N 0 0 331.441 2.162 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@H](OCc1cncc(C)c1)CCO2 ZINC000575404376 468141993 /nfs/dbraw/zinc/14/19/93/468141993.db2.gz LUYBUQFBGOVPDX-OAHLLOKOSA-N 0 0 336.457 2.030 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094570 468963686 /nfs/dbraw/zinc/96/36/86/468963686.db2.gz BWRYHHNFPKYVDS-OAHLLOKOSA-N 0 0 336.395 2.182 40 0 EEABRN COC[C@@H]1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1 ZINC000585096684 468964666 /nfs/dbraw/zinc/96/46/66/468964666.db2.gz AFXHZNCVBJEPMV-HNNXBMFYSA-N 0 0 349.818 2.363 40 0 EEABRN Cc1cnc(OCCc2cnc3n2CCN(CC2CC2)[C@H]3C)nc1 ZINC000585097744 468965293 /nfs/dbraw/zinc/96/52/93/468965293.db2.gz NSKQFVVOORPCSU-AWEZNQCLSA-N 0 0 327.432 2.390 40 0 EEABRN CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccoc1)C2 ZINC000585102836 468970497 /nfs/dbraw/zinc/97/04/97/468970497.db2.gz KALOXTMFQWDFMA-OAHLLOKOSA-N 0 0 341.411 2.290 40 0 EEABRN Cc1ccc(CN2CC3(C2)CC[C@@H](CNC(=O)N2CCCC2)CO3)o1 ZINC000585105284 468972212 /nfs/dbraw/zinc/97/22/12/468972212.db2.gz SFTMOAASBPEIJA-INIZCTEOSA-N 0 0 347.459 2.374 40 0 EEABRN Cc1nc(CN2C[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@@H]3C2)cs1 ZINC000585107572 468972288 /nfs/dbraw/zinc/97/22/88/468972288.db2.gz FEFSUJGETAGSEI-KBPBESRZSA-N 0 0 346.431 2.190 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113001 468976373 /nfs/dbraw/zinc/97/63/73/468976373.db2.gz ZRPUVPPUXRWZBO-CQSZACIVSA-N 0 0 330.457 2.418 40 0 EEABRN CCN(c1cccc(F)c1)S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000585141668 468991357 /nfs/dbraw/zinc/99/13/57/468991357.db2.gz YXIGXUOSRRDIEN-INIZCTEOSA-N 0 0 345.436 2.423 40 0 EEABRN CC(C)(C)n1nnc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000585141915 468991641 /nfs/dbraw/zinc/99/16/41/468991641.db2.gz IJBDFQXDEWMPCO-ZIAGYGMSSA-N 0 0 329.404 2.078 40 0 EEABRN CCOC(=O)c1cnc(N[C@H]2CCO[C@H](c3cnn(C)c3)C2)nc1C ZINC000585141718 468991706 /nfs/dbraw/zinc/99/17/06/468991706.db2.gz FKZWEUAAYSNYTE-ZFWWWQNUSA-N 0 0 345.403 2.027 40 0 EEABRN CC(C)(C)n1nnc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000585141913 468992108 /nfs/dbraw/zinc/99/21/08/468992108.db2.gz IJBDFQXDEWMPCO-KGLIPLIRSA-N 0 0 329.404 2.078 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1Cc1ccccc1 ZINC000585269336 468997200 /nfs/dbraw/zinc/99/72/00/468997200.db2.gz POYVXMPIGOKHRX-OALUTQOASA-N 0 0 344.455 2.151 40 0 EEABRN OC[C@@]1(Cc2ccccc2F)CN(Cc2ccc(F)cn2)CCO1 ZINC000585277164 469001503 /nfs/dbraw/zinc/00/15/03/469001503.db2.gz KRPKXISTYJIUNZ-GOSISDBHSA-N 0 0 334.366 2.166 40 0 EEABRN CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc2oc(C)cc2c1 ZINC000585277100 469001920 /nfs/dbraw/zinc/00/19/20/469001920.db2.gz FUDSNZPYSPUWSQ-IBGZPJMESA-N 0 0 344.411 2.499 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCN(C(=O)c3ccnc(C)c3)C2)cc1 ZINC000585277212 469002183 /nfs/dbraw/zinc/00/21/83/469002183.db2.gz NGKSYOVIHXQPRK-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)NCc1cccc(Cl)c1 ZINC000585280321 469007425 /nfs/dbraw/zinc/00/74/25/469007425.db2.gz FIUFPBREZHPFMX-GDBMZVCRSA-N 0 0 338.835 2.230 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3cncnc3)[C@H]2O)cc1 ZINC000585285430 469007514 /nfs/dbraw/zinc/00/75/14/469007514.db2.gz PEHMSDSMDCTNTG-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585289433 469012255 /nfs/dbraw/zinc/01/22/55/469012255.db2.gz QUUJLWPGWQELIA-HXUWFJFHSA-N 0 0 327.424 2.459 40 0 EEABRN COC(=O)[C@@H](NC(=O)Cc1c(C)n[nH]c1C)c1cc(C)cc(C)c1 ZINC000189809951 534272073 /nfs/dbraw/zinc/27/20/73/534272073.db2.gz CWPYMLYXXCLZEQ-KRWDZBQOSA-N 0 0 329.400 2.216 40 0 EEABRN CC(C)CCNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000039543355 517413965 /nfs/dbraw/zinc/41/39/65/517413965.db2.gz ORSLQSMXOLHGJE-UGSOOPFHSA-N 0 0 337.464 2.286 40 0 EEABRN CCCn1c(=O)[nH]nc1SCc1csc(N(C)C2CC2)n1 ZINC000096475467 521615044 /nfs/dbraw/zinc/61/50/44/521615044.db2.gz IYSKAFFRXJVOCI-UHFFFAOYSA-N 0 0 325.463 2.329 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)ccn1 ZINC000257214268 534683718 /nfs/dbraw/zinc/68/37/18/534683718.db2.gz CLIMFFHEAFTLQT-HNNXBMFYSA-N 0 0 341.415 2.102 40 0 EEABRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC[C@H]1CCCO1 ZINC000189178331 534791677 /nfs/dbraw/zinc/79/16/77/534791677.db2.gz PNISYISJJOPHPV-CJNGLKHVSA-N 0 0 327.384 2.200 40 0 EEABRN O=C(COc1ccc(Cl)cc1Cl)N1CC[C@H](n2nccn2)C1 ZINC000244986166 526954331 /nfs/dbraw/zinc/95/43/31/526954331.db2.gz JIVXENLEGXWXMZ-NSHDSACASA-N 0 0 341.198 2.437 40 0 EEABRN CCC[C@H](C)NC(=O)c1ccc(OCC)c(S(=O)(=O)NCC)c1 ZINC000408700574 528065605 /nfs/dbraw/zinc/06/56/05/528065605.db2.gz ICDZBBIENRMTPH-LBPRGKRZSA-N 0 0 342.461 2.302 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941217 529369066 /nfs/dbraw/zinc/36/90/66/529369066.db2.gz QOWSKHBOJBRDGK-MNOVXSKESA-N 0 0 332.853 2.409 40 0 EEABRN CCOc1cc(C)nc(N2CCN(c3ccc(C(C)=O)cn3)CC2)n1 ZINC000181052578 535670836 /nfs/dbraw/zinc/67/08/36/535670836.db2.gz FSSXLNKSGKWPRN-UHFFFAOYSA-N 0 0 341.415 2.108 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000257280430 536421520 /nfs/dbraw/zinc/42/15/20/536421520.db2.gz OKUZEEKKBQNJBP-ZDUSSCGKSA-N 0 0 344.419 2.321 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1 ZINC000257263818 536421743 /nfs/dbraw/zinc/42/17/43/536421743.db2.gz LRPMDXACIIFTFZ-INIZCTEOSA-N 0 0 349.398 2.281 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C1 ZINC000242324315 536567069 /nfs/dbraw/zinc/56/70/69/536567069.db2.gz ZAAPBERQMJYCFQ-CHWSQXEVSA-N 0 0 349.818 2.354 40 0 EEABRN COc1ccc(O[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1 ZINC000225437633 536864880 /nfs/dbraw/zinc/86/48/80/536864880.db2.gz QEPPDLHSURMJQI-AWEZNQCLSA-N 0 0 338.367 2.260 40 0 EEABRN CC(C)CNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000242794940 564120348 /nfs/dbraw/zinc/12/03/48/564120348.db2.gz FBWDTCNPHNYHBL-UHFFFAOYSA-N 0 0 336.816 2.017 40 0 EEABRN Cc1nn(CCCNC(=O)c2cccnc2)c(C)c1Br ZINC000027928096 1352373816 /nfs/dbraw/zinc/37/38/16/1352373816.db2.gz JMBWQKMIXWIULS-UHFFFAOYSA-N 0 0 337.221 2.478 40 0 EEABRN O=C(Cn1nnc2ccccc21)Nc1ccc(Br)cn1 ZINC000032609596 1352382654 /nfs/dbraw/zinc/38/26/54/1352382654.db2.gz BFYPBYNNIZXCON-UHFFFAOYSA-N 0 0 332.161 2.228 40 0 EEABRN COc1ccc(-c2nnc(CC(=O)n3nc(C)cc3C)o2)cc1OC ZINC000067172666 1354090922 /nfs/dbraw/zinc/09/09/22/1354090922.db2.gz MEQXRNNIEJNXTE-UHFFFAOYSA-N 0 0 342.355 2.450 40 0 EEABRN O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@H]1c1ccco1 ZINC000095116061 1357763375 /nfs/dbraw/zinc/76/33/75/1357763375.db2.gz QJNBJEDPNARARZ-HNNXBMFYSA-N 0 0 345.424 2.351 40 0 EEABRN O=C1C[C@@H]2CCN(C3COC3)C[C@@H]2CCOc2ccc(F)cc2N1 ZINC001534646409 1123376739 /nfs/dbraw/zinc/37/67/39/1123376739.db2.gz JYWJHIVAYUDJNI-STQMWFEESA-N 0 0 334.391 2.274 40 0 EEABRN O=C(Nc1nc2c(s1)COCC2)N1CCn2nc(C3CC3)cc2C1 ZINC001548451645 1124294239 /nfs/dbraw/zinc/29/42/39/1124294239.db2.gz SUGGQAVLRPUHKV-UHFFFAOYSA-N 0 0 345.428 2.337 40 0 EEABRN O=C(NC[C@@H]1COC2(CCOCC2)O1)N1CCC[C@@H]1c1ccccc1 ZINC000181027104 295674157 /nfs/dbraw/zinc/67/41/57/295674157.db2.gz PSMKUIXKVOGIAQ-IAGOWNOFSA-N 0 0 346.427 2.455 40 0 EEABRN CC[C@@]1(CO)CCCN1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000190950457 529558970 /nfs/dbraw/zinc/55/89/70/529558970.db2.gz KDHYMTCWZCVWRA-KDOFPFPSSA-N 0 0 343.431 2.275 40 0 EEABRN COc1ccccc1CCCNC(=O)c1cc(-c2cnn(C)c2)n[nH]1 ZINC000012116822 201825492 /nfs/dbraw/zinc/82/54/92/201825492.db2.gz YHXJNOOGWKHUPI-UHFFFAOYSA-N 0 0 339.399 2.181 40 0 EEABRN CNS(=O)(=O)c1cccc(CNCc2c(F)cccc2F)c1 ZINC000066988948 215100989 /nfs/dbraw/zinc/10/09/89/215100989.db2.gz TYAFBMXBTJYKIY-UHFFFAOYSA-N 0 0 326.368 2.163 40 0 EEABRN C[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)C(=O)N(C)C ZINC000179622442 233241235 /nfs/dbraw/zinc/24/12/35/233241235.db2.gz PQODZVNKQLFYNU-BLLLJJGKSA-N 0 0 344.390 2.086 40 0 EEABRN Cc1nc(NC2=NCN(Cc3ccccn3)CN2)nc2ccccc12 ZINC000019330690 202004610 /nfs/dbraw/zinc/00/46/10/202004610.db2.gz IVTXJOPKCUYKAE-UHFFFAOYSA-N 0 0 333.399 2.122 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019373405 202007135 /nfs/dbraw/zinc/00/71/35/202007135.db2.gz YTNHCDUUFZZWDG-AWEZNQCLSA-N 0 0 349.390 2.318 40 0 EEABRN CN(C)C(=O)c1ccc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc1 ZINC000019708316 202016726 /nfs/dbraw/zinc/01/67/26/202016726.db2.gz MDROMAODDCXUDW-MRXNPFEDSA-N 0 0 345.443 2.059 40 0 EEABRN CN(C)C(=O)c1ccc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1 ZINC000019708315 202017054 /nfs/dbraw/zinc/01/70/54/202017054.db2.gz MDROMAODDCXUDW-INIZCTEOSA-N 0 0 345.443 2.059 40 0 EEABRN Cc1nc(CC2CCN(C(=O)c3cccnc3)CC2)cc(N(C)C)n1 ZINC000019759215 202019428 /nfs/dbraw/zinc/01/94/28/202019428.db2.gz ZYLAOJTXRSQTPI-UHFFFAOYSA-N 0 0 339.443 2.341 40 0 EEABRN O=C(CCNC(=O)NC1CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000040040316 202167147 /nfs/dbraw/zinc/16/71/47/202167147.db2.gz LIFHEZBHYTVRQI-UHFFFAOYSA-N 0 0 347.415 2.418 40 0 EEABRN NC(=O)CN1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000193235671 283288475 /nfs/dbraw/zinc/28/84/75/283288475.db2.gz CMYFNOYGWYEGDV-UHFFFAOYSA-N 0 0 330.259 2.029 40 0 EEABRN CCCN(Cc1cnn(C)c1)C(=O)NCCC(=O)N1CCCCCC1 ZINC000078657127 283298014 /nfs/dbraw/zinc/29/80/14/283298014.db2.gz YKJCCCPFPGUBTM-UHFFFAOYSA-N 0 0 349.479 2.134 40 0 EEABRN NC(=O)[C@@H](NC[C@H]1CCCCO1)c1ccc(Br)cc1F ZINC000096437020 283313859 /nfs/dbraw/zinc/31/38/59/283313859.db2.gz AREBWVUPESMHMB-MFKMUULPSA-N 0 0 345.212 2.273 40 0 EEABRN C[C@@H]1CC[C@H](Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C1 ZINC000188095667 236424507 /nfs/dbraw/zinc/42/45/07/236424507.db2.gz YFGAUQQTAAEJRA-HIFRSBDPSA-N 0 0 338.473 2.433 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577041 237037558 /nfs/dbraw/zinc/03/75/58/237037558.db2.gz HYVKEZKPYXPJFO-RYUDHWBXSA-N 0 0 332.477 2.486 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)NCCc1cn2ccccc2n1 ZINC000189652538 237106432 /nfs/dbraw/zinc/10/64/32/237106432.db2.gz VPKRXFPROPCKRW-CYBMUJFWSA-N 0 0 339.399 2.341 40 0 EEABRN CC(C)C[C@H]1COCCN1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000073038302 202368476 /nfs/dbraw/zinc/36/84/76/202368476.db2.gz QCSWTOXXXPJJGL-INIZCTEOSA-N 0 0 334.464 2.218 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccncc2)[C@@H]1c1cccs1 ZINC000072238148 202356703 /nfs/dbraw/zinc/35/67/03/202356703.db2.gz POXUHOBISIALCF-XJKSGUPXSA-N 0 0 329.425 2.369 40 0 EEABRN Cc1cc(C)n(CC(=O)NCC2(c3ccccc3)CCOCC2)n1 ZINC000072265222 202358897 /nfs/dbraw/zinc/35/88/97/202358897.db2.gz IFVJFOLGRXZBEM-UHFFFAOYSA-N 0 0 327.428 2.365 40 0 EEABRN Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000074684599 202373583 /nfs/dbraw/zinc/37/35/83/202373583.db2.gz OSECHQCXKVKIME-OAHLLOKOSA-N 0 0 329.425 2.306 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 ZINC000075111313 202374402 /nfs/dbraw/zinc/37/44/02/202374402.db2.gz GYIJWVULOFGDEJ-LSDHHAIUSA-N 0 0 340.489 2.309 40 0 EEABRN Cc1ccc(OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)nc1 ZINC000075077116 202374725 /nfs/dbraw/zinc/37/47/25/202374725.db2.gz CUWIDCQYFJSCFF-INIZCTEOSA-N 0 0 325.412 2.412 40 0 EEABRN COc1ccc(CC(=O)Nc2nc3c(s2)COCC3)cc1OC ZINC000075166196 202377771 /nfs/dbraw/zinc/37/77/71/202377771.db2.gz NZAMRMCPYYTXQJ-UHFFFAOYSA-N 0 0 334.397 2.414 40 0 EEABRN COCCCCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000077706466 202393686 /nfs/dbraw/zinc/39/36/86/202393686.db2.gz BQTQHHBSSBYWKH-UHFFFAOYSA-N 0 0 347.184 2.070 40 0 EEABRN O=C(Nc1cccc2c[nH]nc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000078076174 202394106 /nfs/dbraw/zinc/39/41/06/202394106.db2.gz QUBNICKVOOQTAX-QGZVFWFLSA-N 0 0 336.395 2.402 40 0 EEABRN COC(=O)c1cc(C)ccc1OC(=O)c1c(C)nn2cccnc12 ZINC000078442912 202396087 /nfs/dbraw/zinc/39/60/87/202396087.db2.gz ZOKLFSHWOZIQOJ-UHFFFAOYSA-N 0 0 325.324 2.352 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000078556376 202397957 /nfs/dbraw/zinc/39/79/57/202397957.db2.gz JWWUBIPOMQMMQX-RBSFLKMASA-N 0 0 339.457 2.101 40 0 EEABRN CCCO[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000078671091 202399254 /nfs/dbraw/zinc/39/92/54/202399254.db2.gz TWYCCNPDYYUSOE-AWEZNQCLSA-N 0 0 331.478 2.152 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000077235723 202392138 /nfs/dbraw/zinc/39/21/38/202392138.db2.gz XCMPOWGMIUGJOI-NXEZZACHSA-N 0 0 334.239 2.007 40 0 EEABRN CCc1nnsc1C(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000079352373 202431156 /nfs/dbraw/zinc/43/11/56/202431156.db2.gz PGITZAPOCAPYMU-LBPRGKRZSA-N 0 0 328.401 2.046 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)c1F ZINC000240067955 201152807 /nfs/dbraw/zinc/15/28/07/201152807.db2.gz SFBVVHRIZOZEGA-NSHDSACASA-N 0 0 335.404 2.462 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)c3scnc3C)C2)c1F ZINC000240067767 201153083 /nfs/dbraw/zinc/15/30/83/201153083.db2.gz SASTWOIREIOERK-SNVBAGLBSA-N 0 0 336.392 2.237 40 0 EEABRN O=C(Nc1onc2c1CCCC2)c1cccnc1O[C@H]1CCOC1 ZINC000253401890 201186929 /nfs/dbraw/zinc/18/69/29/201186929.db2.gz NQYOBOKLBKWFBT-NSHDSACASA-N 0 0 329.356 2.368 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1Cl ZINC000253473517 201187582 /nfs/dbraw/zinc/18/75/82/201187582.db2.gz VSSHXGLTDBGVAA-BYCMXARLSA-N 0 0 345.848 2.263 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCS[C@@H](C)CC1 ZINC000276949340 201298894 /nfs/dbraw/zinc/29/88/94/201298894.db2.gz OLRHOUVNPAAARC-JTQLQIEISA-N 0 0 349.499 2.359 40 0 EEABRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCSC[C@H]1C(N)=O ZINC000281963125 201327288 /nfs/dbraw/zinc/32/72/88/201327288.db2.gz NGIISGOEDVRYSS-AWEZNQCLSA-N 0 0 348.468 2.105 40 0 EEABRN C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000153896360 201393940 /nfs/dbraw/zinc/39/39/40/201393940.db2.gz OGXAPHTWWDLOTC-QILLFSRXSA-N 0 0 340.423 2.454 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000153655820 201394529 /nfs/dbraw/zinc/39/45/29/201394529.db2.gz FBKNVTVOKDQUEP-OKZBNKHCSA-N 0 0 342.443 2.270 40 0 EEABRN Cn1c2ccc(NCc3ccc([S@@](C)=O)cc3)cc2n(C)c1=O ZINC000085324555 202613263 /nfs/dbraw/zinc/61/32/63/202613263.db2.gz KEZPIKSHOPGHOK-QHCPKHFHSA-N 0 0 329.425 2.227 40 0 EEABRN C[C@H](NC(=O)Cn1cc(CCO)cn1)c1ccc2c(c1)CCCC2 ZINC000193710054 240277752 /nfs/dbraw/zinc/27/77/52/240277752.db2.gz SIXLKQCJJCCJOD-AWEZNQCLSA-N 0 0 327.428 2.174 40 0 EEABRN O=C(NCc1c(F)cccc1OC(F)F)NC[C@@H]1CC[C@H](O)C1 ZINC000195578372 241025269 /nfs/dbraw/zinc/02/52/69/241025269.db2.gz FDUJRSSOPSGFRY-ZJUUUORDSA-N 0 0 332.322 2.387 40 0 EEABRN COc1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)cn1 ZINC000224050456 241725094 /nfs/dbraw/zinc/72/50/94/241725094.db2.gz FMLNQMHRPGNIKZ-UHFFFAOYSA-N 0 0 331.397 2.348 40 0 EEABRN COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000224824586 241781668 /nfs/dbraw/zinc/78/16/68/241781668.db2.gz ZFMNHGZRKWBWNA-UHFFFAOYSA-N 0 0 335.381 2.292 40 0 EEABRN COc1cncc(O[C@H]2CCN(C(=O)CCc3cccc(C)c3)C2)n1 ZINC000225395597 241842214 /nfs/dbraw/zinc/84/22/14/241842214.db2.gz IAOXRLIGQRSYID-INIZCTEOSA-N 0 0 341.411 2.406 40 0 EEABRN COc1cc(C)n(CCNC(=O)CCc2ccc(F)c(C)c2)c(=O)c1 ZINC000225615408 241953974 /nfs/dbraw/zinc/95/39/74/241953974.db2.gz YXDSLZLUMPIIDJ-UHFFFAOYSA-N 0 0 346.402 2.362 40 0 EEABRN COc1nccnc1O[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000225808407 242046339 /nfs/dbraw/zinc/04/63/39/242046339.db2.gz JNBLRWLZMGPZKT-AWEZNQCLSA-N 0 0 338.367 2.260 40 0 EEABRN CN1C(=O)C[C@@H](Nc2nccn3cnnc23)[C@H]1c1ccc(Cl)cc1 ZINC000241644448 242996583 /nfs/dbraw/zinc/99/65/83/242996583.db2.gz PQUVLWVLDUIJRU-TZMCWYRMSA-N 0 0 342.790 2.162 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@H](OCc2cccnc2)CCO3)nn1 ZINC000247905024 243478673 /nfs/dbraw/zinc/47/86/73/243478673.db2.gz JTDOPJCPVMEJHD-MRXNPFEDSA-N 0 0 326.400 2.135 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)NC1CCN(c2nccs2)CC1 ZINC000252491926 243799712 /nfs/dbraw/zinc/79/97/12/243799712.db2.gz LZRJJBZLZYCRJN-LLVKDONJSA-N 0 0 348.476 2.214 40 0 EEABRN Cc1cccc([C@H](C)NC(=O)[C@H](CO)NC(=O)c2ccccc2)c1C ZINC000253417705 243943380 /nfs/dbraw/zinc/94/33/80/243943380.db2.gz DUHGAIZDUZFNJZ-YJBOKZPZSA-N 0 0 340.423 2.272 40 0 EEABRN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H](c2ccsc2)O1 ZINC000253428100 243971526 /nfs/dbraw/zinc/97/15/26/243971526.db2.gz HHAUPKNGBACILJ-WCQYABFASA-N 0 0 343.470 2.004 40 0 EEABRN CCCN1C(=O)CCc2cc(NC(=O)NCc3ccnn3C)ccc21 ZINC000091196389 203074105 /nfs/dbraw/zinc/07/41/05/203074105.db2.gz LCEJFEGONCUUFO-UHFFFAOYSA-N 0 0 341.415 2.431 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCN1C ZINC000257206236 244133735 /nfs/dbraw/zinc/13/37/35/244133735.db2.gz BCNLMESZXJANDN-KRWDZBQOSA-N 0 0 342.443 2.093 40 0 EEABRN c1nc(CN2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)c[nH]1 ZINC000257200580 244116955 /nfs/dbraw/zinc/11/69/55/244116955.db2.gz ADWIPJFQDXIMTO-CYBMUJFWSA-N 0 0 336.403 2.113 40 0 EEABRN Cc1cc(C[C@H]2COCCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 ZINC000257213205 244158431 /nfs/dbraw/zinc/15/84/31/244158431.db2.gz CGOQFFUFFSIFBG-MRXNPFEDSA-N 0 0 343.402 2.184 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257216044 244168422 /nfs/dbraw/zinc/16/84/22/244168422.db2.gz CSVZPJFSMPIHOQ-CQSZACIVSA-N 0 0 329.375 2.369 40 0 EEABRN COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 ZINC000072382501 203211002 /nfs/dbraw/zinc/21/10/02/203211002.db2.gz LSJTXZZDBCXIBN-CQSZACIVSA-N 0 0 341.415 2.194 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378755 203211074 /nfs/dbraw/zinc/21/10/74/203211074.db2.gz ZABQZAIJUPBWQS-CQSZACIVSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1oc2c(c1C(=O)N1CCO[C@@H](c3cnccn3)C1)CCCC2 ZINC000257244203 244252797 /nfs/dbraw/zinc/25/27/97/244252797.db2.gz IKJIDLMTFCXZBM-MRXNPFEDSA-N 0 0 327.384 2.471 40 0 EEABRN CCN(Cc1ccncc1)c1cc([C@@H]2CCN2C(C)=O)nc(C)n1 ZINC000072387663 203212125 /nfs/dbraw/zinc/21/21/25/203212125.db2.gz MDWXLZAHZDYAHR-KRWDZBQOSA-N 0 0 325.416 2.500 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)n1 ZINC000257235780 244229501 /nfs/dbraw/zinc/22/95/01/244229501.db2.gz GZJYMLRCJIVDOJ-CQSZACIVSA-N 0 0 325.416 2.247 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072368146 203207601 /nfs/dbraw/zinc/20/76/01/203207601.db2.gz OWSZBNUHOLQJRZ-JTQLQIEISA-N 0 0 342.321 2.101 40 0 EEABRN c1cnc(N2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)nc1 ZINC000072368928 203208569 /nfs/dbraw/zinc/20/85/69/203208569.db2.gz SFUXJWVGRDRMHN-UHFFFAOYSA-N 0 0 348.414 2.259 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3cc(C)on3)CCN2C(C)=O)cc1 ZINC000257255244 244279474 /nfs/dbraw/zinc/27/94/74/244279474.db2.gz KGSRSJGYDJGXMB-KRWDZBQOSA-N 0 0 343.383 2.037 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2ccccn2)CCN1C(C)=O ZINC000257262328 244350399 /nfs/dbraw/zinc/35/03/99/244350399.db2.gz LKYSRNBLNYZTCI-GOSISDBHSA-N 0 0 325.412 2.496 40 0 EEABRN Cn1cc(C(=O)N2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cn1 ZINC000257275425 244390623 /nfs/dbraw/zinc/39/06/23/244390623.db2.gz NPIQJHNGZPCZMC-VQFNDLOPSA-N 0 0 325.412 2.488 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)nc(C)n1 ZINC000257314367 244501940 /nfs/dbraw/zinc/50/19/40/244501940.db2.gz UWQSMPQYZOUUIP-HNNXBMFYSA-N 0 0 329.404 2.338 40 0 EEABRN O=C(CCCc1ccncc1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257344519 244580350 /nfs/dbraw/zinc/58/03/50/244580350.db2.gz ZXRHYEQYSGTTRO-GOSISDBHSA-N 0 0 340.427 2.055 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048519 203808022 /nfs/dbraw/zinc/80/80/22/203808022.db2.gz UWCLGRYHCPFWHX-WMLDXEAASA-N 0 0 346.362 2.085 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2cnn(CC3CC3)c21 ZINC000096198403 203862518 /nfs/dbraw/zinc/86/25/18/203862518.db2.gz FIMVGLRRIPSVHF-HNNXBMFYSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1noc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000041122280 204006052 /nfs/dbraw/zinc/00/60/52/204006052.db2.gz BTWZRAUHWPTZDC-CYBMUJFWSA-N 0 0 329.356 2.169 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000107226334 204227671 /nfs/dbraw/zinc/22/76/71/204227671.db2.gz TYGKZZBEXDPMAN-CZUORRHYSA-N 0 0 331.445 2.087 40 0 EEABRN O=C(c1ccncn1)N1CCC2(CCCN(CC3CCC3)C2=O)CC1 ZINC000108531745 204265341 /nfs/dbraw/zinc/26/53/41/204265341.db2.gz FAZQFMGTXTZLKG-UHFFFAOYSA-N 0 0 342.443 2.122 40 0 EEABRN Cc1nnc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)s1 ZINC000044204432 204298648 /nfs/dbraw/zinc/29/86/48/204298648.db2.gz UUCINTHKPKNQIY-WFASDCNBSA-N 0 0 345.424 2.393 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)CC1 ZINC000079036545 217178895 /nfs/dbraw/zinc/17/88/95/217178895.db2.gz IAESFLBYDYQBNR-IAGOWNOFSA-N 0 0 345.443 2.284 40 0 EEABRN CCN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@@H](C)CS(C)(=O)=O ZINC000079036429 217179023 /nfs/dbraw/zinc/17/90/23/217179023.db2.gz OAVQQSKALWAMAY-NHYWBVRUSA-N 0 0 342.436 2.278 40 0 EEABRN NS(=O)(=O)c1cccnc1NCc1ccc(F)cc1C(F)(F)F ZINC000079037619 217179604 /nfs/dbraw/zinc/17/96/04/217179604.db2.gz HKZAWAJAMMTJGH-UHFFFAOYSA-N 0 0 349.309 2.499 40 0 EEABRN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cs1 ZINC000006680960 205821215 /nfs/dbraw/zinc/82/12/15/205821215.db2.gz PHSIARDZWBEAJB-LLVKDONJSA-N 0 0 330.475 2.307 40 0 EEABRN COC(=O)c1c[nH]c(=O)c(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1 ZINC000155721956 206029235 /nfs/dbraw/zinc/02/92/35/206029235.db2.gz BAFUQOWVDUYMGM-WDEREUQCSA-N 0 0 332.381 2.274 40 0 EEABRN CCN(CC)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000004995851 206497565 /nfs/dbraw/zinc/49/75/65/206497565.db2.gz PCDMAQWDBXAXNC-UHFFFAOYSA-N 0 0 332.853 2.283 40 0 EEABRN Nc1nnnn1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000007602411 206524113 /nfs/dbraw/zinc/52/41/13/206524113.db2.gz AUBAUYPAFJEDJH-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc(C(F)(F)F)n1 ZINC000096098973 218592590 /nfs/dbraw/zinc/59/25/90/218592590.db2.gz NYZRZQOCAOGINO-LLVKDONJSA-N 0 0 327.306 2.486 40 0 EEABRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[S@@](C)=O ZINC000096408770 218760689 /nfs/dbraw/zinc/76/06/89/218760689.db2.gz PQFMZNNGJBOLGH-OVWNDWIMSA-N 0 0 347.278 2.058 40 0 EEABRN CCS(=O)(=O)c1cccc(NCc2cc(=O)n3ccccc3n2)c1 ZINC000096411330 218767269 /nfs/dbraw/zinc/76/72/69/218767269.db2.gz JEFAOFRTEXGCAY-UHFFFAOYSA-N 0 0 343.408 2.100 40 0 EEABRN CC(C)c1nc(CNC(=O)NCC[C@H](O)C(F)(F)F)cs1 ZINC000096413320 218770502 /nfs/dbraw/zinc/77/05/02/218770502.db2.gz DMCBNCYCGJHFDK-VIFPVBQESA-N 0 0 325.356 2.379 40 0 EEABRN Cc1cccc2nc(CN3C(=O)c4ccccc4CS3(=O)=O)cn21 ZINC000096410880 218765861 /nfs/dbraw/zinc/76/58/61/218765861.db2.gz VBJJLULQZIMIIQ-UHFFFAOYSA-N 0 0 341.392 2.129 40 0 EEABRN CCn1c(-c2cccs2)nnc1S(=O)(=O)C[C@H]1CCCCO1 ZINC000177523153 207348953 /nfs/dbraw/zinc/34/89/53/207348953.db2.gz XQHPYVNLCKXFTR-LLVKDONJSA-N 0 0 341.458 2.369 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420761 218785354 /nfs/dbraw/zinc/78/53/54/218785354.db2.gz AVVSNAYJBVXNLV-GRYCIOLGSA-N 0 0 342.317 2.165 40 0 EEABRN O=C(c1ccc(NCCOCC(F)(F)F)cc1)N1CCOCC1 ZINC000096427433 218798706 /nfs/dbraw/zinc/79/87/06/218798706.db2.gz GLFACXGEYWTTSX-UHFFFAOYSA-N 0 0 332.322 2.150 40 0 EEABRN C[C@H](NC(=O)CCc1cnn(C)c1)c1nc(-c2cccc(F)c2)no1 ZINC000096432782 218808966 /nfs/dbraw/zinc/80/89/66/218808966.db2.gz HZQLUNKDUBIZRU-NSHDSACASA-N 0 0 343.362 2.419 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)NCCCc2nc(C)no2)C12CCCC2 ZINC000096439741 218819958 /nfs/dbraw/zinc/81/99/58/218819958.db2.gz RITBUXKUTAAZJE-KBPBESRZSA-N 0 0 336.436 2.348 40 0 EEABRN Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)n1C ZINC000096444572 218826444 /nfs/dbraw/zinc/82/64/44/218826444.db2.gz NMLOFFFQXMUONN-HNNXBMFYSA-N 0 0 346.475 2.314 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000096461459 218844283 /nfs/dbraw/zinc/84/42/83/218844283.db2.gz LJOHDXBPBYMBAF-SUMWQHHRSA-N 0 0 342.395 2.306 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000096476317 218853235 /nfs/dbraw/zinc/85/32/35/218853235.db2.gz OINBKTQNBHVDGA-LBPRGKRZSA-N 0 0 341.337 2.271 40 0 EEABRN COc1cccc([C@]2(O)CC(C)=NN2C(=O)[C@@H](O)c2ccccc2)c1 ZINC000408562798 257896728 /nfs/dbraw/zinc/89/67/28/257896728.db2.gz CKYAUFLFIKPPPE-PKOBYXMFSA-N 0 0 340.379 2.182 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000245312440 258000423 /nfs/dbraw/zinc/00/04/23/258000423.db2.gz JFOSKHIGWYQJQM-NRUUGDAUSA-N 0 0 340.395 2.058 40 0 EEABRN CCn1cc(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)cn1 ZINC000040775017 132406891 /nfs/dbraw/zinc/40/68/91/132406891.db2.gz ZJVCHMUQADNXLT-INIZCTEOSA-N 0 0 330.413 2.369 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@@H]3C1)[C@H](C)C2 ZINC000241231192 292360882 /nfs/dbraw/zinc/36/08/82/292360882.db2.gz KSXWBVBPJOKJTP-DQEVTTJGSA-N 0 0 343.471 2.343 40 0 EEABRN CC[C@@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)N1CCCC1=O ZINC000096436285 286725365 /nfs/dbraw/zinc/72/53/65/286725365.db2.gz DCZDCCHQSUPCEM-DLBZAZTESA-N 0 0 330.428 2.160 40 0 EEABRN CN1CCO[C@@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC000084367445 277118480 /nfs/dbraw/zinc/11/84/80/277118480.db2.gz GNQAMOLYRYWMKZ-CQSZACIVSA-N 0 0 329.227 2.209 40 0 EEABRN CC(C)/C=C1\NC(=O)[C@@H](C(C)C)n2c(=O)c3cccc(O)c3nc21 ZINC000209369211 277320594 /nfs/dbraw/zinc/32/05/94/277320594.db2.gz UVGDCLGJXMBOBD-LDCOFTPGSA-N 0 0 327.384 2.426 40 0 biogenic,in-vitro EEABRN O=C(c1ccncn1)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC000096041620 280221641 /nfs/dbraw/zinc/22/16/41/280221641.db2.gz ZXLKJQYTBUBMFL-GVDBMIGSSA-N 0 0 331.416 2.055 40 0 EEABRN O=C1CCCN1C[C@@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096188413 280252509 /nfs/dbraw/zinc/25/25/09/280252509.db2.gz JHBGLOUPXRAOGO-HNNXBMFYSA-N 0 0 330.457 2.199 40 0 EEABRN Cc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000009060734 281051049 /nfs/dbraw/zinc/05/10/49/281051049.db2.gz HSFCFAYTHGBKHB-WCVJEAGWSA-N 0 0 338.407 2.083 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)C[C@@H]2c2ccc(OC)cc2)cn1 ZINC000257212142 281623189 /nfs/dbraw/zinc/62/31/89/281623189.db2.gz CCCPJMIQQBSDPK-LJQANCHMSA-N 0 0 342.443 2.317 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@@H]21 ZINC000253420872 290080481 /nfs/dbraw/zinc/08/04/81/290080481.db2.gz DNCBKYSIQCQTJZ-MJBXVCDLSA-N 0 0 349.397 2.222 40 0 EEABRN COc1ccc2c3c1OC1=C(OC)C=C[C@H]4[C@@H](C2)N(C=O)CC[C@]314 ZINC000096316353 295278441 /nfs/dbraw/zinc/27/84/41/295278441.db2.gz XXXNJOPDQLNHNP-QUJCMNEKSA-N 0 0 325.364 2.156 40 0 biogenic,in-vitro EEABRN C[C@@H]1[C@H]2[C@@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@H]2N(C)C(=O)N1C ZINC000105364219 297823462 /nfs/dbraw/zinc/82/34/62/297823462.db2.gz UNJZVKFTIFAQTA-WNTKXMJWSA-N 0 0 342.443 2.394 40 0 EEABRN Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)no1 ZINC000257331641 301089919 /nfs/dbraw/zinc/08/99/19/301089919.db2.gz XTRGBCJSBHFTHK-CYBMUJFWSA-N 0 0 327.344 2.099 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@@H]2CCCOc3c(F)cccc32)on1 ZINC000329227371 311660145 /nfs/dbraw/zinc/66/01/45/311660145.db2.gz BDSSGVYUUYTJEZ-CQSZACIVSA-N 0 0 340.376 2.455 40 0 EEABRN Cn1nnc2c1C[C@H](C(=O)N1C[C@H]3CCC(=O)c4cccc1c43)CC2 ZINC000329780203 311701337 /nfs/dbraw/zinc/70/13/37/311701337.db2.gz RSCVZTYWNXGINL-VXGBXAGGSA-N 0 0 336.395 2.027 40 0 EEABRN Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3CCC(=O)c4cccc1c43)CC2 ZINC000329780200 311701381 /nfs/dbraw/zinc/70/13/81/311701381.db2.gz RSCVZTYWNXGINL-NEPJUHHUSA-N 0 0 336.395 2.027 40 0 EEABRN CN(c1cnn(C)c1)S(=O)(=O)c1ccc(Br)cc1F ZINC000097097214 323320513 /nfs/dbraw/zinc/32/05/13/323320513.db2.gz CFVRSKMJWXGYMA-UHFFFAOYSA-N 0 0 348.197 2.147 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(N2CCCC2)nc1 ZINC000097379329 323323056 /nfs/dbraw/zinc/32/30/56/323323056.db2.gz NHAVRYHTRZAZBQ-QGZVFWFLSA-N 0 0 340.427 2.234 40 0 EEABRN Cc1cc(=O)c(-c2nc(-c3cnccn3)no2)nn1-c1ccccc1 ZINC000195577705 323515273 /nfs/dbraw/zinc/51/52/73/323515273.db2.gz PGQVQBUGMHWQOG-UHFFFAOYSA-N 0 0 332.323 2.048 40 0 EEABRN COc1cccc(CS(=O)(=O)c2ncccc2Br)n1 ZINC000163468951 463590078 /nfs/dbraw/zinc/59/00/78/463590078.db2.gz SASDAAJDPNFXBR-UHFFFAOYSA-N 0 0 343.202 2.222 40 0 EEABRN C[C@H](CNC(=O)c1ccc([C@H]2CCCOC2)cc1)c1nncn1C ZINC000329493589 465354037 /nfs/dbraw/zinc/35/40/37/465354037.db2.gz ICJIOAWCUARVQH-CJNGLKHVSA-N 0 0 328.416 2.243 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccncc1 ZINC000085467420 462548636 /nfs/dbraw/zinc/54/86/36/462548636.db2.gz TWGMQKMNIIUYLT-KRWDZBQOSA-N 0 0 341.386 2.184 40 0 EEABRN COc1cccc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)c1 ZINC000085472581 462550328 /nfs/dbraw/zinc/55/03/28/462550328.db2.gz OCKVQHBVUWWTSF-HNNXBMFYSA-N 0 0 346.408 2.123 40 0 EEABRN O=C(CSc1nnnn1-c1ccccc1F)NC1CCCCC1 ZINC000000414695 462560618 /nfs/dbraw/zinc/56/06/18/462560618.db2.gz ZHXIOQCMELNPQY-UHFFFAOYSA-N 0 0 335.408 2.342 40 0 EEABRN CC1=C[C@@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2ccncc2)N1 ZINC000000527768 462568853 /nfs/dbraw/zinc/56/88/53/462568853.db2.gz MJVLINKZRPHKBM-SNVBAGLBSA-N 0 0 339.220 2.121 40 0 EEABRN COc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c(OC)c1 ZINC000001329832 462579350 /nfs/dbraw/zinc/57/93/50/462579350.db2.gz RFEYFFJHVFMRHC-ZDUSSCGKSA-N 0 0 342.399 2.349 40 0 EEABRN COc1ccc2c(c1)c1nnc(SCC(=O)NC(C)C)nc1n2C ZINC000001366299 462580370 /nfs/dbraw/zinc/58/03/70/462580370.db2.gz NUOBKQCNFUUNEJ-UHFFFAOYSA-N 0 0 345.428 2.142 40 0 EEABRN CCCCC[C@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O ZINC000002044626 462589388 /nfs/dbraw/zinc/58/93/88/462589388.db2.gz FJHIWOGHZZTUKU-CYBMUJFWSA-N 0 0 339.413 2.343 40 0 EEABRN O=C(Nc1nccs1)C12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 ZINC000002783807 462603158 /nfs/dbraw/zinc/60/31/58/462603158.db2.gz QATZOXQXYLZYNU-MPLXBHQASA-N 0 0 330.417 2.064 40 0 EEABRN COCCCNC(=S)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000004888597 462640023 /nfs/dbraw/zinc/64/00/23/462640023.db2.gz PFEBXBYFQIIGDS-UHFFFAOYSA-N 0 0 349.500 2.100 40 0 EEABRN C[C@H](c1ccccc1F)n1cc(C(=O)NCc2ccccn2)nn1 ZINC000004929210 462641675 /nfs/dbraw/zinc/64/16/75/462641675.db2.gz DLCLCKRDSYNXRF-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN O=S(=O)(NCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000005120651 462646206 /nfs/dbraw/zinc/64/62/06/462646206.db2.gz XTJVCFFCWUDSJE-UHFFFAOYSA-N 0 0 337.372 2.118 40 0 EEABRN CCOc1ccc2[nH]c3nc(SCC(=O)NC4CC4)nnc3c2c1 ZINC000005672195 462666162 /nfs/dbraw/zinc/66/61/62/462666162.db2.gz BSYMEHHJBFSTOE-UHFFFAOYSA-N 0 0 343.412 2.276 40 0 EEABRN CCCCCOc1ccc(NC(=O)C(=O)NCCCCCO)cc1 ZINC000006597417 462691911 /nfs/dbraw/zinc/69/19/11/462691911.db2.gz PHCAMDHVWHNTIG-UHFFFAOYSA-N 0 0 336.432 2.473 40 0 EEABRN CCOC(=O)Cn1cc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc21 ZINC000006630205 462693684 /nfs/dbraw/zinc/69/36/84/462693684.db2.gz YINFRPKVFPQFAT-NTEUORMPSA-N 0 0 341.367 2.117 40 0 EEABRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000006948510 462713938 /nfs/dbraw/zinc/71/39/38/462713938.db2.gz RWKHDVORYOHHPW-LCYFTJDESA-N 0 0 334.397 2.297 40 0 EEABRN Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccccc1F ZINC000006962533 462714139 /nfs/dbraw/zinc/71/41/39/462714139.db2.gz NCQRAWHKYJJKIY-JYRVWZFOSA-N 0 0 326.331 2.335 40 0 EEABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O ZINC000007928196 462757962 /nfs/dbraw/zinc/75/79/62/462757962.db2.gz QTOJZKLFOSCPIS-IRXDYDNUSA-N 0 0 344.455 2.460 40 0 EEABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000007939483 462758016 /nfs/dbraw/zinc/75/80/16/462758016.db2.gz BDHVPDPZXLRQHK-SDWJNUAKSA-N 0 0 344.363 2.007 40 0 EEABRN CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000065403187 462764806 /nfs/dbraw/zinc/76/48/06/462764806.db2.gz JPJILZSLXICHHA-LBPRGKRZSA-N 0 0 334.416 2.362 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(F)c1 ZINC000008243362 462774925 /nfs/dbraw/zinc/77/49/25/462774925.db2.gz QEXPEGDIKGPBSZ-SNVBAGLBSA-N 0 0 340.351 2.270 40 0 EEABRN COc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000010000475 462810408 /nfs/dbraw/zinc/81/04/08/462810408.db2.gz HXPGMMOIOCLNEH-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN C=Cn1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1 ZINC000010119566 462813965 /nfs/dbraw/zinc/81/39/65/462813965.db2.gz PVYLJFILHKBSEA-UHFFFAOYSA-N 0 0 347.375 2.222 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010366123 462818422 /nfs/dbraw/zinc/81/84/22/462818422.db2.gz FJMLBKOLDDFEMJ-CQSZACIVSA-N 0 0 326.462 2.326 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1 ZINC000010672949 462821718 /nfs/dbraw/zinc/82/17/18/462821718.db2.gz MLQNIOJJIXOVST-UHFFFAOYSA-N 0 0 342.395 2.253 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 ZINC000011611100 462835030 /nfs/dbraw/zinc/83/50/30/462835030.db2.gz CWJMTPXLZVSOHT-UHFFFAOYSA-N 0 0 336.388 2.170 40 0 EEABRN C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000012113271 462844101 /nfs/dbraw/zinc/84/41/01/462844101.db2.gz NWIWAYJMUBBTTL-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4c[nH]nc4C)C[C@@H]32)cc1 ZINC000012120996 462844121 /nfs/dbraw/zinc/84/41/21/462844121.db2.gz YBCAJOFDLVRLMY-FMEYXAORSA-N 0 0 341.411 2.097 40 0 EEABRN COc1ccccc1CC(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1 ZINC000012114730 462844223 /nfs/dbraw/zinc/84/42/23/462844223.db2.gz PWUMCSDIKQPSMM-LBPRGKRZSA-N 0 0 337.383 2.295 40 0 EEABRN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181415 462846896 /nfs/dbraw/zinc/84/68/96/462846896.db2.gz FAEMBUTTZRVJSV-JHJVBQTASA-N 0 0 344.415 2.151 40 0 EEABRN CCc1ncc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cn1 ZINC000012188189 462847303 /nfs/dbraw/zinc/84/73/03/462847303.db2.gz RDJITAMNMXGFJJ-UHFFFAOYSA-N 0 0 341.411 2.251 40 0 EEABRN Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@@H]2C[C@H]2C)on1 ZINC000012337714 462850012 /nfs/dbraw/zinc/85/00/12/462850012.db2.gz MVQZDNWJYLDAOV-ZYHUDNBSSA-N 0 0 329.404 2.120 40 0 EEABRN Cc1occc1-c1nn(C2CCN(C(=O)C3CCC3)CC2)c(=O)o1 ZINC000012740063 462864727 /nfs/dbraw/zinc/86/47/27/462864727.db2.gz OCKZTAQBQJXHNF-UHFFFAOYSA-N 0 0 331.372 2.368 40 0 EEABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)CC)cc1 ZINC000016610255 462985000 /nfs/dbraw/zinc/98/50/00/462985000.db2.gz DQNKGLDQNCELDZ-CYBMUJFWSA-N 0 0 342.461 2.011 40 0 EEABRN Cc1cc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)no1 ZINC000077613698 463011448 /nfs/dbraw/zinc/01/14/48/463011448.db2.gz IQRHWPGETZOKEV-LBPRGKRZSA-N 0 0 330.262 2.345 40 0 EEABRN COc1ccc(OCC(=O)N2CCC[C@H]2c2nc(C)cc(=O)[nH]2)cc1 ZINC000019118113 463013927 /nfs/dbraw/zinc/01/39/27/463013927.db2.gz UXLNNCYCOANSGO-HNNXBMFYSA-N 0 0 343.383 2.242 40 0 EEABRN COCC(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 ZINC000019124326 463014123 /nfs/dbraw/zinc/01/41/23/463014123.db2.gz KISJEOIJVULLQK-UHFFFAOYSA-N 0 0 338.367 2.370 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000019117801 463014209 /nfs/dbraw/zinc/01/42/09/463014209.db2.gz QUVXRQIHRPNECI-ZDUSSCGKSA-N 0 0 341.367 2.239 40 0 EEABRN c1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2[C@H]2CCCO2)cn1 ZINC000019403781 463017538 /nfs/dbraw/zinc/01/75/38/463017538.db2.gz KYYRMECDLHTKRK-SWLSCSKDSA-N 0 0 327.388 2.376 40 0 EEABRN Cc1ccc(N2CCCc3sc(C(=O)N4CCCCO4)nc32)nn1 ZINC000096037474 463142198 /nfs/dbraw/zinc/14/21/98/463142198.db2.gz QFEUHEPIKMQFQZ-UHFFFAOYSA-N 0 0 345.428 2.493 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040107 463144728 /nfs/dbraw/zinc/14/47/28/463144728.db2.gz RNDYZSGBVQJQAH-IEBWSBKVSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042250 463147965 /nfs/dbraw/zinc/14/79/65/463147965.db2.gz WTCULWNYPSOKGL-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)o1 ZINC000096048723 463153505 /nfs/dbraw/zinc/15/35/05/463153505.db2.gz UBWGPKHMKBCGHY-GOSISDBHSA-N 0 0 340.383 2.037 40 0 EEABRN Cc1nc(CO[C@@H]2CN(Cc3nccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096055879 463158189 /nfs/dbraw/zinc/15/81/89/463158189.db2.gz QZJDKUGFBJTFBN-BFHYXJOUSA-N 0 0 337.470 2.324 40 0 EEABRN CO[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000078879476 463158241 /nfs/dbraw/zinc/15/82/41/463158241.db2.gz OHHMSUSZPAYGLD-LSDHHAIUSA-N 0 0 334.416 2.500 40 0 EEABRN COC[C@H]1c2nnn(C)c2CCN1CCOc1ccc(Cl)cc1 ZINC000096068705 463165736 /nfs/dbraw/zinc/16/57/36/463165736.db2.gz FXDPKBJALASUHN-HNNXBMFYSA-N 0 0 336.823 2.093 40 0 EEABRN COc1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000078921842 463166394 /nfs/dbraw/zinc/16/63/94/463166394.db2.gz PHYPMEURGFTEEG-GFCCVEGCSA-N 0 0 334.313 2.429 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)c4c[nH]cn4)C3)CC2=O)cc1C ZINC000096077510 463168483 /nfs/dbraw/zinc/16/84/83/463168483.db2.gz RVAXSEJKUOQBPS-IBGZPJMESA-N 0 0 338.411 2.296 40 0 EEABRN O=C(Cc1ccccn1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 ZINC000096092086 463170053 /nfs/dbraw/zinc/17/00/53/463170053.db2.gz DVRMRFFBNKQEAO-CABCVRRESA-N 0 0 327.409 2.092 40 0 EEABRN O=C(c1ccno1)N1CCCn2cnc(COCc3ccco3)c2C1 ZINC000096085070 463170297 /nfs/dbraw/zinc/17/02/97/463170297.db2.gz CKGXQBOYGSFYEC-UHFFFAOYSA-N 0 0 342.355 2.227 40 0 EEABRN Cn1nc(CNS(=O)(=O)c2ccc(Cl)s2)c2c1CCCC2 ZINC000096099170 463172709 /nfs/dbraw/zinc/17/27/09/463172709.db2.gz BGTWGMNADCWGFN-UHFFFAOYSA-N 0 0 345.877 2.492 40 0 EEABRN COc1ccc(-c2nn([C@@H](C)C(=O)NC(C)C)c(=O)cc2OC)cc1 ZINC000096101026 463173026 /nfs/dbraw/zinc/17/30/26/463173026.db2.gz LMUMIYGHCBGXSR-LBPRGKRZSA-N 0 0 345.399 2.013 40 0 EEABRN CO[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(C)s1 ZINC000096104825 463173892 /nfs/dbraw/zinc/17/38/92/463173892.db2.gz NZHYNYQEWKVZLD-LBPRGKRZSA-N 0 0 343.474 2.073 40 0 EEABRN O=C(CSc1ccccc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000078987035 463175443 /nfs/dbraw/zinc/17/54/43/463175443.db2.gz IABXOBAKVVZGSB-NSHDSACASA-N 0 0 332.347 2.058 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096109089 463177667 /nfs/dbraw/zinc/17/76/67/463177667.db2.gz PZLMKVXCRODSDH-KDOFPFPSSA-N 0 0 332.375 2.185 40 0 EEABRN COc1cccc(CC(=O)N2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096108733 463177772 /nfs/dbraw/zinc/17/77/72/463177772.db2.gz RBVZYSFFJXVMSQ-YLJYHZDGSA-N 0 0 345.439 2.139 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@@H]2OC)cc1 ZINC000096111192 463179306 /nfs/dbraw/zinc/17/93/06/463179306.db2.gz NYABCNJQLFZIHP-YJBOKZPZSA-N 0 0 343.427 2.149 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1cccs1 ZINC000096181107 463194370 /nfs/dbraw/zinc/19/43/70/463194370.db2.gz FOYHSDWDBSQVHU-DOMZBBRYSA-N 0 0 343.408 2.005 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000096181692 463194764 /nfs/dbraw/zinc/19/47/64/463194764.db2.gz MKAJWTZIUMECJS-IRXDYDNUSA-N 0 0 328.343 2.363 40 0 EEABRN Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3Cc2nccs2)cs1 ZINC000096184022 463195509 /nfs/dbraw/zinc/19/55/09/463195509.db2.gz USDUFMNFGJHHKN-OLZOCXBDSA-N 0 0 334.470 2.283 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)n1 ZINC000096184217 463195654 /nfs/dbraw/zinc/19/56/54/463195654.db2.gz OWZSDAPYFSROPZ-DLBZAZTESA-N 0 0 342.443 2.217 40 0 EEABRN CN(Cc1cn2c(n1)CN(Cc1cccnc1)CC2)Cc1cccnc1 ZINC000096197486 463203037 /nfs/dbraw/zinc/20/30/37/463203037.db2.gz DWNLBXFRMXIEIF-UHFFFAOYSA-N 0 0 348.454 2.321 40 0 EEABRN O=C(NCc1cn2c(n1)CN(Cc1ccc(F)cc1)CC2)C1CCC1 ZINC000096197433 463203421 /nfs/dbraw/zinc/20/34/21/463203421.db2.gz BJIPGPGWGIBINC-UHFFFAOYSA-N 0 0 342.418 2.454 40 0 EEABRN COC(=O)[C@@H]1CCCN1Cc1cn2cc(Br)ccc2n1 ZINC000079311379 463204502 /nfs/dbraw/zinc/20/45/02/463204502.db2.gz OQXRPEOQNYRBSG-LBPRGKRZSA-N 0 0 338.205 2.234 40 0 EEABRN COc1cccc(C[S@](=O)CC(=O)NCc2ccccc2OC)c1 ZINC000079324342 463206241 /nfs/dbraw/zinc/20/62/41/463206241.db2.gz BIQJCHSZRKPQRR-XMMPIXPASA-N 0 0 347.436 2.269 40 0 EEABRN CCOC[C@H]1Cn2cncc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096206541 463208730 /nfs/dbraw/zinc/20/87/30/463208730.db2.gz MNNKWUOTBWLVNC-GFCCVEGCSA-N 0 0 330.388 2.057 40 0 EEABRN CCOCC(=O)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nc(C)c(C)s2)C1 ZINC000096218240 463214846 /nfs/dbraw/zinc/21/48/46/463214846.db2.gz ZAHAMVZZADJHBK-KFWWJZLASA-N 0 0 338.473 2.202 40 0 EEABRN Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)cn1 ZINC000096218280 463215611 /nfs/dbraw/zinc/21/56/11/463215611.db2.gz PSDLVFZHACDFHZ-MJGOQNOKSA-N 0 0 347.459 2.106 40 0 EEABRN CC(C)NC(=O)N1CCC[C@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 ZINC000096223525 463219345 /nfs/dbraw/zinc/21/93/45/463219345.db2.gz GJYNGZYRXKXTFY-MJGOQNOKSA-N 0 0 346.475 2.255 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC2(CCN(Cc3nccs3)CC2)CO1 ZINC000096224912 463220734 /nfs/dbraw/zinc/22/07/34/463220734.db2.gz HLIMDXRKHXOMJT-AWEZNQCLSA-N 0 0 337.489 2.429 40 0 EEABRN c1nnc(N2CCOC[C@]3(CCCN(c4ccccn4)C3)C2)s1 ZINC000096229247 463222344 /nfs/dbraw/zinc/22/23/44/463222344.db2.gz JSKPDVDZOHKOIG-INIZCTEOSA-N 0 0 331.445 2.057 40 0 EEABRN O=C(NC1CC1)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096239623 463224364 /nfs/dbraw/zinc/22/43/64/463224364.db2.gz AKOHGPXZPORNMH-INIZCTEOSA-N 0 0 336.386 2.491 40 0 EEABRN Cc1cnc(N2CC[C@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)nc1 ZINC000096241225 463225920 /nfs/dbraw/zinc/22/59/20/463225920.db2.gz OLKRTROBOFKODJ-YJBOKZPZSA-N 0 0 344.390 2.459 40 0 EEABRN CCOc1cc(C(=O)NCc2nc(-c3cccs3)n[nH]2)ccn1 ZINC000096410146 463242630 /nfs/dbraw/zinc/24/26/30/463242630.db2.gz VNZBSVOFEZGYHZ-UHFFFAOYSA-N 0 0 329.385 2.257 40 0 EEABRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000096410969 463243634 /nfs/dbraw/zinc/24/36/34/463243634.db2.gz NWBXWYJFMULQAI-IAGOWNOFSA-N 0 0 349.394 2.015 40 0 EEABRN COC(=O)[C@@H](NCCc1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000096410426 463243680 /nfs/dbraw/zinc/24/36/80/463243680.db2.gz OXLCLKGAXKLDMI-INIZCTEOSA-N 0 0 346.814 2.485 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)Cc2csc(C(C)(C)C)n2)CCS1(=O)=O ZINC000096412819 463244742 /nfs/dbraw/zinc/24/47/42/463244742.db2.gz UEZPBVWOHGKADF-WDEREUQCSA-N 0 0 344.502 2.017 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000096423720 463254308 /nfs/dbraw/zinc/25/43/08/463254308.db2.gz WXJDANJWVHAQRA-BPLDGKMQSA-N 0 0 338.398 2.295 40 0 EEABRN Cc1ccc(N2CC[C@@H](N3CCC4(CC3)OC[C@@H](C)O4)C2=O)cc1 ZINC000096424481 463255121 /nfs/dbraw/zinc/25/51/21/463255121.db2.gz VUGIUMVEZBTXCR-NVXWUHKLSA-N 0 0 330.428 2.328 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3nccc4ccccc43)CC2)S1 ZINC000096426972 463256253 /nfs/dbraw/zinc/25/62/53/463256253.db2.gz DPDYUTDYVATMAB-ZDUSSCGKSA-N 0 0 340.452 2.484 40 0 EEABRN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2cccs2)[C@H](C)CO1 ZINC000096427623 463256842 /nfs/dbraw/zinc/25/68/42/463256842.db2.gz HGUBBYDQDKYGGB-JHJVBQTASA-N 0 0 330.475 2.239 40 0 EEABRN O=S(=O)(c1cccnc1)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000096428670 463257925 /nfs/dbraw/zinc/25/79/25/463257925.db2.gz ZDMXVLSCSJZKDD-OAHLLOKOSA-N 0 0 340.408 2.271 40 0 EEABRN COc1ccc(CCC(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000096429272 463258776 /nfs/dbraw/zinc/25/87/76/463258776.db2.gz UOQXFNOORVNYGA-UHFFFAOYSA-N 0 0 340.427 2.075 40 0 EEABRN C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096432920 463261168 /nfs/dbraw/zinc/26/11/68/463261168.db2.gz XPPIKJACBNOBQX-MRVPVSSYSA-N 0 0 345.746 2.377 40 0 EEABRN O=C(Nc1cccnc1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000096434111 463262408 /nfs/dbraw/zinc/26/24/08/463262408.db2.gz FPTGAITYAUELOA-UHFFFAOYSA-N 0 0 340.412 2.440 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@H](O)c1ccsc1 ZINC000096437276 463265139 /nfs/dbraw/zinc/26/51/39/463265139.db2.gz YDGXPKKBXJDFDV-INIZCTEOSA-N 0 0 345.399 2.465 40 0 EEABRN C[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)Cc1cccs1 ZINC000096440849 463267469 /nfs/dbraw/zinc/26/74/69/463267469.db2.gz VUDPWALPHDIDJL-CQSZACIVSA-N 0 0 345.472 2.249 40 0 EEABRN CC[C@H](Cc1ccc(C)cc1)NC(=O)c1c(C)c(C)nn(C)c1=O ZINC000096443168 463268678 /nfs/dbraw/zinc/26/86/78/463268678.db2.gz UUWPTUVZKAVGPR-MRXNPFEDSA-N 0 0 327.428 2.457 40 0 EEABRN CS(=O)(=O)CCCN(C#N)c1ccc(F)c(Br)c1 ZINC000096447837 463271198 /nfs/dbraw/zinc/27/11/98/463271198.db2.gz OVINKQVOYXELTC-UHFFFAOYSA-N 0 0 335.198 2.310 40 0 EEABRN Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000096449772 463271990 /nfs/dbraw/zinc/27/19/90/463271990.db2.gz JKNMJQHVQUTMBY-OZAJXLCCSA-N 0 0 344.436 2.489 40 0 EEABRN C[C@@](NC(=O)c1cscn1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454549 463273888 /nfs/dbraw/zinc/27/38/88/463273888.db2.gz OFTBKKRDAPBRFI-ZDUSSCGKSA-N 0 0 343.330 2.292 40 0 EEABRN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CCC[C@H]1CO ZINC000096454944 463275414 /nfs/dbraw/zinc/27/54/14/463275414.db2.gz PXUFXTDNLQUOFP-MLMJSJRWSA-N 0 0 336.335 2.303 40 0 EEABRN O=C(c1c(O)cnc2ccccc21)N1CCN(Cc2ccccn2)CC1 ZINC000096466369 463277806 /nfs/dbraw/zinc/27/78/06/463277806.db2.gz OGDCIVRHCFPDDE-UHFFFAOYSA-N 0 0 348.406 2.293 40 0 EEABRN O=c1[nH]nc(SCc2ccn(C3CCCC3)n2)n1C[C@@H]1CCCO1 ZINC000096476016 463279978 /nfs/dbraw/zinc/27/99/78/463279978.db2.gz MGIGYMDPAROUKU-AWEZNQCLSA-N 0 0 349.460 2.354 40 0 EEABRN CC(C)C(=O)NCCCNC(=O)c1c(F)cccc1Br ZINC000096485029 463283696 /nfs/dbraw/zinc/28/36/96/463283696.db2.gz QEMOBAHTYBSPTG-UHFFFAOYSA-N 0 0 345.212 2.480 40 0 EEABRN C[C@@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)N1CCSCC1 ZINC000096486914 463285317 /nfs/dbraw/zinc/28/53/17/463285317.db2.gz ZEBJMBBADHDHQP-HOCLYGCPSA-N 0 0 338.473 2.225 40 0 EEABRN CCCn1c(C)nnc1CN1CCN(CC(F)(F)F)CC1(C)C ZINC000096492557 463287857 /nfs/dbraw/zinc/28/78/57/463287857.db2.gz HPNDYTDHHVZFQV-UHFFFAOYSA-N 0 0 333.402 2.455 40 0 EEABRN CC(C)N1CC[C@@H](NC(=O)N(C)CCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499876 463290715 /nfs/dbraw/zinc/29/07/15/463290715.db2.gz SKHMCXAYNBGJHE-CVEARBPZSA-N 0 0 341.402 2.122 40 0 EEABRN Cn1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2O)c(-c2ccccc2)n1 ZINC000096501411 463291212 /nfs/dbraw/zinc/29/12/12/463291212.db2.gz CBOYRPNSPKXRPK-CVEARBPZSA-N 0 0 328.416 2.190 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1SCCc2sccc21 ZINC000080263812 463302312 /nfs/dbraw/zinc/30/23/12/463302312.db2.gz NSGZBGZVZNLMMM-IUODEOHRSA-N 0 0 340.514 2.306 40 0 EEABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000138783168 463313644 /nfs/dbraw/zinc/31/36/44/463313644.db2.gz VPYPTUGEKOAHAC-LSYCTJJYSA-N 0 0 328.364 2.307 40 0 EEABRN CN(C)c1ccnc(C(=O)NCCc2nc3c(cccc3F)n2C)c1 ZINC000097101892 463323658 /nfs/dbraw/zinc/32/36/58/463323658.db2.gz PZJLWEXGPKYVLE-UHFFFAOYSA-N 0 0 341.390 2.146 40 0 EEABRN CCc1nn(C)cc1CN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000097235388 463352272 /nfs/dbraw/zinc/35/22/72/463352272.db2.gz NFFLATUBZQLJDP-UHFFFAOYSA-N 0 0 326.444 2.249 40 0 EEABRN COC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000097380055 463358675 /nfs/dbraw/zinc/35/86/75/463358675.db2.gz XTJLDGRYAIZPAN-GFCCVEGCSA-N 0 0 345.374 2.450 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000080939083 463369828 /nfs/dbraw/zinc/36/98/28/463369828.db2.gz KPYICYSMLKGFOM-UHFFFAOYSA-N 0 0 343.406 2.344 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 ZINC000100155769 463372354 /nfs/dbraw/zinc/37/23/54/463372354.db2.gz AFJDHCMMZZGFOA-BETUJISGSA-N 0 0 330.388 2.168 40 0 EEABRN C[C@H](NC(=O)c1ccccc1)C(=O)/N=c1/sc2ccccc2n1C ZINC000103040204 463394252 /nfs/dbraw/zinc/39/42/52/463394252.db2.gz MIOHSDUPXSWLLH-AFUCRDJGSA-N 0 0 339.420 2.486 40 0 EEABRN COc1cccc(C[C@@H](C)NC(=O)C2(O)Cc3ccccc3C2)c1 ZINC000081393045 463432278 /nfs/dbraw/zinc/43/22/78/463432278.db2.gz PSTVJLAMWNLCEK-CQSZACIVSA-N 0 0 325.408 2.272 40 0 EEABRN O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040386570 463454192 /nfs/dbraw/zinc/45/41/92/463454192.db2.gz BBCCCKGVCKWUOX-SSDOTTSWSA-N 0 0 340.170 2.182 40 0 EEABRN O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2ccccc2)cc1 ZINC000040166949 463454708 /nfs/dbraw/zinc/45/47/08/463454708.db2.gz LZQPYRUEAPSCKI-CVEARBPZSA-N 0 0 328.393 2.049 40 0 EEABRN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(N)=O)cc3)cc2c1 ZINC000040949292 463465859 /nfs/dbraw/zinc/46/58/59/463465859.db2.gz JVJLFIRPDYDBMN-UHFFFAOYSA-N 0 0 338.319 2.153 40 0 EEABRN CON(C)C(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21Nc2ccccc2C(=O)N1 ZINC000072326498 463509634 /nfs/dbraw/zinc/50/96/34/463509634.db2.gz DHDDBOMHBRCFDC-VOQHCJDSSA-N 0 0 343.427 2.384 40 0 EEABRN COc1ccc2c(c1)C=C(CN(CCO)Cc1cccnc1)CO2 ZINC000057796949 463519690 /nfs/dbraw/zinc/51/96/90/463519690.db2.gz JTJQENOXSIZUOR-UHFFFAOYSA-N 0 0 326.396 2.361 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000058019075 463535942 /nfs/dbraw/zinc/53/59/42/463535942.db2.gz MSAUTVZZQYTUIZ-BLLLJJGKSA-N 0 0 347.415 2.183 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000110579228 463659113 /nfs/dbraw/zinc/65/91/13/463659113.db2.gz JWWUBIPOMQMMQX-KKUMJFAQSA-N 0 0 339.457 2.101 40 0 EEABRN COC(=O)C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC000044192322 463669513 /nfs/dbraw/zinc/66/95/13/463669513.db2.gz OVNOUEWFPPSWQL-UHFFFAOYSA-N 0 0 335.400 2.048 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)C4CCOCC4)CC3)ccn2n1 ZINC000257278967 463758639 /nfs/dbraw/zinc/75/86/39/463758639.db2.gz OEKRKGUJDPDSAE-UHFFFAOYSA-N 0 0 328.416 2.170 40 0 EEABRN Cn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)C3CCC3)C2)n1 ZINC000257290139 463763988 /nfs/dbraw/zinc/76/39/88/463763988.db2.gz QBSSLDOUHBBVKU-ZDUSSCGKSA-N 0 0 325.416 2.068 40 0 EEABRN CC(C)c1n[nH]cc1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000193968350 463766383 /nfs/dbraw/zinc/76/63/83/463766383.db2.gz XTCQIQMELXGQCC-UHFFFAOYSA-N 0 0 339.193 2.247 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC(Cc2ccnc(C)c2)CC1 ZINC000257300749 463769069 /nfs/dbraw/zinc/76/90/69/463769069.db2.gz RVOHTZOXJCSGGW-UHFFFAOYSA-N 0 0 325.478 2.231 40 0 EEABRN O=C(CCc1ccccc1F)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257318535 463776245 /nfs/dbraw/zinc/77/62/45/463776245.db2.gz VOHUIWBJGQQDAI-QZTJIDSGSA-N 0 0 329.371 2.409 40 0 EEABRN Nc1nccnc1[C@H]1CN(C(=O)c2cc3ccccc3s2)CCO1 ZINC000257319052 463776695 /nfs/dbraw/zinc/77/66/95/463776695.db2.gz VQLTZGXBSCGTJT-GFCCVEGCSA-N 0 0 340.408 2.487 40 0 EEABRN CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1c1ccccc1 ZINC000257328301 463780187 /nfs/dbraw/zinc/78/01/87/463780187.db2.gz XFBLTCDBYAILFP-SFHVURJKSA-N 0 0 347.422 2.396 40 0 EEABRN Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257334268 463782758 /nfs/dbraw/zinc/78/27/58/463782758.db2.gz YFEYMBASJKQNHL-ZDUSSCGKSA-N 0 0 326.400 2.327 40 0 EEABRN Cc1cc(N2CCC[C@H](Cc3nccnc3-c3cncn3C)C2)ncn1 ZINC000257336583 463784166 /nfs/dbraw/zinc/78/41/66/463784166.db2.gz YPBPAUIEYBQJBM-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257340983 463786363 /nfs/dbraw/zinc/78/63/63/463786363.db2.gz ZIJKTOJTQQWSKE-KRWDZBQOSA-N 0 0 325.416 2.466 40 0 EEABRN CN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257343207 463787570 /nfs/dbraw/zinc/78/75/70/463787570.db2.gz ZRXFIJKEPPAUGR-AWEZNQCLSA-N 0 0 336.399 2.094 40 0 EEABRN Nc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000186012504 463921153 /nfs/dbraw/zinc/92/11/53/463921153.db2.gz JXSSQBZCELAJOK-OAHLLOKOSA-N 0 0 349.431 2.355 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)Nc2ccnc3ccnn32)[C@H]1c1ccccc1 ZINC000171996525 463964539 /nfs/dbraw/zinc/96/45/39/463964539.db2.gz FLRCPXWVOQWMEC-KBXCAEBGSA-N 0 0 349.394 2.278 40 0 EEABRN Cc1ccc([C@@H]2COCCN2C(=O)NCCc2c(C)nn(C)c2C)o1 ZINC000172057633 463979603 /nfs/dbraw/zinc/97/96/03/463979603.db2.gz KAFBZWUPFSNZOR-INIZCTEOSA-N 0 0 346.431 2.264 40 0 EEABRN CN(CCC(=O)NC1CC1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000195531241 464072409 /nfs/dbraw/zinc/07/24/09/464072409.db2.gz BVBMBWKVFWNXRJ-FXAWDEMLSA-N 0 0 326.440 2.408 40 0 EEABRN Cc1ccccc1-c1cc(NC(=O)Cn2nnnc2C(C)C)n[nH]1 ZINC000195532866 464073575 /nfs/dbraw/zinc/07/35/75/464073575.db2.gz RHPZZCMFCPDOSF-UHFFFAOYSA-N 0 0 325.376 2.134 40 0 EEABRN Cc1ccc(C)c([C@@H]([NH2+]CCO)c2cccc(S(C)(=O)=O)c2)c1 ZINC000195553423 464076305 /nfs/dbraw/zinc/07/63/05/464076305.db2.gz JSZISWOMDXGVPY-SFHVURJKSA-N 0 0 333.453 2.378 40 0 EEABRN CC(C)c1noc(CCNC(=O)N2CCC([C@@H]3CCCO3)CC2)n1 ZINC000195573784 464078580 /nfs/dbraw/zinc/07/85/80/464078580.db2.gz HWHGOWFYIJIFOM-AWEZNQCLSA-N 0 0 336.436 2.336 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccc(Cl)cc2)cc1 ZINC000214341962 464106161 /nfs/dbraw/zinc/10/61/61/464106161.db2.gz YOLKHJVBLDIPPY-GJZGRUSLSA-N 0 0 329.787 2.123 40 0 EEABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 ZINC000223036934 464136149 /nfs/dbraw/zinc/13/61/49/464136149.db2.gz PUFFRYHMZPBZAH-UHFFFAOYSA-N 0 0 348.424 2.466 40 0 EEABRN Cc1cc(C)cc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 ZINC000224178448 464148625 /nfs/dbraw/zinc/14/86/25/464148625.db2.gz BMMNKUZGBHDTMH-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN CCCCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224897376 464152836 /nfs/dbraw/zinc/15/28/36/464152836.db2.gz VJPUBGAUNMQELM-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN Cc1ccc(O[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)nn1 ZINC000225466418 464162299 /nfs/dbraw/zinc/16/22/99/464162299.db2.gz QARMMJOASOTQCW-LBPRGKRZSA-N 0 0 339.442 2.079 40 0 EEABRN Cc1noc(C(C)(C)NC(=O)Nc2cc([C@@H]3CCCO3)nn2C)n1 ZINC000225483991 464165223 /nfs/dbraw/zinc/16/52/23/464165223.db2.gz JRIUJFNZVMASRD-NSHDSACASA-N 0 0 334.380 2.020 40 0 EEABRN COc1ccccc1N1CCC[C@H](NC(=O)c2snnc2C)C1 ZINC000225558041 464171720 /nfs/dbraw/zinc/17/17/20/464171720.db2.gz FVHJQXARAMCJPW-LBPRGKRZSA-N 0 0 332.429 2.254 40 0 EEABRN CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 ZINC000225601969 464174896 /nfs/dbraw/zinc/17/48/96/464174896.db2.gz UCVMVECPMQDWJD-GOSISDBHSA-N 0 0 336.432 2.151 40 0 EEABRN O=S(=O)(C1CCCCC1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000225664145 464177901 /nfs/dbraw/zinc/17/79/01/464177901.db2.gz BVIAPDGCIZJRQS-UHFFFAOYSA-N 0 0 346.456 2.464 40 0 EEABRN Cc1cc2nnc(SCCCN3CC[NH+](C(C)C)CC3)n2c(C)n1 ZINC000188295821 464246689 /nfs/dbraw/zinc/24/66/89/464246689.db2.gz WAIKIFASFQZQFD-UHFFFAOYSA-N 0 0 348.520 2.249 40 0 EEABRN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000245634585 464500642 /nfs/dbraw/zinc/50/06/42/464500642.db2.gz VZHPQFWMOSRKDG-ZWKOTPCHSA-N 0 0 328.387 2.296 40 0 EEABRN Cn1cncc1CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000182577054 464685728 /nfs/dbraw/zinc/68/57/28/464685728.db2.gz YDKBXMBJWWTRDN-AWEZNQCLSA-N 0 0 338.333 2.112 40 0 EEABRN COc1ccc(CC(=O)N2CC3(C2)C[C@@H](OCC2CC2)CCO3)cc1 ZINC000247930711 464715321 /nfs/dbraw/zinc/71/53/21/464715321.db2.gz RXUNNESXJDBJOH-SFHVURJKSA-N 0 0 345.439 2.424 40 0 EEABRN Cc1csc(CN2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)n1 ZINC000247965857 464718051 /nfs/dbraw/zinc/71/80/51/464718051.db2.gz QNVQRBHHJVGRBC-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN Cc1ccc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)o1 ZINC000248080067 464727750 /nfs/dbraw/zinc/72/77/50/464727750.db2.gz IMMJRMMRWYNSSP-AWEZNQCLSA-N 0 0 330.432 2.428 40 0 EEABRN COCc1noc(CN2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)n1 ZINC000191133769 464781793 /nfs/dbraw/zinc/78/17/93/464781793.db2.gz KOMBCTYHOQQWLO-JKSUJKDBSA-N 0 0 334.464 2.326 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](Cc1ccccc1)C(C)C ZINC000191160796 464788501 /nfs/dbraw/zinc/78/85/01/464788501.db2.gz PWVJRJPSOYMFMH-IAGOWNOFSA-N 0 0 331.460 2.421 40 0 EEABRN C[C@H](C[S@@](C)=O)N(C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000248721152 464792192 /nfs/dbraw/zinc/79/21/92/464792192.db2.gz GPSHNAMNXXLFIK-XTCJLCLGSA-N 0 0 326.437 2.020 40 0 EEABRN CO[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000282523611 464850677 /nfs/dbraw/zinc/85/06/77/464850677.db2.gz LYWBVJHJFFXPEB-GXTWGEPZSA-N 0 0 325.430 2.200 40 0 EEABRN C[C@H]1CN(C(=O)NCc2ccc(C(F)F)cc2)CCS(=O)(=O)C1 ZINC000192206466 464885132 /nfs/dbraw/zinc/88/51/32/464885132.db2.gz HKEQIMJCBKNDBK-NSHDSACASA-N 0 0 346.399 2.200 40 0 EEABRN CCc1onc(C)c1NC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000192374457 464914996 /nfs/dbraw/zinc/91/49/96/464914996.db2.gz GPSXGRIKJLCJTE-CQSZACIVSA-N 0 0 333.392 2.367 40 0 EEABRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCOC1 ZINC000252501498 464972427 /nfs/dbraw/zinc/97/24/27/464972427.db2.gz UGOGXKSSTBYYNS-MFKMUULPSA-N 0 0 325.206 2.448 40 0 EEABRN C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(N(C)C)c2ccccc2n1 ZINC000253408047 465003395 /nfs/dbraw/zinc/00/33/95/465003395.db2.gz TZLHBPJVDMVUSR-MYODQAERSA-N 0 0 333.457 2.140 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2ccn(Cc3ccccc3)n2)C[C@H](C)O1 ZINC000253416491 465004332 /nfs/dbraw/zinc/00/43/32/465004332.db2.gz HKUJIHWXGGQHJZ-GASCZTMLSA-N 0 0 328.416 2.250 40 0 EEABRN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000253419461 465007460 /nfs/dbraw/zinc/00/74/60/465007460.db2.gz UNVVRPHBUHGXFI-YESZJQIVSA-N 0 0 342.418 2.448 40 0 EEABRN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000253432220 465014460 /nfs/dbraw/zinc/01/44/60/465014460.db2.gz XFVDGOJVFYYHLD-QWHCGFSZSA-N 0 0 349.387 2.334 40 0 EEABRN CC[C@H]1CN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)CCS1 ZINC000253431590 465014509 /nfs/dbraw/zinc/01/45/09/465014509.db2.gz SNCDYTYEATYCBM-HNNXBMFYSA-N 0 0 336.457 2.486 40 0 EEABRN Cc1ccc(-c2csc(Cn3nnc4c(cnn4C)c3=O)n2)cc1 ZINC000349263055 466043734 /nfs/dbraw/zinc/04/37/34/466043734.db2.gz WKIFJBJSHRJXMC-UHFFFAOYSA-N 0 0 338.396 2.005 40 0 EEABRN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)CCO2)[nH]1 ZINC000367071365 466110445 /nfs/dbraw/zinc/11/04/45/466110445.db2.gz JUNIGGYMTQWUDO-QWRGUYRKSA-N 0 0 328.363 2.093 40 0 EEABRN CC(C)c1nc(CCNC(=O)Nc2ncn(C(C)(C)C)n2)cs1 ZINC000332263976 466478410 /nfs/dbraw/zinc/47/84/10/466478410.db2.gz AXQCXZWWZGRVJR-UHFFFAOYSA-N 0 0 336.465 2.977 40 0 EEABRN CN(C)C(=O)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306133881 466491732 /nfs/dbraw/zinc/49/17/32/466491732.db2.gz MYMOVKVHAKYDIJ-AWEZNQCLSA-N 0 0 342.447 2.191 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000306134909 466491824 /nfs/dbraw/zinc/49/18/24/466491824.db2.gz OBJCHEFYMOEXFG-HNNXBMFYSA-N 0 0 330.388 2.193 40 0 EEABRN O=C(Cc1ccccc1O[C@H]1CCOC1)Nc1cc(C2CC2)[nH]n1 ZINC000582102848 468503684 /nfs/dbraw/zinc/50/36/84/468503684.db2.gz LMZOAYTWXILSLY-AWEZNQCLSA-N 0 0 327.384 2.636 40 0 EEABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1 ZINC000408556707 466681490 /nfs/dbraw/zinc/68/14/90/466681490.db2.gz JGXJSWIUSJXBFY-UHFFFAOYSA-N 0 0 335.385 2.129 40 0 EEABRN CCN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2O)C1=O ZINC000409240059 466686709 /nfs/dbraw/zinc/68/67/09/466686709.db2.gz JGNRZIONCROSOK-WEVVVXLNSA-N 0 0 341.161 2.076 40 0 EEABRN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cc(C2CC2)no1 ZINC000374136438 467008187 /nfs/dbraw/zinc/00/81/87/467008187.db2.gz LEPYBKJUEIZRDD-INIZCTEOSA-N 0 0 343.358 2.313 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cn1 ZINC000390830201 467413455 /nfs/dbraw/zinc/41/34/55/467413455.db2.gz JLCJCVORULOEOT-OAHLLOKOSA-N 0 0 341.415 2.425 40 0 EEABRN Cc1cc(C(=O)N[C@H](CCO)c2ccccc2Br)[nH]n1 ZINC000390833599 467414018 /nfs/dbraw/zinc/41/40/18/467414018.db2.gz JYGSKCBSUANGOD-GFCCVEGCSA-N 0 0 338.205 2.334 40 0 EEABRN Cc1nc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cs1 ZINC000575414392 468142477 /nfs/dbraw/zinc/14/24/77/468142477.db2.gz CQICZZDOSRPJKV-MRVPVSSYSA-N 0 0 345.350 2.098 40 0 EEABRN CCOCC(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414692 468143868 /nfs/dbraw/zinc/14/38/68/468143868.db2.gz JFJLVQBDSBBHDO-AWEZNQCLSA-N 0 0 345.848 2.065 40 0 EEABRN COc1nc(CNC(=O)c2ccccc2C)nc(N2CCCCC2)n1 ZINC000575604368 468145989 /nfs/dbraw/zinc/14/59/89/468145989.db2.gz XVWXITBSMVDTQQ-UHFFFAOYSA-N 0 0 341.415 2.109 40 0 EEABRN CCn1c(-c2ncccn2)nnc1N1CC[C@H](Oc2ccccc2)C1 ZINC000578748134 468250001 /nfs/dbraw/zinc/25/00/01/468250001.db2.gz KUZDZRSOKLXYPL-HNNXBMFYSA-N 0 0 336.399 2.413 40 0 EEABRN Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2Cc2ccco2)n1 ZINC000585094752 468963771 /nfs/dbraw/zinc/96/37/71/468963771.db2.gz KNQCBVASDXEHHW-CQSZACIVSA-N 0 0 339.399 2.117 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1ccccc1F)[C@@H]2C ZINC000585097121 468965755 /nfs/dbraw/zinc/96/57/55/468965755.db2.gz FYWOPJQCNRNIAI-CYBMUJFWSA-N 0 0 331.391 2.357 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000585099065 468966975 /nfs/dbraw/zinc/96/69/75/468966975.db2.gz HLBJKTXXORIKDG-PSKZRQQASA-N 0 0 343.452 2.358 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000585100912 468968272 /nfs/dbraw/zinc/96/82/72/468968272.db2.gz FWCVUBIVDQJWRR-JRSKDTKFSA-N 0 0 331.391 2.175 40 0 EEABRN CN(C)C(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000585102700 468969950 /nfs/dbraw/zinc/96/99/50/468969950.db2.gz GTCOVCLOFJCAND-APWZRJJASA-N 0 0 332.419 2.475 40 0 EEABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccoc1)C2)c1ccco1 ZINC000585102642 468970729 /nfs/dbraw/zinc/97/07/29/468970729.db2.gz DHHMRSKDMHYKMC-OAHLLOKOSA-N 0 0 330.384 2.284 40 0 EEABRN Cc1nocc1C(=O)N1CC[C@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC000585106921 468972108 /nfs/dbraw/zinc/97/21/08/468972108.db2.gz LHQWRJVXBJZHMK-QFBILLFUSA-N 0 0 339.395 2.071 40 0 EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000585112909 468976482 /nfs/dbraw/zinc/97/64/82/468976482.db2.gz YFSUCVXLHMWNHO-OAHLLOKOSA-N 0 0 347.463 2.008 40 0 EEABRN NC(=O)[C@@H]1CCN(c2ncc(Br)c3ccc(F)cc32)C1 ZINC000585140828 468990138 /nfs/dbraw/zinc/99/01/38/468990138.db2.gz JWIZQDIVEVDUBR-MRVPVSSYSA-N 0 0 338.180 2.448 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)c2cnco2)[C@H]1Cc1ccccc1 ZINC000585269099 468997645 /nfs/dbraw/zinc/99/76/45/468997645.db2.gz KBQPLSKSZBBCPL-HOTGVXAUSA-N 0 0 327.384 2.027 40 0 EEABRN Cc1ccnc(CC(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)c1 ZINC000585277483 469002409 /nfs/dbraw/zinc/00/24/09/469002409.db2.gz VMNJTLSMIZEOAF-LJQANCHMSA-N 0 0 344.386 2.114 40 0 EEABRN COc1cccc(F)c1CN1CCC[C@@](O)(CCC(=O)N(C)C)C1 ZINC000585279099 469004613 /nfs/dbraw/zinc/00/46/13/469004613.db2.gz SVESUJFFIUJRSD-GOSISDBHSA-N 0 0 338.423 2.030 40 0 EEABRN CO[C@H]1CN(C(=O)CCCn2cncn2)CC[C@@H]1Cc1ccccc1 ZINC000585281570 469007614 /nfs/dbraw/zinc/00/76/14/469007614.db2.gz ZUOZKOFGQWKKNU-MSOLQXFVSA-N 0 0 342.443 2.165 40 0 EEABRN Cc1c(Cl)cnc(NC(=S)NCCN2CCOCC2)c1Cl ZINC000223891919 485533931 /nfs/dbraw/zinc/53/39/31/485533931.db2.gz WJFXRYLRUXTFOL-UHFFFAOYSA-N 0 0 349.287 2.315 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000390827242 485668382 /nfs/dbraw/zinc/66/83/82/485668382.db2.gz VJHZFQXDOKGBBG-ZDUSSCGKSA-N 0 0 340.383 2.014 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3c[nH]cn3)cc2)n1 ZINC000096461238 534099593 /nfs/dbraw/zinc/09/95/93/534099593.db2.gz LHUJJQIAEWYZTI-ZDUSSCGKSA-N 0 0 345.428 2.252 40 0 EEABRN O=C(CCc1ccccc1)N1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000095404137 534467660 /nfs/dbraw/zinc/46/76/60/534467660.db2.gz YNPJQZWUUSKNOY-MRXNPFEDSA-N 0 0 332.469 2.186 40 0 EEABRN CCO[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000390834055 520246888 /nfs/dbraw/zinc/24/68/88/520246888.db2.gz RAQJYZPTNOHFMH-OAHLLOKOSA-N 0 0 334.397 2.050 40 0 EEABRN CCC(=O)N1CC[C@@H](NC(=O)NCc2c(F)c(F)cc(F)c2F)C1 ZINC000096475284 521136734 /nfs/dbraw/zinc/13/67/34/521136734.db2.gz KWUTVVUFOPNLLM-MRVPVSSYSA-N 0 0 347.312 2.053 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2cccc3ccccc32)n1 ZINC000096413586 526603689 /nfs/dbraw/zinc/60/36/89/526603689.db2.gz IHMLOSLCVZNVNN-UHFFFAOYSA-N 0 0 338.367 2.219 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H]2O[C@@H](COCC3CCOCC3)CC[C@@H]21 ZINC000096186713 526832475 /nfs/dbraw/zinc/83/24/75/526832475.db2.gz ULRQJUGYPBNUSL-IKGGRYGDSA-N 0 0 349.427 2.485 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(C)CC1 ZINC000408707396 527727624 /nfs/dbraw/zinc/72/76/24/527727624.db2.gz ADQSRFBZIBZNQN-UHFFFAOYSA-N 0 0 345.443 2.458 40 0 EEABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccccc1 ZINC000225411033 535884218 /nfs/dbraw/zinc/88/42/18/535884218.db2.gz FGSDNBKTRXVOAB-INIZCTEOSA-N 0 0 332.425 2.476 40 0 EEABRN CCc1ccccc1NC(=O)NCc1ccnc(N2CCOCC2)n1 ZINC000211102175 535956456 /nfs/dbraw/zinc/95/64/56/535956456.db2.gz ZQTYVJXZDYIVOF-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 ZINC000257208574 536421684 /nfs/dbraw/zinc/42/16/84/536421684.db2.gz BMSMFNSLOCDJTL-AWEZNQCLSA-N 0 0 340.431 2.102 40 0 EEABRN COc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CC2)n1 ZINC000226002710 536833725 /nfs/dbraw/zinc/83/37/25/536833725.db2.gz NYHJIFYVHCBMSF-UHFFFAOYSA-N 0 0 341.440 2.454 40 0 EEABRN CC1=NN(C(=O)c2cc(Br)ccc2O)[C@](O)(C(F)F)C1 ZINC000013989304 1352319623 /nfs/dbraw/zinc/31/96/23/1352319623.db2.gz XDVMIHIIROKDKR-GFCCVEGCSA-N 0 0 349.131 2.330 40 0 EEABRN Cc1cc(C)n(CCCNS(=O)(=O)c2cccc3cccnc32)n1 ZINC000014238253 1352320136 /nfs/dbraw/zinc/32/01/36/1352320136.db2.gz DZQBJKPHONPYDF-UHFFFAOYSA-N 0 0 344.440 2.417 40 0 EEABRN Cc1nc(C2(NC(=O)C3=NO[C@H](c4ccccc4)C3)CCC2)no1 ZINC000097695054 219048430 /nfs/dbraw/zinc/04/84/30/219048430.db2.gz RBHZJBKPFBFAIH-AWEZNQCLSA-N 0 0 326.356 2.391 40 0 EEABRN CCc1cnc(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)o1 ZINC000095414827 529654741 /nfs/dbraw/zinc/65/47/41/529654741.db2.gz WJBPLQDANHRFLU-CYBMUJFWSA-N 0 0 329.400 2.446 40 0 EEABRN C[C@H](NC(=O)Cn1c(=O)onc1-c1cccs1)c1ccccc1 ZINC000060212804 214629984 /nfs/dbraw/zinc/62/99/84/214629984.db2.gz ZHFACFMXFLTNRI-NSHDSACASA-N 0 0 329.381 2.442 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(N)c1 ZINC000100724172 219105165 /nfs/dbraw/zinc/10/51/65/219105165.db2.gz HXIMUTJOOQMMLY-UHFFFAOYSA-N 0 0 335.385 2.037 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3ccc(C=O)cc3)CC2)cs1 ZINC000065492011 214931073 /nfs/dbraw/zinc/93/10/73/214931073.db2.gz AIPQHRDFPJMIMX-UHFFFAOYSA-N 0 0 329.425 2.222 40 0 EEABRN CC(C)n1c2nc(-c3ccc4ncccc4c3)nc(C(N)=O)c2[nH]c1=O ZINC000012117979 201825524 /nfs/dbraw/zinc/82/55/24/201825524.db2.gz WXIJFDRWCPMCIK-UHFFFAOYSA-N 0 0 348.366 2.015 40 0 EEABRN COCCN(c1ccncc1)S(=O)(=O)c1cccc(OC)c1F ZINC000585091137 539980679 /nfs/dbraw/zinc/98/06/79/539980679.db2.gz HYFXYVOGJKLLNV-UHFFFAOYSA-N 0 0 340.376 2.071 40 0 EEABRN CCOC(=O)c1n[nH]cc1CN(C)Cc1nnc(-c2ccccc2)o1 ZINC000019530690 202009954 /nfs/dbraw/zinc/00/99/54/202009954.db2.gz QEGRKKJGKWIWQS-UHFFFAOYSA-N 0 0 341.371 2.268 40 0 EEABRN CCc1nnc(NC(=O)c2c(C)nnn2-c2ccc(F)cc2)s1 ZINC000019523680 202010480 /nfs/dbraw/zinc/01/04/80/202010480.db2.gz CPVGHUQRINGRDZ-UHFFFAOYSA-N 0 0 332.364 2.381 40 0 EEABRN O=C(c1ccc2nsnc2c1)N1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000019748103 202018482 /nfs/dbraw/zinc/01/84/82/202018482.db2.gz WREXSYWTSBDCRO-CYBMUJFWSA-N 0 0 344.440 2.166 40 0 EEABRN COC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 ZINC000019937264 202028348 /nfs/dbraw/zinc/02/83/48/202028348.db2.gz TYDQDKJNDWDJJB-UHFFFAOYSA-N 0 0 349.346 2.476 40 0 EEABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccccn1)cn2C ZINC000022237137 202081100 /nfs/dbraw/zinc/08/11/00/202081100.db2.gz JRIHZSOASCJXLK-UHFFFAOYSA-N 0 0 337.379 2.262 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000040025475 202166588 /nfs/dbraw/zinc/16/65/88/202166588.db2.gz UATZYBUCBQOHCN-IQIBNGDESA-N 0 0 329.396 2.436 40 0 EEABRN CCOC(=O)[C@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000039990561 202166656 /nfs/dbraw/zinc/16/66/56/202166656.db2.gz TVNGFZJQFIDZIY-XJKSGUPXSA-N 0 0 336.407 2.421 40 0 EEABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C=O)CC1 ZINC000030850905 202199002 /nfs/dbraw/zinc/19/90/02/202199002.db2.gz SPQMCXWSSCMDGH-GOSISDBHSA-N 0 0 326.396 2.298 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C ZINC000030319013 202194955 /nfs/dbraw/zinc/19/49/55/202194955.db2.gz OQLUHPJFQWCGGA-CYBMUJFWSA-N 0 0 349.408 2.122 40 0 EEABRN O=C(NCCc1cccc(Cl)c1)N1CCC[C@@H](OCCO)C1 ZINC000187172184 236136511 /nfs/dbraw/zinc/13/65/11/236136511.db2.gz CZVNPIGAESCSIA-OAHLLOKOSA-N 0 0 326.824 2.065 40 0 EEABRN CN1C(SCc2cccc(Cl)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508728 202225960 /nfs/dbraw/zinc/22/59/60/202225960.db2.gz MPSQXTNDESPRKD-NEPJUHHUSA-N 0 0 330.862 2.040 40 0 EEABRN CN1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508651 202226071 /nfs/dbraw/zinc/22/60/71/202226071.db2.gz HBUPLPCPMYKVIV-VXGBXAGGSA-N 0 0 348.852 2.179 40 0 EEABRN Cc1ccnn1CC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000071195781 202342987 /nfs/dbraw/zinc/34/29/87/202342987.db2.gz UTXNKUGHOHBUGJ-MRXNPFEDSA-N 0 0 348.410 2.237 40 0 EEABRN CN(Cc1ncnn1C)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000073390569 202369448 /nfs/dbraw/zinc/36/94/48/202369448.db2.gz BIKMRKOEZSAGJX-UHFFFAOYSA-N 0 0 329.187 2.159 40 0 EEABRN CCc1ccc(-n2cc3[nH]c(N4CCC(O)CC4)ncc-3c2=O)cc1 ZINC000072260019 202358925 /nfs/dbraw/zinc/35/89/25/202358925.db2.gz JLBJDFSRHZZILH-UHFFFAOYSA-N 0 0 338.411 2.161 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2oc1=O ZINC000072264787 202358936 /nfs/dbraw/zinc/35/89/36/202358936.db2.gz ZORNXEILGWNDDA-VXGBXAGGSA-N 0 0 338.429 2.281 40 0 EEABRN CCn1nc(C)c(NC(=O)c2cc(Cl)ccc2OC)c1C(N)=O ZINC000072265463 202359680 /nfs/dbraw/zinc/35/96/80/202359680.db2.gz IPYWZSOEBBUGKM-UHFFFAOYSA-N 0 0 336.779 2.225 40 0 EEABRN Cc1ccc(Oc2ccc(C(=O)NCCN3CCOCC3)o2)cc1 ZINC000072260095 202360060 /nfs/dbraw/zinc/36/00/60/202360060.db2.gz FMNFNHZEVMJHRN-UHFFFAOYSA-N 0 0 330.384 2.442 40 0 EEABRN C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000078554009 202396411 /nfs/dbraw/zinc/39/64/11/202396411.db2.gz CBQTUIZSOIHRHJ-JCQPUDPBSA-N 0 0 333.457 2.424 40 0 EEABRN O=C(CCc1ccc(C(F)(F)F)cc1)NCC(=O)N1CCCC1 ZINC000078615135 202398580 /nfs/dbraw/zinc/39/85/80/202398580.db2.gz LSMDLTODQHYHPP-UHFFFAOYSA-N 0 0 328.334 2.377 40 0 EEABRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000076948637 202388427 /nfs/dbraw/zinc/38/84/27/202388427.db2.gz YMSCYNJRGLOUGU-ZRUHOGSISA-N 0 0 344.864 2.270 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)Nc2ccccc2OCC2CC2)c1C ZINC000076932782 202389287 /nfs/dbraw/zinc/38/92/87/202389287.db2.gz YVPQCRJHFDCPFR-UHFFFAOYSA-N 0 0 327.384 2.438 40 0 EEABRN O=C(Cc1cccc(O)c1)NCc1ccccc1CN1CCCC1=O ZINC000078394340 202390802 /nfs/dbraw/zinc/39/08/02/202390802.db2.gz ZKDQOZVXBXFKGY-UHFFFAOYSA-N 0 0 338.407 2.374 40 0 EEABRN Cc1csc(NC(=O)C2CCN(C(=O)c3cc(C)on3)CC2)n1 ZINC000077613315 202392535 /nfs/dbraw/zinc/39/25/35/202392535.db2.gz ZSTLLAJXCYBUMN-UHFFFAOYSA-N 0 0 334.401 2.239 40 0 EEABRN Cc1nc(CN2CCN(C(=O)CCCc3cccs3)CC2)no1 ZINC000079001509 202417629 /nfs/dbraw/zinc/41/76/29/202417629.db2.gz QMUSYVSWONBQJJ-UHFFFAOYSA-N 0 0 334.445 2.107 40 0 EEABRN C[C@H](C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)C(C)(C)C ZINC000079359947 202435788 /nfs/dbraw/zinc/43/57/88/202435788.db2.gz YZQZAKPYFRSULO-GFCCVEGCSA-N 0 0 329.404 2.004 40 0 EEABRN COc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1OCCO ZINC000281480113 201327031 /nfs/dbraw/zinc/32/70/31/201327031.db2.gz GTKSXXSNQWSAFO-LBPRGKRZSA-N 0 0 345.399 2.486 40 0 EEABRN CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCCCO1 ZINC000282806129 201330388 /nfs/dbraw/zinc/33/03/88/201330388.db2.gz IWMKYNXGSGWOKC-UHFFFAOYSA-N 0 0 341.433 2.323 40 0 EEABRN CCN(Cc1ccccn1)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193476188 240178411 /nfs/dbraw/zinc/17/84/11/240178411.db2.gz VYDNDLCKIRWYIE-UHFFFAOYSA-N 0 0 346.452 2.411 40 0 EEABRN CCOC(=O)n1c2ccccc2nc1S[C@H]1CCS(=O)(=O)C1 ZINC000217357775 241246021 /nfs/dbraw/zinc/24/60/21/241246021.db2.gz PAUGMVHOLGRQEG-JTQLQIEISA-N 0 0 340.426 2.320 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1 ZINC000223029024 241595107 /nfs/dbraw/zinc/59/51/07/241595107.db2.gz HCVWUALOWHWYHP-VIFPVBQESA-N 0 0 336.344 2.300 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)c(C)c1C ZINC000223941184 241713645 /nfs/dbraw/zinc/71/36/45/241713645.db2.gz NSTNOAYRPUDBKT-ZIAGYGMSSA-N 0 0 327.446 2.236 40 0 EEABRN COc1cccc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000225875120 242068244 /nfs/dbraw/zinc/06/82/44/242068244.db2.gz JFZXDTBAMYFRIR-UHFFFAOYSA-N 0 0 338.363 2.344 40 0 EEABRN CCN(CC)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225951850 242079086 /nfs/dbraw/zinc/07/90/86/242079086.db2.gz GZJPCLMGVQMSIZ-CYBMUJFWSA-N 0 0 332.853 2.189 40 0 EEABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccncc1 ZINC000225733145 242009582 /nfs/dbraw/zinc/00/95/82/242009582.db2.gz RUSFWYXQVCDNPJ-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN Cc1cc(CNC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)n(C)n1 ZINC000226747162 242110476 /nfs/dbraw/zinc/11/04/76/242110476.db2.gz UGLKFCYLGWIPLM-KRWDZBQOSA-N 0 0 330.363 2.067 40 0 EEABRN O=C(COc1nn(-c2ccccc2)cc1Cl)NC[C@@H]1CCCO1 ZINC000227151986 242124196 /nfs/dbraw/zinc/12/41/96/242124196.db2.gz KQUQHSFYBCVBIT-ZDUSSCGKSA-N 0 0 335.791 2.200 40 0 EEABRN CCOC(=O)N1CCC2(CC(=O)N(Nc3ccccc3)C2=O)CC1 ZINC000001640772 201515093 /nfs/dbraw/zinc/51/50/93/201515093.db2.gz JCYHWNYGYJQFBK-UHFFFAOYSA-N 0 0 331.372 2.011 40 0 EEABRN Cc1ccc(CCCN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 ZINC000241942325 243006147 /nfs/dbraw/zinc/00/61/47/243006147.db2.gz ULPALNDNWSVKKN-SFHVURJKSA-N 0 0 347.484 2.133 40 0 EEABRN COc1cc(C(=O)Sc2nc(C)cc(=O)[nH]2)cc(OC)c1OC ZINC000006565217 201686253 /nfs/dbraw/zinc/68/62/53/201686253.db2.gz DFBOUJRFFBPZCD-UHFFFAOYSA-N 0 0 336.369 2.449 40 0 EEABRN C[C@H]1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)CC(C)(C)[C@H]1C[C@H]3O ZINC000068601816 202968865 /nfs/dbraw/zinc/96/88/65/202968865.db2.gz WIGBRVUOWQUTIV-OPUUCGEASA-N 0 0 336.472 2.147 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(Cc4cnn(C)c4)C3)C2)c1 ZINC000248130614 243531159 /nfs/dbraw/zinc/53/11/59/243531159.db2.gz NDKOGYUTNRHQAY-SFHVURJKSA-N 0 0 342.443 2.074 40 0 EEABRN C[C@H](CN1C[C@@H](C)O[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008022 203078106 /nfs/dbraw/zinc/07/81/06/203078106.db2.gz IYIJQBFBVDUAHL-JTNHKYCSSA-N 0 0 341.249 2.127 40 0 EEABRN NS(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1 ZINC000071811614 203117802 /nfs/dbraw/zinc/11/78/02/203117802.db2.gz VZAXWJIGROOVCN-UHFFFAOYSA-N 0 0 340.470 2.094 40 0 EEABRN CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)Cc1cccs1 ZINC000257222157 244188096 /nfs/dbraw/zinc/18/80/96/244188096.db2.gz DSEAXDQLLPOCRS-GOSISDBHSA-N 0 0 345.468 2.176 40 0 EEABRN Cc1nc2sccn2c1CN1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257220238 244181639 /nfs/dbraw/zinc/18/16/39/244181639.db2.gz DKDMNQGFYQBCJV-HNNXBMFYSA-N 0 0 329.429 2.376 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377781 203208822 /nfs/dbraw/zinc/20/88/22/203208822.db2.gz VWYYWTZXRMUXJQ-OAHLLOKOSA-N 0 0 347.382 2.383 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1ccccc1F ZINC000072325071 203201532 /nfs/dbraw/zinc/20/15/32/203201532.db2.gz ACAOAAGAFYGPIP-CYBMUJFWSA-N 0 0 343.358 2.266 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(N2CC[C@@H](O)[C@H](C)C2)c1C ZINC000072337419 203201921 /nfs/dbraw/zinc/20/19/21/203201921.db2.gz NJYWONQHPNBEHM-SJKOYZFVSA-N 0 0 344.459 2.447 40 0 EEABRN Cc1cccnc1Nc1cc([C@@H]2CCCN2S(C)(=O)=O)nc(C)n1 ZINC000072360231 203204178 /nfs/dbraw/zinc/20/41/78/203204178.db2.gz QOSGBTVVUKRHED-AWEZNQCLSA-N 0 0 347.444 2.329 40 0 EEABRN CN(C)C(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 ZINC000072366069 203208288 /nfs/dbraw/zinc/20/82/88/203208288.db2.gz VBSDDFAOKSXRNY-OAHLLOKOSA-N 0 0 333.432 2.270 40 0 EEABRN COc1cccc(Cc2cnc([C@@H]3CCN(S(C)(=O)=O)C3)o2)c1 ZINC000257251178 244267980 /nfs/dbraw/zinc/26/79/80/244267980.db2.gz JPSZWQCUTVDJRS-CYBMUJFWSA-N 0 0 336.413 2.023 40 0 EEABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2c(C)noc2C)ccn1 ZINC000257250903 244268293 /nfs/dbraw/zinc/26/82/93/244268293.db2.gz JOMZUZXHIFTAJV-INIZCTEOSA-N 0 0 342.399 2.300 40 0 EEABRN CC(C)n1nccc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 ZINC000257265924 244361952 /nfs/dbraw/zinc/36/19/52/244361952.db2.gz MAXBJWFUEQDTEG-UHFFFAOYSA-N 0 0 349.460 2.060 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCc2cn(C)nc2C)nc(C)n1 ZINC000257267766 244366045 /nfs/dbraw/zinc/36/60/45/244366045.db2.gz MIRLUUGIHGBQPT-MRXNPFEDSA-N 0 0 342.447 2.165 40 0 EEABRN Cc1ncsc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C ZINC000257260551 244347553 /nfs/dbraw/zinc/34/75/53/244347553.db2.gz LDJATWYEEYDFMC-ZDUSSCGKSA-N 0 0 332.429 2.024 40 0 EEABRN Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)c(C)c2)cc1 ZINC000019946916 212089405 /nfs/dbraw/zinc/08/94/05/212089405.db2.gz SMEJHMYPVSHFIL-UHFFFAOYSA-N 0 0 332.425 2.292 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2cccc(F)c2)ccc1C ZINC000074966820 203298063 /nfs/dbraw/zinc/29/80/63/203298063.db2.gz SJGAGIDISODUAH-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257317279 244507086 /nfs/dbraw/zinc/50/70/86/244507086.db2.gz VJCLFFGKTMWJKY-RDJZCZTQSA-N 0 0 336.457 2.207 40 0 EEABRN Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@H]3O2)n1 ZINC000096046365 203806281 /nfs/dbraw/zinc/80/62/81/203806281.db2.gz XAIYUIFTEKPSSF-JCGIZDLHSA-N 0 0 338.411 2.101 40 0 EEABRN O=C(CC1CC1)N[C@@H]1CN(C(=O)c2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096057131 203812153 /nfs/dbraw/zinc/81/21/53/203812153.db2.gz ATDCJFLCFXOWDS-LXZKKBNFSA-N 0 0 348.468 2.284 40 0 EEABRN O=C(CC1CC1)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 ZINC000096215171 203869128 /nfs/dbraw/zinc/86/91/28/203869128.db2.gz FJJKQJDWPINQKY-OAHLLOKOSA-N 0 0 342.399 2.382 40 0 EEABRN Cc1ccc(N2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)nn1 ZINC000096219349 203872424 /nfs/dbraw/zinc/87/24/24/203872424.db2.gz WZYVEKCZFBDAJL-GUYCJALGSA-N 0 0 330.363 2.136 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 ZINC000096220611 203874499 /nfs/dbraw/zinc/87/44/99/203874499.db2.gz JXEYYKZCQNZLNF-CYBMUJFWSA-N 0 0 328.372 2.248 40 0 EEABRN CCCc1noc(C2CCN(C(=O)Cn3nc(C)cc3C)CC2)n1 ZINC000041121824 204005902 /nfs/dbraw/zinc/00/59/02/204005902.db2.gz VHDOBDNMFLEOCM-UHFFFAOYSA-N 0 0 331.420 2.242 40 0 EEABRN Cc1nn(C)c2cn([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc12 ZINC000041123825 204006758 /nfs/dbraw/zinc/00/67/58/204006758.db2.gz DOBYHJFEJGHUSV-NSHDSACASA-N 0 0 341.371 2.049 40 0 EEABRN CCn1cc(CNC(=O)[C@@]2(C)Sc3ccccc3NC2=O)cn1 ZINC000041644655 204049851 /nfs/dbraw/zinc/04/98/51/204049851.db2.gz ATGRSHVNGZVJSX-MRXNPFEDSA-N 0 0 330.413 2.022 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccnc1)c1ccco1 ZINC000107257467 204229935 /nfs/dbraw/zinc/22/99/35/204229935.db2.gz RNANTIGPSUUVHE-LZLYRXPVSA-N 0 0 341.411 2.084 40 0 EEABRN CC1(C)[C@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@@H]2CCO[C@@H]21 ZINC000110681172 204319551 /nfs/dbraw/zinc/31/95/51/204319551.db2.gz VCOWYBYMEROAQN-VNQPRFMTSA-N 0 0 345.374 2.436 40 0 EEABRN Cc1cccc(N2C[C@@H](c3noc(-c4ccc[nH]c4=O)n3)CC2=O)c1 ZINC000049025921 204362313 /nfs/dbraw/zinc/36/23/13/204362313.db2.gz UVJGUYYNEJXNID-LBPRGKRZSA-N 0 0 336.351 2.254 40 0 EEABRN Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1 ZINC000000905170 205559862 /nfs/dbraw/zinc/55/98/62/205559862.db2.gz FCCQLMALBXVGCY-UHFFFAOYSA-N 0 0 346.441 2.373 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000150940780 205597231 /nfs/dbraw/zinc/59/72/31/205597231.db2.gz YEVKFQMUULSKSM-DZGCQCFKSA-N 0 0 327.446 2.282 40 0 EEABRN COCCOCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000003957266 205674514 /nfs/dbraw/zinc/67/45/14/205674514.db2.gz ZSWXTNGZQGBTQX-RKVPGOIHSA-N 0 0 327.465 2.387 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000052854392 206139378 /nfs/dbraw/zinc/13/93/78/206139378.db2.gz HWCGWBOMHVTRIU-UHFFFAOYSA-N 0 0 348.786 2.482 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000000281500 206224350 /nfs/dbraw/zinc/22/43/50/206224350.db2.gz FOYHYCXUYLAKAN-UHFFFAOYSA-N 0 0 330.837 2.119 40 0 EEABRN Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000004260669 206375254 /nfs/dbraw/zinc/37/52/54/206375254.db2.gz SYSINEGCTYIVTB-SJORKVTESA-N 0 0 349.390 2.335 40 0 biogenic,in-vitro EEABRN O=C(c1cnccn1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC000096254396 284750592 /nfs/dbraw/zinc/75/05/92/284750592.db2.gz AUCMUIKRYIATEW-UHFFFAOYSA-N 0 0 337.358 2.247 40 0 EEABRN Cc1cc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)no1 ZINC000172237749 206802399 /nfs/dbraw/zinc/80/23/99/206802399.db2.gz JSLXSQUVZWJKBR-OAHLLOKOSA-N 0 0 347.802 2.443 40 0 EEABRN CCc1noc(C)c1C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000095428005 218370197 /nfs/dbraw/zinc/37/01/97/218370197.db2.gz DJQLALODOXUEPJ-MRXNPFEDSA-N 0 0 335.791 2.329 40 0 EEABRN CS(=O)(=O)c1ccc([C@@H](O)Cn2nccc2-c2ccncc2)cc1 ZINC000095438836 218382035 /nfs/dbraw/zinc/38/20/35/218382035.db2.gz KNARFOOKSAFZDC-KRWDZBQOSA-N 0 0 343.408 2.082 40 0 EEABRN CN(C(=O)[C@H]1CSCN1C(=O)c1cccc2c1ccn2C)C1CC1 ZINC000096403411 218752207 /nfs/dbraw/zinc/75/22/07/218752207.db2.gz GQGAIICNHYZDTA-MRXNPFEDSA-N 0 0 343.452 2.314 40 0 EEABRN Cc1ccc(N2CCCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)nn1 ZINC000096404512 218753896 /nfs/dbraw/zinc/75/38/96/218753896.db2.gz LSYYXOWURAREBI-AWEZNQCLSA-N 0 0 343.258 2.408 40 0 EEABRN C[C@H](NC(=O)/C=C/c1csc(Br)c1)C(=O)N(C)C ZINC000096407573 218758600 /nfs/dbraw/zinc/75/86/00/218758600.db2.gz OAJCTADHINGENC-ZJELKQJVSA-N 0 0 331.235 2.117 40 0 EEABRN O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000181125796 207887471 /nfs/dbraw/zinc/88/74/71/207887471.db2.gz NGPZRMVERJQOIT-HUUCEWRRSA-N 0 0 348.447 2.375 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000096425985 218795504 /nfs/dbraw/zinc/79/55/04/218795504.db2.gz MQCASTHFGYMATQ-HIFRSBDPSA-N 0 0 326.400 2.135 40 0 EEABRN O=C(/C=C/C1CC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000096431103 218805512 /nfs/dbraw/zinc/80/55/12/218805512.db2.gz LLEIDKBCDPHTQF-CMDGGOBGSA-N 0 0 348.468 2.063 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cnn(C)c1 ZINC000096439996 218819515 /nfs/dbraw/zinc/81/95/15/218819515.db2.gz RBYDLRMJLPLXOO-SMDDNHRTSA-N 0 0 349.385 2.337 40 0 EEABRN Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)NCC1(O)CCCCC1 ZINC000096483463 218858706 /nfs/dbraw/zinc/85/87/06/218858706.db2.gz WONCELBZJIZSKI-UHFFFAOYSA-N 0 0 343.493 2.228 40 0 EEABRN COc1cccc([C@H](C)N2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000097378019 219018792 /nfs/dbraw/zinc/01/87/92/219018792.db2.gz AJWHNYKWXSICFR-SWLSCSKDSA-N 0 0 332.366 2.297 40 0 EEABRN Cc1cc(CN2CCN(C(=O)Nc3cc(C)cc(C)n3)CC2)on1 ZINC000097378672 219019823 /nfs/dbraw/zinc/01/98/23/219019823.db2.gz NJBZYFHMGBRRGN-UHFFFAOYSA-N 0 0 329.404 2.345 40 0 EEABRN CC[C@@H](NC(=O)NCCS(=O)(=O)CC)c1ccc(F)cc1F ZINC000096415459 257834697 /nfs/dbraw/zinc/83/46/97/257834697.db2.gz RBHFDENQMKKBSW-CYBMUJFWSA-N 0 0 334.388 2.150 40 0 EEABRN COc1cccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000187072191 533447082 /nfs/dbraw/zinc/44/70/82/533447082.db2.gz ORTGSHPPKGQWCV-GFCCVEGCSA-N 0 0 339.395 2.395 40 0 EEABRN O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(c2ccccn2)CC1 ZINC000040040323 132397840 /nfs/dbraw/zinc/39/78/40/132397840.db2.gz JOAHZMPVYKZNEU-UHFFFAOYSA-N 0 0 347.422 2.159 40 0 EEABRN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)[C@H](c2ccccc2)CO1 ZINC000096433337 296911742 /nfs/dbraw/zinc/91/17/42/296911742.db2.gz QDGVFKIVSFSSAI-RISCZKNCSA-N 0 0 330.409 2.449 40 0 EEABRN O=C(NCc1ccc(Cl)cc1F)[C@H]1COCCN1CC(F)F ZINC000288608596 275075408 /nfs/dbraw/zinc/07/54/08/275075408.db2.gz QRRPROMDMPDZNL-GFCCVEGCSA-N 0 0 336.741 2.061 40 0 EEABRN CC1=C[C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000101503633 276186188 /nfs/dbraw/zinc/18/61/88/276186188.db2.gz IJKCBAOIEJHMCO-YHUYYLMFSA-N 0 0 338.407 2.165 40 0 EEABRN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ncnc2c1cnn2C ZINC000097229084 277074659 /nfs/dbraw/zinc/07/46/59/277074659.db2.gz IWEVETXEOFAZQE-ZDUSSCGKSA-N 0 0 339.399 2.179 40 0 EEABRN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000190933854 279026828 /nfs/dbraw/zinc/02/68/28/279026828.db2.gz SQOOLNWELOWOKU-KGLIPLIRSA-N 0 0 343.431 2.099 40 0 EEABRN C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccccc2NC1=O ZINC000040775992 280150319 /nfs/dbraw/zinc/15/03/19/280150319.db2.gz IQKNTNOZEVBMQR-GOSISDBHSA-N 0 0 340.335 2.186 40 0 EEABRN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cocn3)c12 ZINC000097103503 280224066 /nfs/dbraw/zinc/22/40/66/280224066.db2.gz NLJGOPZNANXASY-GFCCVEGCSA-N 0 0 341.371 2.467 40 0 EEABRN CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)CC(C)(C)C)C2)ncn1 ZINC000257307528 282000234 /nfs/dbraw/zinc/00/02/34/282000234.db2.gz SZCAQBHQNFKZDA-CQSZACIVSA-N 0 0 346.475 2.396 40 0 EEABRN Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@H]3CCCC[C@H]32)C1 ZINC000253419453 294590808 /nfs/dbraw/zinc/59/08/08/294590808.db2.gz NFOLJOTYJJENTM-OWCLPIDISA-N 0 0 331.464 2.363 40 0 EEABRN Nn1c(SCc2nccn2C(F)F)nnc1[C@@H]1CCCCO1 ZINC000096436709 295375947 /nfs/dbraw/zinc/37/59/47/295375947.db2.gz WFWRAIPFOCDWCV-QMMMGPOBSA-N 0 0 330.364 2.117 40 0 EEABRN CS(=O)(=O)CCNC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000089868012 295503085 /nfs/dbraw/zinc/50/30/85/295503085.db2.gz MYAUNILMCYISFC-UHFFFAOYSA-N 0 0 346.399 2.078 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000155502335 302250472 /nfs/dbraw/zinc/25/04/72/302250472.db2.gz MDRKHBVGNVDPRA-ZIAGYGMSSA-N 0 0 345.399 2.407 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)cs1 ZINC000096217835 302633021 /nfs/dbraw/zinc/63/30/21/302633021.db2.gz YARIICSCUWYPTJ-ZDUSSCGKSA-N 0 0 332.381 2.394 40 0 EEABRN Cc1cc(C)n([C@H](C)CC(=O)N2CCNC(=O)[C@@H]2c2cccs2)n1 ZINC000331443579 311854022 /nfs/dbraw/zinc/85/40/22/311854022.db2.gz LBXAAFMJPJNWBX-CJNGLKHVSA-N 0 0 346.456 2.212 40 0 EEABRN Cc1noc([C@H]2COCCN2C(=O)c2ccc(Cl)c(F)c2)n1 ZINC000097098061 323320473 /nfs/dbraw/zinc/32/04/73/323320473.db2.gz ORMOQNRCSQZCDP-GFCCVEGCSA-N 0 0 325.727 2.384 40 0 EEABRN CO[C@@H](CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C(C)C ZINC000073873311 463664946 /nfs/dbraw/zinc/66/49/46/463664946.db2.gz RTQAJRPGNYLWRY-INIZCTEOSA-N 0 0 334.395 2.482 40 0 EEABRN COc1ccccc1NC(=O)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000085472579 462550321 /nfs/dbraw/zinc/55/03/21/462550321.db2.gz SFWWTDOWDGGQTQ-CQSZACIVSA-N 0 0 346.408 2.123 40 0 EEABRN Cc1nn(C)c2sc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)cc12 ZINC000086062512 462565912 /nfs/dbraw/zinc/56/59/12/462565912.db2.gz BXOKRIASURVMMJ-JTQLQIEISA-N 0 0 333.413 2.111 40 0 EEABRN CCc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OC(C)C)[C@@H]4C2=O)cc1 ZINC000000533929 462569244 /nfs/dbraw/zinc/56/92/44/462569244.db2.gz GCTKWLFVHKUVMD-LJCCNALRSA-N 0 0 341.407 2.487 40 0 EEABRN CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(C)CC1 ZINC000001337961 462579057 /nfs/dbraw/zinc/57/90/57/462579057.db2.gz DUIZFWCXVRSRJB-UHFFFAOYSA-N 0 0 331.416 2.415 40 0 EEABRN COCCCn1c(SCC(=O)N(C)C)nnc1-c1ccccc1 ZINC000004161246 462629074 /nfs/dbraw/zinc/62/90/74/462629074.db2.gz VOIYDDWVDCYWCP-UHFFFAOYSA-N 0 0 334.445 2.162 40 0 EEABRN CSc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1 ZINC000004985108 462642426 /nfs/dbraw/zinc/64/24/26/462642426.db2.gz FLXCYTJPKXHRSU-UHFFFAOYSA-N 0 0 329.385 2.094 40 0 EEABRN CCCCCCn1c(C)cn2c1nc1c2c(=O)n(CC)c(=O)n1C ZINC000005076246 462644591 /nfs/dbraw/zinc/64/45/91/462644591.db2.gz CZDROVKJRJPEBG-UHFFFAOYSA-N 0 0 331.420 2.058 40 0 EEABRN Cc1nn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149196 462645751 /nfs/dbraw/zinc/64/57/51/462645751.db2.gz VFFJJZWIYUHQQT-TXEJJXNPSA-N 0 0 342.399 2.340 40 0 EEABRN COc1c(OC[C@H](O)C(C)(C)O)ccc2c1N=C1OC=C[C@H]1[C@@H]2OC ZINC000005223023 462651460 /nfs/dbraw/zinc/65/14/60/462651460.db2.gz RMDGFVXKNRIXEW-CORIIIEPSA-N 0 0 349.383 2.097 40 0 EEABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)CC1 ZINC000006308146 462682296 /nfs/dbraw/zinc/68/22/96/462682296.db2.gz WOTXKINVAASMDA-UKTHLTGXSA-N 0 0 333.413 2.310 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 ZINC000006680672 462696967 /nfs/dbraw/zinc/69/69/67/462696967.db2.gz KVFNEOAWYSCJHX-UHFFFAOYSA-N 0 0 330.475 2.309 40 0 EEABRN O=C(N[C@@H]1C[C@@H]1c1ccccc1F)c1cc(N2CCOCC2)ccn1 ZINC000130732713 462773639 /nfs/dbraw/zinc/77/36/39/462773639.db2.gz KQBPWYILWKDDGP-NVXWUHKLSA-N 0 0 341.386 2.343 40 0 EEABRN Cc1nnc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c2ccccc2)s1 ZINC000008474383 462784646 /nfs/dbraw/zinc/78/46/46/462784646.db2.gz ZENDQRVFIRZTRG-JTQLQIEISA-N 0 0 347.396 2.380 40 0 EEABRN Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCC(C)C)cc2c1 ZINC000009683890 462805459 /nfs/dbraw/zinc/80/54/59/462805459.db2.gz RKZFKXWZTADKOC-UHFFFAOYSA-N 0 0 347.484 2.161 40 0 EEABRN COc1ccccc1CN(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000011660392 462835426 /nfs/dbraw/zinc/83/54/26/462835426.db2.gz YSOXBMMMFZIAHL-UHFFFAOYSA-N 0 0 348.424 2.339 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012117907 462843039 /nfs/dbraw/zinc/84/30/39/462843039.db2.gz SDCDHRGIARPXGN-UHFFFAOYSA-N 0 0 340.383 2.079 40 0 EEABRN C[C@H](NC(=O)Cc1ccccc1F)c1nnc(-c2ccncc2)[nH]1 ZINC000012114836 462843899 /nfs/dbraw/zinc/84/38/99/462843899.db2.gz VLLWATYHHFLLKY-NSHDSACASA-N 0 0 325.347 2.426 40 0 EEABRN COCCNc1ncc(-c2cnccn2)c(-c2c(C)noc2C)n1 ZINC000012155804 462845677 /nfs/dbraw/zinc/84/56/77/462845677.db2.gz CJRHQCBZLILDES-UHFFFAOYSA-N 0 0 326.360 2.264 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](n2nnc3cc(F)ccc32)C1 ZINC000012184820 462847600 /nfs/dbraw/zinc/84/76/00/462847600.db2.gz XVLMOWSQRRJVEQ-ZDUSSCGKSA-N 0 0 342.378 2.090 40 0 EEABRN CN(C)c1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1 ZINC000012240626 462848320 /nfs/dbraw/zinc/84/83/20/462848320.db2.gz KOXPLBQMNYVHQQ-UHFFFAOYSA-N 0 0 330.407 2.165 40 0 EEABRN Cc1nc2ncccc2c([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 ZINC000013228037 462888482 /nfs/dbraw/zinc/88/84/82/462888482.db2.gz YIRRGMQIWIKIAN-UKRRQHHQSA-N 0 0 326.400 2.218 40 0 EEABRN Cc1nc(CC(C)C)c(NC(=O)N[C@@H]2CCc3ncnn3C2)s1 ZINC000132940375 462888815 /nfs/dbraw/zinc/88/88/15/462888815.db2.gz LZLHPVIWTPFMLY-LLVKDONJSA-N 0 0 334.449 2.378 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000016740386 462989902 /nfs/dbraw/zinc/98/99/02/462989902.db2.gz UIWPTZOKMGPONK-GFCCVEGCSA-N 0 0 333.413 2.411 40 0 EEABRN COCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(C)=O ZINC000019017565 463012799 /nfs/dbraw/zinc/01/27/99/463012799.db2.gz KLJUAPXCVCWCTI-QWFCFKBJSA-N 0 0 344.455 2.419 40 0 EEABRN Fc1ccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)cc1F ZINC000019292947 463016299 /nfs/dbraw/zinc/01/62/99/463016299.db2.gz LXTOIWHVEXRRBN-UHFFFAOYSA-N 0 0 346.381 2.150 40 0 EEABRN c1cc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)co1 ZINC000019406232 463017725 /nfs/dbraw/zinc/01/77/25/463017725.db2.gz SNHIOKMVLOUECT-WMLDXEAASA-N 0 0 326.400 2.168 40 0 EEABRN C[C@H](Nc1cnn(C)c(=O)c1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000052360288 463075975 /nfs/dbraw/zinc/07/59/75/463075975.db2.gz YSDHCXXLSFJOMG-VIFPVBQESA-N 0 0 332.791 2.492 40 0 EEABRN COc1ccc([C@H](N)c2nc(-c3ccccc3O)n[nH]2)cc1OC ZINC000095533796 463107023 /nfs/dbraw/zinc/10/70/23/463107023.db2.gz UWEOOMQIQWTAGZ-HNNXBMFYSA-N 0 0 326.356 2.243 40 0 EEABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039397 463143993 /nfs/dbraw/zinc/14/39/93/463143993.db2.gz ZPSCMASOQVVTFS-PKOBYXMFSA-N 0 0 347.411 2.463 40 0 EEABRN Cc1cc(C(=O)N2C[C@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)c(C)[nH]1 ZINC000096038933 463144095 /nfs/dbraw/zinc/14/40/95/463144095.db2.gz WWBITAQASJSDDH-BPLDGKMQSA-N 0 0 330.388 2.110 40 0 EEABRN Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)N4CCC(C)CC4)O[C@@H]3C2)no1 ZINC000096043004 463148330 /nfs/dbraw/zinc/14/83/30/463148330.db2.gz BHRQXKPFNYGYHR-RYQLBKOJSA-N 0 0 347.459 2.221 40 0 EEABRN O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096048272 463151497 /nfs/dbraw/zinc/15/14/97/463151497.db2.gz RYQACGNPYAKVDC-APWZRJJASA-N 0 0 339.395 2.319 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050758 463155295 /nfs/dbraw/zinc/15/52/95/463155295.db2.gz ROTHENYDWJINBS-LJQANCHMSA-N 0 0 346.402 2.208 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)N2CCCC2)CC3)c1 ZINC000096051741 463155443 /nfs/dbraw/zinc/15/54/43/463155443.db2.gz XMHWDAMRZNVZEY-INIZCTEOSA-N 0 0 344.459 2.215 40 0 EEABRN O=C(c1ccco1)N1C[C@H]2CCCN(C(=O)c3ccccn3)[C@H]2C1 ZINC000096054197 463156386 /nfs/dbraw/zinc/15/63/86/463156386.db2.gz VWLLUPHUTMIWMD-HIFRSBDPSA-N 0 0 325.368 2.051 40 0 EEABRN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC000096054142 463156547 /nfs/dbraw/zinc/15/65/47/463156547.db2.gz YTFRWWMGLQELSS-VXGBXAGGSA-N 0 0 334.470 2.194 40 0 EEABRN Fc1ccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 ZINC000096052378 463156739 /nfs/dbraw/zinc/15/67/39/463156739.db2.gz XIXRRADDDFAVGQ-RTBURBONSA-N 0 0 345.418 2.472 40 0 EEABRN O=C(CC1CC1)N[C@@H]1CN(C(=O)c2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057132 463158041 /nfs/dbraw/zinc/15/80/41/463158041.db2.gz PHQHKZZCQSRMAG-VBQJREDUSA-N 0 0 348.468 2.284 40 0 EEABRN Cc1cc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)no1 ZINC000096069529 463165538 /nfs/dbraw/zinc/16/55/38/463165538.db2.gz GLDUKRISXAYTHL-HNNXBMFYSA-N 0 0 339.395 2.262 40 0 EEABRN O=C(c1ccco1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096072405 463167131 /nfs/dbraw/zinc/16/71/31/463167131.db2.gz AYFUJWGZCJWFDP-YJBOKZPZSA-N 0 0 328.368 2.265 40 0 EEABRN O=C(c1ccccn1)N1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096073240 463167232 /nfs/dbraw/zinc/16/72/32/463167232.db2.gz IHSSBHYTIFJDMI-INIZCTEOSA-N 0 0 339.395 2.319 40 0 EEABRN CCCS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 ZINC000096075056 463168584 /nfs/dbraw/zinc/16/85/84/463168584.db2.gz OSBLSNVWRWUYLA-ZBFHGGJFSA-N 0 0 340.420 2.216 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@]2(C1)COCCN(c1ccccn1)C2 ZINC000096076780 463168834 /nfs/dbraw/zinc/16/88/34/463168834.db2.gz NIPQWWUBZUYQLC-IBGZPJMESA-N 0 0 340.427 2.169 40 0 EEABRN COc1cc(=O)n(CC(=O)N2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000096100869 463172823 /nfs/dbraw/zinc/17/28/23/463172823.db2.gz CUSILEDFJAITGV-UHFFFAOYSA-N 0 0 347.802 2.195 40 0 EEABRN O=C(Cc1ccco1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107553 463175105 /nfs/dbraw/zinc/17/51/05/463175105.db2.gz NHVAYXYVVRVAGJ-LPHOPBHVSA-N 0 0 342.395 2.446 40 0 EEABRN O=C1[C@@H]2CCN(Cc3ccccn3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107116 463175229 /nfs/dbraw/zinc/17/52/29/463175229.db2.gz BBNYMZQTDNOQCN-MOPGFXCFSA-N 0 0 337.423 2.336 40 0 EEABRN Cc1ccccc1[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(C)C ZINC000078994925 463176583 /nfs/dbraw/zinc/17/65/83/463176583.db2.gz KBIFHXSDWRWQCA-IBGZPJMESA-N 0 0 332.444 2.447 40 0 EEABRN COCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@@H]2C ZINC000096109574 463178653 /nfs/dbraw/zinc/17/86/53/463178653.db2.gz MWMWHCCQWAIQAW-GFCCVEGCSA-N 0 0 343.383 2.018 40 0 EEABRN CCN(C(=O)NCc1ccc2c(c1)CCC2)[C@H](C)CS(C)(=O)=O ZINC000079036112 463181674 /nfs/dbraw/zinc/18/16/74/463181674.db2.gz OUIFMUQTMFISBH-CYBMUJFWSA-N 0 0 338.473 2.140 40 0 EEABRN CC(C)(CNC(=O)CN1CCCNC1=O)c1ccc(F)cc1Cl ZINC000079052275 463184037 /nfs/dbraw/zinc/18/40/37/463184037.db2.gz NABPMTFOHKAOIC-UHFFFAOYSA-N 0 0 341.814 2.288 40 0 EEABRN O=C(CN1CCC[C@@H]1COc1ccccc1)NCc1ccccn1 ZINC000079090753 463187893 /nfs/dbraw/zinc/18/78/93/463187893.db2.gz QHOOIJSEVQZUIO-QGZVFWFLSA-N 0 0 325.412 2.241 40 0 EEABRN Cn1ccnc1CN1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 ZINC000096160904 463192762 /nfs/dbraw/zinc/19/27/62/463192762.db2.gz MNNSSFGPLJWCTP-VQIMIIECSA-N 0 0 342.443 2.265 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)ccn3)OCC(=O)N2C)cc1 ZINC000096181446 463194587 /nfs/dbraw/zinc/19/45/87/463194587.db2.gz RWXYVRIXEZWFLX-ZWKOTPCHSA-N 0 0 339.395 2.235 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC000096186757 463199425 /nfs/dbraw/zinc/19/94/25/463199425.db2.gz FPEXXUJANKBDHZ-SQNIBIBYSA-N 0 0 342.443 2.154 40 0 EEABRN Cc1nc(COC[C@H]2Cn3nccc3CN([C@@H]3CCOC3)C2)cs1 ZINC000096189167 463199795 /nfs/dbraw/zinc/19/97/95/463199795.db2.gz WPPPUARNUCANRV-RHSMWYFYSA-N 0 0 348.472 2.086 40 0 EEABRN COCCN1CCN(C(=O)Cc2ccsc2)Cc2ccc(C)nc21 ZINC000096199039 463204507 /nfs/dbraw/zinc/20/45/07/463204507.db2.gz YFRAYJRRTNWMNX-UHFFFAOYSA-N 0 0 345.468 2.489 40 0 EEABRN CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2cn(CC)nc21 ZINC000096198094 463204829 /nfs/dbraw/zinc/20/48/29/463204829.db2.gz MNCHMVUUBGJMBI-OAHLLOKOSA-N 0 0 328.416 2.003 40 0 EEABRN COc1ccc(F)cc1C[S@@](=O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000079324474 463206479 /nfs/dbraw/zinc/20/64/79/463206479.db2.gz WXFGTKXBNPGIMK-ZCAPAMDOSA-N 0 0 341.326 2.150 40 0 EEABRN Fc1cccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202341 463207387 /nfs/dbraw/zinc/20/73/87/463207387.db2.gz KTALJEQBYLUBFE-LJQANCHMSA-N 0 0 342.418 2.345 40 0 EEABRN Cc1nc(CN2CCC3(CN(C(=O)c4cccn4C)C3)C2)cs1 ZINC000096202538 463207882 /nfs/dbraw/zinc/20/78/82/463207882.db2.gz FXBDJMAUBCGAJY-UHFFFAOYSA-N 0 0 330.457 2.138 40 0 EEABRN O=C(CC1CC1)N1Cc2cncn2C[C@H](COCc2ccccn2)C1 ZINC000096209351 463212428 /nfs/dbraw/zinc/21/24/28/463212428.db2.gz MYNBVZHSJLZLNX-MRXNPFEDSA-N 0 0 340.427 2.253 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096208800 463212491 /nfs/dbraw/zinc/21/24/91/463212491.db2.gz MXXMWCFRXXWLEO-APWZRJJASA-N 0 0 342.395 2.304 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096219609 463216886 /nfs/dbraw/zinc/21/68/86/463216886.db2.gz RQGQASIMXBBUAC-BBRMVZONSA-N 0 0 348.403 2.163 40 0 EEABRN COCCNc1ccnc([C@@H]2COCCN2Cc2ccccc2F)n1 ZINC000096219511 463216978 /nfs/dbraw/zinc/21/69/78/463216978.db2.gz MQLYYQMJDCMIBY-INIZCTEOSA-N 0 0 346.406 2.248 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221778 463218098 /nfs/dbraw/zinc/21/80/98/463218098.db2.gz GPJNPWNVIRDHLH-INIZCTEOSA-N 0 0 331.416 2.300 40 0 EEABRN Cc1nc(CN2CCC[C@]3(C2)CN(c2cnccn2)CCO3)cs1 ZINC000096226687 463220674 /nfs/dbraw/zinc/22/06/74/463220674.db2.gz FENMQUOUKGTQGJ-KRWDZBQOSA-N 0 0 345.472 2.113 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N3CCCC3)C2)c1 ZINC000096227091 463222124 /nfs/dbraw/zinc/22/21/24/463222124.db2.gz YIYRZISXKMQBAP-YLJYHZDGSA-N 0 0 341.455 2.227 40 0 EEABRN O=C(c1ccno1)N1CCC[C@@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228960 463222154 /nfs/dbraw/zinc/22/21/54/463222154.db2.gz CRVIKHFKTZKZAG-LJQANCHMSA-N 0 0 341.411 2.434 40 0 EEABRN O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227195 463222258 /nfs/dbraw/zinc/22/22/58/463222258.db2.gz UTTRSFZPCMFCHB-CRAIPNDOSA-N 0 0 331.416 2.260 40 0 EEABRN C[C@H]1CN=C(N2CCN(Cc3nc4ccccc4n3C)CC2)S1 ZINC000079509089 463223868 /nfs/dbraw/zinc/22/38/68/463223868.db2.gz FINMXUQBLRIMLQ-ZDUSSCGKSA-N 0 0 329.473 2.182 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cn1 ZINC000096239258 463224877 /nfs/dbraw/zinc/22/48/77/463224877.db2.gz GVYTZZACMOHZFQ-QGZVFWFLSA-N 0 0 342.424 2.116 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261691 463231387 /nfs/dbraw/zinc/23/13/87/463231387.db2.gz AVESMZVKAWSLQK-ZRGWGRIASA-N 0 0 348.491 2.492 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1Cl ZINC000096375258 463237273 /nfs/dbraw/zinc/23/72/73/463237273.db2.gz NBVXSYAMDCRYNF-PBWFPOADSA-N 0 0 341.860 2.449 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)o1 ZINC000096406343 463239175 /nfs/dbraw/zinc/23/91/75/463239175.db2.gz WHBZJIXZKITJKT-DXCKQFNASA-N 0 0 344.415 2.108 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1csnn1 ZINC000096408553 463241417 /nfs/dbraw/zinc/24/14/17/463241417.db2.gz JFAUXPSUQBJHGH-SECBINFHSA-N 0 0 340.355 2.148 40 0 EEABRN C[S@](=O)CCNC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000096408779 463241454 /nfs/dbraw/zinc/24/14/54/463241454.db2.gz BVLGDDBNIIBHPF-CWTRNNRKSA-N 0 0 345.262 2.114 40 0 EEABRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccnc2ccnn21 ZINC000096409659 463243042 /nfs/dbraw/zinc/24/30/42/463243042.db2.gz RPHIAEDTTWINSA-GFCCVEGCSA-N 0 0 329.404 2.143 40 0 EEABRN CN(Cc1cnccn1)C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000096410649 463243839 /nfs/dbraw/zinc/24/38/39/463243839.db2.gz CDMQYVQKBFKBSC-UHFFFAOYSA-N 0 0 326.335 2.465 40 0 EEABRN CCc1nc(C)ncc1C(=O)NCCC(=O)N(C)Cc1ccccc1 ZINC000096410977 463244269 /nfs/dbraw/zinc/24/42/69/463244269.db2.gz BPTCWYGVGJLSBY-UHFFFAOYSA-N 0 0 340.427 2.126 40 0 EEABRN CCCc1nc([C@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc2)no1 ZINC000096412098 463244661 /nfs/dbraw/zinc/24/46/61/463244661.db2.gz TVLVNYVYAYPHJK-MRXNPFEDSA-N 0 0 338.367 2.230 40 0 EEABRN O=C(NCCNc1ccccn1)c1cccc(OCC(F)(F)F)n1 ZINC000096417832 463250678 /nfs/dbraw/zinc/25/06/78/463250678.db2.gz URNSVDRSWLEIQS-UHFFFAOYSA-N 0 0 340.305 2.260 40 0 EEABRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000096426836 463255928 /nfs/dbraw/zinc/25/59/28/463255928.db2.gz IOJRAZMELMYPOZ-LBPRGKRZSA-N 0 0 346.818 2.355 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000096427749 463257192 /nfs/dbraw/zinc/25/71/92/463257192.db2.gz AMINNPIKYJKYBQ-VIFPVBQESA-N 0 0 347.362 2.284 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCCC2 ZINC000096432491 463260966 /nfs/dbraw/zinc/26/09/66/463260966.db2.gz IOQIOGRCJDTDFN-CABCVRRESA-N 0 0 341.415 2.130 40 0 EEABRN COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096435145 463263105 /nfs/dbraw/zinc/26/31/05/463263105.db2.gz BMYMEWQUOMETKK-ZDUSSCGKSA-N 0 0 329.400 2.489 40 0 EEABRN O=C(NC[C@H](O)c1cccs1)Nc1ccn(Cc2ccccn2)n1 ZINC000096435048 463263969 /nfs/dbraw/zinc/26/39/69/463263969.db2.gz OZOXWOVAZMMEGI-ZDUSSCGKSA-N 0 0 343.412 2.243 40 0 EEABRN Cc1ccc([C@@](C)(O)CNC(=O)NC[C@H]2Cc3ccccc3O2)o1 ZINC000096437784 463265779 /nfs/dbraw/zinc/26/57/79/463265779.db2.gz JYTYBOPVXMBOCH-KDOFPFPSSA-N 0 0 330.384 2.098 40 0 EEABRN C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000096447259 463270689 /nfs/dbraw/zinc/27/06/89/463270689.db2.gz BZHJFHOLQGPHFR-CQSZACIVSA-N 0 0 347.419 2.033 40 0 EEABRN CCc1cnc(CN(C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)s1 ZINC000096447351 463271174 /nfs/dbraw/zinc/27/11/74/463271174.db2.gz GWUDOBSHAJONBP-LBPRGKRZSA-N 0 0 338.477 2.248 40 0 EEABRN CCc1nc(CCNC(=O)N[C@H]2CCCC[C@@H]2CO)sc1C ZINC000096448372 463272158 /nfs/dbraw/zinc/27/21/58/463272158.db2.gz BSDWJDWIZIDCET-OCCSQVGLSA-N 0 0 325.478 2.407 40 0 EEABRN COC(=O)[C@@H](CNC(=O)c1cncc(F)c1)Cc1ccccc1C ZINC000096467936 463278101 /nfs/dbraw/zinc/27/81/01/463278101.db2.gz YCPVMZLVRQXBQA-OAHLLOKOSA-N 0 0 330.359 2.291 40 0 EEABRN CC(C)[C@H](O)C(C)(C)CNC(=O)Nc1ccccc1-n1ccnn1 ZINC000096484107 463282611 /nfs/dbraw/zinc/28/26/11/463282611.db2.gz LWHXETJQOJVJIC-HNNXBMFYSA-N 0 0 331.420 2.432 40 0 EEABRN CC(=O)N(C)Cc1cccc(NC(=O)C(F)(F)C2(O)CCC2)c1 ZINC000096486447 463284246 /nfs/dbraw/zinc/28/42/46/463284246.db2.gz NGJCTYVAMLRZEU-UHFFFAOYSA-N 0 0 326.343 2.154 40 0 EEABRN COCC(=O)N1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000096489648 463286625 /nfs/dbraw/zinc/28/66/25/463286625.db2.gz MLXISFXMWKHXAP-UHFFFAOYSA-N 0 0 325.412 2.039 40 0 EEABRN O=C1[C@@H](N[C@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494477 463288942 /nfs/dbraw/zinc/28/89/42/463288942.db2.gz VIDAUSCPBJZNTQ-KBPBESRZSA-N 0 0 349.797 2.301 40 0 EEABRN O=C(N[C@H](CO)c1ccccc1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000096496954 463290553 /nfs/dbraw/zinc/29/05/53/463290553.db2.gz FSWWDNKOPFWWPH-GVDBMIGSSA-N 0 0 328.416 2.400 40 0 EEABRN Cc1cccc([C@H](C)CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000096500346 463290648 /nfs/dbraw/zinc/29/06/48/463290648.db2.gz PFLHPOGYBHSOOQ-CABCVRRESA-N 0 0 329.444 2.409 40 0 EEABRN Cc1nc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)oc1C ZINC000096502142 463292468 /nfs/dbraw/zinc/29/24/68/463292468.db2.gz UJBFEGMNGIFRKG-UHFFFAOYSA-N 0 0 346.355 2.414 40 0 EEABRN COC(=O)C1CCN(C(=O)CSCc2ccc(F)cc2)CC1 ZINC000030863386 463314717 /nfs/dbraw/zinc/31/47/17/463314717.db2.gz WUIGXHCBISULKQ-UHFFFAOYSA-N 0 0 325.405 2.471 40 0 EEABRN CCc1noc([C@H](C)S(=O)(=O)Cc2cnn(-c3ccccc3)c2)n1 ZINC000097227880 463349689 /nfs/dbraw/zinc/34/96/89/463349689.db2.gz MKTMATUFNRXNJC-LBPRGKRZSA-N 0 0 346.412 2.494 40 0 EEABRN O=C1N[C@@H](c2cc(Br)cc3c2OCC3)N2CCCC[C@H]12 ZINC000097378383 463358474 /nfs/dbraw/zinc/35/84/74/463358474.db2.gz JXROPFQAAAPSBZ-TZMCWYRMSA-N 0 0 337.217 2.367 40 0 EEABRN CCC[C@H](F)Cn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21 ZINC000097758829 463363109 /nfs/dbraw/zinc/36/31/09/463363109.db2.gz VKIBZLGSWZHFJD-SWLSCSKDSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000072352386 463509211 /nfs/dbraw/zinc/50/92/11/463509211.db2.gz OUJUTBDRKCICQT-GFCCVEGCSA-N 0 0 345.468 2.138 40 0 EEABRN CSCC(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108533632 463612005 /nfs/dbraw/zinc/61/20/05/463612005.db2.gz OXWRBIZVTGNSJB-SFHVURJKSA-N 0 0 347.484 2.176 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1 ZINC000059488234 463642899 /nfs/dbraw/zinc/64/28/99/463642899.db2.gz DCYVJYIPTIAZCT-UHFFFAOYSA-N 0 0 348.786 2.482 40 0 EEABRN O=S(=O)(Cc1ccccc1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000166139790 463652345 /nfs/dbraw/zinc/65/23/45/463652345.db2.gz SKSIIXROUOGZEJ-INIZCTEOSA-N 0 0 331.441 2.170 40 0 EEABRN Cc1nnc(CN(C)CC(=O)N2CCCCC[C@@H]2CC(C)C)n1C ZINC000073922602 463670908 /nfs/dbraw/zinc/67/09/08/463670908.db2.gz LWLQTDLGNYZIAA-MRXNPFEDSA-N 0 0 335.496 2.373 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)CCn2nccc2C)CCN1C ZINC000257295040 463765928 /nfs/dbraw/zinc/76/59/28/463765928.db2.gz QWRIEYAHIBJOAC-KRWDZBQOSA-N 0 0 342.443 2.106 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257303229 463769031 /nfs/dbraw/zinc/76/90/31/463769031.db2.gz SGGVIUJVLUYKRY-OAHLLOKOSA-N 0 0 343.431 2.182 40 0 EEABRN CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(C)=O)CCO3)c2)s1 ZINC000257305022 463770402 /nfs/dbraw/zinc/77/04/02/463770402.db2.gz SOCYULVAPSBEIT-AWEZNQCLSA-N 0 0 347.444 2.467 40 0 EEABRN Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(C)n2nccc2n1 ZINC000257303427 463770714 /nfs/dbraw/zinc/77/07/14/463770714.db2.gz SHFNCNBOMRKMIM-MRXNPFEDSA-N 0 0 338.415 2.296 40 0 EEABRN COc1cc(CCC(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)on1 ZINC000257328136 463779822 /nfs/dbraw/zinc/77/98/22/463779822.db2.gz XEICLZSXLNJPND-AWEZNQCLSA-N 0 0 344.415 2.104 40 0 EEABRN CS(=O)(=O)c1ccc(CN2CCC(c3cnccn3)CC2)cc1 ZINC000257337455 463784386 /nfs/dbraw/zinc/78/43/86/463784386.db2.gz YSUZOOXZNKOXBN-UHFFFAOYSA-N 0 0 331.441 2.260 40 0 EEABRN COCc1cccc(S(=O)(=O)NCC2(c3ccccn3)CC2)c1 ZINC000194071440 463785456 /nfs/dbraw/zinc/78/54/56/463785456.db2.gz LEBGDTMJCLNNSX-UHFFFAOYSA-N 0 0 332.425 2.238 40 0 EEABRN CN(C(=O)c1ccc2n[nH]nc2c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257343208 463787137 /nfs/dbraw/zinc/78/71/37/463787137.db2.gz ZRXFIJKEPPAUGR-CQSZACIVSA-N 0 0 336.399 2.094 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000257343048 463788228 /nfs/dbraw/zinc/78/82/28/463788228.db2.gz ZRGMBGCNOPFFLJ-HNNXBMFYSA-N 0 0 349.398 2.076 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@H]2C)n1 ZINC000260737619 463791921 /nfs/dbraw/zinc/79/19/21/463791921.db2.gz MNYPKHNOMPJJHC-SNVBAGLBSA-N 0 0 343.884 2.442 40 0 EEABRN O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C(F)F ZINC000194868414 463946937 /nfs/dbraw/zinc/94/69/37/463946937.db2.gz GNLIWIHCMLDHAI-VIFPVBQESA-N 0 0 336.260 2.188 40 0 EEABRN Cc1nccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000171992794 463963037 /nfs/dbraw/zinc/96/30/37/463963037.db2.gz LPVPIXPFARBGKO-SJLPKXTDSA-N 0 0 338.411 2.011 40 0 EEABRN COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000195036025 463979953 /nfs/dbraw/zinc/97/99/53/463979953.db2.gz SJGJPFZQXLEOOT-GWCDLVAZSA-N 0 0 328.412 2.213 40 0 EEABRN O=C(CNC(=O)[C@H]1COc2ccc(Cl)cc2C1)Nc1cccnc1 ZINC000195407862 464050411 /nfs/dbraw/zinc/05/04/11/464050411.db2.gz PWAWUIPDXCVYNB-GFCCVEGCSA-N 0 0 345.786 2.041 40 0 EEABRN C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(Cl)cc1Br ZINC000195547492 464074271 /nfs/dbraw/zinc/07/42/71/464074271.db2.gz PYRGKMYGWQQYSL-WCBMZHEXSA-N 0 0 348.624 2.324 40 0 EEABRN O=C(NCCS(=O)(=O)Nc1ccccc1)C1CCC(F)(F)CC1 ZINC000195546289 464074278 /nfs/dbraw/zinc/07/42/78/464074278.db2.gz XLBZWVHMWNXGIA-UHFFFAOYSA-N 0 0 346.399 2.370 40 0 EEABRN Cc1cccc(NC(=O)C2CCN(C(=O)C(F)(F)Cl)CC2)n1 ZINC000195570563 464078917 /nfs/dbraw/zinc/07/89/17/464078917.db2.gz QEJIYDDLEKTQLH-UHFFFAOYSA-N 0 0 331.750 2.399 40 0 EEABRN CN(Cc1cccn1C)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000195576357 464080261 /nfs/dbraw/zinc/08/02/61/464080261.db2.gz QYRUDIYRNYFHHL-UHFFFAOYSA-N 0 0 340.305 2.036 40 0 EEABRN CN(C(=O)C(F)(F)c1ccccn1)c1cccc(S(C)(=O)=O)c1 ZINC000195580410 464081504 /nfs/dbraw/zinc/08/15/04/464081504.db2.gz CLGPKDKQDRLAMP-UHFFFAOYSA-N 0 0 340.351 2.240 40 0 EEABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222753822 464132839 /nfs/dbraw/zinc/13/28/39/464132839.db2.gz ZSQGYYOYHVBOTK-DOTOQJQBSA-N 0 0 332.444 2.499 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(C)c(C)c2)n1 ZINC000224176168 464148084 /nfs/dbraw/zinc/14/80/84/464148084.db2.gz TYDCZEWPMHFMEI-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCSc2ccc(Cl)cc21 ZINC000225435976 464159500 /nfs/dbraw/zinc/15/95/00/464159500.db2.gz NYLPVKKQTLVKSD-VIFPVBQESA-N 0 0 348.877 2.059 40 0 EEABRN O=C(N[C@H]1CCC(=O)NC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000225438768 464160157 /nfs/dbraw/zinc/16/01/57/464160157.db2.gz OQEHPLJKPTYNQY-LBPRGKRZSA-N 0 0 326.318 2.132 40 0 EEABRN O=S(=O)(N[C@H](c1cncc(Br)c1)C1CC1)C1CC1 ZINC000225453733 464160914 /nfs/dbraw/zinc/16/09/14/464160914.db2.gz RNJGCFSKJGJLGM-LBPRGKRZSA-N 0 0 331.235 2.377 40 0 EEABRN COc1cccc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000263712351 464163197 /nfs/dbraw/zinc/16/31/97/464163197.db2.gz IHCJIXMPFIMGAU-MSOLQXFVSA-N 0 0 326.396 2.195 40 0 EEABRN CCc1ncnc(N2CC[C@@H](Oc3cccnc3N(C)C)C2)c1F ZINC000225575436 464173577 /nfs/dbraw/zinc/17/35/77/464173577.db2.gz OFZUTNHDXTWSGD-GFCCVEGCSA-N 0 0 331.395 2.297 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000225623804 464176672 /nfs/dbraw/zinc/17/66/72/464176672.db2.gz XFVIAEZOHZXBBR-GHMZBOCLSA-N 0 0 325.400 2.160 40 0 EEABRN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Cc1c(C)noc1C ZINC000225711037 464181518 /nfs/dbraw/zinc/18/15/18/464181518.db2.gz SLGNZGKIEHNZOL-LJQANCHMSA-N 0 0 344.411 2.183 40 0 EEABRN COc1ccc(CNC(=O)C2CCN(CC(F)F)CC2)c(OC)c1 ZINC000225799885 464181642 /nfs/dbraw/zinc/18/16/42/464181642.db2.gz ZMPFPKOUGFTUOI-UHFFFAOYSA-N 0 0 342.386 2.297 40 0 EEABRN COc1ccc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c(C)n1 ZINC000284662629 464283480 /nfs/dbraw/zinc/28/34/80/464283480.db2.gz NAOKBXMPFCAWHD-UHFFFAOYSA-N 0 0 336.436 2.461 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1ccnc1C(=O)c1cccnc1 ZINC000188905512 464393544 /nfs/dbraw/zinc/39/35/44/464393544.db2.gz IFAOOLVBKLJSNI-OKILXGFUSA-N 0 0 326.400 2.299 40 0 EEABRN Cc1ccc(-c2noc(NCc3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000240454734 464446394 /nfs/dbraw/zinc/44/63/94/464446394.db2.gz FYJCOEUCFXVPDX-UHFFFAOYSA-N 0 0 344.396 2.305 40 0 EEABRN Fc1cnc(N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)nc1 ZINC000247538352 464691955 /nfs/dbraw/zinc/69/19/55/464691955.db2.gz RHFGWQSJOHUYDC-CQSZACIVSA-N 0 0 332.404 2.292 40 0 EEABRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000285783059 464694892 /nfs/dbraw/zinc/69/48/92/464694892.db2.gz WYPTVBIENWAAQF-UHFFFAOYSA-N 0 0 349.374 2.418 40 0 EEABRN O=C(c1ccoc1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 ZINC000247891327 464713359 /nfs/dbraw/zinc/71/33/59/464713359.db2.gz YTDMFVZMEKURSC-CQSZACIVSA-N 0 0 337.383 2.255 40 0 EEABRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000248836358 464807982 /nfs/dbraw/zinc/80/79/82/464807982.db2.gz NBOFBWBHYBNTEB-KZNAEPCWSA-N 0 0 342.439 2.109 40 0 EEABRN Cc1c(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cnn1C ZINC000176807513 464856564 /nfs/dbraw/zinc/85/65/64/464856564.db2.gz BSTALWPEFKXMSA-OAHLLOKOSA-N 0 0 340.427 2.011 40 0 EEABRN O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249574970 464892833 /nfs/dbraw/zinc/89/28/33/464892833.db2.gz ABHYOYNAXAHRGT-KSZLIROESA-N 0 0 340.427 2.298 40 0 EEABRN CCOc1ccc(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cn1 ZINC000192319177 464905572 /nfs/dbraw/zinc/90/55/72/464905572.db2.gz AUCNABSEHFPTEC-OAHLLOKOSA-N 0 0 345.403 2.302 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NCc1nnc(C(C)C)s1 ZINC000252485014 464961977 /nfs/dbraw/zinc/96/19/77/464961977.db2.gz GMGWLRBDCLGWNF-UHFFFAOYSA-N 0 0 341.458 2.457 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)NCC(C)(C)c2ccncc2)C[C@H]1C ZINC000252486208 464963295 /nfs/dbraw/zinc/96/32/95/464963295.db2.gz HJJJHLNKCALTMQ-FZKQIMNGSA-N 0 0 333.432 2.200 40 0 EEABRN C[C@H](c1cccnc1)N(C)C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000252500446 464972293 /nfs/dbraw/zinc/97/22/93/464972293.db2.gz SVWLWDSUXPRJQT-BXUZGUMPSA-N 0 0 333.388 2.088 40 0 EEABRN CC(C)c1nn(C)cc1NC(=O)N(CCO)C1CCSCC1 ZINC000252508075 464975018 /nfs/dbraw/zinc/97/50/18/464975018.db2.gz XCAAIVRKQATUHN-UHFFFAOYSA-N 0 0 326.466 2.265 40 0 EEABRN COC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000252514244 464978494 /nfs/dbraw/zinc/97/84/94/464978494.db2.gz BKDRSCVPSOMDNX-KURKYZTESA-N 0 0 349.427 2.418 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000192693060 464979065 /nfs/dbraw/zinc/97/90/65/464979065.db2.gz ZQJALDHZPZNJLH-OLZOCXBDSA-N 0 0 328.420 2.358 40 0 EEABRN CCc1cccc(S(=O)(=O)NC2CCN(CC(F)F)CC2)c1 ZINC000192837569 465008422 /nfs/dbraw/zinc/00/84/22/465008422.db2.gz XYOOJMFUOZIWIW-UHFFFAOYSA-N 0 0 332.416 2.257 40 0 EEABRN CCn1cnc2c1ncnc2N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000253421301 465009216 /nfs/dbraw/zinc/00/92/16/465009216.db2.gz UITLXHWUFOBNEJ-AWEZNQCLSA-N 0 0 342.447 2.439 40 0 EEABRN C[C@H](CNC(=O)N1Cc2ccccc2C2(CC2)C1)CN1CCOCC1 ZINC000184700287 465019688 /nfs/dbraw/zinc/01/96/88/465019688.db2.gz CSHVIRQIANHTCJ-MRXNPFEDSA-N 0 0 343.471 2.212 40 0 EEABRN CCc1nnc([C@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)CCO2)[nH]1 ZINC000367071363 466110069 /nfs/dbraw/zinc/11/00/69/466110069.db2.gz JUNIGGYMTQWUDO-GHMZBOCLSA-N 0 0 328.363 2.093 40 0 EEABRN CS(=O)(=O)c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)o1 ZINC000331960023 466323292 /nfs/dbraw/zinc/32/32/92/466323292.db2.gz JXDNGDNTAHYABV-UHFFFAOYSA-N 0 0 339.335 2.488 40 0 EEABRN c1csc(CN2Cc3ccnn3[C@@H](COc3ccccn3)C2)n1 ZINC000306126003 466488309 /nfs/dbraw/zinc/48/83/09/466488309.db2.gz DIUXLVQUVVIDCE-CQSZACIVSA-N 0 0 327.413 2.371 40 0 EEABRN CCN1CCC[C@@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O ZINC000306140287 466494262 /nfs/dbraw/zinc/49/42/62/466494262.db2.gz UOZFGKYRHNQPIA-MRXNPFEDSA-N 0 0 337.370 2.192 40 0 EEABRN Cc1ccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)cc1 ZINC000408571395 466680881 /nfs/dbraw/zinc/68/08/81/466680881.db2.gz OPLHMKUJUYHDGS-UHFFFAOYSA-N 0 0 335.363 2.256 40 0 EEABRN COC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 ZINC000408568699 466681332 /nfs/dbraw/zinc/68/13/32/466681332.db2.gz IJILVOPVDCPUDK-UHFFFAOYSA-N 0 0 328.368 2.010 40 0 EEABRN CC(C)CNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000409195615 466687008 /nfs/dbraw/zinc/68/70/08/466687008.db2.gz JLVUODOEVYXUMV-UHFFFAOYSA-N 0 0 326.462 2.078 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C ZINC000409383636 466687411 /nfs/dbraw/zinc/68/74/11/466687411.db2.gz YRPBKYMIDGWUEH-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000409409864 466687745 /nfs/dbraw/zinc/68/77/45/466687745.db2.gz JRIASJZUSUIUHW-AWEZNQCLSA-N 0 0 326.462 2.312 40 0 EEABRN CN(C)S(=O)(=O)CC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000390835263 467415197 /nfs/dbraw/zinc/41/51/97/467415197.db2.gz IDSMOKXCSQJWBH-MRXNPFEDSA-N 0 0 344.436 2.057 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccnc1 ZINC000575405178 468141454 /nfs/dbraw/zinc/14/14/54/468141454.db2.gz WTAABKYOFFTNQL-PVAVHDDUSA-N 0 0 330.428 2.262 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 ZINC000575405883 468142588 /nfs/dbraw/zinc/14/25/88/468142588.db2.gz UROPLPAMPKBYJY-OLMNPRSZSA-N 0 0 325.412 2.467 40 0 EEABRN Cn1cc(-c2cncc(CNC(=O)Cn3cnc4ccccc43)c2)cn1 ZINC000575414274 468142615 /nfs/dbraw/zinc/14/26/15/468142615.db2.gz ACYBESISWYGJSA-UHFFFAOYSA-N 0 0 346.394 2.148 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000575406208 468142709 /nfs/dbraw/zinc/14/27/09/468142709.db2.gz VZIBIKGPFZPFEU-FHLIZLRMSA-N 0 0 325.412 2.467 40 0 EEABRN CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@H](c3ccccn3)C2)cn1 ZINC000575605974 468145773 /nfs/dbraw/zinc/14/57/73/468145773.db2.gz FTVYETAUGRLCJB-BVBGJJFLSA-N 0 0 336.395 2.464 40 0 EEABRN O=C(Cc1ccccc1Cl)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575607835 468147108 /nfs/dbraw/zinc/14/71/08/468147108.db2.gz PRKKEONEJSMMEV-INIZCTEOSA-N 0 0 336.863 2.500 40 0 EEABRN Cc1cc(C(=O)N2C[C@]3(CCN(C)C3=O)CC(F)(F)C2)cc(C)n1 ZINC000585093443 468963014 /nfs/dbraw/zinc/96/30/14/468963014.db2.gz WXUBXCOPONKATC-INIZCTEOSA-N 0 0 337.370 2.028 40 0 EEABRN CCCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C ZINC000585096394 468964615 /nfs/dbraw/zinc/96/46/15/468964615.db2.gz LTTWRHKJVSMGIY-GFCCVEGCSA-N 0 0 330.388 2.109 40 0 EEABRN CC1CCN(C(=O)[C@@H]2CN(Cc3ccco3)Cc3ncn(C)c32)CC1 ZINC000585110870 468973876 /nfs/dbraw/zinc/97/38/76/468973876.db2.gz RSTZXGNTBPDDDM-MRXNPFEDSA-N 0 0 342.443 2.371 40 0 EEABRN COc1cc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)CO)ncn1 ZINC000585140330 468989258 /nfs/dbraw/zinc/98/92/58/468989258.db2.gz BUDRDDJXPPZQAA-HNNXBMFYSA-N 0 0 330.388 2.367 40 0 EEABRN Cc1ncccc1CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276863 469001842 /nfs/dbraw/zinc/00/18/42/469001842.db2.gz SBYVPVKJZDDEMB-IBGZPJMESA-N 0 0 330.403 2.335 40 0 EEABRN COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223932200 485533598 /nfs/dbraw/zinc/53/35/98/485533598.db2.gz KINYWUYKVRNJOB-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN Cc1nc(NC(=S)NCCN2CCOCC2)c(Cl)cc1Cl ZINC000223891283 485533719 /nfs/dbraw/zinc/53/37/19/485533719.db2.gz XCWVTKHQVUTHSX-UHFFFAOYSA-N 0 0 349.287 2.315 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2cccc(OC)c2)ccc1C ZINC000223895008 485534021 /nfs/dbraw/zinc/53/40/21/485534021.db2.gz AZNAGTAFPAAMBU-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN Cc1occc1CN(C)c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000672187743 486068265 /nfs/dbraw/zinc/06/82/65/486068265.db2.gz WJYWPTVNPHBGNR-UHFFFAOYSA-N 0 0 335.429 2.404 40 0 EEABRN Cc1cc(N2CCN(C(=O)c3ccc(F)cn3)CC2)nc(C(C)C)n1 ZINC000184037780 533899419 /nfs/dbraw/zinc/89/94/19/533899419.db2.gz UYAFARGNVOBVSM-UHFFFAOYSA-N 0 0 343.406 2.405 40 0 EEABRN O=C(CCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000095404136 534467462 /nfs/dbraw/zinc/46/74/62/534467462.db2.gz YNPJQZWUUSKNOY-INIZCTEOSA-N 0 0 332.469 2.186 40 0 EEABRN Cc1nc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)n(C)n1 ZINC000183754832 534483448 /nfs/dbraw/zinc/48/34/48/534483448.db2.gz FCKFQFOXKSNGSG-UHFFFAOYSA-N 0 0 348.428 2.092 40 0 EEABRN Cc1cnc([C@@H](C)CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000184438871 534603615 /nfs/dbraw/zinc/60/36/15/534603615.db2.gz QKWSCOYTOFYLCF-WCQYABFASA-N 0 0 333.461 2.488 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000095404499 534686328 /nfs/dbraw/zinc/68/63/28/534686328.db2.gz UBHLJIVXNXWCHZ-HOTGVXAUSA-N 0 0 340.431 2.430 40 0 EEABRN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC[C@@H]1CCCO1 ZINC000189178258 534798281 /nfs/dbraw/zinc/79/82/81/534798281.db2.gz PNISYISJJOPHPV-XJKSGUPXSA-N 0 0 327.384 2.200 40 0 EEABRN CCc1ccc2c(c1)CCN2C(=O)NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000895603236 684657273 /nfs/dbraw/zinc/65/72/73/684657273.db2.gz VFSLCDPCYPXIFJ-OAHLLOKOSA-N 0 0 341.415 2.491 40 0 EEABRN Cc1nc2n(n1)C[C@H](C(=O)N1CC(c3cccc(Cl)c3)C1)CC2 ZINC000899154934 693635695 /nfs/dbraw/zinc/63/56/95/693635695.db2.gz KACJSTYVBROJIA-CYBMUJFWSA-N 0 0 330.819 2.428 40 0 EEABRN O=C(Nc1cc(F)ccc1OC(F)F)c1cnc2n1CCOC2 ZINC000585141568 1184703834 /nfs/dbraw/zinc/70/38/34/1184703834.db2.gz CWRAPQUVBTYPII-UHFFFAOYSA-N 0 0 327.262 2.406 40 0 EEABRN O=C(CN1CCc2cccc(Br)c2C1)Nc1cccnn1 ZINC000929672492 1410238868 /nfs/dbraw/zinc/23/88/68/1410238868.db2.gz OYBKXMLNMPRPOA-UHFFFAOYSA-N 0 0 347.216 2.236 40 0 EEABRN COC(=O)c1cc(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000057634955 214438615 /nfs/dbraw/zinc/43/86/15/214438615.db2.gz YPSAZYWXRLAZLN-GHMZBOCLSA-N 0 0 340.807 2.174 40 0 EEABRN CCc1c[nH]c(S(=O)(=O)Cc2csc(-c3ccccn3)n2)n1 ZINC000096474351 529501247 /nfs/dbraw/zinc/50/12/47/529501247.db2.gz PRUVZZLSNBRITN-UHFFFAOYSA-N 0 0 334.426 2.465 40 0 EEABRN CC[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1ccncc1 ZINC000131246108 529664670 /nfs/dbraw/zinc/66/46/70/529664670.db2.gz LNPSPLONHDKHDY-MRXNPFEDSA-N 0 0 326.400 2.194 40 0 EEABRN CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008471201 201748793 /nfs/dbraw/zinc/74/87/93/201748793.db2.gz GOPGLGXQFLRZMN-UHFFFAOYSA-N 0 0 338.473 2.392 40 0 EEABRN COc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012222597 201834538 /nfs/dbraw/zinc/83/45/38/201834538.db2.gz QIRBCOUWINYXNW-UHFFFAOYSA-N 0 0 339.443 2.226 40 0 EEABRN Cc1nc2ncccc2c([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)n1 ZINC000013228036 201888946 /nfs/dbraw/zinc/88/89/46/201888946.db2.gz YIRRGMQIWIKIAN-ZFWWWQNUSA-N 0 0 326.400 2.218 40 0 EEABRN COC(=O)c1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000068767609 215332871 /nfs/dbraw/zinc/33/28/71/215332871.db2.gz YHJGLELHQBJYRW-UHFFFAOYSA-N 0 0 341.289 2.005 40 0 EEABRN COc1ccc(OC[C@@H](C)NC(=O)c2cnn3cc(C)cnc23)cc1 ZINC000019239323 202000888 /nfs/dbraw/zinc/00/08/88/202000888.db2.gz JOYNMXXBIAGEBA-CYBMUJFWSA-N 0 0 340.383 2.244 40 0 EEABRN CC(C)[C@H](NC(=O)c1ccncc1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445657 202006700 /nfs/dbraw/zinc/00/67/00/202006700.db2.gz IPGKUULWCXTQEK-KRWDZBQOSA-N 0 0 349.394 2.354 40 0 EEABRN O=C(CCn1cccn1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019406109 202006886 /nfs/dbraw/zinc/00/68/86/202006886.db2.gz JFHPGQJGRRRGSA-MRXNPFEDSA-N 0 0 336.399 2.422 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746718 202018099 /nfs/dbraw/zinc/01/80/99/202018099.db2.gz HJIWBNQOLUXTCO-GOSISDBHSA-N 0 0 332.448 2.030 40 0 EEABRN C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NC2CCOCC2)n1 ZINC000019457445 202009059 /nfs/dbraw/zinc/00/90/59/202009059.db2.gz RZQNASAWIGSYHK-JTQLQIEISA-N 0 0 337.811 2.014 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019462837 202009349 /nfs/dbraw/zinc/00/93/49/202009349.db2.gz SQYVHMREEFBMJU-GXSJLCMTSA-N 0 0 335.358 2.424 40 0 EEABRN Cc1ccc2c(cc(C(=O)N3CC(C(=O)NCC4CC4)C3)n2C)c1 ZINC000019748657 202017742 /nfs/dbraw/zinc/01/77/42/202017742.db2.gz AZWVDVOCHMWQQQ-UHFFFAOYSA-N 0 0 325.412 2.085 40 0 EEABRN Cc1ncncc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746668 202018544 /nfs/dbraw/zinc/01/85/44/202018544.db2.gz LCNLZRNMDJXSAX-GOSISDBHSA-N 0 0 330.432 2.086 40 0 EEABRN CNc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)nc2c1CN(C)CC2 ZINC000019753788 202018904 /nfs/dbraw/zinc/01/89/04/202018904.db2.gz MEOMKIJOTHKRSL-CQSZACIVSA-N 0 0 343.475 2.012 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000020106412 202031488 /nfs/dbraw/zinc/03/14/88/202031488.db2.gz ZISGCFHSUCOUKR-UHFFFAOYSA-N 0 0 333.409 2.435 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449297 202043429 /nfs/dbraw/zinc/04/34/29/202043429.db2.gz YOMWWWADNRGOEP-NSHDSACASA-N 0 0 348.399 2.325 40 0 EEABRN COc1ccc(-c2cc(CC3(NC(=O)C4CC4)COC3)no2)cc1 ZINC000067898466 202043841 /nfs/dbraw/zinc/04/38/41/202043841.db2.gz ZVYSJGFHQDCAOC-UHFFFAOYSA-N 0 0 328.368 2.188 40 0 biogenic,in-vitro EEABRN COc1ccc([C@@H](O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000022113542 202079555 /nfs/dbraw/zinc/07/95/55/202079555.db2.gz GACSXPSYHLPYQG-INIZCTEOSA-N 0 0 336.432 2.281 40 0 EEABRN Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1 ZINC000038511282 202138732 /nfs/dbraw/zinc/13/87/32/202138732.db2.gz DWOLMRIEVMMXJL-CYBMUJFWSA-N 0 0 338.411 2.209 40 0 EEABRN CC(=O)Nc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000040042720 202167013 /nfs/dbraw/zinc/16/70/13/202167013.db2.gz YSVTXPJRPJYVGW-KRWDZBQOSA-N 0 0 326.352 2.101 40 0 EEABRN CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508573 202226204 /nfs/dbraw/zinc/22/62/04/202226204.db2.gz CPCVNKIDSGQCEI-NWDGAFQWSA-N 0 0 330.862 2.040 40 0 EEABRN Cn1cnc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c1 ZINC000069118622 202269251 /nfs/dbraw/zinc/26/92/51/202269251.db2.gz BHXDOTGMOCEWND-UHFFFAOYSA-N 0 0 325.459 2.272 40 0 EEABRN Cn1nccc1C(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000071195777 202342820 /nfs/dbraw/zinc/34/28/20/202342820.db2.gz UNMFUZRTRFELSG-OAHLLOKOSA-N 0 0 334.383 2.080 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@H]1c1ccccc1F ZINC000072241529 202358103 /nfs/dbraw/zinc/35/81/03/202358103.db2.gz NPDONOZYORSMCQ-HZPDHXFCSA-N 0 0 348.399 2.102 40 0 EEABRN O=C(CN1CCC[C@@H]1CO)Nc1c(F)cc(F)cc1Br ZINC000072515509 202364007 /nfs/dbraw/zinc/36/40/07/202364007.db2.gz GKAKSCCFJSBMCN-SECBINFHSA-N 0 0 349.175 2.123 40 0 EEABRN C[C@H](c1ccc(Cl)cc1)N1CCN(CCCS(C)(=O)=O)CC1 ZINC000075863309 202379784 /nfs/dbraw/zinc/37/97/84/202379784.db2.gz MUKMRZNKVFDBLS-CQSZACIVSA-N 0 0 344.908 2.453 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccccc2Cl)on1 ZINC000078556364 202397749 /nfs/dbraw/zinc/39/77/49/202397749.db2.gz BBVZGDFAQOGPSN-SECBINFHSA-N 0 0 328.777 2.437 40 0 EEABRN Cc1ccc(Br)cc1C(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000076906761 202389202 /nfs/dbraw/zinc/38/92/02/202389202.db2.gz QGQGHGVCXABKNY-SNVBAGLBSA-N 0 0 333.203 2.101 40 0 EEABRN Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc1Cl ZINC000079310551 202432718 /nfs/dbraw/zinc/43/27/18/202432718.db2.gz PVPGGSOMDNRYMO-UHFFFAOYSA-N 0 0 342.892 2.221 40 0 EEABRN NC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000079310143 202432721 /nfs/dbraw/zinc/43/27/21/202432721.db2.gz CEOYURZHLGUROC-KRWDZBQOSA-N 0 0 342.370 2.495 40 0 EEABRN Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)Cn1cncn1 ZINC000079028822 202417744 /nfs/dbraw/zinc/41/77/44/202417744.db2.gz RJSUIKBHAKMAAL-SNVBAGLBSA-N 0 0 325.319 2.398 40 0 EEABRN Cc1nc(NCc2cncnc2)ccc1I ZINC000189353276 201048835 /nfs/dbraw/zinc/04/88/35/201048835.db2.gz BDVPCMIZDIXWHX-UHFFFAOYSA-N 0 0 326.141 2.397 40 0 EEABRN C[C@H](CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1)c1nccs1 ZINC000184302373 201037553 /nfs/dbraw/zinc/03/75/53/201037553.db2.gz KUVULYDLZIRVPB-OLZOCXBDSA-N 0 0 339.461 2.431 40 0 EEABRN C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1cccc(N2CCCC2=O)c1 ZINC000191680734 201052246 /nfs/dbraw/zinc/05/22/46/201052246.db2.gz UQDFBPNHWWFVEI-FMKPAKJESA-N 0 0 345.443 2.144 40 0 EEABRN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCCc1ccccc1 ZINC000014001020 201057660 /nfs/dbraw/zinc/05/76/60/201057660.db2.gz FHEMTXBZJPSULM-UHFFFAOYSA-N 0 0 346.390 2.237 40 0 EEABRN NC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000045888104 201104974 /nfs/dbraw/zinc/10/49/74/201104974.db2.gz KYJPOCBVJDPBRZ-JTQLQIEISA-N 0 0 341.333 2.144 40 0 EEABRN COC(=O)c1nnc2sc(-c3ccccc3Br)nn21 ZINC000057332601 201138904 /nfs/dbraw/zinc/13/89/04/201138904.db2.gz YKNLGCCJFWVBEH-UHFFFAOYSA-N 0 0 339.174 2.402 40 0 EEABRN Cc1cccc(CS(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000240067808 201153169 /nfs/dbraw/zinc/15/31/69/201153169.db2.gz SCPXFKRNZYVABM-MRXNPFEDSA-N 0 0 346.456 2.241 40 0 EEABRN COc1ccccc1CN(C[C@@H]1CCCO1)c1nccn2cnnc12 ZINC000271308008 201242711 /nfs/dbraw/zinc/24/27/11/201242711.db2.gz HYPDQDQMVDSDAP-HNNXBMFYSA-N 0 0 339.399 2.319 40 0 EEABRN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(F)(F)[C@H](CO)C1 ZINC000292099434 201341690 /nfs/dbraw/zinc/34/16/90/201341690.db2.gz KZVOOMAUPZSTRP-AWEZNQCLSA-N 0 0 345.411 2.204 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C(C)C)C1CCC1 ZINC000084550790 202554774 /nfs/dbraw/zinc/55/47/74/202554774.db2.gz OVKOVTUBWWOVJA-UHFFFAOYSA-N 0 0 328.434 2.241 40 0 EEABRN Cc1cccc(N(C)C(=O)c2ccc(CNS(C)(=O)=O)o2)c1C ZINC000084752350 202565147 /nfs/dbraw/zinc/56/51/47/202565147.db2.gz VDSGSKODDCJXHZ-UHFFFAOYSA-N 0 0 336.413 2.222 40 0 EEABRN COC(=O)CCC(=O)Nc1ccc(I)cc1C ZINC000000050315 201426874 /nfs/dbraw/zinc/42/68/74/201426874.db2.gz AEHPDZWXCFQAAA-UHFFFAOYSA-N 0 0 347.152 2.491 40 0 EEABRN CCC[C@]1(COC)CCCN1C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000193851544 240335124 /nfs/dbraw/zinc/33/51/24/240335124.db2.gz DDEOFJFRDUZRCM-KBXCAEBGSA-N 0 0 349.479 2.146 40 0 EEABRN C[C@]1(C(=O)NC2CCSCC2)Oc2ccc(Cl)cc2NC1=O ZINC000041549601 291360337 /nfs/dbraw/zinc/36/03/37/291360337.db2.gz CGMCQAARHYCIMJ-OAHLLOKOSA-N 0 0 340.832 2.441 40 0 EEABRN C[C@H](O)[C@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000195560206 241010208 /nfs/dbraw/zinc/01/02/08/241010208.db2.gz DNILYKQOQWIWQQ-AAEUAGOBSA-N 0 0 341.249 2.404 40 0 EEABRN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(CCO)C1CC1 ZINC000195577763 241024150 /nfs/dbraw/zinc/02/41/50/241024150.db2.gz ARECWRYXCANPFB-UHFFFAOYSA-N 0 0 328.192 2.278 40 0 EEABRN CN(C)c1ccc(O[C@H]2CCN(C(=O)CCC3CCCC3)C2)nn1 ZINC000225444101 241865139 /nfs/dbraw/zinc/86/51/39/241865139.db2.gz BLUCIQPTIIIOTJ-HNNXBMFYSA-N 0 0 332.448 2.493 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n[nH]1 ZINC000225557796 241926418 /nfs/dbraw/zinc/92/64/18/241926418.db2.gz GOYCPWKPFNJYCN-UHFFFAOYSA-N 0 0 337.383 2.010 40 0 EEABRN COc1nccnc1O[C@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000225807438 242047003 /nfs/dbraw/zinc/04/70/03/242047003.db2.gz PCPLFQIEPPQGPQ-INIZCTEOSA-N 0 0 341.411 2.488 40 0 EEABRN CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(OCC)cc2)c1=O ZINC000225967621 242081242 /nfs/dbraw/zinc/08/12/42/242081242.db2.gz AZDODYIFGMUGBW-UHFFFAOYSA-N 0 0 330.340 2.011 40 0 EEABRN CCn1nc(C)cc1CNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000226745287 242111921 /nfs/dbraw/zinc/11/19/21/242111921.db2.gz FTSVTKBKVHJESS-UHFFFAOYSA-N 0 0 326.404 2.040 40 0 EEABRN CC(C)CCOCCOCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004692289 201611975 /nfs/dbraw/zinc/61/19/75/201611975.db2.gz DHCGAAHAIHWWJT-YVSFHVDLSA-N 0 0 335.444 2.263 40 0 EEABRN O=C(NC[C@@H]1CCSC1)N1CCCN(CC(F)(F)F)CC1 ZINC000242048099 243011182 /nfs/dbraw/zinc/01/11/82/243011182.db2.gz VSSDMSQMUOISBD-NSHDSACASA-N 0 0 325.400 2.019 40 0 EEABRN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000242273721 243015954 /nfs/dbraw/zinc/01/59/54/243015954.db2.gz YFKUKHFPQDIMGD-IUODEOHRSA-N 0 0 330.436 2.172 40 0 EEABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(C)C)cc1 ZINC000020901435 212184635 /nfs/dbraw/zinc/18/46/35/212184635.db2.gz DASHCGJEGHUVEG-UHFFFAOYSA-N 0 0 340.489 2.422 40 0 EEABRN Cc1cncc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000241862517 243003431 /nfs/dbraw/zinc/00/34/31/243003431.db2.gz SQUXEVCCVUTJHO-UHFFFAOYSA-N 0 0 345.468 2.333 40 0 EEABRN O=C(NC[C@H]1CCSC1)N1CCCN(CC(F)(F)F)CC1 ZINC000242048098 243009595 /nfs/dbraw/zinc/00/95/95/243009595.db2.gz VSSDMSQMUOISBD-LLVKDONJSA-N 0 0 325.400 2.019 40 0 EEABRN CC(=O)N(CCN1CCN(C(C)=O)CC1)C[C@H]1[C@H](C)C=C(C)C[C@H]1C ZINC000020791483 212172817 /nfs/dbraw/zinc/17/28/17/212172817.db2.gz HRUBGZMAOSUVOK-HLIPFELVSA-N 0 0 349.519 2.237 40 0 EEABRN O=C(c1ncccn1)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 ZINC000247860820 243466831 /nfs/dbraw/zinc/46/68/31/243466831.db2.gz MPSQSJVMVMKJKU-MRXNPFEDSA-N 0 0 345.443 2.305 40 0 EEABRN O=S(=O)(c1ccc(F)s1)N1CCN(Cc2ccccc2)CC1 ZINC000252483446 243773008 /nfs/dbraw/zinc/77/30/08/243773008.db2.gz FBTAPQWIOWTKSU-UHFFFAOYSA-N 0 0 340.445 2.394 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)NCCc2cnc(C3CC3)nc2)no1 ZINC000253413926 243929570 /nfs/dbraw/zinc/92/95/70/243929570.db2.gz RKYZEAROEHZGBJ-CQSZACIVSA-N 0 0 342.403 2.135 40 0 EEABRN O=C(Nc1cc[nH]n1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000072046039 203159782 /nfs/dbraw/zinc/15/97/82/203159782.db2.gz BJBBNGMFFDVZIN-UHFFFAOYSA-N 0 0 328.372 2.397 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257219957 244182997 /nfs/dbraw/zinc/18/29/97/244182997.db2.gz DIYYRRNFRYLGKI-HNNXBMFYSA-N 0 0 347.382 2.139 40 0 EEABRN Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3cc(N)nc(C)n3)cn2c1 ZINC000257243195 244251663 /nfs/dbraw/zinc/25/16/63/244251663.db2.gz IFVZFLVORPHFPW-OAHLLOKOSA-N 0 0 336.399 2.301 40 0 EEABRN Cc1nccnc1CC[C@@H]1COCCN1Cc1ccnn1C(C)C ZINC000257238693 244234470 /nfs/dbraw/zinc/23/44/70/244234470.db2.gz HMBWTOMRSBYYKC-QGZVFWFLSA-N 0 0 329.448 2.396 40 0 EEABRN CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C(F)F)cc1 ZINC000072341004 203203841 /nfs/dbraw/zinc/20/38/41/203203841.db2.gz AHCKFNRMCBVURH-CYBMUJFWSA-N 0 0 332.310 2.164 40 0 EEABRN CNc1ncccc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339906 203203870 /nfs/dbraw/zinc/20/38/70/203203870.db2.gz CPNUWERIAUFTMY-UHFFFAOYSA-N 0 0 348.410 2.239 40 0 EEABRN CC(=O)N1CCC[C@@H](c2cncc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072354324 203205199 /nfs/dbraw/zinc/20/51/99/203205199.db2.gz KGMDQCAAPXWPCZ-CQSZACIVSA-N 0 0 326.404 2.353 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cnc(C(=O)NCC(C)(C)C)cn2)C1 ZINC000072369470 203208818 /nfs/dbraw/zinc/20/88/18/203208818.db2.gz MFEBGLCXLLUSFC-CQSZACIVSA-N 0 0 332.448 2.054 40 0 EEABRN Nc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 ZINC000257248811 244262777 /nfs/dbraw/zinc/26/27/77/244262777.db2.gz JFHMKUCJXIVNNU-MRXNPFEDSA-N 0 0 338.411 2.151 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H](Cc3n[nH]cc3C)C2)n1 ZINC000257259049 244290945 /nfs/dbraw/zinc/29/09/45/244290945.db2.gz KWQJRLLUSXTFLE-CYBMUJFWSA-N 0 0 331.420 2.077 40 0 EEABRN CNC(=O)CC1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000074870969 203295969 /nfs/dbraw/zinc/29/59/69/203295969.db2.gz MJHBTHFCYRMYNX-MRXNPFEDSA-N 0 0 345.443 2.458 40 0 EEABRN Cc1cn(C)c([C@H]2CN(Cc3c(C)nc4sccn34)CCO2)n1 ZINC000257281005 244407064 /nfs/dbraw/zinc/40/70/64/244407064.db2.gz ONHBYIDJFJDMKR-CQSZACIVSA-N 0 0 331.445 2.320 40 0 EEABRN CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019946293 212089363 /nfs/dbraw/zinc/08/93/63/212089363.db2.gz FFOWBXDEWFVTMN-UHFFFAOYSA-N 0 0 332.425 2.245 40 0 EEABRN C[C@@]1(c2ncc(CNS(=O)(=O)c3ccccc3)cn2)CCCCO1 ZINC000257292864 244440822 /nfs/dbraw/zinc/44/08/22/244440822.db2.gz QNGHWUKRGUAVJH-KRWDZBQOSA-N 0 0 347.440 2.371 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cncs2)nc1 ZINC000257298923 244457804 /nfs/dbraw/zinc/45/78/04/244457804.db2.gz RNWKCYKKXHVNDJ-AWEZNQCLSA-N 0 0 330.413 2.152 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 ZINC000257325987 244534423 /nfs/dbraw/zinc/53/44/23/244534423.db2.gz WVHKILATACIPPI-INIZCTEOSA-N 0 0 341.367 2.066 40 0 EEABRN C[S@](=O)c1nncn1Cc1cc(Br)ccc1Cl ZINC000079031509 203438040 /nfs/dbraw/zinc/43/80/40/203438040.db2.gz HPINIKAMIQRHEP-QGZVFWFLSA-N 0 0 334.626 2.480 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041794 203802835 /nfs/dbraw/zinc/80/28/35/203802835.db2.gz KTUCOACFAGWMOE-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(OC)cc1 ZINC000096518656 203893375 /nfs/dbraw/zinc/89/33/75/203893375.db2.gz SNZBBFDMOUYUNR-LBPRGKRZSA-N 0 0 335.219 2.424 40 0 EEABRN CCc1cnc(N2C[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)nc1 ZINC000096161832 203849213 /nfs/dbraw/zinc/84/92/13/203849213.db2.gz AMPWNEAOLVGRQB-OKILXGFUSA-N 0 0 328.441 2.309 40 0 EEABRN Cc1cc(C(=O)N2C[C@H]3OC[C@H](c4nnc(C)o4)[C@H]3C2)sc1C ZINC000096218977 203873381 /nfs/dbraw/zinc/87/33/81/203873381.db2.gz VRHQGAWTPJRKRC-FRRDWIJNSA-N 0 0 333.413 2.311 40 0 EEABRN CCOCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000042646169 204115331 /nfs/dbraw/zinc/11/53/31/204115331.db2.gz MORVSHPUOZQDPB-UHFFFAOYSA-N 0 0 343.221 2.239 40 0 EEABRN Cn1ccnc1CN1CCC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000107228386 204227526 /nfs/dbraw/zinc/22/75/26/204227526.db2.gz LJMGIXYBAWQKOI-SJLPKXTDSA-N 0 0 327.432 2.051 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(CC3CCC3)C2=O)CC1 ZINC000108529716 204265524 /nfs/dbraw/zinc/26/55/24/204265524.db2.gz PKGBHSLMBYWVDS-APWZRJJASA-N 0 0 334.460 2.054 40 0 EEABRN CC1(C)NC(=O)N(CCCC(=O)Nc2cnc3ccccc3c2)C1=O ZINC000044896407 204309280 /nfs/dbraw/zinc/30/92/80/204309280.db2.gz SIPILHKSXXSOTH-UHFFFAOYSA-N 0 0 340.383 2.284 40 0 EEABRN Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000130979118 205268990 /nfs/dbraw/zinc/26/89/90/205268990.db2.gz MEDRPXRPFLWPCZ-HNNXBMFYSA-N 0 0 328.416 2.404 40 0 EEABRN CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC[C@@H](C)C1 ZINC000001337964 205583066 /nfs/dbraw/zinc/58/30/66/205583066.db2.gz HRONMLVWNQBISY-CYBMUJFWSA-N 0 0 331.416 2.415 40 0 EEABRN C[C@@H](c1cccc(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000096495466 296232646 /nfs/dbraw/zinc/23/26/46/296232646.db2.gz YBMCPHLJEGHQDP-XJKSGUPXSA-N 0 0 342.892 2.206 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050806 296278683 /nfs/dbraw/zinc/27/86/83/296278683.db2.gz XVIXOTXSMNBXCD-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2 ZINC000095400807 218335724 /nfs/dbraw/zinc/33/57/24/218335724.db2.gz SSDMMOQOPAAYCH-LSDHHAIUSA-N 0 0 344.415 2.196 40 0 EEABRN C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000095401115 218335938 /nfs/dbraw/zinc/33/59/38/218335938.db2.gz FINSAAHWBXIJHD-MRXNPFEDSA-N 0 0 344.333 2.100 40 0 EEABRN O=C(NCC(F)(F)F)c1ccc(O[C@H]2CCN(C3CC3)C2=O)cc1 ZINC000095407250 218343309 /nfs/dbraw/zinc/34/33/09/218343309.db2.gz RMFQJQKWLDLORF-ZDUSSCGKSA-N 0 0 342.317 2.121 40 0 EEABRN Cc1cnc(C(=O)NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000095416896 218355692 /nfs/dbraw/zinc/35/56/92/218355692.db2.gz YMWQTHRGZNZAPU-UHFFFAOYSA-N 0 0 327.171 2.296 40 0 EEABRN CC1(C)CN(Cc2ccc(OCC(F)(F)F)nc2)CC[S@@]1=O ZINC000095422770 218365200 /nfs/dbraw/zinc/36/52/00/218365200.db2.gz GYHXKDARVCWEKO-JOCHJYFZSA-N 0 0 336.379 2.366 40 0 EEABRN Cc1cccc2c(NC3CCN(C(=O)c4cnccn4)CC3)ncnc12 ZINC000095426279 218368245 /nfs/dbraw/zinc/36/82/45/218368245.db2.gz RFEVWLPPOALHRP-UHFFFAOYSA-N 0 0 348.410 2.445 40 0 EEABRN CC[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)[C@@H]1CCCO1 ZINC000095440349 218384760 /nfs/dbraw/zinc/38/47/60/218384760.db2.gz YCQGADLDBCLQDZ-MNOVXSKESA-N 0 0 334.342 2.196 40 0 EEABRN CC(=O)c1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)nc1C ZINC000095448356 218392248 /nfs/dbraw/zinc/39/22/48/218392248.db2.gz GGEQBDUCPSYLQZ-UHFFFAOYSA-N 0 0 335.367 2.103 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000096192814 218661704 /nfs/dbraw/zinc/66/17/04/218661704.db2.gz IIWDXNOPUXDFJS-JCGVRSQUSA-N 0 0 332.400 2.214 40 0 EEABRN COc1ccc(-c2nc(CNC(=O)c3csc(C)n3)no2)cc1 ZINC000096407846 218760031 /nfs/dbraw/zinc/76/00/31/218760031.db2.gz KUSRMDKSALALFU-UHFFFAOYSA-N 0 0 330.369 2.440 40 0 EEABRN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000096420297 218784831 /nfs/dbraw/zinc/78/48/31/218784831.db2.gz YEDDSFBFXZLDSG-OAHLLOKOSA-N 0 0 344.386 2.355 40 0 EEABRN CCc1cc(N[C@H](Cn2cncn2)c2ccccc2)n2ncnc2n1 ZINC000096429592 218802995 /nfs/dbraw/zinc/80/29/95/218802995.db2.gz VSTWOERXDQNGKX-OAHLLOKOSA-N 0 0 334.387 2.132 40 0 EEABRN CCc1cc(NCCc2csc(N3CCCC3)n2)n2ncnc2n1 ZINC000096429623 218803420 /nfs/dbraw/zinc/80/34/20/218803420.db2.gz LIZNGZAKCOSZHG-UHFFFAOYSA-N 0 0 343.460 2.398 40 0 EEABRN O=C(NC[C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccon2)CC1 ZINC000096440103 218820922 /nfs/dbraw/zinc/82/09/22/218820922.db2.gz SGGRCACXWWPWHJ-AEFFLSMTSA-N 0 0 340.427 2.306 40 0 EEABRN COc1cc(NC(=O)N(CCO)C2CC2)ccc1Br ZINC000096446048 218829317 /nfs/dbraw/zinc/82/93/17/218829317.db2.gz UCZIPPLMPGFCDX-UHFFFAOYSA-N 0 0 329.194 2.446 40 0 EEABRN COc1c(F)cc(NC(=O)N(C)C2CCS(=O)CC2)cc1F ZINC000096466509 218846308 /nfs/dbraw/zinc/84/63/08/218846308.db2.gz YQQJDNPSBGRMGQ-UHFFFAOYSA-N 0 0 332.372 2.348 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)NCCOc1ccc(Cl)cn1 ZINC000096473274 218850981 /nfs/dbraw/zinc/85/09/81/218850981.db2.gz QQTDFOMXDOKZBV-UHFFFAOYSA-N 0 0 336.823 2.213 40 0 EEABRN O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@@H]1O ZINC000096483444 218858700 /nfs/dbraw/zinc/85/87/00/218858700.db2.gz RONFSHSEBLJEMU-STQMWFEESA-N 0 0 348.262 2.172 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2ccccn2)cc1 ZINC000257229853 286378781 /nfs/dbraw/zinc/37/87/81/286378781.db2.gz FZSJWCNHFQKAFF-GOSISDBHSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1cccn2c(CN3CCN(Cc4cscn4)CC3)cnc12 ZINC000352656417 162230572 /nfs/dbraw/zinc/23/05/72/162230572.db2.gz AIXWFVMNIHWWSK-UHFFFAOYSA-N 0 0 327.457 2.417 40 0 EEABRN COCCN1CC[C@@]2(CCCN(C(=O)c3ccoc3C)CC2)C1=O ZINC000108527340 292541795 /nfs/dbraw/zinc/54/17/95/292541795.db2.gz BSTKFEBEIQOOJQ-SFHVURJKSA-N 0 0 334.416 2.079 40 0 EEABRN CC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000013137001 278232970 /nfs/dbraw/zinc/23/29/70/278232970.db2.gz YGAIATAVOPJRDO-SCVCMEIPSA-N 0 0 336.697 2.150 40 0 EEABRN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@H]3C2=O)cc1Br ZINC000017952548 278817707 /nfs/dbraw/zinc/81/77/07/278817707.db2.gz RCLLHICYXSJKQX-MPZDIEGVSA-N 0 0 334.169 2.200 40 0 EEABRN Cc1cccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)n1 ZINC000096084618 281190522 /nfs/dbraw/zinc/19/05/22/281190522.db2.gz CMLHRKOQTPMCMH-UHFFFAOYSA-N 0 0 341.459 2.473 40 0 EEABRN COc1ccccc1[C@H]1Cn2ccnc2CN1CC(=O)N1CCCC1 ZINC000257239855 295414887 /nfs/dbraw/zinc/41/48/87/295414887.db2.gz HRBYOVPKBPJXRK-MRXNPFEDSA-N 0 0 340.427 2.071 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000245338839 302801070 /nfs/dbraw/zinc/80/10/70/302801070.db2.gz OVJGCMQQMJFEFF-CWRNSKLLSA-N 0 0 346.475 2.335 40 0 EEABRN NS(=O)(=O)c1cnc(N2CCC[C@@H]2/C=C/c2ccccc2)s1 ZINC000253425915 303445808 /nfs/dbraw/zinc/44/58/08/303445808.db2.gz UQSPTOYLDVKLFH-MMQHEFTJSA-N 0 0 335.454 2.473 40 0 EEABRN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 ZINC000331913158 311923094 /nfs/dbraw/zinc/92/30/94/311923094.db2.gz YOMAXUKGESXABB-GFCCVEGCSA-N 0 0 340.474 2.062 40 0 EEABRN CC1(C)c2cc(C(=O)Nc3nc4n(n3)CCCC4)ccc2NC1=O ZINC000333743743 312191300 /nfs/dbraw/zinc/19/13/00/312191300.db2.gz MADFXZOTPZLSOD-UHFFFAOYSA-N 0 0 325.372 2.096 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3C)[nH]n1 ZINC000097099314 323320460 /nfs/dbraw/zinc/32/04/60/323320460.db2.gz HOEALVJVWGIOBZ-LLVKDONJSA-N 0 0 341.415 2.380 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccnn1C ZINC000097236962 323321545 /nfs/dbraw/zinc/32/15/45/323321545.db2.gz XEUJPNAUJNHUFK-UHFFFAOYSA-N 0 0 336.461 2.370 40 0 EEABRN O=C(CCc1cccs1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000097372315 323322243 /nfs/dbraw/zinc/32/22/43/323322243.db2.gz OTVWRCNKCXTSMW-HNNXBMFYSA-N 0 0 329.425 2.388 40 0 EEABRN CN(C[C@H](O)C(F)(F)F)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000097375528 323322575 /nfs/dbraw/zinc/32/25/75/323322575.db2.gz AAQMAECYYWGWOL-AWEZNQCLSA-N 0 0 345.365 2.220 40 0 EEABRN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000097379461 323323015 /nfs/dbraw/zinc/32/30/15/323323015.db2.gz YLMYWZFWBUCQEY-GOSISDBHSA-N 0 0 336.395 2.425 40 0 EEABRN O=C1CNC(=O)N1CCCOc1cc(Br)cc(F)c1F ZINC000195446043 323512859 /nfs/dbraw/zinc/51/28/59/323512859.db2.gz KCHMRJJKTZVAPG-UHFFFAOYSA-N 0 0 349.131 2.048 40 0 EEABRN O=S(=O)(c1ccc2ncsc2c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000296355695 465168691 /nfs/dbraw/zinc/16/86/91/465168691.db2.gz WKFNGDYQUAVWID-GFCCVEGCSA-N 0 0 349.441 2.330 40 0 EEABRN COc1cc(CN2CCN(C[C@H](O)c3ccco3)CC2)cc(OC)c1 ZINC000085436907 462548014 /nfs/dbraw/zinc/54/80/14/462548014.db2.gz YQYXCYICTCQITB-SFHVURJKSA-N 0 0 346.427 2.148 40 0 EEABRN O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@H](O)[C@H](CO)C1 ZINC000085469100 462550266 /nfs/dbraw/zinc/55/02/66/462550266.db2.gz UCZFPAIRZIOTHK-NLWGTHIKSA-N 0 0 339.435 2.457 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(Cl)cc1 ZINC000000281503 462552636 /nfs/dbraw/zinc/55/26/36/462552636.db2.gz QJKOKBBWGNCKHY-UHFFFAOYSA-N 0 0 339.804 2.140 40 0 EEABRN Cc1nn(CC(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc12 ZINC000000412924 462559162 /nfs/dbraw/zinc/55/91/62/462559162.db2.gz WBVNAUZGWLLKLI-UHFFFAOYSA-N 0 0 343.412 2.319 40 0 EEABRN CNC(=O)CSc1nnc(-c2ccco2)n1-c1cccc(OC)c1 ZINC000000410594 462559217 /nfs/dbraw/zinc/55/92/17/462559217.db2.gz MFNUKFHEJSWYAE-UHFFFAOYSA-N 0 0 344.396 2.374 40 0 EEABRN CCn1c(COc2ccccc2OC)nnc1SCC(=O)OC ZINC000000419621 462560660 /nfs/dbraw/zinc/56/06/60/462560660.db2.gz ATJOVSSSMVUUTK-UHFFFAOYSA-N 0 0 337.401 2.151 40 0 EEABRN Cc1cccc(C(=O)Nc2nnc(SCC(=O)NC3CC3)s2)c1 ZINC000001371494 462579906 /nfs/dbraw/zinc/57/99/06/462579906.db2.gz YZGVLJDETCFOHJ-UHFFFAOYSA-N 0 0 348.453 2.470 40 0 EEABRN CCOC(=O)c1sc(NC(=S)NC(=O)C(C)(C)C)nc1C ZINC000003072139 462610608 /nfs/dbraw/zinc/61/06/08/462610608.db2.gz XFPHHDVZWCTHRN-UHFFFAOYSA-N 0 0 329.447 2.487 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)N1CCCCC1)c1ccccc1F ZINC000113966237 462618892 /nfs/dbraw/zinc/61/88/92/462618892.db2.gz YZEMALKTYXWJFY-UHFFFAOYSA-N 0 0 342.436 2.384 40 0 EEABRN Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCCC2)cc1 ZINC000004190456 462629609 /nfs/dbraw/zinc/62/96/09/462629609.db2.gz TWSYWSNEZGWCDO-DLBZAZTESA-N 0 0 327.432 2.346 40 0 EEABRN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]45O[C@H]4C(=O)C=C[C@]5(O)[C@H]3CC[C@@]21C ZINC000004292878 462630331 /nfs/dbraw/zinc/63/03/31/462630331.db2.gz GSTJTUIKTZSOQN-ALUBLIMUSA-N 0 0 346.423 2.162 40 0 EEABRN O=C(CSc1n[nH]c(-c2ccccn2)n1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004488119 462632448 /nfs/dbraw/zinc/63/24/48/462632448.db2.gz FLUMZUYIHRRTPF-LOWVWBTDSA-N 0 0 329.429 2.264 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1 ZINC000004909449 462640644 /nfs/dbraw/zinc/64/06/44/462640644.db2.gz XJAVATKRSBLHRJ-GOEBONIOSA-N 0 0 337.508 2.308 40 0 EEABRN COc1cc(/C=C2/N=C(c3ccco3)NC2=O)cc(OC)c1OC ZINC000005001037 462644328 /nfs/dbraw/zinc/64/43/28/462644328.db2.gz GUVPVKPVZKMYCY-YRNVUSSQSA-N 0 0 328.324 2.223 40 0 EEABRN O=C(Nc1cccnc1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005381167 462657437 /nfs/dbraw/zinc/65/74/37/462657437.db2.gz SUJPBFUYDJZCBA-UHFFFAOYSA-N 0 0 331.397 2.264 40 0 EEABRN CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000006325628 462683136 /nfs/dbraw/zinc/68/31/36/462683136.db2.gz UCZYCXHXXANXSU-UHFFFAOYSA-N 0 0 340.489 2.468 40 0 EEABRN CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000007595625 462740580 /nfs/dbraw/zinc/74/05/80/462740580.db2.gz YYTILHUTFHFJPD-UHFFFAOYSA-N 0 0 326.352 2.412 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)c(Cl)c1 ZINC000009225500 462800501 /nfs/dbraw/zinc/80/05/01/462800501.db2.gz PEZDVAWZIJYNCI-RRFJBIMHSA-N 0 0 335.835 2.376 40 0 EEABRN COc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000010000476 462810928 /nfs/dbraw/zinc/81/09/28/462810928.db2.gz HXPGMMOIOCLNEH-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN CCSC(Nc1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974094 462810987 /nfs/dbraw/zinc/81/09/87/462810987.db2.gz QFNAITNDMACLLB-UHFFFAOYSA-N 0 0 333.413 2.422 40 0 EEABRN Cc1occc1S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000131527325 462815341 /nfs/dbraw/zinc/81/53/41/462815341.db2.gz LFHSEJXRAXHXGP-ZDUSSCGKSA-N 0 0 332.429 2.207 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012117181 462843766 /nfs/dbraw/zinc/84/37/66/462843766.db2.gz LVRRPCFGMWRMTO-NVXWUHKLSA-N 0 0 338.411 2.424 40 0 EEABRN CCc1nn(CC(=O)NCC2CC2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115397 462844162 /nfs/dbraw/zinc/84/41/62/462844162.db2.gz MYCWECRBZFILAQ-UHFFFAOYSA-N 0 0 344.440 2.108 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1 ZINC000012157248 462845276 /nfs/dbraw/zinc/84/52/76/462845276.db2.gz HJGRXFIHIQHSDO-OLZOCXBDSA-N 0 0 334.372 2.311 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)n2)o1 ZINC000012182774 462847407 /nfs/dbraw/zinc/84/74/07/462847407.db2.gz ZGRQVMSMEBUVFJ-SMDDNHRTSA-N 0 0 344.415 2.089 40 0 EEABRN Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCCCCC3)nc12 ZINC000012182067 462847557 /nfs/dbraw/zinc/84/75/57/462847557.db2.gz OKQMJODCWNEBLU-UHFFFAOYSA-N 0 0 338.411 2.360 40 0 EEABRN Cc1cc(C(=O)NCCCN2CCN(c3ccccc3F)CC2)on1 ZINC000066446049 462891343 /nfs/dbraw/zinc/89/13/43/462891343.db2.gz UGIDQXOWIGBNHE-UHFFFAOYSA-N 0 0 346.406 2.064 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712929 462900904 /nfs/dbraw/zinc/90/09/04/462900904.db2.gz ZVCLCCSFVRGILZ-UKRRQHHQSA-N 0 0 326.462 2.454 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715075 462901522 /nfs/dbraw/zinc/90/15/22/462901522.db2.gz NQXVJGDPDRBOAT-RISCZKNCSA-N 0 0 330.425 2.285 40 0 EEABRN CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016681675 462987762 /nfs/dbraw/zinc/98/77/62/462987762.db2.gz JRUBSWDAZGZMNF-UHFFFAOYSA-N 0 0 346.452 2.056 40 0 EEABRN O=C(c1ccncc1)N1CCN(c2cncc(Br)c2)CC1 ZINC000094132956 463061744 /nfs/dbraw/zinc/06/17/44/463061744.db2.gz KACUTIDJKHEVIR-UHFFFAOYSA-N 0 0 347.216 2.202 40 0 EEABRN CC(C)OC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000095101334 463067123 /nfs/dbraw/zinc/06/71/23/463067123.db2.gz HSCYOJPAYHEMHB-QIIPPGSGSA-N 0 0 348.374 2.261 40 0 EEABRN Cc1c(C(=O)N(C)CCc2nccs2)cnn1C1CCOCC1 ZINC000121028260 463067486 /nfs/dbraw/zinc/06/74/86/463067486.db2.gz VSUKINBTRPLOKK-UHFFFAOYSA-N 0 0 334.445 2.314 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000095405984 463078293 /nfs/dbraw/zinc/07/82/93/463078293.db2.gz CUNWAVPDIYITNP-GHMZBOCLSA-N 0 0 341.395 2.439 40 0 EEABRN O=C(Cn1nccn1)Nc1cc(-c2ccccc2Br)[nH]n1 ZINC000095408869 463078371 /nfs/dbraw/zinc/07/83/71/463078371.db2.gz SWYJNFYDFAZJOA-UHFFFAOYSA-N 0 0 347.176 2.069 40 0 EEABRN Cc1nccc(N2CCN(Cc3ccc(Br)cn3)CC2)n1 ZINC000078293454 463100812 /nfs/dbraw/zinc/10/08/12/463100812.db2.gz MBMUQVJXDSMPMB-UHFFFAOYSA-N 0 0 348.248 2.265 40 0 EEABRN CCOc1cc([C@@H](N)c2nc(-c3ccccn3)n[nH]2)ccc1OC ZINC000095534393 463108693 /nfs/dbraw/zinc/10/86/93/463108693.db2.gz OZPRUAJVEQRADT-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN Cc1nnc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)s1 ZINC000096040961 463145325 /nfs/dbraw/zinc/14/53/25/463145325.db2.gz YVMXMPRIJKTLSX-AGIUHOORSA-N 0 0 336.392 2.196 40 0 EEABRN O=C(CCCOc1ccccc1F)N1CC(=O)Nc2cccnc21 ZINC000078917782 463166512 /nfs/dbraw/zinc/16/65/12/463166512.db2.gz DINWRICXWOQMQE-UHFFFAOYSA-N 0 0 329.331 2.365 40 0 EEABRN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCO[C@@H](CO)C1 ZINC000078931761 463167928 /nfs/dbraw/zinc/16/79/28/463167928.db2.gz GMNIKPXCMDKJKF-OAHLLOKOSA-N 0 0 338.835 2.164 40 0 EEABRN CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCO4)[C@H]2C1 ZINC000096082736 463170559 /nfs/dbraw/zinc/17/05/59/463170559.db2.gz CIFKKNCIXOGFHB-DUVNUKRYSA-N 0 0 333.384 2.071 40 0 EEABRN Cc1cc(CN2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)no1 ZINC000096107123 463175465 /nfs/dbraw/zinc/17/54/65/463175465.db2.gz JVYDMLJFSBRXSX-MSOLQXFVSA-N 0 0 341.411 2.237 40 0 EEABRN CO[C@@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000078997675 463177160 /nfs/dbraw/zinc/17/71/60/463177160.db2.gz MVEXNLKWGZFXPD-DOTOQJQBSA-N 0 0 342.370 2.435 40 0 EEABRN C[C@H]1c2ncc(COCc3ccccn3)n2CCN1c1ncccn1 ZINC000096109899 463178674 /nfs/dbraw/zinc/17/86/74/463178674.db2.gz AGSDHKXKFFWZBD-AWEZNQCLSA-N 0 0 336.399 2.366 40 0 EEABRN CCn1nc(C)c(CNC(=O)NCCC(=O)Nc2ccccc2)c1C ZINC000079098663 463188172 /nfs/dbraw/zinc/18/81/72/463188172.db2.gz GEXGFFGQTFAXED-UHFFFAOYSA-N 0 0 343.431 2.348 40 0 EEABRN CCN1CCC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1=O ZINC000096157729 463188773 /nfs/dbraw/zinc/18/87/73/463188773.db2.gz OCYMYIAAFVYDGR-UHFFFAOYSA-N 0 0 330.428 2.099 40 0 EEABRN CCn1cc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2OC)cn1 ZINC000096183509 463195378 /nfs/dbraw/zinc/19/53/78/463195378.db2.gz JOGRERNUDIBVMA-UHFFFAOYSA-N 0 0 340.387 2.112 40 0 EEABRN O=C(c1cccs1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185067 463196190 /nfs/dbraw/zinc/19/61/90/463196190.db2.gz WACAVHJIWMMQDQ-ZNMIVQPWSA-N 0 0 330.409 2.199 40 0 EEABRN Cc1occc1C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187094 463198785 /nfs/dbraw/zinc/19/87/85/463198785.db2.gz CQVQZBBVHYMPMX-IKGGRYGDSA-N 0 0 328.368 2.434 40 0 EEABRN CCOC[C@H]1Cn2ccnc2CN(C(=O)NCc2ccccc2)C1 ZINC000096187819 463199356 /nfs/dbraw/zinc/19/93/56/463199356.db2.gz XZNMSTDSZNGPEU-INIZCTEOSA-N 0 0 328.416 2.261 40 0 EEABRN Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)CC1CC1)C2 ZINC000096198034 463203677 /nfs/dbraw/zinc/20/36/77/463203677.db2.gz ULRQUGXZADSHTI-OAHLLOKOSA-N 0 0 326.400 2.120 40 0 EEABRN O=C(c1ccsc1)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199468 463204422 /nfs/dbraw/zinc/20/44/22/463204422.db2.gz OQMBALQEQLFRFR-OAHLLOKOSA-N 0 0 341.436 2.422 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(C(=O)COc1ccccc1C)C2 ZINC000096198080 463204427 /nfs/dbraw/zinc/20/44/27/463204427.db2.gz RVYNRKASPBTITF-MRXNPFEDSA-N 0 0 343.427 2.363 40 0 EEABRN CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096199665 463204594 /nfs/dbraw/zinc/20/45/94/463204594.db2.gz LPBXBSYFGPWIBY-IAGOWNOFSA-N 0 0 342.439 2.173 40 0 EEABRN O=C(NCCc1cscn1)C(=O)c1ccc(Br)cc1 ZINC000079310199 463205382 /nfs/dbraw/zinc/20/53/82/463205382.db2.gz URCUKSKWWHMBOX-UHFFFAOYSA-N 0 0 339.214 2.447 40 0 EEABRN Cc1cc(CN2CC[C@]3(C2)C[C@@H](NC(=O)c2ccco2)CCO3)no1 ZINC000096206201 463208844 /nfs/dbraw/zinc/20/88/44/463208844.db2.gz YBHZGYULEJABQZ-KBXCAEBGSA-N 0 0 345.399 2.130 40 0 EEABRN Cc1nnc(N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)s1 ZINC000096217952 463214706 /nfs/dbraw/zinc/21/47/06/463214706.db2.gz FLQMYUYQHDODAO-UONOGXRCSA-N 0 0 336.486 2.245 40 0 EEABRN CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000028208414 463219875 /nfs/dbraw/zinc/21/98/75/463219875.db2.gz NXPPGIVNLSNXFC-CYBMUJFWSA-N 0 0 326.462 2.174 40 0 EEABRN COc1ccc(N2C[C@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)cc1 ZINC000096238998 463224193 /nfs/dbraw/zinc/22/41/93/463224193.db2.gz XHVDEWQCDGDYBU-LJQANCHMSA-N 0 0 343.427 2.340 40 0 EEABRN Cc1cccc(C(=O)N2C[C@H](C(=O)NC(C)C)C3(C2)CCOCC3)c1 ZINC000096240775 463225385 /nfs/dbraw/zinc/22/53/85/463225385.db2.gz RAELQJHUHGZYKN-QGZVFWFLSA-N 0 0 344.455 2.388 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000096243384 463225478 /nfs/dbraw/zinc/22/54/78/463225478.db2.gz RLFDEXZOTZRVPR-PBHICJAKSA-N 0 0 326.440 2.466 40 0 EEABRN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)C(C)C)C1 ZINC000096244534 463225735 /nfs/dbraw/zinc/22/57/35/463225735.db2.gz WQKRQTVEUFALTL-LJQANCHMSA-N 0 0 344.459 2.263 40 0 EEABRN C[C@@H](CSC(F)(F)F)C(=O)NCc1cccnc1-n1cncn1 ZINC000079558129 463228188 /nfs/dbraw/zinc/22/81/88/463228188.db2.gz ANVKDHFDLSKWRN-VIFPVBQESA-N 0 0 345.350 2.168 40 0 EEABRN CC(C)COC1CCN(C(=O)c2[nH]ncc2Br)CC1 ZINC000096405595 463239437 /nfs/dbraw/zinc/23/94/37/463239437.db2.gz IITVVAQIEORWNN-UHFFFAOYSA-N 0 0 330.226 2.449 40 0 EEABRN O=C(Cc1cn2ccsc2n1)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000096404930 463239588 /nfs/dbraw/zinc/23/95/88/463239588.db2.gz RUHUPMICLUUXMA-UHFFFAOYSA-N 0 0 341.396 2.321 40 0 EEABRN CCN(CCC(=O)OC)Cc1nc2cc(Br)cnc2[nH]1 ZINC000096412947 463244898 /nfs/dbraw/zinc/24/48/98/463244898.db2.gz UEIRMYGANRENSV-UHFFFAOYSA-N 0 0 341.209 2.105 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)COCc1ccccc1 ZINC000096411807 463245245 /nfs/dbraw/zinc/24/52/45/463245245.db2.gz GHQXMLAJLJZUET-UHFFFAOYSA-N 0 0 337.383 2.380 40 0 EEABRN C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)c1cccc(Br)c1 ZINC000096415207 463247962 /nfs/dbraw/zinc/24/79/62/463247962.db2.gz YLPFKOHVPRGYNG-SKDRFNHKSA-N 0 0 340.221 2.040 40 0 EEABRN c1ccc(-n2nnnc2CNc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000096417386 463249706 /nfs/dbraw/zinc/24/97/06/463249706.db2.gz GEZMUOPOKFWFRS-QGZVFWFLSA-N 0 0 337.383 2.442 40 0 EEABRN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000096418267 463250554 /nfs/dbraw/zinc/25/05/54/463250554.db2.gz FSRCGZATULORIX-QGTPRVQTSA-N 0 0 344.455 2.277 40 0 EEABRN CCn1cc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cn1 ZINC000096418246 463250846 /nfs/dbraw/zinc/25/08/46/463250846.db2.gz VSPQKSLROUREBN-UHFFFAOYSA-N 0 0 343.355 2.081 40 0 EEABRN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)Cc1cccs1 ZINC000096422355 463253811 /nfs/dbraw/zinc/25/38/11/463253811.db2.gz DDJVWRIPECXVOS-DGCLKSJQSA-N 0 0 326.487 2.307 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC000096423493 463254110 /nfs/dbraw/zinc/25/41/10/463254110.db2.gz YXEAKXFYDGXVGE-JTQLQIEISA-N 0 0 341.249 2.411 40 0 EEABRN Cc1noc(CNC(=O)[C@@H](C)Oc2cccc(Br)c2)n1 ZINC000096425373 463255104 /nfs/dbraw/zinc/25/51/04/463255104.db2.gz JNYDJCRSRVXNCQ-MRVPVSSYSA-N 0 0 340.177 2.224 40 0 EEABRN CNC(=O)c1cccc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424274 463255493 /nfs/dbraw/zinc/25/54/93/463255493.db2.gz PXDGRRIDBRUVSU-INIZCTEOSA-N 0 0 338.455 2.320 40 0 EEABRN C[C@H](CNC(=O)CNC(=O)c1ccccc1)Oc1cccc(F)c1 ZINC000096426771 463255618 /nfs/dbraw/zinc/25/56/18/463255618.db2.gz NVWSXFJGMGDUJQ-CYBMUJFWSA-N 0 0 330.359 2.139 40 0 EEABRN CCCc1nc(CNc2ccc(S(=O)(=O)NC(C)C)cc2)no1 ZINC000096427417 463257377 /nfs/dbraw/zinc/25/73/77/463257377.db2.gz QNZLLWUUIXVLAT-UHFFFAOYSA-N 0 0 338.433 2.321 40 0 EEABRN CN(C[C@H]1CCCN1S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000096427857 463258102 /nfs/dbraw/zinc/25/81/02/463258102.db2.gz MYOQQTXPASUYFA-MRXNPFEDSA-N 0 0 335.429 2.105 40 0 EEABRN CCc1c(Cl)nc(C)nc1NC1CCN(C(=O)COC)CC1 ZINC000096429181 463258757 /nfs/dbraw/zinc/25/87/57/463258757.db2.gz LTQUVVYBECVONS-UHFFFAOYSA-N 0 0 326.828 2.050 40 0 EEABRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCc1nnc2n1CCC2 ZINC000096430640 463260390 /nfs/dbraw/zinc/26/03/90/463260390.db2.gz BSEVPOUNXUFQEF-KKUMJFAQSA-N 0 0 334.464 2.257 40 0 EEABRN CCc1nsc(N2CCN(C(=O)CSC(C)(C)C)CC2)n1 ZINC000096432231 463260871 /nfs/dbraw/zinc/26/08/71/463260871.db2.gz DPLQTYFXOMJGND-UHFFFAOYSA-N 0 0 328.507 2.281 40 0 EEABRN Cc1c(Br)cccc1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000096436974 463264715 /nfs/dbraw/zinc/26/47/15/463264715.db2.gz GDDYXRHSMSJFQZ-CQSZACIVSA-N 0 0 342.233 2.275 40 0 EEABRN O=C(NCCc1cn2c(n1)CCCC2)NCC[C@@H](O)c1ccccc1 ZINC000096437751 463265849 /nfs/dbraw/zinc/26/58/49/463265849.db2.gz YDWVJBQIUUYDOZ-QGZVFWFLSA-N 0 0 342.443 2.185 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCc1nccn1CC(C)C ZINC000096439519 463266103 /nfs/dbraw/zinc/26/61/03/463266103.db2.gz DHMOLAXJURHIKK-GFCCVEGCSA-N 0 0 332.452 2.450 40 0 EEABRN Cc1nncn1CCNC(=O)/C=C/c1cc(Br)cs1 ZINC000096445340 463269461 /nfs/dbraw/zinc/26/94/61/463269461.db2.gz NSILFEJRXRAUBV-NSCUHMNNSA-N 0 0 341.234 2.240 40 0 EEABRN Cc1csc(-c2cccc(C(=O)NCCn3cnnc3C)c2)n1 ZINC000096445342 463269879 /nfs/dbraw/zinc/26/98/79/463269879.db2.gz MCMSEZPJIRIVCJ-UHFFFAOYSA-N 0 0 327.413 2.448 40 0 EEABRN CN(Cc1nc2ccccc2n1C)Cc1cc(=O)n2ccccc2n1 ZINC000096449186 463271931 /nfs/dbraw/zinc/27/19/31/463271931.db2.gz HOZANZDUMPPRPP-UHFFFAOYSA-N 0 0 333.395 2.213 40 0 EEABRN CCn1c(CN(C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000096455335 463275420 /nfs/dbraw/zinc/27/54/20/463275420.db2.gz GONYDEVTGIKAFZ-GASCZTMLSA-N 0 0 344.459 2.124 40 0 EEABRN COC(=O)C[C@H]1CN(Cc2ccc(Br)cc2)CCO1 ZINC000096455370 463275534 /nfs/dbraw/zinc/27/55/34/463275534.db2.gz YQAWMDOEPBIYQW-ZDUSSCGKSA-N 0 0 328.206 2.213 40 0 EEABRN Cc1nnc(CNC(=O)[C@@H](C)c2ccc(Br)s2)[nH]1 ZINC000080076626 463279349 /nfs/dbraw/zinc/27/93/49/463279349.db2.gz UNBXQOUMYJMOOU-LURJTMIESA-N 0 0 329.223 2.357 40 0 EEABRN Nc1nc(N2CCC(OC[C@@H]3CCCO3)CC2)nc2ccccc12 ZINC000096486673 463285138 /nfs/dbraw/zinc/28/51/38/463285138.db2.gz XUOPHZDROMTRTJ-AWEZNQCLSA-N 0 0 328.416 2.376 40 0 EEABRN CC[C@H](NCc1noc2c1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000096492683 463287598 /nfs/dbraw/zinc/28/75/98/463287598.db2.gz FSZUDPRYHAOHJJ-HNNXBMFYSA-N 0 0 349.456 2.442 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccnc1NC(C)C ZINC000096495142 463289227 /nfs/dbraw/zinc/28/92/27/463289227.db2.gz QQMVGKVEEVBAIS-ZDUSSCGKSA-N 0 0 328.420 2.321 40 0 EEABRN C[C@H](c1ccc(F)cc1F)N1CCN(c2ccncc2C(N)=O)CC1 ZINC000096503061 463292488 /nfs/dbraw/zinc/29/24/88/463292488.db2.gz SGUJQGBAKTYATQ-GFCCVEGCSA-N 0 0 346.381 2.342 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(F)cc1 ZINC000096519754 463294360 /nfs/dbraw/zinc/29/43/60/463294360.db2.gz NEGCESDVBRFTTE-IUCAKERBSA-N 0 0 331.590 2.191 40 0 EEABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 ZINC000138937799 463314666 /nfs/dbraw/zinc/31/46/66/463314666.db2.gz KPVCUXQBUFCRTH-UHFFFAOYSA-N 0 0 344.367 2.166 40 0 EEABRN Cc1cc(C(=O)OC[C@H]2CCC(=O)N2)nn1-c1cc(C)cc(C)c1 ZINC000097231487 463351595 /nfs/dbraw/zinc/35/15/95/463351595.db2.gz WCLGXIUTTQOQLP-CQSZACIVSA-N 0 0 327.384 2.233 40 0 EEABRN Cc1cnc(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)o1 ZINC000080954333 463373002 /nfs/dbraw/zinc/37/30/02/463373002.db2.gz HYLKSBZPXSUWAC-KRWDZBQOSA-N 0 0 327.384 2.353 40 0 EEABRN CCN1C(=O)[C@H]2C(=O)N(C)C3(c4ccccc4-c4ccccc43)[C@@H]2C1=O ZINC000103583986 463405302 /nfs/dbraw/zinc/40/53/02/463405302.db2.gz QCJCNECOFMLEBD-SJORKVTESA-N 0 0 346.386 2.004 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000033760911 463423397 /nfs/dbraw/zinc/42/33/97/463423397.db2.gz LFJIWBKERNIALY-BJMVGYQFSA-N 0 0 329.139 2.059 40 0 EEABRN O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)c1cccs1 ZINC000035315723 463431414 /nfs/dbraw/zinc/43/14/14/463431414.db2.gz JPCPXENORHHISR-DZGCQCFKSA-N 0 0 346.408 2.336 40 0 EEABRN C[C@@]1(C(=O)NCCc2ccccc2F)Oc2ccccc2NC1=O ZINC000040776425 463464354 /nfs/dbraw/zinc/46/43/54/463464354.db2.gz FRPAACGOCGOXMK-SFHVURJKSA-N 0 0 328.343 2.274 40 0 EEABRN Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)cn1 ZINC000057354960 463480800 /nfs/dbraw/zinc/48/08/00/463480800.db2.gz AIAWMYOLNJNYNR-CZUORRHYSA-N 0 0 330.363 2.107 40 0 EEABRN Cc1nc2cc(-c3nccn3C)nn2c(N2CCSCC2)c1C ZINC000072338499 463508963 /nfs/dbraw/zinc/50/89/63/463508963.db2.gz UVZIIXBNBBMHMB-UHFFFAOYSA-N 0 0 328.445 2.300 40 0 EEABRN Cc1cccc(OCC(=O)NCC2CCN(c3ncccn3)CC2)c1 ZINC000043977054 463663957 /nfs/dbraw/zinc/66/39/57/463663957.db2.gz RSEQEUCJCJZZQL-UHFFFAOYSA-N 0 0 340.427 2.197 40 0 EEABRN Cc1csc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)c1 ZINC000257284525 463761678 /nfs/dbraw/zinc/76/16/78/463761678.db2.gz PDASATMLICTRQD-KRWDZBQOSA-N 0 0 331.441 2.213 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257286906 463763092 /nfs/dbraw/zinc/76/30/92/463763092.db2.gz PNPRNXMUZXBHBP-AWEZNQCLSA-N 0 0 348.410 2.357 40 0 EEABRN COc1ncccc1C(=O)N1CCC[C@@H]2N(C(C)=O)CCC[C@@]21C ZINC000257332432 463781241 /nfs/dbraw/zinc/78/12/41/463781241.db2.gz XXHLAKSJYIUYRX-YJBOKZPZSA-N 0 0 331.416 2.096 40 0 EEABRN COCC(=O)N1CCC(c2cncc(-c3cnn(C(C)C)c3)n2)CC1 ZINC000257335135 463782232 /nfs/dbraw/zinc/78/22/32/463782232.db2.gz YIVCXPWFNOEDHQ-UHFFFAOYSA-N 0 0 343.431 2.273 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2Cc2ncccc2C)n1 ZINC000257333743 463782814 /nfs/dbraw/zinc/78/28/14/463782814.db2.gz YCWSHCOPESXRAE-SFHVURJKSA-N 0 0 325.416 2.153 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2sccc2C)n1 ZINC000257333750 463782915 /nfs/dbraw/zinc/78/29/15/463782915.db2.gz YCXLSXOXFHNJEB-CQSZACIVSA-N 0 0 344.440 2.460 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)ccn1 ZINC000257335038 463783124 /nfs/dbraw/zinc/78/31/24/463783124.db2.gz YILAXCPSGYWIRA-HNNXBMFYSA-N 0 0 327.432 2.196 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1ccc(-n2cccn2)nc1 ZINC000257338555 463784825 /nfs/dbraw/zinc/78/48/25/463784825.db2.gz YXXXZXKSRHITBY-MRXNPFEDSA-N 0 0 348.410 2.061 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000257340672 463785690 /nfs/dbraw/zinc/78/56/90/463785690.db2.gz ZHDLWZJRBLCPEV-CYBMUJFWSA-N 0 0 337.420 2.332 40 0 EEABRN C=Cn1cc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cn1 ZINC000194146210 463800722 /nfs/dbraw/zinc/80/07/22/463800722.db2.gz BGVGRVWPDDXCSD-KRWDZBQOSA-N 0 0 326.400 2.193 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C1(O)CCC1 ZINC000185931742 463907183 /nfs/dbraw/zinc/90/71/83/463907183.db2.gz PZNSRPHTMCSKQS-LLVKDONJSA-N 0 0 339.233 2.059 40 0 EEABRN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000262333167 464004767 /nfs/dbraw/zinc/00/47/67/464004767.db2.gz WFMYLWILRFECSF-KRWDZBQOSA-N 0 0 347.436 2.476 40 0 EEABRN Cn1cc([C@@H]2C[C@@H]2C(=O)O[C@@H](c2nccn2C)C(F)(F)F)cn1 ZINC000195530029 464071790 /nfs/dbraw/zinc/07/17/90/464071790.db2.gz OOJQFIXOCOZWFJ-DCAQKATOSA-N 0 0 328.294 2.104 40 0 EEABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222823055 464133476 /nfs/dbraw/zinc/13/34/76/464133476.db2.gz PKKYPWDONRRWBT-MLGOLLRUSA-N 0 0 338.835 2.372 40 0 EEABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C ZINC000223001486 464136411 /nfs/dbraw/zinc/13/64/11/464136411.db2.gz NUZZWJHUNCJUNQ-HZPDHXFCSA-N 0 0 330.457 2.347 40 0 EEABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223675836 464145138 /nfs/dbraw/zinc/14/51/38/464145138.db2.gz HYWYSTWVXZIXPP-GJZGRUSLSA-N 0 0 331.397 2.210 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225233406 464154818 /nfs/dbraw/zinc/15/48/18/464154818.db2.gz NVVPVHFXHNMEGL-GFCCVEGCSA-N 0 0 346.880 2.262 40 0 EEABRN Cc1csc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)c1 ZINC000225446556 464161536 /nfs/dbraw/zinc/16/15/36/464161536.db2.gz OPHNESYDNWGFGJ-GFCCVEGCSA-N 0 0 332.429 2.206 40 0 EEABRN Cc1ccc(O[C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)nn1 ZINC000225462558 464162181 /nfs/dbraw/zinc/16/21/81/464162181.db2.gz MYCRUAWEQUDNTI-ZDUSSCGKSA-N 0 0 328.372 2.334 40 0 EEABRN COC(=O)Cc1cccc(NC(=O)c2cccnc2OC(C)C)n1 ZINC000225462628 464162766 /nfs/dbraw/zinc/16/27/66/464162766.db2.gz LNDWYIPFBVRVAA-UHFFFAOYSA-N 0 0 329.356 2.232 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000240423844 464446773 /nfs/dbraw/zinc/44/67/73/464446773.db2.gz FRJYCLAQBYUTCT-DEWZPKMOSA-N 0 0 331.412 2.253 40 0 EEABRN Cc1csc(C(=O)Nc2ncnn2C)c1I ZINC000189699947 464542001 /nfs/dbraw/zinc/54/20/01/464542001.db2.gz QGQYYRVRWHXQKX-UHFFFAOYSA-N 0 0 348.169 2.042 40 0 EEABRN Cc1csc([C@H]2COCCN2C(=O)NCc2ncc(C)s2)n1 ZINC000190291318 464619404 /nfs/dbraw/zinc/61/94/04/464619404.db2.gz RPIXGZPZKBPKCQ-LLVKDONJSA-N 0 0 338.458 2.500 40 0 EEABRN O=C(NCc1ccc(Br)cc1)NC[C@H]1CC[C@@H](O)C1 ZINC000190569624 464679778 /nfs/dbraw/zinc/67/97/78/464679778.db2.gz LIEXZBSJJWIKNR-WCQYABFASA-N 0 0 327.222 2.409 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC3(C2)OCC[C@@H]3COC)cc1 ZINC000247823540 464708067 /nfs/dbraw/zinc/70/80/67/464708067.db2.gz DVOIBPLINOACKD-MRXNPFEDSA-N 0 0 333.428 2.282 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000247859765 464711206 /nfs/dbraw/zinc/71/12/06/464711206.db2.gz MFLCSRAEYHGDPF-CQSZACIVSA-N 0 0 345.424 2.129 40 0 EEABRN Cc1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)no1 ZINC000247950857 464716920 /nfs/dbraw/zinc/71/69/20/464716920.db2.gz YFAVAMDGLBKXSC-INIZCTEOSA-N 0 0 343.431 2.043 40 0 EEABRN COc1c(OC[C@H](O)C(C)(C)O)ccc2c1N=C1OC=C[C@H]1[C@H]2OC ZINC000247963552 464717569 /nfs/dbraw/zinc/71/75/69/464717569.db2.gz RMDGFVXKNRIXEW-WHOFXGATSA-N 0 0 349.383 2.097 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000247994438 464720655 /nfs/dbraw/zinc/72/06/55/464720655.db2.gz CEVLVPDRTBZLOD-CQSZACIVSA-N 0 0 343.383 2.139 40 0 EEABRN Cc1ncsc1CN1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 ZINC000248023569 464724060 /nfs/dbraw/zinc/72/40/60/464724060.db2.gz JQLHNJOILRXJBF-HNNXBMFYSA-N 0 0 345.472 2.217 40 0 EEABRN COC(=O)[C@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@H]1C ZINC000190952867 464750155 /nfs/dbraw/zinc/75/01/55/464750155.db2.gz NUNZBGYLEBETRT-RISCZKNCSA-N 0 0 340.370 2.348 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)on1 ZINC000191153229 464785667 /nfs/dbraw/zinc/78/56/67/464785667.db2.gz SOXWDHQGCMDTQX-CQSZACIVSA-N 0 0 349.337 2.182 40 0 EEABRN Cc1cc(CNC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)ccc1Cl ZINC000192205653 464885637 /nfs/dbraw/zinc/88/56/37/464885637.db2.gz OOBDJZRLFXNWKL-NSHDSACASA-N 0 0 344.864 2.225 40 0 EEABRN CCCNc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000192520511 464939944 /nfs/dbraw/zinc/93/99/44/464939944.db2.gz CYJGTLQLLHRUFT-OAHLLOKOSA-N 0 0 328.420 2.434 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)NCCCC(C)(C)CO)CCO2)n1 ZINC000252478994 464959294 /nfs/dbraw/zinc/95/92/94/464959294.db2.gz AYWUYANVGDJVOM-CYBMUJFWSA-N 0 0 341.477 2.333 40 0 EEABRN O=C1N[C@@H](c2c(F)cccc2OC(F)(F)F)N2CCSC[C@H]12 ZINC000252491786 464966837 /nfs/dbraw/zinc/96/68/37/464966837.db2.gz LTFUSOAXGKQDBZ-LDYMZIIASA-N 0 0 336.310 2.270 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCCOCC3)CCO2)n1 ZINC000252505417 464973591 /nfs/dbraw/zinc/97/35/91/464973591.db2.gz VRIJEHYRNMMANW-CHWSQXEVSA-N 0 0 325.434 2.104 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000252510138 464975418 /nfs/dbraw/zinc/97/54/18/464975418.db2.gz ZCDQGQVBNXHDBR-PWSUYJOCSA-N 0 0 336.379 2.058 40 0 EEABRN O=S(=O)(C1CC1)N1CCOc2ccc(Br)cc2C1 ZINC000252511078 464977225 /nfs/dbraw/zinc/97/72/25/464977225.db2.gz ZTIBDKHAPQPLBS-UHFFFAOYSA-N 0 0 332.219 2.136 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@H](C)[C@H]2CO)c1 ZINC000253369833 464995096 /nfs/dbraw/zinc/99/50/96/464995096.db2.gz IPMFSBGUBGMPGA-DOTOQJQBSA-N 0 0 325.474 2.252 40 0 EEABRN C[C@@H]1CN(C(=O)NCC2CCC(F)(F)CC2)C[C@@]2(CCOC2)O1 ZINC000253397734 465000049 /nfs/dbraw/zinc/00/00/49/465000049.db2.gz SUWXFCOMCVYMKD-IUODEOHRSA-N 0 0 332.391 2.401 40 0 EEABRN C[C@H](NC(=O)C1CCN(CC(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000253413435 465003280 /nfs/dbraw/zinc/00/32/80/465003280.db2.gz ZNPPFZKGHCSLDS-MEDUHNTESA-N 0 0 344.377 2.341 40 0 EEABRN O=C(c1ccnn1CC(F)F)N1CCCCC[C@H]1c1ncon1 ZINC000253428449 465012479 /nfs/dbraw/zinc/01/24/79/465012479.db2.gz QFECFLOCJOFJJZ-JTQLQIEISA-N 0 0 325.319 2.289 40 0 EEABRN O=C1[C@H](Sc2ccc(C(F)(F)F)nn2)CCN1C1CCOCC1 ZINC000253428334 465012580 /nfs/dbraw/zinc/01/25/80/465012580.db2.gz ADZVHCPBIZIKSY-SNVBAGLBSA-N 0 0 347.362 2.367 40 0 EEABRN COCC[C@@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000253430904 465013450 /nfs/dbraw/zinc/01/34/50/465013450.db2.gz YBJLDAFSYNWYEX-NSHDSACASA-N 0 0 349.353 2.290 40 0 EEABRN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H](O)C2=O ZINC000254759592 465019010 /nfs/dbraw/zinc/01/90/10/465019010.db2.gz VVINKEMRHIOYTI-RKZIWCSJSA-N 0 0 334.456 2.499 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)N(C)CC(F)(F)F ZINC000253629966 465019023 /nfs/dbraw/zinc/01/90/23/465019023.db2.gz FKXRKKWJNTZQJI-FPMFFAJLSA-N 0 0 345.365 2.301 40 0 EEABRN O=C(C1CC1)N1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306127138 466488324 /nfs/dbraw/zinc/48/83/24/466488324.db2.gz FPIFZGCUIKTBCD-HXUWFJFHSA-N 0 0 334.423 2.377 40 0 EEABRN CC(C)CN1CC[C@@]2(CN(C(=O)C3CC3)C[C@@H]2c2nccs2)C1=O ZINC000306127893 466488374 /nfs/dbraw/zinc/48/83/74/466488374.db2.gz GKBFGWNIUPFZJS-KDOFPFPSSA-N 0 0 347.484 2.354 40 0 EEABRN CCC(=O)N1C[C@@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306127172 466490028 /nfs/dbraw/zinc/49/00/28/466490028.db2.gz FQMOJXFOTDLISE-HUUCEWRRSA-N 0 0 344.440 2.071 40 0 EEABRN CN1C(=O)N/C(=C/c2cc(Br)c(Br)o2)C1=O ZINC000409193785 466686292 /nfs/dbraw/zinc/68/62/92/466686292.db2.gz LSXWKPZZTIRWHW-ZZXKWVIFSA-N 0 0 349.966 2.327 40 0 EEABRN COCc1ccccc1S(=O)(=O)N(CCO)c1cccc(F)c1 ZINC000390834277 467414085 /nfs/dbraw/zinc/41/40/85/467414085.db2.gz VPQGHSJXDNPQMP-UHFFFAOYSA-N 0 0 339.388 2.160 40 0 EEABRN COC(=O)c1ccc([C@H](NC(=O)Nc2cc[nH]n2)C(F)(F)F)cc1 ZINC000390835606 467414860 /nfs/dbraw/zinc/41/48/60/467414860.db2.gz SCWHBYAKNMHPBJ-NSHDSACASA-N 0 0 342.277 2.621 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575402551 468140589 /nfs/dbraw/zinc/14/05/89/468140589.db2.gz BWVIZAPLQPDKOF-IAVJCBSLSA-N 0 0 330.428 2.118 40 0 EEABRN CCOCC(=O)N1CC2(C1)C[C@H](OCc1csc(C)n1)CS2 ZINC000575402325 468140880 /nfs/dbraw/zinc/14/08/80/468140880.db2.gz ANHFQWLYVUATMH-ZDUSSCGKSA-N 0 0 342.486 2.091 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@H](OCc1cccc(C)n1)CS2 ZINC000575404100 468141375 /nfs/dbraw/zinc/14/13/75/468141375.db2.gz PVBBLOLKIIJQRO-AWEZNQCLSA-N 0 0 338.498 2.356 40 0 EEABRN O=C(C1CCC1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575405188 468141626 /nfs/dbraw/zinc/14/16/26/468141626.db2.gz WYLGOKIVBFXOES-HNNXBMFYSA-N 0 0 325.474 2.316 40 0 EEABRN O=C(C1CCC1)N1C[C@]2(CCN(c3cccnc3)C2=O)CC(F)(F)C1 ZINC000585093069 468962325 /nfs/dbraw/zinc/96/23/25/468962325.db2.gz SJGDIIDPWDIYEG-KRWDZBQOSA-N 0 0 349.381 2.472 40 0 EEABRN CCOCCc1cnc2n1CCN(Cc1cccnc1OC)[C@H]2C ZINC000585096861 468964736 /nfs/dbraw/zinc/96/47/36/468964736.db2.gz BRNVQXCKMPDGRR-AWEZNQCLSA-N 0 0 330.432 2.443 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C ZINC000585097926 468965050 /nfs/dbraw/zinc/96/50/50/468965050.db2.gz PIKRSSRONHORCX-ZDUSSCGKSA-N 0 0 332.448 2.044 40 0 EEABRN COCc1nnc2n1CCN(C(=O)CCc1ccccc1C)[C@H](C)C2 ZINC000585097915 468965357 /nfs/dbraw/zinc/96/53/57/468965357.db2.gz OYNYTEWESAMXFJ-OAHLLOKOSA-N 0 0 342.443 2.139 40 0 EEABRN CCN(CC)c1ncnc2c1CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585110544 468973484 /nfs/dbraw/zinc/97/34/84/468973484.db2.gz WXJHVPMUYANTLY-UHFFFAOYSA-N 0 0 343.406 2.098 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 ZINC000585111258 468974709 /nfs/dbraw/zinc/97/47/09/468974709.db2.gz LSLBFNKMAORYGW-CJNGLKHVSA-N 0 0 339.443 2.197 40 0 EEABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccncc1 ZINC000585111323 468974962 /nfs/dbraw/zinc/97/49/62/468974962.db2.gz ONDZJWWRCQAOMY-GOSISDBHSA-N 0 0 348.406 2.370 40 0 EEABRN CC(C)N1Cc2ccnn2[C@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585113017 468976324 /nfs/dbraw/zinc/97/63/24/468976324.db2.gz ZZKLDLJQWNEIPF-CYBMUJFWSA-N 0 0 326.391 2.200 40 0 EEABRN COc1cc(NCCCNC(=O)Nc2ccc(C(C)=O)cc2)ncn1 ZINC000585141287 468990784 /nfs/dbraw/zinc/99/07/84/468990784.db2.gz STAYYRZJEVAPLD-UHFFFAOYSA-N 0 0 343.387 2.312 40 0 EEABRN COc1ccnc(NC2CCN(c3cc4c(nn3)CCCC4)CC2)n1 ZINC000585149288 468992689 /nfs/dbraw/zinc/99/26/89/468992689.db2.gz GJSKWOVNPNXIRP-UHFFFAOYSA-N 0 0 340.431 2.235 40 0 EEABRN Cc1cccc(O[C@H](C)C(=O)NCCn2nc(C3CC3)ccc2=O)c1 ZINC000585150017 468993996 /nfs/dbraw/zinc/99/39/96/468993996.db2.gz YVBKIFYBYNEKLG-CQSZACIVSA-N 0 0 341.411 2.013 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)/C=C/c2ccccc2)c1 ZINC000585182478 468996086 /nfs/dbraw/zinc/99/60/86/468996086.db2.gz JTWJXBXAHCAWAT-VYENPZKTSA-N 0 0 349.434 2.233 40 0 EEABRN CC(=O)N[C@H]1CCCN(Cc2ccn(C)n2)[C@H]1Cc1ccccc1 ZINC000585269259 468997002 /nfs/dbraw/zinc/99/70/02/468997002.db2.gz NFBGJBZGSRVQFK-OALUTQOASA-N 0 0 326.444 2.132 40 0 EEABRN CO[C@@]1(COc2cccc(C)c2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276400 469000330 /nfs/dbraw/zinc/00/03/30/469000330.db2.gz JLGDMDRVXBATSZ-IBGZPJMESA-N 0 0 343.427 2.429 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2ncccc2O)C1 ZINC000585277183 469001603 /nfs/dbraw/zinc/00/16/03/469001603.db2.gz MYFSNGBXKSJLNL-IBGZPJMESA-N 0 0 342.395 2.487 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3ccnc(C)c3)C2)cc1 ZINC000585277215 469001716 /nfs/dbraw/zinc/00/17/16/469001716.db2.gz NGKSYOVIHXQPRK-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN CO[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1Cc1ccccc1F ZINC000585277233 469002377 /nfs/dbraw/zinc/00/23/77/469002377.db2.gz NPWVBGGGMWTNBS-IRXDYDNUSA-N 0 0 331.391 2.271 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)cn1 ZINC000585279475 469006439 /nfs/dbraw/zinc/00/64/39/469006439.db2.gz MRRBRQHYTRRJIL-AEFFLSMTSA-N 0 0 340.423 2.464 40 0 EEABRN O=C(NCCc1nnc2ccccn21)c1ccnc(OC2CCC2)c1 ZINC000089571240 534511396 /nfs/dbraw/zinc/51/13/96/534511396.db2.gz ZSYOXPOSGUAHPE-UHFFFAOYSA-N 0 0 337.383 2.028 40 0 EEABRN COC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)nc1C=O ZINC000036416148 521925345 /nfs/dbraw/zinc/92/53/45/521925345.db2.gz BVCPGWOYLZKQFI-UHFFFAOYSA-N 0 0 331.324 2.374 40 0 EEABRN CC(=O)N1CCO[C@](C)(C(=O)NCc2cccc3ccccc32)C1 ZINC000257231332 534801690 /nfs/dbraw/zinc/80/16/90/534801690.db2.gz GGFMJFZJHOEAGU-IBGZPJMESA-N 0 0 326.396 2.093 40 0 EEABRN O=C1[C@@H](N2CCS(=O)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000190537368 534825755 /nfs/dbraw/zinc/82/57/55/534825755.db2.gz CEXLEESIVFPGQU-ZDUSSCGKSA-N 0 0 347.267 2.163 40 0 EEABRN CC(=O)N1CCN(Cc2cccc(NC(=O)CC(F)(F)F)c2)CC1 ZINC000187156699 526629776 /nfs/dbraw/zinc/62/97/76/526629776.db2.gz IZDPUPCPPKQZFA-UHFFFAOYSA-N 0 0 343.349 2.242 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)C)cc1 ZINC000226053013 535180863 /nfs/dbraw/zinc/18/08/63/535180863.db2.gz UARDWIYTCQYNIO-UHFFFAOYSA-N 0 0 340.489 2.470 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@@H](Cc3nccnc3NC)C2)c(C)n1 ZINC000257253606 536025820 /nfs/dbraw/zinc/02/58/20/536025820.db2.gz JZOYCMWKJUGGQB-AWEZNQCLSA-N 0 0 342.447 2.138 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1OC ZINC000225581259 536802140 /nfs/dbraw/zinc/80/21/40/536802140.db2.gz YNIHYSSHYVMVSU-UHFFFAOYSA-N 0 0 341.410 2.022 40 0 EEABRN COc1ccccc1OCc1cn(CC(=O)N2CCCCCC2)nn1 ZINC000227160457 537098579 /nfs/dbraw/zinc/09/85/79/537098579.db2.gz MGLAZRDLSKHQDB-UHFFFAOYSA-N 0 0 344.415 2.268 40 0 EEABRN CCc1c(C)n(COCCOCc2cc(C)cc(C)c2)c(=O)[nH]c1=O ZINC000004697977 1350911916 /nfs/dbraw/zinc/91/19/16/1350911916.db2.gz WNIWHEGQRUDLEF-UHFFFAOYSA-N 0 0 346.427 2.215 40 0 EEABRN CC1=C(C(N)=O)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000071714 1349351311 /nfs/dbraw/zinc/35/13/11/1349351311.db2.gz MYYNOZWRAKLYOS-KRWDZBQOSA-N 0 0 337.379 2.379 40 0 EEABRN COc1ccccc1-c1nc2sc(=Cc3cccs3)c(=O)n2n1 ZINC000254589397 1405726250 /nfs/dbraw/zinc/72/62/50/1405726250.db2.gz PAIVVHXBTVZLGE-UHFFFAOYSA-N 0 0 341.417 2.436 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3COCCC3=O)c3cc(F)cc1c32 ZINC001740816675 1406109098 /nfs/dbraw/zinc/10/90/98/1406109098.db2.gz NMUQFJZKXLQPMN-IFXJQAMLSA-N 0 0 345.370 2.161 40 0 EEABRN CCn1cc(CC(=O)N2CCc3cccc(Br)c32)nn1 ZINC000906109672 783714684 /nfs/dbraw/zinc/71/46/84/783714684.db2.gz QIVGGZCDONWIOF-UHFFFAOYSA-N 0 0 335.205 2.192 40 0 EEABRN CN(C1CCN(Cc2cnc(-c3ccccc3)o2)CC1)S(C)(=O)=O ZINC000823720503 798760057 /nfs/dbraw/zinc/76/00/57/798760057.db2.gz KNHYGIDQJBKKEL-UHFFFAOYSA-N 0 0 349.456 2.197 40 0 EEABRN Cn1ccc(CN2CCC3(CC(=O)N(Cc4ccccc4)O3)CC2)n1 ZINC001549166579 1121135315 /nfs/dbraw/zinc/13/53/15/1121135315.db2.gz GGQDWEPZGTWSPV-UHFFFAOYSA-N 0 0 340.427 2.119 40 0 EEABRN O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000004701898 210252884 /nfs/dbraw/zinc/25/28/84/210252884.db2.gz YWKKQTJSTXXAPM-OEMYIYORSA-N 0 0 347.370 2.159 40 0 EEABRN C[C@@H](NC(=O)c1cc(NC(=O)c2ccco2)n(C)n1)c1ccncc1 ZINC000057279292 214415106 /nfs/dbraw/zinc/41/51/06/214415106.db2.gz BCFBDSJKVLDVOZ-LLVKDONJSA-N 0 0 339.355 2.151 40 0 EEABRN Cc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cc3ccsc3n21 ZINC000012114216 201825476 /nfs/dbraw/zinc/82/54/76/201825476.db2.gz YZEKWWHKLNJFGI-UHFFFAOYSA-N 0 0 344.440 2.278 40 0 EEABRN COc1ccccc1C[C@@H](C)NC(=O)c1cc(-c2cnn(C)c2)n[nH]1 ZINC000012147259 201828197 /nfs/dbraw/zinc/82/81/97/201828197.db2.gz MGCOXEKWNHLXRH-GFCCVEGCSA-N 0 0 339.399 2.180 40 0 EEABRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCSCC1 ZINC000066376378 215037433 /nfs/dbraw/zinc/03/74/33/215037433.db2.gz XYUVPLUHDNWXGB-INIZCTEOSA-N 0 0 334.485 2.480 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)N1CCCC1 ZINC000205875998 539656742 /nfs/dbraw/zinc/65/67/42/539656742.db2.gz UUGNUDQEJXHGJA-UKTHLTGXSA-N 0 0 332.381 2.051 40 0 EEABRN Cn1nc2c(cc1=O)C[C@H](C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000225741338 282813240 /nfs/dbraw/zinc/81/32/40/282813240.db2.gz RPAKEKPDJWMNRZ-RDTXWAMCSA-N 0 0 337.423 2.079 40 0 EEABRN COc1ccc(-c2cc([C@H]3CCN(C(=O)c4cc[nH]n4)C3)[nH]n2)cc1 ZINC000019557905 202010803 /nfs/dbraw/zinc/01/08/03/202010803.db2.gz UNBYXXNOYNQJPX-ZDUSSCGKSA-N 0 0 337.383 2.438 40 0 EEABRN CN(C)c1ccc(C[C@H](CO)n2cncc2-c2cnn(C)c2)cc1 ZINC000019719483 202017264 /nfs/dbraw/zinc/01/72/64/202017264.db2.gz JAQMLEIKOJAFKD-QGZVFWFLSA-N 0 0 325.416 2.126 40 0 EEABRN CCn1cc(C2CCN(C(=O)c3cc(C(=O)OC)co3)CC2)cn1 ZINC000183688186 235197830 /nfs/dbraw/zinc/19/78/30/235197830.db2.gz WFQPGDLEZKXEAO-UHFFFAOYSA-N 0 0 331.372 2.302 40 0 EEABRN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000020490162 202044853 /nfs/dbraw/zinc/04/48/53/202044853.db2.gz MJYFMYVXTNTKGS-UHFFFAOYSA-N 0 0 349.408 2.335 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccncc2)cc1Cl ZINC000030757982 202197961 /nfs/dbraw/zinc/19/79/61/202197961.db2.gz AEQMIIHKPFXFPO-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN O=S(=O)(CCN1CCOCC1)Oc1ccc(Cl)cc1Cl ZINC000033563612 202266337 /nfs/dbraw/zinc/26/63/37/202266337.db2.gz PYXSPPJUDUDTHU-UHFFFAOYSA-N 0 0 340.228 2.034 40 0 EEABRN CSCC[C@@H](NC(=O)c1cccnc1)c1nnc2ccccn21 ZINC000036625381 202326907 /nfs/dbraw/zinc/32/69/07/202326907.db2.gz BGNRGKUJQSFQEA-CYBMUJFWSA-N 0 0 327.413 2.349 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)NCCOc2cccc(C(C)(C)C)c2)c1C ZINC000070962005 202339519 /nfs/dbraw/zinc/33/95/19/202339519.db2.gz AGWUWWYJEQXCBN-UHFFFAOYSA-N 0 0 343.427 2.493 40 0 EEABRN O=C(N[C@@H]1CCCc2nc(-c3ccccn3)ncc21)c1cnccn1 ZINC000071195774 202342228 /nfs/dbraw/zinc/34/22/28/202342228.db2.gz NXYOBEAXRDUAJF-CQSZACIVSA-N 0 0 332.367 2.136 40 0 EEABRN Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)nc(N2CCCC2)n1 ZINC000072241149 202358113 /nfs/dbraw/zinc/35/81/13/202358113.db2.gz ZSDIHCXOEVOFLX-UHFFFAOYSA-N 0 0 340.383 2.044 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2oc1=O ZINC000072264785 202359253 /nfs/dbraw/zinc/35/92/53/202359253.db2.gz ZORNXEILGWNDDA-TXEJJXNPSA-N 0 0 338.429 2.281 40 0 EEABRN CC(C)C(=O)N[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O ZINC000072321770 202363981 /nfs/dbraw/zinc/36/39/81/202363981.db2.gz OIDDECWZYGIETC-AAVRWANBSA-N 0 0 331.334 2.055 40 0 biogenic,in-vitro EEABRN CC[C@H](C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)N1CCCC1=O ZINC000074230954 202372905 /nfs/dbraw/zinc/37/29/05/202372905.db2.gz AGNLKFZBBIUMRJ-WMLDXEAASA-N 0 0 340.427 2.451 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCCN1Cc1nnsc1Cl ZINC000074314095 202373635 /nfs/dbraw/zinc/37/36/35/202373635.db2.gz FFMPPGZYDQDZDS-QMMMGPOBSA-N 0 0 329.838 2.251 40 0 EEABRN O=S(=O)(Cc1cccc(F)c1)N1CCC(Cn2ccnc2)CC1 ZINC000075154701 202376142 /nfs/dbraw/zinc/37/61/42/202376142.db2.gz VYWOSXKAXLNYNX-UHFFFAOYSA-N 0 0 337.420 2.264 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c(C)o1 ZINC000077148706 202384446 /nfs/dbraw/zinc/38/44/46/202384446.db2.gz YMFRAYRJDHEKEX-UHFFFAOYSA-N 0 0 344.415 2.146 40 0 EEABRN CCc1ncncc1C(=O)OCC1CCN(CC(F)(F)F)CC1 ZINC000077944495 202394486 /nfs/dbraw/zinc/39/44/86/202394486.db2.gz MXWRNSIFKZEBIJ-UHFFFAOYSA-N 0 0 331.338 2.470 40 0 EEABRN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc(Cl)n1 ZINC000078549833 202396317 /nfs/dbraw/zinc/39/63/17/202396317.db2.gz CCNWREOUVKPDRY-SECBINFHSA-N 0 0 342.729 2.183 40 0 EEABRN CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076498451 202388942 /nfs/dbraw/zinc/38/89/42/202388942.db2.gz VLNZWHOOQGWCGM-KGLIPLIRSA-N 0 0 329.487 2.495 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000077235724 202391221 /nfs/dbraw/zinc/39/12/21/202391221.db2.gz XCMPOWGMIUGJOI-ZJUUUORDSA-N 0 0 334.239 2.007 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NC1CC(c2ccccc2)C1 ZINC000077661945 202392486 /nfs/dbraw/zinc/39/24/86/202392486.db2.gz KFRAZFJFHMKXMP-VRLRAXNCSA-N 0 0 336.457 2.150 40 0 EEABRN C[C@@H](NC(=O)Nc1ccc(Cn2ccccc2=O)cc1)[C@H](C)CO ZINC000077684697 202392587 /nfs/dbraw/zinc/39/25/87/202392587.db2.gz ZBAIHNKOJLMKQA-ZIAGYGMSSA-N 0 0 329.400 2.035 40 0 EEABRN CC[C@H](NC(=O)NCCN1CCOCC1)c1cc(F)ccc1F ZINC000077528426 202392657 /nfs/dbraw/zinc/39/26/57/202392657.db2.gz XJJPUGLAMPFBQR-HNNXBMFYSA-N 0 0 327.375 2.047 40 0 EEABRN Cc1noc(-c2ccnc(N3CCC(C(=O)N4CCCC4)CC3)c2)n1 ZINC000077487081 202393487 /nfs/dbraw/zinc/39/34/87/202393487.db2.gz UKMWMPSENDMMJR-UHFFFAOYSA-N 0 0 341.415 2.279 40 0 EEABRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(F)c(Br)c1 ZINC000194086222 201148175 /nfs/dbraw/zinc/14/81/75/201148175.db2.gz OJFIOCNCCMYQFK-WRWORJQWSA-N 0 0 344.184 2.234 40 0 EEABRN COc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1OCCO ZINC000281408100 201327225 /nfs/dbraw/zinc/32/72/25/201327225.db2.gz ZAUKXNLFVMTAJK-UHFFFAOYSA-N 0 0 337.401 2.294 40 0 EEABRN Cc1ccc(C(=O)N[C@H](C(=O)/N=c2/sccn2C)C(C)C)cc1 ZINC000104999922 201387804 /nfs/dbraw/zinc/38/78/04/201387804.db2.gz WSWBVDNEXSGGDQ-HMWBCQRISA-N 0 0 331.441 2.277 40 0 EEABRN O=C(c1cn[nH]n1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000132238843 223312663 /nfs/dbraw/zinc/31/26/63/223312663.db2.gz BIYXYHONESIVIE-ZETCQYMHSA-N 0 0 331.323 2.300 40 0 EEABRN COc1cc(=O)n(CCO[C@@H]2CCCCO2)cc1Br ZINC000192840419 239908233 /nfs/dbraw/zinc/90/82/33/239908233.db2.gz ATVNLVIAAOBXBW-CYBMUJFWSA-N 0 0 332.194 2.163 40 0 EEABRN Cc1cc(NC(=O)C(=O)N(Cc2ccco2)C2CCCC2)nn1C ZINC000195571273 241017947 /nfs/dbraw/zinc/01/79/47/241017947.db2.gz KZJQHICCAKLOLA-UHFFFAOYSA-N 0 0 330.388 2.231 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(COC)C(N)=S ZINC000218512117 241328354 /nfs/dbraw/zinc/32/83/54/241328354.db2.gz MECCANAPGGJGMX-OUCADQQQSA-N 0 0 347.889 2.159 40 0 EEABRN Cc1ccc(C2=NO[C@H](CNC(=O)NCc3ccnc(C)n3)C2)cc1 ZINC000225745065 242014899 /nfs/dbraw/zinc/01/48/99/242014899.db2.gz KFYZPRWQNVSOGC-INIZCTEOSA-N 0 0 339.399 2.086 40 0 EEABRN C[C@H](NC(=O)NCCCOC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000225756701 242021524 /nfs/dbraw/zinc/02/15/24/242021524.db2.gz MFYKYIYKDAUQLF-VIFPVBQESA-N 0 0 343.330 2.007 40 0 EEABRN CCn1nc(C)cc1CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000226746683 242111524 /nfs/dbraw/zinc/11/15/24/242111524.db2.gz NPEPSUGFEPHMIX-GOSISDBHSA-N 0 0 326.400 2.411 40 0 EEABRN Cn1nc(OCC(=O)NCC2CC2)c2cc(Br)ccc21 ZINC000226754613 242113545 /nfs/dbraw/zinc/11/35/45/242113545.db2.gz WLDJYWYBAQCACC-UHFFFAOYSA-N 0 0 338.205 2.241 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000005120083 201639101 /nfs/dbraw/zinc/63/91/01/201639101.db2.gz ONDQRYOIXQKKGA-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC000020768337 212170137 /nfs/dbraw/zinc/17/01/37/212170137.db2.gz GIEAZLHPVIENID-UHFFFAOYSA-N 0 0 336.388 2.006 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@H](c2nccs2)C2CC2)C[C@H]1C ZINC000252490705 243795884 /nfs/dbraw/zinc/79/58/84/243795884.db2.gz KZGVYHMOCHTRRZ-RSAASHCRSA-N 0 0 337.445 2.435 40 0 EEABRN Cc1ccc2ncnc(N3CCN(C(=O)Cc4ccccn4)CC3)c2c1 ZINC000092687639 203086358 /nfs/dbraw/zinc/08/63/58/203086358.db2.gz YOVAUGWBEUAYMI-UHFFFAOYSA-N 0 0 347.422 2.225 40 0 EEABRN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000093102979 203092497 /nfs/dbraw/zinc/09/24/97/203092497.db2.gz CGMMKLAHEZUIEM-SJORKVTESA-N 0 0 343.427 2.104 40 0 EEABRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cnnn1C ZINC000091962095 203078164 /nfs/dbraw/zinc/07/81/64/203078164.db2.gz CWNRFIDLQONCDW-HNAYVOBHSA-N 0 0 342.491 2.251 40 0 EEABRN c1cc2n(n1)[C@@H](CCOCC1CCOCC1)CN(C1CCOCC1)C2 ZINC000253588720 244024501 /nfs/dbraw/zinc/02/45/01/244024501.db2.gz PODRVYHPSDWRML-IBGZPJMESA-N 0 0 349.475 2.252 40 0 EEABRN Cc1ncc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c(C)n1 ZINC000257202252 244124510 /nfs/dbraw/zinc/12/45/10/244124510.db2.gz ALAZPQHYEIAZRE-OAHLLOKOSA-N 0 0 327.388 2.055 40 0 EEABRN CC1(c2ncc(Cl)s2)CCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC000257218483 244175579 /nfs/dbraw/zinc/17/55/79/244175579.db2.gz DDHLDVPTHWHJMU-UHFFFAOYSA-N 0 0 346.865 2.262 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2cnc(C)nc2C)nc(C)n1 ZINC000257222341 244188953 /nfs/dbraw/zinc/18/89/53/244188953.db2.gz DSXCWXPAICFXDS-OAHLLOKOSA-N 0 0 326.404 2.211 40 0 EEABRN CCn1nccc1-c1cc([C@@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257223657 244192722 /nfs/dbraw/zinc/19/27/22/244192722.db2.gz DYIRYYKBMXLUNN-CQSZACIVSA-N 0 0 334.445 2.104 40 0 EEABRN Cc1ccn(CCC(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)n1 ZINC000257224434 244194423 /nfs/dbraw/zinc/19/44/23/244194423.db2.gz FBUZYNZPKOQFKT-GOSISDBHSA-N 0 0 343.431 2.104 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@H]2c2cnccn2)cc1C(F)(F)F ZINC000257231215 244213275 /nfs/dbraw/zinc/21/32/75/244213275.db2.gz GFUVKZIQFVNOKK-NSHDSACASA-N 0 0 325.294 2.206 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cc(F)ccc2F)n1 ZINC000257243989 244250409 /nfs/dbraw/zinc/25/04/09/244250409.db2.gz IJKWCZGTHFJJLE-AWEZNQCLSA-N 0 0 348.353 2.319 40 0 EEABRN Cc1nccn1-c1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072379185 203210224 /nfs/dbraw/zinc/21/02/24/203210224.db2.gz FUGBUUMLMRWUKA-UHFFFAOYSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCOc2ccccc2)[C@H]1O ZINC000257246532 244257082 /nfs/dbraw/zinc/25/70/82/244257082.db2.gz IUOHTAHMKOAOSM-ZHALLVOQSA-N 0 0 343.427 2.231 40 0 EEABRN Cc1nc([C@@H]2CN(C(=O)C=Cc3ccccc3)CCO2)cc(=O)[nH]1 ZINC000257232967 244220361 /nfs/dbraw/zinc/22/03/61/244220361.db2.gz GNDJOWBMJAPUAF-WAVCKPEOSA-N 0 0 325.368 2.104 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(NC[C@H]2COCCO2)c1C ZINC000072337423 203201903 /nfs/dbraw/zinc/20/19/03/203201903.db2.gz AGTGDNTUZFXGRX-HNNXBMFYSA-N 0 0 346.431 2.067 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(cc1=O)CO[C@H]2C ZINC000072342373 203203531 /nfs/dbraw/zinc/20/35/31/203203531.db2.gz YLNSELGSHQEXDD-JTQLQIEISA-N 0 0 333.775 2.435 40 0 EEABRN Cc1ccc(Nc2nc([C@@H]3CCCN(CC(N)=O)C3)cs2)nc1 ZINC000072367861 203207253 /nfs/dbraw/zinc/20/72/53/203207253.db2.gz BXCMFYPWLMLODG-GFCCVEGCSA-N 0 0 331.445 2.255 40 0 EEABRN CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2ccccc2)cn1 ZINC000257249694 244265755 /nfs/dbraw/zinc/26/57/55/244265755.db2.gz JJJWDWHERQGPAT-UHFFFAOYSA-N 0 0 348.406 2.438 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ccc(C)s2)n1 ZINC000257251902 244270296 /nfs/dbraw/zinc/27/02/96/244270296.db2.gz JSUIRBWMDWGKQD-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN COc1ccc(C2(C(=O)N3CCO[C@@H](c4nc(C)c[nH]4)C3)CC2)cc1 ZINC000257253614 244275484 /nfs/dbraw/zinc/27/54/84/244275484.db2.gz JZPKTEMOTHCJIJ-MRXNPFEDSA-N 0 0 341.411 2.358 40 0 EEABRN COc1cccc(F)c1CN1CCO[C@H](CCc2ccncn2)C1 ZINC000257253353 244276242 /nfs/dbraw/zinc/27/62/42/244276242.db2.gz JYNPKVBBIBLIBR-OAHLLOKOSA-N 0 0 331.391 2.458 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257259092 244289648 /nfs/dbraw/zinc/28/96/48/244289648.db2.gz KWUCSRIWKIQBLG-OAHLLOKOSA-N 0 0 336.395 2.289 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257259010 244290195 /nfs/dbraw/zinc/29/01/95/244290195.db2.gz KWKVMSRZHFOBLS-KRWDZBQOSA-N 0 0 326.396 2.381 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1ccnc(C)n1 ZINC000257259634 244293199 /nfs/dbraw/zinc/29/31/99/244293199.db2.gz KZGVXYGVEAXYHF-SFHVURJKSA-N 0 0 340.427 2.199 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cncc(N(C)C)n1 ZINC000257266028 244361334 /nfs/dbraw/zinc/36/13/34/244361334.db2.gz MBHOIZKKIFQCNS-MRXNPFEDSA-N 0 0 343.431 2.444 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC(Cc2nccc3cc[nH]c32)C1 ZINC000257268284 244367176 /nfs/dbraw/zinc/36/71/76/244367176.db2.gz MLABUGJULHKBOJ-UHFFFAOYSA-N 0 0 327.409 2.426 40 0 EEABRN Cc1cc(CC[C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)ncn1 ZINC000257261174 244346527 /nfs/dbraw/zinc/34/65/27/244346527.db2.gz LGAZPRZMZZFNTP-QGZVFWFLSA-N 0 0 343.402 2.327 40 0 EEABRN CCc1nnsc1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257264017 244356004 /nfs/dbraw/zinc/35/60/04/244356004.db2.gz LSMFZONSEOGHKD-UHFFFAOYSA-N 0 0 342.428 2.163 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cccn1C ZINC000257271583 244380182 /nfs/dbraw/zinc/38/01/82/244380182.db2.gz MYXLJJSLYAGRGP-KRWDZBQOSA-N 0 0 341.411 2.079 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccc(C)s2)n1 ZINC000257274869 244389534 /nfs/dbraw/zinc/38/95/34/244389534.db2.gz NMYKPIZFKZSEQE-LBPRGKRZSA-N 0 0 332.429 2.410 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1cccs1 ZINC000257303275 244469169 /nfs/dbraw/zinc/46/91/69/244469169.db2.gz SGMKYQYKFUDEOH-CQSZACIVSA-N 0 0 344.440 2.460 40 0 EEABRN COCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@H]2C ZINC000096109575 203837352 /nfs/dbraw/zinc/83/73/52/203837352.db2.gz MWMWHCCQWAIQAW-LBPRGKRZSA-N 0 0 343.383 2.018 40 0 EEABRN CCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ncn(C)c21 ZINC000096044824 203804782 /nfs/dbraw/zinc/80/47/82/203804782.db2.gz VQLGHIRKZUOHII-AWEZNQCLSA-N 0 0 349.456 2.053 40 0 EEABRN O=C(c1cscn1)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045823 203806685 /nfs/dbraw/zinc/80/66/85/203806685.db2.gz OZFKYPGZBSROLJ-ZMLRMANQSA-N 0 0 332.385 2.006 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N3CC3CC3)C2)cn1 ZINC000096071203 203824276 /nfs/dbraw/zinc/82/42/76/203824276.db2.gz ISHFUSBTDFZSBM-LJQANCHMSA-N 0 0 327.428 2.397 40 0 EEABRN CCn1ncc(CNC(=O)[C@]2(C)Sc3ccccc3NC2=O)c1C ZINC000041644980 204050927 /nfs/dbraw/zinc/05/09/27/204050927.db2.gz GWTVLTVWALKMTM-KRWDZBQOSA-N 0 0 344.440 2.331 40 0 EEABRN O=C(C1CCCCC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108534166 204267790 /nfs/dbraw/zinc/26/77/90/204267790.db2.gz INORTGDMCALIDH-OALUTQOASA-N 0 0 343.471 2.464 40 0 EEABRN COCCN1CCCC2(CCN(C(=O)c3cc(C)oc3C)CC2)C1=O ZINC000108534524 204267859 /nfs/dbraw/zinc/26/78/59/204267859.db2.gz CUVWUYOVCPHEBK-UHFFFAOYSA-N 0 0 348.443 2.388 40 0 EEABRN Cc1ccc([C@@H](O)CNC(=O)C2(c3ccccc3)CCOCC2)o1 ZINC000049026811 204361996 /nfs/dbraw/zinc/36/19/96/204361996.db2.gz SPHBZHTVZISMDQ-INIZCTEOSA-N 0 0 329.396 2.486 40 0 EEABRN CN(C)[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000079297898 217204586 /nfs/dbraw/zinc/20/45/86/217204586.db2.gz ATCGDRDNBTUESC-LJQANCHMSA-N 0 0 338.455 2.029 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000131478839 205291465 /nfs/dbraw/zinc/29/14/65/205291465.db2.gz VUMGDBKKIRKJRU-CABCVRRESA-N 0 0 339.480 2.092 40 0 EEABRN Cc1ccc2c(c1)c1nnc(SCC(=O)NC3CC3)nc1n2C ZINC000001366133 205590199 /nfs/dbraw/zinc/59/01/99/205590199.db2.gz IIMMAVGIJKFYDQ-UHFFFAOYSA-N 0 0 327.413 2.196 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCCO1 ZINC000155743878 206032154 /nfs/dbraw/zinc/03/21/54/206032154.db2.gz VBIBKTHIRAJCKG-ZDUSSCGKSA-N 0 0 338.791 2.117 40 0 EEABRN CCOC(=O)CN(Cc1ccccc1)CC(F)(F)C(=O)OCC ZINC000169801139 206565401 /nfs/dbraw/zinc/56/54/01/206565401.db2.gz FIYZBWONGOONHI-UHFFFAOYSA-N 0 0 329.343 2.250 40 0 EEABRN CCn1cc(NC(=O)C2CCN(c3nc(C)nc(C)c3C)CC2)cn1 ZINC000095416547 218355695 /nfs/dbraw/zinc/35/56/95/218355695.db2.gz IRZYGDRRJHTAIT-UHFFFAOYSA-N 0 0 342.447 2.473 40 0 EEABRN Cc1[nH]c(C(=O)N2CCC[C@H]2C2CCCC2)c(C)c1S(N)(=O)=O ZINC000095418259 218357812 /nfs/dbraw/zinc/35/78/12/218357812.db2.gz WLUBOKNFXYLEIV-ZDUSSCGKSA-N 0 0 339.461 2.074 40 0 EEABRN CCNC(=O)CCC(=O)N[C@H](C)Cc1ccccc1Br ZINC000095414214 218352334 /nfs/dbraw/zinc/35/23/34/218352334.db2.gz ZDZDNAQMLCCSQA-LLVKDONJSA-N 0 0 341.249 2.413 40 0 EEABRN Cc1ccc(NC(=O)CN(C)c2ncc(Br)cn2)nc1 ZINC000095429754 218372661 /nfs/dbraw/zinc/37/26/61/218372661.db2.gz QLILPVMLBUCZLC-UHFFFAOYSA-N 0 0 336.193 2.017 40 0 EEABRN COC(=O)[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000173622422 206943628 /nfs/dbraw/zinc/94/36/28/206943628.db2.gz BQLFXRZRVVXHNA-IAQYHMDHSA-N 0 0 332.379 2.318 40 0 EEABRN O=C(c1ccccc1Br)N1CCC2(CC1)OCCO2 ZINC000012021063 207061883 /nfs/dbraw/zinc/06/18/83/207061883.db2.gz HCUMYRPDTMGDMV-UHFFFAOYSA-N 0 0 326.190 2.428 40 0 EEABRN CCc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000096121290 218613029 /nfs/dbraw/zinc/61/30/29/218613029.db2.gz MYGAPJQHDKSMSF-UHFFFAOYSA-N 0 0 340.427 2.114 40 0 EEABRN COC[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(C)o1 ZINC000175678279 207149218 /nfs/dbraw/zinc/14/92/18/207149218.db2.gz BISCQJSDOMVHSM-INMHGKMJSA-N 0 0 330.384 2.233 40 0 EEABRN COc1cc(Cl)ccc1CNC(=O)NCC[C@H](O)C(F)(F)F ZINC000096413322 218770348 /nfs/dbraw/zinc/77/03/48/218770348.db2.gz GNFDNAISHTYXMC-NSHDSACASA-N 0 0 340.729 2.461 40 0 EEABRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000096414592 218772586 /nfs/dbraw/zinc/77/25/86/218772586.db2.gz ZMFSFWUXYNFCOP-CQSZACIVSA-N 0 0 328.343 2.249 40 0 EEABRN COc1c2ccoc2c(OC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 ZINC000013380829 207384366 /nfs/dbraw/zinc/38/43/66/207384366.db2.gz PKRPFNXROFUNDE-NSHDSACASA-N 0 0 334.324 2.058 40 0 endogenous,in-man EEABRN CC[C@@H](NC(=O)CCn1cncn1)c1nc(C(F)(F)F)cs1 ZINC000096443885 218825423 /nfs/dbraw/zinc/82/54/23/218825423.db2.gz SBUULGZIXHCXOW-MRVPVSSYSA-N 0 0 333.339 2.411 40 0 EEABRN O=C(NCC[C@H]1CCCCO1)Nc1cccn(CC(F)(F)F)c1=O ZINC000097236231 219002426 /nfs/dbraw/zinc/00/24/26/219002426.db2.gz BDTOEHFOYUIVIC-LLVKDONJSA-N 0 0 347.337 2.491 40 0 EEABRN COCCCn1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000097374985 219018255 /nfs/dbraw/zinc/01/82/55/219018255.db2.gz SSHMLQRYDWEFAU-CQSZACIVSA-N 0 0 332.408 2.402 40 0 EEABRN COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccccc2F)cc1OC ZINC000072227093 257686379 /nfs/dbraw/zinc/68/63/79/257686379.db2.gz SOENEXQQPULRFT-IRXDYDNUSA-N 0 0 330.359 2.254 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000245304958 258000447 /nfs/dbraw/zinc/00/04/47/258000447.db2.gz HHNABHVCVXDCNN-NUTKFTJISA-N 0 0 336.480 2.328 40 0 EEABRN O=C(CN1CCN(c2ccc(F)cc2)CC1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000055562699 132195932 /nfs/dbraw/zinc/19/59/32/132195932.db2.gz WSZGQWODUQPPNN-DAYGRLMNSA-N 0 0 331.435 2.253 40 0 EEABRN O=C(Cc1cccs1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000056997248 132198216 /nfs/dbraw/zinc/19/82/16/132198216.db2.gz IMUZKKPIEIKTST-UHFFFAOYSA-N 0 0 347.459 2.368 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)NC(C)C)c(=O)c1n2C(C)C ZINC000012183701 292017688 /nfs/dbraw/zinc/01/76/88/292017688.db2.gz HZGSDTJWKFERDV-UHFFFAOYSA-N 0 0 330.388 2.358 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000057355506 296862741 /nfs/dbraw/zinc/86/27/41/296862741.db2.gz LKYKWHNAFHHYNR-GZOSKZMVSA-N 0 0 330.428 2.232 40 0 EEABRN Cn1nccc1C1=CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1 ZINC000290917052 275252199 /nfs/dbraw/zinc/25/21/99/275252199.db2.gz AVWFTNZDXPOBFY-UHFFFAOYSA-N 0 0 335.473 2.419 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(c2nc(CC)nc3c(C)nn(CC)c32)C1 ZINC000072243036 276286914 /nfs/dbraw/zinc/28/69/14/276286914.db2.gz MRBFJCIWVPJKRG-CYBMUJFWSA-N 0 0 345.447 2.497 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cc(C(=O)N(C)C)ccc2[C@H]1c1cnco1 ZINC000248048718 279006764 /nfs/dbraw/zinc/00/67/64/279006764.db2.gz WZGNVQMAXGBYJB-JGFGOQIWSA-N 0 0 339.395 2.464 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1C ZINC000072527271 279230529 /nfs/dbraw/zinc/23/05/29/279230529.db2.gz COWSTCHMZWILEV-OAHLLOKOSA-N 0 0 349.394 2.440 40 0 EEABRN O=C1N[C@@H](c2c(F)cccc2OC(F)(F)F)N2CCSC[C@@H]12 ZINC000252491783 280296937 /nfs/dbraw/zinc/29/69/37/280296937.db2.gz LTFUSOAXGKQDBZ-GZMMTYOYSA-N 0 0 336.310 2.270 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000072237935 289814731 /nfs/dbraw/zinc/81/47/31/289814731.db2.gz VNROFVJLPCNPCZ-IAGOWNOFSA-N 0 0 328.343 2.363 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472537 290403986 /nfs/dbraw/zinc/40/39/86/290403986.db2.gz AHROYOFTHSBXBC-QEJZJMRPSA-N 0 0 336.457 2.170 40 0 EEABRN CCO[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000283137432 292905401 /nfs/dbraw/zinc/90/54/01/292905401.db2.gz ZZXUKIDZPGYVNF-SDDRHHMPSA-N 0 0 349.412 2.123 40 0 EEABRN CC1(C)CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H](C(F)(F)F)O1 ZINC000293656178 293262476 /nfs/dbraw/zinc/26/24/76/293262476.db2.gz HGMMAXIQDZVBHC-LLVKDONJSA-N 0 0 328.294 2.140 40 0 EEABRN Cc1nnc(C)n1N1Cn2c3ccccc3nc2N(Cc2ccco2)C1 ZINC000020637206 293816442 /nfs/dbraw/zinc/81/64/42/293816442.db2.gz LZSCJVIEILASPG-UHFFFAOYSA-N 0 0 349.398 2.411 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3F)CC2)cc1C ZINC000301561369 294869121 /nfs/dbraw/zinc/86/91/21/294869121.db2.gz JBOSYMUKVGVGMZ-UHFFFAOYSA-N 0 0 349.431 2.348 40 0 EEABRN COc1cccc([C@@H]2[C@H](NS(=O)(=O)C3CC3)CCN2C2CC2)c1 ZINC000179906069 295321858 /nfs/dbraw/zinc/32/18/58/295321858.db2.gz WKCHHSJXAMGUDD-IAGOWNOFSA-N 0 0 336.457 2.055 40 0 EEABRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCN1C(=O)NC(C)(C)C1=O ZINC000078923110 297167429 /nfs/dbraw/zinc/16/74/29/297167429.db2.gz BLBQPMBRBUGGPC-YCPHGPKFSA-N 0 0 345.443 2.167 40 0 EEABRN Cc1ccccc1C(=O)N1C[C@@H](C(=O)NC(C)C)C2(C1)CCOCC2 ZINC000096240774 302080023 /nfs/dbraw/zinc/08/00/23/302080023.db2.gz MPOIHFHYAQPTNL-KRWDZBQOSA-N 0 0 344.455 2.388 40 0 EEABRN Cc1nnc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000078989117 302824303 /nfs/dbraw/zinc/82/43/03/302824303.db2.gz ZUOCLQGGXLVKSG-GXSJLCMTSA-N 0 0 325.365 2.382 40 0 EEABRN Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)N2CCCC2)n1 ZINC000012159672 302913859 /nfs/dbraw/zinc/91/38/59/302913859.db2.gz VHBWEIGYTMDKOO-ZDUSSCGKSA-N 0 0 346.884 2.331 40 0 EEABRN Fc1cnc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC000253430587 303137213 /nfs/dbraw/zinc/13/72/13/303137213.db2.gz KBHXQQODAAZCCB-UHFFFAOYSA-N 0 0 348.329 2.203 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@H]2CCC[C@H]21 ZINC000096440608 303868175 /nfs/dbraw/zinc/86/81/75/303868175.db2.gz RCLHHPCYEAHRQA-IJLUTSLNSA-N 0 0 333.354 2.124 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000002109035 304818469 /nfs/dbraw/zinc/81/84/69/304818469.db2.gz BEZLPZKFPUFLLK-CWVYHPPDSA-N 0 0 341.480 2.107 40 0 EEABRN C[C@@H]1CC(Nc2ncnc3ccc(S(C)(=O)=O)cc32)C[C@@H](C)O1 ZINC000302859310 311554109 /nfs/dbraw/zinc/55/41/09/311554109.db2.gz UFVZHMZRAPRGJH-GHMZBOCLSA-N 0 0 335.429 2.401 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330790454 311786544 /nfs/dbraw/zinc/78/65/44/311786544.db2.gz SQJUYOPAYPRKAV-YPMHNXCESA-N 0 0 344.864 2.265 40 0 EEABRN Cn1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nn1 ZINC000331626027 311881450 /nfs/dbraw/zinc/88/14/50/311881450.db2.gz PCCXDPRHJNOLSF-SMDDNHRTSA-N 0 0 326.322 2.142 40 0 EEABRN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCc2nncn2C1 ZINC000333095543 312091422 /nfs/dbraw/zinc/09/14/22/312091422.db2.gz PBFXXWTXIGHCTM-TUAOUCFPSA-N 0 0 330.354 2.468 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)c2cccc(C(F)F)c2F)cn1 ZINC000528708277 317455311 /nfs/dbraw/zinc/45/53/11/317455311.db2.gz TXQYHKAROALUTL-HNNXBMFYSA-N 0 0 327.306 2.134 40 0 EEABRN Cc1cc(C)cc(C2(C(=O)N3CCC([N@H+](C)CC(=O)[O-])CC3)CC2)c1 ZINC000575047659 320082496 /nfs/dbraw/zinc/08/24/96/320082496.db2.gz HRLSTFUTFHKCJP-UHFFFAOYSA-N 0 0 344.455 2.342 40 0 EEABRN CCNC(=O)NC(=O)[C@H](C)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000097377398 323322190 /nfs/dbraw/zinc/32/21/90/323322190.db2.gz RJHOKKWVQROLNM-NSHDSACASA-N 0 0 349.822 2.231 40 0 EEABRN CCn1cc(CN2CCCN(C(=O)[C@@H](C)c3ccccn3)CC2)cn1 ZINC000328771465 465124629 /nfs/dbraw/zinc/12/46/29/465124629.db2.gz JHLIGFXRIHYTIR-INIZCTEOSA-N 0 0 341.459 2.136 40 0 EEABRN O=C1N(c2ccccn2)C[C@H]2CN(Cc3ccccc3F)CCN12 ZINC000085436156 462547202 /nfs/dbraw/zinc/54/72/02/462547202.db2.gz DBTPDRMKVHYUHJ-OAHLLOKOSA-N 0 0 326.375 2.347 40 0 biogenic,in-vitro EEABRN Cc1ccccc1OCC(=O)NCc1cc(-c2ccncc2)n(C)n1 ZINC000085556274 462553058 /nfs/dbraw/zinc/55/30/58/462553058.db2.gz OGWHWDQWEYWMAM-UHFFFAOYSA-N 0 0 336.395 2.486 40 0 EEABRN OC[C@H]1CO[C@@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297656 462553977 /nfs/dbraw/zinc/55/39/77/462553977.db2.gz VJZJGRMLFMJRGG-SMDDNHRTSA-N 0 0 329.183 2.451 40 0 EEABRN CCN(CC)C(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000000417661 462560456 /nfs/dbraw/zinc/56/04/56/462560456.db2.gz WDSAHGWGIUIUCD-UHFFFAOYSA-N 0 0 329.429 2.477 40 0 EEABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)N(C)C ZINC000000904804 462574865 /nfs/dbraw/zinc/57/48/65/462574865.db2.gz KIJFSYIQIDTFHR-UHFFFAOYSA-N 0 0 334.445 2.366 40 0 EEABRN CC(=O)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000001345002 462579507 /nfs/dbraw/zinc/57/95/07/462579507.db2.gz WJDBHDSEQAIJOB-KRWDZBQOSA-N 0 0 345.326 2.475 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000086991628 462582001 /nfs/dbraw/zinc/58/20/01/462582001.db2.gz PRWJIUQAFWYYPH-AWEZNQCLSA-N 0 0 342.447 2.459 40 0 EEABRN CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccn2)CC1 ZINC000001635193 462584778 /nfs/dbraw/zinc/58/47/78/462584778.db2.gz NPWQYMIYZLJZDI-UHFFFAOYSA-N 0 0 346.481 2.322 40 0 EEABRN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@H]1c1ccc(O)cc1 ZINC000003191424 462612781 /nfs/dbraw/zinc/61/27/81/462612781.db2.gz HEOBEJHCMPOTCR-CQSZACIVSA-N 0 0 347.367 2.077 40 0 EEABRN Cn1cc(NC(=O)CC[C@H]2CCCO2)cc(Br)c1=O ZINC000088213539 462615261 /nfs/dbraw/zinc/61/52/61/462615261.db2.gz BSTSQDLYWCYRMF-SNVBAGLBSA-N 0 0 329.194 2.046 40 0 EEABRN Cc1c(Cl)cccc1N(CCCC(=O)NC1CC1)S(C)(=O)=O ZINC000113966048 462618613 /nfs/dbraw/zinc/61/86/13/462618613.db2.gz VOXXBIMSNDOCJC-UHFFFAOYSA-N 0 0 344.864 2.473 40 0 EEABRN CCCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957471 462618989 /nfs/dbraw/zinc/61/89/89/462618989.db2.gz ZFKBOAJIVRTZQM-JTQLQIEISA-N 0 0 334.388 2.036 40 0 EEABRN Cc1ccc(C(=O)NCCCCCNC(=O)c2ccc(C)nc2)cn1 ZINC000004510873 462632901 /nfs/dbraw/zinc/63/29/01/462632901.db2.gz BLIYUEWTVJAXFL-UHFFFAOYSA-N 0 0 340.427 2.424 40 0 EEABRN CCCNC(=O)CSc1nnc2c3cc(OC)ccc3[nH]c2n1 ZINC000004861461 462639583 /nfs/dbraw/zinc/63/95/83/462639583.db2.gz MOFZBZMMMVXBJZ-UHFFFAOYSA-N 0 0 331.401 2.133 40 0 EEABRN O=C(CN(C(=O)c1csnn1)c1ccccc1F)NC1CCCC1 ZINC000004964716 462642847 /nfs/dbraw/zinc/64/28/47/462642847.db2.gz CFCMEAHKEVICFF-UHFFFAOYSA-N 0 0 348.403 2.383 40 0 EEABRN C[C@H](NC(=O)c1cccnc1Cl)c1nnc(-c2ccncc2)[nH]1 ZINC000005001920 462644177 /nfs/dbraw/zinc/64/41/77/462644177.db2.gz IRRGKLMTAYOKTJ-VIFPVBQESA-N 0 0 328.763 2.406 40 0 EEABRN CC1CCN(c2ncc3c(=O)n(CCc4ccccn4)cc-3[nH]2)CC1 ZINC000046087669 462646492 /nfs/dbraw/zinc/64/64/92/462646492.db2.gz JSRZOZHQQJSCJI-UHFFFAOYSA-N 0 0 337.427 2.306 40 0 EEABRN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC)C2)cc1OCC ZINC000046128421 462650718 /nfs/dbraw/zinc/65/07/18/462650718.db2.gz NVNPKDXNZNMFES-OAHLLOKOSA-N 0 0 348.443 2.011 40 0 EEABRN COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000005251248 462651893 /nfs/dbraw/zinc/65/18/93/462651893.db2.gz ODPWLJUIGDBOCG-UHFFFAOYSA-N 0 0 346.770 2.382 40 0 EEABRN Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006300110 462681720 /nfs/dbraw/zinc/68/17/20/462681720.db2.gz SJUVPISBFMURPV-HNNXBMFYSA-N 0 0 346.452 2.287 40 0 EEABRN CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006357566 462683697 /nfs/dbraw/zinc/68/36/97/462683697.db2.gz YTBGRINYZKBLQQ-LLVKDONJSA-N 0 0 332.853 2.265 40 0 EEABRN CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O ZINC000006412006 462685998 /nfs/dbraw/zinc/68/59/98/462685998.db2.gz OAOVABNAQSSJLP-LCYFTJDESA-N 0 0 349.368 2.098 40 0 EEABRN CCN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006630201 462693035 /nfs/dbraw/zinc/69/30/35/462693035.db2.gz CXXHSHBQZZIPCF-GXDHUFHOSA-N 0 0 326.312 2.298 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c(C)s1 ZINC000006680013 462695869 /nfs/dbraw/zinc/69/58/69/462695869.db2.gz MSUYAAVMWPALQB-UHFFFAOYSA-N 0 0 328.390 2.356 40 0 EEABRN CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007216266 462726012 /nfs/dbraw/zinc/72/60/12/462726012.db2.gz ACZZTAPHGIROTD-UHFFFAOYSA-N 0 0 337.372 2.418 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N1CCOC[C@@H]1C1CC1 ZINC000089888863 462734949 /nfs/dbraw/zinc/73/49/49/462734949.db2.gz VKDPWLYWDKFJHV-GOSISDBHSA-N 0 0 340.427 2.235 40 0 EEABRN COc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000047227705 462757760 /nfs/dbraw/zinc/75/77/60/462757760.db2.gz MZMLMBAJZHPSFA-UHFFFAOYSA-N 0 0 340.423 2.457 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCCN(c3ccccc3)CC2)cn1 ZINC000154714345 462801016 /nfs/dbraw/zinc/80/10/16/462801016.db2.gz MNIPHGNJESMPSG-UHFFFAOYSA-N 0 0 340.431 2.287 40 0 EEABRN COc1cc(/C=C/C(=O)NCCCn2ccnc2)cc(OC)c1OC ZINC000009886126 462808113 /nfs/dbraw/zinc/80/81/13/462808113.db2.gz GUMKKOMWJHPGEQ-AATRIKPKSA-N 0 0 345.399 2.129 40 0 EEABRN COC(=O)c1ccc(CN2CCN(Cc3cccnc3)CC2)s1 ZINC000091076689 462829793 /nfs/dbraw/zinc/82/97/93/462829793.db2.gz IXJFMLAQNZBXAY-UHFFFAOYSA-N 0 0 331.441 2.248 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@]2(C1)Nc1ccccc1C(=O)N2 ZINC000012089277 462843944 /nfs/dbraw/zinc/84/39/44/462843944.db2.gz VSDOHRBRSVCREP-KRWDZBQOSA-N 0 0 342.424 2.239 40 0 EEABRN COCCN(C(=O)C1CCC1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146080 462845393 /nfs/dbraw/zinc/84/53/93/462845393.db2.gz XUYJICOQHBDURZ-UHFFFAOYSA-N 0 0 346.456 2.422 40 0 EEABRN Nc1cc(-c2ccco2)nn(CC(=O)NCCC2=CCCCC2)c1=O ZINC000012146628 462845438 /nfs/dbraw/zinc/84/54/38/462845438.db2.gz POPLSHOHVXLHIE-UHFFFAOYSA-N 0 0 342.399 2.092 40 0 EEABRN CCn1c2ccccc2nc1N1CCC(C(=O)Nc2nc[nH]n2)CC1 ZINC000012221316 462847030 /nfs/dbraw/zinc/84/70/30/462847030.db2.gz UBFICEVZSSOBKI-UHFFFAOYSA-N 0 0 339.403 2.029 40 0 EEABRN O=C(CC1CCCC1)N[C@H]1CCCc2nc(N3CCOCC3)ncc21 ZINC000013265699 462889068 /nfs/dbraw/zinc/88/90/68/462889068.db2.gz ILKNOBRGHUJUKC-INIZCTEOSA-N 0 0 344.459 2.387 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000155779244 462942818 /nfs/dbraw/zinc/94/28/18/462942818.db2.gz UHEJGMXBKQGPMG-KBAYOESNSA-N 0 0 344.455 2.248 40 0 EEABRN O=C(COc1ccccc1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000049031318 462950712 /nfs/dbraw/zinc/95/07/12/462950712.db2.gz LODHXGNRNXXFIO-MRXNPFEDSA-N 0 0 346.452 2.005 40 0 EEABRN COc1cccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000049874140 462978972 /nfs/dbraw/zinc/97/89/72/462978972.db2.gz QMALISFNZBHQLG-UHFFFAOYSA-N 0 0 340.423 2.418 40 0 EEABRN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)n2nc(-c3nccn3C)cc2n1 ZINC000019117265 463014196 /nfs/dbraw/zinc/01/41/96/463014196.db2.gz LJBKZGWKXWLGOQ-STQMWFEESA-N 0 0 326.404 2.052 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2cccnc2N2CCC[C@@H]2C1=O ZINC000019496221 463018158 /nfs/dbraw/zinc/01/81/58/463018158.db2.gz BXJNRXUKTXASOW-IJEWVQPXSA-N 0 0 342.443 2.092 40 0 EEABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000078148485 463086998 /nfs/dbraw/zinc/08/69/98/463086998.db2.gz OOVOLAQIKSTHBI-YSVLISHTSA-N 0 0 348.468 2.390 40 0 EEABRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccnc1 ZINC000096041897 463146655 /nfs/dbraw/zinc/14/66/55/463146655.db2.gz GQSSVOWHFWYFFB-GVDBMIGSSA-N 0 0 329.375 2.427 40 0 EEABRN COC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2ncn(C)c21 ZINC000096044790 463148862 /nfs/dbraw/zinc/14/88/62/463148862.db2.gz HMLOQYUYESZNTR-AWEZNQCLSA-N 0 0 331.416 2.183 40 0 EEABRN Cc1nc(CN2C[C@]3(CCN(C(=O)c4ccco4)C3)CC2=O)cs1 ZINC000096050921 463154558 /nfs/dbraw/zinc/15/45/58/463154558.db2.gz PUUCFMGBXFELSG-QGZVFWFLSA-N 0 0 345.424 2.309 40 0 EEABRN Cc1nc(CO[C@@H]2CN(Cc3cccnc3)[C@@H]3COC[C@H]23)cs1 ZINC000096055885 463157715 /nfs/dbraw/zinc/15/77/15/463157715.db2.gz YHOUUDFTHBEUDT-GVDBMIGSSA-N 0 0 331.441 2.263 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)n1 ZINC000096057945 463160450 /nfs/dbraw/zinc/16/04/50/463160450.db2.gz KTGJXDFADJVCKB-ZMSDIMECSA-N 0 0 338.473 2.318 40 0 EEABRN NC(=O)C1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000026535153 463165788 /nfs/dbraw/zinc/16/57/88/463165788.db2.gz PQNUMMHAUQIUNZ-UHFFFAOYSA-N 0 0 326.849 2.297 40 0 EEABRN CN(Cc1cccs1)C(=O)c1ccc(OCc2nnnn2C)cc1 ZINC000096101292 463173392 /nfs/dbraw/zinc/17/33/92/463173392.db2.gz BQFWUSYAIWAQRT-UHFFFAOYSA-N 0 0 343.412 2.123 40 0 EEABRN COc1cccc(S(=O)(=O)CCN(C)Cc2csc(C)n2)c1 ZINC000078979771 463174319 /nfs/dbraw/zinc/17/43/19/463174319.db2.gz VIYVFWZAZJSODE-UHFFFAOYSA-N 0 0 340.470 2.366 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2cccs2)n1 ZINC000078985985 463174810 /nfs/dbraw/zinc/17/48/10/463174810.db2.gz RIJVVGDEWIGBJS-MWLCHTKSSA-N 0 0 335.385 2.349 40 0 EEABRN COCCOCCC(=O)N1CCc2ccc(Br)cc21 ZINC000078998166 463177122 /nfs/dbraw/zinc/17/71/22/463177122.db2.gz QWUAOTJRTSHUDQ-UHFFFAOYSA-N 0 0 328.206 2.391 40 0 EEABRN O=C(COc1ccccc1)N1CCOC[C@H](Oc2ccccc2)C1 ZINC000096113185 463180180 /nfs/dbraw/zinc/18/01/80/463180180.db2.gz VQVGHEDPKYQXLF-GOSISDBHSA-N 0 0 327.380 2.372 40 0 biogenic,in-vitro EEABRN CC(C)n1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000079040125 463182655 /nfs/dbraw/zinc/18/26/55/463182655.db2.gz ZGMCABVYHFQADH-KRWDZBQOSA-N 0 0 340.427 2.084 40 0 EEABRN CC(C)CNC(=O)CNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079039998 463182919 /nfs/dbraw/zinc/18/29/19/463182919.db2.gz MQMPAGTZRONSBF-SNVBAGLBSA-N 0 0 330.787 2.135 40 0 EEABRN O=C(c1ccnnc1)N1CCC2(CCN(c3ccccc3)C2=O)CC1 ZINC000096157884 463189132 /nfs/dbraw/zinc/18/91/32/463189132.db2.gz ONRDIHVHPGTCJM-UHFFFAOYSA-N 0 0 336.395 2.136 40 0 EEABRN Cc1nnc(NC(=O)c2nnn(Cc3ccccc3)c2Cl)s1 ZINC000096183286 463194838 /nfs/dbraw/zinc/19/48/38/463194838.db2.gz VORJNNXYPAGAMN-UHFFFAOYSA-N 0 0 334.792 2.392 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@H]2CO[C@@H](CNc3ncccn3)[C@@H]2C1 ZINC000096185533 463197437 /nfs/dbraw/zinc/19/74/37/463197437.db2.gz HWACEVCLKDUWLE-YUELXQCFSA-N 0 0 344.440 2.127 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccco2)cs1 ZINC000096186372 463198098 /nfs/dbraw/zinc/19/80/98/463198098.db2.gz CJYHVTSFPDWEOW-ZIAGYGMSSA-N 0 0 345.424 2.450 40 0 EEABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000096186647 463199147 /nfs/dbraw/zinc/19/91/47/463199147.db2.gz ZRFSFIKAJFMFIO-KBMXLJTQSA-N 0 0 343.420 2.173 40 0 EEABRN O=C(N[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@@H]21)c1cccnc1 ZINC000096186904 463199208 /nfs/dbraw/zinc/19/92/08/463199208.db2.gz SKRBSGTYBRZGQA-GVDBMIGSSA-N 0 0 343.452 2.305 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000079311622 463204888 /nfs/dbraw/zinc/20/48/88/463204888.db2.gz ARWAHZJTPJQCEB-LLVKDONJSA-N 0 0 345.384 2.389 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)N2CCOC[C@@H]2C)s1 ZINC000079310341 463205190 /nfs/dbraw/zinc/20/51/90/463205190.db2.gz KFBGHFLQPKFCRM-UWVGGRQHSA-N 0 0 348.415 2.497 40 0 EEABRN O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c2cccnc12 ZINC000079310247 463205370 /nfs/dbraw/zinc/20/53/70/463205370.db2.gz CNRWDNJHOWRHMM-SNVBAGLBSA-N 0 0 338.816 2.195 40 0 EEABRN Cc1cccn2cc(CC(=O)N3CCN(Cc4ccco4)CC3)nc12 ZINC000079335554 463207429 /nfs/dbraw/zinc/20/74/29/463207429.db2.gz NGVAMDBPMRJQDQ-UHFFFAOYSA-N 0 0 338.411 2.123 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)NCCc2ccc3c(c2)CCO3)n1 ZINC000079349344 463207999 /nfs/dbraw/zinc/20/79/99/463207999.db2.gz UFYDETWWKVAYEC-CQSZACIVSA-N 0 0 342.443 2.365 40 0 EEABRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2cscn2)CC1=O ZINC000079352514 463208274 /nfs/dbraw/zinc/20/82/74/463208274.db2.gz YAAKQOYDXYDIND-ZFWWWQNUSA-N 0 0 343.452 2.412 40 0 EEABRN CC(C)CC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096227441 463222442 /nfs/dbraw/zinc/22/24/42/463222442.db2.gz GSSATVGBFKEMEV-VQIMIIECSA-N 0 0 329.444 2.325 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3[C@@H](CNc4ncccn4)CC[C@@H]32)cs1 ZINC000096250127 463226877 /nfs/dbraw/zinc/22/68/77/463226877.db2.gz FRNRYICBDIWWME-VNQPRFMTSA-N 0 0 345.472 2.333 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)N[C@H](C)Cn1cncn1 ZINC000079603423 463233507 /nfs/dbraw/zinc/23/35/07/463233507.db2.gz KHKHWMWDJHFNNN-SNVBAGLBSA-N 0 0 340.225 2.242 40 0 EEABRN Cc1cc(NC(=O)C2CCN(Cc3nnc(C4CCC4)o3)CC2)no1 ZINC000096410306 463243990 /nfs/dbraw/zinc/24/39/90/463243990.db2.gz AWXUHJUYYLBUAU-UHFFFAOYSA-N 0 0 345.403 2.484 40 0 EEABRN CCOC(=O)CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CCCCC1 ZINC000096412058 463244817 /nfs/dbraw/zinc/24/48/17/463244817.db2.gz OLRXTEKDZNZROG-JKSUJKDBSA-N 0 0 333.432 2.248 40 0 EEABRN NC(=O)[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417564 463249211 /nfs/dbraw/zinc/24/92/11/463249211.db2.gz MXGZOCODQINMMG-CVEARBPZSA-N 0 0 343.814 2.262 40 0 EEABRN O=C(CN(C[C@H](O)c1ccc(F)cc1)C1CC1)Nc1cccnc1 ZINC000096424446 463254557 /nfs/dbraw/zinc/25/45/57/463254557.db2.gz CKCMUEMSWGJWGO-KRWDZBQOSA-N 0 0 329.375 2.357 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000096425323 463254921 /nfs/dbraw/zinc/25/49/21/463254921.db2.gz SCIQULFAEOFNOS-CYBMUJFWSA-N 0 0 348.424 2.157 40 0 EEABRN C[C@@H](Cc1ccsc1)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096439350 463265958 /nfs/dbraw/zinc/26/59/58/463265958.db2.gz FCRKGJQPISGTNP-ZDUSSCGKSA-N 0 0 334.445 2.195 40 0 EEABRN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccncc1Cl ZINC000096441379 463267332 /nfs/dbraw/zinc/26/73/32/463267332.db2.gz DWZFIZVNQOKDHR-ZDUSSCGKSA-N 0 0 331.869 2.029 40 0 EEABRN C[C@@H](C(=O)NCCCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096445214 463270054 /nfs/dbraw/zinc/27/00/54/463270054.db2.gz DKKDRDOHIRDOMO-VIFPVBQESA-N 0 0 338.256 2.475 40 0 EEABRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000096446554 463270755 /nfs/dbraw/zinc/27/07/55/463270755.db2.gz LGVLEYYDPZSKEV-QLJPJBMISA-N 0 0 348.399 2.136 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@]3(O)CCSC3)cc2)n1 ZINC000096446896 463271013 /nfs/dbraw/zinc/27/10/13/463271013.db2.gz LFWXYDSRYMLIDI-KRWDZBQOSA-N 0 0 331.441 2.087 40 0 EEABRN Cc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC000096449115 463271832 /nfs/dbraw/zinc/27/18/32/463271832.db2.gz FSBAGFWUXXNUKI-UHFFFAOYSA-N 0 0 344.333 2.231 40 0 EEABRN Cn1ccc(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000096448378 463271973 /nfs/dbraw/zinc/27/19/73/463271973.db2.gz RFPOZUDOXPHHMZ-AWEZNQCLSA-N 0 0 334.370 2.381 40 0 EEABRN Cn1c(C(=O)N[C@H]2CC[S@@](=O)C2)cc2cc(C(F)(F)F)ccc21 ZINC000096449908 463272172 /nfs/dbraw/zinc/27/21/72/463272172.db2.gz PTYYMBJWCOZVSU-RULNZOCKSA-N 0 0 344.358 2.448 40 0 EEABRN O=C(COCc1ccccc1)NC1(C(=O)NCC2CC2)CCCC1 ZINC000096454627 463274441 /nfs/dbraw/zinc/27/44/41/463274441.db2.gz XPRWVWNNPIFUJC-UHFFFAOYSA-N 0 0 330.428 2.158 40 0 EEABRN Cn1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)ccc1=O ZINC000096456469 463275086 /nfs/dbraw/zinc/27/50/86/463275086.db2.gz RAKBWVNRBRQSHX-GOSISDBHSA-N 0 0 340.423 2.249 40 0 EEABRN CCOCCNC(=O)c1ccc(OC)cc1I ZINC000096471907 463278930 /nfs/dbraw/zinc/27/89/30/463278930.db2.gz RAOCVTBTOVDYBY-UHFFFAOYSA-N 0 0 349.168 2.066 40 0 EEABRN COC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000096500253 463290198 /nfs/dbraw/zinc/29/01/98/463290198.db2.gz ADSFPKAIRFXYDG-HUUCEWRRSA-N 0 0 348.418 2.372 40 0 EEABRN CC(C)N1CC[C@H](NC(=O)NCCCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499877 463290392 /nfs/dbraw/zinc/29/03/92/463290392.db2.gz ALZWXRJKDRSPCM-HOTGVXAUSA-N 0 0 341.402 2.170 40 0 EEABRN C[C@H](c1ccsc1)N1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000096503108 463292935 /nfs/dbraw/zinc/29/29/35/463292935.db2.gz KDAKVUXMYPJRCJ-OAHLLOKOSA-N 0 0 347.488 2.423 40 0 EEABRN CC[C@](Br)([C@@H](O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096521591 463293761 /nfs/dbraw/zinc/29/37/61/463293761.db2.gz CRMOLTFIFJKDMV-NWDGAFQWSA-N 0 0 337.235 2.274 40 0 EEABRN C[C@](O)(Cc1ccccc1)C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000097228101 463349916 /nfs/dbraw/zinc/34/99/16/463349916.db2.gz KBMDMYOOQPMTHG-WMZOPIPTSA-N 0 0 333.815 2.483 40 0 EEABRN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCc1cnn(C)c1 ZINC000080729449 463350904 /nfs/dbraw/zinc/35/09/04/463350904.db2.gz WCZPPDTYWDYQPU-UHFFFAOYSA-N 0 0 333.335 2.226 40 0 EEABRN Cc1cc(CC(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)no1 ZINC000081301462 463417304 /nfs/dbraw/zinc/41/73/04/463417304.db2.gz NGYZDTCCVYNXRN-OAHLLOKOSA-N 0 0 333.432 2.023 40 0 EEABRN COc1ccc(NC(=S)NCCCN2CCOCC2)cc1Cl ZINC000038234504 463446474 /nfs/dbraw/zinc/44/64/74/463446474.db2.gz NZBBGDIILGCPQV-UHFFFAOYSA-N 0 0 343.880 2.357 40 0 EEABRN COC(=O)[C@H](CNC(=O)Nc1cc(C)on1)Cc1ccc(F)cc1 ZINC000058005199 463535545 /nfs/dbraw/zinc/53/55/45/463535545.db2.gz ZSDNITHIKSGDLQ-LBPRGKRZSA-N 0 0 335.335 2.276 40 0 EEABRN COc1cccc(NC(=O)N2CCN(C(=O)CC(F)(F)F)CC2)c1 ZINC000058213239 463553159 /nfs/dbraw/zinc/55/31/59/463553159.db2.gz ZPHVYFFKEAIWRR-UHFFFAOYSA-N 0 0 345.321 2.324 40 0 EEABRN CC(C)Oc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1 ZINC000042646775 463582827 /nfs/dbraw/zinc/58/28/27/463582827.db2.gz QTNAYSKSVVDUCT-UHFFFAOYSA-N 0 0 327.384 2.166 40 0 EEABRN Cc1cc(C)cc(OC[C@@H](O)Cn2c3ccccc3n(C)c2=O)c1 ZINC000058647962 463615570 /nfs/dbraw/zinc/61/55/70/463615570.db2.gz QWHKFBIAXNKABX-HNNXBMFYSA-N 0 0 326.396 2.397 40 0 EEABRN CN1N=C(C(=O)NCCc2csc(-c3ccccc3)n2)CCC1=O ZINC000084839992 463635224 /nfs/dbraw/zinc/63/52/24/463635224.db2.gz YSKWAXPQWLOFFI-UHFFFAOYSA-N 0 0 342.424 2.077 40 0 EEABRN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000084921874 463637070 /nfs/dbraw/zinc/63/70/70/463637070.db2.gz GOYYBNLIBSNZBV-CYBMUJFWSA-N 0 0 339.424 2.459 40 0 EEABRN O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCOCC1 ZINC000044891388 463698466 /nfs/dbraw/zinc/69/84/66/463698466.db2.gz VABXRRQPSDPQMC-UHFFFAOYSA-N 0 0 337.379 2.386 40 0 EEABRN CC(=O)N1CCC(NC(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000044892102 463698981 /nfs/dbraw/zinc/69/89/81/463698981.db2.gz ZIXNFVZUGAKVDD-UHFFFAOYSA-N 0 0 343.431 2.061 40 0 EEABRN COC(=O)C[C@]1(C(F)(F)F)CN(C(=O)OC(C)(C)C)CCO1 ZINC000256051335 463755246 /nfs/dbraw/zinc/75/52/46/463755246.db2.gz ISWBWFIRLFKDJP-GFCCVEGCSA-N 0 0 327.299 2.118 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)C[C@@H]2c2ccccc2OC)cn1 ZINC000257290196 463765065 /nfs/dbraw/zinc/76/50/65/463765065.db2.gz QBYUMUXZLKUUKM-GOSISDBHSA-N 0 0 342.443 2.317 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(Cc3ncccc3C)CCN2C)c1 ZINC000257292938 463766473 /nfs/dbraw/zinc/76/64/73/463766473.db2.gz QNNNMOPHTBXVNO-IBGZPJMESA-N 0 0 338.455 2.238 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 ZINC000257295826 463767409 /nfs/dbraw/zinc/76/74/09/463767409.db2.gz RABFLLZPHSEIST-HOCLYGCPSA-N 0 0 345.399 2.039 40 0 EEABRN c1c[nH]c(CN2CCC[C@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303281 463770161 /nfs/dbraw/zinc/77/01/61/463770161.db2.gz SGNSKOYJWPTHDA-ZDUSSCGKSA-N 0 0 336.403 2.113 40 0 EEABRN CNc1cncc([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000257305443 463770684 /nfs/dbraw/zinc/77/06/84/463770684.db2.gz SPZPOONKQHSRCH-INIZCTEOSA-N 0 0 346.456 2.259 40 0 EEABRN CC(C)(C(=O)N1CCO[C@@H](c2cnccn2)C1)c1ccccc1F ZINC000257310736 463773830 /nfs/dbraw/zinc/77/38/30/463773830.db2.gz UGHKYFIEGITXID-MRXNPFEDSA-N 0 0 329.375 2.493 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)c1 ZINC000257316890 463774384 /nfs/dbraw/zinc/77/43/84/463774384.db2.gz VHLVRXWGHHFDBC-GOSISDBHSA-N 0 0 341.411 2.454 40 0 EEABRN Cc1ncc(CN2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 ZINC000257323379 463777831 /nfs/dbraw/zinc/77/78/31/463777831.db2.gz WJXQTZLYCCMURI-QZTJIDSGSA-N 0 0 331.391 2.328 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccsc2)n1 ZINC000257338306 463784213 /nfs/dbraw/zinc/78/42/13/463784213.db2.gz YWVCREFVJWZBGG-HNNXBMFYSA-N 0 0 330.413 2.152 40 0 EEABRN CCOCC(=O)N1CCC2(C[C@H](N(C)c3ccccc3)CO2)CC1 ZINC000257337238 463784817 /nfs/dbraw/zinc/78/48/17/463784817.db2.gz YRZJUYIFRPSYHB-KRWDZBQOSA-N 0 0 332.444 2.309 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)ccn1 ZINC000257339448 463786608 /nfs/dbraw/zinc/78/66/08/463786608.db2.gz ZBULUVXCKPFOGB-HNNXBMFYSA-N 0 0 336.399 2.232 40 0 EEABRN Cc1cc(C)n2nc(S(=O)(=O)CCCc3ccccc3)nc2n1 ZINC000195091461 463989224 /nfs/dbraw/zinc/98/92/24/463989224.db2.gz MGLLGFPZHNNKTO-UHFFFAOYSA-N 0 0 330.413 2.148 40 0 EEABRN C[C@H](NC(=O)N1CCC[C@@H](OCCO)C1)c1cccc(F)c1F ZINC000186501637 464012662 /nfs/dbraw/zinc/01/26/62/464012662.db2.gz AXSSGWYRBGJDLG-NWDGAFQWSA-N 0 0 328.359 2.209 40 0 EEABRN Cc1cccc(CCNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000195199766 464015996 /nfs/dbraw/zinc/01/59/96/464015996.db2.gz LHIXHBHIUJNOLZ-UHFFFAOYSA-N 0 0 346.452 2.218 40 0 EEABRN COC(C)(C)CC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000279154209 464046774 /nfs/dbraw/zinc/04/67/74/464046774.db2.gz JQKVZKFXHVEOGW-GFCCVEGCSA-N 0 0 325.430 2.363 40 0 EEABRN CCc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)on1 ZINC000195535569 464072907 /nfs/dbraw/zinc/07/29/07/464072907.db2.gz OXNXVXPSQFPFTH-OQQHHNTDSA-N 0 0 327.450 2.116 40 0 EEABRN CO[C@H](C(=O)N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000195556690 464075767 /nfs/dbraw/zinc/07/57/67/464075767.db2.gz GIOYGLGATWBIDT-SJORKVTESA-N 0 0 326.396 2.320 40 0 EEABRN Cc1ccc(F)cc1C[NH2+]CC1(CS(C)(=O)=O)CCOCC1 ZINC000195552892 464076102 /nfs/dbraw/zinc/07/61/02/464076102.db2.gz NJMUKEYKHFKIBP-UHFFFAOYSA-N 0 0 329.437 2.065 40 0 EEABRN Cc1ccc(CS(=O)(=O)NCc2nnc(C(C)C)n2C)cc1F ZINC000195571835 464078650 /nfs/dbraw/zinc/07/86/50/464078650.db2.gz ITHAPZQKOSWSME-UHFFFAOYSA-N 0 0 340.424 2.006 40 0 EEABRN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222939542 464135040 /nfs/dbraw/zinc/13/50/40/464135040.db2.gz DBPBJVURGQSJJE-LBPRGKRZSA-N 0 0 342.461 2.155 40 0 EEABRN CCc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NC)cc1 ZINC000223275391 464139544 /nfs/dbraw/zinc/13/95/44/464139544.db2.gz PJGVDPDWCXTLSE-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 ZINC000223706847 464147127 /nfs/dbraw/zinc/14/71/27/464147127.db2.gz KDXJKDPUOFQUDM-JKSUJKDBSA-N 0 0 344.440 2.254 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224065461 464148098 /nfs/dbraw/zinc/14/80/98/464148098.db2.gz LMRYBYDHYJWBEA-UHFFFAOYSA-N 0 0 342.461 2.110 40 0 EEABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCOc1ccccc1 ZINC000224075997 464148805 /nfs/dbraw/zinc/14/88/05/464148805.db2.gz UHIOIAAQZMTQOC-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC[C@H]1C ZINC000187683791 464149756 /nfs/dbraw/zinc/14/97/56/464149756.db2.gz OFXAQSVELNXKOC-JKIFEVAISA-N 0 0 343.431 2.395 40 0 EEABRN CN(C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 ZINC000224230305 464150171 /nfs/dbraw/zinc/15/01/71/464150171.db2.gz ZTXWSWMAFQADAI-INIZCTEOSA-N 0 0 332.425 2.282 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225462687 464162143 /nfs/dbraw/zinc/16/21/43/464162143.db2.gz GKILAAHNVCUSOO-CQSZACIVSA-N 0 0 330.388 2.002 40 0 EEABRN O=C([C@H]1CCCc2cccnc21)N1CCO[C@H](COCC2CC2)C1 ZINC000225523595 464169800 /nfs/dbraw/zinc/16/98/00/464169800.db2.gz YNQMTIADUZGAJN-IRXDYDNUSA-N 0 0 330.428 2.156 40 0 EEABRN NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)n[nH]1 ZINC000225554836 464170993 /nfs/dbraw/zinc/17/09/93/464170993.db2.gz OBYCQUZZCJSPGO-HNNXBMFYSA-N 0 0 346.818 2.458 40 0 EEABRN Cn1nccc1CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000225799905 464181810 /nfs/dbraw/zinc/18/18/10/464181810.db2.gz CYINMHSMBZQJRT-MRXNPFEDSA-N 0 0 332.791 2.273 40 0 EEABRN C[C@H]1CN(CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231681 464230701 /nfs/dbraw/zinc/23/07/01/464230701.db2.gz UYNSOJGTBFUURG-LBPRGKRZSA-N 0 0 336.436 2.434 40 0 EEABRN COc1cccc(N2CCC[C@@H](NS(=O)(=O)c3ccco3)C2)c1 ZINC000188696620 464345750 /nfs/dbraw/zinc/34/57/50/464345750.db2.gz VRBAIWPGFNIHKC-CYBMUJFWSA-N 0 0 336.413 2.236 40 0 EEABRN CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(=O)Nc1nccs1 ZINC000240225391 464445166 /nfs/dbraw/zinc/44/51/66/464445166.db2.gz DHOCUXHDXFFHBZ-MROQNXINSA-N 0 0 339.461 2.426 40 0 EEABRN Cc1csc(=O)n1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245289885 464470061 /nfs/dbraw/zinc/47/00/61/464470061.db2.gz FWOSHSIGYGJUKK-MRVWCRGKSA-N 0 0 325.430 2.355 40 0 EEABRN Cc1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245580558 464496649 /nfs/dbraw/zinc/49/66/49/464496649.db2.gz ITENLHAOKPZPRN-HOTGVXAUSA-N 0 0 345.468 2.064 40 0 EEABRN c1ccc(COCC[C@H]2CCOC3(CN(c4ncccn4)C3)C2)nc1 ZINC000247824435 464708108 /nfs/dbraw/zinc/70/81/08/464708108.db2.gz FFSALOUCBLPUNF-INIZCTEOSA-N 0 0 340.427 2.464 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)s1 ZINC000248045918 464725403 /nfs/dbraw/zinc/72/54/03/464725403.db2.gz VMIHDKFFJZQQPA-CQSZACIVSA-N 0 0 339.461 2.028 40 0 EEABRN COC(=O)[C@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@@H]1C ZINC000190952881 464750175 /nfs/dbraw/zinc/75/01/75/464750175.db2.gz NUNZBGYLEBETRT-FZMZJTMJSA-N 0 0 340.370 2.348 40 0 EEABRN CO[C@@H]1CC[C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191424530 464815327 /nfs/dbraw/zinc/81/53/27/464815327.db2.gz WKKRTPYYEFIKNL-JKSUJKDBSA-N 0 0 332.448 2.226 40 0 EEABRN O=C(NCC(F)(F)C(F)F)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000192015474 464849470 /nfs/dbraw/zinc/84/94/70/464849470.db2.gz ULAWXKCXPXZSTP-JTQLQIEISA-N 0 0 348.296 2.013 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)cn1 ZINC000249692705 464904137 /nfs/dbraw/zinc/90/41/37/464904137.db2.gz MWKUIFSLRSZUTA-SFHVURJKSA-N 0 0 342.443 2.248 40 0 EEABRN COc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2ncon2)c1C ZINC000192567736 464948822 /nfs/dbraw/zinc/94/88/22/464948822.db2.gz NQICCYVFUHSDDQ-JTQLQIEISA-N 0 0 327.344 2.063 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@H]3CCCC[C@H]3C)c2C)no1 ZINC000252478397 464958548 /nfs/dbraw/zinc/95/85/48/464958548.db2.gz ALEMYBKHVILHSE-SKDRFNHKSA-N 0 0 333.396 2.026 40 0 EEABRN CN(CCCO)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000252478882 464958653 /nfs/dbraw/zinc/95/86/53/464958653.db2.gz AWTOUPDSOVZJTM-GFCCVEGCSA-N 0 0 345.365 2.308 40 0 EEABRN CN1c2ccc(S(=O)(=O)NCc3ccco3)cc2CCCC1=O ZINC000252485957 464963869 /nfs/dbraw/zinc/96/38/69/464963869.db2.gz HFXAMTVCKPGZAK-UHFFFAOYSA-N 0 0 334.397 2.057 40 0 EEABRN COC(=O)c1ccc(N2CCN(Cc3cnoc3C)[C@H](C)C2)cc1 ZINC000253369404 464993758 /nfs/dbraw/zinc/99/37/58/464993758.db2.gz CDPYBRBFELJUGE-CYBMUJFWSA-N 0 0 329.400 2.480 40 0 EEABRN CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000253371020 464994860 /nfs/dbraw/zinc/99/48/60/464994860.db2.gz ZNWWEFMIIBFRFK-CGTJXYLNSA-N 0 0 334.460 2.497 40 0 EEABRN COc1ccccc1N1CC[C@H](N[C@@H](CCO)c2ccco2)C1=O ZINC000192787960 464997637 /nfs/dbraw/zinc/99/76/37/464997637.db2.gz TYWQRNMIBUFBKH-KBPBESRZSA-N 0 0 330.384 2.107 40 0 EEABRN NS(=O)(=O)c1cnc(N2CCC[C@H]2/C=C/c2ccccc2)s1 ZINC000253425919 465010293 /nfs/dbraw/zinc/01/02/93/465010293.db2.gz UQSPTOYLDVKLFH-XEHSLEBBSA-N 0 0 335.454 2.473 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CS3)no1 ZINC000253477018 465016318 /nfs/dbraw/zinc/01/63/18/465016318.db2.gz CLUAQYNSINMECE-ZDUSSCGKSA-N 0 0 331.397 2.157 40 0 EEABRN CC[C@@]1(C)COCCN1C(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000330627550 465737197 /nfs/dbraw/zinc/73/71/97/465737197.db2.gz KIHBMTJQSIVEHH-INIZCTEOSA-N 0 0 325.430 2.040 40 0 EEABRN Cc1ccc(Cc2nnn(Cc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000340592863 466193385 /nfs/dbraw/zinc/19/33/85/466193385.db2.gz BECQNVJJNOCAOP-UHFFFAOYSA-N 0 0 342.424 2.024 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000306125236 466486607 /nfs/dbraw/zinc/48/66/07/466486607.db2.gz CKAMNZRTRKEZRO-OAHLLOKOSA-N 0 0 340.379 2.097 40 0 EEABRN Cn1nccc1C(=O)N1C[C@@H]2Cc3ncc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306137338 466490931 /nfs/dbraw/zinc/49/09/31/466490931.db2.gz QTQICQDLPNSULB-HOTGVXAUSA-N 0 0 347.422 2.228 40 0 EEABRN Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(C)c(C)c1 ZINC000409089965 466685933 /nfs/dbraw/zinc/68/59/33/466685933.db2.gz PLUATUUPEGMPCC-UHFFFAOYSA-N 0 0 346.456 2.143 40 0 EEABRN CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc(OC)cc2)N1 ZINC000409356495 466686447 /nfs/dbraw/zinc/68/64/47/466686447.db2.gz HCDAYBXNRRPOKX-CQSZACIVSA-N 0 0 346.305 2.323 40 0 EEABRN CNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409357710 466687103 /nfs/dbraw/zinc/68/71/03/466687103.db2.gz JNYUFAVOALYGOO-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000409380265 466687561 /nfs/dbraw/zinc/68/75/61/466687561.db2.gz ATLQQULWZJTXQT-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000390827959 467412524 /nfs/dbraw/zinc/41/25/24/467412524.db2.gz MMRRTJAMODEOEP-INIZCTEOSA-N 0 0 347.440 2.077 40 0 EEABRN COc1ccc(CNC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000390830975 467413522 /nfs/dbraw/zinc/41/35/22/467413522.db2.gz OSEGIXZTOIYCMB-OAHLLOKOSA-N 0 0 341.415 2.321 40 0 EEABRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Cn1nnc2ccccc21 ZINC000390833394 467413859 /nfs/dbraw/zinc/41/38/59/467413859.db2.gz GVKBEIONQIEMHY-XIKOKIGWSA-N 0 0 342.374 2.463 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000575404107 468141428 /nfs/dbraw/zinc/14/14/28/468141428.db2.gz PVBBLOLKIIJQRO-CQSZACIVSA-N 0 0 338.498 2.356 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)n1 ZINC000575405957 468142735 /nfs/dbraw/zinc/14/27/35/468142735.db2.gz VVRCLMCIPSEBFP-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN Cc1noc(CCCNC(=O)N2CCC(c3nccs3)CC2)n1 ZINC000589781546 468184222 /nfs/dbraw/zinc/18/42/22/468184222.db2.gz PTNYYNHLQXPENE-UHFFFAOYSA-N 0 0 335.433 2.356 40 0 EEABRN C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)CC1CC1 ZINC000585096232 468964119 /nfs/dbraw/zinc/96/41/19/468964119.db2.gz CCBGQHJUBZLKEF-GFCCVEGCSA-N 0 0 342.399 2.109 40 0 EEABRN Cc1cc(CN2CCn3c(COc4ccccn4)nnc3[C@@H]2C)no1 ZINC000585097381 468965618 /nfs/dbraw/zinc/96/56/18/468965618.db2.gz KNMKNBOGRBLOAJ-ZDUSSCGKSA-N 0 0 340.387 2.125 40 0 EEABRN O=C(NCC[C@H]1CCOC12CN(Cc1ccco1)C2)N1CCCC1 ZINC000585103042 468970824 /nfs/dbraw/zinc/97/08/24/468970824.db2.gz OMVAKXJNHQYBHN-HNNXBMFYSA-N 0 0 333.432 2.066 40 0 EEABRN CN1Cc2ccccc2CC2(CCN(C(=O)OCCF)CC2)C1=O ZINC000585105671 468971554 /nfs/dbraw/zinc/97/15/54/468971554.db2.gz AQPVQCPPXHTTPP-UHFFFAOYSA-N 0 0 334.391 2.389 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111356 468975089 /nfs/dbraw/zinc/97/50/89/468975089.db2.gz QGWAYBNFXZBUBW-JQWIXIFHSA-N 0 0 335.358 2.182 40 0 EEABRN COCCN(C(=O)Nc1ccncn1)c1ccc(OC)c(OC)c1 ZINC000585140392 468989197 /nfs/dbraw/zinc/98/91/97/468989197.db2.gz CVVHIXQRAVAZSN-UHFFFAOYSA-N 0 0 332.360 2.179 40 0 EEABRN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)OCC1CCCCC1 ZINC000585141656 468991373 /nfs/dbraw/zinc/99/13/73/468991373.db2.gz FAFZJVMKBWVGIS-CZUORRHYSA-N 0 0 334.420 2.046 40 0 EEABRN Cc1cc(N2CC[C@H](Cc3cc(-c4nccn4C)ncn3)C2)ncn1 ZINC000585178880 468994318 /nfs/dbraw/zinc/99/43/18/468994318.db2.gz XROVWZHFQOHLQX-CQSZACIVSA-N 0 0 335.415 2.045 40 0 EEABRN CC(=O)Nc1ncc(-c2cnc([C@H]3CCCN(C(C)=O)C3)cn2)s1 ZINC000585260992 468995785 /nfs/dbraw/zinc/99/57/85/468995785.db2.gz LQNULXUVNJPAKD-LBPRGKRZSA-N 0 0 345.428 2.284 40 0 EEABRN Cn1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)cn1 ZINC000585268836 468996345 /nfs/dbraw/zinc/99/63/45/468996345.db2.gz APRRIOGVEFCZBR-HOTGVXAUSA-N 0 0 333.819 2.282 40 0 EEABRN CCCn1nccc1C(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585277019 469001692 /nfs/dbraw/zinc/00/16/92/469001692.db2.gz RLGDQLWUOBLZJT-CRAIPNDOSA-N 0 0 345.418 2.498 40 0 EEABRN CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2nccn2C)C1 ZINC000585277882 469003864 /nfs/dbraw/zinc/00/38/64/469003864.db2.gz QPOXEPQYZLHYRB-SFHVURJKSA-N 0 0 329.400 2.039 40 0 EEABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)C1CCC(F)(F)CC1 ZINC000585279636 469006192 /nfs/dbraw/zinc/00/61/92/469006192.db2.gz WMPKPCNCBIRPNP-KBPBESRZSA-N 0 0 346.418 2.344 40 0 EEABRN O=C(NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)C1CCOCC1 ZINC000585286411 469009588 /nfs/dbraw/zinc/00/95/88/469009588.db2.gz XZPFJPUGEPPALO-KBAYOESNSA-N 0 0 333.428 2.138 40 0 EEABRN C[C@@]1(C(F)F)CN(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CCO1 ZINC000664917613 471898092 /nfs/dbraw/zinc/89/80/92/471898092.db2.gz WPHSEMKKCMBPNZ-LRDDRELGSA-N 0 0 344.333 2.195 40 0 EEABRN O=C(NCCc1ccccc1OC(F)F)N[C@@H]1CCCC[C@H]1O ZINC000190246406 534482576 /nfs/dbraw/zinc/48/25/76/534482576.db2.gz FYMQRXIIABAKLR-CHWSQXEVSA-N 0 0 328.359 2.433 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1N1CCCC1=O ZINC000225213304 536877121 /nfs/dbraw/zinc/87/71/21/536877121.db2.gz ZQKFVSGRCGISHK-LBPRGKRZSA-N 0 0 340.445 2.145 40 0 EEABRN CC(C)Oc1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)ccn1 ZINC000930992014 1206598013 /nfs/dbraw/zinc/59/80/13/1206598013.db2.gz WGKCBBMODSGKLS-OAHLLOKOSA-N 0 0 349.431 2.407 40 0 EEABRN Cc1c(OCCCO)ccnc1C[S@](=O)c1nc2ccccc2[nH]1 ZINC000040435343 1352473070 /nfs/dbraw/zinc/47/30/70/1352473070.db2.gz OBQCUJTXRBUDMO-XMMPIXPASA-N 0 0 345.424 2.335 40 0 EEABRN COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C)cc1)C[C@@H]2O ZINC000069593798 1354148724 /nfs/dbraw/zinc/14/87/24/1354148724.db2.gz YVVOTUKACXVKMJ-SFHVURJKSA-N 0 0 347.436 2.284 40 0 EEABRN Cn1nccc1CN1CCC2(CC(=O)N(Cc3ccccc3)O2)CC1 ZINC001549160718 1121133894 /nfs/dbraw/zinc/13/38/94/1121133894.db2.gz AYUJVSKHPFETHU-UHFFFAOYSA-N 0 0 340.427 2.119 40 0 EEABRN COc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000004280019 210159721 /nfs/dbraw/zinc/15/97/21/210159721.db2.gz HELYWAMYLMTCOD-MRXNPFEDSA-N 0 0 328.368 2.267 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC ZINC000008475986 201750137 /nfs/dbraw/zinc/75/01/37/201750137.db2.gz VLBBACQXRFLDKN-LBPRGKRZSA-N 0 0 348.424 2.094 40 0 EEABRN CN(C)c1ccc(C(=O)N2CCC(O)(c3ccccn3)CC2)cc1 ZINC000012114525 201825536 /nfs/dbraw/zinc/82/55/36/201825536.db2.gz FYPBFLVGLFRFAI-UHFFFAOYSA-N 0 0 325.412 2.271 40 0 EEABRN CCn1c2cc(C)sc2c2cnn(CC(=O)NC3CC3)c(=O)c21 ZINC000012156867 201829915 /nfs/dbraw/zinc/82/99/15/201829915.db2.gz QIOUDQOZOWIXGT-UHFFFAOYSA-N 0 0 330.413 2.020 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1O2 ZINC000012183840 201830528 /nfs/dbraw/zinc/83/05/28/201830528.db2.gz ZTNCTMXTMYJZFB-KRWDZBQOSA-N 0 0 343.408 2.206 40 0 EEABRN O=C(CCn1cnnn1)N1CCC(CCc2ccccc2F)CC1 ZINC000019348680 202005770 /nfs/dbraw/zinc/00/57/70/202005770.db2.gz NDVCDQWLYGSCNY-UHFFFAOYSA-N 0 0 331.395 2.074 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)no1 ZINC000019522639 202009879 /nfs/dbraw/zinc/00/98/79/202009879.db2.gz HOGLUNYYQNIYBN-CQSZACIVSA-N 0 0 330.388 2.168 40 0 EEABRN Cc1nnn(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)COC2=O ZINC000019554701 202011752 /nfs/dbraw/zinc/01/17/52/202011752.db2.gz RVHILSPMDTUHBF-UHFFFAOYSA-N 0 0 334.335 2.498 40 0 EEABRN CC(=O)O[C@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1OC(C)=O ZINC000022056574 202078899 /nfs/dbraw/zinc/07/88/99/202078899.db2.gz CEEWHAMHKUWUMK-HOTGVXAUSA-N 0 0 335.356 2.240 40 0 in-vitro EEABRN Cc1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230481 202081663 /nfs/dbraw/zinc/08/16/63/202081663.db2.gz SFBBFNWOTJSGKN-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000022606511 202087502 /nfs/dbraw/zinc/08/75/02/202087502.db2.gz NCRJLGKDXLNFHD-UHFFFAOYSA-N 0 0 345.635 2.477 40 0 EEABRN O=C(NCc1ccc(Cl)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000187656220 236269801 /nfs/dbraw/zinc/26/98/01/236269801.db2.gz YGSXBKNYOFIPHE-CQSZACIVSA-N 0 0 341.814 2.095 40 0 EEABRN Cc1noc(C)c1N(C)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000095414391 237051591 /nfs/dbraw/zinc/05/15/91/237051591.db2.gz HKRBFCNKVZQBSF-HSZRJFAPSA-N 0 0 335.429 2.386 40 0 EEABRN Cc1nnc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)s1 ZINC000036635250 202327772 /nfs/dbraw/zinc/32/77/72/202327772.db2.gz NSRHYDMFZXDQCH-JTQLQIEISA-N 0 0 348.409 2.444 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)n1 ZINC000072241606 202358548 /nfs/dbraw/zinc/35/85/48/202358548.db2.gz HPKNTKRNRKRINP-DLBZAZTESA-N 0 0 343.358 2.066 40 0 EEABRN CCC[C@@H](NC(=O)c1cnn2ccc(C)nc12)c1nnc2ccccn21 ZINC000074543910 202373101 /nfs/dbraw/zinc/37/31/01/202373101.db2.gz JVVGWTVQQKBPRM-CQSZACIVSA-N 0 0 349.398 2.352 40 0 EEABRN COCCNC(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1 ZINC000075164188 202377374 /nfs/dbraw/zinc/37/73/74/202377374.db2.gz JUKOSHWBRGRDJL-UHFFFAOYSA-N 0 0 345.403 2.237 40 0 EEABRN CS(=O)(=O)Cc1nc(CN2CCC(C(F)(F)F)CC2)cs1 ZINC000075969207 202379505 /nfs/dbraw/zinc/37/95/05/202379505.db2.gz LRVPMEBMIHYGHI-UHFFFAOYSA-N 0 0 342.408 2.462 40 0 EEABRN CN(Cc1nccn1Cc1ccccc1)Cc1cc(=O)c(O)co1 ZINC000075915310 202379659 /nfs/dbraw/zinc/37/96/59/202379659.db2.gz JPJAYESFKMMCIX-UHFFFAOYSA-N 0 0 325.368 2.222 40 0 EEABRN Cc1ccc([C@@H]2CCCN2Cc2nc(CS(C)(=O)=O)no2)s1 ZINC000075745150 202382824 /nfs/dbraw/zinc/38/28/24/202382824.db2.gz CDAYKBSCQTZXFN-NSHDSACASA-N 0 0 341.458 2.321 40 0 EEABRN CN(c1ccc(Br)cc1F)S(=O)(=O)N1CCCC1 ZINC000078239574 202395823 /nfs/dbraw/zinc/39/58/23/202395823.db2.gz XBPFCNIKKMDNIZ-UHFFFAOYSA-N 0 0 337.214 2.365 40 0 EEABRN Cc1csc(=O)n1CCC(=O)NCCOc1ccc(F)c(F)c1 ZINC000078606966 202397372 /nfs/dbraw/zinc/39/73/72/202397372.db2.gz CZYLNPAOXQPNIS-UHFFFAOYSA-N 0 0 342.367 2.082 40 0 EEABRN CC1(C(=O)OC[C@@H]2CN(Cc3ccccc3)CCO2)CCOCC1 ZINC000078554370 202397669 /nfs/dbraw/zinc/39/76/69/202397669.db2.gz UXHGOCWCZQQYFO-KRWDZBQOSA-N 0 0 333.428 2.247 40 0 EEABRN C[C@H](c1ccccn1)N(C)C(=O)NCCn1c2ccccc2oc1=O ZINC000078605118 202397800 /nfs/dbraw/zinc/39/78/00/202397800.db2.gz ZFAOBZXVADKQIF-CYBMUJFWSA-N 0 0 340.383 2.392 40 0 EEABRN COCC(=O)Nc1cccc(NC(=O)Cn2ncc3ccccc32)c1 ZINC000078614353 202398834 /nfs/dbraw/zinc/39/88/34/202398834.db2.gz CAMKKVJGLJLXCH-UHFFFAOYSA-N 0 0 338.367 2.260 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000076377386 202387527 /nfs/dbraw/zinc/38/75/27/202387527.db2.gz NWBQEIWKLPHXSN-MATWNZDUSA-N 0 0 325.405 2.311 40 0 EEABRN COC(=O)c1occc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000076182981 202387962 /nfs/dbraw/zinc/38/79/62/202387962.db2.gz UEZYLDLUZIYXPF-UHFFFAOYSA-N 0 0 338.367 2.341 40 0 EEABRN CCC(CC)CNC(=O)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000077758340 202393597 /nfs/dbraw/zinc/39/35/97/202393597.db2.gz UDAKORCBEMJONE-UHFFFAOYSA-N 0 0 328.416 2.422 40 0 EEABRN CC(=O)Nc1cc(C(=O)NCC[S@@](=O)c2ccccc2)ccc1F ZINC000078914635 202410098 /nfs/dbraw/zinc/41/00/98/202410098.db2.gz ULXVHLYUWVLCFR-DEOSSOPVSA-N 0 0 348.399 2.322 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000078985882 202414010 /nfs/dbraw/zinc/41/40/10/202414010.db2.gz YUGODOKBCDYIBO-GWCFXTLKSA-N 0 0 349.412 2.277 40 0 EEABRN Cc1nc(-c2cc(C(=O)NCc3nncn3C3CC3)n(C)c2)cs1 ZINC000079352465 202431254 /nfs/dbraw/zinc/43/12/54/202431254.db2.gz REPUUGVOCQJVGA-UHFFFAOYSA-N 0 0 342.428 2.313 40 0 EEABRN Cn1nc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)ccc1=O ZINC000081289126 202476103 /nfs/dbraw/zinc/47/61/03/202476103.db2.gz JZECVVFIHIJYFN-CYBMUJFWSA-N 0 0 329.425 2.035 40 0 EEABRN COc1cc(-n2c(=O)c3ccccc3[nH]c2=NN)c(OC)cc1Cl ZINC000408712740 238297209 /nfs/dbraw/zinc/29/72/09/238297209.db2.gz MIPURBRTGTVGRW-UHFFFAOYSA-N 0 0 346.774 2.342 40 0 EEABRN Cc1ccc(NC(=O)CN2CCN(Cc3ccon3)CC2)c(Cl)c1 ZINC000072723230 216300217 /nfs/dbraw/zinc/30/02/17/216300217.db2.gz SGQLGGORWGLJGI-UHFFFAOYSA-N 0 0 348.834 2.393 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)[nH]n1 ZINC000161863347 201391514 /nfs/dbraw/zinc/39/15/14/201391514.db2.gz CGAASGSBJLOWSV-LBPRGKRZSA-N 0 0 343.431 2.481 40 0 EEABRN C[C@H](O)CCN(C)C(=O)Nc1cccc(Cn2ccccc2=O)c1 ZINC000085581609 202623542 /nfs/dbraw/zinc/62/35/42/202623542.db2.gz OHRMKAASJFWDJD-AWEZNQCLSA-N 0 0 329.400 2.131 40 0 EEABRN CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000085294863 202614009 /nfs/dbraw/zinc/61/40/09/202614009.db2.gz SUPLSGFFDVXDHK-RYUDHWBXSA-N 0 0 335.347 2.142 40 0 EEABRN O=C(NCc1ccccn1)NCC1CCN(CC(F)(F)F)CC1 ZINC000195571426 241016770 /nfs/dbraw/zinc/01/67/70/241016770.db2.gz HHLULAKUMHHXOY-UHFFFAOYSA-N 0 0 330.354 2.155 40 0 EEABRN COC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052046 241292927 /nfs/dbraw/zinc/29/29/27/241292927.db2.gz YMEGOAVOQZMSHP-FGTMMUONSA-N 0 0 331.437 2.279 40 0 EEABRN CCC1=NN(C(=O)COc2ccccc2)[C@](O)(c2ccncc2)C1 ZINC000000302661 201458217 /nfs/dbraw/zinc/45/82/17/201458217.db2.gz CEOGVSWSBUSBPB-GOSISDBHSA-N 0 0 325.368 2.304 40 0 EEABRN COC[C@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605571 241335379 /nfs/dbraw/zinc/33/53/79/241335379.db2.gz WPOTWRTXDKCUDH-ULQDDVLXSA-N 0 0 335.400 2.109 40 0 EEABRN O=C(NC1CC1)N1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096239589 283918369 /nfs/dbraw/zinc/91/83/69/283918369.db2.gz ZJAJKNZARRGMBW-INIZCTEOSA-N 0 0 336.386 2.491 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225221977 241813054 /nfs/dbraw/zinc/81/30/54/241813054.db2.gz PVJJAJWJZWTGCN-CQSZACIVSA-N 0 0 326.462 2.248 40 0 EEABRN O=C(c1cnccn1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732247 242007870 /nfs/dbraw/zinc/00/78/70/242007870.db2.gz BXRPLBXPDKWYLY-LLVKDONJSA-N 0 0 338.289 2.184 40 0 EEABRN CCN(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000226053691 242086902 /nfs/dbraw/zinc/08/69/02/242086902.db2.gz SDZHCDDVJWJGRG-UHFFFAOYSA-N 0 0 346.452 2.322 40 0 EEABRN Cc1cc(C)n2nc(C(=O)NCc3nc4ccccc4n3C)cc2n1 ZINC000035314051 201674097 /nfs/dbraw/zinc/67/40/97/201674097.db2.gz GAORYKFXRAICAA-UHFFFAOYSA-N 0 0 334.383 2.163 40 0 EEABRN CC(C)n1cc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cn1 ZINC000241926496 243006447 /nfs/dbraw/zinc/00/64/47/243006447.db2.gz UGPNMDYTXXYVOZ-UHFFFAOYSA-N 0 0 340.435 2.249 40 0 EEABRN CCOC(=O)c1cc(C)sc1NC(=O)N1CCn2nc(C)nc2C1 ZINC000242001097 243008763 /nfs/dbraw/zinc/00/87/63/243008763.db2.gz VCYOYGFGBMPUHY-UHFFFAOYSA-N 0 0 349.416 2.181 40 0 EEABRN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000253429203 243975064 /nfs/dbraw/zinc/97/50/64/243975064.db2.gz CEVPNAMSFPXETD-PHIMTYICSA-N 0 0 346.355 2.078 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)CCn2cccn2)[C@H]1c1ccc(Cl)cc1 ZINC000092504342 203083523 /nfs/dbraw/zinc/08/35/23/203083523.db2.gz ZAYFMMKJMAHAKU-RHSMWYFYSA-N 0 0 346.818 2.015 40 0 EEABRN Cc1nn2cnnc2c(C)c1CCC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000071284664 203089462 /nfs/dbraw/zinc/08/94/62/203089462.db2.gz BBIFNAOBXPREDC-QLFBSQMISA-N 0 0 325.416 2.002 40 0 EEABRN Cc1ccc(-c2ncc(CN3CCN4C(=O)NC[C@H]4C3)s2)cc1 ZINC000091865666 203077877 /nfs/dbraw/zinc/07/78/77/203077877.db2.gz XLWVHFHNSHYDFY-AWEZNQCLSA-N 0 0 328.441 2.328 40 0 EEABRN O=C(COc1cccc(F)c1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257199597 244114685 /nfs/dbraw/zinc/11/46/85/244114685.db2.gz AABGUUFSRQMVPO-HNNXBMFYSA-N 0 0 329.375 2.385 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2c(C)noc2C)nc1 ZINC000257210451 244150363 /nfs/dbraw/zinc/15/03/63/244150363.db2.gz BUQVTHRUSAWMDL-INIZCTEOSA-N 0 0 342.399 2.300 40 0 EEABRN Cc1cc(NC2CC3(C2)CCN(C(=O)c2cccn2C)C3)ncn1 ZINC000257210645 244150872 /nfs/dbraw/zinc/15/08/72/244150872.db2.gz BVOXBICIIVUWJF-UHFFFAOYSA-N 0 0 325.416 2.230 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)nc(C)n1 ZINC000257227404 244204856 /nfs/dbraw/zinc/20/48/56/244204856.db2.gz FPCJFMRRQZDECE-CQSZACIVSA-N 0 0 331.445 2.498 40 0 EEABRN CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000257227939 244206467 /nfs/dbraw/zinc/20/64/67/244206467.db2.gz FRPSUXVABPHVEJ-GOSISDBHSA-N 0 0 348.418 2.051 40 0 EEABRN COc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000072237942 203184026 /nfs/dbraw/zinc/18/40/26/203184026.db2.gz YPJBLJKUBLDBHS-ROUUACIJSA-N 0 0 340.379 2.232 40 0 EEABRN O=S(=O)(NCc1ccccc1Cl)c1cnn(-c2ccccn2)c1 ZINC000072239027 203184699 /nfs/dbraw/zinc/18/46/99/203184699.db2.gz RNLOZVPERFFYFX-UHFFFAOYSA-N 0 0 348.815 2.399 40 0 EEABRN COCc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 ZINC000257220926 244183559 /nfs/dbraw/zinc/18/35/59/244183559.db2.gz DMUVQRLVFNXKKU-QZTJIDSGSA-N 0 0 345.370 2.236 40 0 EEABRN Cc1nn(C)c2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)ccc12 ZINC000257243940 244249862 /nfs/dbraw/zinc/24/98/62/244249862.db2.gz IJEWHDWYQQCZHZ-ZDUSSCGKSA-N 0 0 336.399 2.087 40 0 EEABRN CC(C)C(=O)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383682 203210532 /nfs/dbraw/zinc/21/05/32/203210532.db2.gz XNYVHJSBKQXLDZ-UHFFFAOYSA-N 0 0 340.431 2.447 40 0 EEABRN CS(=O)(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072379163 203210955 /nfs/dbraw/zinc/21/09/55/203210955.db2.gz ACLJFWUHCUQPFZ-INIZCTEOSA-N 0 0 335.404 2.303 40 0 EEABRN CCn1nc(C(=O)N2CCNC[C@H]2c2ccccc2OC)cc1C ZINC000257231956 244217909 /nfs/dbraw/zinc/21/79/09/244217909.db2.gz GIVCGLVPCLVPBK-INIZCTEOSA-N 0 0 328.416 2.007 40 0 EEABRN C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc2ccccn21 ZINC000040474104 203202008 /nfs/dbraw/zinc/20/20/08/203202008.db2.gz CXHLHZVQSGNSEY-NSHDSACASA-N 0 0 335.367 2.105 40 0 EEABRN Cc1c(C(=O)N2CCC[C@@H](n3nnc4cc(F)ccc43)C2)cnn1C ZINC000072347943 203202805 /nfs/dbraw/zinc/20/28/05/203202805.db2.gz FMNMMDJSIWYZQG-CYBMUJFWSA-N 0 0 342.378 2.090 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(OC)cc1 ZINC000072354745 203205111 /nfs/dbraw/zinc/20/51/11/203205111.db2.gz DVMAIQZFGIFHIZ-HNNXBMFYSA-N 0 0 342.399 2.044 40 0 EEABRN CC(C)c1ncc(CN2CCC[C@H]2c2n[nH]cc2C(=O)N(C)C)cn1 ZINC000072366801 203207395 /nfs/dbraw/zinc/20/73/95/203207395.db2.gz GFKJCJNJCBSUHY-HNNXBMFYSA-N 0 0 342.447 2.362 40 0 EEABRN Cc1c(CN2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)cnn1C ZINC000257241657 244246087 /nfs/dbraw/zinc/24/60/87/244246087.db2.gz HYZCDGWBYMHGEE-OAHLLOKOSA-N 0 0 326.404 2.204 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cccc(F)c2C)CC[C@@]12CCCO2 ZINC000257247289 244259868 /nfs/dbraw/zinc/25/98/68/244259868.db2.gz IYIBHNZTUYQCBL-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cccc(F)c2C)CC[C@]12CCCO2 ZINC000257247290 244261032 /nfs/dbraw/zinc/26/10/32/244261032.db2.gz IYIBHNZTUYQCBL-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)co1 ZINC000257248889 244263704 /nfs/dbraw/zinc/26/37/04/244263704.db2.gz JFRLJNSOGPBMGY-HOTGVXAUSA-N 0 0 334.347 2.167 40 0 EEABRN Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 ZINC000257249047 244265934 /nfs/dbraw/zinc/26/59/34/244265934.db2.gz JGLLXWXNVVWEGH-CYBMUJFWSA-N 0 0 335.404 2.492 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CCN(C(=O)c3cccc(OC)c3)C2)cn1 ZINC000072392174 203213051 /nfs/dbraw/zinc/21/30/51/203213051.db2.gz FWKVXMRJHFYTHX-AWEZNQCLSA-N 0 0 342.399 2.012 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)Cn1c2cccnc2n(C)c1=O ZINC000072389487 203213508 /nfs/dbraw/zinc/21/35/08/203213508.db2.gz BAOVWWJAGXYTOL-UHFFFAOYSA-N 0 0 346.774 2.036 40 0 EEABRN CNc1cc(CC[C@H]2CN(C(=O)c3c(C)noc3C)CCO2)ccn1 ZINC000257253536 244276081 /nfs/dbraw/zinc/27/60/81/244276081.db2.gz JZIBBTCXOHCHKF-HNNXBMFYSA-N 0 0 344.415 2.202 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3cc(C)no3)CC2)cn1 ZINC000257268774 244370668 /nfs/dbraw/zinc/37/06/68/244370668.db2.gz MNDBAIXIWIUNPR-CYBMUJFWSA-N 0 0 329.404 2.300 40 0 EEABRN c1cnc(N2CCC(c3ccnc(Nc4cnccn4)n3)CC2)nc1 ZINC000257264966 244358541 /nfs/dbraw/zinc/35/85/41/244358541.db2.gz LWSYTIBCLAZYBF-UHFFFAOYSA-N 0 0 334.387 2.184 40 0 EEABRN O=C(CC1CCCC1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O ZINC000257274678 244388219 /nfs/dbraw/zinc/38/82/19/244388219.db2.gz NMBOIIOROUZDRI-PSBWJHGTSA-N 0 0 333.428 2.015 40 0 EEABRN Cc1ncc(-c2cncc(C[C@@H]3CCCN(c4ncccn4)C3)n2)n1C ZINC000257275324 244390456 /nfs/dbraw/zinc/39/04/56/244390456.db2.gz NOWFXIDXKVVLMU-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN C[C@]1(O)CO[C@@H](c2ccc(F)cc2)C[C@@H]1n1cnc2c1ncnc2N ZINC000257276007 244391518 /nfs/dbraw/zinc/39/15/18/244391518.db2.gz NRZFHYYOXBWVCQ-IGCXYCKISA-N 0 0 343.362 2.001 40 0 EEABRN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2o1 ZINC000019936353 212086462 /nfs/dbraw/zinc/08/64/62/212086462.db2.gz BCDVGDJARNHIMS-UHFFFAOYSA-N 0 0 338.772 2.253 40 0 EEABRN O=C(/C=C/c1ccccc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 ZINC000257323544 244528262 /nfs/dbraw/zinc/52/82/62/244528262.db2.gz WKTYHHXUPLULLS-YCZSJOHXSA-N 0 0 336.382 2.003 40 0 EEABRN CS(=O)(=O)N(c1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000083291255 203515942 /nfs/dbraw/zinc/51/59/42/203515942.db2.gz GLTNBGDWZIVPRX-UHFFFAOYSA-N 0 0 341.410 2.205 40 0 EEABRN CC(=O)N1CCc2cc(C(=O)NC[C@@H](C)CC3(C)OCCO3)ccc21 ZINC000089895214 203601222 /nfs/dbraw/zinc/60/12/22/203601222.db2.gz KSRCUUBYTDAJLI-ZDUSSCGKSA-N 0 0 346.427 2.115 40 0 EEABRN O=C(Cc1ccsc1)NC[C@@H]1OCCc2cn(CC3CC3)nc21 ZINC000096044377 203804654 /nfs/dbraw/zinc/80/46/54/203804654.db2.gz JVDRPUQVDYXFCC-HNNXBMFYSA-N 0 0 331.441 2.327 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)no1 ZINC000096065892 203820616 /nfs/dbraw/zinc/82/06/16/203820616.db2.gz RPDPGDVRBILHNW-OKZBNKHCSA-N 0 0 329.400 2.327 40 0 EEABRN O=C(NCc1ccco1)C(=O)Nc1ccc(Br)cc1F ZINC000042645836 204115565 /nfs/dbraw/zinc/11/55/65/204115565.db2.gz JIDJBVVYNFMQQS-UHFFFAOYSA-N 0 0 341.136 2.436 40 0 EEABRN Cc1cc(CN2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)no1 ZINC000107207883 204228239 /nfs/dbraw/zinc/22/82/39/204228239.db2.gz UFMHMVCGDXOJDA-BRWVUGGUSA-N 0 0 345.399 2.014 40 0 EEABRN Cn1ccnc1CN1CC[C@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107225953 204229107 /nfs/dbraw/zinc/22/91/07/204229107.db2.gz VZYDSRBYCRIYAR-AEFFLSMTSA-N 0 0 330.407 2.405 40 0 EEABRN CSCC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000108529638 204266073 /nfs/dbraw/zinc/26/60/73/204266073.db2.gz KTCCECUYGSBQNV-UHFFFAOYSA-N 0 0 347.484 2.176 40 0 EEABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000044456518 204299376 /nfs/dbraw/zinc/29/93/76/204299376.db2.gz SJXLXXKLJINHDZ-NSHDSACASA-N 0 0 345.848 2.048 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000048374675 204350541 /nfs/dbraw/zinc/35/05/41/204350541.db2.gz LQBLZKOUIQHOEM-UHFFFAOYSA-N 0 0 337.807 2.435 40 0 EEABRN Cc1nnc(COc2ccc(NC(=O)CCc3cnn(C)c3)cc2)o1 ZINC000079308219 217205696 /nfs/dbraw/zinc/20/56/96/217205696.db2.gz NQSHHIPJKDYBOV-UHFFFAOYSA-N 0 0 341.371 2.262 40 0 EEABRN O=C(c1ccco1)N1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158325 296267276 /nfs/dbraw/zinc/26/72/76/296267276.db2.gz OPCFFTRTNKPZKP-QGZVFWFLSA-N 0 0 330.363 2.341 40 0 EEABRN O=C(NCc1ccc(N2CCCCCC2)nc1)N[C@@H](CCO)C1CC1 ZINC000095401079 218335625 /nfs/dbraw/zinc/33/56/25/218335625.db2.gz HZZFAYKJQQXXTD-KRWDZBQOSA-N 0 0 346.475 2.422 40 0 EEABRN O=C(Nc1ccc(CN2CCOCC2)cn1)c1cc(Cl)ccn1 ZINC000095443712 218387761 /nfs/dbraw/zinc/38/77/61/218387761.db2.gz ATMMYLOBQAADCB-UHFFFAOYSA-N 0 0 332.791 2.215 40 0 EEABRN C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@H]1c1nncn1C ZINC000095453680 218397461 /nfs/dbraw/zinc/39/74/61/218397461.db2.gz ATJIGDHYHMMMMJ-WFASDCNBSA-N 0 0 347.394 2.268 40 0 EEABRN Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)cc1Br ZINC000095453990 218397716 /nfs/dbraw/zinc/39/77/16/218397716.db2.gz FQLBLERBEOCXAI-NSHDSACASA-N 0 0 337.221 2.476 40 0 EEABRN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1c[nH]c(=O)[nH]1 ZINC000096096721 218590358 /nfs/dbraw/zinc/59/03/58/218590358.db2.gz VIBIIBMWWCGVCO-UHFFFAOYSA-N 0 0 328.397 2.373 40 0 EEABRN CO[C@@]1(CNS(=O)(=O)c2ccc(Cl)s2)CCSC1 ZINC000096097664 218590790 /nfs/dbraw/zinc/59/07/90/218590790.db2.gz NBQCYWBRJJYSCG-SNVBAGLBSA-N 0 0 327.880 2.202 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000096426336 218796257 /nfs/dbraw/zinc/79/62/57/218796257.db2.gz WSJWXXLQMHXPOA-CVEARBPZSA-N 0 0 341.411 2.273 40 0 EEABRN Cc1ccc(-n2ccnc2)c(C(=O)NCCOCC(F)(F)F)c1 ZINC000096436002 218814621 /nfs/dbraw/zinc/81/46/21/218814621.db2.gz VKVZFZWFOAIBGT-UHFFFAOYSA-N 0 0 327.306 2.489 40 0 EEABRN Cc1cc(NC(=O)NCC[S@@](C)=O)ccc1OCC(F)(F)F ZINC000096435076 218812759 /nfs/dbraw/zinc/81/27/59/218812759.db2.gz CVJZLTNQQKXFIA-QFIPXVFZSA-N 0 0 338.351 2.436 40 0 EEABRN O=C(CCc1ccncc1)N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000096502484 218879121 /nfs/dbraw/zinc/87/91/21/218879121.db2.gz KJFZKFCJMTUADL-UHFFFAOYSA-N 0 0 344.846 2.407 40 0 EEABRN O=C(N[C@@H](CO)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000097233076 219001308 /nfs/dbraw/zinc/00/13/08/219001308.db2.gz ZWZMWHQEGXAJCN-SFHVURJKSA-N 0 0 338.407 2.272 40 0 EEABRN CN1C[C@@H](C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1=O ZINC000097236077 219001860 /nfs/dbraw/zinc/00/18/60/219001860.db2.gz GDDQFHYILDIJDG-MADCSZMMSA-N 0 0 336.260 2.163 40 0 EEABRN C[C@@H](NC(=O)Nc1nc2c(s1)CCCC2)c1nnnn1C1CC1 ZINC000191506695 533227135 /nfs/dbraw/zinc/22/71/35/533227135.db2.gz PIJOSIACZXCWHQ-MRVPVSSYSA-N 0 0 333.421 2.226 40 0 EEABRN CCOc1cc([C@@H](N)c2nc(-c3cccnc3)n[nH]2)ccc1OC ZINC000095534389 257700535 /nfs/dbraw/zinc/70/05/35/257700535.db2.gz JLZKXLXPGIQFCX-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccsc1 ZINC000371244947 258001986 /nfs/dbraw/zinc/00/19/86/258001986.db2.gz RLVDAFOIWDOXBS-VIFPVBQESA-N 0 0 330.335 2.394 40 0 EEABRN CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N1CCOCC1 ZINC000176620115 258071851 /nfs/dbraw/zinc/07/18/51/258071851.db2.gz NTQDUMRVJCAQIB-IAGOWNOFSA-N 0 0 345.443 2.171 40 0 EEABRN O=S(=O)(c1cc(F)ccc1N1CCC(O)CC1)C(F)(F)F ZINC000065612225 296467410 /nfs/dbraw/zinc/46/74/10/296467410.db2.gz XONSEEDEGKVHGS-UHFFFAOYSA-N 0 0 327.299 2.080 40 0 EEABRN Cc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000057457060 132201023 /nfs/dbraw/zinc/20/10/23/132201023.db2.gz VUWYFANFUSWZQI-UHFFFAOYSA-N 0 0 349.434 2.413 40 0 EEABRN Cc1c(C(=O)CN2CCN(c3cnccn3)CC2)c2ccccc2n1C ZINC000036741476 132393285 /nfs/dbraw/zinc/39/32/85/132393285.db2.gz PSZJKYGLKYJKOM-UHFFFAOYSA-N 0 0 349.438 2.282 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218517107 286181232 /nfs/dbraw/zinc/18/12/32/286181232.db2.gz LCZAPBOJZZRJPU-DZKIICNBSA-N 0 0 341.498 2.068 40 0 EEABRN Cc1n[nH]cc1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000181776684 533683959 /nfs/dbraw/zinc/68/39/59/533683959.db2.gz QIJAUCNRXDKGAY-UHFFFAOYSA-N 0 0 335.411 2.356 40 0 EEABRN Cc1c(C(=O)N2CCOc3ccncc32)nnn1CC1CCCC1 ZINC000279553876 269287881 /nfs/dbraw/zinc/28/78/81/269287881.db2.gz UOWYIRNPLRMBAX-UHFFFAOYSA-N 0 0 327.388 2.211 40 0 EEABRN CC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCC(C)C ZINC000096143256 278058245 /nfs/dbraw/zinc/05/82/45/278058245.db2.gz UVKPJUQPXLSTLB-KRWDZBQOSA-N 0 0 336.457 2.185 40 0 EEABRN Cc1c[nH]nc1[C@H]1COCCN1C(=O)CCn1ccnc1C(C)C ZINC000257334668 279007191 /nfs/dbraw/zinc/00/71/91/279007191.db2.gz YGXKAAAMJKRTLM-CQSZACIVSA-N 0 0 331.420 2.028 40 0 EEABRN Cc1nccc(N2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000097376477 279164630 /nfs/dbraw/zinc/16/46/30/279164630.db2.gz QPVPICDSHMMKIR-IRXDYDNUSA-N 0 0 337.427 2.173 40 0 EEABRN CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2c(c1)OCCCO2 ZINC000096041478 279784959 /nfs/dbraw/zinc/78/49/59/279784959.db2.gz CZORSJCEPVEDET-YXJHDRRASA-N 0 0 347.411 2.256 40 0 EEABRN O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000012186903 280072484 /nfs/dbraw/zinc/07/24/84/280072484.db2.gz UNANMIOPIDCHMV-UHFFFAOYSA-N 0 0 349.390 2.153 40 0 EEABRN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)o1 ZINC000193955179 288552344 /nfs/dbraw/zinc/55/23/44/288552344.db2.gz MWFHFCTWBTZFLZ-JSGCOSHPSA-N 0 0 342.461 2.176 40 0 EEABRN CCO[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000283137426 292905406 /nfs/dbraw/zinc/90/54/06/292905406.db2.gz ZZXUKIDZPGYVNF-IJLUTSLNSA-N 0 0 349.412 2.123 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C(=O)C4CC4)[C@@H]32)cc1 ZINC000019019283 295250133 /nfs/dbraw/zinc/25/01/33/295250133.db2.gz UEIRGWOWMSLKRD-GUDVDZBRSA-N 0 0 342.439 2.411 40 0 EEABRN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCn3nccc3C2)c1C ZINC000253473385 301179265 /nfs/dbraw/zinc/17/92/65/301179265.db2.gz UQZAPZRYTYKMHH-OAHLLOKOSA-N 0 0 333.457 2.410 40 0 EEABRN CCOC1CC(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000331845604 311912832 /nfs/dbraw/zinc/91/28/32/311912832.db2.gz HIWRGROVKMAPBM-UHFFFAOYSA-N 0 0 338.370 2.290 40 0 EEABRN Cc1cc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)ccn1 ZINC000332319034 311988700 /nfs/dbraw/zinc/98/87/00/311988700.db2.gz KBHQGKKBBXKXDH-AWEZNQCLSA-N 0 0 331.338 2.379 40 0 EEABRN CC(C)CNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000414657950 313057850 /nfs/dbraw/zinc/05/78/50/313057850.db2.gz IOSGYIIGMILGPF-UHFFFAOYSA-N 0 0 348.262 2.385 40 0 EEABRN O=C(N1CCC(c2c[nH]c3ccc(F)cc32)CC1)[C@]1(O)CCOC1 ZINC000569210036 319555584 /nfs/dbraw/zinc/55/55/84/319555584.db2.gz IDIPQRCTIZBRND-SFHVURJKSA-N 0 0 332.375 2.164 40 0 EEABRN Cc1nc2ccccc2cc1C(=O)NCCC(=O)NCc1ccccn1 ZINC000097097846 323320477 /nfs/dbraw/zinc/32/04/77/323320477.db2.gz RNPQMBCAQMGQFZ-UHFFFAOYSA-N 0 0 348.406 2.375 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCc2scnc2C)n1 ZINC000097102792 323321452 /nfs/dbraw/zinc/32/14/52/323321452.db2.gz IWJRYRFXWCEOML-NSHDSACASA-N 0 0 338.458 2.500 40 0 EEABRN COc1ccc(C(=O)N2CCc3cccc(C)c32)cc1-n1cnnn1 ZINC000097237635 323321531 /nfs/dbraw/zinc/32/15/31/323321531.db2.gz ZODMSFYYALUYQM-UHFFFAOYSA-N 0 0 335.367 2.182 40 0 EEABRN C[S@](=O)Cc1ccccc1NCCN1C(=O)c2ccccc2C1=O ZINC000155273641 323332374 /nfs/dbraw/zinc/33/23/74/323332374.db2.gz NAJRFLJUHDWSLG-XMMPIXPASA-N 0 0 342.420 2.273 40 0 EEABRN O=C(c1ccc(Cl)s1)N1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000085436785 462548084 /nfs/dbraw/zinc/54/80/84/462548084.db2.gz CINYXOYXJPQEQO-LLVKDONJSA-N 0 0 340.832 2.486 40 0 EEABRN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1cccs1)CS2 ZINC000085473855 462549884 /nfs/dbraw/zinc/54/98/84/462549884.db2.gz AEQZBDKYZBQZHM-NSHDSACASA-N 0 0 349.481 2.214 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@@H]1CSc2ncc(C)c(=O)n2C1 ZINC000085473719 462550073 /nfs/dbraw/zinc/55/00/73/462550073.db2.gz JOQWDAMGHODHAQ-LBPRGKRZSA-N 0 0 345.424 2.229 40 0 EEABRN Cc1cnc2n(c1=O)C[C@@H](C(=O)NCc1ccccc1Cl)CS2 ZINC000085473623 462550585 /nfs/dbraw/zinc/55/05/85/462550585.db2.gz IDPGELPUZUZFNG-GFCCVEGCSA-N 0 0 349.843 2.243 40 0 EEABRN Cc1[nH]nc(NC(=O)[C@H]2CN(C)CCO2)c1-c1cccc(Cl)c1 ZINC000085542571 462552084 /nfs/dbraw/zinc/55/20/84/462552084.db2.gz LOHSQQMWBSUPBI-CYBMUJFWSA-N 0 0 334.807 2.308 40 0 EEABRN OC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297652 462553640 /nfs/dbraw/zinc/55/36/40/462553640.db2.gz VJZJGRMLFMJRGG-FZMZJTMJSA-N 0 0 329.183 2.451 40 0 in-vitro EEABRN COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl ZINC000000810086 462573451 /nfs/dbraw/zinc/57/34/51/462573451.db2.gz ZXDSWTLWNSVOEF-UHFFFAOYSA-N 0 0 347.820 2.066 40 0 EEABRN COc1cccc([C@@H]([NH3+])[C@@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667021 462585289 /nfs/dbraw/zinc/58/52/89/462585289.db2.gz NQCYRUZEDDWTHR-CVEARBPZSA-N 0 0 333.384 2.454 40 0 EEABRN COc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)nn1 ZINC000087256429 462598891 /nfs/dbraw/zinc/59/88/91/462598891.db2.gz PBHPQUKYAGHCBO-FUHWJXTLSA-N 0 0 349.394 2.340 40 0 EEABRN Cc1ccc(O)c(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])c1 ZINC000004939789 462640548 /nfs/dbraw/zinc/64/05/48/462640548.db2.gz VSZDKGPNKANBBC-OAHLLOKOSA-N 0 0 328.368 2.272 40 0 EEABRN C[C@H](NC(=O)c1cccnc1Cl)c1nc(-c2cccnc2)n[nH]1 ZINC000005001910 462644301 /nfs/dbraw/zinc/64/43/01/462644301.db2.gz CSDBVQYFDZKPGA-VIFPVBQESA-N 0 0 328.763 2.406 40 0 EEABRN Cc1nn(C(C)C)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)nc12 ZINC000046087599 462646318 /nfs/dbraw/zinc/64/63/18/462646318.db2.gz UGSUPRQCUJOEPA-UHFFFAOYSA-N 0 0 341.371 2.490 40 0 EEABRN CCCCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000006597053 462692158 /nfs/dbraw/zinc/69/21/58/462692158.db2.gz OBRXPNLYBIIUFH-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006945489 462713820 /nfs/dbraw/zinc/71/38/20/462713820.db2.gz NAVWIOQEFHZJLD-GHMZBOCLSA-N 0 0 332.853 2.312 40 0 EEABRN COCCCNC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 ZINC000006966505 462714085 /nfs/dbraw/zinc/71/40/85/462714085.db2.gz GZMORGHYNHOFAE-UHFFFAOYSA-N 0 0 334.445 2.129 40 0 EEABRN O=C(NC1CC1)c1c2c(sc1NC(=O)C1CCOCC1)CCC2 ZINC000065067431 462736530 /nfs/dbraw/zinc/73/65/30/462736530.db2.gz JNRULTGRQJVAEY-UHFFFAOYSA-N 0 0 334.441 2.494 40 0 EEABRN Cn1c2ccc(NC(=O)[C@H]3CN(C)CCO3)cc2nc1C(C)(C)C ZINC000089989827 462761843 /nfs/dbraw/zinc/76/18/43/462761843.db2.gz RKNXJOKSQAMWTQ-OAHLLOKOSA-N 0 0 330.432 2.140 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1 ZINC000008335593 462780192 /nfs/dbraw/zinc/78/01/92/462780192.db2.gz ZPPRAZMLRZUPAO-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN Cc1ccc(C)c(-n2nc(C(=O)NCCO)nc2-c2ccccc2)c1 ZINC000008476744 462784297 /nfs/dbraw/zinc/78/42/97/462784297.db2.gz RTQRXOBJTQFXAO-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN Cc1nnc(NC(=O)CCC(=O)O[C@H](C)C(=O)c2ccccc2)s1 ZINC000008474389 462784566 /nfs/dbraw/zinc/78/45/66/462784566.db2.gz ZENDQRVFIRZTRG-SNVBAGLBSA-N 0 0 347.396 2.380 40 0 EEABRN Cc1ccc(-c2nc(C(=O)NCCO)nn2-c2cccc(C)c2)cc1 ZINC000008476924 462785162 /nfs/dbraw/zinc/78/51/62/462785162.db2.gz XMVXUGZRPPZVDD-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN Cc1ccc([C@@H]2c3c(-c4ccco4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297377 462815771 /nfs/dbraw/zinc/81/57/71/462815771.db2.gz ZATGRUHRPRQLGD-OAHLLOKOSA-N 0 0 347.338 2.432 40 0 EEABRN Cc1ccc([C@@](O)(CC(=O)N[C@H](C)c2cnn(C)c2)C(F)(F)F)o1 ZINC000091059774 462828659 /nfs/dbraw/zinc/82/86/59/462828659.db2.gz BJEUEJJDAXURKL-YGRLFVJLSA-N 0 0 345.321 2.339 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O ZINC000012117524 462843464 /nfs/dbraw/zinc/84/34/64/462843464.db2.gz FFTPDOLWVFEUJO-ZIAGYGMSSA-N 0 0 330.432 2.474 40 0 EEABRN COc1ccc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000012113231 462844211 /nfs/dbraw/zinc/84/42/11/462844211.db2.gz JCGNOBDMZOJHOI-UHFFFAOYSA-N 0 0 342.395 2.223 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000012141914 462845953 /nfs/dbraw/zinc/84/59/53/462845953.db2.gz XJJYZRHVFPWQGC-LBPRGKRZSA-N 0 0 340.431 2.281 40 0 EEABRN O=C(Cc1ccccn1)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 ZINC000012327533 462850254 /nfs/dbraw/zinc/85/02/54/462850254.db2.gz AZAKJUDYGWZBPM-AWEZNQCLSA-N 0 0 349.394 2.475 40 0 EEABRN O=C1CCc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1 ZINC000012364717 462851235 /nfs/dbraw/zinc/85/12/35/462851235.db2.gz LRLAEFCOUYTWQT-DOTOQJQBSA-N 0 0 342.420 2.406 40 0 EEABRN Cc1nc(C2CCN(C(=O)C(C)C)CC2)nc(N2CCOCC2)c1C ZINC000012743383 462864791 /nfs/dbraw/zinc/86/47/91/462864791.db2.gz GQSMJAUZTJMSPI-UHFFFAOYSA-N 0 0 346.475 2.292 40 0 EEABRN CCCNC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716565 462902307 /nfs/dbraw/zinc/90/23/07/462902307.db2.gz ZDRZBNNBJQJOHH-HNNXBMFYSA-N 0 0 326.462 2.374 40 0 EEABRN COC(=O)CN1C(=O)S/C(=C\C=C\c2ccc(OC)cc2)C1=O ZINC000015012318 462938708 /nfs/dbraw/zinc/93/87/08/462938708.db2.gz AEPYDXOIQKQELK-XKZGMXHESA-N 0 0 333.365 2.461 40 0 EEABRN Cc1nnsc1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000049031914 462951299 /nfs/dbraw/zinc/95/12/99/462951299.db2.gz GXVLZTHHSHHSBM-UHFFFAOYSA-N 0 0 327.369 2.136 40 0 EEABRN CCOC(=O)CS[C@H]1CC(=O)N(c2ccccc2Cl)C1=O ZINC000016899937 462990830 /nfs/dbraw/zinc/99/08/30/462990830.db2.gz VEALUZLKJUVPOX-NSHDSACASA-N 0 0 327.789 2.268 40 0 EEABRN CCOc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019169304 463015336 /nfs/dbraw/zinc/01/53/36/463015336.db2.gz NFRYNEACEHNBIZ-UHFFFAOYSA-N 0 0 348.424 2.304 40 0 EEABRN CCc1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)on1 ZINC000019522777 463017711 /nfs/dbraw/zinc/01/77/11/463017711.db2.gz OSBYSYJECGWJFJ-UHFFFAOYSA-N 0 0 329.385 2.445 40 0 EEABRN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095534212 463106287 /nfs/dbraw/zinc/10/62/87/463106287.db2.gz LTHVYRNCGKQBRM-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN CC(C)(C)OC(=O)NC[C@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000078393987 463112245 /nfs/dbraw/zinc/11/22/45/463112245.db2.gz XGQDLNAOBYARGT-HIFRSBDPSA-N 0 0 333.432 2.060 40 0 EEABRN O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cccc2ncccc21 ZINC000078449305 463116860 /nfs/dbraw/zinc/11/68/60/463116860.db2.gz FWGHTZRDPOUAHC-MRXNPFEDSA-N 0 0 341.436 2.276 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000078714989 463142790 /nfs/dbraw/zinc/14/27/90/463142790.db2.gz ILAATYLCYGSIJJ-DLBZAZTESA-N 0 0 336.407 2.460 40 0 EEABRN O=C(Cc1ccccn1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039866 463145660 /nfs/dbraw/zinc/14/56/60/463145660.db2.gz PYSVFNIGDZUPSF-QUCCMNQESA-N 0 0 344.455 2.448 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1 ZINC000096045365 463148643 /nfs/dbraw/zinc/14/86/43/463148643.db2.gz LAGPDOMJMMDYBG-INIZCTEOSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)c(C)[nH]1 ZINC000096046347 463150173 /nfs/dbraw/zinc/15/01/73/463150173.db2.gz IEVWPWPCSHNCJV-RRQGHBQHSA-N 0 0 326.400 2.414 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050805 463154268 /nfs/dbraw/zinc/15/42/68/463154268.db2.gz XVIXOTXSMNBXCD-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN Fc1ccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cc1 ZINC000096052380 463157110 /nfs/dbraw/zinc/15/71/10/463157110.db2.gz XIXRRADDDFAVGQ-MOPGFXCFSA-N 0 0 345.418 2.472 40 0 EEABRN CC[C@@H]1N(C(=O)c2ccoc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052444 463157263 /nfs/dbraw/zinc/15/72/63/463157263.db2.gz HIYVRPIWTHMHMA-YJBOKZPZSA-N 0 0 334.416 2.302 40 0 EEABRN C[C@@H](CSc1ccccc1)C(=O)NCCc1nnc2n1CCC2 ZINC000078883151 463160138 /nfs/dbraw/zinc/16/01/38/463160138.db2.gz FHFRHCANJWJOCN-ZDUSSCGKSA-N 0 0 330.457 2.311 40 0 EEABRN Cc1occc1C(=O)N1CCc2ncnc([C@H]3CCOC3)c2CC1 ZINC000096058662 463160575 /nfs/dbraw/zinc/16/05/75/463160575.db2.gz WDPWWWSRAAYLCZ-ZDUSSCGKSA-N 0 0 327.384 2.123 40 0 EEABRN COC(=O)Cn1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000157721091 463162099 /nfs/dbraw/zinc/16/20/99/463162099.db2.gz XSMBWXRHUTXPBH-UHFFFAOYSA-N 0 0 345.252 2.466 40 0 EEABRN Cc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cs1 ZINC000096069714 463166182 /nfs/dbraw/zinc/16/61/82/463166182.db2.gz DBDGTGFSQFEZEO-INIZCTEOSA-N 0 0 342.468 2.485 40 0 EEABRN COCCCS(=O)(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000078923373 463166586 /nfs/dbraw/zinc/16/65/86/463166586.db2.gz POUBSNVLNVREBE-CYBMUJFWSA-N 0 0 348.262 2.392 40 0 EEABRN CCSc1cncc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1 ZINC000068696863 463167323 /nfs/dbraw/zinc/16/73/23/463167323.db2.gz HGTPKJJDDMOGOA-UHFFFAOYSA-N 0 0 332.429 2.452 40 0 EEABRN CS(=O)(=O)[C@@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 ZINC000096098086 463172297 /nfs/dbraw/zinc/17/22/97/463172297.db2.gz WDHCNCGHGCZKIU-GFCCVEGCSA-N 0 0 327.471 2.205 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000078988721 463176069 /nfs/dbraw/zinc/17/60/69/463176069.db2.gz ZQDSNOPUYZASBD-YPMHNXCESA-N 0 0 329.404 2.116 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000078999096 463177447 /nfs/dbraw/zinc/17/74/47/463177447.db2.gz GEGPQXJQGNJOJR-SJORKVTESA-N 0 0 346.475 2.127 40 0 EEABRN O=C(c1cscn1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096110421 463178047 /nfs/dbraw/zinc/17/80/47/463178047.db2.gz OXGNVKKMXJLGOD-PBHICJAKSA-N 0 0 345.424 2.238 40 0 EEABRN Cc1noc([C@H]2CCC3(CCN(C(=O)c4cnc(C)cn4)CC3)O2)n1 ZINC000096109944 463178843 /nfs/dbraw/zinc/17/88/43/463178843.db2.gz ODUAZYSRLCUPGN-CQSZACIVSA-N 0 0 343.387 2.003 40 0 EEABRN CC(C)n1c(C(=O)NCCc2ccccc2)nc2c1CCN(C)C2 ZINC000096147145 463186031 /nfs/dbraw/zinc/18/60/31/463186031.db2.gz XNSIMACSPWZIMT-UHFFFAOYSA-N 0 0 326.444 2.424 40 0 EEABRN CN(Cc1ccco1)[C@@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@H]12 ZINC000096185976 463196857 /nfs/dbraw/zinc/19/68/57/463196857.db2.gz SIXOHQBUXOLRST-OAGGEKHMSA-N 0 0 332.379 2.077 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096199610 463204360 /nfs/dbraw/zinc/20/43/60/463204360.db2.gz MIFLMEFMEWQSQK-QGZVFWFLSA-N 0 0 335.407 2.360 40 0 EEABRN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2ccc[nH]2)cn1 ZINC000096200702 463205926 /nfs/dbraw/zinc/20/59/26/463205926.db2.gz MRTDFGCPSBFNTF-IRXDYDNUSA-N 0 0 328.416 2.001 40 0 EEABRN Cc1oncc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(C)C2=O)C1 ZINC000096201848 463206947 /nfs/dbraw/zinc/20/69/47/463206947.db2.gz QQSXAQSPZGLIFW-QFBILLFUSA-N 0 0 339.395 2.071 40 0 EEABRN O=C(NCCCn1ccnc1)C(=O)c1ccc(Br)cc1 ZINC000079349695 463208654 /nfs/dbraw/zinc/20/86/54/463208654.db2.gz CXKSSFDMASXGKR-UHFFFAOYSA-N 0 0 336.189 2.035 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1 ZINC000096206077 463208815 /nfs/dbraw/zinc/20/88/15/463208815.db2.gz HIVHENIDTCHCLB-NFAWXSAZSA-N 0 0 343.383 2.260 40 0 EEABRN c1csc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)n1 ZINC000096209150 463212330 /nfs/dbraw/zinc/21/23/30/463212330.db2.gz CRAQAFUXQYOUGO-MCIONIFRSA-N 0 0 346.456 2.483 40 0 EEABRN COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(SC)n1 ZINC000079439621 463214300 /nfs/dbraw/zinc/21/43/00/463214300.db2.gz AYYXEQZLBDVVCH-UHFFFAOYSA-N 0 0 340.449 2.264 40 0 EEABRN CCC(=O)N1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244227 463225838 /nfs/dbraw/zinc/22/58/38/463225838.db2.gz SJVFCQMVSMIMFR-SFHVURJKSA-N 0 0 342.399 2.092 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3CN(C(=O)CC4CC4)CC[C@@H]3C2)cs1 ZINC000096249702 463227265 /nfs/dbraw/zinc/22/72/65/463227265.db2.gz LZGAMJUREZMQFK-NVXWUHKLSA-N 0 0 349.500 2.301 40 0 EEABRN Cc1ccccc1NC(=O)N1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253102 463229078 /nfs/dbraw/zinc/22/90/78/463229078.db2.gz SSMCTBJLIPHJDJ-HLLBOEOZSA-N 0 0 343.427 2.285 40 0 EEABRN CC(=O)N1CCC2(CC1)CN(C(=O)c1cccc3[nH]ccc31)CCO2 ZINC000096268248 463231002 /nfs/dbraw/zinc/23/10/02/463231002.db2.gz CEVMZGFATCBTHI-UHFFFAOYSA-N 0 0 341.411 2.021 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 ZINC000096260875 463231158 /nfs/dbraw/zinc/23/11/58/463231158.db2.gz ABCANXSUILZPFX-HNNXBMFYSA-N 0 0 349.406 2.459 40 0 EEABRN CCn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C2 ZINC000096260641 463231854 /nfs/dbraw/zinc/23/18/54/463231854.db2.gz ODROLFYVQKDOPD-HNNXBMFYSA-N 0 0 346.452 2.012 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096378333 463236989 /nfs/dbraw/zinc/23/69/89/463236989.db2.gz MRFMZPHATDJRDT-UHFFFAOYSA-N 0 0 338.429 2.124 40 0 EEABRN CCc1ccccc1NC(=O)C(=O)NCC[S@@](=O)c1ccccc1 ZINC000096409032 463242501 /nfs/dbraw/zinc/24/25/01/463242501.db2.gz JSJSUMPXCPEUKB-DEOSSOPVSA-N 0 0 344.436 2.112 40 0 EEABRN CN(C)c1cc(C(=O)NCCc2csc(N3CCCC3)n2)ccn1 ZINC000096410548 463243557 /nfs/dbraw/zinc/24/35/57/463243557.db2.gz MVTNYEWYAKJDGW-UHFFFAOYSA-N 0 0 345.472 2.177 40 0 EEABRN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nn1 ZINC000096411008 463243577 /nfs/dbraw/zinc/24/35/77/463243577.db2.gz PPWGNXIIGLIODN-ZDUSSCGKSA-N 0 0 330.432 2.361 40 0 EEABRN COC[C@H](O)CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096410585 463244264 /nfs/dbraw/zinc/24/42/64/463244264.db2.gz FAKAZIZIWOBHAG-MRVPVSSYSA-N 0 0 326.702 2.488 40 0 EEABRN COc1ccccc1C1(CNC(=O)NCC[C@H](O)C(F)(F)F)CC1 ZINC000096413306 463245819 /nfs/dbraw/zinc/24/58/19/463245819.db2.gz BDTKCJUFMXJFNZ-ZDUSSCGKSA-N 0 0 346.349 2.339 40 0 EEABRN O=C(OCc1cnn(-c2ccccc2)n1)c1cccc(-n2cccn2)n1 ZINC000096413364 463245960 /nfs/dbraw/zinc/24/59/60/463245960.db2.gz ALXRQGUJYKZJGS-UHFFFAOYSA-N 0 0 346.350 2.205 40 0 EEABRN CC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1cc(F)ccc1F ZINC000096419027 463250716 /nfs/dbraw/zinc/25/07/16/463250716.db2.gz PCYSIFLRYUSAJN-ABAIWWIYSA-N 0 0 340.370 2.027 40 0 EEABRN C[C@@H]1CN(c2ccc(NC(=O)NCCCn3ccnc3)cc2)CCO1 ZINC000096418697 463250776 /nfs/dbraw/zinc/25/07/76/463250776.db2.gz UQVOUARWXHPEDN-OAHLLOKOSA-N 0 0 343.431 2.320 40 0 EEABRN CCSC1(CNC(=O)c2cnn(C)c2-n2cccc2)CCOCC1 ZINC000096420871 463252014 /nfs/dbraw/zinc/25/20/14/463252014.db2.gz WIQZODKXKZHVJU-UHFFFAOYSA-N 0 0 348.472 2.243 40 0 EEABRN Cc1occc1CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000096425148 463254832 /nfs/dbraw/zinc/25/48/32/463254832.db2.gz NONDROMYQWMXHY-QGZVFWFLSA-N 0 0 332.375 2.417 40 0 EEABRN C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096425835 463255485 /nfs/dbraw/zinc/25/54/85/463255485.db2.gz SAKPVRRVOCAFQQ-SECBINFHSA-N 0 0 340.351 2.254 40 0 EEABRN CO[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1 ZINC000096428735 463257878 /nfs/dbraw/zinc/25/78/78/463257878.db2.gz NBMCZDQNKXPRJR-AWEZNQCLSA-N 0 0 331.397 2.229 40 0 EEABRN O=S(=O)(Cc1ccon1)N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000096427902 463258122 /nfs/dbraw/zinc/25/81/22/463258122.db2.gz QYWNQOLGPHWCHA-INIZCTEOSA-N 0 0 347.371 2.418 40 0 EEABRN CC(C)c1cc(N2CCC[C@@H](N3CCCC3=O)C2)nc(N(C)C)n1 ZINC000096429475 463258810 /nfs/dbraw/zinc/25/88/10/463258810.db2.gz LZWLOAKCJWEFHB-CQSZACIVSA-N 0 0 331.464 2.257 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)NN1CCCCC1=O ZINC000096430818 463259847 /nfs/dbraw/zinc/25/98/47/463259847.db2.gz WIROUZFQJNADBY-UHFFFAOYSA-N 0 0 328.210 2.489 40 0 EEABRN COc1c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(C)nn1C ZINC000096432900 463261084 /nfs/dbraw/zinc/26/10/84/463261084.db2.gz NGIQELDOULZSSA-JKSUJKDBSA-N 0 0 343.427 2.465 40 0 EEABRN CC(C)Nc1ncccc1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000096435943 463264040 /nfs/dbraw/zinc/26/40/40/463264040.db2.gz XVFBDCVCWMJZBZ-UHFFFAOYSA-N 0 0 338.371 2.277 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1ccn(C(C)C)n1 ZINC000096440722 463266677 /nfs/dbraw/zinc/26/66/77/463266677.db2.gz YEEBKZHSRAWLAU-LBPRGKRZSA-N 0 0 332.452 2.245 40 0 EEABRN CCc1cc(CNC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)on1 ZINC000096440754 463267377 /nfs/dbraw/zinc/26/73/77/463267377.db2.gz SYNXRTRFZNYNTM-INIZCTEOSA-N 0 0 342.399 2.150 40 0 EEABRN Cc1cc(CC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)no1 ZINC000096443161 463268176 /nfs/dbraw/zinc/26/81/76/463268176.db2.gz KVNCJXOUKRXKFE-UHFFFAOYSA-N 0 0 328.347 2.209 40 0 EEABRN C[S@@](=O)C[C@@H](NC(=O)c1[nH]nc2ccccc21)c1ccccc1 ZINC000096445482 463269407 /nfs/dbraw/zinc/26/94/07/463269407.db2.gz BKQORIXNEIXTFC-CMJOXMDJSA-N 0 0 327.409 2.413 40 0 EEABRN O=C(c1ccc2nncn2c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000096460320 463276986 /nfs/dbraw/zinc/27/69/86/463276986.db2.gz RFXLZKRJNBSABA-QGZVFWFLSA-N 0 0 336.395 2.203 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1N(C)C ZINC000096472771 463279164 /nfs/dbraw/zinc/27/91/64/463279164.db2.gz SIAQRLFPLIXZRH-UHFFFAOYSA-N 0 0 325.459 2.338 40 0 EEABRN C[C@H](NC(=O)c1ccc(NC=O)cc1)c1cn(-c2ccccc2)nn1 ZINC000096474023 463280202 /nfs/dbraw/zinc/28/02/02/463280202.db2.gz HPNSXPWCVVMCGA-ZDUSSCGKSA-N 0 0 335.367 2.327 40 0 EEABRN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(F)cc2[nH]cnc21 ZINC000096492570 463287651 /nfs/dbraw/zinc/28/76/51/463287651.db2.gz SJFXRAIQVMTGFJ-UHFFFAOYSA-N 0 0 329.379 2.415 40 0 EEABRN Cn1cc(CCCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)cn1 ZINC000096493987 463288219 /nfs/dbraw/zinc/28/82/19/463288219.db2.gz MWKUUCOMMOJFTD-SFHVURJKSA-N 0 0 342.443 2.006 40 0 EEABRN O=C(c1cnns1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495826 463288803 /nfs/dbraw/zinc/28/88/03/463288803.db2.gz FIUPDMPKFCHUAS-LBPRGKRZSA-N 0 0 340.412 2.343 40 0 EEABRN O=C(Cc1cccnc1)N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000096502382 463292869 /nfs/dbraw/zinc/29/28/69/463292869.db2.gz SNCMBBCAYSZDIT-UHFFFAOYSA-N 0 0 330.819 2.017 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1cccc(N)c1 ZINC000096519866 463293803 /nfs/dbraw/zinc/29/38/03/463293803.db2.gz ZJKLLPACRHSMQJ-VHSXEESVSA-N 0 0 342.642 2.024 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000123069376 463313863 /nfs/dbraw/zinc/31/38/63/463313863.db2.gz MYOLHHFQQSJEOW-UHFFFAOYSA-N 0 0 347.346 2.395 40 0 EEABRN O=C(C[C@H]1COCCN1Cc1noc(C2CC2)n1)c1ccccc1 ZINC000097095932 463321404 /nfs/dbraw/zinc/32/14/04/463321404.db2.gz KUZPFLUYYONJOJ-HNNXBMFYSA-N 0 0 327.384 2.421 40 0 EEABRN COc1ccc([C@@H](C)NCc2ncnn2C)c(Br)c1 ZINC000097230993 463350860 /nfs/dbraw/zinc/35/08/60/463350860.db2.gz LVRPLBULTDONEN-SECBINFHSA-N 0 0 325.210 2.437 40 0 EEABRN CCOC(=O)C(/C=C\c1cc(C)c(C)c(C)c1)(NC=O)C(=O)OCC ZINC000031772688 463354201 /nfs/dbraw/zinc/35/42/01/463354201.db2.gz GFUMUEAARQFQGT-HJWRWDBZSA-N 0 0 347.411 2.236 40 0 EEABRN Cn1cc(C[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)cn1 ZINC000080784558 463354948 /nfs/dbraw/zinc/35/49/48/463354948.db2.gz IMBVKFPSFGUJMC-DZZUKKPASA-N 0 0 331.441 2.285 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(C)o1 ZINC000080900354 463365084 /nfs/dbraw/zinc/36/50/84/463365084.db2.gz UEANQSGDFLQWJT-KUHUBIRLSA-N 0 0 342.395 2.346 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)CC1 ZINC000100162427 463372444 /nfs/dbraw/zinc/37/24/44/463372444.db2.gz NVAWWXHPOJTWSM-SGMGOOAPSA-N 0 0 329.404 2.249 40 0 EEABRN C[C@@H](NC(=O)Nc1cccnc1)c1ccccc1NS(C)(=O)=O ZINC000056336030 463393264 /nfs/dbraw/zinc/39/32/64/463393264.db2.gz URLSCSFONBHPRH-LLVKDONJSA-N 0 0 334.401 2.336 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)nn1C ZINC000071195643 463411304 /nfs/dbraw/zinc/41/13/04/463411304.db2.gz AMCAHRPIJSIICL-CQSZACIVSA-N 0 0 336.399 2.117 40 0 EEABRN COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)c1 ZINC000035290134 463431588 /nfs/dbraw/zinc/43/15/88/463431588.db2.gz GSUKJTLNELHBOB-UHFFFAOYSA-N 0 0 348.428 2.108 40 0 EEABRN CCNC(=O)CNC(=O)c1ccccc1OCCOc1ccccc1 ZINC000040007710 463452278 /nfs/dbraw/zinc/45/22/78/463452278.db2.gz QKOCKJWQLKSPDG-UHFFFAOYSA-N 0 0 342.395 2.010 40 0 EEABRN CC(=O)NCc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC000039981783 463453394 /nfs/dbraw/zinc/45/33/94/463453394.db2.gz MBGWNMPKARJHMJ-UHFFFAOYSA-N 0 0 340.379 2.024 40 0 EEABRN O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000040466461 463456045 /nfs/dbraw/zinc/45/60/45/463456045.db2.gz FMCAGWQMUOHMIJ-UHFFFAOYSA-N 0 0 337.376 2.191 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@]1(C)Oc2ccc(C)cc2NC1=O ZINC000040778996 463464503 /nfs/dbraw/zinc/46/45/03/463464503.db2.gz DJXJEODHDFXKNE-KRWDZBQOSA-N 0 0 328.372 2.074 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 ZINC000057320746 463478212 /nfs/dbraw/zinc/47/82/12/463478212.db2.gz CPTLAGYMGLPDRH-UKRRQHHQSA-N 0 0 336.407 2.137 40 0 EEABRN CN1C[C@H](NC(=O)c2ccccc2NCc2cccnc2)CCC1=O ZINC000081785387 463492008 /nfs/dbraw/zinc/49/20/08/463492008.db2.gz FSMXMZPUTMGRNU-OAHLLOKOSA-N 0 0 338.411 2.044 40 0 EEABRN COc1ccccc1N1CCN(C(=O)COc2ccccc2N)CC1 ZINC000256054984 463755047 /nfs/dbraw/zinc/75/50/47/463755047.db2.gz YQJGEOHTZRMWLF-UHFFFAOYSA-N 0 0 341.411 2.005 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1F ZINC000257281034 463759578 /nfs/dbraw/zinc/75/95/78/463759578.db2.gz ONJIBYHZVIXZPK-QAPCUYQASA-N 0 0 348.418 2.278 40 0 EEABRN CN(C)Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3ccccc3)C2)n1 ZINC000257282205 463759869 /nfs/dbraw/zinc/75/98/69/463759869.db2.gz OSVVREDDDUINMA-MRXNPFEDSA-N 0 0 326.444 2.420 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2c(C)onc2C(C)C)CCO1 ZINC000257287374 463763370 /nfs/dbraw/zinc/76/33/70/463763370.db2.gz PPQHKWMKIABMLO-LBPRGKRZSA-N 0 0 345.403 2.152 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)cc1 ZINC000257318327 463775118 /nfs/dbraw/zinc/77/51/18/463775118.db2.gz VNKONWLIJHVQQR-QGZVFWFLSA-N 0 0 327.384 2.145 40 0 EEABRN Cc1cnc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329095 463780042 /nfs/dbraw/zinc/78/00/42/463780042.db2.gz XIJHTEFHPLGXEG-SFHVURJKSA-N 0 0 327.384 2.130 40 0 EEABRN COc1cc(-c2cc(-c3ccc(O)cc3O)nn2CCO)ccc1O ZINC000257333234 463783205 /nfs/dbraw/zinc/78/32/05/463783205.db2.gz YATPFOCNBYBTAO-UHFFFAOYSA-N 0 0 342.351 2.335 40 0 EEABRN Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1 ZINC000257342033 463786297 /nfs/dbraw/zinc/78/62/97/463786297.db2.gz ZMUMUSRSBQVDEP-CQSZACIVSA-N 0 0 339.443 2.458 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000260910060 463793832 /nfs/dbraw/zinc/79/38/32/463793832.db2.gz WLTCMLGKDOJCEK-NEPJUHHUSA-N 0 0 330.425 2.141 40 0 EEABRN O=C(COc1cccc(I)c1)NCCCF ZINC000194771210 463926457 /nfs/dbraw/zinc/92/64/57/463926457.db2.gz IWVBNUPKJAHUNA-UHFFFAOYSA-N 0 0 337.132 2.146 40 0 EEABRN CSC1(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)CCC1 ZINC000194906905 463955387 /nfs/dbraw/zinc/95/53/87/463955387.db2.gz YHRBDKLKYZNFKE-ZDUSSCGKSA-N 0 0 335.477 2.030 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)Nc2ccnc3ccnn32)[C@@H]1c1ccccc1 ZINC000171996523 463964263 /nfs/dbraw/zinc/96/42/63/463964263.db2.gz FLRCPXWVOQWMEC-KDOFPFPSSA-N 0 0 349.394 2.278 40 0 EEABRN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c(F)ccc(F)c1F ZINC000186581254 464026600 /nfs/dbraw/zinc/02/66/00/464026600.db2.gz HGINXAHSPNRBII-JTQLQIEISA-N 0 0 336.317 2.293 40 0 EEABRN CN(C(=O)C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC000263150009 464058684 /nfs/dbraw/zinc/05/86/84/464058684.db2.gz NOUICKXQPONWKQ-QFBILLFUSA-N 0 0 330.428 2.319 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000195530027 464071679 /nfs/dbraw/zinc/07/16/79/464071679.db2.gz JWWUBIPOMQMMQX-SOUVJXGZSA-N 0 0 339.457 2.101 40 0 EEABRN O=C(NC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1)c1cccs1 ZINC000195532312 464073378 /nfs/dbraw/zinc/07/33/78/464073378.db2.gz INVKODMKDYMQCN-INIZCTEOSA-N 0 0 344.436 2.203 40 0 EEABRN Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2c[nH]nc2C)c(C)s1 ZINC000195553827 464075710 /nfs/dbraw/zinc/07/57/10/464075710.db2.gz WDHWNFSYITYKNM-JTQLQIEISA-N 0 0 342.490 2.026 40 0 EEABRN CO[C@@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)CC[C@@H]1C ZINC000195573799 464080572 /nfs/dbraw/zinc/08/05/72/464080572.db2.gz PXAZKPXMDSDJDV-UIMAMFOWSA-N 0 0 338.473 2.002 40 0 EEABRN Cc1cc(C)cc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 ZINC000224227027 464149560 /nfs/dbraw/zinc/14/95/60/464149560.db2.gz ZHLGATPAHRKJNQ-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN CCCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225060000 464152330 /nfs/dbraw/zinc/15/23/30/464152330.db2.gz JHBXAWUPUXPMPN-UHFFFAOYSA-N 0 0 332.853 2.018 40 0 EEABRN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccs1 ZINC000225120210 464153096 /nfs/dbraw/zinc/15/30/96/464153096.db2.gz ANMDVQJOXFWNHN-UHFFFAOYSA-N 0 0 325.411 2.425 40 0 EEABRN O=C1Nc2ccccc2CC[C@H]1N1CCO[C@H](COCC2CC2)C1 ZINC000225401063 464157711 /nfs/dbraw/zinc/15/77/11/464157711.db2.gz GVGKSTHOYNYQAX-FUHWJXTLSA-N 0 0 330.428 2.067 40 0 EEABRN CN(C(=O)[C@@H](N)c1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000225463953 464162623 /nfs/dbraw/zinc/16/26/23/464162623.db2.gz KIRJJAMCKVZODE-IRXDYDNUSA-N 0 0 341.386 2.089 40 0 EEABRN O=C(NCc1ccc(-n2cccn2)nc1)[C@H](O)c1ccccc1Cl ZINC000225527379 464169066 /nfs/dbraw/zinc/16/90/66/464169066.db2.gz PEKHFYTYSTXMGE-MRXNPFEDSA-N 0 0 342.786 2.271 40 0 EEABRN Cc1nccc(N2CCN(C(=O)c3cc(Cl)cc(F)c3N)CC2)n1 ZINC000225563625 464172243 /nfs/dbraw/zinc/17/22/43/464172243.db2.gz UHPIGAJNRVBUEY-UHFFFAOYSA-N 0 0 349.797 2.122 40 0 EEABRN CCO[C@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@H](C)C1 ZINC000225713826 464182170 /nfs/dbraw/zinc/18/21/70/464182170.db2.gz IFCWUIQSWDEXKU-SCLBCKFNSA-N 0 0 334.416 2.475 40 0 EEABRN C[C@@H](CNC(=O)N(C)CC1(O)CCOCC1)c1ccc(F)cc1F ZINC000189048220 464423398 /nfs/dbraw/zinc/42/33/98/464423398.db2.gz XATSXAVWEHMGBC-LBPRGKRZSA-N 0 0 342.386 2.251 40 0 EEABRN Cc1n[nH]cc1[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000181178222 464454589 /nfs/dbraw/zinc/45/45/89/464454589.db2.gz WSBHIUZXHUSTLM-ZDUSSCGKSA-N 0 0 343.431 2.162 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)C1CCC1 ZINC000247476726 464684107 /nfs/dbraw/zinc/68/41/07/464684107.db2.gz HJFOVFNDOGDSES-MRXNPFEDSA-N 0 0 328.416 2.339 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 ZINC000247813373 464707527 /nfs/dbraw/zinc/70/75/27/464707527.db2.gz ASOKPYWAGKXKRU-INIZCTEOSA-N 0 0 347.459 2.259 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000247822835 464707609 /nfs/dbraw/zinc/70/76/09/464707609.db2.gz IESOXQFJMCJJDH-KRWDZBQOSA-N 0 0 335.444 2.156 40 0 EEABRN c1cnc(N2CC3(C2)C[C@@H](CCOCc2ccncc2)CCO3)nc1 ZINC000247877860 464711680 /nfs/dbraw/zinc/71/16/80/464711680.db2.gz PBAJBNTYPDMCGH-INIZCTEOSA-N 0 0 340.427 2.464 40 0 EEABRN CCOC[C@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000190788687 464721934 /nfs/dbraw/zinc/72/19/34/464721934.db2.gz LYSUEKVAJMCQLV-QMMMGPOBSA-N 0 0 328.166 2.074 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@H](OCc2ccccn2)CCO3)s1 ZINC000248028797 464724469 /nfs/dbraw/zinc/72/44/69/464724469.db2.gz OUVAMUWWDGWUHC-CQSZACIVSA-N 0 0 332.429 2.196 40 0 EEABRN O=C(NC[C@H]1CCCO1)[C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1 ZINC000248075718 464728099 /nfs/dbraw/zinc/72/80/99/464728099.db2.gz ZXKGJQMMPDLMLA-KBSWLIGVSA-N 0 0 341.407 2.342 40 0 EEABRN COc1ccnc(CN2CCN(c3ccncc3Cl)CC2)c1OC ZINC000190960216 464751298 /nfs/dbraw/zinc/75/12/98/464751298.db2.gz SRCQRCYGPQMMMM-UHFFFAOYSA-N 0 0 348.834 2.469 40 0 EEABRN CC[C@]1(CO)CCCN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000190982770 464756647 /nfs/dbraw/zinc/75/66/47/464756647.db2.gz PMULVWMMPNVFRC-GOSISDBHSA-N 0 0 344.415 2.226 40 0 EEABRN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000190995082 464757325 /nfs/dbraw/zinc/75/73/25/464757325.db2.gz SQXJBRVXYGUMCB-LLVKDONJSA-N 0 0 343.349 2.168 40 0 EEABRN O=C(NCCc1nc2ccccc2[nH]1)NC[C@@H]1CSCCS1 ZINC000176407909 464766904 /nfs/dbraw/zinc/76/69/04/464766904.db2.gz UNULDYZNDXAVFN-LLVKDONJSA-N 0 0 336.486 2.253 40 0 EEABRN C[C@@H](CNC(=O)N1CCOC[C@H]1C[C@H](C)O)c1ccc(F)cc1F ZINC000248762247 464798700 /nfs/dbraw/zinc/79/87/00/464798700.db2.gz WGDJKKTVBYSPDD-SGMGOOAPSA-N 0 0 342.386 2.250 40 0 EEABRN COC(=O)[C@@H](F)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000252494989 464968123 /nfs/dbraw/zinc/96/81/23/464968123.db2.gz OJXMMMYTHVLSSS-STQMWFEESA-N 0 0 333.306 2.172 40 0 EEABRN O=C(NCCc1nnc2n1CCCC2)C1(Oc2ccccc2F)CC1 ZINC000252505716 464973918 /nfs/dbraw/zinc/97/39/18/464973918.db2.gz VTECVJCHZCUWJS-UHFFFAOYSA-N 0 0 344.390 2.024 40 0 EEABRN FC(F)Oc1ccc([C@@H]2CN(CCC3OCCO3)CCO2)cc1 ZINC000253419098 465007877 /nfs/dbraw/zinc/00/78/77/465007877.db2.gz IJEIZSYGFRUJAC-AWEZNQCLSA-N 0 0 329.343 2.424 40 0 EEABRN Cc1nc([C@@H]2CN(c3nnc(Cc4ccccc4)s3)CCO2)no1 ZINC000253426632 465011131 /nfs/dbraw/zinc/01/11/31/465011131.db2.gz KQGVSLKGZAENHU-ZDUSSCGKSA-N 0 0 343.412 2.398 40 0 EEABRN CCc1ncsc1NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000253430537 465013284 /nfs/dbraw/zinc/01/32/84/465013284.db2.gz WPGNEGFRFQIRGM-UHFFFAOYSA-N 0 0 347.444 2.359 40 0 EEABRN CCc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCSC3)C2)ncn1 ZINC000253430739 465013369 /nfs/dbraw/zinc/01/33/69/465013369.db2.gz XOOHRKYPEVVVRX-ZFWWWQNUSA-N 0 0 349.504 2.060 40 0 EEABRN CN(CC(=O)OC(C)(C)C)C1CCN(c2ncc(Cl)cn2)CC1 ZINC000253433517 465015378 /nfs/dbraw/zinc/01/53/78/465015378.db2.gz XVXOIBVHCXTCQB-UHFFFAOYSA-N 0 0 340.855 2.372 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000339544572 465336101 /nfs/dbraw/zinc/33/61/01/465336101.db2.gz HEKHMTHMCSYRSY-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN COC[C@H]1CC[N@H+](CC2CC2)C2(CN(Cc3cc(C)nn3C)C2)C1 ZINC000306123018 466487371 /nfs/dbraw/zinc/48/73/71/466487371.db2.gz ACJGKIZYSGVTRD-KRWDZBQOSA-N 0 0 332.492 2.051 40 0 EEABRN c1cc2n(n1)C[C@H](CCNc1ncccn1)CN(Cc1ccncc1)C2 ZINC000306131125 466488481 /nfs/dbraw/zinc/48/84/81/466488481.db2.gz JXHKVXFPMUHWJQ-QGZVFWFLSA-N 0 0 349.442 2.202 40 0 EEABRN Fc1cnc(N2Cc3ccnn3[C@H](CCOc3cccnc3)C2)nc1 ZINC000306141786 466493311 /nfs/dbraw/zinc/49/33/11/466493311.db2.gz WGKUHGWJLXWFAG-OAHLLOKOSA-N 0 0 340.362 2.238 40 0 EEABRN CCOc1ccc(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 ZINC000390827791 467412565 /nfs/dbraw/zinc/41/25/65/467412565.db2.gz KFKKTNQSGFQZLV-OAHLLOKOSA-N 0 0 331.347 2.308 40 0 EEABRN O=S(=O)(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1 ZINC000390829884 467412721 /nfs/dbraw/zinc/41/27/21/467412721.db2.gz HHGXUHTVROIIKV-UHFFFAOYSA-N 0 0 335.756 2.353 40 0 EEABRN O=C(NCc1ccnc(OCC2CC2)c1)N[C@H]1CCCc2c[nH]nc21 ZINC000390833768 467414129 /nfs/dbraw/zinc/41/41/29/467414129.db2.gz MSMXCBXBRKSJEV-HNNXBMFYSA-N 0 0 341.415 2.470 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000575402630 468140506 /nfs/dbraw/zinc/14/05/06/468140506.db2.gz DFFDSTUKYFKJGR-NRXISQOPSA-N 0 0 336.432 2.433 40 0 EEABRN CO[C@@H]1CSC2(CN(S(=O)(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000575402613 468140558 /nfs/dbraw/zinc/14/05/58/468140558.db2.gz CTUUADBBKAUSMV-ZDUSSCGKSA-N 0 0 327.471 2.198 40 0 EEABRN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccccc2)c1 ZINC000575423107 468143470 /nfs/dbraw/zinc/14/34/70/468143470.db2.gz YFIBJNLVWNSVRS-KRWDZBQOSA-N 0 0 344.436 2.216 40 0 EEABRN CC(C)[C@H](Cn1ccnn1)NC(=O)c1ccccc1Br ZINC000575607620 468146906 /nfs/dbraw/zinc/14/69/06/468146906.db2.gz JATYKSOOTXPNTL-ZDUSSCGKSA-N 0 0 337.221 2.495 40 0 EEABRN CCOc1cccc(C(=O)N2C[C@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093143 468963371 /nfs/dbraw/zinc/96/33/71/468963371.db2.gz FASKSPGIXVDHFZ-INIZCTEOSA-N 0 0 338.354 2.073 40 0 EEABRN O=C(CCc1ccc(Cl)cc1)N1Cc2ccnn2CC[C@@H]1CO ZINC000585097177 468965062 /nfs/dbraw/zinc/96/50/62/468965062.db2.gz IFVCCZNZGGEFJT-MRXNPFEDSA-N 0 0 333.819 2.263 40 0 EEABRN O=C(NC1CCC1)C1=NOC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC000585101287 468968448 /nfs/dbraw/zinc/96/84/48/468968448.db2.gz VCAVTXMJCKRMQO-UHFFFAOYSA-N 0 0 341.411 2.106 40 0 EEABRN CC(C)OC(=O)NC[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1 ZINC000585101133 468968579 /nfs/dbraw/zinc/96/85/79/468968579.db2.gz HEGQEZLJRHCAAF-OAHLLOKOSA-N 0 0 348.447 2.377 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000585103217 468970836 /nfs/dbraw/zinc/97/08/36/468970836.db2.gz SGMWDBJVBKMXIS-XLIONFOSSA-N 0 0 344.455 2.011 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1ccco1)C2 ZINC000585110813 468973932 /nfs/dbraw/zinc/97/39/32/468973932.db2.gz KAUSRNWXXOIJJL-OAHLLOKOSA-N 0 0 328.416 2.029 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 ZINC000585111357 468975358 /nfs/dbraw/zinc/97/53/58/468975358.db2.gz QGWAYBNFXZBUBW-PWSUYJOCSA-N 0 0 335.358 2.182 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 ZINC000585141535 468989947 /nfs/dbraw/zinc/98/99/47/468989947.db2.gz CAKZMMRHAINSQG-HOTGVXAUSA-N 0 0 349.456 2.181 40 0 EEABRN Cc1cc(=NC(=O)N=c2cc(-c3ccncc3)[nH][nH]2)[nH]n1C(C)C ZINC000585141114 468990710 /nfs/dbraw/zinc/99/07/10/468990710.db2.gz PUJYYVKBSZMRIY-UHFFFAOYSA-N 0 0 325.376 2.045 40 0 EEABRN COCc1cn([C@@H]2CCN(C(=O)c3ccc(Cl)s3)C2)nn1 ZINC000585149730 468994484 /nfs/dbraw/zinc/99/44/84/468994484.db2.gz UBIVLJOUFLFPCN-SNVBAGLBSA-N 0 0 326.809 2.227 40 0 EEABRN CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2ccncc2)C1 ZINC000585269492 468997990 /nfs/dbraw/zinc/99/79/90/468997990.db2.gz WXPXYKXLWHLCMN-LJQANCHMSA-N 0 0 342.395 2.018 40 0 EEABRN COc1cc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)ccn1 ZINC000585275660 468998551 /nfs/dbraw/zinc/99/85/51/468998551.db2.gz FURXIUSUEHSEJJ-LJQANCHMSA-N 0 0 342.395 2.055 40 0 EEABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2cncc(O)c2)cc1 ZINC000585275919 469000370 /nfs/dbraw/zinc/00/03/70/469000370.db2.gz GSHUQLYIKJTCTN-ROUUACIJSA-N 0 0 326.396 2.304 40 0 EEABRN COc1ncc(CN2CC[C@@](COc3ccc(F)cc3)(OC)C2)cn1 ZINC000585275941 469001138 /nfs/dbraw/zinc/00/11/38/469001138.db2.gz GWAQVKGRYLSVFF-GOSISDBHSA-N 0 0 347.390 2.294 40 0 EEABRN CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc2oc(C)cc2c1 ZINC000585277110 469002461 /nfs/dbraw/zinc/00/24/61/469002461.db2.gz FUDSNZPYSPUWSQ-LJQANCHMSA-N 0 0 344.411 2.499 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000585278439 469002898 /nfs/dbraw/zinc/00/28/98/469002898.db2.gz SMYPKYGKOLVBGP-SFHVURJKSA-N 0 0 329.400 2.418 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585279967 469006395 /nfs/dbraw/zinc/00/63/95/469006395.db2.gz USELXORGIMNGHS-AEFFLSMTSA-N 0 0 327.428 2.021 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCCOCc2ccccc2)cc1 ZINC000223928363 485534246 /nfs/dbraw/zinc/53/42/46/485534246.db2.gz TXEBNCZJEKQIKD-UHFFFAOYSA-N 0 0 348.424 2.005 40 0 EEABRN O=C1[C@H](N2CCS(=O)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000190537385 534842298 /nfs/dbraw/zinc/84/22/98/534842298.db2.gz CEXLEESIVFPGQU-CYBMUJFWSA-N 0 0 347.267 2.163 40 0 EEABRN O=C(c1cc(F)c(Cl)cc1F)N1CCN(c2cccnn2)CC1 ZINC000134569674 526613140 /nfs/dbraw/zinc/61/31/40/526613140.db2.gz IOXQZKBBJZGQMZ-UHFFFAOYSA-N 0 0 338.745 2.371 40 0 EEABRN CCOc1cc(NC2CCN(C(=O)c3oc(C)nc3C)CC2)ncn1 ZINC000184181203 528325697 /nfs/dbraw/zinc/32/56/97/528325697.db2.gz QBMDQMFVCYJHDT-UHFFFAOYSA-N 0 0 345.403 2.197 40 0 EEABRN CCOC(=O)c1csc(C2CCN(Cc3ccnn3C)CC2)n1 ZINC000191573350 528333738 /nfs/dbraw/zinc/33/37/38/528333738.db2.gz FUQUVGXSPWZXSN-UHFFFAOYSA-N 0 0 334.445 2.433 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3cnccn3)C2)o1 ZINC000257230651 534952239 /nfs/dbraw/zinc/95/22/39/534952239.db2.gz GDGDODLWMFSTAI-ZDUSSCGKSA-N 0 0 329.404 2.322 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@@H](Cc3cnc(NC)cn3)CC2)cn1 ZINC000257227323 536025894 /nfs/dbraw/zinc/02/58/94/536025894.db2.gz FOTAFUBDKGHOSS-CQSZACIVSA-N 0 0 342.447 2.220 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)on1 ZINC000257242744 536106056 /nfs/dbraw/zinc/10/60/56/536106056.db2.gz IDYDCWAILWPBMK-MRXNPFEDSA-N 0 0 342.399 2.245 40 0 EEABRN CC[C@H](C)NC(=O)Cn1c(=O)cc(C)nc1Nc1cccc(F)c1 ZINC000057506123 1352728682 /nfs/dbraw/zinc/72/86/82/1352728682.db2.gz HWHPPYMKYXINOT-NSHDSACASA-N 0 0 332.379 2.349 40 0 EEABRN Cc1cn2nc(N[C@@H]3CCN(Cc4c(F)cncc4F)C3)ccc2n1 ZINC000930564588 1410271240 /nfs/dbraw/zinc/27/12/40/1410271240.db2.gz VWHZRGZUEHJFFH-GFCCVEGCSA-N 0 0 344.369 2.397 40 0 EEABRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@]2(CO)O1 ZINC000004701897 210253766 /nfs/dbraw/zinc/25/37/66/210253766.db2.gz YWKKQTJSTXXAPM-DCXXXQMHSA-N 0 0 347.370 2.159 40 0 EEABRN CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000054670542 214250367 /nfs/dbraw/zinc/25/03/67/214250367.db2.gz QYMOGLCVDJOXPU-LBPRGKRZSA-N 0 0 346.305 2.161 40 0 EEABRN CC(C)S(=O)(=O)CC(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000055035522 214264750 /nfs/dbraw/zinc/26/47/50/214264750.db2.gz PSFJDMBQWOJNEK-UHFFFAOYSA-N 0 0 341.473 2.302 40 0 EEABRN CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000056298733 214368374 /nfs/dbraw/zinc/36/83/74/214368374.db2.gz QVZGCKSMYDAWTH-UHFFFAOYSA-N 0 0 341.386 2.466 40 0 EEABRN CN(Cc1ccc(Br)o1)C(=O)CCc1cnn(C)c1 ZINC000056485866 214377152 /nfs/dbraw/zinc/37/71/52/214377152.db2.gz FQECRPFVJLYVQJ-UHFFFAOYSA-N 0 0 326.194 2.367 40 0 EEABRN CCc1cc(NC(=O)CCN2C(=O)COc3ccccc32)nc(C)n1 ZINC000174205042 529541763 /nfs/dbraw/zinc/54/17/63/529541763.db2.gz HAYYHGIXCADSEM-UHFFFAOYSA-N 0 0 340.383 2.102 40 0 EEABRN CCc1cnc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 ZINC000174205941 529660269 /nfs/dbraw/zinc/66/02/69/529660269.db2.gz RYWUPLMINQZUFN-UHFFFAOYSA-N 0 0 334.401 2.288 40 0 EEABRN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 ZINC000047031487 213828824 /nfs/dbraw/zinc/82/88/24/213828824.db2.gz VNJWMMNOOJWHRU-INIZCTEOSA-N 0 0 334.441 2.350 40 0 EEABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(OC)c(Cl)cc2OC)C1 ZINC000045953071 213767966 /nfs/dbraw/zinc/76/79/66/213767966.db2.gz VTZDAMNTZVSTNU-VIFPVBQESA-N 0 0 327.764 2.273 40 0 EEABRN O=C(CC1CCCC1)NC1CCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000066975497 215100341 /nfs/dbraw/zinc/10/03/41/215100341.db2.gz RDFRNJPNTYDMJP-MRXNPFEDSA-N 0 0 337.464 2.036 40 0 EEABRN Cc1nn(CN2CCN(CC(F)F)CC2)c(C)c1Br ZINC000068617509 215323755 /nfs/dbraw/zinc/32/37/55/215323755.db2.gz SGDYRSCQWDWKQC-UHFFFAOYSA-N 0 0 337.212 2.103 40 0 EEABRN COc1ccc(CNC(=O)[C@@]2(C)Oc3ccc(C)cc3NC2=O)cc1 ZINC000040778688 213386072 /nfs/dbraw/zinc/38/60/72/213386072.db2.gz JBKOORPVVLFUAK-LJQANCHMSA-N 0 0 340.379 2.410 40 0 EEABRN COc1ccc(COCC(=O)N2CCc3ccc(O)cc3[C@@H]2C)cn1 ZINC000585123813 539980413 /nfs/dbraw/zinc/98/04/13/539980413.db2.gz AERIXGIOIIREMR-ZDUSSCGKSA-N 0 0 342.395 2.458 40 0 EEABRN COCCn1ccc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O ZINC000040390885 213296441 /nfs/dbraw/zinc/29/64/41/213296441.db2.gz WSAUVKUHEDMHQW-UHFFFAOYSA-N 0 0 335.367 2.061 40 0 EEABRN CNC(=O)OCc1c(COC(=O)NC)c(C(F)(F)F)n2c1CCC2 ZINC000001557871 209759105 /nfs/dbraw/zinc/75/91/05/209759105.db2.gz COEAWFNZRAUWRR-UHFFFAOYSA-N 0 0 349.309 2.165 40 0 EEABRN COc1ccc(SCC(=O)NCCCn2ccnc2)cc1OC ZINC000038753089 213223471 /nfs/dbraw/zinc/22/34/71/213223471.db2.gz WKCCRGIYBZLWTP-UHFFFAOYSA-N 0 0 335.429 2.199 40 0 EEABRN C[C@@H](c1cccc(O)c1)N(C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000183920480 235261846 /nfs/dbraw/zinc/26/18/46/235261846.db2.gz VPTUFCVCHQGEPE-LBPRGKRZSA-N 0 0 330.359 2.481 40 0 EEABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nnn(C)n1 ZINC000000557842 209663732 /nfs/dbraw/zinc/66/37/32/209663732.db2.gz CUCZWGGJYDLPSB-ONEGZZNKSA-N 0 0 328.159 2.177 40 0 EEABRN Cc1cc(NC(=O)c2nc3ncccn3n2)n(Cc2ccc(C)cc2)n1 ZINC000036614312 213102711 /nfs/dbraw/zinc/10/27/11/213102711.db2.gz FGRABOYDYPXQIU-UHFFFAOYSA-N 0 0 347.382 2.238 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000079042357 236993194 /nfs/dbraw/zinc/99/31/94/236993194.db2.gz RPZKLBQRFCSSMJ-NWDGAFQWSA-N 0 0 347.864 2.389 40 0 EEABRN CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000000414089 209578352 /nfs/dbraw/zinc/57/83/52/209578352.db2.gz OBPKWMZTSPIWOJ-GFCCVEGCSA-N 0 0 342.436 2.141 40 0 EEABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)co2)CC1 ZINC000072322165 216149599 /nfs/dbraw/zinc/14/95/99/216149599.db2.gz QIKRWJCPKZADEW-HNNXBMFYSA-N 0 0 335.448 2.356 40 0 biogenic,in-vitro EEABRN CCc1cc2cc3c(cc2n2c(=O)n(Cc4ccncc4)nc12)OCO3 ZINC000072346883 216160968 /nfs/dbraw/zinc/16/09/68/216160968.db2.gz XAGLYRXPRNMFEZ-UHFFFAOYSA-N 0 0 348.362 2.384 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-n2ccnc2)C1 ZINC000072350632 216162552 /nfs/dbraw/zinc/16/25/52/216162552.db2.gz HLONNZVESCUKST-INIZCTEOSA-N 0 0 348.410 2.006 40 0 EEABRN CN(C)c1ncc(CN2CCC([C@@H]3CCCCN(C)C3=O)CC2)cn1 ZINC000072372006 216176831 /nfs/dbraw/zinc/17/68/31/216176831.db2.gz HNJMHGQMVQIJTN-KRWDZBQOSA-N 0 0 345.491 2.013 40 0 EEABRN Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072384580 216185674 /nfs/dbraw/zinc/18/56/74/216185674.db2.gz WLJSCWMZWCPGFW-GOSISDBHSA-N 0 0 342.374 2.174 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2ccc(Nc3ccccc3)nn2)C1 ZINC000072387111 216185952 /nfs/dbraw/zinc/18/59/52/216185952.db2.gz AOXCTTKGKLXRPT-CQSZACIVSA-N 0 0 346.456 2.434 40 0 EEABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCOC(C)C)cc1 ZINC000408706366 238297801 /nfs/dbraw/zinc/29/78/01/238297801.db2.gz HBPUOBNPOKWTOC-UHFFFAOYSA-N 0 0 342.461 2.017 40 0 EEABRN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C1=C(Cl)CCCC1 ZINC000072534994 216269869 /nfs/dbraw/zinc/26/98/69/216269869.db2.gz FRADEDCGRHTSMJ-JTQLQIEISA-N 0 0 343.836 2.248 40 0 EEABRN Nc1c(Cl)cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000131401195 223229849 /nfs/dbraw/zinc/22/98/49/223229849.db2.gz UJWOHKPSSVBLMG-MRVPVSSYSA-N 0 0 328.199 2.069 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Cl)nc1)CC2 ZINC000072687465 216294494 /nfs/dbraw/zinc/29/44/94/216294494.db2.gz MXDFJJMXURZXHV-UHFFFAOYSA-N 0 0 337.832 2.206 40 0 EEABRN Cc1noc(C)c1[C@H](C)NC(=O)NCCc1cn2c(n1)CCCC2 ZINC000073038309 216343201 /nfs/dbraw/zinc/34/32/01/216343201.db2.gz DQXXSCMSVYGFRE-NSHDSACASA-N 0 0 331.420 2.427 40 0 EEABRN Nc1nc2c(c(=O)[nH]1)[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000004944768 283691146 /nfs/dbraw/zinc/69/11/46/283691146.db2.gz JIJFTHSGJVFGLC-YFKPBYRVSA-N 0 0 325.155 2.133 40 0 EEABRN CCS(=O)(=O)c1ccccc1NC1CCN(c2ncccn2)CC1 ZINC000195576099 241023236 /nfs/dbraw/zinc/02/32/36/241023236.db2.gz WWQKMBGLPMOUNQ-UHFFFAOYSA-N 0 0 346.456 2.351 40 0 EEABRN CCc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 ZINC000211095013 241078658 /nfs/dbraw/zinc/07/86/58/241078658.db2.gz JPBRAMBTYMFTAR-UHFFFAOYSA-N 0 0 346.456 2.118 40 0 EEABRN COc1ccc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000216294864 241179748 /nfs/dbraw/zinc/17/97/48/241179748.db2.gz ATCRWVGFUNUOST-RYUDHWBXSA-N 0 0 325.430 2.480 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218615182 241334196 /nfs/dbraw/zinc/33/41/96/241334196.db2.gz CXRFJJSEEOVFIG-BZSNNMDCSA-N 0 0 349.427 2.499 40 0 EEABRN CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000225825529 242051663 /nfs/dbraw/zinc/05/16/63/242051663.db2.gz ZNIMOEHMHUXMFB-RAXLEYEMSA-N 0 0 346.408 2.282 40 0 EEABRN COCCCNC(=S)Nc1nc(Cl)cc(N2CCCCC2)n1 ZINC000225902514 242075696 /nfs/dbraw/zinc/07/56/96/242075696.db2.gz YBUTXJVBJKKNTL-UHFFFAOYSA-N 0 0 343.884 2.443 40 0 EEABRN C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCN(C)CC1 ZINC000227152534 242123130 /nfs/dbraw/zinc/12/31/30/242123130.db2.gz RQDHHXYJSRCTIV-CYBMUJFWSA-N 0 0 348.834 2.067 40 0 EEABRN Cc1nc(CNC(=O)CN2c3ccccc3CCCC2=O)cs1 ZINC000227169164 242126583 /nfs/dbraw/zinc/12/65/83/242126583.db2.gz RESOYHULWSQHLG-UHFFFAOYSA-N 0 0 329.425 2.437 40 0 EEABRN COCC1(NC(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CCC1 ZINC000241809975 243002913 /nfs/dbraw/zinc/00/29/13/243002913.db2.gz SCCJTXLPOHIBLJ-UHFFFAOYSA-N 0 0 326.418 2.089 40 0 EEABRN O=C(N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1cnccn1 ZINC000071195812 284044685 /nfs/dbraw/zinc/04/46/85/284044685.db2.gz OUNPRQWXIVJFLH-OAHLLOKOSA-N 0 0 332.367 2.136 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](OCc1cccnc1)CCO2 ZINC000248108636 243526544 /nfs/dbraw/zinc/52/65/44/243526544.db2.gz GPKKMABHCLSIKG-MRXNPFEDSA-N 0 0 341.411 2.011 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000253598390 244032817 /nfs/dbraw/zinc/03/28/17/244032817.db2.gz KCNXFZKKLIJUCI-CABCVRRESA-N 0 0 341.436 2.467 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)c2cnc(C)nc2C)CCN1C ZINC000257204902 244130294 /nfs/dbraw/zinc/13/02/94/244130294.db2.gz AWUMPJQGKAZUOL-QGZVFWFLSA-N 0 0 340.427 2.231 40 0 EEABRN O=c1cc(C[C@H]2COCCN(Cc3cc(F)ccc3F)C2)nc[nH]1 ZINC000257204458 244130798 /nfs/dbraw/zinc/13/07/98/244130798.db2.gz AURWMFHNYDPQTO-GFCCVEGCSA-N 0 0 335.354 2.152 40 0 EEABRN O=C(c1c[nH]cn1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257219709 244177064 /nfs/dbraw/zinc/17/70/64/244177064.db2.gz DHUTXUVOJUGDGM-WMZOPIPTSA-N 0 0 327.384 2.000 40 0 EEABRN O=S(=O)(c1cccnc1)N1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257217460 244170655 /nfs/dbraw/zinc/17/06/55/244170655.db2.gz CZBCOVXYNPEKGX-IIDMSEBBSA-N 0 0 343.452 2.366 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)C2CCCC2)C1 ZINC000257224618 244193932 /nfs/dbraw/zinc/19/39/32/244193932.db2.gz FCPAIXOUNHVBOY-CYBMUJFWSA-N 0 0 338.477 2.045 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257243580 244250065 /nfs/dbraw/zinc/25/00/65/244250065.db2.gz IHPXJVQXEFVPQG-QGZVFWFLSA-N 0 0 325.412 2.349 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1C ZINC000257243938 244250146 /nfs/dbraw/zinc/25/01/46/244250146.db2.gz IJEVXXRNBLKOBR-OAHLLOKOSA-N 0 0 335.448 2.056 40 0 EEABRN Cc1cncc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257243577 244250172 /nfs/dbraw/zinc/25/01/72/244250172.db2.gz IHPWKYAVYAEOQP-CQSZACIVSA-N 0 0 338.411 2.394 40 0 EEABRN O=C(N1CCO[C@H](c2cnccn2)C1)C1(c2ccccc2F)CC1 ZINC000257234575 244223901 /nfs/dbraw/zinc/22/39/01/244223901.db2.gz GUEXUWHLWRTITD-INIZCTEOSA-N 0 0 327.359 2.247 40 0 EEABRN CCn1cc(CN2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257246835 244257737 /nfs/dbraw/zinc/25/77/37/244257737.db2.gz IWAHRQYRMNRDDG-SFHVURJKSA-N 0 0 327.432 2.271 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC(c2cnccn2)CC1 ZINC000257256400 244282445 /nfs/dbraw/zinc/28/24/45/244282445.db2.gz KLIHXLUORKORRG-UHFFFAOYSA-N 0 0 334.383 2.282 40 0 EEABRN C[C@]1(c2ncc(CNC(=O)c3n[nH]c4c3CCC4)cn2)CCCCO1 ZINC000257259309 244291792 /nfs/dbraw/zinc/29/17/92/244291792.db2.gz KXTHIBKSPUXPIG-GOSISDBHSA-N 0 0 341.415 2.034 40 0 EEABRN Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000257266167 244361656 /nfs/dbraw/zinc/36/16/56/244361656.db2.gz MBVOQSKBQODMLZ-SNVBAGLBSA-N 0 0 327.356 2.175 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257265749 244361898 /nfs/dbraw/zinc/36/18/98/244361898.db2.gz MACHIILZMOSVLN-MRXNPFEDSA-N 0 0 345.374 2.455 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@H]2CCCN(c3ccncn3)C2)n1C ZINC000257266302 244362037 /nfs/dbraw/zinc/36/20/37/244362037.db2.gz MCIZUECQSZBFKE-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2ccco2)c1 ZINC000257272715 244384324 /nfs/dbraw/zinc/38/43/24/244384324.db2.gz NDMXTEJBDHLKGK-UHFFFAOYSA-N 0 0 338.367 2.031 40 0 EEABRN CCN(C)C(=O)[C@@H]1CC(=O)N(CC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000257273107 244384328 /nfs/dbraw/zinc/38/43/28/244384328.db2.gz NFHLBJAIWQBVCM-DYVFJYSZSA-N 0 0 334.416 2.092 40 0 EEABRN Cn1cnc2cc(C(=O)N3CC[C@H](C(=O)Nc4ccccn4)C3)ccc21 ZINC000019747728 212061392 /nfs/dbraw/zinc/06/13/92/212061392.db2.gz QQHCEVXOOKIOFJ-AWEZNQCLSA-N 0 0 349.394 2.069 40 0 EEABRN COc1ccc(OC)c([C@H](O)CN2CCN(c3nccs3)CC2)c1 ZINC000019551184 212041540 /nfs/dbraw/zinc/04/15/40/212041540.db2.gz PKCSVRAAGLHPFN-OAHLLOKOSA-N 0 0 349.456 2.016 40 0 EEABRN O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000019293087 212013242 /nfs/dbraw/zinc/01/32/42/212013242.db2.gz UWQNTURJGCORIF-LBPRGKRZSA-N 0 0 331.391 2.375 40 0 EEABRN COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc(C)cc(=O)[nH]1 ZINC000019118120 212000564 /nfs/dbraw/zinc/00/05/64/212000564.db2.gz WHAIEFGYBVUIGD-ZDUSSCGKSA-N 0 0 343.383 2.242 40 0 EEABRN Cc1ccc(-c2noc([C@@H]3CCN3C(=O)c3ccn(C)n3)n2)s1 ZINC000019217554 212005483 /nfs/dbraw/zinc/00/54/83/212005483.db2.gz QXQDFQLMFXRUSU-NSHDSACASA-N 0 0 329.385 2.427 40 0 EEABRN CCOC(=O)c1cccc(NC(=O)C2(C(=O)NC3CC3)CCC2)c1 ZINC000078498192 217063187 /nfs/dbraw/zinc/06/31/87/217063187.db2.gz PHWZNTZCUSKZAF-UHFFFAOYSA-N 0 0 330.384 2.251 40 0 EEABRN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC)C2)c(C)c1 ZINC000078498485 217063291 /nfs/dbraw/zinc/06/32/91/217063291.db2.gz VHZUCNYVBVOIMF-CYBMUJFWSA-N 0 0 334.372 2.199 40 0 EEABRN CNS(=O)(=O)Cc1ccc(CNc2ccc(Cl)cn2)cc1 ZINC000078627760 217092312 /nfs/dbraw/zinc/09/23/12/217092312.db2.gz BFMBBKZOUBNOJD-UHFFFAOYSA-N 0 0 325.821 2.396 40 0 EEABRN Cn1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000078664854 217098494 /nfs/dbraw/zinc/09/84/94/217098494.db2.gz LYZLMWXEEYTJIR-NSHDSACASA-N 0 0 328.294 2.294 40 0 EEABRN COc1ccc(-c2noc(C3CCN(C(=O)N(C)C)CC3)n2)cn1 ZINC000078774760 217118682 /nfs/dbraw/zinc/11/86/82/217118682.db2.gz YDNXTSXHQQCZDB-UHFFFAOYSA-N 0 0 331.376 2.001 40 0 EEABRN C[C@H]1COC2(CCN(C(=O)c3cncc(Br)c3)CC2)O1 ZINC000078845824 217133772 /nfs/dbraw/zinc/13/37/72/217133772.db2.gz ZIHNMHTVZKHFGZ-JTQLQIEISA-N 0 0 341.205 2.212 40 0 EEABRN CCCN(CCCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000079027991 217176946 /nfs/dbraw/zinc/17/69/46/217176946.db2.gz TVLYUSACDGQYCK-UHFFFAOYSA-N 0 0 346.880 2.425 40 0 EEABRN CSc1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)o1 ZINC000078999421 217171175 /nfs/dbraw/zinc/17/11/75/217171175.db2.gz COPUVFJYAXSJOR-UHFFFAOYSA-N 0 0 345.424 2.431 40 0 EEABRN Cc1nc(CN2CCN(C(=O)C(C)(C)c3ccccc3F)CC2)no1 ZINC000079001581 217172529 /nfs/dbraw/zinc/17/25/29/217172529.db2.gz WRQQOOWKEDSOQO-UHFFFAOYSA-N 0 0 346.406 2.139 40 0 EEABRN Cc1cc(C)n(CC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)n1 ZINC000079363174 217215777 /nfs/dbraw/zinc/21/57/77/217215777.db2.gz FREUMBUXQAHGGP-OAHLLOKOSA-N 0 0 336.386 2.197 40 0 EEABRN CCc1nc(CCNC(=O)N[C@@H]2CCCn3nc(C)nc32)sc1C ZINC000083717599 217553151 /nfs/dbraw/zinc/55/31/51/217553151.db2.gz OKXMFNWDDHGTFQ-CYBMUJFWSA-N 0 0 348.476 2.291 40 0 EEABRN Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)C(C)C)cc2)n1 ZINC000012337757 211351021 /nfs/dbraw/zinc/35/10/21/211351021.db2.gz FWFOVYPAAHAPGM-UHFFFAOYSA-N 0 0 340.427 2.426 40 0 EEABRN O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccco1 ZINC000012326122 211349535 /nfs/dbraw/zinc/34/95/35/211349535.db2.gz NKVBDHIYRASPLP-UHFFFAOYSA-N 0 0 332.375 2.132 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@@H](n2nnc3cc(F)ccc32)C1 ZINC000012184830 211311613 /nfs/dbraw/zinc/31/16/13/211311613.db2.gz MTOYJAXNMOTDNZ-LLVKDONJSA-N 0 0 346.391 2.208 40 0 EEABRN O=C(NCCc1nnc(-c2cccnc2)[nH]1)c1nccc2ccccc21 ZINC000012114793 211293806 /nfs/dbraw/zinc/29/38/06/211293806.db2.gz VOWBQKPJLOMPTM-UHFFFAOYSA-N 0 0 344.378 2.387 40 0 EEABRN Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000012146630 211306694 /nfs/dbraw/zinc/30/66/94/211306694.db2.gz RANIKAIZILINHU-UHFFFAOYSA-N 0 0 346.293 2.002 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000010673357 211185575 /nfs/dbraw/zinc/18/55/75/211185575.db2.gz CRKLFAKUDCNHSM-AWEZNQCLSA-N 0 0 342.395 2.469 40 0 EEABRN CNC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 ZINC000009897552 211132312 /nfs/dbraw/zinc/13/23/12/211132312.db2.gz QKNCOVHVSVYYKN-UHFFFAOYSA-N 0 0 342.424 2.348 40 0 EEABRN COc1ccc(Br)c(CO)c1OCC(=O)NC(C)(C)C ZINC000095095091 218280521 /nfs/dbraw/zinc/28/05/21/218280521.db2.gz LDNRDKNLTFPSJK-UHFFFAOYSA-N 0 0 346.221 2.244 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000095412329 218349926 /nfs/dbraw/zinc/34/99/26/218349926.db2.gz MLPPURPJABEPQY-MRXNPFEDSA-N 0 0 341.411 2.325 40 0 EEABRN CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000095437000 218380661 /nfs/dbraw/zinc/38/06/61/218380661.db2.gz ULAHCMOCNLTYAH-OBEAKCLQSA-N 0 0 346.537 2.409 40 0 EEABRN C[C@@H]1OCC[C@@H]1NC(=O)NCCc1nc2cc(Cl)ccc2n1C ZINC000095448754 218392999 /nfs/dbraw/zinc/39/29/99/218392999.db2.gz HXDUMHAMSQRBSE-JQWIXIFHSA-N 0 0 336.823 2.246 40 0 EEABRN Cn1ccc(C(=O)N[C@H]2CCC23CCN(C(=O)c2ccco2)CC3)c1 ZINC000096051705 218543188 /nfs/dbraw/zinc/54/31/88/218543188.db2.gz GGQZDJQGCQLHKK-INIZCTEOSA-N 0 0 341.411 2.433 40 0 EEABRN c1ccc(COC[C@@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)nc1 ZINC000096064653 218559078 /nfs/dbraw/zinc/55/90/78/218559078.db2.gz ODYAYDOSCBAXOT-ULQDDVLXSA-N 0 0 326.400 2.215 40 0 EEABRN F[C@@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112134 218608579 /nfs/dbraw/zinc/60/85/79/218608579.db2.gz MIDFHCTTYKNPKD-MFKMUULPSA-N 0 0 333.392 2.154 40 0 biogenic,in-vitro EEABRN O=C(c1cccc(F)c1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159525 218635357 /nfs/dbraw/zinc/63/53/57/218635357.db2.gz BSKVOKORMPERBI-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)nc1 ZINC000096181734 218643560 /nfs/dbraw/zinc/64/35/60/218643560.db2.gz QCRBNBYNYWMDER-DLBZAZTESA-N 0 0 343.358 2.066 40 0 EEABRN O=C1N2CCN=C2c2cnn(-c3ccccc3)c2N1Cc1cccnc1 ZINC000072347695 296354217 /nfs/dbraw/zinc/35/42/17/296354217.db2.gz HRYSDFOHSXUKLF-UHFFFAOYSA-N 0 0 344.378 2.470 40 0 EEABRN O=S(=O)(c1cccnc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000096428608 218801346 /nfs/dbraw/zinc/80/13/46/218801346.db2.gz HBCNRPRSZZLCHU-MRXNPFEDSA-N 0 0 332.425 2.309 40 0 EEABRN CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@H]2CO)sc1C ZINC000096448373 218831358 /nfs/dbraw/zinc/83/13/58/218831358.db2.gz BSDWJDWIZIDCET-GXTWGEPZSA-N 0 0 325.478 2.407 40 0 EEABRN CN(C)c1ccc(Cl)cc1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000096452241 218836064 /nfs/dbraw/zinc/83/60/64/218836064.db2.gz IMLVPLKPUYXDHG-NSHDSACASA-N 0 0 336.823 2.291 40 0 EEABRN O=C(Cn1cc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cn1)NC1CCCC1 ZINC000096462432 218844939 /nfs/dbraw/zinc/84/49/39/218844939.db2.gz ARAWSZYULNSBJL-KBPBESRZSA-N 0 0 345.447 2.206 40 0 EEABRN O=c1c(Br)cncn1Cc1nnc(-c2cccs2)o1 ZINC000096472089 218850340 /nfs/dbraw/zinc/85/03/40/218850340.db2.gz ZSIZYQHJGMRUDK-UHFFFAOYSA-N 0 0 339.174 2.166 40 0 EEABRN C[C@H](NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 ZINC000096486326 218863352 /nfs/dbraw/zinc/86/33/52/218863352.db2.gz QZVYCVUHOBYGBC-QWHCGFSZSA-N 0 0 332.379 2.236 40 0 EEABRN COCCS(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000096492818 218869574 /nfs/dbraw/zinc/86/95/74/218869574.db2.gz SZIYECMJZGQHJJ-UHFFFAOYSA-N 0 0 331.397 2.414 40 0 EEABRN Nc1c(N=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000004945813 210336375 /nfs/dbraw/zinc/33/63/75/210336375.db2.gz CWTBGRYEGHIBTA-UHFFFAOYSA-N 0 0 336.351 2.087 40 0 EEABRN Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1 ZINC000004890035 210312778 /nfs/dbraw/zinc/31/27/78/210312778.db2.gz ZJAWTUJJAZJEIA-UHFFFAOYSA-N 0 0 332.429 2.408 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000187196616 533143548 /nfs/dbraw/zinc/14/35/48/533143548.db2.gz FRHYOGFDHLKXLU-STQMWFEESA-N 0 0 329.404 2.464 40 0 EEABRN O=C([O-])c1cn(C2CC2)c2cc(Cl)c(N3CC[NH2+]CC3)cc2c1=O ZINC000034529224 304274399 /nfs/dbraw/zinc/27/43/99/304274399.db2.gz CMKOKYODRILRKU-UHFFFAOYSA-N 0 0 347.802 2.098 40 0 in-vitro EEABRN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687753 256160581 /nfs/dbraw/zinc/16/05/81/256160581.db2.gz JDFPUWGFIUGYGR-LYRGGWFBSA-N 0 0 334.370 2.284 40 0 EEABRN Cc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409208922 257874278 /nfs/dbraw/zinc/87/42/78/257874278.db2.gz AUTHPJQTONVDEE-RIYZIHGNSA-N 0 0 343.314 2.259 40 0 EEABRN Cc1nc(C(C)(C)NS(=O)(=O)c2c(C)n(C)c3ccccc32)no1 ZINC000330032564 258002959 /nfs/dbraw/zinc/00/29/59/258002959.db2.gz PFWOEYVSAWBNBM-UHFFFAOYSA-N 0 0 348.428 2.392 40 0 EEABRN CCc1cc(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)nc(C)n1 ZINC000174220543 258071853 /nfs/dbraw/zinc/07/18/53/258071853.db2.gz KUTRMTHIWJBVGG-NSHDSACASA-N 0 0 340.383 2.100 40 0 EEABRN C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000174338377 159802851 /nfs/dbraw/zinc/80/28/51/159802851.db2.gz HFAPLVLRQVLHAO-KBPBESRZSA-N 0 0 338.411 2.340 40 0 EEABRN C[C@@H](CN1CCOCC1)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000077497506 286848887 /nfs/dbraw/zinc/84/88/87/286848887.db2.gz WKNIXKOLYSFDPO-LBPRGKRZSA-N 0 0 340.855 2.248 40 0 EEABRN O=C([C@H]1Cc2ccccc2O1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194614677 304471178 /nfs/dbraw/zinc/47/11/78/304471178.db2.gz LLSIFGOWGUHCJY-FUHWJXTLSA-N 0 0 336.391 2.080 40 0 EEABRN C[C@@]1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCC[C@@H]1O ZINC000096450851 278123285 /nfs/dbraw/zinc/12/32/85/278123285.db2.gz DVKDSKGHPOJEOR-LRDDRELGSA-N 0 0 332.429 2.271 40 0 EEABRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCCNC1=O ZINC000096466689 278574613 /nfs/dbraw/zinc/57/46/13/278574613.db2.gz DUZCUZAVQFVCSQ-OAHLLOKOSA-N 0 0 340.427 2.178 40 0 EEABRN CN(C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C1CCC1 ZINC000074174896 288863035 /nfs/dbraw/zinc/86/30/35/288863035.db2.gz FGDVVHGJSRGLSF-QGZVFWFLSA-N 0 0 331.460 2.124 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407537 289008316 /nfs/dbraw/zinc/00/83/16/289008316.db2.gz JFOSKHIGWYQJQM-CWSCBRNRSA-N 0 0 340.395 2.058 40 0 EEABRN CN(C)Cc1cncc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257278276 289226785 /nfs/dbraw/zinc/22/67/85/289226785.db2.gz OBOGJYQRJMMVSH-QGZVFWFLSA-N 0 0 346.475 2.287 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000195296918 295107825 /nfs/dbraw/zinc/10/78/25/295107825.db2.gz OLHBIFSDAOLGQC-GLQYFDAESA-N 0 0 325.430 2.095 40 0 EEABRN NC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc3ccccn3c2)n[nH]1 ZINC000225556377 295173643 /nfs/dbraw/zinc/17/36/43/295173643.db2.gz QYIQBYFPYCCXMZ-MRXNPFEDSA-N 0 0 337.383 2.129 40 0 EEABRN NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000257307803 295194629 /nfs/dbraw/zinc/19/46/29/295194629.db2.gz TUENTYDLIULFOH-HNNXBMFYSA-N 0 0 349.394 2.196 40 0 EEABRN Cc1noc([C@H]2COCCN2Cc2nc(C(F)(F)F)cs2)n1 ZINC000097096373 323320408 /nfs/dbraw/zinc/32/04/08/323320408.db2.gz RSPGDMXPGLFNPA-MRVPVSSYSA-N 0 0 334.323 2.427 40 0 EEABRN Cn1cccc1[C@H]1COCCN1Cc1nnc(-c2ccccc2)n1C ZINC000131658830 323329292 /nfs/dbraw/zinc/32/92/92/323329292.db2.gz JKNUQUOGHLSDAP-QGZVFWFLSA-N 0 0 337.427 2.394 40 0 EEABRN O=C(Nc1ccc(N2CCCCC2)c2ncccc12)[C@@H]1CCC(=O)N1 ZINC000390834048 323545797 /nfs/dbraw/zinc/54/57/97/323545797.db2.gz QXRXTCSBBBYPNI-HNNXBMFYSA-N 0 0 338.411 2.442 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000252487197 464965745 /nfs/dbraw/zinc/96/57/45/464965745.db2.gz ULAHCMOCNLTYAH-RTYDYXAVSA-N 0 0 346.537 2.409 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@H]1CSc2ncc(C)c(=O)n2C1 ZINC000085473716 462550376 /nfs/dbraw/zinc/55/03/76/462550376.db2.gz JOQWDAMGHODHAQ-GFCCVEGCSA-N 0 0 345.424 2.229 40 0 EEABRN COc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 ZINC000000379618 462557697 /nfs/dbraw/zinc/55/76/97/462557697.db2.gz OKOTWBHVTGEUKI-UHFFFAOYSA-N 0 0 334.397 2.100 40 0 EEABRN CCn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000557592 462570579 /nfs/dbraw/zinc/57/05/79/462570579.db2.gz MRYIDWYZJLVLPW-UHFFFAOYSA-N 0 0 345.215 2.127 40 0 EEABRN COC(=O)CSc1nnc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000000904322 462574253 /nfs/dbraw/zinc/57/42/53/462574253.db2.gz CAUBZUHYYZRLGD-ZDUSSCGKSA-N 0 0 333.413 2.389 40 0 EEABRN CC(C)NC(=O)N[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001447093 462582418 /nfs/dbraw/zinc/58/24/18/462582418.db2.gz FIRQVBSMWDQVMU-ZDUSSCGKSA-N 0 0 345.852 2.158 40 0 EEABRN Cc1cccc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)c1C ZINC000113961769 462618992 /nfs/dbraw/zinc/61/89/92/462618992.db2.gz YXDIRKNGJUGEFE-UHFFFAOYSA-N 0 0 338.473 2.472 40 0 EEABRN C[C@H](CO)CS[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000074785416 462635389 /nfs/dbraw/zinc/63/53/89/462635389.db2.gz DQBGCQGVSOWQHU-HQJQHLMTSA-N 0 0 336.226 2.476 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cn1 ZINC000074972885 462660058 /nfs/dbraw/zinc/66/00/58/462660058.db2.gz NHMHNEBFSLYSKY-CYBMUJFWSA-N 0 0 345.428 2.128 40 0 EEABRN COc1ccc(CNC(=O)COc2cc(OC)cc(OC)c2)cc1 ZINC000005497235 462662199 /nfs/dbraw/zinc/66/21/99/462662199.db2.gz CVZZXYDYKPIFON-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN C[C@@H](C(=O)NC(C)(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006200703 462680093 /nfs/dbraw/zinc/68/00/93/462680093.db2.gz ITTHQVUJXGEMEW-JTQLQIEISA-N 0 0 332.853 2.409 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NCCC2CCCC2)cc1OC ZINC000008164142 462770211 /nfs/dbraw/zinc/77/02/11/462770211.db2.gz GRQRBTIKRCJAJD-UHFFFAOYSA-N 0 0 348.443 2.059 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000008223254 462774366 /nfs/dbraw/zinc/77/43/66/462774366.db2.gz VNQAHIBORSJHTD-LLVKDONJSA-N 0 0 344.864 2.456 40 0 EEABRN COc1ccc(CN2C(=O)[C@H](C)NC2=S)cc1Br ZINC000065590519 462804034 /nfs/dbraw/zinc/80/40/34/462804034.db2.gz BWJLUILIKWUCJI-ZETCQYMHSA-N 0 0 329.219 2.063 40 0 EEABRN CCCNC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010328499 462817056 /nfs/dbraw/zinc/81/70/56/462817056.db2.gz UUBMDAFGBVZVPQ-JTQLQIEISA-N 0 0 348.852 2.029 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)sc1C ZINC000091037221 462822891 /nfs/dbraw/zinc/82/28/91/462822891.db2.gz WFOXKNOERUQCJJ-UHFFFAOYSA-N 0 0 340.470 2.464 40 0 EEABRN CC[C@H](NC(=O)NCc1nnnn1C1CC1)c1cc(F)ccc1F ZINC000076207780 462823400 /nfs/dbraw/zinc/82/34/00/462823400.db2.gz FDWZXQGZIBIUOK-ZDUSSCGKSA-N 0 0 336.346 2.237 40 0 EEABRN Nc1nccnc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091155014 462842178 /nfs/dbraw/zinc/84/21/78/462842178.db2.gz QIWGSPTWQZCQKY-DGCLKSJQSA-N 0 0 336.754 2.111 40 0 EEABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1OC ZINC000013581315 462896035 /nfs/dbraw/zinc/89/60/35/462896035.db2.gz ZBGPKOBDTFRAHY-UHFFFAOYSA-N 0 0 342.461 2.254 40 0 EEABRN CCn1cc(S(=O)(=O)NC2(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000013999962 462907365 /nfs/dbraw/zinc/90/73/65/462907365.db2.gz LQYAUYRFCAKIPD-UHFFFAOYSA-N 0 0 335.429 2.188 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N(C)CC[C@H](C)O ZINC000133392271 462926150 /nfs/dbraw/zinc/92/61/50/462926150.db2.gz DGDXIPXJDLCXRM-JTQLQIEISA-N 0 0 336.251 2.149 40 0 EEABRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ncc[nH]3)n2)cc1F ZINC000015674344 462959986 /nfs/dbraw/zinc/95/99/86/462959986.db2.gz WAHWJVZZIYZKPJ-OCCSQVGLSA-N 0 0 343.362 2.215 40 0 biogenic,in-vitro EEABRN c1cnc(-c2cnc(NC[C@H]3CCCO3)nc2[C@@H]2CCCO2)cn1 ZINC000019403772 463017203 /nfs/dbraw/zinc/01/72/03/463017203.db2.gz KYYRMECDLHTKRK-DOMZBBRYSA-N 0 0 327.388 2.376 40 0 EEABRN Cc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1 ZINC000019946212 463022894 /nfs/dbraw/zinc/02/28/94/463022894.db2.gz RGZXOBSIGZKZCZ-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN Cc1ccc([C@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000095101331 463067255 /nfs/dbraw/zinc/06/72/55/463067255.db2.gz DKXOTTPAYPGLTE-URLQWDBASA-N 0 0 344.411 2.431 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@H]1C ZINC000095947103 463111167 /nfs/dbraw/zinc/11/11/67/463111167.db2.gz VCQJLYGZFMTEHX-XJKSGUPXSA-N 0 0 343.427 2.342 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1OC)C2 ZINC000096039287 463143573 /nfs/dbraw/zinc/14/35/73/463143573.db2.gz MKALHGJYRFOKOR-IEBWSBKVSA-N 0 0 349.427 2.118 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096039040 463144014 /nfs/dbraw/zinc/14/40/14/463144014.db2.gz QRCSWIIKJRWRNV-MJGOQNOKSA-N 0 0 333.428 2.282 40 0 EEABRN O=C(Cc1ccccn1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039864 463145199 /nfs/dbraw/zinc/14/51/99/463145199.db2.gz PYSVFNIGDZUPSF-UYAOXDASSA-N 0 0 344.455 2.448 40 0 EEABRN CCn1ncc2c1CN(C(=O)c1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096044584 463149037 /nfs/dbraw/zinc/14/90/37/463149037.db2.gz QDXBHDHTVGFIQY-ZDUSSCGKSA-N 0 0 343.383 2.018 40 0 EEABRN c1csc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048345 463151836 /nfs/dbraw/zinc/15/18/36/463151836.db2.gz IIUIXBJWAOMLND-BBRMVZONSA-N 0 0 331.445 2.169 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096075426 463168344 /nfs/dbraw/zinc/16/83/44/463168344.db2.gz SFQYIQRNWXEWIM-QGZVFWFLSA-N 0 0 342.439 2.349 40 0 EEABRN CSc1ccc([C@@H](O)CNS(=O)(=O)c2cccs2)cc1 ZINC000096103187 463174087 /nfs/dbraw/zinc/17/40/87/463174087.db2.gz RZAFODTYTJQUPJ-LBPRGKRZSA-N 0 0 329.468 2.482 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123336 463182623 /nfs/dbraw/zinc/18/26/23/463182623.db2.gz NZNDPHVUIIMMGQ-SJCJKPOMSA-N 0 0 343.383 2.402 40 0 EEABRN Fc1cnc(N2CCC3(CC2)CN(Cc2ccoc2)CCO3)nc1 ZINC000096158818 463190202 /nfs/dbraw/zinc/19/02/02/463190202.db2.gz VWCLMWXKIULJNM-UHFFFAOYSA-N 0 0 332.379 2.080 40 0 EEABRN O=C(NCc1cccnc1)c1nnn(Cc2ccccc2)c1Cl ZINC000096183310 463194807 /nfs/dbraw/zinc/19/48/07/463194807.db2.gz RPVWLEDGRRCCIT-UHFFFAOYSA-N 0 0 327.775 2.305 40 0 EEABRN O=C(C1=CCCC1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187178 463198661 /nfs/dbraw/zinc/19/86/61/463198661.db2.gz ZBOADOZPUVHLDH-SQNIBIBYSA-N 0 0 328.412 2.467 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCc3ccncc3)CC[C@@H]21 ZINC000096186780 463199415 /nfs/dbraw/zinc/19/94/15/463199415.db2.gz FMNQSSDQFVLFKJ-SQNIBIBYSA-N 0 0 342.443 2.154 40 0 EEABRN O=C1CCCN1C[C@H]1Cn2ccnc2CN(Cc2cccc(F)c2)C1 ZINC000096188458 463200632 /nfs/dbraw/zinc/20/06/32/463200632.db2.gz XHSDGRTZBKFSDO-MRXNPFEDSA-N 0 0 342.418 2.277 40 0 EEABRN C[C@]1(C(=O)Nc2cccc(C(N)=O)c2)CC(c2cccc(F)c2)=NO1 ZINC000096192950 463201068 /nfs/dbraw/zinc/20/10/68/463201068.db2.gz KUOHNQUQSUJYNY-GOSISDBHSA-N 0 0 341.342 2.446 40 0 EEABRN O=C([C@H]1CCCO1)N1CCN(Cc2cccnc2)c2ncccc2C1 ZINC000096198954 463204376 /nfs/dbraw/zinc/20/43/76/463204376.db2.gz JMYLLWFYWPSCLP-QGZVFWFLSA-N 0 0 338.411 2.004 40 0 EEABRN CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000079311053 463205411 /nfs/dbraw/zinc/20/54/11/463205411.db2.gz YBHHHOVBHBGBDU-KRWDZBQOSA-N 0 0 333.395 2.496 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](OC)[C@H]3OCC[C@@H]32)cc1Cl ZINC000096220385 463217593 /nfs/dbraw/zinc/21/75/93/463217593.db2.gz UWRGCPADMILARA-QEJZJMRPSA-N 0 0 325.792 2.367 40 0 EEABRN Cc1nnc(N2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096220201 463218148 /nfs/dbraw/zinc/21/81/48/463218148.db2.gz HVHIHOIKIJPSQK-AWEZNQCLSA-N 0 0 332.429 2.448 40 0 EEABRN Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096226106 463221492 /nfs/dbraw/zinc/22/14/92/463221492.db2.gz HYRQBHFXKOWIKP-GOSISDBHSA-N 0 0 340.383 2.343 40 0 EEABRN Cc1noc(C)c1CN1C[C@@]2(CCN(c3ccccn3)C2)CC1=O ZINC000096239395 463224308 /nfs/dbraw/zinc/22/43/08/463224308.db2.gz GCSFAKDQZDPZBI-SFHVURJKSA-N 0 0 326.400 2.315 40 0 EEABRN O=C(NCCNC(=O)c1ccco1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000096405558 463239169 /nfs/dbraw/zinc/23/91/69/463239169.db2.gz WJYYUAYQVLZBQS-CABCVRRESA-N 0 0 327.384 2.112 40 0 EEABRN C[C@@H](NC(=O)N(C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000096406909 463240247 /nfs/dbraw/zinc/24/02/47/463240247.db2.gz KEDBRWYUCIQCCZ-GFCCVEGCSA-N 0 0 326.360 2.158 40 0 EEABRN Cc1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n(C)n1 ZINC000096406610 463240675 /nfs/dbraw/zinc/24/06/75/463240675.db2.gz XJRWYODHGGSCAK-UHFFFAOYSA-N 0 0 346.406 2.350 40 0 EEABRN C[C@@H](NC(=O)C1CCC1)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407893 463241425 /nfs/dbraw/zinc/24/14/25/463241425.db2.gz XBXZCOWAYIXJRH-CXAGYDPISA-N 0 0 346.471 2.439 40 0 EEABRN CCOc1cc(C(=O)NCc2cccnc2-n2ccnc2C)ccn1 ZINC000096410053 463242636 /nfs/dbraw/zinc/24/26/36/463242636.db2.gz DUSZDPVPOZVSNK-UHFFFAOYSA-N 0 0 337.383 2.299 40 0 EEABRN Cc1oc2ncnc(NC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)c2c1C ZINC000096410946 463243862 /nfs/dbraw/zinc/24/38/62/463243862.db2.gz PMTHZKNWYKYKBE-GFCCVEGCSA-N 0 0 328.372 2.037 40 0 EEABRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000096410968 463244214 /nfs/dbraw/zinc/24/42/14/463244214.db2.gz NWBXWYJFMULQAI-SJORKVTESA-N 0 0 349.394 2.015 40 0 EEABRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(N)=O)cc2)o1 ZINC000096412794 463245297 /nfs/dbraw/zinc/24/52/97/463245297.db2.gz NQWUEIIDQMGNAR-HNNXBMFYSA-N 0 0 328.368 2.155 40 0 EEABRN O=C(CCCc1cccs1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414041 463246847 /nfs/dbraw/zinc/24/68/47/463246847.db2.gz RINLLHABKNJQIQ-SNVBAGLBSA-N 0 0 334.363 2.350 40 0 EEABRN COc1ccc(C(=O)N2CCN(CCc3scnc3C)CC2)cc1 ZINC000096414820 463247060 /nfs/dbraw/zinc/24/70/60/463247060.db2.gz YVYQLQSNEAKJCV-UHFFFAOYSA-N 0 0 345.468 2.461 40 0 EEABRN COc1ccc(Br)c(NC(=O)N[C@@H]2CCC[C@@H]2O)c1 ZINC000096415862 463248348 /nfs/dbraw/zinc/24/83/48/463248348.db2.gz HOHDFFKHYVFMME-PWSUYJOCSA-N 0 0 329.194 2.493 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)Nc1cc(CCc2ccccc2)[nH]n1 ZINC000096419309 463250150 /nfs/dbraw/zinc/25/01/50/463250150.db2.gz ZFWHOTJMVVCVAG-UHFFFAOYSA-N 0 0 328.416 2.296 40 0 EEABRN COc1cccc(Cn2nnc(CN(C)C(=O)c3ccccc3)n2)c1 ZINC000096418315 463250528 /nfs/dbraw/zinc/25/05/28/463250528.db2.gz VSXJBLJJPOVLOF-UHFFFAOYSA-N 0 0 337.383 2.002 40 0 EEABRN CCc1cc(CNC(=O)NC[C@H](C)N2CCc3ccccc32)on1 ZINC000096421430 463252761 /nfs/dbraw/zinc/25/27/61/463252761.db2.gz XYXPGPOPNPWLEL-ZDUSSCGKSA-N 0 0 328.416 2.487 40 0 EEABRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccn[nH]1 ZINC000096423094 463254016 /nfs/dbraw/zinc/25/40/16/463254016.db2.gz QBMBEBXDATVADY-UHFFFAOYSA-N 0 0 334.685 2.286 40 0 EEABRN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCS(=O)CC1 ZINC000096424190 463255444 /nfs/dbraw/zinc/25/54/44/463255444.db2.gz MNYDTEDSKCXOIN-NSHDSACASA-N 0 0 339.848 2.439 40 0 EEABRN Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000096427007 463256619 /nfs/dbraw/zinc/25/66/19/463256619.db2.gz ZDKQPQHPVFEOEX-CFGKVWFZSA-N 0 0 339.439 2.390 40 0 EEABRN NC(=O)C1CCN(c2ncccc2CNc2ccc(Cl)cn2)CC1 ZINC000096429837 463259453 /nfs/dbraw/zinc/25/94/53/463259453.db2.gz CHPAARZSDWSZQF-UHFFFAOYSA-N 0 0 345.834 2.444 40 0 EEABRN COc1ccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(Cl)c1 ZINC000136795813 463259537 /nfs/dbraw/zinc/25/95/37/463259537.db2.gz DFPBMZLLUJLJQD-CYBMUJFWSA-N 0 0 332.809 2.047 40 0 EEABRN O=C(NCCN1CCOCC1)N(Cc1ccoc1)C1CCCCC1 ZINC000096431276 463259948 /nfs/dbraw/zinc/25/99/48/463259948.db2.gz JSIMHRJBGNQTBA-UHFFFAOYSA-N 0 0 335.448 2.456 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H]2CCCCO2)cc1 ZINC000096430726 463260513 /nfs/dbraw/zinc/26/05/13/463260513.db2.gz IXUGUJYSRLVIFI-IAGOWNOFSA-N 0 0 330.428 2.171 40 0 EEABRN Cc1nc(C)c(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)s1 ZINC000096440028 463265796 /nfs/dbraw/zinc/26/57/96/463265796.db2.gz TVTMQKCNODSIEN-AWEZNQCLSA-N 0 0 348.476 2.494 40 0 EEABRN CS(=O)(=O)Cc1noc(CN(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000096443281 463268188 /nfs/dbraw/zinc/26/81/88/463268188.db2.gz JYAHHXCIPYPOAK-HNNXBMFYSA-N 0 0 347.440 2.266 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)Oc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000096442601 463268271 /nfs/dbraw/zinc/26/82/71/463268271.db2.gz WSWYRIARGSTRPO-UHFFFAOYSA-N 0 0 338.367 2.315 40 0 EEABRN Cc1noc(C)c1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096442621 463268524 /nfs/dbraw/zinc/26/85/24/463268524.db2.gz RCLBEJSAKNGIAP-HNNXBMFYSA-N 0 0 328.368 2.497 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnn(CC(C)C)c2)cc1-n1cnnn1 ZINC000096446400 463270612 /nfs/dbraw/zinc/27/06/12/463270612.db2.gz ASGGRFKYNACUPJ-UHFFFAOYSA-N 0 0 340.391 2.467 40 0 EEABRN CCc1nc(Cl)c(C)c(NC2CCN(C(=O)COC)CC2)n1 ZINC000096449388 463271941 /nfs/dbraw/zinc/27/19/41/463271941.db2.gz LIQQKMWUCKXULL-UHFFFAOYSA-N 0 0 326.828 2.050 40 0 EEABRN CN(Cc1ccco1)C(=O)CNc1ccccc1N1CCC(O)CC1 ZINC000096453392 463274513 /nfs/dbraw/zinc/27/45/13/463274513.db2.gz TXGMFWUCXAEALW-UHFFFAOYSA-N 0 0 343.427 2.311 40 0 EEABRN Cc1cnn(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000096466881 463278337 /nfs/dbraw/zinc/27/83/37/463278337.db2.gz AJAWDDMCVGXIOA-KRWDZBQOSA-N 0 0 341.411 2.082 40 0 EEABRN C/C=C(/C)C(=O)OCCNC(=O)c1cncc(Br)c1 ZINC000096485549 463283509 /nfs/dbraw/zinc/28/35/09/463283509.db2.gz NQBQAPYTIGNLNJ-OQFOIZHKSA-N 0 0 327.178 2.083 40 0 EEABRN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1nccc(N)n1 ZINC000096487477 463285673 /nfs/dbraw/zinc/28/56/73/463285673.db2.gz ZYEMSJFJDWGSEH-JTQLQIEISA-N 0 0 349.232 2.316 40 0 EEABRN C[C@@]1(n2cc(CNc3cc(F)ccc3F)cn2)CCS(=O)(=O)C1 ZINC000096494207 463287720 /nfs/dbraw/zinc/28/77/20/463287720.db2.gz OHMFUIGXYCWSHE-OAHLLOKOSA-N 0 0 341.383 2.307 40 0 EEABRN CC(C)n1nnnc1-c1ccc(NC(=O)[C@H]2OCC[C@H]2C)cc1F ZINC000096501728 463291718 /nfs/dbraw/zinc/29/17/18/463291718.db2.gz WSTZQRXYNOTXPU-YGRLFVJLSA-N 0 0 333.367 2.424 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097095035 463321927 /nfs/dbraw/zinc/32/19/27/463321927.db2.gz BIMONDGRLNDIBV-PWSUYJOCSA-N 0 0 330.787 2.160 40 0 EEABRN O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000031280151 463333573 /nfs/dbraw/zinc/33/35/73/463333573.db2.gz GSBFOEQDDYACIC-UHFFFAOYSA-N 0 0 336.819 2.051 40 0 EEABRN CC(C)(CNS(=O)(=O)c1ccc(N)cc1)CC1CCOCC1 ZINC000097376026 463356490 /nfs/dbraw/zinc/35/64/90/463356490.db2.gz RBCXHHAIXNBEJE-UHFFFAOYSA-N 0 0 326.462 2.390 40 0 EEABRN CCN1C(=O)[C@H]2C(=O)N(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000103583278 463405265 /nfs/dbraw/zinc/40/52/65/463405265.db2.gz WSDSPIPZIVIJLW-YESZJQIVSA-N 0 0 334.375 2.396 40 0 EEABRN Cc1nn(-c2ccccc2)c(C)c1CNc1ncnc2c1NC(=O)CN2 ZINC000041121407 463467835 /nfs/dbraw/zinc/46/78/35/463467835.db2.gz HADGZMJSPPUNCR-UHFFFAOYSA-N 0 0 349.398 2.255 40 0 EEABRN CCCCc1noc([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000041123162 463468523 /nfs/dbraw/zinc/46/85/23/463468523.db2.gz HVNLZDZKJSOXIC-HNNXBMFYSA-N 0 0 345.447 2.485 40 0 EEABRN O=C(Nc1ccn(CCc2ccccn2)n1)N[C@H]1CCCC[C@@H]1CO ZINC000081649472 463477162 /nfs/dbraw/zinc/47/71/62/463477162.db2.gz JFRLZEUDQVBXCC-ZBFHGGJFSA-N 0 0 343.431 2.193 40 0 EEABRN Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)cs1 ZINC000108531740 463609746 /nfs/dbraw/zinc/60/97/46/463609746.db2.gz RGWQFKKGQHYHLG-DYVFJYSZSA-N 0 0 344.440 2.047 40 0 EEABRN CCC[C@@]1(C)CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000084774223 463630839 /nfs/dbraw/zinc/63/08/39/463630839.db2.gz KSYAHWFRSFOFJO-INIZCTEOSA-N 0 0 342.461 2.371 40 0 EEABRN CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000085294862 463644766 /nfs/dbraw/zinc/64/47/66/463644766.db2.gz SUPLSGFFDVXDHK-NEPJUHHUSA-N 0 0 335.347 2.142 40 0 EEABRN CC(C)(C)OC(=O)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000060089936 463649052 /nfs/dbraw/zinc/64/90/52/463649052.db2.gz RGNQWSGFUFSBDQ-UHFFFAOYSA-N 0 0 334.376 2.382 40 0 EEABRN CC(C)C[C@H](NC(N)=O)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044866421 463696260 /nfs/dbraw/zinc/69/62/60/463696260.db2.gz KGZCGXKOMOLWQP-LBPRGKRZSA-N 0 0 331.338 2.405 40 0 EEABRN CCN(Cc1cccc(NC(=O)C2(O)CCC2)c1)C(=O)C(F)(F)F ZINC000185016314 463736891 /nfs/dbraw/zinc/73/68/91/463736891.db2.gz PTNYBKYUBDYDKT-UHFFFAOYSA-N 0 0 344.333 2.451 40 0 EEABRN C[C@@](O)(CNC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCCC1 ZINC000276749436 463742350 /nfs/dbraw/zinc/74/23/50/463742350.db2.gz MGKUQEPOQIXYNI-CQSZACIVSA-N 0 0 333.354 2.349 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCO[C@@H](c3cnccn3)C2)cc1 ZINC000257285014 463761615 /nfs/dbraw/zinc/76/16/15/463761615.db2.gz PFGHJEIZQYMYSO-QGZVFWFLSA-N 0 0 327.384 2.478 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCC(c4cnccn4)CC3)cc2n1 ZINC000257284398 463761741 /nfs/dbraw/zinc/76/17/41/463761741.db2.gz PCNOSVBPTIJDLV-UHFFFAOYSA-N 0 0 336.399 2.156 40 0 EEABRN Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)c2cncnc2C)n1 ZINC000257297289 463767558 /nfs/dbraw/zinc/76/75/58/463767558.db2.gz RGQXXQIKOCNBSU-GOSISDBHSA-N 0 0 340.431 2.101 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305270 463770388 /nfs/dbraw/zinc/77/03/88/463770388.db2.gz SPFCARSMJOFLSJ-SFHVURJKSA-N 0 0 342.443 2.143 40 0 EEABRN CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000257304834 463770872 /nfs/dbraw/zinc/77/08/72/463770872.db2.gz SNIXHIQRUBDPTE-OAHLLOKOSA-N 0 0 349.460 2.155 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000257319010 463776900 /nfs/dbraw/zinc/77/69/00/463776900.db2.gz VQHVPUDWUZGVGM-HNNXBMFYSA-N 0 0 344.390 2.108 40 0 EEABRN CCN(C(=O)CN1C[C@@H](OC)[C@@]2(CCCO2)C1)c1cccc(C)c1 ZINC000257325219 463778278 /nfs/dbraw/zinc/77/82/78/463778278.db2.gz WRZMPIQPJKRGAG-IEBWSBKVSA-N 0 0 332.444 2.228 40 0 EEABRN CCOC(=O)N[C@@H]1[C@H](OC)O[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2[C@@H]1O ZINC000257346002 463789382 /nfs/dbraw/zinc/78/93/82/463789382.db2.gz OGNXEDDZAJYKJV-MCEUPANISA-N 0 0 349.427 2.417 40 0 EEABRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000194162156 463805352 /nfs/dbraw/zinc/80/53/52/463805352.db2.gz VLCQWQZBESPZPZ-BMIGLBTASA-N 0 0 335.379 2.261 40 0 EEABRN COCC1=CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000185893376 463899987 /nfs/dbraw/zinc/89/99/87/463899987.db2.gz BPCKSRXZVXOQKR-SFHVURJKSA-N 0 0 348.418 2.004 40 0 EEABRN COc1ccccc1C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000261949263 463908431 /nfs/dbraw/zinc/90/84/31/463908431.db2.gz LKZHBFVGVVNIJB-MRXNPFEDSA-N 0 0 326.396 2.491 40 0 EEABRN CCCn1c(C)nnc1S(=O)(=O)Cc1cnn(-c2ccccc2)c1 ZINC000195203176 464017885 /nfs/dbraw/zinc/01/78/85/464017885.db2.gz RPLGXKDXMNIANQ-UHFFFAOYSA-N 0 0 345.428 2.156 40 0 EEABRN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000195540364 464073353 /nfs/dbraw/zinc/07/33/53/464073353.db2.gz HVTNJQMUGPUVKW-PBHICJAKSA-N 0 0 342.447 2.130 40 0 EEABRN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)CCc1ccc(O)cc1 ZINC000195563094 464077096 /nfs/dbraw/zinc/07/70/96/464077096.db2.gz IHPTZGUYLGMLMS-IBGZPJMESA-N 0 0 338.407 2.333 40 0 EEABRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)CO2 ZINC000179374993 464123269 /nfs/dbraw/zinc/12/32/69/464123269.db2.gz MOPYMNNIICKRJT-DKSSEZFCSA-N 0 0 339.391 2.021 40 0 EEABRN O=C(NCc1nccs1)[C@@H]1CCC(=O)N1Cc1ccccc1F ZINC000223428527 464142288 /nfs/dbraw/zinc/14/22/88/464142288.db2.gz SDGWPIZUONNKAB-ZDUSSCGKSA-N 0 0 333.388 2.090 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)C)c2)cc1 ZINC000224276010 464149422 /nfs/dbraw/zinc/14/94/22/464149422.db2.gz DADMDRHUNVHDBJ-UHFFFAOYSA-N 0 0 348.424 2.222 40 0 EEABRN O=C(CCC1CCCCC1)NCc1ccnc(N2CCOCC2)n1 ZINC000224214939 464150353 /nfs/dbraw/zinc/15/03/53/464150353.db2.gz OSVYRVONLBYSPG-UHFFFAOYSA-N 0 0 332.448 2.290 40 0 EEABRN Cc1csc(C(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1Br ZINC000225414353 464158242 /nfs/dbraw/zinc/15/82/42/464158242.db2.gz ZZXSZNJXTRUYED-HTQZYQBOSA-N 0 0 331.235 2.203 40 0 EEABRN Cc1ccc2oc(SCC(=O)NCCCN3CCCC3=O)nc2c1 ZINC000225442158 464159455 /nfs/dbraw/zinc/15/94/55/464159455.db2.gz DOUMRBGPEYHCTJ-UHFFFAOYSA-N 0 0 347.440 2.357 40 0 EEABRN CCCCNc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(N)n1 ZINC000225538834 464170929 /nfs/dbraw/zinc/17/09/29/464170929.db2.gz AAUPRBJIGQUELG-GFCCVEGCSA-N 0 0 331.424 2.346 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2sc1=O ZINC000225673244 464179930 /nfs/dbraw/zinc/17/99/30/464179930.db2.gz VRMRQFACYQVQMP-HOSYDEDBSA-N 0 0 338.454 2.067 40 0 EEABRN CC[C@@H]1Oc2cc([C@H](C)NCc3nccc(N)n3)ccc2NC1=O ZINC000180021684 464226278 /nfs/dbraw/zinc/22/62/78/464226278.db2.gz QPFLIRWWGASYRR-GWCFXTLKSA-N 0 0 327.388 2.019 40 0 EEABRN O=C(c1cccc2n[nH]nc21)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000188772214 464366055 /nfs/dbraw/zinc/36/60/55/464366055.db2.gz UKDGQMHTWFMICP-ZDUSSCGKSA-N 0 0 326.331 2.391 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@H](CCC(N)=O)C1 ZINC000189063867 464426531 /nfs/dbraw/zinc/42/65/31/464426531.db2.gz KUJZOLGCCWVGBO-ZIAGYGMSSA-N 0 0 334.468 2.217 40 0 EEABRN CNS(=O)(=O)c1cccc2c1CCN(Cc1cccc(F)c1)C2 ZINC000241121845 464449281 /nfs/dbraw/zinc/44/92/81/464449281.db2.gz JEGDJMILPXYHSV-UHFFFAOYSA-N 0 0 334.416 2.292 40 0 EEABRN C[C@H](C[S@](C)=O)N(C)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000240886263 464449305 /nfs/dbraw/zinc/44/93/05/464449305.db2.gz IOHXIXPZILMUDA-SPSFWMDKSA-N 0 0 331.441 2.170 40 0 EEABRN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000241693924 464454294 /nfs/dbraw/zinc/45/42/94/464454294.db2.gz QIWGCZMMXFOTIN-MLGOLLRUSA-N 0 0 343.427 2.187 40 0 EEABRN CC(C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000244311620 464460612 /nfs/dbraw/zinc/46/06/12/464460612.db2.gz XDSNQDTUDXDYBI-UHFFFAOYSA-N 0 0 339.244 2.284 40 0 EEABRN COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000244131810 464460625 /nfs/dbraw/zinc/46/06/25/464460625.db2.gz UKXZBBSPXOFNAE-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN O[C@H]1CC[C@H](Nc2nc3ccccc3nc2N2CCOCC2)CC1 ZINC000245344141 464470910 /nfs/dbraw/zinc/47/09/10/464470910.db2.gz XTXRINWCVLOOLD-HDJSIYSDSA-N 0 0 328.416 2.182 40 0 EEABRN COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1F ZINC000175401133 464542160 /nfs/dbraw/zinc/54/21/60/464542160.db2.gz FCBHYHDBIOMZMR-UHFFFAOYSA-N 0 0 339.388 2.329 40 0 EEABRN CC(C)C[C@]1(CO)CCCN1C(=O)NCCc1cn2ccccc2n1 ZINC000189930538 464565732 /nfs/dbraw/zinc/56/57/32/464565732.db2.gz VPSFPMDSZATHKE-IBGZPJMESA-N 0 0 344.459 2.459 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)Cc3ccncc3)C2)c1 ZINC000182078691 464566607 /nfs/dbraw/zinc/56/66/07/464566607.db2.gz IAXCMNUOHXIVSB-OAHLLOKOSA-N 0 0 341.411 2.036 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190076975 464595004 /nfs/dbraw/zinc/59/50/04/464595004.db2.gz NCZZUHDMZQLJGX-ZBFHGGJFSA-N 0 0 336.480 2.330 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CC2(C1)OCC[C@H]2CCOCC1CC1 ZINC000247813376 464708397 /nfs/dbraw/zinc/70/83/97/464708397.db2.gz ASOKPYWAGKXKRU-MRXNPFEDSA-N 0 0 347.459 2.259 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247853468 464710903 /nfs/dbraw/zinc/71/09/03/464710903.db2.gz JOVUDDWTRQSXMG-AWEZNQCLSA-N 0 0 327.409 2.256 40 0 EEABRN COCC(=O)NCC[C@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247851103 464711147 /nfs/dbraw/zinc/71/11/47/464711147.db2.gz RMIAXDZPPRHELC-SFHVURJKSA-N 0 0 346.471 2.047 40 0 EEABRN CN(C)c1cc(N2CC3(C2)C[C@H](Oc2cccnc2)CS3)ncn1 ZINC000248113605 464731102 /nfs/dbraw/zinc/73/11/02/464731102.db2.gz LABXEINKDDPWTN-AWEZNQCLSA-N 0 0 343.456 2.081 40 0 EEABRN CC(C)C[C@H](C(=O)Nc1ccncc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000248241989 464739546 /nfs/dbraw/zinc/73/95/46/464739546.db2.gz FKBRFOCUVJTONB-BZUAXINKSA-N 0 0 341.411 2.386 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000191104200 464778869 /nfs/dbraw/zinc/77/88/69/464778869.db2.gz WMUTYQHOWYQFJY-NWDGAFQWSA-N 0 0 339.427 2.408 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)c1ccc(F)c(F)c1 ZINC000248711105 464790106 /nfs/dbraw/zinc/79/01/06/464790106.db2.gz JGUXDNQBTLEQEI-LOWVWBTDSA-N 0 0 328.359 2.207 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000249442896 464875841 /nfs/dbraw/zinc/87/58/41/464875841.db2.gz FPQPNORIBKFNDE-DFBGVHRSSA-N 0 0 346.880 2.040 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](C)CC2)cc1 ZINC000192160123 464877998 /nfs/dbraw/zinc/87/79/98/464877998.db2.gz ZVVAJOASDHQQOQ-LLVKDONJSA-N 0 0 328.459 2.161 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)N1CCC=C(Br)C1 ZINC000252494768 464968216 /nfs/dbraw/zinc/96/82/16/464968216.db2.gz ODZTXSFPLZNOJS-LBPRGKRZSA-N 0 0 347.253 2.124 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)C1 ZINC000252506480 464974221 /nfs/dbraw/zinc/97/42/21/464974221.db2.gz TVUBSERXZZKWLQ-RUZGCFLTSA-N 0 0 348.418 2.229 40 0 EEABRN CCn1ncnc1CNC(=O)NCc1ccsc1Br ZINC000252511324 464977229 /nfs/dbraw/zinc/97/72/29/464977229.db2.gz ZYMPNCBYVBSLRJ-UHFFFAOYSA-N 0 0 344.238 2.121 40 0 EEABRN COc1ccccc1CNC(=O)c1cccnc1O[C@H]1CCOC1 ZINC000253399532 465001894 /nfs/dbraw/zinc/00/18/94/465001894.db2.gz JQQUXCYUZQPFJB-AWEZNQCLSA-N 0 0 328.368 2.188 40 0 EEABRN CCc1nc2sccc2c(NC[C@H]2CCC[C@]23NC(=O)NC3=O)n1 ZINC000253415535 465005049 /nfs/dbraw/zinc/00/50/49/465005049.db2.gz CZSKZDXKSMFIOP-ABKXIKBNSA-N 0 0 345.428 2.044 40 0 EEABRN CC(C)(C)c1nnc2ccc(N3CCO[C@H](c4nccs4)C3)nn21 ZINC000253417788 465005805 /nfs/dbraw/zinc/00/58/05/465005805.db2.gz HKGURASOUXVYJH-NSHDSACASA-N 0 0 344.444 2.456 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccccn3)CC2)[nH]n1 ZINC000306131219 466492202 /nfs/dbraw/zinc/49/22/02/466492202.db2.gz JYULBKPQFRTIBD-GDBMZVCRSA-N 0 0 325.416 2.244 40 0 EEABRN [NH3+]CC[C@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000390822505 467411831 /nfs/dbraw/zinc/41/18/31/467411831.db2.gz BEQYDICFRLDZLK-SFHVURJKSA-N 0 0 326.396 2.165 40 0 EEABRN COc1ccc(C(=O)N2CC(OCC(F)(F)F)C2)c(OC)c1OC ZINC000390830162 467413463 /nfs/dbraw/zinc/41/34/63/467413463.db2.gz JELHDRLYBVYNHI-UHFFFAOYSA-N 0 0 349.305 2.116 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCc1cccnc1)CCO2)C1(F)CCC1 ZINC000575405675 468141644 /nfs/dbraw/zinc/14/16/44/468141644.db2.gz UBRYDLLHIJHVBG-HNNXBMFYSA-N 0 0 334.391 2.250 40 0 EEABRN O=S(=O)(C1CCCCC1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575604998 468145576 /nfs/dbraw/zinc/14/55/76/468145576.db2.gz FGTUPTXPLICVKX-GFCCVEGCSA-N 0 0 345.852 2.246 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCCC2=O)c1 ZINC000575605970 468145879 /nfs/dbraw/zinc/14/58/79/468145879.db2.gz BQMGKMBWKSZMLC-AWEZNQCLSA-N 0 0 339.395 2.292 40 0 EEABRN C[C@@H](Oc1ccccc1F)C(=O)NCc1nc(C2CCOCC2)no1 ZINC000575606899 468146539 /nfs/dbraw/zinc/14/65/39/468146539.db2.gz MWQIVJUPMBPRNO-LLVKDONJSA-N 0 0 349.362 2.186 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C1 ZINC000601045869 468729678 /nfs/dbraw/zinc/72/96/78/468729678.db2.gz ZHSSTDXTVGDGCT-ZDUSSCGKSA-N 0 0 345.399 2.476 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094568 468963742 /nfs/dbraw/zinc/96/37/42/468963742.db2.gz BTDRSPSHWALMPB-ZDUSSCGKSA-N 0 0 338.411 2.125 40 0 EEABRN O=C(N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1)C1(F)CCC1 ZINC000585100958 468968477 /nfs/dbraw/zinc/96/84/77/468968477.db2.gz LKWNCAGKYHQUFJ-GOSISDBHSA-N 0 0 345.418 2.315 40 0 EEABRN O=C(OC1CCCC1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cncs1 ZINC000585109061 468973634 /nfs/dbraw/zinc/97/36/34/468973634.db2.gz RFYYIIZCKGTHIB-KBPBESRZSA-N 0 0 335.429 2.398 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@@H]12 ZINC000585109667 468973861 /nfs/dbraw/zinc/97/38/61/468973861.db2.gz YWZDLBWHBDSDGZ-IKGGRYGDSA-N 0 0 346.402 2.114 40 0 EEABRN Cc1cc(NCCc2ccc(=O)[nH]c2)n2nc(C(F)(F)F)nc2n1 ZINC000585142170 468991476 /nfs/dbraw/zinc/99/14/76/468991476.db2.gz QRXMGBHFXTUKTL-UHFFFAOYSA-N 0 0 338.293 2.207 40 0 EEABRN Cn1ccc(Cn2cc(Br)c(C(F)(F)F)cc2=O)n1 ZINC000585141739 468991759 /nfs/dbraw/zinc/99/17/59/468991759.db2.gz ZPEUXVPSBULCQH-UHFFFAOYSA-N 0 0 336.111 2.411 40 0 EEABRN CC(C)(C)NC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC000585147144 468992773 /nfs/dbraw/zinc/99/27/73/468992773.db2.gz NZVYPFXZLCFWRK-JTQLQIEISA-N 0 0 343.225 2.200 40 0 EEABRN CN(C)c1nc([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)cn2cccc12 ZINC000585178758 468994030 /nfs/dbraw/zinc/99/40/30/468994030.db2.gz HTEIOWMDRWQVSW-MRXNPFEDSA-N 0 0 344.459 2.079 40 0 EEABRN CO[C@]1(COc2cccc(C)c2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276401 469001128 /nfs/dbraw/zinc/00/11/28/469001128.db2.gz JLGDMDRVXBATSZ-LJQANCHMSA-N 0 0 343.427 2.429 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnc(C)[nH]c2=O)[C@H]1Cc1ccccc1 ZINC000585277898 469003056 /nfs/dbraw/zinc/00/30/56/469003056.db2.gz XLLXSVWEMWWIFR-IRXDYDNUSA-N 0 0 341.411 2.353 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1Cc1ccccc1F ZINC000585277799 469003284 /nfs/dbraw/zinc/00/32/84/469003284.db2.gz PGFMPXJCZWBGCD-NVXWUHKLSA-N 0 0 331.391 2.128 40 0 EEABRN CO[C@@H]1CN(S(=O)(=O)c2cccnc2)CC[C@@H]1Cc1ccccc1 ZINC000585280612 469008601 /nfs/dbraw/zinc/00/86/01/469008601.db2.gz LRWFBVRODWFUFD-SJLPKXTDSA-N 0 0 346.452 2.350 40 0 EEABRN C/C=C/C(=O)N1C[C@@H](OC)[C@@]2(C[C@@H](c3cccc(OC)c3)CO2)C1 ZINC000585287879 469008990 /nfs/dbraw/zinc/00/89/90/469008990.db2.gz GLWOJDWXCSEDMS-BQHBWAHUSA-N 0 0 331.412 2.371 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]cn3)C[C@H]2O)c1 ZINC000585288676 469010240 /nfs/dbraw/zinc/01/02/40/469010240.db2.gz HGYQXESICINHRD-WXFDERKXSA-N 0 0 325.412 2.183 40 0 EEABRN C[C@H]1CN=C(N2CCN(CCOCC(F)(F)C(F)F)CC2)S1 ZINC000189702838 534003447 /nfs/dbraw/zinc/00/34/47/534003447.db2.gz PGWWVPPDGIHNIH-JTQLQIEISA-N 0 0 343.390 2.012 40 0 EEABRN C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]1C ZINC000190041428 534157971 /nfs/dbraw/zinc/15/79/71/534157971.db2.gz IWQNXWUZVJYAAJ-IUCAKERBSA-N 0 0 348.296 2.419 40 0 EEABRN O=C(COc1ccc(F)cc1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000130973739 534622504 /nfs/dbraw/zinc/62/25/04/534622504.db2.gz DORISOZOHBPURF-OAHLLOKOSA-N 0 0 329.375 2.385 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 ZINC000096209731 526863063 /nfs/dbraw/zinc/86/30/63/526863063.db2.gz WJBCOGRRFQRVPJ-DYVFJYSZSA-N 0 0 345.424 2.340 40 0 EEABRN CCN1CN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)CC1=O ZINC000190096732 527908626 /nfs/dbraw/zinc/90/86/26/527908626.db2.gz XQJVMRMAUUWFLS-UHFFFAOYSA-N 0 0 347.806 2.488 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)c(C)n1 ZINC000257214766 536026415 /nfs/dbraw/zinc/02/64/15/536026415.db2.gz CNJIPOFPTAKWAL-AWEZNQCLSA-N 0 0 342.447 2.069 40 0 EEABRN CN(C)Cc1ccnc([C@H]2CN(Cc3c(F)cccc3F)CCO2)n1 ZINC000257225507 536051552 /nfs/dbraw/zinc/05/15/52/536051552.db2.gz FGNKDZXGQCUZHX-QGZVFWFLSA-N 0 0 348.397 2.390 40 0 EEABRN CCc1cc(C(=O)N2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)no1 ZINC000257226955 536117092 /nfs/dbraw/zinc/11/70/92/536117092.db2.gz FMYXYJZYHMFXJU-IVMMDQJWSA-N 0 0 341.415 2.014 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cnc(-c2ccnn2C(C)C)cn1 ZINC000257220084 536765794 /nfs/dbraw/zinc/76/57/94/536765794.db2.gz DJLQKMPFMIWKOL-HNNXBMFYSA-N 0 0 329.404 2.231 40 0 EEABRN Cc1nc([C@@](C)(NC(=O)c2cc(C(F)F)n(C)n2)C2CC2)no1 ZINC001433487284 1410397217 /nfs/dbraw/zinc/39/72/17/1410397217.db2.gz BEPKLCKYNSGBNW-AWEZNQCLSA-N 0 0 325.319 2.104 40 0 EEABRN O=C(c1cc(F)ccc1Cl)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549166825 1121134816 /nfs/dbraw/zinc/13/48/16/1121134816.db2.gz JDLSGBAAXHLUJT-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN COC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000058356912 214561100 /nfs/dbraw/zinc/56/11/00/214561100.db2.gz ZIVLXZVGXKJNFV-UHFFFAOYSA-N 0 0 336.347 2.427 40 0 EEABRN CC[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccs1 ZINC000096460896 529669182 /nfs/dbraw/zinc/66/91/82/529669182.db2.gz MCQRPAIGJACZOA-LLVKDONJSA-N 0 0 342.442 2.271 40 0 EEABRN Cc1noc(C2CN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 ZINC000049482234 214011826 /nfs/dbraw/zinc/01/18/26/214011826.db2.gz YTZXMWTYDJPJFG-UHFFFAOYSA-N 0 0 327.793 2.128 40 0 EEABRN Cc1noc(C2CN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C2)n1 ZINC000049482498 214011218 /nfs/dbraw/zinc/01/12/18/214011218.db2.gz ZXUONVZZRRIFNR-UHFFFAOYSA-N 0 0 341.346 2.157 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000004411508 210188281 /nfs/dbraw/zinc/18/82/81/210188281.db2.gz UPYXCWXFJPZZFY-HNNXBMFYSA-N 0 0 325.453 2.036 40 0 EEABRN CN(C)c1nccnc1[C@@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000257326408 282328615 /nfs/dbraw/zinc/32/86/15/282328615.db2.gz WXDBZULJORDPJW-AWEZNQCLSA-N 0 0 346.456 2.137 40 0 EEABRN COc1ccc(NC(=O)C[C@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000004280018 210159162 /nfs/dbraw/zinc/15/91/62/210159162.db2.gz HELYWAMYLMTCOD-INIZCTEOSA-N 0 0 328.368 2.267 40 0 EEABRN COCCCn1c(C)nnc1SCC(=O)NCc1ccccc1 ZINC000004130631 210127560 /nfs/dbraw/zinc/12/75/60/210127560.db2.gz YLXQVXMYHXYORU-UHFFFAOYSA-N 0 0 334.445 2.032 40 0 EEABRN CCC(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000046674504 213805900 /nfs/dbraw/zinc/80/59/00/213805900.db2.gz ZXHNTJNVIAAODT-CQSZACIVSA-N 0 0 338.473 2.392 40 0 EEABRN C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)n1ccnc1 ZINC000068353408 215302013 /nfs/dbraw/zinc/30/20/13/215302013.db2.gz TVZDRUCNDXLFGG-SMDDNHRTSA-N 0 0 348.403 2.123 40 0 EEABRN Cn1nc(C(=O)NCc2ccncc2)cc1NC(=O)c1cccs1 ZINC000040745935 213381454 /nfs/dbraw/zinc/38/14/54/213381454.db2.gz LWWNAGLDZALIPD-UHFFFAOYSA-N 0 0 341.396 2.059 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)CCn2ncc3ccccc32)n1 ZINC000040757999 213383367 /nfs/dbraw/zinc/38/33/67/213383367.db2.gz OEQDRMXEVJRJQL-UHFFFAOYSA-N 0 0 325.416 2.446 40 0 EEABRN O=C(NCCCc1cccc(F)c1)N1CCN(c2ncccn2)CC1 ZINC000069127309 215362399 /nfs/dbraw/zinc/36/23/99/215362399.db2.gz DHTRCVDNHWLYTE-UHFFFAOYSA-N 0 0 343.406 2.080 40 0 EEABRN COc1ccc(COCC(=O)Nc2cccc3c2OCC[C@@H]3O)cn1 ZINC000585123589 539980646 /nfs/dbraw/zinc/98/06/46/539980646.db2.gz IANBVAUVFHWYLR-HNNXBMFYSA-N 0 0 344.367 2.061 40 0 EEABRN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000001357912 209730357 /nfs/dbraw/zinc/73/03/57/209730357.db2.gz MHUWMLOUNHHCSV-HNNXBMFYSA-N 0 0 326.400 2.018 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)nn1C ZINC000071195795 215743262 /nfs/dbraw/zinc/74/32/62/215743262.db2.gz WDLMFAARDDMAFT-MRXNPFEDSA-N 0 0 348.410 2.388 40 0 EEABRN O=C(O[C@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)c1cccs1 ZINC000035315722 213021033 /nfs/dbraw/zinc/02/10/33/213021033.db2.gz JPCPXENORHHISR-ZFWWWQNUSA-N 0 0 346.408 2.336 40 0 EEABRN CCOC(=O)COc1cc(Br)c(CO)cc1OCC ZINC000034772803 212985812 /nfs/dbraw/zinc/98/58/12/212985812.db2.gz RVPPULFIUFGCAN-UHFFFAOYSA-N 0 0 333.178 2.282 40 0 EEABRN CCn1cnc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000096446585 237057497 /nfs/dbraw/zinc/05/74/97/237057497.db2.gz QOZZXSBAOFLJRM-UHFFFAOYSA-N 0 0 349.456 2.273 40 0 EEABRN O=C(NC1CCCC1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000072078690 216004016 /nfs/dbraw/zinc/00/40/16/216004016.db2.gz WDEAZDOVVAHKCM-UHFFFAOYSA-N 0 0 339.505 2.362 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3ccc(F)cc3)n2)C1 ZINC000072360749 216167373 /nfs/dbraw/zinc/16/73/73/216167373.db2.gz ODQYCYQJPBVYHR-CYBMUJFWSA-N 0 0 349.431 2.497 40 0 EEABRN Cn1cc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072354618 216164109 /nfs/dbraw/zinc/16/41/09/216164109.db2.gz KHQQTNITSKQAFV-INIZCTEOSA-N 0 0 348.410 2.437 40 0 EEABRN c1cnc(N2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)nc1 ZINC000072377967 216179587 /nfs/dbraw/zinc/17/95/87/216179587.db2.gz MEWYWRLTNXQRHR-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccccc2)n1 ZINC000072388413 216188101 /nfs/dbraw/zinc/18/81/01/216188101.db2.gz ZIGDLOGCALGXMV-IBGZPJMESA-N 0 0 338.411 2.296 40 0 EEABRN Cn1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2nccnc21 ZINC000072393911 216192078 /nfs/dbraw/zinc/19/20/78/216192078.db2.gz YYJFGTPZCJYWOQ-KGLIPLIRSA-N 0 0 325.416 2.426 40 0 EEABRN CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)OC)C1=O ZINC000072396662 216192393 /nfs/dbraw/zinc/19/23/93/216192393.db2.gz TWKPHZPRSPZBQS-ZDUSSCGKSA-N 0 0 343.335 2.188 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)[C@H](C(N)=O)c1cccc(F)c1 ZINC000072599553 216280049 /nfs/dbraw/zinc/28/00/49/216280049.db2.gz LNHYOAFGZYPQMV-AHIWAGSCSA-N 0 0 335.423 2.073 40 0 EEABRN Cc1cccc(C2(NCc3nc(CS(C)(=O)=O)no3)CCCC2)c1 ZINC000072607128 216280447 /nfs/dbraw/zinc/28/04/47/216280447.db2.gz GSMVPMCIRWVQBG-UHFFFAOYSA-N 0 0 349.456 2.482 40 0 EEABRN CC(=O)c1c(=O)cc(C)oc1NNC(=S)C(=O)Nc1ccccc1 ZINC000027299279 212552250 /nfs/dbraw/zinc/55/22/50/212552250.db2.gz ZNFUCEFRWOARMQ-UHFFFAOYSA-N 0 0 345.380 2.033 40 0 EEABRN O=C(CCn1cncn1)NCCCO[C@H]1CCCc2ccccc21 ZINC000072821190 216310893 /nfs/dbraw/zinc/31/08/93/216310893.db2.gz UKCQYJLVJFLYGB-KRWDZBQOSA-N 0 0 328.416 2.269 40 0 EEABRN C[C@H](CCc1ccccc1F)C(=O)NCCN1C(=O)CCCC1=O ZINC000073123498 216352077 /nfs/dbraw/zinc/35/20/77/216352077.db2.gz WRILCMHHRSIOSV-CYBMUJFWSA-N 0 0 334.391 2.050 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(COC)C(N)=S ZINC000218511970 241329264 /nfs/dbraw/zinc/32/92/64/241329264.db2.gz MECCANAPGGJGMX-YRGRVCCFSA-N 0 0 347.889 2.159 40 0 EEABRN COC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597453 241332667 /nfs/dbraw/zinc/33/26/67/241332667.db2.gz NPBZAWBPJPJCOK-YESZJQIVSA-N 0 0 335.400 2.109 40 0 EEABRN COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224869022 241783038 /nfs/dbraw/zinc/78/30/38/241783038.db2.gz IFLFFNVJLZTLLP-UHFFFAOYSA-N 0 0 335.381 2.307 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2ccc(C)nn2)C1 ZINC000225459952 241876254 /nfs/dbraw/zinc/87/62/54/241876254.db2.gz VTLZVBZTRGZMHH-HNNXBMFYSA-N 0 0 344.415 2.392 40 0 EEABRN COCC1(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2=O)CCC1 ZINC000225810611 242049110 /nfs/dbraw/zinc/04/91/10/242049110.db2.gz PSFFWXQBMHWRQP-INIZCTEOSA-N 0 0 346.427 2.124 40 0 EEABRN O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccoc1 ZINC000225772869 242029004 /nfs/dbraw/zinc/02/90/04/242029004.db2.gz XHMMNWQZCGKTKZ-UHFFFAOYSA-N 0 0 334.759 2.084 40 0 EEABRN Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cn1 ZINC000245338860 243104712 /nfs/dbraw/zinc/10/47/12/243104712.db2.gz OYSIESSOYSTUIE-CGTJXYLNSA-N 0 0 342.443 2.164 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)C1 ZINC000252509713 243837703 /nfs/dbraw/zinc/83/77/03/243837703.db2.gz YTWBSQQKDBWBEN-GRYCIOLGSA-N 0 0 338.429 2.073 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)C3CCOCC3)CC2)n1 ZINC000252538952 243853916 /nfs/dbraw/zinc/85/39/16/243853916.db2.gz NLJGCAODVMWJHD-WKILWMFISA-N 0 0 333.432 2.326 40 0 EEABRN CSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000253418560 243945711 /nfs/dbraw/zinc/94/57/11/243945711.db2.gz WNVPNJHXJDFJNP-JTQLQIEISA-N 0 0 345.490 2.096 40 0 EEABRN Cc1ccc(O)c(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000253431388 243984219 /nfs/dbraw/zinc/98/42/19/243984219.db2.gz VMWSBXGXMXZOGO-CYBMUJFWSA-N 0 0 345.424 2.329 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257217741 244174136 /nfs/dbraw/zinc/17/41/36/244174136.db2.gz DAJSWYKWOAOESK-SFHVURJKSA-N 0 0 325.412 2.431 40 0 EEABRN Cc1cncc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257209817 244146420 /nfs/dbraw/zinc/14/64/20/244146420.db2.gz BRZKELHCSRLYRK-MRXNPFEDSA-N 0 0 334.383 2.343 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)c1ccc2c(c1)OCO2 ZINC000257210836 244151121 /nfs/dbraw/zinc/15/11/21/244151121.db2.gz BWJKOQWLFMNULK-HZPDHXFCSA-N 0 0 344.411 2.278 40 0 EEABRN O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cnccn2)C1 ZINC000257221797 244188233 /nfs/dbraw/zinc/18/82/33/244188233.db2.gz DQOAMZNXAROSMQ-GOSISDBHSA-N 0 0 336.395 2.491 40 0 EEABRN CCCn1ccnc1CN1CC[C@@H]2[C@H](C1)CCCC(=O)N2CCOC ZINC000257227547 244203237 /nfs/dbraw/zinc/20/32/37/244203237.db2.gz FPVJHZXJVRNLDT-DLBZAZTESA-N 0 0 348.491 2.143 40 0 EEABRN Cc1csc(Nc2nccnc2[C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257228051 244206959 /nfs/dbraw/zinc/20/69/59/244206959.db2.gz FSCDGSIKKAYVKS-JTQLQIEISA-N 0 0 339.446 2.082 40 0 EEABRN Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)c3)C2)n1 ZINC000257219647 244178656 /nfs/dbraw/zinc/17/86/56/244178656.db2.gz DHOLMPSBUNIHNA-OAHLLOKOSA-N 0 0 325.416 2.343 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257244031 244254002 /nfs/dbraw/zinc/25/40/02/244254002.db2.gz IJOKHAWCIIGQCJ-QGZVFWFLSA-N 0 0 345.374 2.455 40 0 EEABRN CCOc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)c(C)c2c1 ZINC000257234383 244223482 /nfs/dbraw/zinc/22/34/82/244223482.db2.gz GTGZDAUTSLXRLV-JFIYKMOQSA-N 0 0 346.427 2.221 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257236169 244228541 /nfs/dbraw/zinc/22/85/41/244228541.db2.gz HBBFDNBSONWSMP-HNNXBMFYSA-N 0 0 336.399 2.319 40 0 EEABRN COc1ccc(CN2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)c(F)c1 ZINC000257248070 244263099 /nfs/dbraw/zinc/26/30/99/244263099.db2.gz JBXXQPMHSSWYMK-MRXNPFEDSA-N 0 0 333.363 2.212 40 0 EEABRN CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257251174 244268812 /nfs/dbraw/zinc/26/88/12/244268812.db2.gz JPSUTIWMLGMRNQ-QGZVFWFLSA-N 0 0 347.390 2.480 40 0 EEABRN CC(C)CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020104409 212101344 /nfs/dbraw/zinc/10/13/44/212101344.db2.gz AXQPSUHFFSDEAI-UHFFFAOYSA-N 0 0 338.473 2.388 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257261385 244351133 /nfs/dbraw/zinc/35/11/33/244351133.db2.gz LHBJWRDUVRGURD-KRWDZBQOSA-N 0 0 333.403 2.412 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2C)CC1 ZINC000257265080 244357748 /nfs/dbraw/zinc/35/77/48/244357748.db2.gz LXGQKCUQJMTEJY-ZFWWWQNUSA-N 0 0 347.440 2.199 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000019937471 212087848 /nfs/dbraw/zinc/08/78/48/212087848.db2.gz BKTIFOKEMHHJKU-UHFFFAOYSA-N 0 0 339.439 2.411 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@@H](Cc3cc(C)ncn3)C2)s1 ZINC000257298642 244455981 /nfs/dbraw/zinc/45/59/81/244455981.db2.gz RMSLCXAONYRDPT-HNNXBMFYSA-N 0 0 345.468 2.415 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257313176 244497765 /nfs/dbraw/zinc/49/77/65/244497765.db2.gz URHJFEYGDFSXDL-ZDUSSCGKSA-N 0 0 327.384 2.129 40 0 EEABRN CCN1C[C@@H](C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1=O ZINC000019526887 212038060 /nfs/dbraw/zinc/03/80/60/212038060.db2.gz XIMURUVDZOAWGN-CABCVRRESA-N 0 0 348.418 2.312 40 0 EEABRN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cccc2c1CCCC2 ZINC000077938158 217002686 /nfs/dbraw/zinc/00/26/86/217002686.db2.gz CQZVUBUJJGUQKM-RHSMWYFYSA-N 0 0 330.428 2.171 40 0 EEABRN CN1CCN(Cc2nc3cccc4c3c([n+]2[O-])-c2ccccc2-4)CC1 ZINC000019366230 212023150 /nfs/dbraw/zinc/02/31/50/212023150.db2.gz YIQDJLNMGMFEOP-UHFFFAOYSA-N 0 0 332.407 2.263 40 0 in-vitro EEABRN Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)c2sccn12 ZINC000019240820 212009302 /nfs/dbraw/zinc/00/93/02/212009302.db2.gz DDGQLVRBCYEIFB-UHFFFAOYSA-N 0 0 329.429 2.458 40 0 EEABRN Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1noc(C2CC2)n1 ZINC000078441987 217053433 /nfs/dbraw/zinc/05/34/33/217053433.db2.gz INGBEASIYLPIKN-UHFFFAOYSA-N 0 0 344.396 2.415 40 0 EEABRN COc1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2cc(C)no2)cc1F ZINC000078556195 217076243 /nfs/dbraw/zinc/07/62/43/217076243.db2.gz MSVQSMGLWUWWHY-VCGICTTQSA-N 0 0 340.376 2.407 40 0 EEABRN O=C(NCc1ccc(Br)cc1F)NC[C@H]1CCOC1 ZINC000078925180 217149290 /nfs/dbraw/zinc/14/92/90/217149290.db2.gz YGVKFSQQUGQRFN-SECBINFHSA-N 0 0 331.185 2.424 40 0 EEABRN Cc1cc(C)n(-c2cncc(NCCC(=O)NC3CCCC3)n2)n1 ZINC000078979724 217163245 /nfs/dbraw/zinc/16/32/45/217163245.db2.gz GFQDCJUDWRSKQW-UHFFFAOYSA-N 0 0 328.420 2.140 40 0 EEABRN O=C1NCc2ccc(N[C@H]3CCN(c4ccccc4F)C3=O)cc21 ZINC000079028153 217177285 /nfs/dbraw/zinc/17/72/85/217177285.db2.gz KHHCGUHDQODWIZ-HNNXBMFYSA-N 0 0 325.343 2.287 40 0 EEABRN CC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1 ZINC000079029603 217177918 /nfs/dbraw/zinc/17/79/18/217177918.db2.gz XXMMBBGAAJAWRX-JTQLQIEISA-N 0 0 329.360 2.338 40 0 EEABRN COc1ccc(Br)c(NC(=O)CCCn2cncn2)c1 ZINC000079045188 217180865 /nfs/dbraw/zinc/18/08/65/217180865.db2.gz RXHQNFQBGWQJJI-UHFFFAOYSA-N 0 0 339.193 2.468 40 0 EEABRN CCn1cnc(S(=O)(=O)N(C)CCOc2cc(C)cc(C)c2)c1 ZINC000080713335 217327442 /nfs/dbraw/zinc/32/74/42/217327442.db2.gz HSRCKBPERLEQKE-UHFFFAOYSA-N 0 0 337.445 2.219 40 0 EEABRN Cn1cc(C[C@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)cn1 ZINC000080784563 217332774 /nfs/dbraw/zinc/33/27/74/217332774.db2.gz IMBVKFPSFGUJMC-XAVKZTDYSA-N 0 0 331.441 2.285 40 0 EEABRN CCc1sc(=O)n(CC(=O)NC[C@@H]2CCCO2)c1-c1ccccc1 ZINC000151132229 223783636 /nfs/dbraw/zinc/78/36/36/223783636.db2.gz RZJFIJOGZYLBBS-AWEZNQCLSA-N 0 0 346.452 2.434 40 0 EEABRN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000084069901 217571760 /nfs/dbraw/zinc/57/17/60/217571760.db2.gz PMGKMGZQEPPJML-AAEUAGOBSA-N 0 0 334.372 2.044 40 0 EEABRN O=C(N[C@@H]1C[C@@H](O)[C@H](CO)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000085469108 217671431 /nfs/dbraw/zinc/67/14/31/217671431.db2.gz WSIRVQJILZYODM-VBNZEHGJSA-N 0 0 337.847 2.400 40 0 EEABRN Cn1cccc1[C@H]1CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000265236430 247325480 /nfs/dbraw/zinc/32/54/80/247325480.db2.gz ZGHVFSAWOZEUDP-CQSZACIVSA-N 0 0 342.424 2.160 40 0 EEABRN COc1ccccc1C1(O)CCN(Cc2cnc(N(C)C)nc2)CC1 ZINC000012292987 211335810 /nfs/dbraw/zinc/33/58/10/211335810.db2.gz DYKVZQIYYKPILZ-UHFFFAOYSA-N 0 0 342.443 2.035 40 0 EEABRN COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnccn2)cc1 ZINC000012145648 211306122 /nfs/dbraw/zinc/30/61/22/211306122.db2.gz KKSJEUSEEMTWDF-MRXNPFEDSA-N 0 0 349.394 2.478 40 0 EEABRN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 ZINC000010744568 211188763 /nfs/dbraw/zinc/18/87/63/211188763.db2.gz RFDRKTOMEPZPPG-UHFFFAOYSA-N 0 0 341.363 2.436 40 0 EEABRN COC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000010315085 211162114 /nfs/dbraw/zinc/16/21/14/211162114.db2.gz DOTUJRQJXDYQQV-UHFFFAOYSA-N 0 0 348.380 2.097 40 0 EEABRN C[C@@H](C(=O)N1CCCCCC1)N1CCN(C(=O)CCC2CC2)CC1 ZINC000095397489 218329479 /nfs/dbraw/zinc/32/94/79/218329479.db2.gz YXFKZZBVFCUCPM-INIZCTEOSA-N 0 0 335.492 2.112 40 0 EEABRN Cc1nc(C)c(C)c(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000095416554 218356024 /nfs/dbraw/zinc/35/60/24/218356024.db2.gz CYQUNRGTTDJBGZ-LBPRGKRZSA-N 0 0 330.354 2.297 40 0 EEABRN O=C(NCCC1Cc2ccccc2C1)N1CCCC2(C1)OCCO2 ZINC000095453750 218397176 /nfs/dbraw/zinc/39/71/76/218397176.db2.gz FFVVMIQZWGRKNH-UHFFFAOYSA-N 0 0 330.428 2.340 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000007593342 210817597 /nfs/dbraw/zinc/81/75/97/210817597.db2.gz WXBWNTNTOGPLQU-SJRMYPRLSA-N 0 0 347.465 2.121 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H]3C(=O)N(c4ccsc4)C[C@@H]3C2)n1 ZINC000096053696 218544145 /nfs/dbraw/zinc/54/41/45/218544145.db2.gz BXKLGKLCOBPALJ-JSGCOSHPSA-N 0 0 327.409 2.187 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@@H]2C[C@H](Cc3nnc(C)o3)O[C@@H]2C1 ZINC000096215873 218687961 /nfs/dbraw/zinc/68/79/61/218687961.db2.gz GPBWFCFWHLAJCT-YNEHKIRRSA-N 0 0 333.413 2.220 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000096405569 218756139 /nfs/dbraw/zinc/75/61/39/218756139.db2.gz OBNLYENHJDKURI-IRXDYDNUSA-N 0 0 348.410 2.265 40 0 EEABRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000096425749 218795138 /nfs/dbraw/zinc/79/51/38/218795138.db2.gz JFNYWMLWQSBGQC-SFHVURJKSA-N 0 0 348.406 2.414 40 0 EEABRN CCNC(=O)CNC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447289 218830624 /nfs/dbraw/zinc/83/06/24/218830624.db2.gz RXKQYEORXRKCGB-CYBMUJFWSA-N 0 0 326.400 2.245 40 0 EEABRN CC(C)OCCS(=O)(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000096451056 218834450 /nfs/dbraw/zinc/83/44/50/218834450.db2.gz SJWIBGKJJSGNMB-UHFFFAOYSA-N 0 0 344.452 2.457 40 0 EEABRN COc1ccc(-c2c(I)cnn2CCO)cc1 ZINC000096527411 218882782 /nfs/dbraw/zinc/88/27/82/218882782.db2.gz OFKWSTFBZUPHBT-UHFFFAOYSA-N 0 0 344.152 2.156 40 0 EEABRN CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccncc2Cl)CC1 ZINC000096494446 218871949 /nfs/dbraw/zinc/87/19/49/218871949.db2.gz JGUSLIYIJYMKQU-UHFFFAOYSA-N 0 0 338.839 2.437 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000096500266 218875948 /nfs/dbraw/zinc/87/59/48/218875948.db2.gz SNZBOXQMRLIYOF-CYBMUJFWSA-N 0 0 330.432 2.275 40 0 EEABRN C[C@@H](NC(=O)c1cccnc1Cl)c1nc(-c2cccnc2)n[nH]1 ZINC000005001911 210358007 /nfs/dbraw/zinc/35/80/07/210358007.db2.gz CSDBVQYFDZKPGA-SECBINFHSA-N 0 0 328.763 2.406 40 0 EEABRN COc1cc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc(OC)c1 ZINC000004966149 210341380 /nfs/dbraw/zinc/34/13/80/210341380.db2.gz PAKSYHHGHPEBIQ-ZDUSSCGKSA-N 0 0 342.399 2.349 40 0 EEABRN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)CC(=O)N2 ZINC000004944436 210336591 /nfs/dbraw/zinc/33/65/91/210336591.db2.gz ARHSTJJMNJWMNM-LLVKDONJSA-N 0 0 331.397 2.452 40 0 EEABRN COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(C)CC1 ZINC000004847672 210299710 /nfs/dbraw/zinc/29/97/10/210299710.db2.gz JBJBFSZUXKUIDF-MRXNPFEDSA-N 0 0 333.411 2.280 40 0 EEABRN Cc1nc(-c2ccccn2)nc(N2CCC[C@@H](S(C)(=O)=O)C2)c1C ZINC000274068388 256350504 /nfs/dbraw/zinc/35/05/04/256350504.db2.gz OVMKNKCAHSFELT-CQSZACIVSA-N 0 0 346.456 2.169 40 0 EEABRN CC(=O)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C1NCCN1 ZINC000103593982 257685375 /nfs/dbraw/zinc/68/53/75/257685375.db2.gz UAFNZEWWUHEOOT-XFXZXTDPSA-N 0 0 327.306 2.155 40 0 EEABRN Cc1cccnc1NC(=O)CSc1nnc(-c2ccccc2)n1N ZINC000409175785 257875782 /nfs/dbraw/zinc/87/57/82/257875782.db2.gz UTPVAZFESSZMSK-UHFFFAOYSA-N 0 0 340.412 2.093 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3ccnc(C)n3)CC2)cn1 ZINC000257339516 257916953 /nfs/dbraw/zinc/91/69/53/257916953.db2.gz ZCBDEFRWIWRHBY-AWEZNQCLSA-N 0 0 340.431 2.102 40 0 EEABRN COc1ccc(-c2cnc3n2CCN(C(=O)c2cnccn2)C3)cc1 ZINC000306138459 257923605 /nfs/dbraw/zinc/92/36/05/257923605.db2.gz RYBNZZOSKNLNQF-UHFFFAOYSA-N 0 0 335.367 2.005 40 0 EEABRN CC(C)C(=O)N1CCC2(CC1)OCc1cnc(NCC3CC3)nc12 ZINC000306140079 257923939 /nfs/dbraw/zinc/92/39/39/257923939.db2.gz UJHLLYAEXZWNRO-UHFFFAOYSA-N 0 0 330.432 2.302 40 0 EEABRN COC(=O)C1CCC(Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000192447456 533283224 /nfs/dbraw/zinc/28/32/24/533283224.db2.gz PJROQNXMTLEWQQ-NPCAHTBFSA-N 0 0 344.411 2.036 40 0 EEABRN COC(=O)[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccsc1 ZINC000187755000 533324084 /nfs/dbraw/zinc/32/40/84/533324084.db2.gz OIFUTUZFIWWBGI-OAHLLOKOSA-N 0 0 344.392 2.277 40 0 EEABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)N3CCOCC3)CC1)O2 ZINC000012113639 292305948 /nfs/dbraw/zinc/30/59/48/292305948.db2.gz IMWCEVCIPCIRDV-UHFFFAOYSA-N 0 0 344.411 2.247 40 0 EEABRN CC(C)Oc1cccc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000179194797 159920971 /nfs/dbraw/zinc/92/09/71/159920971.db2.gz CNVLCUXXROICTM-CQSZACIVSA-N 0 0 329.404 2.013 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC3(CC2)CC=CCOC3)c1 ZINC000257207646 277456797 /nfs/dbraw/zinc/45/67/97/277456797.db2.gz BIPGNNVYQRWOCO-UHFFFAOYSA-N 0 0 337.441 2.443 40 0 EEABRN C[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)C(=O)N(C)C ZINC000096405532 278321997 /nfs/dbraw/zinc/32/19/97/278321997.db2.gz FBNQACURHRZCHS-KDOFPFPSSA-N 0 0 331.460 2.100 40 0 EEABRN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000096430488 280158703 /nfs/dbraw/zinc/15/87/03/280158703.db2.gz UFHKOZNQANAYBP-MRXNPFEDSA-N 0 0 340.427 2.014 40 0 EEABRN O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CCNC[C@H]12 ZINC000067902331 280303229 /nfs/dbraw/zinc/30/32/29/280303229.db2.gz QZRDGLOVOQYKOF-MRXNPFEDSA-N 0 0 341.798 2.373 40 0 biogenic,in-vitro EEABRN C[C@H](C(=O)N(C)C1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044849674 289247124 /nfs/dbraw/zinc/24/71/24/289247124.db2.gz XMBXTJYJCCAJOK-GFCCVEGCSA-N 0 0 342.436 2.381 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C)cn2)cs1 ZINC000096186371 293261637 /nfs/dbraw/zinc/26/16/37/293261637.db2.gz TZUPRRTYBUSNQS-HUUCEWRRSA-N 0 0 343.456 2.320 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N1CCSC2(CCCCC2)C1 ZINC000135305698 298454955 /nfs/dbraw/zinc/45/49/55/298454955.db2.gz MJPVYMZOECOSCP-CYBMUJFWSA-N 0 0 348.534 2.271 40 0 EEABRN COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1ccccn1)C2 ZINC000329814129 311703433 /nfs/dbraw/zinc/70/34/33/311703433.db2.gz DPOYIZZBPBYCAU-UHFFFAOYSA-N 0 0 330.409 2.326 40 0 EEABRN CNS(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000331671493 311888130 /nfs/dbraw/zinc/88/81/30/311888130.db2.gz YWAHZXLDKILPAT-UHFFFAOYSA-N 0 0 343.861 2.286 40 0 EEABRN O=C(Cc1ccoc1)NC[C@@H]1CCCN(C(=O)Cc2ccoc2)C1 ZINC000097097313 323320314 /nfs/dbraw/zinc/32/03/14/323320314.db2.gz CKWRZEHNIFEHKX-INIZCTEOSA-N 0 0 330.384 2.013 40 0 EEABRN COC(=O)c1ncn(Cc2ccc(Br)c3cccnc23)n1 ZINC000097371708 323322355 /nfs/dbraw/zinc/32/23/55/323322355.db2.gz MKAAXZXOXHDKEA-UHFFFAOYSA-N 0 0 347.172 2.424 40 0 EEABRN CN(C)c1ccnc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000133601181 323329629 /nfs/dbraw/zinc/32/96/29/323329629.db2.gz BUVWHLHVECLTMW-DYVFJYSZSA-N 0 0 347.365 2.374 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N(C)[C@@H](C)C[S@@](C)=O)n1 ZINC000162767899 323334448 /nfs/dbraw/zinc/33/44/48/323334448.db2.gz NFVPXZJSQSXGOM-NPMABZOXSA-N 0 0 334.445 2.411 40 0 EEABRN C[C@H]1CCN(Cc2cn(C)nc2-c2cccs2)CCS1(=O)=O ZINC000192048778 323477509 /nfs/dbraw/zinc/47/75/09/323477509.db2.gz QJEBXZBMGCFVIC-LBPRGKRZSA-N 0 0 339.486 2.158 40 0 EEABRN CC[C@](Br)(C(=O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096518697 463293491 /nfs/dbraw/zinc/29/34/91/463293491.db2.gz MQPGVIAKYDCLPV-GFCCVEGCSA-N 0 0 335.219 2.424 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)C1CCCC1 ZINC000085467639 462549123 /nfs/dbraw/zinc/54/91/23/462549123.db2.gz LEHNJJBEQKDMMO-INIZCTEOSA-N 0 0 333.407 2.068 40 0 EEABRN O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCCCCCC1 ZINC000045053677 462554272 /nfs/dbraw/zinc/55/42/72/462554272.db2.gz JBQHSEGGMXXLMA-UHFFFAOYSA-N 0 0 342.447 2.133 40 0 EEABRN COc1ccc(CCNC(=S)NC(=O)c2ccco2)cc1OC ZINC000000324002 462555202 /nfs/dbraw/zinc/55/52/02/462555202.db2.gz IQFQXPQDQWUEBA-UHFFFAOYSA-N 0 0 334.397 2.144 40 0 EEABRN CCCn1nnnc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000000569484 462571636 /nfs/dbraw/zinc/57/16/36/462571636.db2.gz SUAJDUDHCCSTLU-UHFFFAOYSA-N 0 0 340.412 2.363 40 0 EEABRN CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1 ZINC000000810895 462573548 /nfs/dbraw/zinc/57/35/48/462573548.db2.gz GATPHSXKVZXFAA-UHFFFAOYSA-N 0 0 348.428 2.199 40 0 EEABRN O=S(=O)(Cc1ccon1)N1CCN(CCCC2CCCC2)CC1 ZINC000088535594 462634600 /nfs/dbraw/zinc/63/46/00/462634600.db2.gz FWZBFNQCMIABJS-UHFFFAOYSA-N 0 0 341.477 2.092 40 0 EEABRN CCc1noc(CC)c1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000088623676 462640502 /nfs/dbraw/zinc/64/05/02/462640502.db2.gz SBNFQAPXXODVRH-DOTOQJQBSA-N 0 0 329.400 2.257 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000063528347 462652615 /nfs/dbraw/zinc/65/26/15/462652615.db2.gz ZWSPGQJIDOEHIT-VQIMIIECSA-N 0 0 339.395 2.319 40 0 EEABRN CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000005414209 462658386 /nfs/dbraw/zinc/65/83/86/462658386.db2.gz KKUUWFRWLLLHCG-HOTGVXAUSA-N 0 0 346.427 2.316 40 0 biogenic,in-vitro EEABRN CC(C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000006256314 462680917 /nfs/dbraw/zinc/68/09/17/462680917.db2.gz OECOEPUIJMLZEW-UHFFFAOYSA-N 0 0 339.244 2.284 40 0 EEABRN CCn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccncc1 ZINC000006351202 462682837 /nfs/dbraw/zinc/68/28/37/462682837.db2.gz MCNMGTZQAAEUDJ-UHFFFAOYSA-N 0 0 340.412 2.486 40 0 EEABRN Cc1cc(C)n(-c2nnc3n2N=C(c2ccc(N)cc2)CS3)n1 ZINC000006390215 462684193 /nfs/dbraw/zinc/68/41/93/462684193.db2.gz VNYIMKMRYHGQFO-UHFFFAOYSA-N 0 0 325.401 2.021 40 0 EEABRN O=C(C1CCC1)N1CCN(Cc2nncn2C2CCCCC2)CC1 ZINC000075164085 462690225 /nfs/dbraw/zinc/69/02/25/462690225.db2.gz LJZIKTZTYUCFNL-UHFFFAOYSA-N 0 0 331.464 2.228 40 0 EEABRN O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccon1 ZINC000075170771 462690593 /nfs/dbraw/zinc/69/05/93/462690593.db2.gz ILSIHDVIWXYDBV-UHFFFAOYSA-N 0 0 326.278 2.333 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(C)(C)C ZINC000047080918 462741912 /nfs/dbraw/zinc/74/19/12/462741912.db2.gz PGSFTHYUMRBRJO-GFCCVEGCSA-N 0 0 334.441 2.421 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCN(Cc2ccncc2Cl)CC1 ZINC000075681487 462749648 /nfs/dbraw/zinc/74/96/48/462749648.db2.gz QGKOMPSMKVHAQH-UHFFFAOYSA-N 0 0 348.834 2.227 40 0 EEABRN CCN(CC(=O)Nc1c(C)nn(C)c1C)C[C@@H](O)c1ccc(C)cc1 ZINC000076016133 462785511 /nfs/dbraw/zinc/78/55/11/462785511.db2.gz VHGBTNULVWZSRC-QGZVFWFLSA-N 0 0 344.459 2.339 40 0 EEABRN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cnc2N)C1(C)C ZINC000154634528 462791766 /nfs/dbraw/zinc/79/17/66/462791766.db2.gz FNMWBONYCVTZNC-VXGBXAGGSA-N 0 0 347.868 2.141 40 0 EEABRN O=C(Nc1cccs1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000090609185 462802729 /nfs/dbraw/zinc/80/27/29/462802729.db2.gz OWNBAEIYLMVSFS-CYBMUJFWSA-N 0 0 341.502 2.420 40 0 EEABRN C=CCSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974039 462808946 /nfs/dbraw/zinc/80/89/46/462808946.db2.gz OLDFUXVXQXIITL-UHFFFAOYSA-N 0 0 349.387 2.419 40 0 EEABRN COC(=O)c1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)o1 ZINC000076183269 462818539 /nfs/dbraw/zinc/81/85/39/462818539.db2.gz QSFJAXZZVCIZEX-UHFFFAOYSA-N 0 0 338.367 2.341 40 0 EEABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 ZINC000013225955 462887708 /nfs/dbraw/zinc/88/77/08/462887708.db2.gz DTZSSOHFDJZSCZ-NEPJUHHUSA-N 0 0 348.428 2.387 40 0 EEABRN C[C@H]1C/C=C/[C@@H](O)[C@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000013309327 462889158 /nfs/dbraw/zinc/88/91/58/462889158.db2.gz NHAQNKDEUQPSIX-GPSGFQFSSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN COC(=O)c1ccc(NC(=S)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000013556326 462895612 /nfs/dbraw/zinc/89/56/12/462895612.db2.gz WOBPKPKMKIQZOT-JKSUJKDBSA-N 0 0 342.420 2.418 40 0 EEABRN CCOC(=O)C1CCN(C(=S)NC(=O)c2cccc(C)c2)CC1 ZINC000013624852 462897595 /nfs/dbraw/zinc/89/75/95/462897595.db2.gz MRSIROYEOBQTPR-UHFFFAOYSA-N 0 0 334.441 2.285 40 0 EEABRN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCc1cccs1 ZINC000014001042 462907360 /nfs/dbraw/zinc/90/73/60/462907360.db2.gz CUSIAWFPTJQBCX-UHFFFAOYSA-N 0 0 338.392 2.256 40 0 EEABRN Cn1cc([C@@H]2[C@H](C(=O)OCc3cccs3)CCC(=O)N2C)cn1 ZINC000076851300 462917205 /nfs/dbraw/zinc/91/72/05/462917205.db2.gz XXVHOHXQXDNSHU-UKRRQHHQSA-N 0 0 333.413 2.135 40 0 EEABRN O=C(CCCn1cnc(-c2ccccc2)cc1=O)NCC(F)(F)F ZINC000049028182 462949977 /nfs/dbraw/zinc/94/99/77/462949977.db2.gz BLLPKBOUEVWLQI-UHFFFAOYSA-N 0 0 339.317 2.369 40 0 EEABRN CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 ZINC000016638504 462984237 /nfs/dbraw/zinc/98/42/37/462984237.db2.gz KOJLRKHKMGDEES-UHFFFAOYSA-N 0 0 330.425 2.143 40 0 EEABRN Cc1cc(-c2cnc(C)nc2CN(C)C(=O)c2cscn2)on1 ZINC000019123523 463013751 /nfs/dbraw/zinc/01/37/51/463013751.db2.gz LLWMXFDQJDQBEF-UHFFFAOYSA-N 0 0 329.385 2.477 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)c1C ZINC000077920433 463071119 /nfs/dbraw/zinc/07/11/19/463071119.db2.gz BFGGHKRZQONVIR-OAHLLOKOSA-N 0 0 348.349 2.370 40 0 EEABRN CCc1ncsc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000157152932 463103830 /nfs/dbraw/zinc/10/38/30/463103830.db2.gz DNTPJZPXZTUYPD-CQSZACIVSA-N 0 0 345.424 2.072 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1 ZINC000025165802 463111761 /nfs/dbraw/zinc/11/17/61/463111761.db2.gz IIXDPLNSDTZTNQ-UHFFFAOYSA-N 0 0 346.358 2.219 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@]3(COCC3CCOCC3)C2)nc1 ZINC000096039962 463145367 /nfs/dbraw/zinc/14/53/67/463145367.db2.gz PYWSDAKPJLJFSQ-IEBWSBKVSA-N 0 0 347.459 2.295 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042440 463147303 /nfs/dbraw/zinc/14/73/03/463147303.db2.gz DEZMXSIESOJUQB-INMHGKMJSA-N 0 0 343.383 2.137 40 0 EEABRN CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@@H](c3nccs3)O[C@@H]2C1 ZINC000096045787 463149914 /nfs/dbraw/zinc/14/99/14/463149914.db2.gz PFTGDVURMYRFFX-FPMFFAJLSA-N 0 0 332.429 2.270 40 0 EEABRN O=C(c1ccsc1)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC000096046465 463150823 /nfs/dbraw/zinc/15/08/23/463150823.db2.gz SYCUHKNKKZNFRW-UHFFFAOYSA-N 0 0 327.409 2.131 40 0 EEABRN Cc1occc1C(=O)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 ZINC000096058661 463160247 /nfs/dbraw/zinc/16/02/47/463160247.db2.gz WDPWWWSRAAYLCZ-CYBMUJFWSA-N 0 0 327.384 2.123 40 0 EEABRN CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)OCO2 ZINC000096066756 463164922 /nfs/dbraw/zinc/16/49/22/463164922.db2.gz WRDKEEZJPADQTL-OAHLLOKOSA-N 0 0 329.400 2.285 40 0 EEABRN CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096069795 463165357 /nfs/dbraw/zinc/16/53/57/463165357.db2.gz WMARVXDSJSAYFN-HNNXBMFYSA-N 0 0 338.411 2.030 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@@]2(C1)COCCN(c1ccccn1)C2 ZINC000096076779 463169291 /nfs/dbraw/zinc/16/92/91/463169291.db2.gz NIPQWWUBZUYQLC-LJQANCHMSA-N 0 0 340.427 2.169 40 0 EEABRN CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cscn1)CCC2 ZINC000096094638 463170876 /nfs/dbraw/zinc/17/08/76/463170876.db2.gz JHMRMPFGWUSXIJ-UHFFFAOYSA-N 0 0 333.461 2.226 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096109076 463176931 /nfs/dbraw/zinc/17/69/31/463176931.db2.gz KBLLGARGRHQYLL-DYVFJYSZSA-N 0 0 348.399 2.450 40 0 EEABRN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000135580795 463178870 /nfs/dbraw/zinc/17/88/70/463178870.db2.gz DDLFUOHHPHVOHL-CABZTGNLSA-N 0 0 334.235 2.046 40 0 EEABRN Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]3F)nc2c1 ZINC000096112232 463179740 /nfs/dbraw/zinc/17/97/40/463179740.db2.gz QOPDIACWLAQIIQ-RISCZKNCSA-N 0 0 333.342 2.164 40 0 biogenic,in-vitro EEABRN NC(=O)[C@@H]1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)C1 ZINC000079031196 463181735 /nfs/dbraw/zinc/18/17/35/463181735.db2.gz BSXKXQHOFJHQSY-GFCCVEGCSA-N 0 0 344.802 2.299 40 0 EEABRN Cn1ccnc1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC000096159926 463190412 /nfs/dbraw/zinc/19/04/12/463190412.db2.gz MNNSSFGPLJWCTP-QFBILLFUSA-N 0 0 342.443 2.265 40 0 EEABRN CC(C)OC[C@H]1CCC[C@]12CN(C(=O)C1CCOCC1)CCO2 ZINC000096160112 463190906 /nfs/dbraw/zinc/19/09/06/463190906.db2.gz NBXRQQRDKIMBAW-AEFFLSMTSA-N 0 0 325.449 2.236 40 0 EEABRN Cc1ccccc1CN1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000096181063 463193420 /nfs/dbraw/zinc/19/34/20/463193420.db2.gz DFAIOYOJAHJZTE-UHFFFAOYSA-N 0 0 332.835 2.340 40 0 EEABRN CN(Cc1cn2c(n1)CN(C1CCOCC1)CC2)Cc1ccco1 ZINC000096197477 463202427 /nfs/dbraw/zinc/20/24/27/463202427.db2.gz YCTPIRCBXQUAOM-UHFFFAOYSA-N 0 0 330.432 2.103 40 0 EEABRN CCn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cnoc1C)C2 ZINC000096198109 463204251 /nfs/dbraw/zinc/20/42/51/463204251.db2.gz AXZULLRSOIRYKL-HNNXBMFYSA-N 0 0 344.415 2.366 40 0 EEABRN CCc1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096202300 463206604 /nfs/dbraw/zinc/20/66/04/463206604.db2.gz WCHKBWZAJHTSST-IBGZPJMESA-N 0 0 342.443 2.361 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096222955 463219466 /nfs/dbraw/zinc/21/94/66/463219466.db2.gz XKVRTNGKASVECV-KXBFYZLASA-N 0 0 340.427 2.296 40 0 EEABRN Cn1cc(CN2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226221 463220960 /nfs/dbraw/zinc/22/09/60/463220960.db2.gz ILOQOXJMWVYZNS-LJQANCHMSA-N 0 0 326.444 2.292 40 0 EEABRN COc1cccc(N2C[C@@]3(CCN(Cc4nccn4C)C3)CC2=O)c1 ZINC000096238951 463224514 /nfs/dbraw/zinc/22/45/14/463224514.db2.gz PFKXLTMVKKHKRV-IBGZPJMESA-N 0 0 340.427 2.058 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096238715 463224703 /nfs/dbraw/zinc/22/47/03/463224703.db2.gz MBTHTFQSGPVAKO-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H](C(=O)NC(C)C)C3(C2)CCOCC3)c1 ZINC000096240776 463225913 /nfs/dbraw/zinc/22/59/13/463225913.db2.gz RAELQJHUHGZYKN-KRWDZBQOSA-N 0 0 344.455 2.388 40 0 EEABRN Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C(=O)C2CC2)C1 ZINC000096244541 463226052 /nfs/dbraw/zinc/22/60/52/463226052.db2.gz RREMUXFPCPQLGK-IBGZPJMESA-N 0 0 342.443 2.017 40 0 EEABRN COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000096245820 463227177 /nfs/dbraw/zinc/22/71/77/463227177.db2.gz JPNDGEDIERVUBM-UONOGXRCSA-N 0 0 337.807 2.194 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000028914392 463236584 /nfs/dbraw/zinc/23/65/84/463236584.db2.gz WAPVJWSXTAZVSK-AWEZNQCLSA-N 0 0 333.409 2.422 40 0 EEABRN Cc1nc(C2(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)CCCCCC2)no1 ZINC000096402307 463237604 /nfs/dbraw/zinc/23/76/04/463237604.db2.gz POQUSKVNSKCBEL-GXTWGEPZSA-N 0 0 348.447 2.206 40 0 EEABRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000096411302 463243926 /nfs/dbraw/zinc/24/39/26/463243926.db2.gz IPTYFOSSZMVEMJ-NVXWUHKLSA-N 0 0 332.444 2.374 40 0 EEABRN O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)NCCO ZINC000096412931 463244876 /nfs/dbraw/zinc/24/48/76/463244876.db2.gz CAXGVUIUJXKTQN-UHFFFAOYSA-N 0 0 336.391 2.465 40 0 EEABRN O=C(c1cccc(F)c1)N1CCCN(c2nc(C3CC3)no2)CC1 ZINC000096413209 463245797 /nfs/dbraw/zinc/24/57/97/463245797.db2.gz QOPKSQWWIGIEPH-UHFFFAOYSA-N 0 0 330.363 2.439 40 0 EEABRN O=C(CNC(=O)c1ccccn1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000096416911 463249002 /nfs/dbraw/zinc/24/90/02/463249002.db2.gz BQMDTRSBEFGJFJ-INIZCTEOSA-N 0 0 341.386 2.184 40 0 EEABRN NC(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417565 463249179 /nfs/dbraw/zinc/24/91/79/463249179.db2.gz MXGZOCODQINMMG-HZPDHXFCSA-N 0 0 343.814 2.262 40 0 EEABRN CC(C)c1ccc(N2CC[C@H](C(=O)NCc3nccn3C)C2=O)cc1 ZINC000096423679 463253777 /nfs/dbraw/zinc/25/37/77/463253777.db2.gz VELVHIAOULQWEC-MRXNPFEDSA-N 0 0 340.427 2.213 40 0 EEABRN Cc1nc2ccccn2c1Cn1cc(I)cn1 ZINC000096424937 463254621 /nfs/dbraw/zinc/25/46/21/463254621.db2.gz FLTWNPCEUHLODB-UHFFFAOYSA-N 0 0 338.152 2.492 40 0 EEABRN CCc1ncc(CN(C)CCN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000096424207 463254704 /nfs/dbraw/zinc/25/47/04/463254704.db2.gz ZTHRSDVBIHAOBD-UHFFFAOYSA-N 0 0 336.461 2.002 40 0 EEABRN COC(=O)c1ccc(CN2CCN([C@@H](C)c3cccnc3)CC2)o1 ZINC000096424312 463254864 /nfs/dbraw/zinc/25/48/64/463254864.db2.gz SZCMAPJYLJMEGU-AWEZNQCLSA-N 0 0 329.400 2.340 40 0 EEABRN CN(C)S(=O)(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000096426109 463256293 /nfs/dbraw/zinc/25/62/93/463256293.db2.gz FKKSZGWDVORIOB-UHFFFAOYSA-N 0 0 334.323 2.109 40 0 EEABRN CN(Cc1ccccn1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096427153 463257076 /nfs/dbraw/zinc/25/70/76/463257076.db2.gz AZORNWXKBZQASU-IBGZPJMESA-N 0 0 339.439 2.331 40 0 EEABRN CN(C[C@@H]1CCCN1S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000096427856 463257988 /nfs/dbraw/zinc/25/79/88/463257988.db2.gz MYOQQTXPASUYFA-INIZCTEOSA-N 0 0 335.429 2.105 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3)C2)cn1 ZINC000096428029 463258500 /nfs/dbraw/zinc/25/85/00/463258500.db2.gz LDMHFKVMEQGYRT-OAHLLOKOSA-N 0 0 335.429 2.306 40 0 EEABRN C[C@H](CCc1ccccc1F)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000096431227 463260226 /nfs/dbraw/zinc/26/02/26/463260226.db2.gz LXTSPIQSGOAJLV-KGLIPLIRSA-N 0 0 341.448 2.288 40 0 EEABRN C[C@@H](CNC(=O)c1csnn1)Oc1cccc(Br)c1 ZINC000096431857 463261369 /nfs/dbraw/zinc/26/13/69/463261369.db2.gz WUPORLDZUGZGIA-QMMMGPOBSA-N 0 0 342.218 2.498 40 0 EEABRN Cc1ccc(CNC(=O)N2CCN(Cc3ccon3)CC2)c(C)c1 ZINC000096439193 463266073 /nfs/dbraw/zinc/26/60/73/463266073.db2.gz VMRGJEHOUKTLBI-UHFFFAOYSA-N 0 0 328.416 2.319 40 0 EEABRN C[C@@](O)(CNC(=O)NCc1cccc(-n2cccn2)c1)c1ccco1 ZINC000096440389 463267569 /nfs/dbraw/zinc/26/75/69/463267569.db2.gz OQFTVFRSINGKSC-GOSISDBHSA-N 0 0 340.383 2.172 40 0 EEABRN Cc1csc(=O)n1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000096442551 463268810 /nfs/dbraw/zinc/26/88/10/463268810.db2.gz FWOSHSIGYGJUKK-KWCYVHTRSA-N 0 0 325.430 2.355 40 0 EEABRN CO[C@]1(C)C[C@@H](NC(=O)CCn2c(C)c(C)sc2=O)C1(C)C ZINC000096443836 463269708 /nfs/dbraw/zinc/26/97/08/463269708.db2.gz LSVFGHGFHCIRDV-MLGOLLRUSA-N 0 0 326.462 2.237 40 0 EEABRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000096449233 463271920 /nfs/dbraw/zinc/27/19/20/463271920.db2.gz CCTOYLVKUGCLEU-XHDPSFHLSA-N 0 0 327.384 2.179 40 0 EEABRN CC(C)(CNC(=O)NCC(C)(C)S(C)(=O)=O)c1cccs1 ZINC000096452352 463272920 /nfs/dbraw/zinc/27/29/20/463272920.db2.gz LRDDVDHQUSOGNG-UHFFFAOYSA-N 0 0 332.491 2.148 40 0 EEABRN COC(=O)c1cc(Cn2c(=O)onc2-c2ccccn2)c(C)s1 ZINC000096461990 463276769 /nfs/dbraw/zinc/27/67/69/463276769.db2.gz OWGNZDBPNLIPFH-UHFFFAOYSA-N 0 0 331.353 2.103 40 0 EEABRN COCC[C@H](C)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000096466243 463278095 /nfs/dbraw/zinc/27/80/95/463278095.db2.gz UDEJCRBUFHZAJP-LBPRGKRZSA-N 0 0 341.408 2.023 40 0 EEABRN Cn1ccnc1CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000096467303 463278357 /nfs/dbraw/zinc/27/83/57/463278357.db2.gz WYVKMJMTSAORER-UHFFFAOYSA-N 0 0 334.426 2.272 40 0 EEABRN O=C(Nc1cccc(-n2ccnn2)c1)N1CCC(n2cccn2)CC1 ZINC000096481425 463281812 /nfs/dbraw/zinc/28/18/12/463281812.db2.gz YEXGBFSCSQPGDU-UHFFFAOYSA-N 0 0 337.387 2.333 40 0 EEABRN Cc1cc([C@@H]2CN(CC(=O)NCc3ccco3)CCO2)ccc1F ZINC000096486872 463285070 /nfs/dbraw/zinc/28/50/70/463285070.db2.gz MOJOIJGRXSCLAP-KRWDZBQOSA-N 0 0 332.375 2.417 40 0 EEABRN CN(C[C@@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486711 463285419 /nfs/dbraw/zinc/28/54/19/463285419.db2.gz WJWRUEHCUVIAMN-KBPBESRZSA-N 0 0 341.249 2.476 40 0 EEABRN Cc1nccc(CNC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)n1 ZINC000096503126 463293016 /nfs/dbraw/zinc/29/30/16/463293016.db2.gz PKUKIJXNFULFBN-ZDUSSCGKSA-N 0 0 345.472 2.435 40 0 EEABRN C[C@@](Cl)([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096520223 463294202 /nfs/dbraw/zinc/29/42/02/463294202.db2.gz ZZCSVRMTEPVUAI-ZJUUUORDSA-N 0 0 327.627 2.482 40 0 EEABRN O=C(C[C@@H]1COCCN1Cc1noc(C2CC2)n1)c1ccccc1 ZINC000097095931 463321894 /nfs/dbraw/zinc/32/18/94/463321894.db2.gz KUZPFLUYYONJOJ-OAHLLOKOSA-N 0 0 327.384 2.421 40 0 EEABRN C[C@@](O)(Cc1ccccc1)C(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000097228099 463349815 /nfs/dbraw/zinc/34/98/15/463349815.db2.gz KBMDMYOOQPMTHG-FUHWJXTLSA-N 0 0 333.815 2.483 40 0 EEABRN Cc1cccc2c1CCN2Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000097236473 463352734 /nfs/dbraw/zinc/35/27/34/463352734.db2.gz UDZSNWXWGCKRCO-SFHVURJKSA-N 0 0 345.468 2.288 40 0 EEABRN O=C(NCc1cccc(-c2nc[nH]n2)c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000097378844 463358717 /nfs/dbraw/zinc/35/87/17/463358717.db2.gz LLDCZUJFXMBWTB-JKSUJKDBSA-N 0 0 341.415 2.229 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000070641331 463377333 /nfs/dbraw/zinc/37/73/33/463377333.db2.gz YIUXLZZKCHXQRH-SFHVURJKSA-N 0 0 342.439 2.421 40 0 EEABRN CN1C(SCc2ccc(F)cc2Cl)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508649 463380418 /nfs/dbraw/zinc/38/04/18/463380418.db2.gz HBUPLPCPMYKVIV-NWDGAFQWSA-N 0 0 348.852 2.179 40 0 EEABRN Cc1nsc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000081457466 463441058 /nfs/dbraw/zinc/44/10/58/463441058.db2.gz NJYXNWFHEBLCQU-UHFFFAOYSA-N 0 0 342.346 2.226 40 0 EEABRN COc1ccc(C[C@]2(c3cccc(Cl)c3)NC(N)=NC2=O)cc1 ZINC000071974763 463477856 /nfs/dbraw/zinc/47/78/56/463477856.db2.gz QBUCZNQDHDUFGT-QGZVFWFLSA-N 0 0 329.787 2.231 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cn1 ZINC000057355391 463480202 /nfs/dbraw/zinc/48/02/02/463480202.db2.gz XIBGJWQMFMHOFH-NVXWUHKLSA-N 0 0 326.400 2.451 40 0 EEABRN COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1OC ZINC000072227095 463484467 /nfs/dbraw/zinc/48/44/67/463484467.db2.gz SOENEXQQPULRFT-SJORKVTESA-N 0 0 330.359 2.254 40 0 EEABRN C[C@@]1(C(=O)Nc2nnc(C3CC3)s2)Oc2ccccc2NC1=O ZINC000041545576 463493925 /nfs/dbraw/zinc/49/39/25/463493925.db2.gz UPTUYOVBPRMWEU-OAHLLOKOSA-N 0 0 330.369 2.144 40 0 EEABRN O=C(NC[C@H]1COc2ccccc2C1)c1cnn(-c2ccccc2)n1 ZINC000057893429 463528385 /nfs/dbraw/zinc/52/83/85/463528385.db2.gz HAWCSGUGQZBYNI-AWEZNQCLSA-N 0 0 334.379 2.248 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108525675 463609446 /nfs/dbraw/zinc/60/94/46/463609446.db2.gz AYTBJDOXGCSYCJ-DOTOQJQBSA-N 0 0 348.487 2.300 40 0 EEABRN O=C(Nc1ccccc1Cl)N(CCC(F)(F)F)C[C@H](O)CO ZINC000084855608 463634600 /nfs/dbraw/zinc/63/46/00/463634600.db2.gz HEQAWVQWKNLFSR-VIFPVBQESA-N 0 0 340.729 2.480 40 0 EEABRN O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)NCc1ccccc1 ZINC000059580013 463644349 /nfs/dbraw/zinc/64/43/49/463644349.db2.gz GQUPCPXTLSTFEL-SFHVURJKSA-N 0 0 338.407 2.121 40 0 EEABRN COCCn1cc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000282944658 463709881 /nfs/dbraw/zinc/70/98/81/463709881.db2.gz VASVMAMRMAOLAM-GFCCVEGCSA-N 0 0 334.342 2.013 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000257225377 463756279 /nfs/dbraw/zinc/75/62/79/463756279.db2.gz FFXVBLJOEYNLSE-JTQLQIEISA-N 0 0 339.442 2.242 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2nccnc2C(=O)NCC(C)(C)C)C1 ZINC000257228991 463757554 /nfs/dbraw/zinc/75/75/54/463757554.db2.gz FWCVCCUNAYSLFG-CQSZACIVSA-N 0 0 332.448 2.054 40 0 EEABRN Cc1cc(N(C)C2CC3(C2)CCN(C(=O)[C@H]2CCCCO2)C3)ncn1 ZINC000257285183 463762003 /nfs/dbraw/zinc/76/20/03/463762003.db2.gz PFZLMPGKPZIMJS-KOHRHEQBSA-N 0 0 344.459 2.171 40 0 EEABRN Cc1c[nH]nc1[C@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000257288099 463762729 /nfs/dbraw/zinc/76/27/29/463762729.db2.gz PSUWETNGGLDWAT-MRXNPFEDSA-N 0 0 339.399 2.058 40 0 EEABRN CN(C)Cc1cncc([C@H]2CCCN2C(=O)CCc2cccnc2)n1 ZINC000257300355 463768897 /nfs/dbraw/zinc/76/88/97/463768897.db2.gz RTYPDWBOOUOGKO-GOSISDBHSA-N 0 0 339.443 2.230 40 0 EEABRN C[C@]12CCCC[N@H+](Cc3ccccc3OCC(=O)[O-])[C@H]1CCC(=O)N2 ZINC000257310051 463771918 /nfs/dbraw/zinc/77/19/18/463771918.db2.gz UDMNHGUHNCTLGN-LPHOPBHVSA-N 0 0 346.427 2.173 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)s1 ZINC000257313077 463773110 /nfs/dbraw/zinc/77/31/10/463773110.db2.gz UQYVOKLOVODFHG-CYBMUJFWSA-N 0 0 332.429 2.380 40 0 EEABRN CCCn1nccc1-c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257326355 463779117 /nfs/dbraw/zinc/77/91/17/463779117.db2.gz WWYBMAPWNRFQJO-AWEZNQCLSA-N 0 0 348.472 2.179 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CO[C@@H](Cc3cnccn3)C2)CC1 ZINC000257329522 463780709 /nfs/dbraw/zinc/78/07/09/463780709.db2.gz XKHXSEFABVEKOO-INIZCTEOSA-N 0 0 338.411 2.126 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000257335926 463782618 /nfs/dbraw/zinc/78/26/18/463782618.db2.gz YMLRHBJOHFRHAC-AWEZNQCLSA-N 0 0 327.384 2.477 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257340175 463786550 /nfs/dbraw/zinc/78/65/50/463786550.db2.gz ZEXIVJDFUPFYON-QGZVFWFLSA-N 0 0 329.375 2.018 40 0 EEABRN O=C(NCCO)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257343063 463788202 /nfs/dbraw/zinc/78/82/02/463788202.db2.gz ZRIJJOOMNFOGNZ-UHFFFAOYSA-N 0 0 340.423 2.196 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260836856 463792091 /nfs/dbraw/zinc/79/20/91/463792091.db2.gz AMJZWYXABRPZQR-OLZOCXBDSA-N 0 0 342.461 2.155 40 0 EEABRN Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260895412 463793335 /nfs/dbraw/zinc/79/33/35/463793335.db2.gz IHKVTHXTVJYMSA-KGLIPLIRSA-N 0 0 326.462 2.310 40 0 EEABRN Cc1cnc(N2CCN(C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000194322265 463836381 /nfs/dbraw/zinc/83/63/81/463836381.db2.gz VJSCAFGPSALYLT-ZDUSSCGKSA-N 0 0 340.265 2.311 40 0 EEABRN Cc1cnc([C@H](C)NS(=O)(=O)c2cccc3nsnc32)s1 ZINC000194792297 463928921 /nfs/dbraw/zinc/92/89/21/463928921.db2.gz KAGBOZGADXFTEV-QMMMGPOBSA-N 0 0 340.455 2.496 40 0 EEABRN CN(C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cnn(C)c1 ZINC000194974886 463969193 /nfs/dbraw/zinc/96/91/93/463969193.db2.gz MRSXZHMZYDEUEK-BBWFWOEESA-N 0 0 345.422 2.017 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000195530227 464071614 /nfs/dbraw/zinc/07/16/14/464071614.db2.gz CIPODANPHBTBBI-CWRNSKLLSA-N 0 0 338.473 2.397 40 0 EEABRN Cc1cc(NC(=O)CN[C@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000195561440 464077725 /nfs/dbraw/zinc/07/77/25/464077725.db2.gz AURDDNPXYQYRSH-SNVBAGLBSA-N 0 0 345.334 2.461 40 0 EEABRN COc1cc(C(=O)NC[C@@](C)(O)c2ccsc2)cc(OC)c1O ZINC000269941760 464133191 /nfs/dbraw/zinc/13/31/91/464133191.db2.gz NKFXYNFHPQHBRU-MRXNPFEDSA-N 0 0 337.397 2.108 40 0 EEABRN CCCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224054208 464148486 /nfs/dbraw/zinc/14/84/86/464148486.db2.gz WGKBWAGDRVCFNA-UHFFFAOYSA-N 0 0 336.457 2.454 40 0 EEABRN CCOc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cc1 ZINC000224149334 464148872 /nfs/dbraw/zinc/14/88/72/464148872.db2.gz OURXRQHJHPEBQH-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN CN1CCN(c2ncc(NC(=O)c3c(F)cccc3Cl)cn2)CC1 ZINC000224252689 464149857 /nfs/dbraw/zinc/14/98/57/464149857.db2.gz AVKZRPJILBUZHQ-UHFFFAOYSA-N 0 0 349.797 2.273 40 0 EEABRN CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224203358 464150029 /nfs/dbraw/zinc/15/00/29/464150029.db2.gz AQWJCSNFKZOBLS-UHFFFAOYSA-N 0 0 332.425 2.488 40 0 EEABRN COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224631029 464151412 /nfs/dbraw/zinc/15/14/12/464151412.db2.gz ZVTZTBORJLYLNL-UHFFFAOYSA-N 0 0 349.408 2.372 40 0 EEABRN COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1cccs1 ZINC000225119925 464152424 /nfs/dbraw/zinc/15/24/24/464152424.db2.gz VTNXHDAAUIRHRL-UHFFFAOYSA-N 0 0 325.411 2.425 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000225418403 464158198 /nfs/dbraw/zinc/15/81/98/464158198.db2.gz DUJFRJRXJBQEQO-CYBMUJFWSA-N 0 0 336.461 2.148 40 0 EEABRN CC(C)(O)C(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000225433751 464159353 /nfs/dbraw/zinc/15/93/53/464159353.db2.gz QAXMDPDJMOKDSJ-QGZVFWFLSA-N 0 0 340.423 2.332 40 0 EEABRN CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000225449878 464160723 /nfs/dbraw/zinc/16/07/23/464160723.db2.gz PMOKJWIIUOOQIT-UHFFFAOYSA-N 0 0 336.804 2.432 40 0 EEABRN Cc1csc(NC2CCN(C(=O)c3cccc4n[nH]nc43)CC2)n1 ZINC000225483693 464165660 /nfs/dbraw/zinc/16/56/60/464165660.db2.gz QFGYQMDAZIWAOF-UHFFFAOYSA-N 0 0 342.428 2.440 40 0 EEABRN CC[C@H](CO)NC(=O)NCc1c(F)cc(Br)cc1F ZINC000187842540 464167928 /nfs/dbraw/zinc/16/79/28/464167928.db2.gz GTTKMIJJMYMEGB-MRVPVSSYSA-N 0 0 337.164 2.297 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)NCc1ccc(C2CC2)cc1 ZINC000225626077 464176414 /nfs/dbraw/zinc/17/64/14/464176414.db2.gz PLESUZLPRRPBTM-UHFFFAOYSA-N 0 0 325.416 2.144 40 0 EEABRN C[C@H](C[S@](C)=O)NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000225627043 464176948 /nfs/dbraw/zinc/17/69/48/464176948.db2.gz ZQGHOJQJUCZUQW-QDXVKYEASA-N 0 0 328.400 2.373 40 0 EEABRN CC(=O)c1c(F)cc(F)cc1OCc1nnn(CC(F)(F)F)n1 ZINC000225639334 464177179 /nfs/dbraw/zinc/17/71/79/464177179.db2.gz HOBZTYWESFXWNP-UHFFFAOYSA-N 0 0 336.220 2.295 40 0 EEABRN Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCOCC2)cc1 ZINC000226252939 464182752 /nfs/dbraw/zinc/18/27/52/464182752.db2.gz LOOZSLUZIUIJPE-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1ccc[nH]1 ZINC000188238634 464233910 /nfs/dbraw/zinc/23/39/10/464233910.db2.gz SROHXYPECZFZQA-CYBMUJFWSA-N 0 0 347.440 2.388 40 0 EEABRN NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)n[nH]1 ZINC000239611707 464444393 /nfs/dbraw/zinc/44/43/93/464444393.db2.gz FBFKLDTZMLIEQG-CQSZACIVSA-N 0 0 334.326 2.154 40 0 EEABRN O=C(Nc1ccc2[nH]cnc2c1)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000239882105 464444804 /nfs/dbraw/zinc/44/48/04/464444804.db2.gz DAHARLXQSZZIIW-CVEARBPZSA-N 0 0 342.399 2.062 40 0 EEABRN CCC[C@]12CCCN1C(=O)N([C@@H]1CCN(c3ccccn3)C1)C2=O ZINC000241161345 464450610 /nfs/dbraw/zinc/45/06/10/464450610.db2.gz JZYLHQAEOGEZIQ-RDTXWAMCSA-N 0 0 328.416 2.257 40 0 EEABRN O=C(NCc1ccc(F)cc1F)c1cccnc1O[C@@H]1CCOC1 ZINC000245187657 464466501 /nfs/dbraw/zinc/46/65/01/464466501.db2.gz ZSNYOCWAUCALQZ-CYBMUJFWSA-N 0 0 334.322 2.458 40 0 EEABRN COC[C@H]1CN(C(=O)CCCc2nc(C)cs2)CC(C)(C)O1 ZINC000285205718 464486734 /nfs/dbraw/zinc/48/67/34/464486734.db2.gz WVEKFLYSYCQRGI-CYBMUJFWSA-N 0 0 326.462 2.427 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 ZINC000247802693 464707365 /nfs/dbraw/zinc/70/73/65/464707365.db2.gz GWAMCNSOKCUQBX-MRXNPFEDSA-N 0 0 327.428 2.467 40 0 EEABRN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2cnccn2)n1 ZINC000247820585 464708219 /nfs/dbraw/zinc/70/82/19/464708219.db2.gz CWCOHGRFXBFCCC-WOSRLPQWSA-N 0 0 332.429 2.134 40 0 EEABRN COCC[C@H]1CCOC2(CN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000247835824 464708989 /nfs/dbraw/zinc/70/89/89/464708989.db2.gz JGADMDFDZASCQU-AWEZNQCLSA-N 0 0 337.391 2.249 40 0 EEABRN c1cnc(OCC[C@H]2CCOC3(CN(Cc4ccncc4)C3)C2)cn1 ZINC000247860464 464710228 /nfs/dbraw/zinc/71/02/28/464710228.db2.gz ZZJIZHZRPZRAEA-INIZCTEOSA-N 0 0 340.427 2.322 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247885460 464711792 /nfs/dbraw/zinc/71/17/92/464711792.db2.gz WZGBPRFETYXGCA-AWEZNQCLSA-N 0 0 330.409 2.383 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@H]3CCOc2ccccn2)no1 ZINC000247919990 464714975 /nfs/dbraw/zinc/71/49/75/464714975.db2.gz NQUJGXLRLGRWCB-OAHLLOKOSA-N 0 0 329.400 2.438 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2cccn2[C@@H](COc2ccccn2)C1 ZINC000248069756 464727717 /nfs/dbraw/zinc/72/77/17/464727717.db2.gz YBAKZIPRAVBLRX-OAHLLOKOSA-N 0 0 338.367 2.456 40 0 EEABRN COc1ccccc1CN1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000248119158 464731443 /nfs/dbraw/zinc/73/14/43/464731443.db2.gz CWEXIOFQCCOPOI-INIZCTEOSA-N 0 0 341.411 2.298 40 0 EEABRN Cc1ccc(CN2CC3(C2)CC[C@H](CNc2ncccn2)CO3)o1 ZINC000248122086 464731887 /nfs/dbraw/zinc/73/18/87/464731887.db2.gz VLIWEKNCABRVPQ-OAHLLOKOSA-N 0 0 328.416 2.471 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000249368954 464867511 /nfs/dbraw/zinc/86/75/11/464867511.db2.gz OTCLZZRNHZMKSO-VNQPRFMTSA-N 0 0 335.452 2.119 40 0 EEABRN CSCC(=O)Nc1cccc2c1OCCN2C(=O)CSC ZINC000252483238 464961815 /nfs/dbraw/zinc/96/18/15/464961815.db2.gz DXWRHIGXKGHFSN-UHFFFAOYSA-N 0 0 326.443 2.077 40 0 EEABRN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000252484611 464962105 /nfs/dbraw/zinc/96/21/05/464962105.db2.gz GAMSGOYFTQXSGX-KBAYOESNSA-N 0 0 344.455 2.188 40 0 EEABRN Cc1ccc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)nc1 ZINC000252495184 464967675 /nfs/dbraw/zinc/96/76/75/464967675.db2.gz OMTIKLPLBZBLML-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN CO[C@@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 ZINC000253393235 464999202 /nfs/dbraw/zinc/99/92/02/464999202.db2.gz WXNVPADEZYUWFS-GJZGRUSLSA-N 0 0 349.406 2.014 40 0 EEABRN COC(=O)[C@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccsc1 ZINC000253425362 465010519 /nfs/dbraw/zinc/01/05/19/465010519.db2.gz IJQSNJSFBAPCOM-GDBMZVCRSA-N 0 0 348.472 2.263 40 0 EEABRN Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@@H](C)C3)ncn2)no1 ZINC000301190732 465918305 /nfs/dbraw/zinc/91/83/05/465918305.db2.gz WDIUZQQZVNLDIC-GFCCVEGCSA-N 0 0 344.419 2.084 40 0 EEABRN CC[C@H](C)n1nc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1C ZINC000331680258 466194260 /nfs/dbraw/zinc/19/42/60/466194260.db2.gz SOEPOHWRQBVHPA-KCTSRDHCSA-N 0 0 328.416 2.942 40 0 EEABRN CC(=O)c1c(C)cc(C)c(CN2CCO[C@H](Cn3cncn3)C2)c1C ZINC000331743301 466228094 /nfs/dbraw/zinc/22/80/94/466228094.db2.gz WUEOFTCQVFCTSX-KRWDZBQOSA-N 0 0 342.443 2.307 40 0 EEABRN c1cc2n(n1)C[C@@H](CCNc1ncccn1)CN(Cc1cccnc1)C2 ZINC000306131711 466491437 /nfs/dbraw/zinc/49/14/37/466491437.db2.gz KNPJVJFNHAHVDO-KRWDZBQOSA-N 0 0 349.442 2.202 40 0 EEABRN CCn1nccc1-c1nc(C2CCN(C(=O)c3ccc[nH]3)CC2)no1 ZINC000390827952 467412469 /nfs/dbraw/zinc/41/24/69/467412469.db2.gz MJUSVLPXEBYVLQ-UHFFFAOYSA-N 0 0 340.387 2.301 40 0 EEABRN O=C(Cc1ccsc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000390830100 467412516 /nfs/dbraw/zinc/41/25/16/467412516.db2.gz ISGGHPKYAIEBHH-JTQLQIEISA-N 0 0 344.362 2.323 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC(OCC(F)(F)F)C1 ZINC000390831634 467413548 /nfs/dbraw/zinc/41/35/48/467413548.db2.gz SZVSWADOWCVPGL-UHFFFAOYSA-N 0 0 328.084 2.445 40 0 EEABRN O=C(NCc1ccnc(OCC2CC2)c1)N[C@@H]1CCCc2c[nH]nc21 ZINC000390833769 467413992 /nfs/dbraw/zinc/41/39/92/467413992.db2.gz MSMXCBXBRKSJEV-OAHLLOKOSA-N 0 0 341.415 2.470 40 0 EEABRN CN(C)C(=O)c1cncc(-c2ccc(NC[C@H]3CCCO3)nc2)c1 ZINC000530250005 467968392 /nfs/dbraw/zinc/96/83/92/467968392.db2.gz KRBWYSVJOCESBV-MRXNPFEDSA-N 0 0 326.400 2.436 40 0 EEABRN CCCS(=O)(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000575404715 468141668 /nfs/dbraw/zinc/14/16/68/468141668.db2.gz DCWJXBDVUQBBLY-QGZVFWFLSA-N 0 0 349.456 2.024 40 0 EEABRN Cc1cncc(OCC[C@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000575403669 468141851 /nfs/dbraw/zinc/14/18/51/468141851.db2.gz JAGISKZDNIITKQ-INIZCTEOSA-N 0 0 345.443 2.362 40 0 EEABRN CC(=O)c1ccc(C(=O)NCCn2ccc3ccn(C)c3c2=O)s1 ZINC000575605276 468146080 /nfs/dbraw/zinc/14/60/80/468146080.db2.gz CJIUSPQXNTVJSW-UHFFFAOYSA-N 0 0 343.408 2.034 40 0 EEABRN CCCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C ZINC000585096395 468964234 /nfs/dbraw/zinc/96/42/34/468964234.db2.gz LTTWRHKJVSMGIY-LBPRGKRZSA-N 0 0 330.388 2.109 40 0 EEABRN O=C(NCC[C@H]1CCOC12CN(Cc1ccoc1)C2)c1ccco1 ZINC000585102641 468970813 /nfs/dbraw/zinc/97/08/13/468970813.db2.gz DHHMRSKDMHYKMC-HNNXBMFYSA-N 0 0 330.384 2.284 40 0 EEABRN CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1=O ZINC000585106826 468971603 /nfs/dbraw/zinc/97/16/03/468971603.db2.gz IXNAEVNWHVENNA-YBSITQRDSA-N 0 0 330.403 2.209 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585104496 468971848 /nfs/dbraw/zinc/97/18/48/468971848.db2.gz JFCIJTYNPZLDRL-OAHLLOKOSA-N 0 0 341.436 2.394 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2nc(C)no2)C[C@H]1Cc1ccccc1 ZINC000585113448 468976493 /nfs/dbraw/zinc/97/64/93/468976493.db2.gz IOVSMOOGRZKMCU-HZPDHXFCSA-N 0 0 329.400 2.027 40 0 EEABRN Cc1cc(CS(=O)(=O)N2CCN(C)c3cc(Cl)ccc32)no1 ZINC000585123473 468981067 /nfs/dbraw/zinc/98/10/67/468981067.db2.gz FKMSYBBCRNFNPR-UHFFFAOYSA-N 0 0 341.820 2.423 40 0 EEABRN O=C(c1ncoc1-c1ccon1)N1CC[C@H](Oc2ccccn2)C1 ZINC000585141540 468991694 /nfs/dbraw/zinc/99/16/94/468991694.db2.gz CJJAMRYWUMTKDX-NSHDSACASA-N 0 0 326.312 2.018 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2cc(F)ccc2C)C[C@@]12CCCO2 ZINC000585266367 468995594 /nfs/dbraw/zinc/99/55/94/468995594.db2.gz SWAVHZQTCAJZEG-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585275614 468999279 /nfs/dbraw/zinc/99/92/79/468999279.db2.gz DYANEQUJYBYOMI-ROUUACIJSA-N 0 0 345.418 2.315 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccc3oc(C)cc3c2)C[C@H]1CC(N)=O ZINC000585275668 468999565 /nfs/dbraw/zinc/99/95/65/468999565.db2.gz HVUUGTNMGQIBHB-HUUCEWRRSA-N 0 0 330.384 2.094 40 0 EEABRN O=C(Cc1ccncc1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585278516 469003861 /nfs/dbraw/zinc/00/38/61/469003861.db2.gz TXIRKYYPTKBTJA-SJLPKXTDSA-N 0 0 328.387 2.215 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000585279166 469004892 /nfs/dbraw/zinc/00/48/92/469004892.db2.gz UXXNMJPGWPEHFT-SFHVURJKSA-N 0 0 348.418 2.130 40 0 EEABRN COc1cccc([C@H]2CO[C@]3(C2)CN(C(=O)C2CC2)C[C@H]3OC)c1 ZINC000585288328 469010130 /nfs/dbraw/zinc/01/01/30/469010130.db2.gz VPAITFISZQGVPC-SZVBFZGTSA-N 0 0 331.412 2.205 40 0 EEABRN C=CC(=O)N1CCC(c2nccnc2Nc2ncc(C)s2)CC1 ZINC000585292561 469012076 /nfs/dbraw/zinc/01/20/76/469012076.db2.gz OPGRDLITDIPOLF-UHFFFAOYSA-N 0 0 329.429 2.877 40 0 EEABRN Cc1cccc(O[C@H](C)c2nnc3n2CCS(=O)(=O)CC3)c1C ZINC000630950881 470035265 /nfs/dbraw/zinc/03/52/65/470035265.db2.gz GUYKHXOJRFXDNF-CYBMUJFWSA-N 0 0 335.429 2.006 40 0 EEABRN CCc1nc2sccc2c(N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)n1 ZINC000631329796 470122744 /nfs/dbraw/zinc/12/27/44/470122744.db2.gz JKSFRCFUITZRJJ-VIFPVBQESA-N 0 0 343.412 2.449 40 0 EEABRN CC(C)CN1C[C@H](C(=O)N(C)C[C@@H]2OCCc3ccccc32)CC1=O ZINC000019447079 519732545 /nfs/dbraw/zinc/73/25/45/519732545.db2.gz GDIMQIPKBRCBDZ-AEFFLSMTSA-N 0 0 344.455 2.263 40 0 EEABRN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(-c3ccccc3)o2)C1 ZINC000096473696 526649934 /nfs/dbraw/zinc/64/99/34/526649934.db2.gz GZESWQJILFCEJE-OAHLLOKOSA-N 0 0 327.384 2.367 40 0 EEABRN CC(=O)NCC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000188798854 526715304 /nfs/dbraw/zinc/71/53/04/526715304.db2.gz NYXYGQLTHXORTN-SECBINFHSA-N 0 0 333.215 2.355 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1C ZINC000096443222 527598326 /nfs/dbraw/zinc/59/83/26/527598326.db2.gz IEMOHTQWLVLDSF-SECBINFHSA-N 0 0 335.354 2.209 40 0 EEABRN CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708091 529358009 /nfs/dbraw/zinc/35/80/09/529358009.db2.gz GSIDZHHCWSORRB-GFCCVEGCSA-N 0 0 331.416 2.212 40 0 EEABRN CCCc1nnsc1C(=O)N1CCc2c(cnc3cc(C)nn32)C1 ZINC000208034866 535551579 /nfs/dbraw/zinc/55/15/79/535551579.db2.gz NWKBVEPODRCGRN-UHFFFAOYSA-N 0 0 342.428 2.040 40 0 EEABRN CC[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225545583 535576906 /nfs/dbraw/zinc/57/69/06/535576906.db2.gz JLCCMKUBRQZYLB-LLVKDONJSA-N 0 0 332.853 2.016 40 0 EEABRN COCc1nsc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000241586415 536834056 /nfs/dbraw/zinc/83/40/56/536834056.db2.gz OVVBLGAMLTVATO-GFCCVEGCSA-N 0 0 336.392 2.037 40 0 EEABRN CS(=O)(=O)c1ccc(-c2ccccc2C[C@H]([NH3+])CC(=O)[O-])cc1 ZINC001772714821 1179348307 /nfs/dbraw/zinc/34/83/07/1179348307.db2.gz YNFVBQUDUXUBEW-AWEZNQCLSA-N 0 0 333.409 2.102 40 0 EEABRN CCC1(CC)CCCN1C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O ZINC000828908929 1296909319 /nfs/dbraw/zinc/90/93/19/1296909319.db2.gz KCBLYXMVDJJGKS-UHFFFAOYSA-N 0 0 340.445 2.376 40 0 EEABRN O=C(c1c2[nH]c(=O)[nH]c(=O)c2c2ccccn21)c1ccc(Cl)cc1 ZINC000027788875 1351688792 /nfs/dbraw/zinc/68/87/92/1351688792.db2.gz YYIUODJNYGYPEZ-UHFFFAOYSA-N 0 0 339.738 2.354 40 0 EEABRN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccncc3)n2)cc1 ZINC000041254513 1352499604 /nfs/dbraw/zinc/49/96/04/1352499604.db2.gz FRPZHDRNGXSALP-UHFFFAOYSA-N 0 0 348.406 2.320 40 0 EEABRN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nncs2)CC1 ZINC000929626432 793359603 /nfs/dbraw/zinc/35/96/03/793359603.db2.gz MKWUVLPQLFVISC-CQSZACIVSA-N 0 0 338.864 2.043 40 0 EEABRN Cc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000056139365 214361375 /nfs/dbraw/zinc/36/13/75/214361375.db2.gz ZRQGVYKIKFYPOK-UHFFFAOYSA-N 0 0 349.408 2.124 40 0 EEABRN O=C(NCCCn1ccnc1)C1(c2cc(-c3ccco3)on2)CC1 ZINC000056919216 214395328 /nfs/dbraw/zinc/39/53/28/214395328.db2.gz QSJAGVFWUYXZLH-UHFFFAOYSA-N 0 0 326.356 2.369 40 0 EEABRN Cc1ccoc1C(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000097953764 219064871 /nfs/dbraw/zinc/06/48/71/219064871.db2.gz IEPNVNDFASHONN-GRDNDAEWSA-N 0 0 328.368 2.434 40 0 EEABRN Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)c4cccn4C)C[C@H]3O2)n1 ZINC000097953907 219065283 /nfs/dbraw/zinc/06/52/83/219065283.db2.gz JBUZHJNTGCWRMQ-RRQGHBQHSA-N 0 0 326.400 2.116 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)[O-] ZINC000004280161 210161415 /nfs/dbraw/zinc/16/14/15/210161415.db2.gz XWCPHFHMHSVSSQ-JSGCOSHPSA-N 0 0 340.807 2.199 40 0 EEABRN O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1)c1ccc(Cl)cc1 ZINC000004104467 210121134 /nfs/dbraw/zinc/12/11/34/210121134.db2.gz BVZSAQSHJSCTMX-CRWXNKLISA-N 0 0 342.782 2.182 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)N1CCCCC1 ZINC000205859600 539656729 /nfs/dbraw/zinc/65/67/29/539656729.db2.gz VNTOFPFHEHMOSQ-UKTHLTGXSA-N 0 0 331.397 2.130 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224770248 539658658 /nfs/dbraw/zinc/65/86/58/539658658.db2.gz LXKLDSIAOIIFCR-UHFFFAOYSA-N 0 0 330.425 2.240 40 0 EEABRN O=C(NCCCn1cc(Br)cn1)c1ccn(C(F)F)n1 ZINC000002778609 209910002 /nfs/dbraw/zinc/91/00/02/209910002.db2.gz YMKGPSMXLGIWLT-UHFFFAOYSA-N 0 0 348.151 2.057 40 0 EEABRN Cc1nc(CC(=O)NCC2(N3CCOCC3)CCCCC2)cs1 ZINC000068324129 215299695 /nfs/dbraw/zinc/29/96/95/215299695.db2.gz LUUMNFNDWATKCP-UHFFFAOYSA-N 0 0 337.489 2.145 40 0 EEABRN C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)n1ccnc1 ZINC000068353410 215301881 /nfs/dbraw/zinc/30/18/81/215301881.db2.gz TVZDRUCNDXLFGG-FZMZJTMJSA-N 0 0 348.403 2.123 40 0 EEABRN COCC(=O)Nc1ccc(N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000068946374 215348282 /nfs/dbraw/zinc/34/82/82/215348282.db2.gz KEWZERGLAPGCQP-KRWDZBQOSA-N 0 0 339.395 2.489 40 0 EEABRN C[C@@H]1CCC[C@@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H]1C ZINC000068969113 215349557 /nfs/dbraw/zinc/34/95/57/215349557.db2.gz OYMSIWSLPQIIGE-DGXTUMSLSA-N 0 0 334.460 2.493 40 0 EEABRN CCc1noc([C@@H]2CCCCN2C(=O)c2nnc3ccccc3n2)n1 ZINC000040714886 213373004 /nfs/dbraw/zinc/37/30/04/213373004.db2.gz MDUDMIXSPBGQFR-ZDUSSCGKSA-N 0 0 338.371 2.338 40 0 EEABRN Cn1nc(C(=O)Nc2cc3c(cc2Br)CCC3)ccc1=O ZINC000195204536 282801302 /nfs/dbraw/zinc/80/13/02/282801302.db2.gz UEOJCVVALYMGOW-UHFFFAOYSA-N 0 0 348.200 2.284 40 0 EEABRN COCCN(CC(=O)Nc1cccc(C)c1C)Cc1nc(C)no1 ZINC000040489627 213319379 /nfs/dbraw/zinc/31/93/79/213319379.db2.gz NACSVYPBFUHOLW-UHFFFAOYSA-N 0 0 332.404 2.082 40 0 EEABRN CN(Cc1cnn(C2CCCCC2)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000036740647 213115747 /nfs/dbraw/zinc/11/57/47/213115747.db2.gz COWCAFULVFGOHN-MRXNPFEDSA-N 0 0 325.478 2.397 40 0 EEABRN Cc1cc(=O)n(S(=O)(=O)c2ccccc2)c2nn(C(C)C)cc21 ZINC000036621514 213105427 /nfs/dbraw/zinc/10/54/27/213105427.db2.gz ZXTCVXLCICCGCS-UHFFFAOYSA-N 0 0 331.397 2.324 40 0 EEABRN NC(=O)N1CCC[C@H]1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000135615311 283300657 /nfs/dbraw/zinc/30/06/57/283300657.db2.gz SBTYIEBYJVRNRM-ZDUSSCGKSA-N 0 0 342.226 2.421 40 0 EEABRN Cc1cnc(NC(=O)CSc2nnc3nc(C)cc(C)n32)s1 ZINC000035315578 213020432 /nfs/dbraw/zinc/02/04/32/213020432.db2.gz LUESDIYKHJHFDL-UHFFFAOYSA-N 0 0 334.430 2.237 40 0 EEABRN NS(=O)(=O)c1ccc(C(=O)CSc2nc3ccccc3o2)cc1 ZINC000035291167 213018579 /nfs/dbraw/zinc/01/85/79/213018579.db2.gz DIRXTJHCGALDTG-UHFFFAOYSA-N 0 0 348.405 2.450 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1 ZINC000188280508 236502838 /nfs/dbraw/zinc/50/28/38/236502838.db2.gz NPKOXDFZZWHBFO-UHFFFAOYSA-N 0 0 348.472 2.255 40 0 EEABRN Cc1ncsc1CNC(=O)NCCOc1ccc(Cl)cn1 ZINC000096473431 237061445 /nfs/dbraw/zinc/06/14/45/237061445.db2.gz DLTXKWJZVYMEMJ-UHFFFAOYSA-N 0 0 326.809 2.378 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2F)[C@H]1c1ccccc1 ZINC000072237891 216076987 /nfs/dbraw/zinc/07/69/87/216076987.db2.gz JOCMBGKHTNFDKH-QZTJIDSGSA-N 0 0 342.370 2.040 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355337 216164870 /nfs/dbraw/zinc/16/48/70/216164870.db2.gz KSRIDNFPOLQIHW-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cc(Nc3ccccn3)nc(C)n2)C1 ZINC000072360275 216166068 /nfs/dbraw/zinc/16/60/68/216166068.db2.gz VFFDEGPZFGVAAM-CQSZACIVSA-N 0 0 341.415 2.276 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1 ZINC000072369256 216176332 /nfs/dbraw/zinc/17/63/32/216176332.db2.gz VKCGSZPLVSNGKH-HNNXBMFYSA-N 0 0 344.390 2.157 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2nccnc2C(=O)NC2CCCCC2)C1 ZINC000072387101 216185910 /nfs/dbraw/zinc/18/59/10/216185910.db2.gz XRTLELGYHOPKQL-OAHLLOKOSA-N 0 0 344.459 2.340 40 0 EEABRN CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072382416 216183261 /nfs/dbraw/zinc/18/32/61/216183261.db2.gz GLKXNKLFUJWLBJ-CQSZACIVSA-N 0 0 326.404 2.271 40 0 EEABRN CCC(=O)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383846 216184228 /nfs/dbraw/zinc/18/42/28/216184228.db2.gz SAKCFRZHGBFNBW-CYBMUJFWSA-N 0 0 326.404 2.201 40 0 EEABRN O=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581733 216278122 /nfs/dbraw/zinc/27/81/22/216278122.db2.gz JUSULYHMDDLEHA-GFCCVEGCSA-N 0 0 349.385 2.421 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2ncon2)c1 ZINC000073096407 216349307 /nfs/dbraw/zinc/34/93/07/216349307.db2.gz XVTKBDATVWJZHY-OAHLLOKOSA-N 0 0 348.362 2.272 40 0 EEABRN O=C(NCc1ccc(C2CC2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000191610224 239208658 /nfs/dbraw/zinc/20/86/58/239208658.db2.gz UFWGGFLIXGJTLV-SFHVURJKSA-N 0 0 329.444 2.180 40 0 EEABRN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000096462387 299340914 /nfs/dbraw/zinc/34/09/14/299340914.db2.gz IRPZCHIDVYVFPJ-NHYWBVRUSA-N 0 0 342.436 2.111 40 0 EEABRN Cc1ccn(-c2ccc(N3CC[C@H](OCc4ccncc4)C3)nn2)n1 ZINC000192905636 239933438 /nfs/dbraw/zinc/93/34/38/239933438.db2.gz KRBBYAAECPRHJH-INIZCTEOSA-N 0 0 336.399 2.161 40 0 EEABRN Cn1c2ccccc2nc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000195576679 241022202 /nfs/dbraw/zinc/02/22/02/241022202.db2.gz OEDDLUZXMJEHQP-UHFFFAOYSA-N 0 0 336.395 2.241 40 0 EEABRN CCOc1ccc(CCNC(=O)c2ccncc2N)cc1OCC ZINC000022073255 212274844 /nfs/dbraw/zinc/27/48/44/212274844.db2.gz BBGXNAYCHASDSH-UHFFFAOYSA-N 0 0 329.400 2.434 40 0 EEABRN COc1cc(OC)cc(C(=O)NCc2ccnc(N3CCCC3)n2)c1 ZINC000207979499 241063220 /nfs/dbraw/zinc/06/32/20/241063220.db2.gz GREOQZZZCTWQFU-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(COC)C(N)=S ZINC000218515188 241328383 /nfs/dbraw/zinc/32/83/83/241328383.db2.gz GYJOMULQFNGHQJ-SGMGOOAPSA-N 0 0 347.889 2.159 40 0 EEABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000225807524 242046499 /nfs/dbraw/zinc/04/64/99/242046499.db2.gz ZRZNPKKGEBCMID-CYBMUJFWSA-N 0 0 330.428 2.057 40 0 EEABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(C)cc(C)n1 ZINC000021596215 212233928 /nfs/dbraw/zinc/23/39/28/212233928.db2.gz MLFPMLVVWZVIAB-UHFFFAOYSA-N 0 0 346.412 2.237 40 0 EEABRN Cc1cc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n2ncnc2n1 ZINC000241795457 243004203 /nfs/dbraw/zinc/00/42/03/243004203.db2.gz RZITXWKSPDFHDN-KRWDZBQOSA-N 0 0 343.818 2.270 40 0 EEABRN c1nncn1N1CN(CCc2ccccc2)Cn2c3ccccc3nc21 ZINC000020637330 212159160 /nfs/dbraw/zinc/15/91/60/212159160.db2.gz CEYBHZZLVJPUDJ-UHFFFAOYSA-N 0 0 345.410 2.371 40 0 EEABRN CCS[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000076476731 216775841 /nfs/dbraw/zinc/77/58/41/216775841.db2.gz MQFGNVWQBYVIJO-ZFWWWQNUSA-N 0 0 338.477 2.176 40 0 EEABRN O=C(NCCOc1ncc(Cl)cc1Cl)NCCC1(O)CCC1 ZINC000252491795 243799786 /nfs/dbraw/zinc/79/97/86/243799786.db2.gz LTJUTKAZRZRONT-UHFFFAOYSA-N 0 0 348.230 2.372 40 0 EEABRN Cc1cc(CCNS(=O)(=O)c2cccc(Cl)c2C)nn1C ZINC000253408271 243917945 /nfs/dbraw/zinc/91/79/45/243917945.db2.gz XKCODXFFVANQGC-UHFFFAOYSA-N 0 0 327.837 2.211 40 0 EEABRN CCS(=O)(=O)c1ccc(CNC(=O)N2CCCSCC2)s1 ZINC000253420789 243955416 /nfs/dbraw/zinc/95/54/16/243955416.db2.gz LTGCRGFUJKEOKR-UHFFFAOYSA-N 0 0 348.515 2.190 40 0 EEABRN Cc1ncsc1CN1CC2(C1)C[C@H](Oc1cncc(C)n1)CCO2 ZINC000253601262 244034123 /nfs/dbraw/zinc/03/41/23/244034123.db2.gz NPNOHMKUBCULTI-CQSZACIVSA-N 0 0 346.456 2.362 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257202108 244122424 /nfs/dbraw/zinc/12/24/24/244122424.db2.gz AKMGCHOQUVZYHT-CYBMUJFWSA-N 0 0 341.371 2.407 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)ccn1 ZINC000257208881 244143703 /nfs/dbraw/zinc/14/37/03/244143703.db2.gz BNXAGGGQOHQNPR-CQSZACIVSA-N 0 0 336.399 2.186 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2ccccc2C)n1 ZINC000257208848 244144822 /nfs/dbraw/zinc/14/48/22/244144822.db2.gz BNUMWHWPHAVZJR-INIZCTEOSA-N 0 0 340.427 2.278 40 0 EEABRN CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1cc(F)cc(F)c1 ZINC000257211659 244152984 /nfs/dbraw/zinc/15/29/84/244152984.db2.gz BZTYQTJCKDCFBV-GOSISDBHSA-N 0 0 346.381 2.334 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)s1 ZINC000257214931 244162785 /nfs/dbraw/zinc/16/27/85/244162785.db2.gz CNZKERMDJOXQAP-IRXDYDNUSA-N 0 0 346.452 2.425 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 ZINC000257230875 244214043 /nfs/dbraw/zinc/21/40/43/244214043.db2.gz GEHUGJNDYYRKNO-INIZCTEOSA-N 0 0 338.415 2.227 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cccc(F)c2C)CC[C@]12CCCO2 ZINC000257247291 244259779 /nfs/dbraw/zinc/25/97/79/244259779.db2.gz IYIBHNZTUYQCBL-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN COc1ccc([C@@H]2Cn3c(C)cnc3CN2C(=O)c2ccnnc2)cc1 ZINC000257248017 244260670 /nfs/dbraw/zinc/26/06/70/244260670.db2.gz JBRSCUNCFIJANE-KRWDZBQOSA-N 0 0 349.394 2.387 40 0 EEABRN CN(c1ccccc1C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000020047485 212097951 /nfs/dbraw/zinc/09/79/51/212097951.db2.gz VJHOERRZTJUDTG-UHFFFAOYSA-N 0 0 336.388 2.152 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)ccn1 ZINC000257263405 244352419 /nfs/dbraw/zinc/35/24/19/244352419.db2.gz LPUFOWQCWGYVGD-OAHLLOKOSA-N 0 0 332.429 2.068 40 0 EEABRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000096467023 296142437 /nfs/dbraw/zinc/14/24/37/296142437.db2.gz SEFVSPBQKZWYGK-NOZJJQNGSA-N 0 0 348.415 2.106 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)nc(C)n1 ZINC000257327349 244537833 /nfs/dbraw/zinc/53/78/33/244537833.db2.gz XBALJYDHUIBKGN-HNNXBMFYSA-N 0 0 338.415 2.471 40 0 EEABRN O=C(CCc1cccc(F)c1)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257344189 244580749 /nfs/dbraw/zinc/58/07/49/244580749.db2.gz ZWCNQRIWIAUGRM-INIZCTEOSA-N 0 0 343.402 2.266 40 0 EEABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 ZINC000019752345 212061812 /nfs/dbraw/zinc/06/18/12/212061812.db2.gz BTSHUXXGILLXKJ-MRXNPFEDSA-N 0 0 345.491 2.240 40 0 EEABRN Cc1cnc(C(=O)Nc2ccc([C@@H]3CCc4nncn4C3)cc2)cn1 ZINC000019699033 212056096 /nfs/dbraw/zinc/05/60/96/212056096.db2.gz VPNCXQHYEKHNJC-CQSZACIVSA-N 0 0 334.383 2.359 40 0 EEABRN O=C(CN1CCC(Oc2ccccc2F)CC1)NCc1ccccn1 ZINC000019656728 212052945 /nfs/dbraw/zinc/05/29/45/212052945.db2.gz GOPNYUWVWKJCIX-UHFFFAOYSA-N 0 0 343.402 2.380 40 0 EEABRN COc1cccc(CN2CCN(C(=O)Cc3cccnc3)[C@@H](C)C2)c1 ZINC000019575598 212045284 /nfs/dbraw/zinc/04/52/84/212045284.db2.gz QGOGEZWDZACDSU-INIZCTEOSA-N 0 0 339.439 2.366 40 0 EEABRN COc1cc(C)c(S(=O)(=O)NCCc2cnccn2)cc1C(C)C ZINC000019567451 212044584 /nfs/dbraw/zinc/04/45/84/212044584.db2.gz QIOCTSSSRTVTGP-UHFFFAOYSA-N 0 0 349.456 2.438 40 0 EEABRN CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1=O ZINC000019526915 212037924 /nfs/dbraw/zinc/03/79/24/212037924.db2.gz MQJTZLQGGOXSIC-LSDHHAIUSA-N 0 0 346.427 2.236 40 0 EEABRN O=C(NCCCc1ccc(O)cc1)C(=O)Nc1cccc(F)c1F ZINC000077858040 216985853 /nfs/dbraw/zinc/98/58/53/216985853.db2.gz CWLHCBHKXXQBSZ-UHFFFAOYSA-N 0 0 334.322 2.358 40 0 EEABRN CC(C)n1nnc(CC(=O)Nc2ncc(Cc3ccccc3)s2)n1 ZINC000019455063 212029679 /nfs/dbraw/zinc/02/96/79/212029679.db2.gz ZDGYSKDCAWOKMA-UHFFFAOYSA-N 0 0 342.428 2.483 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000081701280 284266836 /nfs/dbraw/zinc/26/68/36/284266836.db2.gz SUKZUPJVSUXYIT-OALUTQOASA-N 0 0 346.386 2.430 40 0 EEABRN Cn1cc(-c2cc(C(=O)N3CCc4ncc(Cl)cc4C3)on2)cn1 ZINC000019290776 212011922 /nfs/dbraw/zinc/01/19/22/212011922.db2.gz LRHPZGMGCCMOBP-UHFFFAOYSA-N 0 0 343.774 2.322 40 0 EEABRN CCC(=O)N1CCC[C@H](C(=O)OCCc2c[nH]nc2C(F)(F)F)C1 ZINC000078442223 217053326 /nfs/dbraw/zinc/05/33/26/217053326.db2.gz DALLNFPOAMUOFI-NSHDSACASA-N 0 0 347.337 2.163 40 0 EEABRN CO[C@H]1CCC[C@H](OC(=O)CSc2nnnn2C2CCCC2)C1 ZINC000078442315 217054038 /nfs/dbraw/zinc/05/40/38/217054038.db2.gz LYGUPQWJHWDZRD-STQMWFEESA-N 0 0 340.449 2.381 40 0 EEABRN Cc1[nH]c2ccccc2c1CCNC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000135072552 223547180 /nfs/dbraw/zinc/54/71/80/223547180.db2.gz FMSGFGZNMNGURV-ZFWWWQNUSA-N 0 0 345.443 2.200 40 0 EEABRN O=C(CNC(=O)Nc1cccc(C(=O)c2ccccc2)c1)NC1CC1 ZINC000078550557 217073273 /nfs/dbraw/zinc/07/32/73/217073273.db2.gz BLMBMDIDKBKPRY-UHFFFAOYSA-N 0 0 337.379 2.318 40 0 EEABRN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000135580742 223591700 /nfs/dbraw/zinc/59/17/00/223591700.db2.gz DDLFUOHHPHVOHL-BXKDBHETSA-N 0 0 334.235 2.046 40 0 EEABRN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)n1cncn1 ZINC000079039546 217179846 /nfs/dbraw/zinc/17/98/46/217179846.db2.gz GCRQTSNTRDWBFK-CQSZACIVSA-N 0 0 341.415 2.350 40 0 EEABRN CN(C)c1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1F ZINC000079082619 217188757 /nfs/dbraw/zinc/18/87/57/217188757.db2.gz FJQCWTBDVXSRDK-UHFFFAOYSA-N 0 0 331.391 2.443 40 0 EEABRN CC[C@@H](C)n1nccc1NC(=O)CN1CC(=O)Nc2ccccc21 ZINC000079095031 217192059 /nfs/dbraw/zinc/19/20/59/217192059.db2.gz UDJPHWVSHCMFEK-GFCCVEGCSA-N 0 0 327.388 2.251 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCN(Cc2ccco2)CC1 ZINC000079121950 217197373 /nfs/dbraw/zinc/19/73/73/217197373.db2.gz QSNSBQJRVPULJK-UHFFFAOYSA-N 0 0 328.368 2.009 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000079311625 217207065 /nfs/dbraw/zinc/20/70/65/217207065.db2.gz ARWAHZJTPJQCEB-NSHDSACASA-N 0 0 345.384 2.389 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCCN1Cc1cn2ccsc2n1 ZINC000079311666 217207464 /nfs/dbraw/zinc/20/74/64/217207464.db2.gz JOCRAXFGCWEVDU-LLVKDONJSA-N 0 0 333.442 2.455 40 0 EEABRN Cc1cc(NC(=O)CN(C)[C@@H]2CCCc3nc(C)sc32)n(C)n1 ZINC000079354248 217213793 /nfs/dbraw/zinc/21/37/93/217213793.db2.gz HNCPZYHXJZBCMZ-CYBMUJFWSA-N 0 0 333.461 2.441 40 0 EEABRN COc1ccc(OC)c(-c2cc(C(=O)OCc3cnn(C)c3)no2)c1 ZINC000079321082 217208997 /nfs/dbraw/zinc/20/89/97/217208997.db2.gz XTAKZVFDYLIJNV-UHFFFAOYSA-N 0 0 343.339 2.449 40 0 EEABRN Cc1cc(C)n([C@@H](C)C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1 ZINC000080875917 217336343 /nfs/dbraw/zinc/33/63/43/217336343.db2.gz VECJFYKKVPLNDI-SJCJKPOMSA-N 0 0 337.370 2.363 40 0 EEABRN Nc1cncc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000012337504 211350363 /nfs/dbraw/zinc/35/03/63/211350363.db2.gz RRSDRZRUOPVCAV-UHFFFAOYSA-N 0 0 339.395 2.248 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000012337886 211350551 /nfs/dbraw/zinc/35/05/51/211350551.db2.gz NHGWBLPGFGIEQY-CQSZACIVSA-N 0 0 327.384 2.058 40 0 EEABRN Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115231 211293692 /nfs/dbraw/zinc/29/36/92/211293692.db2.gz XWOBDMDJTPKPMH-LLVKDONJSA-N 0 0 344.440 2.278 40 0 EEABRN CC[C@@H](Cn1nc2c(C)cc3ccccc3n2c1=O)NC(=O)C1CC1 ZINC000012146483 211305787 /nfs/dbraw/zinc/30/57/87/211305787.db2.gz WBFAXUCASUAEJU-HNNXBMFYSA-N 0 0 338.411 2.262 40 0 EEABRN COc1ccccc1C(=O)N1CCN(CCc2scnc2C)CC1 ZINC000095399420 218332449 /nfs/dbraw/zinc/33/24/49/218332449.db2.gz DSUVYXRRLRRBBS-UHFFFAOYSA-N 0 0 345.468 2.461 40 0 EEABRN C[C@@H](Cn1cnnc1)NC(=O)NCc1ccccc1OC1CCCC1 ZINC000095416761 218355658 /nfs/dbraw/zinc/35/56/58/218355658.db2.gz PEECTCMOJHIVMJ-AWEZNQCLSA-N 0 0 343.431 2.487 40 0 EEABRN CC1(C)CN(Cc2ccc(OCC(F)(F)F)nc2)CC[S@]1=O ZINC000095422771 218364829 /nfs/dbraw/zinc/36/48/29/218364829.db2.gz GYHXKDARVCWEKO-QFIPXVFZSA-N 0 0 336.379 2.366 40 0 EEABRN CNC(=O)C(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000095449044 218393147 /nfs/dbraw/zinc/39/31/47/218393147.db2.gz YNRIERFAEULNRO-UHFFFAOYSA-N 0 0 337.379 2.383 40 0 EEABRN Nc1nnnn1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000007602412 210818909 /nfs/dbraw/zinc/81/89/09/210818909.db2.gz XCNYKGBKFLIUAW-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)no1 ZINC000096046293 218532675 /nfs/dbraw/zinc/53/26/75/218532675.db2.gz ROILMGFZVAVYBE-FPMFFAJLSA-N 0 0 344.371 2.236 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)o1 ZINC000096061472 218554242 /nfs/dbraw/zinc/55/42/42/218554242.db2.gz CYBIMUIDFNUCOW-HNNXBMFYSA-N 0 0 339.395 2.262 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)CC1CC1)C2 ZINC000096075075 218574129 /nfs/dbraw/zinc/57/41/29/218574129.db2.gz LIEJCMXBONLZCA-APWZRJJASA-N 0 0 327.428 2.079 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096089914 218585643 /nfs/dbraw/zinc/58/56/43/218585643.db2.gz BAERPHDFFFPRBL-IEBWSBKVSA-N 0 0 339.395 2.319 40 0 EEABRN COCCNC(=O)c1nc(-c2cn(C(C)C)c(C)n2)n2ccccc12 ZINC000096155088 218630467 /nfs/dbraw/zinc/63/04/67/218630467.db2.gz ITFZCHWKNMKTBF-UHFFFAOYSA-N 0 0 341.415 2.463 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 ZINC000096158864 218634743 /nfs/dbraw/zinc/63/47/43/218634743.db2.gz SIRKUOMMISGHQJ-UHFFFAOYSA-N 0 0 347.440 2.243 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1ccccc1 ZINC000096200081 218671073 /nfs/dbraw/zinc/67/10/73/218671073.db2.gz MFXIDLOBTPTBIJ-RCCFBDPRSA-N 0 0 333.428 2.041 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096219607 218694818 /nfs/dbraw/zinc/69/48/18/218694818.db2.gz RGMDTPLSEOGOTO-YJBOKZPZSA-N 0 0 343.383 2.050 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)N[C@H](C)Cc2c(C)noc2C)n1 ZINC000096415308 218774483 /nfs/dbraw/zinc/77/44/83/218774483.db2.gz HRDJWNRIXHSZFK-PWSUYJOCSA-N 0 0 333.436 2.424 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)s1 ZINC000096421427 218787018 /nfs/dbraw/zinc/78/70/18/218787018.db2.gz GHRABHQKFNEADS-BDJLRTHQSA-N 0 0 336.461 2.366 40 0 EEABRN O=C(CCCn1cncn1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423810 218791821 /nfs/dbraw/zinc/79/18/21/218791821.db2.gz WVZXMJKRAGOYEL-CQSZACIVSA-N 0 0 347.850 2.497 40 0 EEABRN C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-n2cccn2)cc1 ZINC000096435139 218813349 /nfs/dbraw/zinc/81/33/49/218813349.db2.gz YASLTJHRUWOPHQ-ZDUSSCGKSA-N 0 0 337.383 2.454 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccccc1F ZINC000096519756 218881802 /nfs/dbraw/zinc/88/18/02/218881802.db2.gz HOUDFNNNMLKYOG-RKDXNWHRSA-N 0 0 331.590 2.191 40 0 EEABRN COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1nnc2ccccc21 ZINC000005014783 210362381 /nfs/dbraw/zinc/36/23/81/210362381.db2.gz HKMOCCSKXOMWPK-AWEZNQCLSA-N 0 0 341.367 2.082 40 0 EEABRN Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)c1 ZINC000004890060 210312853 /nfs/dbraw/zinc/31/28/53/210312853.db2.gz IQCUWVCYULVLQQ-UHFFFAOYSA-N 0 0 332.429 2.408 40 0 EEABRN Cc1ccc(CNc2cnn(C)c(=O)c2Cl)c(N2CCCC2)n1 ZINC000097237194 219003011 /nfs/dbraw/zinc/00/30/11/219003011.db2.gz YDAQGEUTKSDGBH-UHFFFAOYSA-N 0 0 333.823 2.349 40 0 EEABRN C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1nccs1 ZINC000097373780 219017135 /nfs/dbraw/zinc/01/71/35/219017135.db2.gz UAHBRIFVYGBVNF-TZMCWYRMSA-N 0 0 344.440 2.351 40 0 EEABRN Cc1noc(C)c1Cc1nc([C@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000274019309 256346598 /nfs/dbraw/zinc/34/65/98/256346598.db2.gz SRDAJACBEOJPOD-ZDUSSCGKSA-N 0 0 330.388 2.381 40 0 EEABRN CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(Cc1cnn(C(C)C)c1)CC2 ZINC000306136256 257922453 /nfs/dbraw/zinc/92/24/53/257922453.db2.gz POERFRCVONIDDB-CQSZACIVSA-N 0 0 344.463 2.376 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000257173049 257998556 /nfs/dbraw/zinc/99/85/56/257998556.db2.gz BORNFASFLYWUIR-UHFFFAOYSA-N 0 0 341.455 2.444 40 0 EEABRN CC[C@H](NC(=O)N1CCC[C@H]1c1ccccc1)C(=O)N1CCOCC1 ZINC000176620129 258071843 /nfs/dbraw/zinc/07/18/43/258071843.db2.gz NTQDUMRVJCAQIB-IRXDYDNUSA-N 0 0 345.443 2.171 40 0 EEABRN CCOC(=O)[C@H](C)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327512 285909915 /nfs/dbraw/zinc/90/99/15/285909915.db2.gz QDEKUHMSPGWBFV-ORAYPTAESA-N 0 0 345.395 2.355 40 0 EEABRN COc1ccnc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1 ZINC000078393956 286524485 /nfs/dbraw/zinc/52/44/85/286524485.db2.gz LWDZWADDJHOJOJ-UHFFFAOYSA-N 0 0 339.321 2.226 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000057355504 296862744 /nfs/dbraw/zinc/86/27/44/296862744.db2.gz LKYKWHNAFHHYNR-CXHZTBPHSA-N 0 0 330.428 2.232 40 0 EEABRN Cc1cccn2c(=O)c(C(=O)NCCCc3ccccc3)c(O)nc12 ZINC000164571814 226082617 /nfs/dbraw/zinc/08/26/17/226082617.db2.gz JAXRNYZRYZCQRR-UHFFFAOYSA-N 0 0 337.379 2.071 40 0 EEABRN COC(=O)c1sc2ncn3nc(-c4cc(C)nn4C)nc3c2c1C ZINC000002790903 274011570 /nfs/dbraw/zinc/01/15/70/274011570.db2.gz VMFVXTPYSHZLQT-UHFFFAOYSA-N 0 0 342.384 2.143 40 0 EEABRN COc1ccccc1N1CC[C@H](N[C@H](CCO)c2ccco2)C1=O ZINC000192787992 278056247 /nfs/dbraw/zinc/05/62/47/278056247.db2.gz TYWQRNMIBUFBKH-KGLIPLIRSA-N 0 0 330.384 2.107 40 0 EEABRN CC(=O)Nc1cccc(CN2CCNC(=O)[C@H]2c2cccs2)c1 ZINC000072799538 278208490 /nfs/dbraw/zinc/20/84/90/278208490.db2.gz RLHWVQPEUWEDDY-MRXNPFEDSA-N 0 0 329.425 2.380 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000096477118 278301655 /nfs/dbraw/zinc/30/16/55/278301655.db2.gz QFMLBKBVLLZQFB-WCQYABFASA-N 0 0 341.337 2.139 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)NC1CCCC1)CC2 ZINC000096254725 279089428 /nfs/dbraw/zinc/08/94/28/279089428.db2.gz FLRLCVODRBYMPN-UHFFFAOYSA-N 0 0 343.475 2.438 40 0 EEABRN Fc1cnc(N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222504 279473231 /nfs/dbraw/zinc/47/32/31/279473231.db2.gz RSILPRNWDAOVQI-DOTOQJQBSA-N 0 0 330.363 2.218 40 0 EEABRN O=C1C2=C(CCC2)C(=O)N1c1ccc(N2C(=O)C3=C(CCC3)C2=O)cc1 ZINC000001851975 280247919 /nfs/dbraw/zinc/24/79/19/280247919.db2.gz WHTQTENPSQCGBV-UHFFFAOYSA-N 0 0 348.358 2.394 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CCN(c4ncc(C)cn4)C3)C2=O)cs1 ZINC000096159447 293267727 /nfs/dbraw/zinc/26/77/27/293267727.db2.gz HFGBDJVDYJHHGK-KRWDZBQOSA-N 0 0 343.456 2.179 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cc(C)on1 ZINC000257254719 295391841 /nfs/dbraw/zinc/39/18/41/295391841.db2.gz KEJJWQSXENDSHJ-INIZCTEOSA-N 0 0 343.383 2.037 40 0 EEABRN O=C(c1cscn1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257324953 304604057 /nfs/dbraw/zinc/60/40/57/304604057.db2.gz WQWWLXRFFVSIEJ-LBPRGKRZSA-N 0 0 329.385 2.259 40 0 EEABRN Cc1cc(Br)c2c(c1)C(=O)[C@@](CN(C)C)(N(C)C)CO2 ZINC000019203077 301069105 /nfs/dbraw/zinc/06/91/05/301069105.db2.gz OANMGTCMXVFIDH-HNNXBMFYSA-N 0 0 341.249 2.195 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)s1 ZINC000134677774 301391145 /nfs/dbraw/zinc/39/11/45/301391145.db2.gz YWLQLGJRDAUZBK-RYUDHWBXSA-N 0 0 333.500 2.260 40 0 EEABRN OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000004305808 304832083 /nfs/dbraw/zinc/83/20/83/304832083.db2.gz LIHCUFZIUGBQAA-QCODTGAPSA-N 0 0 340.416 2.224 40 0 EEABRN C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000332833389 312060771 /nfs/dbraw/zinc/06/07/71/312060771.db2.gz GKNLBWQGHNPYNV-LRDDRELGSA-N 0 0 331.391 2.292 40 0 EEABRN Cn1cccc1[C@@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000097379443 323323005 /nfs/dbraw/zinc/32/30/05/323323005.db2.gz WLHNXGZGZBLBDR-INIZCTEOSA-N 0 0 338.367 2.289 40 0 EEABRN COCc1nc(C(=O)NCc2nc[nH]n2)c(-c2ccccc2)s1 ZINC000252488811 464965533 /nfs/dbraw/zinc/96/55/33/464965533.db2.gz IZOWHCMOXYKIDJ-UHFFFAOYSA-N 0 0 329.385 2.005 40 0 EEABRN O=C(NCCCc1ccccc1)N1CCC(N2CCCC2=O)CC1 ZINC000085436552 462547737 /nfs/dbraw/zinc/54/77/37/462547737.db2.gz VMCOVVWODSCELC-UHFFFAOYSA-N 0 0 329.444 2.416 40 0 EEABRN O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000000837458 462574651 /nfs/dbraw/zinc/57/46/51/462574651.db2.gz HQDZGYFXCHDUPL-UHFFFAOYSA-N 0 0 346.408 2.429 40 0 EEABRN CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000006051089 462676220 /nfs/dbraw/zinc/67/62/20/462676220.db2.gz PNCXEYSSYYIUBN-ZDUSSCGKSA-N 0 0 334.441 2.423 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000006504331 462687926 /nfs/dbraw/zinc/68/79/26/462687926.db2.gz ZUTRBHOQPBMFSL-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN COc1ccccc1[C@H](NC(=O)c1cnsn1)c1ccccn1 ZINC000089848271 462727289 /nfs/dbraw/zinc/72/72/89/462727289.db2.gz YZCGTKWLQYLMGY-HNNXBMFYSA-N 0 0 326.381 2.461 40 0 EEABRN Cc1cccc(NC(=O)CN2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000089925887 462742788 /nfs/dbraw/zinc/74/27/88/462742788.db2.gz XVFLHASZWPXSGU-SFHVURJKSA-N 0 0 342.443 2.113 40 0 EEABRN CC(C)c1nnc(C2CCN(CC(=O)NCc3ccco3)CC2)o1 ZINC000090591194 462802032 /nfs/dbraw/zinc/80/20/32/462802032.db2.gz SOIYCPWFKARZMF-UHFFFAOYSA-N 0 0 332.404 2.282 40 0 EEABRN Cc1c(F)cccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCC(C)C ZINC000010128595 462813150 /nfs/dbraw/zinc/81/31/50/462813150.db2.gz MOJXCTLTZULSNI-WFASDCNBSA-N 0 0 338.379 2.300 40 0 EEABRN CCc1cnc([C@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000131539125 462814753 /nfs/dbraw/zinc/81/47/53/462814753.db2.gz NENMPIWFUNHJJD-LBPRGKRZSA-N 0 0 346.456 2.428 40 0 EEABRN CC[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1c(C)nn(C)c1C ZINC000076202637 462822236 /nfs/dbraw/zinc/82/22/36/462822236.db2.gz QAFHGPWIMMEVQC-SUMWQHHRSA-N 0 0 334.420 2.288 40 0 EEABRN CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076498454 462869529 /nfs/dbraw/zinc/86/95/29/462869529.db2.gz VLNZWHOOQGWCGM-KBPBESRZSA-N 0 0 329.487 2.495 40 0 EEABRN CCN(Cc1ccccc1)C(=O)COc1cc(OC)ccc1C(N)=O ZINC000048231088 462876809 /nfs/dbraw/zinc/87/68/09/462876809.db2.gz DDAWYMYPSFISJG-UHFFFAOYSA-N 0 0 342.395 2.222 40 0 EEABRN COCCOCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000048299430 462889929 /nfs/dbraw/zinc/88/99/29/462889929.db2.gz PEFKAEYBTPXENO-UHFFFAOYSA-N 0 0 342.244 2.325 40 0 EEABRN CCCC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 ZINC000077135610 462942568 /nfs/dbraw/zinc/94/25/68/462942568.db2.gz ZFMMXEFWRVYLBH-UHFFFAOYSA-N 0 0 328.416 2.077 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000015587262 462956540 /nfs/dbraw/zinc/95/65/40/462956540.db2.gz BOKJDLNHFHVOQP-UHFFFAOYSA-N 0 0 330.409 2.404 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](Nc2ncc(Br)cn2)C1 ZINC000077235722 462957605 /nfs/dbraw/zinc/95/76/05/462957605.db2.gz XCMPOWGMIUGJOI-UWVGGRQHSA-N 0 0 334.239 2.007 40 0 EEABRN CC[C@@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000156725962 463061231 /nfs/dbraw/zinc/06/12/31/463061231.db2.gz AKHSYAABKZMBJD-DOMZBBRYSA-N 0 0 340.217 2.237 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 ZINC000096038473 463142339 /nfs/dbraw/zinc/14/23/39/463142339.db2.gz UGLPYVZXWUMFAP-UHFFFAOYSA-N 0 0 341.411 2.182 40 0 EEABRN COC[C@H]1CN(C(=O)Cc2ccccn2)Cc2ncn(CC3CC3)c21 ZINC000096045083 463148837 /nfs/dbraw/zinc/14/88/37/463148837.db2.gz QOTVMFXGGIQONF-OAHLLOKOSA-N 0 0 340.427 2.003 40 0 EEABRN Cn1cc(CN2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1 ZINC000096046284 463149776 /nfs/dbraw/zinc/14/97/76/463149776.db2.gz VRNHLSMWLMTGTM-SOUVJXGZSA-N 0 0 329.404 2.033 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccccc4)C[C@H]3O2)[nH]1 ZINC000096046211 463150044 /nfs/dbraw/zinc/15/00/44/463150044.db2.gz NPYHIHHAFSFVMT-ARFHVFGLSA-N 0 0 326.400 2.034 40 0 EEABRN CCOC[C@@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045620 463150244 /nfs/dbraw/zinc/15/02/44/463150244.db2.gz FUAJGAZULINYOZ-INIZCTEOSA-N 0 0 327.432 2.219 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096048672 463151252 /nfs/dbraw/zinc/15/12/52/463151252.db2.gz HNZDZLCRRDPFGE-IBGZPJMESA-N 0 0 339.395 2.330 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cs1 ZINC000096072810 463167240 /nfs/dbraw/zinc/16/72/40/463167240.db2.gz DPAQIXHOIHDGST-BBRMVZONSA-N 0 0 349.435 2.226 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cs1 ZINC000096072768 463167991 /nfs/dbraw/zinc/16/79/91/463167991.db2.gz WKEZOGKALAKHEZ-RHSMWYFYSA-N 0 0 345.472 2.395 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000135533988 463170460 /nfs/dbraw/zinc/17/04/60/463170460.db2.gz IXGVRSQGXLCIAF-SDDRHHMPSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096092288 463170649 /nfs/dbraw/zinc/17/06/49/463170649.db2.gz HJGKHBHFKWBSMK-GZBFAFLISA-N 0 0 332.331 2.265 40 0 EEABRN CS(=O)(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000096098253 463172081 /nfs/dbraw/zinc/17/20/81/463172081.db2.gz CBUWFOQTXSUEFA-UHFFFAOYSA-N 0 0 330.837 2.059 40 0 EEABRN Cc1cc(C(=O)N2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc(C)n1 ZINC000096107730 463175513 /nfs/dbraw/zinc/17/55/13/463175513.db2.gz YCRIOYYRRULTLC-MJGOQNOKSA-N 0 0 330.428 2.499 40 0 EEABRN Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)CC2CC2)C3)cs1 ZINC000096108922 463176959 /nfs/dbraw/zinc/17/69/59/463176959.db2.gz ZMRSAFUDQTVLHH-PBHICJAKSA-N 0 0 336.457 2.243 40 0 EEABRN Cc1cc(CNC(=O)Nc2cccc(F)c2)nc(N2CCOCC2)n1 ZINC000096121301 463182568 /nfs/dbraw/zinc/18/25/68/463182568.db2.gz DPVOCJMKANBIOL-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN CCOC[C@@H]1Cn2ccnc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096187804 463199064 /nfs/dbraw/zinc/19/90/64/463199064.db2.gz RHQZVOOSHAHVKI-OAHLLOKOSA-N 0 0 349.456 2.049 40 0 EEABRN O=C(c1ccccn1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC000096186749 463199221 /nfs/dbraw/zinc/19/92/21/463199221.db2.gz KSRURRKNYCZYOB-NJAFHUGGSA-N 0 0 339.395 2.318 40 0 EEABRN Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096188576 463200362 /nfs/dbraw/zinc/20/03/62/463200362.db2.gz RNLSXVRYXABEDU-AWEZNQCLSA-N 0 0 341.440 2.422 40 0 EEABRN Cc1c(CNC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)cnn1C ZINC000096192940 463201107 /nfs/dbraw/zinc/20/11/07/463201107.db2.gz GVPADKMGLJHKEZ-KRWDZBQOSA-N 0 0 330.363 2.067 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)Nc3nnc(C)s3)C2)cc1 ZINC000096192757 463201369 /nfs/dbraw/zinc/20/13/69/463201369.db2.gz FDWOZKKQVRZTSI-HNNXBMFYSA-N 0 0 332.385 2.377 40 0 EEABRN CCOC[C@H]1c2c(cnn2C)CCN1C(=O)COc1ccccc1C ZINC000096197760 463203139 /nfs/dbraw/zinc/20/31/39/463203139.db2.gz PKDMAKUNKNCKNA-INIZCTEOSA-N 0 0 343.427 2.270 40 0 EEABRN O=C(NCc1cn2c(n1)CN(Cc1cccs1)CC2)C1CCC1 ZINC000096197425 463203406 /nfs/dbraw/zinc/20/34/06/463203406.db2.gz KBNRQPPNBRYCKK-UHFFFAOYSA-N 0 0 330.457 2.377 40 0 EEABRN COCCO[C@H]1CCN(c2ncc(F)cn2)[C@H]1Cc1ccccc1 ZINC000096200411 463205969 /nfs/dbraw/zinc/20/59/69/463205969.db2.gz AYUFWUGFOMOAKZ-IRXDYDNUSA-N 0 0 331.391 2.469 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000096205823 463208684 /nfs/dbraw/zinc/20/86/84/463208684.db2.gz KNGJKVFMXSOHJS-HNNXBMFYSA-N 0 0 339.457 2.201 40 0 EEABRN Cc1cc(CN2CC[C@]3(C2)C[C@H](NC(=O)c2ccco2)CCO3)no1 ZINC000096205799 463208897 /nfs/dbraw/zinc/20/88/97/463208897.db2.gz YBHZGYULEJABQZ-RDTXWAMCSA-N 0 0 345.399 2.130 40 0 EEABRN Cc1nnc(N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000096219012 463215898 /nfs/dbraw/zinc/21/58/98/463215898.db2.gz QWSWVRUAOXEXBB-ZBFHGGJFSA-N 0 0 332.429 2.448 40 0 EEABRN Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@H]4CCCO4)CCO3)C2)c1 ZINC000096226269 463221167 /nfs/dbraw/zinc/22/11/67/463221167.db2.gz DKAOEKCMSXYTFH-QUCCMNQESA-N 0 0 344.455 2.372 40 0 EEABRN COc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028283961 463221671 /nfs/dbraw/zinc/22/16/71/463221671.db2.gz HCJFDWLHTHXKCN-OLZOCXBDSA-N 0 0 348.424 2.432 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228229 463222468 /nfs/dbraw/zinc/22/24/68/463222468.db2.gz GFXLIAYWOMBZHE-UHFFFAOYSA-N 0 0 338.411 2.207 40 0 EEABRN Cc1cccc(CN2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2=O)n1 ZINC000096245373 463225866 /nfs/dbraw/zinc/22/58/66/463225866.db2.gz MDOFDOFGARGMJS-ZBFHGGJFSA-N 0 0 341.436 2.182 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)Cc2ccccc2)CC12CCOCC2 ZINC000096240758 463225928 /nfs/dbraw/zinc/22/59/28/463225928.db2.gz PHHCLTSXMYHBDN-QGZVFWFLSA-N 0 0 344.455 2.009 40 0 EEABRN Cc1ccccc1[C@H](O)CNC(=O)NC1CCN(CC(F)F)CC1 ZINC000096405747 463239292 /nfs/dbraw/zinc/23/92/92/463239292.db2.gz UUDVNUIZILZAKA-OAHLLOKOSA-N 0 0 341.402 2.057 40 0 EEABRN O=C(C[C@@H]1OCCc2ccccc21)NC[C@@H](O)Cc1ccccc1 ZINC000096406917 463240426 /nfs/dbraw/zinc/24/04/26/463240426.db2.gz NBQFADVKERYEHR-HKUYNNGSSA-N 0 0 325.408 2.410 40 0 EEABRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000096410970 463243377 /nfs/dbraw/zinc/24/33/77/463243377.db2.gz NWBXWYJFMULQAI-IRXDYDNUSA-N 0 0 349.394 2.015 40 0 EEABRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC[C@@H](O)C(F)(F)F ZINC000096413319 463245695 /nfs/dbraw/zinc/24/56/95/463245695.db2.gz YCPKUMZKRIZYPP-VXGBXAGGSA-N 0 0 332.322 2.349 40 0 EEABRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(=O)N(C)C ZINC000096414245 463247184 /nfs/dbraw/zinc/24/71/84/463247184.db2.gz ZLUXAULAQFMQLM-NSHDSACASA-N 0 0 330.350 2.431 40 0 EEABRN CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000096416113 463248158 /nfs/dbraw/zinc/24/81/58/463248158.db2.gz HKAGSBBVNZLWFM-UHFFFAOYSA-N 0 0 328.359 2.351 40 0 EEABRN O=C(Oc1ccc(-n2cccn2)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000096418403 463250562 /nfs/dbraw/zinc/25/05/62/463250562.db2.gz WRTFYVFDHOMSFK-HNNXBMFYSA-N 0 0 339.395 2.426 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000096421552 463253205 /nfs/dbraw/zinc/25/32/05/463253205.db2.gz WYQBKIOQHUYEQB-MHEUCROKSA-N 0 0 347.463 2.034 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1csnn1 ZINC000096423848 463253838 /nfs/dbraw/zinc/25/38/38/463253838.db2.gz UUMNVFLHLKFPEP-JTQLQIEISA-N 0 0 336.804 2.117 40 0 EEABRN COc1cccc(F)c1[C@H](C)NC(=O)c1sccc1-n1cnnn1 ZINC000096425692 463254602 /nfs/dbraw/zinc/25/46/02/463254602.db2.gz ZQKCSEPJXPWYEK-VIFPVBQESA-N 0 0 347.375 2.363 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN(CC(=O)N(C)Cc2ccco2)CC1 ZINC000096424278 463254901 /nfs/dbraw/zinc/25/49/01/463254901.db2.gz AUEBSWNVVHLBTN-INIZCTEOSA-N 0 0 342.443 2.012 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c1C ZINC000096424124 463255346 /nfs/dbraw/zinc/25/53/46/463255346.db2.gz HHHDEJDPYMBFGU-AWEZNQCLSA-N 0 0 349.456 2.049 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000096426110 463256009 /nfs/dbraw/zinc/25/60/09/463256009.db2.gz VKTUKWSFXXFUGU-NRFANRHFSA-N 0 0 338.454 2.213 40 0 EEABRN O=C(c1cccc(NCCOCC(F)(F)F)c1)N1CCC[C@H](O)C1 ZINC000096427486 463257086 /nfs/dbraw/zinc/25/70/86/463257086.db2.gz IIGDDHGFAUUOJK-AWEZNQCLSA-N 0 0 346.349 2.274 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000096437657 463265560 /nfs/dbraw/zinc/26/55/60/463265560.db2.gz IDWVIRDRPWVGCO-ZDUSSCGKSA-N 0 0 341.419 2.142 40 0 EEABRN C[C@@H]1CN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000096447124 463271041 /nfs/dbraw/zinc/27/10/41/463271041.db2.gz HVFPVZSSAVWGPA-BETUJISGSA-N 0 0 337.489 2.090 40 0 EEABRN Cc1cnc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cn1 ZINC000096450139 463272020 /nfs/dbraw/zinc/27/20/20/463272020.db2.gz FGJMMZBCCIUAKH-UHFFFAOYSA-N 0 0 328.763 2.331 40 0 EEABRN Cc1csc(CCCNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000096456349 463275692 /nfs/dbraw/zinc/27/56/92/463275692.db2.gz CQKWTVXPEUKNEZ-GFCCVEGCSA-N 0 0 338.477 2.083 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1sccc1C ZINC000096473415 463279095 /nfs/dbraw/zinc/27/90/95/463279095.db2.gz HDBXEVZRMUSUFJ-LLVKDONJSA-N 0 0 335.433 2.129 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000096470163 463279203 /nfs/dbraw/zinc/27/92/03/463279203.db2.gz FCUXPFWWXAKBGJ-KCJUWKMLSA-N 0 0 334.235 2.273 40 0 EEABRN Cc1[nH]ccc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000096470958 463279212 /nfs/dbraw/zinc/27/92/12/463279212.db2.gz FQEQGLBEEHMJNL-QZTJIDSGSA-N 0 0 325.412 2.049 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)NCCc2cnn(C)c2C)cc1F ZINC000096476137 463280565 /nfs/dbraw/zinc/28/05/65/463280565.db2.gz BYMTZLAURYEXBD-LLVKDONJSA-N 0 0 334.395 2.479 40 0 EEABRN Cc1nc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)sc1C ZINC000096484034 463282525 /nfs/dbraw/zinc/28/25/25/463282525.db2.gz JBGQNGMQGCJLOD-UHFFFAOYSA-N 0 0 325.825 2.236 40 0 EEABRN Cc1cnn(CCCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000096493993 463287883 /nfs/dbraw/zinc/28/78/83/463287883.db2.gz LCQUGXLFIABURU-SFHVURJKSA-N 0 0 342.443 2.235 40 0 EEABRN Cc1ccc([C@H](O)[C@@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519743 463294392 /nfs/dbraw/zinc/29/43/92/463294392.db2.gz DQQCBBDOKAKARM-UWVGGRQHSA-N 0 0 327.627 2.361 40 0 EEABRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccn(C2CCCC2)n1 ZINC000097101013 463324395 /nfs/dbraw/zinc/32/43/95/463324395.db2.gz CYJPSXFOQOBFPR-UHFFFAOYSA-N 0 0 341.477 2.284 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCc1cccc2ccccc21 ZINC000069924360 463352295 /nfs/dbraw/zinc/35/22/95/463352295.db2.gz FOIGWPVLTQHWTR-CQSZACIVSA-N 0 0 348.468 2.457 40 0 EEABRN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[C@H](CC(N)=O)C1 ZINC000097372056 463355499 /nfs/dbraw/zinc/35/54/99/463355499.db2.gz RRDQHFJBUGXCLM-MEBBXXQBSA-N 0 0 342.798 2.281 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)CN1c2ccccc2C(C)(C)C1=O ZINC000057355600 463480378 /nfs/dbraw/zinc/48/03/78/463480378.db2.gz QCHZXJFNXPWHSV-UHFFFAOYSA-N 0 0 326.400 2.300 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)C[C@@H](C)O1 ZINC000072238159 463485552 /nfs/dbraw/zinc/48/55/52/463485552.db2.gz QRTZUUSWXNRGED-JXFSHQFZSA-N 0 0 336.457 2.293 40 0 EEABRN CCS(=O)(=O)N1CC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000072383736 463509228 /nfs/dbraw/zinc/50/92/28/463509228.db2.gz AWXSQRYQFWIIGR-CQSZACIVSA-N 0 0 347.444 2.329 40 0 EEABRN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CN1CCCCC1 ZINC000058131513 463541274 /nfs/dbraw/zinc/54/12/74/463541274.db2.gz PJPNPEYIGGPWCU-MRXNPFEDSA-N 0 0 326.400 2.074 40 0 EEABRN CNS(=O)(=O)CC(=O)N([C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000083600547 463552310 /nfs/dbraw/zinc/55/23/10/463552310.db2.gz JQYRBZNINIQEFB-ZDUSSCGKSA-N 0 0 346.452 2.441 40 0 EEABRN COCCO[C@@H]1CCN(c2ncc(C)cn2)[C@@H]1Cc1cccnc1 ZINC000107217201 463563018 /nfs/dbraw/zinc/56/30/18/463563018.db2.gz IHTNXRWYRAAHIK-IAGOWNOFSA-N 0 0 328.416 2.033 40 0 EEABRN Cc1ccc(CNC(=O)CN2C=Nc3ccccc3S2(=O)=O)s1 ZINC000058278736 463565992 /nfs/dbraw/zinc/56/59/92/463565992.db2.gz OIVLVUJXTOUFKZ-UHFFFAOYSA-N 0 0 349.437 2.037 40 0 EEABRN CC(C)c1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n[nH]1 ZINC000060065664 463648583 /nfs/dbraw/zinc/64/85/83/463648583.db2.gz CJUYIZFPUNPBLV-UHFFFAOYSA-N 0 0 348.428 2.108 40 0 EEABRN O=c1/c(=C/c2ccc3c(c2)OCCO3)sc2nc3ccccc3n12 ZINC000109974399 463654193 /nfs/dbraw/zinc/65/41/93/463654193.db2.gz SYUXQLOPLZENQC-YBEGLDIGSA-N 0 0 336.372 2.228 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCC1CCN(c2ncccn2)CC1 ZINC000043976912 463664079 /nfs/dbraw/zinc/66/40/79/463664079.db2.gz YZTCVPPPFIWULY-UHFFFAOYSA-N 0 0 328.391 2.191 40 0 EEABRN C[C@]1(NC(=O)c2cc(Cl)sc2Cl)CCS(=O)(=O)C1 ZINC000044868320 463697158 /nfs/dbraw/zinc/69/71/58/463697158.db2.gz GOVSOYMETHLMHZ-JTQLQIEISA-N 0 0 328.242 2.362 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000257228637 463755833 /nfs/dbraw/zinc/75/58/33/463755833.db2.gz FUQUWHMBMZOZRL-INIZCTEOSA-N 0 0 330.432 2.357 40 0 EEABRN Cc1cc([C@@H]2CCCCN2C(=O)CCn2ccnc2)nc2ccnn21 ZINC000257215793 463756258 /nfs/dbraw/zinc/75/62/58/463756258.db2.gz CRRPJXSLKGUDAA-INIZCTEOSA-N 0 0 338.415 2.378 40 0 EEABRN CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccncc2)cn1 ZINC000257278398 463758074 /nfs/dbraw/zinc/75/80/74/463758074.db2.gz OCCALMOHXFPRBK-UHFFFAOYSA-N 0 0 335.411 2.259 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)ccn1 ZINC000257280632 463759632 /nfs/dbraw/zinc/75/96/32/463759632.db2.gz OLQPYFWVLUYTMQ-CQSZACIVSA-N 0 0 326.400 2.268 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)cn1 ZINC000257302606 463768220 /nfs/dbraw/zinc/76/82/20/463768220.db2.gz SDNUJRXUNREXGH-UHFFFAOYSA-N 0 0 337.427 2.311 40 0 EEABRN COc1ncccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(C)=O ZINC000257313820 463773745 /nfs/dbraw/zinc/77/37/45/463773745.db2.gz UUFXAWACTWUFKR-YJBOKZPZSA-N 0 0 331.416 2.096 40 0 EEABRN CNC(=O)c1sc2nc([C@]3(C)CCCN(C(C)=O)C3)ccc2c1N ZINC000257319897 463775895 /nfs/dbraw/zinc/77/58/95/463775895.db2.gz VUNOESKSLWNKCF-QGZVFWFLSA-N 0 0 346.456 2.138 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257321492 463778630 /nfs/dbraw/zinc/77/86/30/463778630.db2.gz WBXJTBYUHQVKJK-OAHLLOKOSA-N 0 0 331.347 2.025 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(Cc3scnc3C)CCN2C)c1 ZINC000257328089 463779268 /nfs/dbraw/zinc/77/92/68/463779268.db2.gz XEBJJFDETZSVDM-MRXNPFEDSA-N 0 0 344.484 2.300 40 0 EEABRN O=C(c1ncccn1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257332875 463781143 /nfs/dbraw/zinc/78/11/43/463781143.db2.gz XZDFJEQJKVAUNB-MRXNPFEDSA-N 0 0 348.406 2.356 40 0 EEABRN CC(C)Oc1ccc([C@@H]2CN(C(=O)c3nccn3C)CCN2C)cc1 ZINC000257333722 463782925 /nfs/dbraw/zinc/78/29/25/463782925.db2.gz YCUDHMWLLODLFX-KRWDZBQOSA-N 0 0 342.443 2.336 40 0 EEABRN Cn1c(CN2CCC[C@H](Cc3nccnc3N)C2)nc2ccccc21 ZINC000257339624 463785380 /nfs/dbraw/zinc/78/53/80/463785380.db2.gz ZCNTUUUXXLDJLP-CQSZACIVSA-N 0 0 336.443 2.400 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@@H](C)c3cn(C)nc3C)CCO2)n1 ZINC000194204263 463814166 /nfs/dbraw/zinc/81/41/66/463814166.db2.gz ZIUHSCZDMOPDLT-FZMZJTMJSA-N 0 0 349.460 2.338 40 0 EEABRN CCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000178848376 463991181 /nfs/dbraw/zinc/99/11/81/463991181.db2.gz UAGYFIOLNYIOOS-UHFFFAOYSA-N 0 0 338.360 2.223 40 0 EEABRN CC(C)[C@H](NC(=O)N1C[C@@H](C)S[C@@H](C)C1)c1nnc2n1CCC2 ZINC000195531360 464071896 /nfs/dbraw/zinc/07/18/96/464071896.db2.gz JYHAJWRYGCGVCY-SCRDCRAPSA-N 0 0 337.493 2.457 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCC[C@@H](O)C(F)(F)F)C12CCCC2 ZINC000195531410 464072039 /nfs/dbraw/zinc/07/20/39/464072039.db2.gz NDVTVLAAVJPCQP-IJLUTSLNSA-N 0 0 338.370 2.337 40 0 EEABRN C[S@](=O)c1ccc(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000195564975 464077564 /nfs/dbraw/zinc/07/75/64/464077564.db2.gz YCKYJVCWXATKKR-UIMAMFOWSA-N 0 0 336.457 2.181 40 0 EEABRN Cc1ccc(CNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222408457 464129985 /nfs/dbraw/zinc/12/99/85/464129985.db2.gz LPONTAAEMDYWDE-UHFFFAOYSA-N 0 0 332.425 2.321 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCO)c1ccccc1 ZINC000223471467 464144328 /nfs/dbraw/zinc/14/43/28/464144328.db2.gz ABCJGXHNJNTRDL-SFHVURJKSA-N 0 0 344.386 2.024 40 0 EEABRN CC(C)CCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224269172 464150020 /nfs/dbraw/zinc/15/00/20/464150020.db2.gz MPNAZVLTBUZEFX-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN COc1cccc(C(=O)Nc2cnc(N3CCCC3)nc2)c1OC ZINC000224246479 464150166 /nfs/dbraw/zinc/15/01/66/464150166.db2.gz MLILBOIOWAAWKT-UHFFFAOYSA-N 0 0 328.372 2.346 40 0 EEABRN COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cccs1 ZINC000225123936 464152682 /nfs/dbraw/zinc/15/26/82/464152682.db2.gz XBCFKVULOBIUSR-UHFFFAOYSA-N 0 0 341.410 2.125 40 0 EEABRN O=C([C@H]1OCCc2ccccc21)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225475119 464163581 /nfs/dbraw/zinc/16/35/81/464163581.db2.gz PMMUIIQBRSQJAL-YJBOKZPZSA-N 0 0 339.395 2.160 40 0 EEABRN Cc1cnc(CCN(C)c2cc(N3CCSCC3)ncn2)s1 ZINC000225482802 464165366 /nfs/dbraw/zinc/16/53/66/464165366.db2.gz ZJABWBBQRMCIKE-UHFFFAOYSA-N 0 0 335.502 2.474 40 0 EEABRN Cc1nc(C)n(C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000225484854 464165583 /nfs/dbraw/zinc/16/55/83/464165583.db2.gz ZALQUDRBKLQNEC-GFCCVEGCSA-N 0 0 344.184 2.236 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)cc1 ZINC000188193202 464220339 /nfs/dbraw/zinc/22/03/39/464220339.db2.gz AVJJILDJPXTOSM-INIZCTEOSA-N 0 0 344.415 2.266 40 0 EEABRN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263913684 464236811 /nfs/dbraw/zinc/23/68/11/464236811.db2.gz NCAWZRPYDLVYDL-CHWSQXEVSA-N 0 0 344.381 2.390 40 0 EEABRN CN(C)c1cc(CNC(=O)NCCc2ccc(F)c(F)c2)ccn1 ZINC000188614535 464324978 /nfs/dbraw/zinc/32/49/78/464324978.db2.gz BJCHSRRTIQJVOT-UHFFFAOYSA-N 0 0 334.370 2.468 40 0 EEABRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc[nH]1 ZINC000188977204 464407476 /nfs/dbraw/zinc/40/74/76/464407476.db2.gz DPMVZWFGTUGYIJ-OAHLLOKOSA-N 0 0 333.338 2.214 40 0 EEABRN Cn1cccc1C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000238946851 464440236 /nfs/dbraw/zinc/44/02/36/464440236.db2.gz WMZXWCIXJYXPMZ-UHFFFAOYSA-N 0 0 339.443 2.093 40 0 EEABRN Cc1noc([C@H]2CN(S(=O)(=O)C3CC3)C[C@H]2c2ccccc2)n1 ZINC000240104286 464445009 /nfs/dbraw/zinc/44/50/09/464445009.db2.gz UOONWJMAOSDWLZ-GJZGRUSLSA-N 0 0 333.413 2.053 40 0 EEABRN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000240886260 464449465 /nfs/dbraw/zinc/44/94/65/464449465.db2.gz IOHXIXPZILMUDA-DAOPMYJZSA-N 0 0 331.441 2.170 40 0 EEABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)NC(C)C)CC1 ZINC000244384933 464460522 /nfs/dbraw/zinc/46/05/22/464460522.db2.gz YDHKTUMLIYLBTQ-UHFFFAOYSA-N 0 0 334.416 2.081 40 0 EEABRN C[C@@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@H]1c1cccs1)C1CC1 ZINC000245281312 464469829 /nfs/dbraw/zinc/46/98/29/464469829.db2.gz APHQVWLQIDGXIG-YVEFUNNKSA-N 0 0 347.484 2.011 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@]2(C)CCCC[C@H]2O)C1 ZINC000245339296 464471476 /nfs/dbraw/zinc/47/14/76/464471476.db2.gz RUPZVZKITUDNRY-KHYOSLBOSA-N 0 0 338.492 2.329 40 0 EEABRN CN(CCn1cccn1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189963145 464572701 /nfs/dbraw/zinc/57/27/01/464572701.db2.gz AGMJQLJVYXQYAL-UHFFFAOYSA-N 0 0 347.362 2.309 40 0 EEABRN COc1ccccc1N1CC[C@@H](CNC(=O)N(C)C[C@H]2CCOC2)C1 ZINC000176066018 464692175 /nfs/dbraw/zinc/69/21/75/464692175.db2.gz UKPJGEUXTWVISF-JKSUJKDBSA-N 0 0 347.459 2.199 40 0 EEABRN O=C(COC1CCCC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000247724306 464703408 /nfs/dbraw/zinc/70/34/08/464703408.db2.gz BQNWWYIGRUZXHI-HNNXBMFYSA-N 0 0 346.427 2.037 40 0 EEABRN COc1cc(Br)ccc1CNC(=O)NC[C@H](C)OC ZINC000190853345 464734007 /nfs/dbraw/zinc/73/40/07/464734007.db2.gz KXWKILKEEJURSO-VIFPVBQESA-N 0 0 331.210 2.292 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)OCC[C@H]2COc1ncccc1F ZINC000247887485 464711802 /nfs/dbraw/zinc/71/18/02/464711802.db2.gz XPEWTKQUIGBTLJ-ZDUSSCGKSA-N 0 0 346.358 2.053 40 0 EEABRN COc1ccccc1CN1CCn2cc(C(=O)N(C)C)nc2[C@H]1C ZINC000248042124 464726101 /nfs/dbraw/zinc/72/61/01/464726101.db2.gz VTIQJBAFDXDUGO-CYBMUJFWSA-N 0 0 328.416 2.170 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 ZINC000248098939 464728956 /nfs/dbraw/zinc/72/89/56/464728956.db2.gz DIRCSWVZBYABFU-HNNXBMFYSA-N 0 0 340.427 2.153 40 0 EEABRN COc1ccc(C(=O)N2CC3(C2)C[C@H](OCC2CC2)CCO3)cc1 ZINC000248145255 464733991 /nfs/dbraw/zinc/73/39/91/464733991.db2.gz SHIFOVWHWRSJHK-QGZVFWFLSA-N 0 0 331.412 2.495 40 0 EEABRN CCOCC(=O)N1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000248289877 464740911 /nfs/dbraw/zinc/74/09/11/464740911.db2.gz KERJYYGNVZVUFS-KRWDZBQOSA-N 0 0 329.400 2.020 40 0 EEABRN C[C@@H]1CN(C)c2ccccc2CN1Cc1nnnn1CC(F)(F)F ZINC000190930170 464747313 /nfs/dbraw/zinc/74/73/13/464747313.db2.gz BEMYORZSYFWAIO-LLVKDONJSA-N 0 0 340.353 2.076 40 0 EEABRN COc1cccc(CCNC(=O)NC[C@H]2CSCCS2)c1 ZINC000176387492 464762651 /nfs/dbraw/zinc/76/26/51/464762651.db2.gz AWQAWYXAWMMVFT-AWEZNQCLSA-N 0 0 326.487 2.386 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCO1 ZINC000182945553 464762925 /nfs/dbraw/zinc/76/29/25/464762925.db2.gz BMTZBOVMESBLSI-OLZOCXBDSA-N 0 0 343.210 2.394 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@H]1C[C@H](C)O)c1ccc(F)c(F)c1 ZINC000248711099 464789948 /nfs/dbraw/zinc/78/99/48/464789948.db2.gz JGUXDNQBTLEQEI-DMDPSCGWSA-N 0 0 328.359 2.207 40 0 EEABRN Brc1cccnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000252480261 464960297 /nfs/dbraw/zinc/96/02/97/464960297.db2.gz BZCVYYIXYQGITQ-GFCCVEGCSA-N 0 0 326.238 2.003 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN(c3ccncc3Cl)CC2)n1 ZINC000192707143 464981371 /nfs/dbraw/zinc/98/13/71/464981371.db2.gz SZYBJJBJPYGUHZ-LBPRGKRZSA-N 0 0 333.823 2.422 40 0 EEABRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(=O)c(OC)co1 ZINC000253395274 464998630 /nfs/dbraw/zinc/99/86/30/464998630.db2.gz IJLKITYSZLQTBW-LBPRGKRZSA-N 0 0 331.372 2.232 40 0 EEABRN O=C(Cn1cnccc1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000253421003 465009059 /nfs/dbraw/zinc/00/90/59/465009059.db2.gz OHWLTFNOXQYUFQ-IBGZPJMESA-N 0 0 345.402 2.418 40 0 EEABRN CCc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCSC3)C2)ncn1 ZINC000253430731 465013304 /nfs/dbraw/zinc/01/33/04/465013304.db2.gz XOOHRKYPEVVVRX-DZGCQCFKSA-N 0 0 349.504 2.060 40 0 EEABRN Cc1ccnc(OCC[C@H]2CO[C@H]3CN(C(=O)C4=CCCC4)C[C@@H]23)n1 ZINC000306128928 466488560 /nfs/dbraw/zinc/48/85/60/466488560.db2.gz HOOGUIZOVZRUTB-ULQDDVLXSA-N 0 0 343.427 2.138 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1)C1(F)CC1 ZINC000306139291 466493659 /nfs/dbraw/zinc/49/36/59/466493659.db2.gz SUBZQTZDPDPCMQ-AWEZNQCLSA-N 0 0 334.391 2.108 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)cc2)C1=O ZINC000408548595 466680993 /nfs/dbraw/zinc/68/09/93/466680993.db2.gz JIQSQHAIFCVQLJ-LFIBNONCSA-N 0 0 336.347 2.419 40 0 EEABRN COc1ccccc1C1(C(=O)N[C@@H](Cn2ccnn2)C(C)C)CC1 ZINC000575609336 468147458 /nfs/dbraw/zinc/14/74/58/468147458.db2.gz WDSDACOAOXZISE-HNNXBMFYSA-N 0 0 328.416 2.159 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)CC1Cc2ccccc2C1 ZINC000585094835 468963450 /nfs/dbraw/zinc/96/34/50/468963450.db2.gz OYNPIECXMMNLSC-KRWDZBQOSA-N 0 0 339.439 2.125 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3CC[C@H]2COc2ncccn2)o1 ZINC000585098140 468967021 /nfs/dbraw/zinc/96/70/21/468967021.db2.gz UTQLHHZPLCCFHP-INIZCTEOSA-N 0 0 339.399 2.428 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@]3(CCN3Cc3c(C)noc3C)C2)no1 ZINC000585101915 468968761 /nfs/dbraw/zinc/96/87/61/468968761.db2.gz LKBAUPGBTPNRIE-GOSISDBHSA-N 0 0 344.415 2.469 40 0 EEABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccco1)C2)N1CCCC1 ZINC000585103048 468970675 /nfs/dbraw/zinc/97/06/75/468970675.db2.gz OMVAKXJNHQYBHN-OAHLLOKOSA-N 0 0 333.432 2.066 40 0 EEABRN Cc1ccccc1C(=O)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 ZINC000585108911 468973530 /nfs/dbraw/zinc/97/35/30/468973530.db2.gz CWTDBRFJPHVWSM-CGTJXYLNSA-N 0 0 342.439 2.237 40 0 EEABRN Cc1noc(C2(NC(=O)c3cccc4c3O[C@@H](C)C4)CCOCC2)n1 ZINC000585140144 468989143 /nfs/dbraw/zinc/98/91/43/468989143.db2.gz HIAHHOAZSTZCRS-NSHDSACASA-N 0 0 343.383 2.137 40 0 EEABRN Cc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cn1 ZINC000585269358 468996789 /nfs/dbraw/zinc/99/67/89/468996789.db2.gz QIHWOIOHYPQEDO-LJQANCHMSA-N 0 0 346.402 2.171 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276276 469000725 /nfs/dbraw/zinc/00/07/25/469000725.db2.gz HRFSNYXBZCUTME-LJQANCHMSA-N 0 0 343.427 2.429 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3nccnc3C)[C@H]2O)cc1 ZINC000585286145 469009990 /nfs/dbraw/zinc/00/99/90/469009990.db2.gz UZRWXSDQCCODRO-QGPMSJSTSA-N 0 0 341.411 2.042 40 0 EEABRN CC(C)(C)n1nnc(CNC(=O)N[C@@H]2CCCc3c(F)cccc32)n1 ZINC000654576661 471079650 /nfs/dbraw/zinc/07/96/50/471079650.db2.gz QOSPQWQZHQMTDV-CQSZACIVSA-N 0 0 346.410 2.444 40 0 EEABRN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000243216227 485536086 /nfs/dbraw/zinc/53/60/86/485536086.db2.gz KHZHZOZUDDTNKS-CYBMUJFWSA-N 0 0 348.443 2.471 40 0 EEABRN O=C(c1cccs1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048396 501077429 /nfs/dbraw/zinc/07/74/29/501077429.db2.gz QNNXDEIWVMJGOL-GUYCJALGSA-N 0 0 344.440 2.414 40 0 EEABRN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000190035473 534252026 /nfs/dbraw/zinc/25/20/26/534252026.db2.gz UWMRCBZLDMXZDA-BDAKNGLRSA-N 0 0 348.296 2.419 40 0 EEABRN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CSC2CCCC2)C1 ZINC000096120120 518902897 /nfs/dbraw/zinc/90/28/97/518902897.db2.gz FAHZMNIVTZTYCM-ZDUSSCGKSA-N 0 0 333.519 2.476 40 0 EEABRN Cc1noc([C@@H]2COCCN2Cc2cn(-c3ccccc3)nc2C)n1 ZINC000188475175 534468861 /nfs/dbraw/zinc/46/88/61/534468861.db2.gz MZYCRLAFEGOWDT-KRWDZBQOSA-N 0 0 339.399 2.446 40 0 EEABRN Cc1cccc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)c1C ZINC000245131266 524585473 /nfs/dbraw/zinc/58/54/73/524585473.db2.gz VLOUKVYTCFVKEP-UHFFFAOYSA-N 0 0 348.410 2.354 40 0 EEABRN CCNC(=O)N1CC[C@@H](NC(=O)NCCc2cc3ccccc3o2)C1 ZINC000096473683 528136488 /nfs/dbraw/zinc/13/64/88/528136488.db2.gz ZZDUUGFKDMSAHC-CQSZACIVSA-N 0 0 344.415 2.078 40 0 EEABRN CCCCc1nc(CN2CCO[C@@H](c3nccnc3NC)C2)c[nH]1 ZINC000257203003 535102506 /nfs/dbraw/zinc/10/25/06/535102506.db2.gz AOFSVKXKHPVETL-CQSZACIVSA-N 0 0 330.436 2.158 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)no1 ZINC000257226186 536108111 /nfs/dbraw/zinc/10/81/11/536108111.db2.gz FJMPARFMQWDJEO-KRWDZBQOSA-N 0 0 327.384 2.283 40 0 EEABRN COC(=O)c1ccc(C(=O)[C@@H](O)c2ccc(C(=O)OC)cc2)cc1 ZINC000034227446 1188610226 /nfs/dbraw/zinc/61/02/26/1188610226.db2.gz XFRIKHRKYHJNTP-HNNXBMFYSA-N 0 0 328.320 2.176 40 0 EEABRN CCCN1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)OCO3)CC1 ZINC000028227984 1351802739 /nfs/dbraw/zinc/80/27/39/1351802739.db2.gz KPUVBPVBPBBDFX-OAHLLOKOSA-N 0 0 334.416 2.127 40 0 EEABRN Cc1ccccc1OCn1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000027972228 1352373634 /nfs/dbraw/zinc/37/36/34/1352373634.db2.gz UIOUXQNAMOOWAJ-HUUCEWRRSA-N 0 0 329.400 2.477 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2n1 ZINC000028223409 1352374232 /nfs/dbraw/zinc/37/42/32/1352374232.db2.gz VJTCNFBKEBQHCV-CYBMUJFWSA-N 0 0 347.440 2.153 40 0 EEABRN O=C(NC1(CO)COC(c2ccccc2)OC1)OCc1ccccc1 ZINC000503986164 1410204376 /nfs/dbraw/zinc/20/43/76/1410204376.db2.gz BJIJWQHJUZSDEZ-UHFFFAOYSA-N 0 0 343.379 2.390 40 0 EEABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000052410658 214127449 /nfs/dbraw/zinc/12/74/49/214127449.db2.gz UTNZWMAAWISMQF-UHFFFAOYSA-N 0 0 325.434 2.345 40 0 EEABRN COc1cc(CNC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1 ZINC000056330171 214370571 /nfs/dbraw/zinc/37/05/71/214370571.db2.gz NNKFZQPZGDDXGJ-UHFFFAOYSA-N 0 0 344.367 2.432 40 0 EEABRN Cc1ccc([S@](C)(=O)=NC(=O)c2ccc3c(c2)no[n+]3[O-])cc1 ZINC000100016420 219088463 /nfs/dbraw/zinc/08/84/63/219088463.db2.gz HLOXTLIHZCLGRU-QHCPKHFHSA-N 0 0 331.353 2.067 40 0 EEABRN CNC(=O)COc1ccc(NC(=O)NC2Cc3ccccc3C2)cc1 ZINC000184205215 529865351 /nfs/dbraw/zinc/86/53/51/529865351.db2.gz ZQSAQHNAROFVGV-UHFFFAOYSA-N 0 0 339.395 2.100 40 0 EEABRN COCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21 ZINC000004093063 210118716 /nfs/dbraw/zinc/11/87/16/210118716.db2.gz RDDFUOOXPVHIRT-UHFFFAOYSA-N 0 0 346.412 2.079 40 0 EEABRN CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068878099 215342383 /nfs/dbraw/zinc/34/23/83/215342383.db2.gz ANCAIYMYTNAVSC-UHFFFAOYSA-N 0 0 338.429 2.161 40 0 EEABRN CCCCn1c2nc(CNc3ccccc3)n(CC)c2c(=O)[nH]c1=O ZINC000040466010 213308635 /nfs/dbraw/zinc/30/86/35/213308635.db2.gz SNNVOKPVANFSJY-UHFFFAOYSA-N 0 0 341.415 2.318 40 0 EEABRN Cn1cnn(CC(=O)N2CCCc3cc(-c4ccccc4)ccc32)c1=O ZINC000182413573 234598357 /nfs/dbraw/zinc/59/83/57/234598357.db2.gz YKTKDYQFCVCSHE-UHFFFAOYSA-N 0 0 348.406 2.228 40 0 EEABRN O=C(N[C@@H]1CCC(=O)NC1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000096448329 303830160 /nfs/dbraw/zinc/83/01/60/303830160.db2.gz QNQTUERNNDCUSC-TVKQPGBESA-N 0 0 326.440 2.430 40 0 EEABRN COC[C@@H](C)NC(=O)COc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000039561866 213240998 /nfs/dbraw/zinc/24/09/98/213240998.db2.gz MJBFZIIVGCOOOY-GHMZBOCLSA-N 0 0 349.456 2.346 40 0 EEABRN COCCNC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000039552026 213238981 /nfs/dbraw/zinc/23/89/81/213238981.db2.gz ZWDRYZUGWHYVDI-UHFFFAOYSA-N 0 0 330.413 2.226 40 0 EEABRN COC(=O)[C@@H](C)Sc1nc(NCc2ccccc2)nc(N(C)C)n1 ZINC000000804838 209688323 /nfs/dbraw/zinc/68/83/23/209688323.db2.gz IPQFHZRESZWCSB-LLVKDONJSA-N 0 0 347.444 2.203 40 0 EEABRN Cn1cc(C(=O)N2CCCC2)cc(NC(=O)C2CCCCC2)c1=O ZINC000038486382 213210368 /nfs/dbraw/zinc/21/03/68/213210368.db2.gz QQSTXFMXGZZCJU-UHFFFAOYSA-N 0 0 331.416 2.140 40 0 EEABRN COc1cc(OC)cc(-n2nnnc2SCc2cccnc2)c1 ZINC000035316002 213020739 /nfs/dbraw/zinc/02/07/39/213020739.db2.gz SIADBUBRVAQITA-UHFFFAOYSA-N 0 0 329.385 2.367 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(C(C)(C)C)o1 ZINC000096461330 237062062 /nfs/dbraw/zinc/06/20/62/237062062.db2.gz NWHQYPHOUCYLED-UHFFFAOYSA-N 0 0 327.406 2.398 40 0 EEABRN CCn1nc(C)c2nc(C(C)C)nc(NCCN3CCOCC3)c21 ZINC000072238339 216077307 /nfs/dbraw/zinc/07/73/07/216077307.db2.gz DQBJIXTZPXWBML-UHFFFAOYSA-N 0 0 332.452 2.022 40 0 EEABRN CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)c1cccc(OC)c1 ZINC000072325078 216150926 /nfs/dbraw/zinc/15/09/26/216150926.db2.gz YGQLYEGYUGKWIH-CYBMUJFWSA-N 0 0 341.367 2.207 40 0 EEABRN CCC(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000072363600 216170137 /nfs/dbraw/zinc/17/01/37/216170137.db2.gz PYNWGLFOQSVRRA-UHFFFAOYSA-N 0 0 326.404 2.201 40 0 EEABRN Cc1nccc(N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)n1 ZINC000072369068 216176160 /nfs/dbraw/zinc/17/61/60/216176160.db2.gz HOTXSNCDTRSKIV-HNNXBMFYSA-N 0 0 334.383 2.272 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000072378593 216180739 /nfs/dbraw/zinc/18/07/39/216180739.db2.gz LVGVGEBDWSMHHK-KRWDZBQOSA-N 0 0 349.394 2.405 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000072382600 216183372 /nfs/dbraw/zinc/18/33/72/216183372.db2.gz GXNDZVZSCIYUIN-CYBMUJFWSA-N 0 0 336.403 2.031 40 0 EEABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3CC(N)=O)n2)cc1 ZINC000072383591 216183508 /nfs/dbraw/zinc/18/35/08/216183508.db2.gz DEWBRFSJXTYWQR-HNNXBMFYSA-N 0 0 342.399 2.208 40 0 EEABRN COc1ccc(Oc2cc(C)nc([C@H]3CCCN3CC(N)=O)n2)cc1 ZINC000072383592 216184599 /nfs/dbraw/zinc/18/45/99/216184599.db2.gz DEWBRFSJXTYWQR-OAHLLOKOSA-N 0 0 342.399 2.208 40 0 EEABRN CCOC(=O)CC(=O)CN1C(=O)SC(=Cc2ccccc2)C1=O ZINC000028294991 212613938 /nfs/dbraw/zinc/61/39/38/212613938.db2.gz LIGADNVZZLPSLT-JYRVWZFOSA-N 0 0 333.365 2.245 40 0 EEABRN O=C1NCCN1[C@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581731 216278933 /nfs/dbraw/zinc/27/89/33/216278933.db2.gz JUSULYHMDDLEHA-LBPRGKRZSA-N 0 0 349.385 2.421 40 0 EEABRN COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 ZINC000022496057 212300723 /nfs/dbraw/zinc/30/07/23/212300723.db2.gz UMCIFHZSKJYLCX-UHFFFAOYSA-N 0 0 325.361 2.192 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000194081992 240429247 /nfs/dbraw/zinc/42/92/47/240429247.db2.gz KXMNKMJVNPSBJQ-DVOMOZLQSA-N 0 0 338.473 2.096 40 0 EEABRN CCS(=O)(=O)c1ccccc1NCc1nnc2n1CCCCC2 ZINC000195576063 241022927 /nfs/dbraw/zinc/02/29/27/241022927.db2.gz BGWKTKDGEIIMQA-UHFFFAOYSA-N 0 0 334.445 2.410 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2OC)c1 ZINC000223863494 241699885 /nfs/dbraw/zinc/69/98/85/241699885.db2.gz SZWWPDFKZLJDFG-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN COc1cc(OC)cc(OCC(=O)NCCOc2ccccc2)c1 ZINC000224254050 241741438 /nfs/dbraw/zinc/74/14/38/241741438.db2.gz NKARDQAISKMFGU-UHFFFAOYSA-N 0 0 331.368 2.278 40 0 EEABRN Cc1ccc(O[C@H]2CCCN(C(=O)COCc3ccccc3)C2)nn1 ZINC000225464509 241878239 /nfs/dbraw/zinc/87/82/39/241878239.db2.gz JDZOKSSUNQLUOP-KRWDZBQOSA-N 0 0 341.411 2.372 40 0 EEABRN CCCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000225932493 242079817 /nfs/dbraw/zinc/07/98/17/242079817.db2.gz SCHXZOTYJIKISV-UHFFFAOYSA-N 0 0 326.462 2.230 40 0 EEABRN CCOC(=O)c1cc(C(C)=O)nn(-c2cccc(SC)c2)c1=O ZINC000225967734 242081651 /nfs/dbraw/zinc/08/16/51/242081651.db2.gz FHSYYVJPKDVFKJ-UHFFFAOYSA-N 0 0 332.381 2.334 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)n(C)n1 ZINC000230112587 242233505 /nfs/dbraw/zinc/23/35/05/242233505.db2.gz HOSBSWGVURECIY-HOCLYGCPSA-N 0 0 328.416 2.129 40 0 EEABRN Cc1cccc(C(=O)NC2(CO)CCOCC2)c1Br ZINC000230907767 242265344 /nfs/dbraw/zinc/26/53/44/242265344.db2.gz XYOLUBAUXGVECA-UHFFFAOYSA-N 0 0 328.206 2.029 40 0 EEABRN COc1ccc2[nH]c(S[C@@H]3CCN(C4CCOCC4)C3=O)nc2c1 ZINC000242339042 243018001 /nfs/dbraw/zinc/01/80/01/243018001.db2.gz ZEKRGLYLTPSFSI-OAHLLOKOSA-N 0 0 347.440 2.444 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)c1cccc(F)c1F ZINC000248710085 243610251 /nfs/dbraw/zinc/61/02/51/243610251.db2.gz IXGVRSQGXLCIAF-TUAOUCFPSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(NCCc1cnc(C2CC2)nc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000253430667 243983491 /nfs/dbraw/zinc/98/34/91/243983491.db2.gz XMMHCNCOWBAYIV-KRWDZBQOSA-N 0 0 344.459 2.497 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)CC2)n1 ZINC000253535819 244008419 /nfs/dbraw/zinc/00/84/19/244008419.db2.gz FYHDPNBCGREIIQ-SHTZXODSSA-N 0 0 342.399 2.314 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2ccccn2)C3)nc1 ZINC000253600775 244034142 /nfs/dbraw/zinc/03/41/42/244034142.db2.gz YMUPSYKLCGLQLP-MRXNPFEDSA-N 0 0 339.443 2.273 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257221140 244185575 /nfs/dbraw/zinc/18/55/75/244185575.db2.gz DNQSGYDPFFBJCI-HNNXBMFYSA-N 0 0 347.382 2.139 40 0 EEABRN CCCn1nccc1-c1cc([C@@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257222331 244188830 /nfs/dbraw/zinc/18/88/30/244188830.db2.gz DSWLBAXISNOYKD-OAHLLOKOSA-N 0 0 348.472 2.494 40 0 EEABRN Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cn1 ZINC000257227455 244203999 /nfs/dbraw/zinc/20/39/99/244203999.db2.gz FPJYOLQMRXOILN-MRXNPFEDSA-N 0 0 325.412 2.184 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)CCn2ccc(C)n2)CCN1C ZINC000257229249 244208052 /nfs/dbraw/zinc/20/80/52/244208052.db2.gz FXIWSAIQKMWLJP-QGZVFWFLSA-N 0 0 342.443 2.106 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257231552 244212652 /nfs/dbraw/zinc/21/26/52/244212652.db2.gz GHGAEXQDVIFJPE-KRWDZBQOSA-N 0 0 339.395 2.104 40 0 EEABRN O=C(c1cc[nH]n1)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257219832 244181850 /nfs/dbraw/zinc/18/18/50/244181850.db2.gz DIIQVTFTMXWZRK-IKGGRYGDSA-N 0 0 338.411 2.424 40 0 EEABRN Cc1cccc(N2CCC[C@@H](NC(=O)Cn3cc(Cl)cn3)C2)n1 ZINC000257237346 244233594 /nfs/dbraw/zinc/23/35/94/244233594.db2.gz HGBJVWOLQKKQBQ-CQSZACIVSA-N 0 0 333.823 2.025 40 0 EEABRN CC1(C(N)=O)CCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC000257260216 244294095 /nfs/dbraw/zinc/29/40/95/244294095.db2.gz LBVRKIVFEANCQM-UHFFFAOYSA-N 0 0 344.455 2.140 40 0 EEABRN CCn1nccc1-c1cc([C@@H]2CCCN(C(=O)COC)C2)nc(C)n1 ZINC000257255437 244282847 /nfs/dbraw/zinc/28/28/47/244282847.db2.gz KHLYWTKNWGBBIU-CQSZACIVSA-N 0 0 343.431 2.021 40 0 EEABRN O=C(CCc1cccnc1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257266594 244363957 /nfs/dbraw/zinc/36/39/57/244363957.db2.gz MDQUOJXKVJPOQB-HNNXBMFYSA-N 0 0 326.400 2.015 40 0 EEABRN Cc1ncsc1C(=O)N1CCOC[C@H](Cc2nc(C)cc(C)n2)C1 ZINC000257268610 244370261 /nfs/dbraw/zinc/37/02/61/244370261.db2.gz MMKOACUIHXGDKA-CQSZACIVSA-N 0 0 346.456 2.190 40 0 EEABRN O=C(c1cnccn1)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257260492 244346710 /nfs/dbraw/zinc/34/67/10/244346710.db2.gz LDDAZHKYASIJTE-HNNXBMFYSA-N 0 0 336.395 2.289 40 0 EEABRN Cc1noc2nc(C)cc(C(=O)N3CCO[C@H](c4ccncc4)C3)c12 ZINC000257307237 244481241 /nfs/dbraw/zinc/48/12/41/244481241.db2.gz SXUQGWOMYXSYOP-HNNXBMFYSA-N 0 0 338.367 2.448 40 0 EEABRN Cc1cc(C[C@H]2COCCN(C(=O)Cc3cccc(F)c3)C2)ncn1 ZINC000257299234 244459174 /nfs/dbraw/zinc/45/91/74/244459174.db2.gz RPERREFKZFFGBY-MRXNPFEDSA-N 0 0 343.402 2.184 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 ZINC000257318808 244513777 /nfs/dbraw/zinc/51/37/77/244513777.db2.gz VPLWKDNOAAGAPV-OAHLLOKOSA-N 0 0 337.427 2.484 40 0 EEABRN CC(=O)N1CCCC[C@@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 ZINC000019765699 212063139 /nfs/dbraw/zinc/06/31/39/212063139.db2.gz WAJLICHBGDOJBF-MRXNPFEDSA-N 0 0 330.432 2.485 40 0 EEABRN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1 ZINC000019532929 212039997 /nfs/dbraw/zinc/03/99/97/212039997.db2.gz TUHPCTXUGJFEON-MRXNPFEDSA-N 0 0 341.411 2.383 40 0 EEABRN O=C(N[C@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1)c1ccco1 ZINC000096196590 284224759 /nfs/dbraw/zinc/22/47/59/284224759.db2.gz NLXUYFUFFKCNTM-INIZCTEOSA-N 0 0 349.390 2.172 40 0 EEABRN CC(C)Cn1nccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000078073287 217019075 /nfs/dbraw/zinc/01/90/75/217019075.db2.gz YODYUTGPCCUUIX-KRWDZBQOSA-N 0 0 342.443 2.379 40 0 EEABRN CCc1cc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n(C)n1 ZINC000078115533 217023771 /nfs/dbraw/zinc/02/37/71/217023771.db2.gz DGHGTGSWMOACQX-AWEZNQCLSA-N 0 0 349.479 2.389 40 0 EEABRN CN(C)c1cc(CCNC(=O)C(C)(C)C)nc(-c2ccccn2)n1 ZINC000019082157 212000027 /nfs/dbraw/zinc/00/00/27/212000027.db2.gz HZZKUCRWFILGOO-UHFFFAOYSA-N 0 0 327.432 2.309 40 0 EEABRN Cc1nnc2ccc(N[C@@H](C)c3ccc(S(C)(=O)=O)c(F)c3)nn12 ZINC000078452200 217054319 /nfs/dbraw/zinc/05/43/19/217054319.db2.gz HNQLPECYWSJMPZ-VIFPVBQESA-N 0 0 349.391 2.148 40 0 EEABRN NC(=O)c1ccnc(NCc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000078393944 217046939 /nfs/dbraw/zinc/04/69/39/217046939.db2.gz BBIKTNVFAGQBOT-UHFFFAOYSA-N 0 0 338.411 2.419 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)NCc3nncn3C3CC3)cc2)n1 ZINC000078603835 217084581 /nfs/dbraw/zinc/08/45/81/217084581.db2.gz ULSOODNDRXWSLZ-UHFFFAOYSA-N 0 0 336.399 2.346 40 0 EEABRN Cc1noc(C)c1Cc1nc(CC(=O)NCc2ccccc2)no1 ZINC000078773484 217117036 /nfs/dbraw/zinc/11/70/36/217117036.db2.gz QSBCQNGEBMCKSY-UHFFFAOYSA-N 0 0 326.356 2.124 40 0 EEABRN CN(C)c1cc(C(=O)NCCc2nc3c(cccc3F)n2C)ccn1 ZINC000078913178 217145789 /nfs/dbraw/zinc/14/57/89/217145789.db2.gz NTEFXHFWJGVWEU-UHFFFAOYSA-N 0 0 341.390 2.146 40 0 EEABRN Cn1cc(S(=O)(=O)NCCSc2ccccc2Cl)cn1 ZINC000078928556 217150820 /nfs/dbraw/zinc/15/08/20/217150820.db2.gz KQRUCKUSXNTQDQ-UHFFFAOYSA-N 0 0 331.850 2.144 40 0 EEABRN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000016691742 211929583 /nfs/dbraw/zinc/92/95/83/211929583.db2.gz BLIKUHQDPALYSX-UHFFFAOYSA-N 0 0 348.424 2.345 40 0 EEABRN CO[C@H](C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000078997659 217169693 /nfs/dbraw/zinc/16/96/93/217169693.db2.gz MVEXNLKWGZFXPD-WBVHZDCISA-N 0 0 342.370 2.435 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000078999111 217170114 /nfs/dbraw/zinc/17/01/14/217170114.db2.gz GEGPQXJQGNJOJR-IAGOWNOFSA-N 0 0 346.475 2.127 40 0 EEABRN Cc1cc([C@H](NC(=O)N2CCO[C@@H](CO)C2)C(C)C)c(C)s1 ZINC000078963962 217158523 /nfs/dbraw/zinc/15/85/23/217158523.db2.gz RIVXMOXQWKATFB-UKRRQHHQSA-N 0 0 326.462 2.465 40 0 EEABRN Cc1cc(C(=O)NCCC(=O)Nc2ccncc2)nn1C(C)(C)C ZINC000078979481 217162368 /nfs/dbraw/zinc/16/23/68/217162368.db2.gz HJYGMZFRXZCWAF-UHFFFAOYSA-N 0 0 329.404 2.100 40 0 EEABRN Cc1ccc(NC(=O)CCn2cc(Br)ccc2=O)nc1 ZINC000079043519 217180321 /nfs/dbraw/zinc/18/03/21/217180321.db2.gz DYDDJSZLNZORBC-UHFFFAOYSA-N 0 0 336.189 2.343 40 0 EEABRN Cc1cc(CNC(=O)CCNC(=O)OCC(F)(F)F)ccc1F ZINC000079068257 217186668 /nfs/dbraw/zinc/18/66/68/217186668.db2.gz MLXTXJJSJWYKBL-UHFFFAOYSA-N 0 0 336.285 2.429 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCCN1Cc1noc(-c2ccoc2)n1 ZINC000079311673 217207746 /nfs/dbraw/zinc/20/77/46/217207746.db2.gz MVTAHVYMVNUNLL-NSHDSACASA-N 0 0 345.384 2.389 40 0 EEABRN CCN1CCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000079333116 217210189 /nfs/dbraw/zinc/21/01/89/217210189.db2.gz TZURSXLHSJCRNK-UHFFFAOYSA-N 0 0 327.222 2.235 40 0 EEABRN CCc1ncc(CN(C)S(=O)(=O)c2c[nH]c3ncccc23)s1 ZINC000079354786 217213815 /nfs/dbraw/zinc/21/38/15/217213815.db2.gz PFIDOEOAWQYYNF-UHFFFAOYSA-N 0 0 336.442 2.403 40 0 EEABRN C[C@H](CSC(F)(F)F)C(=O)NCc1cccnc1-n1cncn1 ZINC000079558135 217240637 /nfs/dbraw/zinc/24/06/37/217240637.db2.gz ANVKDHFDLSKWRN-SECBINFHSA-N 0 0 345.350 2.168 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)Cn2ccc(C(F)(F)F)n2)c(C)o1 ZINC000080898815 217338788 /nfs/dbraw/zinc/33/87/88/217338788.db2.gz DYQMIDNLJWGGLG-AWEZNQCLSA-N 0 0 345.321 2.136 40 0 EEABRN C[C@H]1CCc2ccccc2N1CCC(=O)NCc1nnc2n1CCC2 ZINC000081238252 217373839 /nfs/dbraw/zinc/37/38/39/217373839.db2.gz XRIWDOGCSHNZJS-AWEZNQCLSA-N 0 0 339.443 2.072 40 0 EEABRN CNC(=O)C(C)(C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000089333805 217787889 /nfs/dbraw/zinc/78/78/89/217787889.db2.gz LBUYCTUXSRNOEO-GFCCVEGCSA-N 0 0 347.242 2.305 40 0 EEABRN CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000010010064 211140598 /nfs/dbraw/zinc/14/05/98/211140598.db2.gz DTOKQTCYDFSZAT-UHFFFAOYSA-N 0 0 342.486 2.089 40 0 EEABRN Cn1ccnc1C[C@H](NC(=O)NC1(CO)CCCC1)c1ccccc1 ZINC000095416244 218354901 /nfs/dbraw/zinc/35/49/01/218354901.db2.gz STINXGRLSHJHJA-INIZCTEOSA-N 0 0 342.443 2.308 40 0 EEABRN Cc1cc(CN2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)no1 ZINC000096065722 218561005 /nfs/dbraw/zinc/56/10/05/218561005.db2.gz NSZUSVBFCLIYFE-BZSNNMDCSA-N 0 0 329.400 2.327 40 0 EEABRN O=C([C@@H]1CCOC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096069889 218568487 /nfs/dbraw/zinc/56/84/87/218568487.db2.gz LNOGEBRGAJPMNP-FGTMMUONSA-N 0 0 330.428 2.057 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096089915 218586362 /nfs/dbraw/zinc/58/63/62/218586362.db2.gz BAERPHDFFFPRBL-PKOBYXMFSA-N 0 0 339.395 2.319 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3cnccn3)CC[C@H]2OC)cc1 ZINC000096110250 218605687 /nfs/dbraw/zinc/60/56/87/218605687.db2.gz OCHMGMIHCBTTAS-MAUKXSAKSA-N 0 0 341.411 2.205 40 0 EEABRN COCCN(C)C(=O)c1ccc2nnc3ncn(CC(C)C)c3c2c1 ZINC000096146638 218624997 /nfs/dbraw/zinc/62/49/97/218624997.db2.gz WMMHWEJOXHOAFP-UHFFFAOYSA-N 0 0 341.415 2.354 40 0 EEABRN CCn1ccc(NC(=O)[C@]2(C)CC(c3ccc(OC)cc3)=NO2)n1 ZINC000096192753 218661744 /nfs/dbraw/zinc/66/17/44/218661744.db2.gz NMTYJKWSECAPHK-KRWDZBQOSA-N 0 0 328.372 2.433 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096222862 218697825 /nfs/dbraw/zinc/69/78/25/218697825.db2.gz OQAOSXNQENLYQM-QFBILLFUSA-N 0 0 340.427 2.296 40 0 EEABRN Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]23)n1 ZINC000096216393 218689666 /nfs/dbraw/zinc/68/96/66/218689666.db2.gz BTRCLABKVJLXIT-ZNSQAGSRSA-N 0 0 345.424 2.169 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227458 218704537 /nfs/dbraw/zinc/70/45/37/218704537.db2.gz OROHAYKQVMGVRL-FXAWDEMLSA-N 0 0 341.455 2.469 40 0 EEABRN O=C(NC1CC1)C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000096406284 218757485 /nfs/dbraw/zinc/75/74/85/218757485.db2.gz URIRNBLHMYTAMA-UHFFFAOYSA-N 0 0 330.403 2.375 40 0 EEABRN CC(C)(C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1F ZINC000096414072 218771439 /nfs/dbraw/zinc/77/14/39/218771439.db2.gz VUIOHKZCOJBXKB-JTQLQIEISA-N 0 0 346.324 2.383 40 0 EEABRN C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000096454234 218837862 /nfs/dbraw/zinc/83/78/62/218837862.db2.gz SNILDWRAENTVDO-QAAVPBIRSA-N 0 0 326.371 2.442 40 0 EEABRN Cc1ccc(N2CCC[C@@H]2COC(=O)c2cccc3c[nH]nc32)nn1 ZINC000096483312 218859298 /nfs/dbraw/zinc/85/92/98/218859298.db2.gz QIJFUVNQNWIXDI-CQSZACIVSA-N 0 0 337.383 2.487 40 0 EEABRN CN(C[C@H](O)C(F)(F)F)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000096491343 218868526 /nfs/dbraw/zinc/86/85/26/218868526.db2.gz UKCDXUWZKIIKHQ-ZDUSSCGKSA-N 0 0 342.321 2.318 40 0 EEABRN C[C@H](Cc1ccccc1F)NC(=O)N1CCC(c2nncn2C)CC1 ZINC000097215665 218997837 /nfs/dbraw/zinc/99/78/37/218997837.db2.gz ZBGDYUSWQRSWMG-CYBMUJFWSA-N 0 0 345.422 2.474 40 0 EEABRN CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1 ZINC000004849871 210298986 /nfs/dbraw/zinc/29/89/86/210298986.db2.gz VAKVANAXYQTCLN-HNNXBMFYSA-N 0 0 334.468 2.073 40 0 EEABRN COCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C ZINC000004879412 210309858 /nfs/dbraw/zinc/30/98/58/210309858.db2.gz SJJOMEUYAQPDMU-UHFFFAOYSA-N 0 0 338.433 2.049 40 0 EEABRN CC(C)(C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014396676 257858372 /nfs/dbraw/zinc/85/83/72/257858372.db2.gz SEBHWJBVWUDKRK-UHFFFAOYSA-N 0 0 330.425 2.287 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000096446342 533323161 /nfs/dbraw/zinc/32/31/61/533323161.db2.gz XXLIULITFQRNEC-GXTWGEPZSA-N 0 0 343.395 2.152 40 0 EEABRN C[C@@H](C(=O)Nc1ncccn1)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000230155278 286786058 /nfs/dbraw/zinc/78/60/58/286786058.db2.gz VBTGETOBEUSQLS-YCPHGPKFSA-N 0 0 326.400 2.266 40 0 EEABRN Cc1ccc2c(c1)CC[C@@H](c1nc([C@H]3CCS(=O)(=O)C3)no1)O2 ZINC000290182660 275187427 /nfs/dbraw/zinc/18/74/27/275187427.db2.gz SMFCAYJBRQCQGD-JSGCOSHPSA-N 0 0 334.397 2.346 40 0 EEABRN CCN1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569800 276216178 /nfs/dbraw/zinc/21/61/78/276216178.db2.gz AULKNMMGDAKYIW-TZMCWYRMSA-N 0 0 337.786 2.163 40 0 EEABRN CCc1cnc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)nc1 ZINC000096261227 276682625 /nfs/dbraw/zinc/68/26/25/276682625.db2.gz LAHRABJVSNAJNQ-MRXNPFEDSA-N 0 0 337.427 2.077 40 0 EEABRN CN1C(=O)C[C@H](Nc2nccn3cnnc23)[C@@H]1c1ccc(Cl)cc1 ZINC000241644446 276879136 /nfs/dbraw/zinc/87/91/36/276879136.db2.gz PQUVLWVLDUIJRU-JSGCOSHPSA-N 0 0 342.790 2.162 40 0 EEABRN CC(=O)[C@H]1[C@@H]2NC(=O)N[C@@]1(C)Oc1ccc(Br)cc12 ZINC000013914428 278237920 /nfs/dbraw/zinc/23/79/20/278237920.db2.gz LXPGLLUARCBQTE-LOWVWBTDSA-N 0 0 325.162 2.117 40 0 EEABRN CC1=CC(=O)N(c2cccc3c2cccc3N2C(=O)C=C(C)C2=O)C1=O ZINC000001695764 278493709 /nfs/dbraw/zinc/49/37/09/278493709.db2.gz YNOTYYAAHAIEIG-UHFFFAOYSA-N 0 0 346.342 2.479 40 0 EEABRN Cn1nccc1S(=O)(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000241644747 279422295 /nfs/dbraw/zinc/42/22/95/279422295.db2.gz PTBCKXHBSSJWJY-UHFFFAOYSA-N 0 0 341.383 2.267 40 0 EEABRN O=C(c1cscn1)N1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096158125 280237266 /nfs/dbraw/zinc/23/72/66/280237266.db2.gz BLAZNTCVIZJVFK-MRXNPFEDSA-N 0 0 347.419 2.205 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C1 ZINC000071553422 288481149 /nfs/dbraw/zinc/48/11/49/288481149.db2.gz JOYNBELPJFEDIL-UTUOFQBUSA-N 0 0 338.429 2.073 40 0 EEABRN CC(C)c1ccc(CNC(=O)C(=O)NCCc2ccccn2)cc1 ZINC000298113192 294423619 /nfs/dbraw/zinc/42/36/19/294423619.db2.gz QFZCNMDVNQOFDM-UHFFFAOYSA-N 0 0 325.412 2.180 40 0 EEABRN O=C(NCC(F)(F)C(F)F)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000192016384 303748824 /nfs/dbraw/zinc/74/88/24/303748824.db2.gz OBKYSWFBFIGMKM-SECBINFHSA-N 0 0 342.358 2.095 40 0 EEABRN O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000019345536 303831736 /nfs/dbraw/zinc/83/17/36/303831736.db2.gz OCMGQLPUMWHYSZ-RDTXWAMCSA-N 0 0 344.411 2.373 40 0 EEABRN Cc1nsc(C)c1C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000329048176 311643774 /nfs/dbraw/zinc/64/37/74/311643774.db2.gz KBEXEJNVQROHJW-UHFFFAOYSA-N 0 0 336.438 2.190 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H](O)[C@@H]3C)cn2)n1 ZINC000332413370 312003798 /nfs/dbraw/zinc/00/37/98/312003798.db2.gz SMVJHOIFEMUNHW-DZGCQCFKSA-N 0 0 329.404 2.261 40 0 EEABRN Cc1ccc(Cl)cc1C(=O)NCCC(=O)NCc1ccccn1 ZINC000097097844 323320444 /nfs/dbraw/zinc/32/04/44/323320444.db2.gz MWGYUYDFSIZAJL-UHFFFAOYSA-N 0 0 331.803 2.480 40 0 EEABRN O=C1NC[C@H]2CN(Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230933 323321626 /nfs/dbraw/zinc/32/16/26/323321626.db2.gz KGQMXMRINFBZRG-ZDUSSCGKSA-N 0 0 334.851 2.150 40 0 EEABRN COc1ccc(-c2nnc(NC(=O)N[C@@H]3C[C@@H](O)C3(C)C)s2)cc1 ZINC000189398256 323463393 /nfs/dbraw/zinc/46/33/93/323463393.db2.gz DDZQMOUTNFKMCB-VXGBXAGGSA-N 0 0 348.428 2.495 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000390833140 323545546 /nfs/dbraw/zinc/54/55/46/323545546.db2.gz CSEVDTPIERMPCV-UHFFFAOYSA-N 0 0 346.408 2.226 40 0 EEABRN COCC1(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)CCC1 ZINC000252487740 464965305 /nfs/dbraw/zinc/96/53/05/464965305.db2.gz IBAZQHSLNSXDHF-UHFFFAOYSA-N 0 0 341.411 2.488 40 0 EEABRN O=S(=O)(c1ccccn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000329064462 465222803 /nfs/dbraw/zinc/22/28/03/465222803.db2.gz KNSSVJKUGMLEEX-IXDOHACOSA-N 0 0 344.436 2.275 40 0 EEABRN O=C(CN1CCCCCCC1=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000074098595 462554920 /nfs/dbraw/zinc/55/49/20/462554920.db2.gz KVSYKCPXFUKLBO-KRWDZBQOSA-N 0 0 345.443 2.386 40 0 EEABRN O=C(CSc1nnc(NC(=O)C2CC2)s1)NC1CCCC1 ZINC000001381437 462580379 /nfs/dbraw/zinc/58/03/79/462580379.db2.gz IYVPOBABOUMEKQ-UHFFFAOYSA-N 0 0 326.447 2.038 40 0 EEABRN O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1)C1CC1 ZINC000001377913 462580588 /nfs/dbraw/zinc/58/05/88/462580588.db2.gz LJFULHZCJBXOEF-ALOPSCKCSA-N 0 0 327.428 2.418 40 0 EEABRN CN1CCN(C(=S)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001564405 462583407 /nfs/dbraw/zinc/58/34/07/462583407.db2.gz FAJLKHQUDNTGPB-UHFFFAOYSA-N 0 0 326.465 2.497 40 0 EEABRN C[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(C)C ZINC000087058731 462585909 /nfs/dbraw/zinc/58/59/09/462585909.db2.gz CTVHZSHMGYCBHS-KBPBESRZSA-N 0 0 332.448 2.124 40 0 EEABRN COc1cc(-c2nnc(SCC[NH+](C)C)o2)cc(OC)c1OC ZINC000001872008 462587557 /nfs/dbraw/zinc/58/75/57/462587557.db2.gz PWPSLZCDCNKPLL-UHFFFAOYSA-N 0 0 339.417 2.416 40 0 EEABRN CCOC(=O)C1=NN(c2ccccc2)C(=O)N(C)[P@]1(=O)OC ZINC000003173515 462611344 /nfs/dbraw/zinc/61/13/44/462611344.db2.gz KACUFCRYFFEQRC-JOCHJYFZSA-N 0 0 325.261 2.275 40 0 EEABRN CCc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC000074581912 462615421 /nfs/dbraw/zinc/61/54/21/462615421.db2.gz LCKOHFCIIUKZGF-GXTWGEPZSA-N 0 0 330.413 2.259 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 ZINC000113948228 462617921 /nfs/dbraw/zinc/61/79/21/462617921.db2.gz OZRYUSQCHYPHQM-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN CC1(C)Oc2cc(S(=O)(=O)N3CCCCCC3)ccc2NC1=O ZINC000046088714 462646182 /nfs/dbraw/zinc/64/61/82/462646182.db2.gz SQEPECHQNBYANB-UHFFFAOYSA-N 0 0 338.429 2.361 40 0 EEABRN COC(=O)c1ccsc1N1CC[C@H](N(C)Cc2ccco2)C1=O ZINC000074980744 462662072 /nfs/dbraw/zinc/66/20/72/462662072.db2.gz JSKVCBBMYVEPSY-ZDUSSCGKSA-N 0 0 334.397 2.365 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 ZINC000006252328 462681058 /nfs/dbraw/zinc/68/10/58/462681058.db2.gz NPTXBPFCYWIJNH-UHFFFAOYSA-N 0 0 331.759 2.033 40 0 EEABRN COc1cc(Br)c(C(=S)N2CCOCC2)cc1OC ZINC000006380468 462684218 /nfs/dbraw/zinc/68/42/18/462684218.db2.gz XURZGBMLQHDYTL-UHFFFAOYSA-N 0 0 346.246 2.474 40 0 EEABRN Cc1ccc(-c2nc(C(=O)NCCO)nn2-c2ccccc2C)cc1 ZINC000008476577 462784307 /nfs/dbraw/zinc/78/43/07/462784307.db2.gz NKJUFYHQQGOZOZ-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)NC(C)C ZINC000008475842 462784539 /nfs/dbraw/zinc/78/45/39/462784539.db2.gz YMSZMUGTDZTDEJ-UHFFFAOYSA-N 0 0 340.445 2.054 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC ZINC000008475998 462784785 /nfs/dbraw/zinc/78/47/85/462784785.db2.gz VTNWMOFQFXUFHT-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN Cc1cc(CN(C)C(=O)C(=O)Nc2cc(F)ccc2Cl)no1 ZINC000076600993 462883596 /nfs/dbraw/zinc/88/35/96/462883596.db2.gz BALZHVBZVKPDLL-UHFFFAOYSA-N 0 0 325.727 2.373 40 0 EEABRN CC[C@H](C(=O)N1CCC(C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711129 462901219 /nfs/dbraw/zinc/90/12/19/462901219.db2.gz VBPUGIIXXGPXSW-MRXNPFEDSA-N 0 0 338.473 2.490 40 0 EEABRN CCc1nnc(NC(=O)CSc2nnc(CC)n2CC)s1 ZINC000013992582 462907590 /nfs/dbraw/zinc/90/75/90/462907590.db2.gz GLGJDYUQCWOGNQ-UHFFFAOYSA-N 0 0 326.451 2.005 40 0 EEABRN COc1ccc(C(=O)NCC(=O)Nc2ccccc2C)cc1OC ZINC000014153096 462914966 /nfs/dbraw/zinc/91/49/66/462914966.db2.gz JVIKDUFGXOVPAP-UHFFFAOYSA-N 0 0 328.368 2.381 40 0 EEABRN O=S(=O)(Oc1cccc(-n2cncn2)c1)c1cccc(F)c1F ZINC000076832998 462915171 /nfs/dbraw/zinc/91/51/71/462915171.db2.gz MJFFPYREEQLIIK-UHFFFAOYSA-N 0 0 337.307 2.313 40 0 EEABRN COc1cc(Br)cc(/C=C2\SC(=N)NC2=O)c1O ZINC000015018357 462938280 /nfs/dbraw/zinc/93/82/80/462938280.db2.gz OMODHILFDWKGLT-BAQGIRSFSA-N 0 0 329.175 2.302 40 0 EEABRN CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015675040 462959451 /nfs/dbraw/zinc/95/94/51/462959451.db2.gz XAJDAKJGFZPBQP-KOLCDFICSA-N 0 0 329.278 2.373 40 0 biogenic,in-vitro EEABRN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCCCC3)=N2)cc1 ZINC000017071552 462995013 /nfs/dbraw/zinc/99/50/13/462995013.db2.gz KWWXWUIZLQYFAP-INIZCTEOSA-N 0 0 342.443 2.479 40 0 EEABRN CC[C@@H](NC(=O)NCCN1CCOCC1)c1cc(F)ccc1F ZINC000077528428 463000552 /nfs/dbraw/zinc/00/05/52/463000552.db2.gz XJJPUGLAMPFBQR-OAHLLOKOSA-N 0 0 327.375 2.047 40 0 EEABRN CCc1nc(C)cc(N2CCN(C[C@H](O)c3cccs3)CC2)n1 ZINC000019523160 463017304 /nfs/dbraw/zinc/01/73/04/463017304.db2.gz QHMLRMNJSOXFQW-AWEZNQCLSA-N 0 0 332.473 2.265 40 0 EEABRN C[C@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019496990 463017413 /nfs/dbraw/zinc/01/74/13/463017413.db2.gz KCGVTASBGWFVSI-ZDUSSCGKSA-N 0 0 332.448 2.374 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc(CN(C)C)n(C)n2)[nH]n1 ZINC000019709088 463020407 /nfs/dbraw/zinc/02/04/07/463020407.db2.gz LGYIUPIOQRPIPL-KRWDZBQOSA-N 0 0 344.463 2.306 40 0 EEABRN O=C(NCc1cccnc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000020612610 463029698 /nfs/dbraw/zinc/02/96/98/463029698.db2.gz CXZWBWLIOHNMOC-UHFFFAOYSA-N 0 0 329.425 2.312 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000077837365 463059800 /nfs/dbraw/zinc/05/98/00/463059800.db2.gz ZETVYNTYCYALRJ-UHFFFAOYSA-N 0 0 336.779 2.027 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1 ZINC000024260287 463081602 /nfs/dbraw/zinc/08/16/02/463081602.db2.gz IGPGLQIBRYMSEK-UHFFFAOYSA-N 0 0 337.372 2.133 40 0 EEABRN Cc1oncc1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000096025903 463142607 /nfs/dbraw/zinc/14/26/07/463142607.db2.gz WTXYFQOGUQJESH-UHFFFAOYSA-N 0 0 341.289 2.456 40 0 EEABRN Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039829 463144807 /nfs/dbraw/zinc/14/48/07/463144807.db2.gz GYEPSXHPOPOMNQ-FUHWJXTLSA-N 0 0 334.416 2.421 40 0 EEABRN c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccncc2)c1 ZINC000096041366 463146104 /nfs/dbraw/zinc/14/61/04/463146104.db2.gz JQBBIYVYEXRENJ-FHWLQOOXSA-N 0 0 325.412 2.425 40 0 EEABRN O=C(c1ccco1)N1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096047053 463149724 /nfs/dbraw/zinc/14/97/24/463149724.db2.gz LNZFVWMADWYVKS-IBGZPJMESA-N 0 0 339.395 2.443 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)cn1 ZINC000096046266 463150195 /nfs/dbraw/zinc/15/01/95/463150195.db2.gz RLDQPPPQSBFHIK-FPMFFAJLSA-N 0 0 330.413 2.234 40 0 EEABRN Cc1ccc(CN2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049858 463152937 /nfs/dbraw/zinc/15/29/37/463152937.db2.gz ADFZLTVNFIWRPE-LJQANCHMSA-N 0 0 343.427 2.091 40 0 EEABRN CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2cn(CC3CC3)nc21 ZINC000096059960 463159861 /nfs/dbraw/zinc/15/98/61/463159861.db2.gz VFEZNTOICNAYDS-KRWDZBQOSA-N 0 0 329.448 2.163 40 0 EEABRN c1csc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC000096058095 463160456 /nfs/dbraw/zinc/16/04/56/463160456.db2.gz VRVWPAYABHZUPK-UXLLHSPISA-N 0 0 331.441 2.487 40 0 EEABRN Cc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)cs1 ZINC000096069762 463166246 /nfs/dbraw/zinc/16/62/46/463166246.db2.gz WHLFNGJGMZWGQS-INIZCTEOSA-N 0 0 342.468 2.485 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC000096080444 463169492 /nfs/dbraw/zinc/16/94/92/463169492.db2.gz ZJGBOXQPYLNFOP-INIZCTEOSA-N 0 0 348.468 2.022 40 0 EEABRN O=C(C1CCCC1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099524 463173376 /nfs/dbraw/zinc/17/33/76/463173376.db2.gz UADBLLDCASTRKY-UHFFFAOYSA-N 0 0 325.430 2.376 40 0 EEABRN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000096119224 463181249 /nfs/dbraw/zinc/18/12/49/463181249.db2.gz YZFRCVHEEKIKKB-LBPRGKRZSA-N 0 0 333.388 2.152 40 0 EEABRN Cc1occc1C(=O)NCCC(=O)N1CCOc2ccccc2C1 ZINC000079033451 463181898 /nfs/dbraw/zinc/18/18/98/463181898.db2.gz MGHCZUZVIOFCJM-UHFFFAOYSA-N 0 0 328.368 2.129 40 0 EEABRN O=C(Cc1ccc(Br)cc1)N1CCc2ncncc2C1 ZINC000096122801 463182430 /nfs/dbraw/zinc/18/24/30/463182430.db2.gz CHGBNKNSKGJJEY-UHFFFAOYSA-N 0 0 332.201 2.367 40 0 EEABRN Cc1ccc(N2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)nn1 ZINC000096158165 463189567 /nfs/dbraw/zinc/18/95/67/463189567.db2.gz FIMLBHSUJZDDKP-IBGZPJMESA-N 0 0 337.427 2.313 40 0 EEABRN C[C@@H](NC(=O)N1CCSCC1)c1nc(Cc2ccccc2)no1 ZINC000079136395 463191435 /nfs/dbraw/zinc/19/14/35/463191435.db2.gz JDDJWJHTZCFHND-GFCCVEGCSA-N 0 0 332.429 2.480 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161399 463192659 /nfs/dbraw/zinc/19/26/59/463192659.db2.gz YEZVQLRGOXJNAI-QAPCUYQASA-N 0 0 326.421 2.494 40 0 EEABRN O=C(c1ccco1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1 ZINC000096189135 463200508 /nfs/dbraw/zinc/20/05/08/463200508.db2.gz BYFDJCXDVIYKHN-CQSZACIVSA-N 0 0 338.367 2.222 40 0 EEABRN Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1cscn1)C2 ZINC000096198285 463204239 /nfs/dbraw/zinc/20/42/39/463204239.db2.gz PNGHWPYEGOBAQV-CYBMUJFWSA-N 0 0 332.429 2.043 40 0 EEABRN Fc1cccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202342 463207278 /nfs/dbraw/zinc/20/72/78/463207278.db2.gz KTALJEQBYLUBFE-IBGZPJMESA-N 0 0 342.418 2.345 40 0 EEABRN Cc1cc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)no1 ZINC000096207553 463209538 /nfs/dbraw/zinc/20/95/38/463209538.db2.gz ROPDOYOAKOZDTB-HNNXBMFYSA-N 0 0 339.399 2.286 40 0 EEABRN CC(C)Nc1ccnc([C@H]2COCCN2C(=O)COC2CCCC2)n1 ZINC000096215520 463213530 /nfs/dbraw/zinc/21/35/30/463213530.db2.gz XGUYJBGXNLDLRX-OAHLLOKOSA-N 0 0 348.447 2.156 40 0 EEABRN CCn1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C(N)=O)n1 ZINC000028238515 463219581 /nfs/dbraw/zinc/21/95/81/463219581.db2.gz VFYJZYAOLWRDIT-UHFFFAOYSA-N 0 0 344.415 2.317 40 0 EEABRN c1csc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226509 463220527 /nfs/dbraw/zinc/22/05/27/463220527.db2.gz NTHBSYQMJPZTIB-KRWDZBQOSA-N 0 0 330.457 2.410 40 0 EEABRN Cc1cccc(N2C[C@@]3(CCN(C(=O)c4ccno4)C3)CC2=O)c1 ZINC000096238573 463223263 /nfs/dbraw/zinc/22/32/63/463223263.db2.gz WWWYCVRKBVRXDQ-SFHVURJKSA-N 0 0 325.368 2.252 40 0 EEABRN CCC(=O)N1CC[C@@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244532 463225761 /nfs/dbraw/zinc/22/57/61/463225761.db2.gz REQUOGXLHXNAGR-GOSISDBHSA-N 0 0 330.432 2.017 40 0 EEABRN CN1C[C@@H](c2nnc[nH]2)c2cc(C(=O)NCc3ccccc3)ccc21 ZINC000096267731 463231048 /nfs/dbraw/zinc/23/10/48/463231048.db2.gz YPKRETJLCUMLKE-MRXNPFEDSA-N 0 0 333.395 2.316 40 0 EEABRN CC(C)N1c2sc(-c3ccccc3)nc2C[C@H]1C(=O)NCCCO ZINC000096264441 463231594 /nfs/dbraw/zinc/23/15/94/463231594.db2.gz IVASFLWHRFWERQ-HNNXBMFYSA-N 0 0 345.468 2.448 40 0 EEABRN CC[C@@H]1CN(C(=O)NCc2nccn2CC(F)(F)F)C[C@H](C)O1 ZINC000096405584 463239139 /nfs/dbraw/zinc/23/91/39/463239139.db2.gz IWVOTPQMZAMZIG-WDEREUQCSA-N 0 0 334.342 2.154 40 0 EEABRN CC(C)n1c2ccc(C(=O)OCC(N)=O)cc2nc1C(F)(F)F ZINC000096406948 463240578 /nfs/dbraw/zinc/24/05/78/463240578.db2.gz WNIYECBWJLWJSP-UHFFFAOYSA-N 0 0 329.278 2.278 40 0 EEABRN CC(=O)NCCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409634 463242953 /nfs/dbraw/zinc/24/29/53/463242953.db2.gz NZCACBUHIDUDJG-UHFFFAOYSA-N 0 0 349.275 2.039 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414077 463246852 /nfs/dbraw/zinc/24/68/52/463246852.db2.gz GACWXPOUWCZIQO-LLVKDONJSA-N 0 0 334.725 2.162 40 0 EEABRN CS[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000096416545 463248462 /nfs/dbraw/zinc/24/84/62/463248462.db2.gz RNBMDBIDJIRGKX-GJZGRUSLSA-N 0 0 334.489 2.483 40 0 EEABRN O=C(N[C@@H]1COc2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420509 463251903 /nfs/dbraw/zinc/25/19/03/463251903.db2.gz KYEQXUYJPOPEEE-MJGOQNOKSA-N 0 0 338.407 2.137 40 0 EEABRN O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)NC1CCCCC1 ZINC000054672229 463253613 /nfs/dbraw/zinc/25/36/13/463253613.db2.gz MSFSYWUFCVIHFN-KRWDZBQOSA-N 0 0 330.428 2.253 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000096427766 463256887 /nfs/dbraw/zinc/25/68/87/463256887.db2.gz NXMODOIGNIIKKM-OAHLLOKOSA-N 0 0 344.436 2.288 40 0 EEABRN CCS(=O)(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000096428261 463257972 /nfs/dbraw/zinc/25/79/72/463257972.db2.gz CGHKMPHGMRQRHT-UHFFFAOYSA-N 0 0 332.731 2.072 40 0 EEABRN C[C@@H](NS(=O)(=O)CCc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000096428171 463258220 /nfs/dbraw/zinc/25/82/20/463258220.db2.gz LWVIBHYEEFCXSE-CXAGYDPISA-N 0 0 337.416 2.410 40 0 EEABRN Cc1nc(C2CCCC2)sc1C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000096431205 463260135 /nfs/dbraw/zinc/26/01/35/463260135.db2.gz BYOWOCZBOFVVBP-JTQLQIEISA-N 0 0 342.486 2.368 40 0 EEABRN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000096439274 463266007 /nfs/dbraw/zinc/26/60/07/463266007.db2.gz VPCPRNPGGSHQMU-MNOVXSKESA-N 0 0 326.466 2.193 40 0 EEABRN Cc1nc(CN(C)CCNS(=O)(=O)c2ccc(C)cc2)oc1C ZINC000096441680 463267075 /nfs/dbraw/zinc/26/70/75/463267075.db2.gz ZVCOXXRUGIGHJD-UHFFFAOYSA-N 0 0 337.445 2.010 40 0 EEABRN C[S@@](=O)C[C@H](NC(=O)c1[nH]nc2ccccc21)c1ccccc1 ZINC000096445480 463269896 /nfs/dbraw/zinc/26/98/96/463269896.db2.gz BKQORIXNEIXTFC-WNSKOXEYSA-N 0 0 327.409 2.413 40 0 EEABRN Cc1c(C(=O)N(C)S(=O)(=O)C(C)C)cnn1-c1ccc(F)cc1 ZINC000096447652 463270698 /nfs/dbraw/zinc/27/06/98/463270698.db2.gz CRVRYMZGZFZJBG-UHFFFAOYSA-N 0 0 339.392 2.130 40 0 EEABRN CS[C@@H](C)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000096445590 463270790 /nfs/dbraw/zinc/27/07/90/463270790.db2.gz HTKCYHPZOHKAET-AWEZNQCLSA-N 0 0 334.485 2.335 40 0 EEABRN Cc1nnc(S[C@@H](C)Cc2ccc3ccccc3n2)n1CC(N)=O ZINC000096451097 463273107 /nfs/dbraw/zinc/27/31/07/463273107.db2.gz JDTSJOQGKQDTBA-NSHDSACASA-N 0 0 341.440 2.343 40 0 EEABRN O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(F)cc2[nH]cnc21 ZINC000096454594 463273962 /nfs/dbraw/zinc/27/39/62/463273962.db2.gz KPQDIQOBLOQJEG-UHFFFAOYSA-N 0 0 344.390 2.271 40 0 EEABRN O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCc2n[nH]cc2C1 ZINC000096454179 463274551 /nfs/dbraw/zinc/27/45/51/463274551.db2.gz WVSLBMJQKNZQLA-UHFFFAOYSA-N 0 0 329.310 2.072 40 0 EEABRN NC(=O)c1c[nH]c(C(=O)N2CCC[C@H](COc3ccccc3)C2)c1 ZINC000096454364 463274652 /nfs/dbraw/zinc/27/46/52/463274652.db2.gz DDARWIBPXVNWBH-ZDUSSCGKSA-N 0 0 327.384 2.045 40 0 EEABRN CCn1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000096475296 463279756 /nfs/dbraw/zinc/27/97/56/463279756.db2.gz LQWGELDPNGDGBC-UHFFFAOYSA-N 0 0 329.187 2.414 40 0 EEABRN Cc1nc(CC[S@](=O)CCN2C(=O)c3ccccc3C2=O)cs1 ZINC000096489179 463284810 /nfs/dbraw/zinc/28/48/10/463284810.db2.gz NVRBPFOKBLSMRG-HSZRJFAPSA-N 0 0 348.449 2.039 40 0 EEABRN CCc1nc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)no1 ZINC000096491986 463287894 /nfs/dbraw/zinc/28/78/94/463287894.db2.gz VOAQABBVVJTWOL-VIFPVBQESA-N 0 0 327.381 2.025 40 0 EEABRN Cn1cc(C[C@H]2CCN(c3nnc(-c4ccccn4)s3)C2)cn1 ZINC000096502982 463292357 /nfs/dbraw/zinc/29/23/57/463292357.db2.gz SDALSYQLWMKASL-GFCCVEGCSA-N 0 0 326.429 2.403 40 0 EEABRN COc1ccc([C@H](NC(=O)N2CCC[C@@H]2CO)C(F)(F)F)cc1 ZINC000097100230 463324139 /nfs/dbraw/zinc/32/41/39/463324139.db2.gz QFCFQKYRPWCKER-YPMHNXCESA-N 0 0 332.322 2.465 40 0 EEABRN O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cccc2nsnc21 ZINC000069822375 463334251 /nfs/dbraw/zinc/33/42/51/463334251.db2.gz FWFSDLLPURROBJ-LLVKDONJSA-N 0 0 347.421 2.493 40 0 EEABRN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccccc2OC)N1 ZINC000032100034 463365028 /nfs/dbraw/zinc/36/50/28/463365028.db2.gz CODMJIXQGUCXCK-AWEZNQCLSA-N 0 0 346.305 2.323 40 0 EEABRN CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000032639820 463385151 /nfs/dbraw/zinc/38/51/51/463385151.db2.gz MZPXDLGJKZZAGI-NWDGAFQWSA-N 0 0 330.862 2.435 40 0 EEABRN Nc1nccnc1C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000071195729 463411442 /nfs/dbraw/zinc/41/14/42/463411442.db2.gz VXIRYZMEIXHFAQ-HNNXBMFYSA-N 0 0 346.394 2.323 40 0 EEABRN O=C([O-])C[NH2+]CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000034574941 463428876 /nfs/dbraw/zinc/42/88/76/463428876.db2.gz SBRGQYMCIVBMQJ-UHFFFAOYSA-N 0 0 340.379 2.199 40 0 EEABRN O=C(Nc1ccc(N2CCCCC2)nc1)c1cccnc1-n1cncn1 ZINC000040489959 463456643 /nfs/dbraw/zinc/45/66/43/463456643.db2.gz OCBPKHBWTUIGHW-UHFFFAOYSA-N 0 0 349.398 2.300 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)S1 ZINC000081737780 463487224 /nfs/dbraw/zinc/48/72/24/463487224.db2.gz ZARHNMQGYFYZJJ-CYBMUJFWSA-N 0 0 332.473 2.002 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)N1CCCc2c(C(N)=O)cccc21 ZINC000041578823 463494758 /nfs/dbraw/zinc/49/47/58/463494758.db2.gz AAQXRYJUYYGJCZ-UHFFFAOYSA-N 0 0 340.427 2.048 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@@](C)(CO)[C@]3(C)OC(C)(C)O[C@@]3(C)[C@]2(C)O1 ZINC000072283197 463496214 /nfs/dbraw/zinc/49/62/14/463496214.db2.gz CYMKALUCKAWBMD-KSWRQPAISA-N 0 0 330.421 2.326 40 0 EEABRN CCn1cc(CNC(=O)[C@]2(C)Sc3ccccc3NC2=O)cn1 ZINC000041644658 463500369 /nfs/dbraw/zinc/50/03/69/463500369.db2.gz ATGRSHVNGZVJSX-INIZCTEOSA-N 0 0 330.413 2.022 40 0 EEABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379003 463510135 /nfs/dbraw/zinc/51/01/35/463510135.db2.gz ZPPNKPJXHWUXFE-CQSZACIVSA-N 0 0 336.399 2.319 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108536248 463611228 /nfs/dbraw/zinc/61/12/28/463611228.db2.gz BVIADTKSGVAPIM-HNNXBMFYSA-N 0 0 342.399 2.336 40 0 EEABRN COCCN1CC[C@]2(CCCN(C(=O)c3cccs3)CC2)C1=O ZINC000108535130 463611519 /nfs/dbraw/zinc/61/15/19/463611519.db2.gz NGMSYAWJUYWPKQ-QGZVFWFLSA-N 0 0 336.457 2.239 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000044894983 463699417 /nfs/dbraw/zinc/69/94/17/463699417.db2.gz BUEAMKFCFIXJRC-CQSZACIVSA-N 0 0 327.384 2.324 40 0 EEABRN CCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC ZINC000257173618 463756272 /nfs/dbraw/zinc/75/62/72/463756272.db2.gz SJKCZSKNPLMKRE-UHFFFAOYSA-N 0 0 336.457 2.406 40 0 EEABRN COC(C)(C)C(=O)N1CCOC[C@@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257228503 463756439 /nfs/dbraw/zinc/75/64/39/463756439.db2.gz FUDCSCRZWYDBMJ-AWEZNQCLSA-N 0 0 331.416 2.005 40 0 EEABRN CCCC[C@H]1Oc2ccc(S(=O)(=O)NCCC)cc2NC1=O ZINC000257173497 463756872 /nfs/dbraw/zinc/75/68/72/463756872.db2.gz PAZGUZUMSQFTJI-CQSZACIVSA-N 0 0 326.418 2.265 40 0 EEABRN Cc1cc(C)nc(N2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)n1 ZINC000257248571 463757405 /nfs/dbraw/zinc/75/74/05/463757405.db2.gz JEGRVYTYCKKKKA-KRWDZBQOSA-N 0 0 327.432 2.441 40 0 EEABRN CC(C)CC(=O)N1CC[C@@H](c2ncncc2-c2ccnc(N)c2)C1 ZINC000257284474 463761412 /nfs/dbraw/zinc/76/14/12/463761412.db2.gz PCVXUEMPEDFJBG-CQSZACIVSA-N 0 0 325.416 2.483 40 0 EEABRN Cc1nc(C(=O)N2CCC3(C[C@H](Cc4cncnc4)CO3)CC2)co1 ZINC000257284604 463761460 /nfs/dbraw/zinc/76/14/60/463761460.db2.gz PDKUSIJUJZVYMT-AWEZNQCLSA-N 0 0 342.399 2.027 40 0 EEABRN O=C1CO[C@H]2CN(CCC(F)(F)F)C[C@@H]2N1Cc1ccccc1 ZINC000257288995 463763474 /nfs/dbraw/zinc/76/34/74/463763474.db2.gz PWOFAMMQDMUDGV-KBPBESRZSA-N 0 0 328.334 2.051 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2cnccn2)C1 ZINC000257290463 463764304 /nfs/dbraw/zinc/76/43/04/463764304.db2.gz QDBSCFWHFVIIGK-OAHLLOKOSA-N 0 0 335.411 2.381 40 0 EEABRN COc1cccc(F)c1CN1CCOC[C@@H]1c1cc(=O)[nH]c(C)n1 ZINC000257290043 463764676 /nfs/dbraw/zinc/76/46/76/463764676.db2.gz QBHTVBKLJGPINM-OAHLLOKOSA-N 0 0 333.363 2.212 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257291373 463764863 /nfs/dbraw/zinc/76/48/63/463764863.db2.gz QGRGOHDLCDCMDU-HNNXBMFYSA-N 0 0 343.412 2.040 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2OC)cn1 ZINC000257290197 463765120 /nfs/dbraw/zinc/76/51/20/463765120.db2.gz QBYUMUXZLKUUKM-SFHVURJKSA-N 0 0 342.443 2.317 40 0 EEABRN Cc1nn(C)cc1CCC(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257305716 463770585 /nfs/dbraw/zinc/77/05/85/463770585.db2.gz SRDXPMTVTRNUCP-MRXNPFEDSA-N 0 0 343.431 2.009 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC(c2cnccn2)CC1 ZINC000257308671 463772475 /nfs/dbraw/zinc/77/24/75/463772475.db2.gz TXQXAIGMSSPXLU-UHFFFAOYSA-N 0 0 334.383 2.077 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2csc(C)n2)[C@@H](c2ccccc2)C1 ZINC000257326491 463779603 /nfs/dbraw/zinc/77/96/03/463779603.db2.gz WXJQHCVNIWIXDO-QGZVFWFLSA-N 0 0 343.452 2.426 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 ZINC000257326451 463780153 /nfs/dbraw/zinc/78/01/53/463780153.db2.gz WXGPNBQZBOFMJR-AWEZNQCLSA-N 0 0 336.399 2.074 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000257340673 463786469 /nfs/dbraw/zinc/78/64/69/463786469.db2.gz ZHDLWZJRBLCPEV-ZDUSSCGKSA-N 0 0 337.420 2.332 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3coc(C)n3)CC2)cn1 ZINC000257344430 463788172 /nfs/dbraw/zinc/78/81/72/463788172.db2.gz ZXELQXNMPCCXAM-CYBMUJFWSA-N 0 0 329.404 2.300 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260901818 463793421 /nfs/dbraw/zinc/79/34/21/463793421.db2.gz OICOQVDSVLZJIV-OLZOCXBDSA-N 0 0 342.461 2.010 40 0 EEABRN CC(C)n1cnnc1C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186222089 463955418 /nfs/dbraw/zinc/95/54/18/463955418.db2.gz YDMGKEUMSDKCJV-UHFFFAOYSA-N 0 0 349.460 2.010 40 0 EEABRN COc1ccccc1N1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC000222598911 464131427 /nfs/dbraw/zinc/13/14/27/464131427.db2.gz MXQVVZGHRFIJMB-UHFFFAOYSA-N 0 0 338.411 2.325 40 0 EEABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 ZINC000223075192 464136169 /nfs/dbraw/zinc/13/61/69/464136169.db2.gz CAEGIJREBJHQAS-HOTGVXAUSA-N 0 0 330.457 2.429 40 0 EEABRN O=C(NC1CCCCC1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223351677 464141643 /nfs/dbraw/zinc/14/16/43/464141643.db2.gz AXLHNJWCHMXBNS-HNNXBMFYSA-N 0 0 344.411 2.355 40 0 EEABRN O=C(Cc1c[nH]c2ccccc12)NCc1nccc(N2CCCC2)n1 ZINC000224151870 464148578 /nfs/dbraw/zinc/14/85/78/464148578.db2.gz VHIICUQEMHABCI-UHFFFAOYSA-N 0 0 335.411 2.417 40 0 EEABRN CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1cccnc1 ZINC000224357530 464151682 /nfs/dbraw/zinc/15/16/82/464151682.db2.gz KPIOFWNSNQLUAM-UHFFFAOYSA-N 0 0 326.404 2.180 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225191616 464153938 /nfs/dbraw/zinc/15/39/38/464153938.db2.gz PQCXJCFQBFOIBJ-LLVKDONJSA-N 0 0 332.853 2.267 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCc2ccc(OC)c(C)c2)CC1 ZINC000225249238 464155923 /nfs/dbraw/zinc/15/59/23/464155923.db2.gz JNINWUAVBDOUSI-UHFFFAOYSA-N 0 0 334.416 2.237 40 0 EEABRN Cc1ccc(CS(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000225257690 464156459 /nfs/dbraw/zinc/15/64/59/464156459.db2.gz YQPODATXVVLHLF-HNNXBMFYSA-N 0 0 333.409 2.254 40 0 EEABRN O=C(COc1ccccc1)N1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000225478035 464164086 /nfs/dbraw/zinc/16/40/86/464164086.db2.gz RRLYSZNJABUERL-HOCLYGCPSA-N 0 0 338.363 2.066 40 0 biogenic,in-vitro EEABRN CCCn1cc(CN2CCCN(c3ncnc(N)c3Cl)CC2)cn1 ZINC000225478337 464164108 /nfs/dbraw/zinc/16/41/08/464164108.db2.gz VMSQAUAKRQLFIN-UHFFFAOYSA-N 0 0 349.870 2.031 40 0 EEABRN O=C(COc1ccccc1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000239611692 464444198 /nfs/dbraw/zinc/44/41/98/464444198.db2.gz FASKIFGOLWYEBH-KOMQPUFPSA-N 0 0 327.384 2.362 40 0 EEABRN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCSCC[C@@H]1C)CC2 ZINC000189145236 464445012 /nfs/dbraw/zinc/44/50/12/464445012.db2.gz AYWPHWBCLWRYQT-QWHCGFSZSA-N 0 0 337.493 2.253 40 0 EEABRN C[C@]12CCCN1C(=O)N([C@@H]1CCN(c3ncccc3Cl)C1)C2=O ZINC000239882037 464445254 /nfs/dbraw/zinc/44/52/54/464445254.db2.gz CZYYKKOPZZWHSM-BDJLRTHQSA-N 0 0 334.807 2.130 40 0 EEABRN CCOc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000242692996 464458538 /nfs/dbraw/zinc/45/85/38/464458538.db2.gz CXISNWFEIYXJHU-UHFFFAOYSA-N 0 0 348.424 2.311 40 0 EEABRN O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000247724308 464703628 /nfs/dbraw/zinc/70/36/28/464703628.db2.gz BQNWWYIGRUZXHI-OAHLLOKOSA-N 0 0 346.427 2.037 40 0 EEABRN Cc1ccc(C(=O)N2CCc3cnn(C)c3[C@H]2COCC2CC2)cn1 ZINC000248021057 464723573 /nfs/dbraw/zinc/72/35/73/464723573.db2.gz HVFYJKRDCLMNDW-QGZVFWFLSA-N 0 0 340.427 2.290 40 0 EEABRN C[C@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC000191686718 464824668 /nfs/dbraw/zinc/82/46/68/464824668.db2.gz OJRRJEVSPZMMAH-MADCSZMMSA-N 0 0 339.754 2.477 40 0 EEABRN Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000192295590 464901550 /nfs/dbraw/zinc/90/15/50/464901550.db2.gz GFRCTIWDVUXYFQ-UHFFFAOYSA-N 0 0 338.816 2.226 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@]2(O)CCO[C@H]2C)c1 ZINC000252497101 464969757 /nfs/dbraw/zinc/96/97/57/464969757.db2.gz PZBFKKGYEYHRJL-XHDPSFHLSA-N 0 0 347.864 2.282 40 0 EEABRN NC(=O)c1cccc(NC(=O)CN2c3ccccc3CCCC2=O)c1 ZINC000252507425 464974212 /nfs/dbraw/zinc/97/42/12/464974212.db2.gz WLDUJDQJQIICOZ-UHFFFAOYSA-N 0 0 337.379 2.094 40 0 EEABRN COc1ccc2cc(C(=O)N[C@@H]3CC[C@@H]4OCCO[C@@H]4C3)[nH]c2c1 ZINC000253397898 465001735 /nfs/dbraw/zinc/00/17/35/465001735.db2.gz GEQCVJXJNHOMRJ-OAUYIBNBSA-N 0 0 330.384 2.243 40 0 EEABRN O=S(=O)(c1ccccc1)N1CCCN(Cc2nccs2)CC1 ZINC000253398640 465001803 /nfs/dbraw/zinc/00/18/03/465001803.db2.gz IZEAEMUJXJBNSN-UHFFFAOYSA-N 0 0 337.470 2.040 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)o1 ZINC000253416614 465004701 /nfs/dbraw/zinc/00/47/01/465004701.db2.gz RURBOKAXJFAGMO-JQFCIGGWSA-N 0 0 335.448 2.024 40 0 EEABRN O=C(N1CCOCC1)N1CCC(Oc2ccncc2Cl)CC1 ZINC000253472192 465016246 /nfs/dbraw/zinc/01/62/46/465016246.db2.gz KAKDKMNPAZNMAL-UHFFFAOYSA-N 0 0 325.796 2.030 40 0 EEABRN COCCCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000339891047 465581023 /nfs/dbraw/zinc/58/10/23/465581023.db2.gz OJCRNYVAFGKNJG-UHFFFAOYSA-N 0 0 332.194 2.233 40 0 EEABRN CC[C@@H](C)n1nc(C(=O)NC2CCN(c3nccn3C)CC2)cc1C ZINC000331694128 466200150 /nfs/dbraw/zinc/20/01/50/466200150.db2.gz YCOIBKYBMTWUAG-CYBMUJFWSA-N 0 0 344.463 2.295 40 0 EEABRN Cc1cc(S(=O)(=O)N(CCO)c2ccccc2)c(F)cc1F ZINC000304826421 466319501 /nfs/dbraw/zinc/31/95/01/466319501.db2.gz HFGJQJXWMSYBQZ-UHFFFAOYSA-N 0 0 327.352 2.461 40 0 EEABRN CN(C)C(=O)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306133882 466492332 /nfs/dbraw/zinc/49/23/32/466492332.db2.gz MYMOVKVHAKYDIJ-CQSZACIVSA-N 0 0 342.447 2.191 40 0 EEABRN COCCCNC(=O)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000306144135 466493787 /nfs/dbraw/zinc/49/37/87/466493787.db2.gz YXBBGKKHGZWLSC-CYBMUJFWSA-N 0 0 331.391 2.473 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@H]3CCN(c4ccccn4)[C@H]3CC2)cn1 ZINC000306139131 466494790 /nfs/dbraw/zinc/49/47/90/466494790.db2.gz SQASBJKEUVVWQH-WBVHZDCISA-N 0 0 337.427 2.311 40 0 EEABRN O=C(Cc1ccccc1O[C@@H]1CCOC1)Nc1cc(C2CC2)[nH]n1 ZINC000582102849 468503758 /nfs/dbraw/zinc/50/37/58/468503758.db2.gz LMZOAYTWXILSLY-CQSZACIVSA-N 0 0 327.384 2.636 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408562440 466681141 /nfs/dbraw/zinc/68/11/41/466681141.db2.gz PNWDFVGTRIJWIO-GFCCVEGCSA-N 0 0 325.434 2.391 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 ZINC000408574995 466681284 /nfs/dbraw/zinc/68/12/84/466681284.db2.gz VICVRTGFKRDURM-CHWSQXEVSA-N 0 0 341.411 2.099 40 0 EEABRN CCc1ccccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000408595224 466681917 /nfs/dbraw/zinc/68/19/17/466681917.db2.gz UITSHGISXYQSDC-UHFFFAOYSA-N 0 0 332.425 2.468 40 0 EEABRN CC(C)NC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000409138379 466685362 /nfs/dbraw/zinc/68/53/62/466685362.db2.gz AWHQXZHYOJPPPJ-UHFFFAOYSA-N 0 0 332.385 2.480 40 0 EEABRN Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC000390830283 467413213 /nfs/dbraw/zinc/41/32/13/467413213.db2.gz JYDJSJIXGTZUAT-LLVKDONJSA-N 0 0 341.383 2.267 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1 ZINC000390830627 467413271 /nfs/dbraw/zinc/41/32/71/467413271.db2.gz MHZJFYHZLHLCKO-HNNXBMFYSA-N 0 0 347.440 2.191 40 0 EEABRN C[C@H](C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)n1cncn1 ZINC000390835388 467414929 /nfs/dbraw/zinc/41/49/29/467414929.db2.gz MGNBXEIOHGBHCY-RNCFNFMXSA-N 0 0 343.214 2.386 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccnc1 ZINC000575405175 468141536 /nfs/dbraw/zinc/14/15/36/468141536.db2.gz WTAABKYOFFTNQL-DJIMGWMZSA-N 0 0 330.428 2.262 40 0 EEABRN CC(C)[C@H](Cn1ccnn1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000575606729 468146411 /nfs/dbraw/zinc/14/64/11/468146411.db2.gz FCLKAWITCAWITK-NSHDSACASA-N 0 0 327.310 2.147 40 0 EEABRN COc1ccccc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609056 468147759 /nfs/dbraw/zinc/14/77/59/468147759.db2.gz RLPHYWXAFFKLQB-UHFFFAOYSA-N 0 0 338.411 2.325 40 0 EEABRN O=C(CSc1ccc(F)cc1)NCCn1nc(C2CC2)ccc1=O ZINC000575609019 468147770 /nfs/dbraw/zinc/14/77/70/468147770.db2.gz RIWIQCRRVUBXLP-UHFFFAOYSA-N 0 0 347.415 2.168 40 0 EEABRN Cc1cc(NC(=O)CN2C[C@H](c3cccc(F)c3)OCC2(C)C)no1 ZINC000585094531 468963445 /nfs/dbraw/zinc/96/34/45/468963445.db2.gz YYZXEBRADPXVSX-OAHLLOKOSA-N 0 0 347.390 2.913 40 0 EEABRN CC(C)C(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@@H]1C ZINC000585096515 468964711 /nfs/dbraw/zinc/96/47/11/468964711.db2.gz RHXOXBVXRGNARP-LBPRGKRZSA-N 0 0 346.456 2.434 40 0 EEABRN CC1CC(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@H]2C)C1 ZINC000585097083 468965168 /nfs/dbraw/zinc/96/51/68/468965168.db2.gz FLTBEVFMTGZTCT-JVWICGRDSA-N 0 0 332.448 2.024 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099171 468966854 /nfs/dbraw/zinc/96/68/54/468966854.db2.gz RETCEAPNCGOFOK-INIZCTEOSA-N 0 0 342.443 2.333 40 0 EEABRN Cc1nc(C(=O)N2Cc3ccnn3CC[C@H]2COCC(C)C)c[nH]1 ZINC000585098350 468967298 /nfs/dbraw/zinc/96/72/98/468967298.db2.gz WOYUIFNDHKMKBH-HNNXBMFYSA-N 0 0 331.420 2.002 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000585100883 468968785 /nfs/dbraw/zinc/96/87/85/468968785.db2.gz MYKATESBJALKDL-WOVHFWOGSA-N 0 0 334.391 2.359 40 0 EEABRN O=C(N[C@H]1CCOC2(CCN(C(=O)c3cccs3)CC2)C1)C1CC1 ZINC000585102391 468970889 /nfs/dbraw/zinc/97/08/89/468970889.db2.gz FVGMMIQMSMTAJO-AWEZNQCLSA-N 0 0 348.468 2.428 40 0 EEABRN CCOCC(=O)N1CCc2[nH]nc(-c3ccccc3OC)c2CC1 ZINC000585110444 468973222 /nfs/dbraw/zinc/97/32/22/468973222.db2.gz XBYRTINYZFDUBE-UHFFFAOYSA-N 0 0 329.400 2.049 40 0 EEABRN Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCO[C@H]3c3cc[nH]n3)cc2)o1 ZINC000585123827 468981775 /nfs/dbraw/zinc/98/17/75/468981775.db2.gz CDKLYZCEZYNJBT-UKRRQHHQSA-N 0 0 339.355 2.028 40 0 EEABRN O=C(COc1ccccc1F)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585271661 468996867 /nfs/dbraw/zinc/99/68/67/468996867.db2.gz IFOCFLDATCSALJ-IBGZPJMESA-N 0 0 345.370 2.247 40 0 EEABRN O=C(CCCn1cccn1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585270787 468997146 /nfs/dbraw/zinc/99/71/46/468997146.db2.gz AOILIEVCUTUTOZ-MSOLQXFVSA-N 0 0 327.428 2.115 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)C2CCOCC2)C1 ZINC000585277237 469001994 /nfs/dbraw/zinc/00/19/94/469001994.db2.gz NPYOZOZZCRKYOK-LJQANCHMSA-N 0 0 333.428 2.418 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1CC(N)=O ZINC000585277295 469002308 /nfs/dbraw/zinc/00/23/08/469002308.db2.gz UCXAAYAUCOKKSM-ZWNOBZJWSA-N 0 0 344.333 2.058 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585277697 469003220 /nfs/dbraw/zinc/00/32/20/469003220.db2.gz OEYXTLVEBRBREK-SFHVURJKSA-N 0 0 347.390 2.027 40 0 EEABRN CCn1nccc1C(=O)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 ZINC000585278480 469003780 /nfs/dbraw/zinc/00/37/80/469003780.db2.gz FOTAAOBEVNLVOP-RHSMWYFYSA-N 0 0 331.391 2.108 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585278600 469005251 /nfs/dbraw/zinc/00/52/51/469005251.db2.gz UNDMZCBOUPFODA-RHSMWYFYSA-N 0 0 332.375 2.198 40 0 EEABRN C[C@]1(C(F)F)CN(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CCO1 ZINC000664917611 471897593 /nfs/dbraw/zinc/89/75/93/471897593.db2.gz WPHSEMKKCMBPNZ-BLLLJJGKSA-N 0 0 344.333 2.195 40 0 EEABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000113941341 533866250 /nfs/dbraw/zinc/86/62/50/533866250.db2.gz XFYOWNWVPXYFEA-SNVBAGLBSA-N 0 0 348.852 2.028 40 0 EEABRN Cc1cc2c(cc1NC(=O)N1CCC(Cn3cncn3)CC1)OCO2 ZINC000189324886 534063818 /nfs/dbraw/zinc/06/38/18/534063818.db2.gz IXNCYNONMFRWMA-UHFFFAOYSA-N 0 0 343.387 2.259 40 0 EEABRN C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 ZINC000001345084 525883699 /nfs/dbraw/zinc/88/36/99/525883699.db2.gz MCIPCXBCJGJUNB-GFCCVEGCSA-N 0 0 327.336 2.304 40 0 EEABRN Cn1nc(C2CC2)cc1N1CCN(C(=O)Cc2cccs2)CC1 ZINC000225569384 527550313 /nfs/dbraw/zinc/55/03/13/527550313.db2.gz FWAMDHQOLHLPES-UHFFFAOYSA-N 0 0 330.457 2.250 40 0 EEABRN CCN1C[C@@H](C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1=O ZINC000131876422 527918121 /nfs/dbraw/zinc/91/81/21/527918121.db2.gz LHCZZFSPRDHVME-JOYOIKCWSA-N 0 0 345.226 2.011 40 0 EEABRN CC(C)n1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)n1 ZINC000079043459 528590556 /nfs/dbraw/zinc/59/05/56/528590556.db2.gz UDLOWHQPJMTCTO-UHFFFAOYSA-N 0 0 347.463 2.264 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1 ZINC000257260237 536750029 /nfs/dbraw/zinc/75/00/29/536750029.db2.gz LBXIXPLZUAKWTA-SFHVURJKSA-N 0 0 341.411 2.097 40 0 EEABRN COc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(C)o2)n1 ZINC000225914103 536825791 /nfs/dbraw/zinc/82/57/91/536825791.db2.gz QVIKEKGZQPPBDK-UHFFFAOYSA-N 0 0 347.444 2.473 40 0 EEABRN CCc1cc(N2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)nc(C)n1 ZINC000895915012 684774241 /nfs/dbraw/zinc/77/42/41/684774241.db2.gz SBNQSNJVDQKYCU-UHFFFAOYSA-N 0 0 338.415 2.256 40 0 EEABRN Cn1cncc1CN1CCC2(CC(=O)N(Cc3ccccc3)O2)CC1 ZINC001549162143 1121134242 /nfs/dbraw/zinc/13/42/42/1121134242.db2.gz OLSDWCYYGSZHEZ-UHFFFAOYSA-N 0 0 340.427 2.119 40 0 EEABRN Cc1cc(F)ccc1[C@H](C)NC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC001548452869 1124295010 /nfs/dbraw/zinc/29/50/10/1124295010.db2.gz OYTXOLJVWUXYBN-STQMWFEESA-N 0 0 342.436 2.414 40 0 EEABRN O=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1[nH]nc2c1COCC2 ZINC001548453228 1124295244 /nfs/dbraw/zinc/29/52/44/1124295244.db2.gz OBVLZQPBZAKZJH-SFHVURJKSA-N 0 0 346.475 2.143 40 0 EEABRN COc1ccc(CCCN(C)C(=O)NCCc2cnn(C)c2)cc1 ZINC000050146510 214046464 /nfs/dbraw/zinc/04/64/64/214046464.db2.gz YBTRXQGMOMYUKO-UHFFFAOYSA-N 0 0 330.432 2.245 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000055546825 214328311 /nfs/dbraw/zinc/32/83/11/214328311.db2.gz BTPMHMPKCGNXRG-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN CNC(=O)CCCN(C)C(=O)Cc1ccc(C)c(Br)c1 ZINC000189591969 529850092 /nfs/dbraw/zinc/85/00/92/529850092.db2.gz UNJXNTKRGKSJSP-UHFFFAOYSA-N 0 0 341.249 2.285 40 0 EEABRN CNC(=O)NCC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000089569824 529884791 /nfs/dbraw/zinc/88/47/91/529884791.db2.gz SNCUXRJOBQDCCB-UHFFFAOYSA-N 0 0 332.231 2.316 40 0 EEABRN CCN1C(=O)[C@H]2[C@@H](c3ccccc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000101189066 219118890 /nfs/dbraw/zinc/11/88/90/219118890.db2.gz FAALHDIIFHNNBL-KSZLIROESA-N 0 0 335.407 2.122 40 0 EEABRN O=C([C@H]1CCCO1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 ZINC000004111860 210123459 /nfs/dbraw/zinc/12/34/59/210123459.db2.gz YXPZYAMZYGMBTI-UONOGXRCSA-N 0 0 341.816 2.163 40 0 EEABRN C[C@@H]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@@H]1C ZINC000178714993 232402189 /nfs/dbraw/zinc/40/21/89/232402189.db2.gz CMXPRWDHORBHNW-NXEZZACHSA-N 0 0 331.342 2.347 40 0 EEABRN Cc1cc(C)nc(SCC(=O)N[C@@H]2COc3ccccc3C2)n1 ZINC000045786452 213756407 /nfs/dbraw/zinc/75/64/07/213756407.db2.gz JQYVOPCAZQFIIW-AWEZNQCLSA-N 0 0 329.425 2.305 40 0 EEABRN O=C(CCC(=O)N1CCC[C@H](c2ccccc2)CC1)N1CCOCC1 ZINC000066765534 215077525 /nfs/dbraw/zinc/07/75/25/215077525.db2.gz BDSZCVQNJZVANQ-SFHVURJKSA-N 0 0 344.455 2.422 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N1CCCC1 ZINC000205855673 539656735 /nfs/dbraw/zinc/65/67/35/539656735.db2.gz JESGPKURCMRMIB-UKTHLTGXSA-N 0 0 334.372 2.484 40 0 EEABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCN1CCOCC1 ZINC000222962023 539658057 /nfs/dbraw/zinc/65/80/57/539658057.db2.gz JOMTUUIEAWHQOG-KRWDZBQOSA-N 0 0 334.460 2.299 40 0 EEABRN COCCOCC(=O)N[C@H]1CCc2c1cccc2Br ZINC000068033281 215271702 /nfs/dbraw/zinc/27/17/02/215271702.db2.gz PHAAANYAORDLMV-ZDUSSCGKSA-N 0 0 328.206 2.216 40 0 EEABRN Cc1nn(C)c2cn(Cc3ccc(C(=O)Nc4nccs4)o3)nc12 ZINC000041123829 213419705 /nfs/dbraw/zinc/41/97/05/213419705.db2.gz CZTYFVDZAAKFLK-UHFFFAOYSA-N 0 0 342.384 2.428 40 0 EEABRN Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(CC(N)=O)cs2)c1 ZINC000040485497 213316359 /nfs/dbraw/zinc/31/63/59/213316359.db2.gz HXFKEKNSWXTKSM-UHFFFAOYSA-N 0 0 345.424 2.389 40 0 EEABRN Fc1cnc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)nc1 ZINC000096074864 283034181 /nfs/dbraw/zinc/03/41/81/283034181.db2.gz JPKVNXLTZCTLHD-IBGZPJMESA-N 0 0 342.418 2.487 40 0 EEABRN O=C(CSc1nncs1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186898833 236057767 /nfs/dbraw/zinc/05/77/67/236057767.db2.gz PSAORPZLGRZAEO-OAHLLOKOSA-N 0 0 333.438 2.288 40 0 EEABRN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000036075239 213059786 /nfs/dbraw/zinc/05/97/86/213059786.db2.gz DYDMWHPMDJAZDC-QGZVFWFLSA-N 0 0 338.407 2.360 40 0 EEABRN Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007602626 236894838 /nfs/dbraw/zinc/89/48/38/236894838.db2.gz YKRYMCRHDMQGDV-UHFFFAOYSA-N 0 0 348.769 2.371 40 0 EEABRN CO[C@H](C)CNC(=O)Nc1ccc(I)cc1 ZINC000189650612 237105106 /nfs/dbraw/zinc/10/51/06/237105106.db2.gz PVSGKDFFGFCFIF-MRVPVSSYSA-N 0 0 334.157 2.448 40 0 EEABRN Cc1ccc(NCc2nnc(SCC(=O)N3CCCC3)n2C)cc1 ZINC000000416232 209579661 /nfs/dbraw/zinc/57/96/61/209579661.db2.gz PKKSLOGCMIAEJA-UHFFFAOYSA-N 0 0 345.472 2.450 40 0 EEABRN Cc1cc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)no1 ZINC000000414189 209577735 /nfs/dbraw/zinc/57/77/35/209577735.db2.gz KDIFGSQEHNROJN-UHFFFAOYSA-N 0 0 344.400 2.306 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC(O)(c3cccnc3F)CC2)s1 ZINC000072340021 216158566 /nfs/dbraw/zinc/15/85/66/216158566.db2.gz VJNJQHKQCLFZLD-UHFFFAOYSA-N 0 0 335.404 2.418 40 0 EEABRN c1c[nH]c(CN2CCC(c3ccnc(Nc4cncnc4)n3)CC2)n1 ZINC000072354972 216164023 /nfs/dbraw/zinc/16/40/23/216164023.db2.gz WCIDNGBRPBUBRM-UHFFFAOYSA-N 0 0 336.403 2.113 40 0 EEABRN COc1cccc(-c2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)c1 ZINC000072367813 216175101 /nfs/dbraw/zinc/17/51/01/216175101.db2.gz NKOCMXXNNJRVND-OAHLLOKOSA-N 0 0 325.412 2.422 40 0 EEABRN Cc1cc(-c2cc3nc(C)c(C)c(NC[C@H]4COCCO4)n3n2)no1 ZINC000072396862 216192279 /nfs/dbraw/zinc/19/22/79/216192279.db2.gz PZHQANOSPKOBCF-ZDUSSCGKSA-N 0 0 343.387 2.137 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]1C ZINC000190041448 238186679 /nfs/dbraw/zinc/18/66/79/238186679.db2.gz IWQNXWUZVJYAAJ-RKDXNWHRSA-N 0 0 348.296 2.419 40 0 EEABRN CC(C)c1nc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cs1 ZINC000072675504 216291489 /nfs/dbraw/zinc/29/14/89/216291489.db2.gz NOOQGQHLNDIJNW-LBPRGKRZSA-N 0 0 332.429 2.118 40 0 EEABRN C[C@@H](N1CCN(C(=O)Nc2ccc(N(C)C)cn2)CC1)C(F)(F)F ZINC000193850629 240336816 /nfs/dbraw/zinc/33/68/16/240336816.db2.gz JZODFYSFXNERSF-LLVKDONJSA-N 0 0 345.369 2.248 40 0 EEABRN Cn1nc(C(=O)N2CCS[C@H](c3ccccc3)CC2)ccc1=O ZINC000208039422 241065199 /nfs/dbraw/zinc/06/51/99/241065199.db2.gz ULIOJBAPLMJSQJ-HNNXBMFYSA-N 0 0 329.425 2.101 40 0 EEABRN CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000216264702 241176484 /nfs/dbraw/zinc/17/64/84/241176484.db2.gz OFXCYJQTDJQFJT-LBPRGKRZSA-N 0 0 340.445 2.289 40 0 EEABRN CC(C)COCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000225720581 242003356 /nfs/dbraw/zinc/00/33/56/242003356.db2.gz VCNBRTHDPMBBQP-LJQANCHMSA-N 0 0 345.487 2.082 40 0 EEABRN CCOC(=O)c1ccc(N2CCCN(c3nccc(C)n3)CC2)nc1 ZINC000242273728 243015850 /nfs/dbraw/zinc/01/58/50/243015850.db2.gz YFLBDRISBGGBTE-UHFFFAOYSA-N 0 0 341.415 2.073 40 0 EEABRN O=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@@H]1CCCCNC1=O ZINC000242106333 243009182 /nfs/dbraw/zinc/00/91/82/243009182.db2.gz WITPOHLZMUMUGF-OAHLLOKOSA-N 0 0 333.407 2.116 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)cn1 ZINC000248094566 243524693 /nfs/dbraw/zinc/52/46/93/243524693.db2.gz MEQBVSJDEQHMPH-INIZCTEOSA-N 0 0 339.395 2.238 40 0 EEABRN Cc1ccnc(OCC[C@@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000253480640 244000770 /nfs/dbraw/zinc/00/07/70/244000770.db2.gz XYNMYXOXVJOHBW-MRXNPFEDSA-N 0 0 345.443 2.362 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257199941 244114333 /nfs/dbraw/zinc/11/43/33/244114333.db2.gz ABIYHDHJWAZDMI-UHFFFAOYSA-N 0 0 339.399 2.283 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257217740 244173401 /nfs/dbraw/zinc/17/34/01/244173401.db2.gz DAJSWYKWOAOESK-GOSISDBHSA-N 0 0 325.412 2.431 40 0 EEABRN Cc1ocnc1C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257208562 244143234 /nfs/dbraw/zinc/14/32/34/244143234.db2.gz BMRDKUOGMFPZLA-BFYDXBDKSA-N 0 0 330.384 2.464 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)s1 ZINC000257210517 244150502 /nfs/dbraw/zinc/15/05/02/244150502.db2.gz BUYZGUIZMBZLQT-GJZGRUSLSA-N 0 0 332.425 2.496 40 0 EEABRN Cc1ncsc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257221479 244186337 /nfs/dbraw/zinc/18/63/37/244186337.db2.gz DPERWZSXUHARBH-CQSZACIVSA-N 0 0 332.429 2.024 40 0 EEABRN COCc1cccc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)c1 ZINC000257220123 244183017 /nfs/dbraw/zinc/18/30/17/244183017.db2.gz DJPUYUDCRQTZHI-SFHVURJKSA-N 0 0 341.411 2.097 40 0 EEABRN O=C(CC1CC1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 ZINC000257247053 244259664 /nfs/dbraw/zinc/25/96/64/244259664.db2.gz IXELAAGHSMNHIM-SFHVURJKSA-N 0 0 329.444 2.377 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@@H](Cc3nccnc3N(C)C)C2)n1 ZINC000257254126 244274607 /nfs/dbraw/zinc/27/46/07/244274607.db2.gz KBSVUORIDNPAQH-HNNXBMFYSA-N 0 0 326.448 2.409 40 0 EEABRN CCc1nccn1CCC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257268430 244368257 /nfs/dbraw/zinc/36/82/57/244368257.db2.gz MLQSTRJCTMMGEC-HNNXBMFYSA-N 0 0 343.431 2.184 40 0 EEABRN CC(=O)Nc1ncc(-c2cncc(C3CCN(C(C)=O)CC3)n2)s1 ZINC000257263068 244352915 /nfs/dbraw/zinc/35/29/15/244352915.db2.gz LOGIENLWBHQPDB-UHFFFAOYSA-N 0 0 345.428 2.284 40 0 EEABRN Cc1nccn1CC(=O)N(C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257271788 244379141 /nfs/dbraw/zinc/37/91/41/244379141.db2.gz MZUFNHMPTOAMLH-INIZCTEOSA-N 0 0 327.432 2.022 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCCC3)CCN2C)c1 ZINC000257276688 244393475 /nfs/dbraw/zinc/39/34/75/244393475.db2.gz NUSVLXFHEWHCTP-GOSISDBHSA-N 0 0 343.471 2.442 40 0 EEABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccco2)c1 ZINC000019934439 212086559 /nfs/dbraw/zinc/08/65/59/212086559.db2.gz ADEVHNDLADMJSK-UHFFFAOYSA-N 0 0 328.777 2.235 40 0 EEABRN Cc1ccc(C[C@@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)cn1 ZINC000257299625 244458709 /nfs/dbraw/zinc/45/87/09/244458709.db2.gz RQVHIEPZHMLRGM-INIZCTEOSA-N 0 0 327.432 2.198 40 0 EEABRN Cn1cnc2cc(C(=O)N3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc21 ZINC000019747727 212061631 /nfs/dbraw/zinc/06/16/31/212061631.db2.gz QQHCEVXOOKIOFJ-CQSZACIVSA-N 0 0 349.394 2.069 40 0 EEABRN COCC(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 ZINC000019593028 212050463 /nfs/dbraw/zinc/05/04/63/212050463.db2.gz WKNHSDKXSOJQBX-UHFFFAOYSA-N 0 0 334.379 2.468 40 0 EEABRN Cc1cc(=O)n(CC(=O)N[C@H](C)Cc2ccccn2)c2ccccc12 ZINC000019566477 212043880 /nfs/dbraw/zinc/04/38/80/212043880.db2.gz ASZHXJRZRYZHNV-OAHLLOKOSA-N 0 0 335.407 2.452 40 0 EEABRN COc1ccc(-n2ncc3c2CCCN(C(=O)c2cnccn2)C3)cc1 ZINC000019558926 212041955 /nfs/dbraw/zinc/04/19/55/212041955.db2.gz JYSMDGHTEBDBOS-UHFFFAOYSA-N 0 0 349.394 2.260 40 0 EEABRN Cc1csc2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12 ZINC000019240429 212008376 /nfs/dbraw/zinc/00/83/76/212008376.db2.gz BBTMFFIJZHJSCW-CYBMUJFWSA-N 0 0 344.444 2.010 40 0 EEABRN CCOCCOC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000078411138 217050082 /nfs/dbraw/zinc/05/00/82/217050082.db2.gz NJZUKORJDODVHI-OAHLLOKOSA-N 0 0 348.424 2.263 40 0 EEABRN O=C(CCc1cc(Br)cs1)N1CCCS1(=O)=O ZINC000078657759 217096392 /nfs/dbraw/zinc/09/63/92/217096392.db2.gz XCJVNFWOMNYTES-UHFFFAOYSA-N 0 0 338.248 2.005 40 0 EEABRN CC(C)C[C@](C)(NC(=O)c1ccc(NC(=O)NC(C)C)cc1)C(N)=O ZINC000078919003 217147379 /nfs/dbraw/zinc/14/73/79/217147379.db2.gz FZVKQDCUZTVOAD-SFHVURJKSA-N 0 0 348.447 2.236 40 0 EEABRN COC(=O)c1ccc(NC(=O)[C@@H](C)n2ccnc2)c(OC(F)F)c1 ZINC000078918999 217147422 /nfs/dbraw/zinc/14/74/22/217147422.db2.gz TYTIWDBONNHOKO-SECBINFHSA-N 0 0 339.298 2.471 40 0 EEABRN Cc1nn(C)c(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1C ZINC000079049457 217182131 /nfs/dbraw/zinc/18/21/31/217182131.db2.gz YQPNQYIDAJCHFR-NSHDSACASA-N 0 0 334.807 2.447 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(-c2cnco2)cc1)C1CC1 ZINC000079094021 217190901 /nfs/dbraw/zinc/19/09/01/217190901.db2.gz CZDHCPZVKXIVFW-GFCCVEGCSA-N 0 0 348.424 2.379 40 0 EEABRN COc1ccc(CN(C)Cn2nc(C)c3c(C)onc3c2=O)cc1F ZINC000079336593 217211251 /nfs/dbraw/zinc/21/12/51/217211251.db2.gz HONOUGNVQFCHBN-UHFFFAOYSA-N 0 0 346.362 2.239 40 0 EEABRN Cc1cc(C)n(-c2cncc(N[C@@H](C)C(=O)N3CCCC[C@H]3C)n2)n1 ZINC000079353884 217213512 /nfs/dbraw/zinc/21/35/12/217213512.db2.gz MNCDOUNDVQYJNZ-HIFRSBDPSA-N 0 0 342.447 2.481 40 0 EEABRN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000080695628 217325783 /nfs/dbraw/zinc/32/57/83/217325783.db2.gz SREBVILWCRRFBV-STQMWFEESA-N 0 0 338.477 2.368 40 0 EEABRN C[C@@H]1CCc2ccccc2N1CCC(=O)NCc1nnc2n1CCC2 ZINC000081238251 217373728 /nfs/dbraw/zinc/37/37/28/217373728.db2.gz XRIWDOGCSHNZJS-CQSZACIVSA-N 0 0 339.443 2.072 40 0 EEABRN O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000081701263 217437019 /nfs/dbraw/zinc/43/70/19/217437019.db2.gz GUAHQAFQAMFEGG-UYAOXDASSA-N 0 0 333.391 2.189 40 0 EEABRN O=C1[C@@H](SCc2nnnn2C2CC2)CCCN1Cc1ccccc1 ZINC000089602585 217818323 /nfs/dbraw/zinc/81/83/23/217818323.db2.gz URTSXOLQDHGFQU-HNNXBMFYSA-N 0 0 343.456 2.432 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccnc3)n2)cc1 ZINC000012407177 211370783 /nfs/dbraw/zinc/37/07/83/211370783.db2.gz OTYVARVDKXTHQT-KRWDZBQOSA-N 0 0 348.410 2.348 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@](C)(CO)[C@]3(C)OC(C)(C)O[C@]3(C)[C@@]2(C)O1 ZINC000012359041 211356097 /nfs/dbraw/zinc/35/60/97/211356097.db2.gz CYMKALUCKAWBMD-HMDCTGQHSA-N 0 0 330.421 2.326 40 0 EEABRN O=C(C1CC1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O ZINC000012182779 211312451 /nfs/dbraw/zinc/31/24/51/211312451.db2.gz FSJXPSLBCDIMBK-CYBMUJFWSA-N 0 0 329.425 2.373 40 0 EEABRN Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@@H]3C)nc12 ZINC000012182064 211311582 /nfs/dbraw/zinc/31/15/82/211311582.db2.gz SVLFMBNOOZPXKQ-AWEZNQCLSA-N 0 0 338.411 2.359 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(O)(c2ccccn2)CC1 ZINC000012222003 211324106 /nfs/dbraw/zinc/32/41/06/211324106.db2.gz WSACHKCPNDTRPE-HOTGVXAUSA-N 0 0 331.460 2.155 40 0 EEABRN O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccc(O)c1)C2 ZINC000012120664 211299614 /nfs/dbraw/zinc/29/96/14/211299614.db2.gz FMQUPHBYCGHYGJ-UHFFFAOYSA-N 0 0 334.379 2.096 40 0 EEABRN Cc1cc(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)on1 ZINC000012146157 211306362 /nfs/dbraw/zinc/30/63/62/211306362.db2.gz ZRPIPGFIBWMLPD-UHFFFAOYSA-N 0 0 329.385 2.215 40 0 EEABRN COC(=O)c1cc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385595 218219516 /nfs/dbraw/zinc/21/95/16/218219516.db2.gz SOCQUQBMVCXGIK-MRXNPFEDSA-N 0 0 345.374 2.178 40 0 EEABRN O=C(c1nc2c(s1)CCCN2C(=O)c1ccncc1)N1CCCC1 ZINC000096264711 296302984 /nfs/dbraw/zinc/30/29/84/296302984.db2.gz BLHBHMYOQYOSET-UHFFFAOYSA-N 0 0 342.424 2.367 40 0 EEABRN Cc1nc(C(=O)Nc2nc(-c3cccn3C)cs2)c(=O)[nH]c1C ZINC000095449056 218392716 /nfs/dbraw/zinc/39/27/16/218392716.db2.gz JTZSQHJLAHFWHF-UHFFFAOYSA-N 0 0 329.385 2.101 40 0 EEABRN CCn1c(SCCc2csc(C)n2)nnc1N1CCOCC1 ZINC000095453246 218397139 /nfs/dbraw/zinc/39/71/39/218397139.db2.gz JVWNCZOPWXZHAC-UHFFFAOYSA-N 0 0 339.490 2.234 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)CCOc1ccccc1)C2 ZINC000096039218 218521267 /nfs/dbraw/zinc/52/12/67/218521267.db2.gz ZINYLGWPEDZWKI-MJGOQNOKSA-N 0 0 333.428 2.500 40 0 EEABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(C)=O)c3)nn12 ZINC000007387419 210791254 /nfs/dbraw/zinc/79/12/54/210791254.db2.gz XGZXMJZPNGOZKC-UHFFFAOYSA-N 0 0 346.441 2.248 40 0 EEABRN O=C(c1ccco1)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC000096071161 218569609 /nfs/dbraw/zinc/56/96/09/218569609.db2.gz MGGLJGXTICMVSP-UHFFFAOYSA-N 0 0 339.395 2.330 40 0 EEABRN Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)s1 ZINC000096181534 218643537 /nfs/dbraw/zinc/64/35/37/218643537.db2.gz WWEFUAJFJFTWPA-LSDHHAIUSA-N 0 0 345.424 2.297 40 0 EEABRN O=C(N[C@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1)C1CC=CC1 ZINC000096196619 218665233 /nfs/dbraw/zinc/66/52/33/218665233.db2.gz OAQWQLFKYXQPAS-SFHVURJKSA-N 0 0 349.434 2.231 40 0 EEABRN Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COCC3CCC3)C2)on1 ZINC000096207862 218682740 /nfs/dbraw/zinc/68/27/40/218682740.db2.gz ICSHIXXUQIOWTA-HNNXBMFYSA-N 0 0 344.415 2.268 40 0 EEABRN O=C(Cc1csc(-c2ccoc2)n1)NCCC(=O)N1CCCCC1 ZINC000096414296 218772361 /nfs/dbraw/zinc/77/23/61/218772361.db2.gz YXAVZOJFXUCPIH-UHFFFAOYSA-N 0 0 347.440 2.464 40 0 EEABRN C[C@H](CNC(=O)c1cncc(Br)c1)CC1(C)OCCO1 ZINC000096418662 218782047 /nfs/dbraw/zinc/78/20/47/218782047.db2.gz RSFJAYPNQKHCTI-JTQLQIEISA-N 0 0 343.221 2.363 40 0 EEABRN Cc1ccc(C(=O)OCC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 ZINC000096420375 218785074 /nfs/dbraw/zinc/78/50/74/218785074.db2.gz PXHJSTKMTVQEDV-UHFFFAOYSA-N 0 0 332.322 2.114 40 0 EEABRN CCS[C@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000096451483 218835197 /nfs/dbraw/zinc/83/51/97/218835197.db2.gz SQRFCJPGEHSQHC-HOCLYGCPSA-N 0 0 345.472 2.385 40 0 EEABRN CS[C@H]1CC[C@H](N(C)C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000096490263 218867783 /nfs/dbraw/zinc/86/77/83/218867783.db2.gz GJARUSUSZWMTIE-QWRGUYRKSA-N 0 0 337.470 2.421 40 0 EEABRN COc1ccc(Br)c(CC(=O)NCc2noc(C)n2)c1 ZINC000096481366 218856821 /nfs/dbraw/zinc/85/68/21/218856821.db2.gz JHEOAWGOOLFTDN-UHFFFAOYSA-N 0 0 340.177 2.008 40 0 EEABRN O=C(NCCCOC1CCCC1)N1CCC(O)(C(F)(F)F)CC1 ZINC000096491823 218869183 /nfs/dbraw/zinc/86/91/83/218869183.db2.gz VRCUGPNIRVWVAS-UHFFFAOYSA-N 0 0 338.370 2.435 40 0 EEABRN CCc1ccc([C@H]2COCCN2C(=O)Nc2c(C)ccn(C)c2=O)o1 ZINC000097099580 218952525 /nfs/dbraw/zinc/95/25/25/218952525.db2.gz VZBJDMZJKRTUGX-CQSZACIVSA-N 0 0 345.399 2.455 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000005022457 210365091 /nfs/dbraw/zinc/36/50/91/210365091.db2.gz KYDNJCDNCBBPRQ-LZLYRXPVSA-N 0 0 334.485 2.490 40 0 EEABRN CCOCCCNC(=S)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000004888603 210313707 /nfs/dbraw/zinc/31/37/07/210313707.db2.gz SOEYRHVCBYCYBS-UHFFFAOYSA-N 0 0 349.500 2.182 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2nnn(CC3CC3)c21 ZINC000096045618 285295129 /nfs/dbraw/zinc/29/51/29/285295129.db2.gz CIBPPZXSWPYMHB-AWEZNQCLSA-N 0 0 343.431 2.019 40 0 EEABRN Cc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408907761 257886561 /nfs/dbraw/zinc/88/65/61/257886561.db2.gz QVEGUIQYVPVVDB-HNNXBMFYSA-N 0 0 346.452 2.466 40 0 EEABRN COc1ncncc1NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000274315294 257995910 /nfs/dbraw/zinc/99/59/10/257995910.db2.gz XIBUUKQDPKYAHN-NSHDSACASA-N 0 0 336.392 2.071 40 0 EEABRN c1ccc(-n2nnnc2CCSc2nnnn2C2CCCC2)cc1 ZINC000330033032 258002077 /nfs/dbraw/zinc/00/20/77/258002077.db2.gz VRQCSRDEQWZTJE-UHFFFAOYSA-N 0 0 342.432 2.099 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NCc2ccccc2Cl)c1 ZINC000009991845 533487518 /nfs/dbraw/zinc/48/75/18/533487518.db2.gz IUCBRHKIBICLOC-UHFFFAOYSA-N 0 0 332.787 2.281 40 0 EEABRN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1Br ZINC000187571660 533541515 /nfs/dbraw/zinc/54/15/15/533541515.db2.gz JWKRYEZGSZGOIR-ZYHUDNBSSA-N 0 0 348.624 2.211 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc2c1OCCO2 ZINC000173491537 152171801 /nfs/dbraw/zinc/17/18/01/152171801.db2.gz KQCRPWCSJVAJBS-NSHDSACASA-N 0 0 329.400 2.169 40 0 EEABRN COc1nn(C)cc1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 ZINC000042379374 286578514 /nfs/dbraw/zinc/57/85/14/286578514.db2.gz PEFHBIQCRUZRBE-UHFFFAOYSA-N 0 0 335.433 2.379 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)no1 ZINC000195494652 262538306 /nfs/dbraw/zinc/53/83/06/262538306.db2.gz RTGWKPCZOVBDMV-YXJHDRRASA-N 0 0 348.491 2.042 40 0 EEABRN O=C(NCC[C@@H]1CCCCO1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000272685366 269008184 /nfs/dbraw/zinc/00/81/84/269008184.db2.gz UHWJWLDMOHALQL-JKSUJKDBSA-N 0 0 334.391 2.254 40 0 EEABRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279025989 269257237 /nfs/dbraw/zinc/25/72/37/269257237.db2.gz VMEDNNFUFAYWCL-GFCCVEGCSA-N 0 0 347.463 2.229 40 0 EEABRN CCN(CC)C(=O)C1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000077938740 276088858 /nfs/dbraw/zinc/08/88/58/276088858.db2.gz GPVFMHXDHKPXMV-UHFFFAOYSA-N 0 0 342.447 2.056 40 0 EEABRN CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000248046421 277004727 /nfs/dbraw/zinc/00/47/27/277004727.db2.gz MJUOXZZBGXZSDO-YOEHRIQHSA-N 0 0 344.440 2.048 40 0 EEABRN Cc1nc(CO[C@H]2CN(c3ncccn3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096040942 279085310 /nfs/dbraw/zinc/08/53/10/279085310.db2.gz NCGIBYJTRRRZNV-ILXRZTDVSA-N 0 0 332.429 2.195 40 0 EEABRN Cn1nc2c(cc1=O)C[C@@H](C(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000225741419 279400221 /nfs/dbraw/zinc/40/02/21/279400221.db2.gz RPAKEKPDJWMNRZ-KSSFIOAISA-N 0 0 337.423 2.079 40 0 EEABRN Cc1cccc(CO[C@H]2CSC3(CN(c4ncccn4)C3)C2)n1 ZINC000247870915 281219306 /nfs/dbraw/zinc/21/93/06/281219306.db2.gz KVUXENMAIBDKHP-OAHLLOKOSA-N 0 0 328.441 2.461 40 0 EEABRN CC1=C[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N2c2ccccc21 ZINC000104077499 281697919 /nfs/dbraw/zinc/69/79/19/281697919.db2.gz IJKCBAOIEJHMCO-JJXSEGSLSA-N 0 0 338.407 2.165 40 0 EEABRN C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C1CCOCC1 ZINC000253591219 289099449 /nfs/dbraw/zinc/09/94/49/289099449.db2.gz KTQNSOOFQUTXCK-CQSZACIVSA-N 0 0 346.475 2.040 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1F ZINC000072241641 289814037 /nfs/dbraw/zinc/81/40/37/289814037.db2.gz QWOALNAZKAEQEY-DLBZAZTESA-N 0 0 334.391 2.127 40 0 EEABRN CN1C[C@H](c2ccccc2)C2(CCN(C(=O)[C@H]3CCCO3)CC2)C1=O ZINC000096161380 290310108 /nfs/dbraw/zinc/31/01/08/290310108.db2.gz QCEOUTGVTNLEOF-IAGOWNOFSA-N 0 0 342.439 2.030 40 0 EEABRN CCn1cc(S(=O)(=O)NCc2ccn(C3CCCC3)n2)nc1C ZINC000329165168 311654222 /nfs/dbraw/zinc/65/42/22/311654222.db2.gz HCMKPSHPROHPHC-UHFFFAOYSA-N 0 0 337.449 2.002 40 0 EEABRN Cc1cc(C)n([C@@H](C)CC(=O)N2CCNC(=O)[C@@H]2c2cccs2)n1 ZINC000331441835 311853996 /nfs/dbraw/zinc/85/39/96/311853996.db2.gz LBXAAFMJPJNWBX-BBRMVZONSA-N 0 0 346.456 2.212 40 0 EEABRN CCc1oc2ccccc2c1CC(=O)NC[C@](C)(O)c1cnn(C)c1 ZINC000528705164 317454279 /nfs/dbraw/zinc/45/42/79/317454279.db2.gz NKWPGSUBMCHDGJ-IBGZPJMESA-N 0 0 341.411 2.295 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000097095294 323320505 /nfs/dbraw/zinc/32/05/05/323320505.db2.gz OKMBWSNOMRTTAQ-BXUZGUMPSA-N 0 0 346.349 2.387 40 0 EEABRN CN(C)C(=O)c1ccnc(NCc2cn(C)nc2-c2cccnc2)c1 ZINC000097102111 323320540 /nfs/dbraw/zinc/32/05/40/323320540.db2.gz UJVHKTHCXNUTIZ-UHFFFAOYSA-N 0 0 336.399 2.191 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCCCCC2)CCCC1 ZINC000097212903 323321290 /nfs/dbraw/zinc/32/12/90/323321290.db2.gz SLGBGXQGMDSPFF-UHFFFAOYSA-N 0 0 346.475 2.482 40 0 EEABRN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000194162166 323496569 /nfs/dbraw/zinc/49/65/69/323496569.db2.gz VLCQWQZBESPZPZ-BONVTDFDSA-N 0 0 335.379 2.261 40 0 EEABRN Cn1nc(-c2ccsc2)cc1NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329120495 465239767 /nfs/dbraw/zinc/23/97/67/465239767.db2.gz KFGZDOVRYLXTSO-VIFPVBQESA-N 0 0 328.401 2.010 40 0 EEABRN COc1cccc(NC(=O)COc2cc(Cl)ccc2C(N)=O)c1 ZINC000060169755 462539905 /nfs/dbraw/zinc/53/99/05/462539905.db2.gz UYDQGEOJEHJACE-UHFFFAOYSA-N 0 0 334.759 2.465 40 0 EEABRN Cc1c(Cl)cccc1Nc1ncccc1C(=O)OC[C@H](O)CO ZINC000000000171 462540061 /nfs/dbraw/zinc/54/00/61/462540061.db2.gz SWYJYGCPTGKBDS-LLVKDONJSA-N 0 0 336.775 2.297 40 0 in-man EEABRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C)CC2)c1 ZINC000060526149 462555108 /nfs/dbraw/zinc/55/51/08/462555108.db2.gz CSJMRHWKRYKLSL-UHFFFAOYSA-N 0 0 344.484 2.355 40 0 EEABRN CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003309173 462615892 /nfs/dbraw/zinc/61/58/92/462615892.db2.gz OBAHTIIBFLQXFY-ZDUSSCGKSA-N 0 0 344.864 2.408 40 0 EEABRN COC(=O)CCNC(=O)/C=C/c1ccc(OC)c(Br)c1 ZINC000062714520 462624054 /nfs/dbraw/zinc/62/40/54/462624054.db2.gz RZBHJTWQWSTASQ-GQCTYLIASA-N 0 0 342.189 2.150 40 0 EEABRN O=C(NCc1nccn1Cc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000074818073 462638610 /nfs/dbraw/zinc/63/86/10/462638610.db2.gz QLSBNCALGJSOSG-HOTGVXAUSA-N 0 0 328.416 2.034 40 0 EEABRN O=c1c2cnc(N3CCCC3)[nH]c-2cn1CCc1ccc(F)cc1 ZINC000046088068 462645479 /nfs/dbraw/zinc/64/54/79/462645479.db2.gz TZGXSWBTEOOQLP-UHFFFAOYSA-N 0 0 326.375 2.414 40 0 EEABRN O[C@@H]1OC[C@@H](COc2cc(Cl)c(Cl)cc2Cl)O[C@H]1O ZINC000005722638 462667159 /nfs/dbraw/zinc/66/71/59/462667159.db2.gz JGIHPWVJUMJHHI-ZFFXRTFHSA-N 0 0 329.563 2.078 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006324966 462683457 /nfs/dbraw/zinc/68/34/57/462683457.db2.gz GQZPHBRBKDDXDG-STQMWFEESA-N 0 0 342.461 2.155 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)s1 ZINC000075158162 462688916 /nfs/dbraw/zinc/68/89/16/462688916.db2.gz UVRWWCKPWAJGNF-HNNXBMFYSA-N 0 0 339.438 2.005 40 0 EEABRN Cc1ccc(NC(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1F ZINC000075166231 462690987 /nfs/dbraw/zinc/69/09/87/462690987.db2.gz AXHXTLWTVQRXKZ-UHFFFAOYSA-N 0 0 344.394 2.320 40 0 EEABRN Cc1ncn(CCNC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C ZINC000075166398 462691112 /nfs/dbraw/zinc/69/11/12/462691112.db2.gz QGNQOSUMUFGHEB-UHFFFAOYSA-N 0 0 338.770 2.474 40 0 EEABRN CCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000006648496 462694255 /nfs/dbraw/zinc/69/42/55/462694255.db2.gz LTUGEYZWRFJYMW-ZDUSSCGKSA-N 0 0 342.461 2.059 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C12CCC2 ZINC000075492551 462722430 /nfs/dbraw/zinc/72/24/30/462722430.db2.gz MHDFKVDWMVDTIL-KBPBESRZSA-N 0 0 327.384 2.001 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000008040662 462763606 /nfs/dbraw/zinc/76/36/06/462763606.db2.gz SBAMOLAVHBTICJ-CQSZACIVSA-N 0 0 326.462 2.456 40 0 EEABRN CC(C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008498102 462785832 /nfs/dbraw/zinc/78/58/32/462785832.db2.gz RFTYKRQWVOEKKF-UHFFFAOYSA-N 0 0 332.853 2.411 40 0 EEABRN CN(C)Cc1nc(C(C)(C)NC(=O)c2cc3ccccc3[nH]2)no1 ZINC000065757347 462824180 /nfs/dbraw/zinc/82/41/80/462824180.db2.gz LITBUISKLYCBKR-UHFFFAOYSA-N 0 0 327.388 2.278 40 0 EEABRN O=C(Cc1cccc(F)c1)NCCn1nc(-c2ccco2)ccc1=O ZINC000012158063 462845346 /nfs/dbraw/zinc/84/53/46/462845346.db2.gz WYDSWHWPANYXHX-UHFFFAOYSA-N 0 0 341.342 2.001 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)CN2c3ccccc3C3=NCCN3C2=O)C1 ZINC000012183010 462847583 /nfs/dbraw/zinc/84/75/83/462847583.db2.gz JOEUPBBDMRIFRG-OKILXGFUSA-N 0 0 340.427 2.193 40 0 EEABRN NC(=O)Nc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 ZINC000091211774 462855030 /nfs/dbraw/zinc/85/50/30/462855030.db2.gz ZXZGWXUWKVHVHS-UHFFFAOYSA-N 0 0 335.367 2.293 40 0 EEABRN O=C(c1ccccn1)N1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000013267758 462889224 /nfs/dbraw/zinc/88/92/24/462889224.db2.gz WBAYINVODWTTKH-UHFFFAOYSA-N 0 0 327.359 2.095 40 0 EEABRN CNC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013544354 462894533 /nfs/dbraw/zinc/89/45/33/462894533.db2.gz BLAVXPKJLAWLBD-UHFFFAOYSA-N 0 0 335.517 2.288 40 0 EEABRN COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000015272683 462945728 /nfs/dbraw/zinc/94/57/28/462945728.db2.gz CIAJEMITRXQOHA-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C)cc2)cc1 ZINC000016645051 462985803 /nfs/dbraw/zinc/98/58/03/462985803.db2.gz NMDPVPJRVTZPAM-UHFFFAOYSA-N 0 0 346.452 2.152 40 0 EEABRN C[C@H](O)[C@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000095449485 463087099 /nfs/dbraw/zinc/08/70/99/463087099.db2.gz CXGKNKOPJIILQQ-GJZGRUSLSA-N 0 0 342.443 2.064 40 0 EEABRN O=C(NC[C@@H]1CCOC1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000078611735 463133433 /nfs/dbraw/zinc/13/34/33/463133433.db2.gz DWDGAULDZMYPEN-NSHDSACASA-N 0 0 336.392 2.426 40 0 EEABRN Fc1cnc(N2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000096039998 463144712 /nfs/dbraw/zinc/14/47/12/463144712.db2.gz NIADIFOECOOPHY-AEFFLSMTSA-N 0 0 344.390 2.465 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042115 463146539 /nfs/dbraw/zinc/14/65/39/463146539.db2.gz YKTMCMKJVADHAI-OKZBNKHCSA-N 0 0 329.400 2.497 40 0 EEABRN O=C(C1CCCC1)N1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC000096041661 463146592 /nfs/dbraw/zinc/14/65/92/463146592.db2.gz XSWJINGVEUKSRT-RCCFBDPRSA-N 0 0 337.460 2.378 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 ZINC000096042412 463148243 /nfs/dbraw/zinc/14/82/43/463148243.db2.gz AGNRKSPMRFFSCE-NUJGCVRESA-N 0 0 349.427 2.403 40 0 EEABRN Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2nccs2)C3)nc1 ZINC000096048503 463152086 /nfs/dbraw/zinc/15/20/86/463152086.db2.gz NWGHCNJMFFIDLZ-XJKSGUPXSA-N 0 0 349.435 2.308 40 0 EEABRN O=C(c1ccncc1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050743 463154864 /nfs/dbraw/zinc/15/48/64/463154864.db2.gz RRFSTVDAJBXFPV-IBGZPJMESA-N 0 0 339.370 2.490 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1nccs1)c1ccco1 ZINC000096055380 463158518 /nfs/dbraw/zinc/15/85/18/463158518.db2.gz FGBDWEMQSSHFIW-HEHGZKQESA-N 0 0 347.440 2.146 40 0 EEABRN CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068619 463165991 /nfs/dbraw/zinc/16/59/91/463165991.db2.gz VMAWESUNTLAWML-AWEZNQCLSA-N 0 0 329.400 2.285 40 0 EEABRN c1csc(CN2CC[C@@]3(C[C@@H](OCc4cccnc4)CO3)C2)n1 ZINC000096072386 463167056 /nfs/dbraw/zinc/16/70/56/463167056.db2.gz GVYBBARLPLXVHB-NVXWUHKLSA-N 0 0 331.441 2.488 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)CC1CC1)C2 ZINC000096075072 463168936 /nfs/dbraw/zinc/16/89/36/463168936.db2.gz LIEJCMXBONLZCA-QFBILLFUSA-N 0 0 327.428 2.079 40 0 EEABRN CCO[C@@H]1CC2(CCN(C(=O)c3nc[nH]n3)CC2)c2ccccc21 ZINC000096079147 463169470 /nfs/dbraw/zinc/16/94/70/463169470.db2.gz RDYPPGJTYZPVAC-OAHLLOKOSA-N 0 0 326.400 2.460 40 0 EEABRN Cc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 ZINC000096112164 463179359 /nfs/dbraw/zinc/17/93/59/463179359.db2.gz XUZSZPBMXOGATR-ZBFHGGJFSA-N 0 0 341.390 2.400 40 0 biogenic,in-vitro EEABRN CN(C)S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000157867301 463180227 /nfs/dbraw/zinc/18/02/27/463180227.db2.gz UTBMJOCUKRQYCJ-QMMMGPOBSA-N 0 0 343.396 2.148 40 0 EEABRN Cc1cccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 ZINC000096121299 463181911 /nfs/dbraw/zinc/18/19/11/463181911.db2.gz UWVAGQZYFXMUPD-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN COCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C ZINC000096146294 463186177 /nfs/dbraw/zinc/18/61/77/463186177.db2.gz VFNNKFKCGGLTGC-UHFFFAOYSA-N 0 0 342.399 2.039 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000096181730 463194315 /nfs/dbraw/zinc/19/43/15/463194315.db2.gz ZDQRIWJJMHKVRV-DLBZAZTESA-N 0 0 343.358 2.066 40 0 EEABRN CCc1nnc(NC(=O)c2nnn(Cc3ccccc3)c2OC)s1 ZINC000096183440 463195764 /nfs/dbraw/zinc/19/57/64/463195764.db2.gz KINXUYSWNLQNJR-UHFFFAOYSA-N 0 0 344.400 2.001 40 0 EEABRN Cc1nc(COC[C@@H]2Cn3nccc3CN([C@@H]3CCOC3)C2)cs1 ZINC000096189166 463200618 /nfs/dbraw/zinc/20/06/18/463200618.db2.gz WPPPUARNUCANRV-WMLDXEAASA-N 0 0 348.472 2.086 40 0 EEABRN CC(C)NC(=O)N1CCc2ncc(CN(C)Cc3ccco3)n2CC1 ZINC000096197098 463203087 /nfs/dbraw/zinc/20/30/87/463203087.db2.gz XHKLTOWCAPCPND-UHFFFAOYSA-N 0 0 345.447 2.084 40 0 EEABRN c1csc(CN2CCc3ncc(CNc4ccccn4)n3CC2)n1 ZINC000096197105 463203266 /nfs/dbraw/zinc/20/32/66/463203266.db2.gz HCDBQISFKGZZKW-UHFFFAOYSA-N 0 0 340.456 2.405 40 0 EEABRN c1c(CNc2ccccn2)nc2n1CCN(CC1CCOCC1)C2 ZINC000096197518 463203597 /nfs/dbraw/zinc/20/35/97/463203597.db2.gz HCJDDDIOROQKRQ-UHFFFAOYSA-N 0 0 327.432 2.132 40 0 EEABRN CCn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)c1cc(C)on1)C2 ZINC000096198114 463204106 /nfs/dbraw/zinc/20/41/06/463204106.db2.gz CMECWONOOGMQOQ-OAHLLOKOSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccc(OCCNC(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000054306357 463224912 /nfs/dbraw/zinc/22/49/12/463224912.db2.gz KOKPRHZPOOTMJB-UHFFFAOYSA-N 0 0 339.395 2.333 40 0 EEABRN CN(C)c1nc(N2CCCC2)nc2c1CN(Cc1ccncc1)CC2 ZINC000096253972 463228162 /nfs/dbraw/zinc/22/81/62/463228162.db2.gz LGAAMCHPSAOQTK-UHFFFAOYSA-N 0 0 338.459 2.096 40 0 EEABRN O=C(c1ccco1)N1CCc2onc(COc3ccccn3)c2C1 ZINC000096260023 463230285 /nfs/dbraw/zinc/23/02/85/463230285.db2.gz DZFSDIFTBQZOCT-UHFFFAOYSA-N 0 0 325.324 2.440 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261648 463231234 /nfs/dbraw/zinc/23/12/34/463231234.db2.gz RZRCDIPXXADWNA-ZRGWGRIASA-N 0 0 346.475 2.246 40 0 EEABRN CC(C)(C)OC(=O)NC1(c2noc([C@@H]3COCCO3)n2)CCC1 ZINC000096405333 463239219 /nfs/dbraw/zinc/23/92/19/463239219.db2.gz CARRVFQWAXVDRN-JTQLQIEISA-N 0 0 325.365 2.061 40 0 EEABRN Cc1nnc2ccc(NC[C@@H](O)c3cccc(OC(C)C)c3)nn12 ZINC000096408686 463241727 /nfs/dbraw/zinc/24/17/27/463241727.db2.gz YWMMKNNSDOOPLK-OAHLLOKOSA-N 0 0 327.388 2.365 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)c1 ZINC000096409276 463242537 /nfs/dbraw/zinc/24/25/37/463242537.db2.gz ZHFCWYRVBKUVHF-CQSZACIVSA-N 0 0 341.411 2.091 40 0 EEABRN COCCOCCC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000096409316 463242613 /nfs/dbraw/zinc/24/26/13/463242613.db2.gz VFOUSTABRYDRMA-INIZCTEOSA-N 0 0 338.423 2.272 40 0 EEABRN CC(C)(C)[S@](=O)CCNC(=O)NCc1cccc(-n2cccn2)c1 ZINC000096409647 463242948 /nfs/dbraw/zinc/24/29/48/463242948.db2.gz OYRLRDKQFSLOQJ-DEOSSOPVSA-N 0 0 348.472 2.219 40 0 EEABRN O=C(NC1CC1)c1ccc(O[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000096410876 463243782 /nfs/dbraw/zinc/24/37/82/463243782.db2.gz LDOGUIIHKXJCSK-ZDUSSCGKSA-N 0 0 342.317 2.121 40 0 EEABRN C[S@](=O)c1cccc(NC(=O)C(=O)NC2(c3ccccc3)CC2)c1 ZINC000096413495 463245834 /nfs/dbraw/zinc/24/58/34/463245834.db2.gz CDSPSJRKLPTVKW-XMMPIXPASA-N 0 0 342.420 2.168 40 0 EEABRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc(Cl)ccn1 ZINC000096414545 463247171 /nfs/dbraw/zinc/24/71/71/463247171.db2.gz AEPZWBWAVPKQJC-UHFFFAOYSA-N 0 0 345.712 2.386 40 0 EEABRN C[C@@H](Cn1ccnc1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416898 463249256 /nfs/dbraw/zinc/24/92/56/463249256.db2.gz YCPCZZRGZWHZKP-JTQLQIEISA-N 0 0 328.294 2.038 40 0 EEABRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1ccco1 ZINC000096418176 463250841 /nfs/dbraw/zinc/25/08/41/463250841.db2.gz CTMZMEWVWVLTBW-UHFFFAOYSA-N 0 0 329.324 2.135 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000096420858 463251561 /nfs/dbraw/zinc/25/15/61/463251561.db2.gz FZINJZCAHQWIBX-HNNXBMFYSA-N 0 0 349.479 2.158 40 0 EEABRN CCCNC(=O)c1cccc(C(=O)NC[C@H](O)Cc2ccccc2)c1 ZINC000096421700 463252519 /nfs/dbraw/zinc/25/25/19/463252519.db2.gz NEAGHGHFQKXXEP-GOSISDBHSA-N 0 0 340.423 2.160 40 0 EEABRN CC(=O)N[C@@H](CC(=O)NCc1ccc(C)n1C)c1ccc(F)cc1F ZINC000096423559 463253615 /nfs/dbraw/zinc/25/36/15/463253615.db2.gz USGWJLGIQXIYON-KRWDZBQOSA-N 0 0 349.381 2.495 40 0 EEABRN Cc1ccc(N2CC[C@H](N3CCC4(CC3)OC[C@H](C)O4)C2=O)cc1 ZINC000096424478 463255243 /nfs/dbraw/zinc/25/52/43/463255243.db2.gz VUGIUMVEZBTXCR-RDJZCZTQSA-N 0 0 330.428 2.328 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)cc1 ZINC000096427765 463256990 /nfs/dbraw/zinc/25/69/90/463256990.db2.gz NXMODOIGNIIKKM-HNNXBMFYSA-N 0 0 344.436 2.288 40 0 EEABRN Cc1ccc(CNS(=O)(=O)c2cnn(-c3ccccc3F)c2)cn1 ZINC000096427740 463257362 /nfs/dbraw/zinc/25/73/62/463257362.db2.gz INWFMFDTHYUQOU-UHFFFAOYSA-N 0 0 346.387 2.193 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cc(F)ccc1C ZINC000096428427 463258317 /nfs/dbraw/zinc/25/83/17/463258317.db2.gz OQISRXKMWBGYAG-NSHDSACASA-N 0 0 339.436 2.394 40 0 EEABRN c1ccc(Cc2nnc(CSCc3nnnn3C3CC3)o2)cc1 ZINC000096433411 463261876 /nfs/dbraw/zinc/26/18/76/463261876.db2.gz OOSPAKROIIYXQP-UHFFFAOYSA-N 0 0 328.401 2.415 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3CCC[C@H]3O)cn2)n1 ZINC000096434059 463262379 /nfs/dbraw/zinc/26/23/79/463262379.db2.gz HSKLSSYZBFCJLA-DZGCQCFKSA-N 0 0 329.404 2.167 40 0 EEABRN Cn1ccnc1N1CCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000096436917 463264412 /nfs/dbraw/zinc/26/44/12/463264412.db2.gz AJOBCBGZVOYILZ-UHFFFAOYSA-N 0 0 340.427 2.171 40 0 EEABRN CSC[C@@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437104 463264545 /nfs/dbraw/zinc/26/45/45/463264545.db2.gz KGSAWFRZWHJXFE-RDDDGLTNSA-N 0 0 335.242 2.456 40 0 EEABRN NC(=O)[C@@H](NCc1ccco1)c1ccc(Br)cc1F ZINC000096436801 463265250 /nfs/dbraw/zinc/26/52/50/463265250.db2.gz LBKYZOJDHCVDBL-LBPRGKRZSA-N 0 0 327.153 2.497 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000096439832 463265831 /nfs/dbraw/zinc/26/58/31/463265831.db2.gz HIZASNBKPUTNTK-GJZGRUSLSA-N 0 0 345.472 2.490 40 0 EEABRN CSc1ccc(CNC(=O)N2CCN(Cc3ccon3)CC2)cc1 ZINC000096439415 463265862 /nfs/dbraw/zinc/26/58/62/463265862.db2.gz FBRPTGVLVVPSGU-UHFFFAOYSA-N 0 0 346.456 2.424 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)c3ccc[nH]c3=S)CC2)n1 ZINC000096441291 463266714 /nfs/dbraw/zinc/26/67/14/463266714.db2.gz JYQGSDANZKICNN-UHFFFAOYSA-N 0 0 349.485 2.137 40 0 EEABRN Cc1ccc(CCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)o1 ZINC000096445247 463269826 /nfs/dbraw/zinc/26/98/26/463269826.db2.gz SBLSMEQDRJTGRE-UHFFFAOYSA-N 0 0 341.411 2.337 40 0 EEABRN O=C(c1nn(-c2ccccc2)c2c1CCCCC2)N1CC[C@@H](O)C1 ZINC000096445577 463270017 /nfs/dbraw/zinc/27/00/17/463270017.db2.gz WSBVVXGKFHOBDA-OAHLLOKOSA-N 0 0 325.412 2.348 40 0 EEABRN Cc1nnc(CN(C)C(=O)c2ccc(C)c(Br)c2)n1C ZINC000096446309 463270860 /nfs/dbraw/zinc/27/08/60/463270860.db2.gz NIYKREMGKIUBPJ-UHFFFAOYSA-N 0 0 337.221 2.467 40 0 EEABRN CN(C(=O)CSCC(N)=O)C1c2ccccc2-c2ccccc21 ZINC000096448348 463271805 /nfs/dbraw/zinc/27/18/05/463271805.db2.gz VMNTYUXEWVOPGF-UHFFFAOYSA-N 0 0 326.421 2.433 40 0 EEABRN Cc1ccc(=O)n(CC(=O)Nc2cc(Cc3ccccc3)ccc2O)n1 ZINC000096448359 463272352 /nfs/dbraw/zinc/27/23/52/463272352.db2.gz AAFKWPXYHMLAAQ-UHFFFAOYSA-N 0 0 349.390 2.487 40 0 EEABRN CNS(=O)(=O)CC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000096459691 463276561 /nfs/dbraw/zinc/27/65/61/463276561.db2.gz DETGAJCGDKGQST-UHFFFAOYSA-N 0 0 344.864 2.160 40 0 EEABRN CC(C)N(C(=O)c1ccc(-n2cncn2)c(F)c1)C1CCOCC1 ZINC000096468652 463277507 /nfs/dbraw/zinc/27/75/07/463277507.db2.gz UORNCUURWITKHY-UHFFFAOYSA-N 0 0 332.379 2.436 40 0 EEABRN COC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000096476445 463280442 /nfs/dbraw/zinc/28/04/42/463280442.db2.gz KIOLUVVLHDWVTA-IUCAKERBSA-N 0 0 346.196 2.445 40 0 EEABRN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCOC1 ZINC000096483722 463283050 /nfs/dbraw/zinc/28/30/50/463283050.db2.gz RQSQQQQXRDXPKH-ZWNOBZJWSA-N 0 0 327.222 2.468 40 0 EEABRN O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)N1CCC2(CCC2)C1 ZINC000096485665 463284216 /nfs/dbraw/zinc/28/42/16/463284216.db2.gz UAZLIZPZSCBDHV-UHFFFAOYSA-N 0 0 327.306 2.442 40 0 EEABRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCS(=O)(=O)N(C)C)o1 ZINC000096487399 463285469 /nfs/dbraw/zinc/28/54/69/463285469.db2.gz FFOVJCFPMKTQHX-GXTWGEPZSA-N 0 0 342.461 2.169 40 0 EEABRN COc1ccccc1CNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000096658913 463294788 /nfs/dbraw/zinc/29/47/88/463294788.db2.gz SXJZAXFJIOCRCD-UHFFFAOYSA-N 0 0 348.424 2.156 40 0 EEABRN CN(C)C(=O)CN1CCC(Nc2nc(-c3ccccc3)ns2)CC1 ZINC000097096782 463323083 /nfs/dbraw/zinc/32/30/83/463323083.db2.gz SYTZGMJGVQNBEQ-UHFFFAOYSA-N 0 0 345.472 2.170 40 0 EEABRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)NC1Cc2ccccc2C1 ZINC000097377564 463356153 /nfs/dbraw/zinc/35/61/53/463356153.db2.gz RWKGKLJYMKXEAQ-KRWDZBQOSA-N 0 0 326.400 2.351 40 0 EEABRN CC[C@H](NC(=O)NCc1c(C)nn(C)c1OC)c1c(C)nn(C)c1C ZINC000097377843 463356959 /nfs/dbraw/zinc/35/69/59/463356959.db2.gz SHCFDVIWRIFXOZ-AWEZNQCLSA-N 0 0 348.451 2.038 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)nc12 ZINC000097378433 463357686 /nfs/dbraw/zinc/35/76/86/463357686.db2.gz SGTJVLHQNQQVNM-WBVHZDCISA-N 0 0 342.443 2.442 40 0 EEABRN O=C(NCc1cccc(-c2nc[nH]n2)c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000097378843 463358290 /nfs/dbraw/zinc/35/82/90/463358290.db2.gz LLDCZUJFXMBWTB-HZPDHXFCSA-N 0 0 341.415 2.229 40 0 EEABRN CN(Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097181 463394940 /nfs/dbraw/zinc/39/49/40/463394940.db2.gz QOFMOKXKSYQMFW-SJORKVTESA-N 0 0 348.472 2.055 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc(CC(C)C)no3)C2)n1 ZINC000041123229 463467904 /nfs/dbraw/zinc/46/79/04/463467904.db2.gz DAADTFOPCSUFKJ-OAHLLOKOSA-N 0 0 345.447 2.488 40 0 EEABRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N(C)CCN(C)c1ccccc1 ZINC000081688715 463481232 /nfs/dbraw/zinc/48/12/32/463481232.db2.gz ODGKKHLXFJNURA-UHFFFAOYSA-N 0 0 342.443 2.410 40 0 EEABRN Cc1cc2[nH]c(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2c(C)c1 ZINC000057536188 463499375 /nfs/dbraw/zinc/49/93/75/463499375.db2.gz SCJJULXKHACFCO-UHFFFAOYSA-N 0 0 325.412 2.479 40 0 EEABRN Cn1ccnc1-c1cnc(N2CCC[C@H](O)C2)nc1-c1ccco1 ZINC000072340771 463509751 /nfs/dbraw/zinc/50/97/51/463509751.db2.gz DRSJWOXGDVAWDU-LBPRGKRZSA-N 0 0 325.372 2.098 40 0 EEABRN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000162619064 463525235 /nfs/dbraw/zinc/52/52/35/463525235.db2.gz DQIKGZOEXFQOJC-CVEARBPZSA-N 0 0 328.416 2.479 40 0 EEABRN Cc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000058162322 463546728 /nfs/dbraw/zinc/54/67/28/463546728.db2.gz ICXVBANWBMIQQY-HNNXBMFYSA-N 0 0 341.411 2.373 40 0 EEABRN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(-c3ccccc3)n1)CS2 ZINC000043054643 463615030 /nfs/dbraw/zinc/61/50/30/463615030.db2.gz WEWSXGPOEDFRLO-DYVFJYSZSA-N 0 0 342.424 2.265 40 0 EEABRN C[C@H]1Oc2ccc(NC(=O)NCCc3ccccn3)cc2NC1=O ZINC000043872989 463660952 /nfs/dbraw/zinc/66/09/52/463660952.db2.gz BKSJUBDJLVXMQF-LLVKDONJSA-N 0 0 326.356 2.165 40 0 EEABRN O=S(=O)(NCC1(O)CCCC1)c1ccccc1Br ZINC000044448529 463679107 /nfs/dbraw/zinc/67/91/07/463679107.db2.gz PCLMOVDLGUYWRZ-UHFFFAOYSA-N 0 0 334.235 2.033 40 0 EEABRN COc1ccc(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000044846425 463695387 /nfs/dbraw/zinc/69/53/87/463695387.db2.gz VSAMHNIEWZDHMG-UHFFFAOYSA-N 0 0 325.368 2.067 40 0 EEABRN Cn1ccnc1[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccccc1 ZINC000044890762 463698364 /nfs/dbraw/zinc/69/83/64/463698364.db2.gz KBSVBLPIZMKOOZ-INIZCTEOSA-N 0 0 332.367 2.211 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)n1 ZINC000257285145 463761983 /nfs/dbraw/zinc/76/19/83/463761983.db2.gz PFWBSZYQWKVQFO-CYBMUJFWSA-N 0 0 331.420 2.013 40 0 EEABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257288405 463763376 /nfs/dbraw/zinc/76/33/76/463763376.db2.gz PUBCDORDXHIQFA-OAHLLOKOSA-N 0 0 336.399 2.319 40 0 EEABRN Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000257291774 463764699 /nfs/dbraw/zinc/76/46/99/463764699.db2.gz QIOKVLWOTYACSI-HNNXBMFYSA-N 0 0 348.410 2.292 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)COc3cccnc3)C2)ccn1 ZINC000257296890 463766582 /nfs/dbraw/zinc/76/65/82/463766582.db2.gz REWQBRJGGAMLFK-HNNXBMFYSA-N 0 0 326.400 2.303 40 0 EEABRN CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)C1CCCC1 ZINC000257295902 463766844 /nfs/dbraw/zinc/76/68/44/463766844.db2.gz RAIRLNBRSFFREU-GOSISDBHSA-N 0 0 335.423 2.201 40 0 EEABRN Cc1cc(N(C)C)cc([C@H]2CN(Cc3cnc(C)nc3)CCO2)n1 ZINC000257302206 463768563 /nfs/dbraw/zinc/76/85/63/463768563.db2.gz SBYLACKOHTTYKK-GOSISDBHSA-N 0 0 327.432 2.128 40 0 EEABRN CCC(=O)N1CCC(Cc2cncc(-c3cnc(C)n3C)n2)CC1 ZINC000257309172 463771583 /nfs/dbraw/zinc/77/15/83/463771583.db2.gz TZVNIEBOFHNQRN-UHFFFAOYSA-N 0 0 327.432 2.377 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3ccnc(C)n3)CCN2C(C)=O)cc1 ZINC000257310360 463772039 /nfs/dbraw/zinc/77/20/39/463772039.db2.gz UETWZOWTTDMEOK-IBGZPJMESA-N 0 0 340.427 2.199 40 0 EEABRN CC(C)Cc1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)on1 ZINC000257320268 463775839 /nfs/dbraw/zinc/77/58/39/463775839.db2.gz VVZJCSZQVXTNEW-ZDUSSCGKSA-N 0 0 344.415 2.487 40 0 EEABRN CCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000257330597 463781419 /nfs/dbraw/zinc/78/14/19/463781419.db2.gz XPASFUGUUNGNJX-BRWVUGGUSA-N 0 0 330.384 2.280 40 0 EEABRN CCOCC(=O)N1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1 ZINC000257337239 463784418 /nfs/dbraw/zinc/78/44/18/463784418.db2.gz YRZJUYIFRPSYHB-QGZVFWFLSA-N 0 0 332.444 2.309 40 0 EEABRN O=C(CC1CCC1)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257341335 463786464 /nfs/dbraw/zinc/78/64/64/463786464.db2.gz ZJXNEOHJOHRXCK-IBGZPJMESA-N 0 0 342.443 2.107 40 0 EEABRN C[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000185486444 463831071 /nfs/dbraw/zinc/83/10/71/463831071.db2.gz MCKJLNNZRVHELH-OAGGEKHMSA-N 0 0 341.459 2.422 40 0 EEABRN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1nccn1C ZINC000186297079 463971637 /nfs/dbraw/zinc/97/16/37/463971637.db2.gz RGKOPRMUIJAGQC-AWEZNQCLSA-N 0 0 348.472 2.153 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000186559888 464021426 /nfs/dbraw/zinc/02/14/26/464021426.db2.gz QHIGCADVXVLVSW-IBGZPJMESA-N 0 0 346.471 2.464 40 0 EEABRN CN(C(=O)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC000263150006 464059392 /nfs/dbraw/zinc/05/93/92/464059392.db2.gz NOUICKXQPONWKQ-LPHOPBHVSA-N 0 0 330.428 2.319 40 0 EEABRN O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000195530283 464072005 /nfs/dbraw/zinc/07/20/05/464072005.db2.gz XIMFDVDTZZMGRC-MJBXVCDLSA-N 0 0 327.833 2.137 40 0 EEABRN C[C@@H]1C[C@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC(=O)N1 ZINC000195556784 464075543 /nfs/dbraw/zinc/07/55/43/464075543.db2.gz UYQWVAHHVBDNOD-KGLIPLIRSA-N 0 0 332.444 2.394 40 0 EEABRN Cc1cnc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1 ZINC000220763800 464119464 /nfs/dbraw/zinc/11/94/64/464119464.db2.gz OQAJSSMGUYFRSY-LBPRGKRZSA-N 0 0 327.388 2.140 40 0 EEABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222758647 464133925 /nfs/dbraw/zinc/13/39/25/464133925.db2.gz QVGBNPVWDUWNSU-DOTOQJQBSA-N 0 0 332.444 2.355 40 0 EEABRN CNC(=O)CCCC(=O)N1Cc2ccc(Br)cc2C1 ZINC000225443175 464159842 /nfs/dbraw/zinc/15/98/42/464159842.db2.gz FTWDTPXLPCGASY-UHFFFAOYSA-N 0 0 325.206 2.208 40 0 EEABRN CCn1c(C)nnc1CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000225574544 464173741 /nfs/dbraw/zinc/17/37/41/464173741.db2.gz AFSMFKQDCFMOLN-UHFFFAOYSA-N 0 0 349.391 2.110 40 0 EEABRN Cc1noc([C@@H]2CCCN(C(=O)NCc3nccn3CC(C)C)C2)n1 ZINC000173446488 464262175 /nfs/dbraw/zinc/26/21/75/464262175.db2.gz OZXKZPHHEXHZNE-CQSZACIVSA-N 0 0 346.435 2.320 40 0 EEABRN Cc1noc([C@H]2CCCN(C(=O)NCc3nccn3CC(C)C)C2)n1 ZINC000173446506 464262687 /nfs/dbraw/zinc/26/26/87/464262687.db2.gz OZXKZPHHEXHZNE-AWEZNQCLSA-N 0 0 346.435 2.320 40 0 EEABRN CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000189104871 464434055 /nfs/dbraw/zinc/43/40/55/464434055.db2.gz XTZWVJSKYHGKRV-UHFFFAOYSA-N 0 0 327.384 2.252 40 0 EEABRN CCN1CC[C@H](NS(=O)(=O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000239351877 464441799 /nfs/dbraw/zinc/44/17/99/464441799.db2.gz AAGQPRJGKOLKTB-ZFWWWQNUSA-N 0 0 348.390 2.321 40 0 EEABRN CCN1CC[C@@H](NS(=O)(=O)C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000239351875 464442261 /nfs/dbraw/zinc/44/22/61/464442261.db2.gz AAGQPRJGKOLKTB-HIFRSBDPSA-N 0 0 348.390 2.321 40 0 EEABRN Cn1ccnc1N1CCC(Nc2ncncc2Br)CC1 ZINC000240471610 464446830 /nfs/dbraw/zinc/44/68/30/464446830.db2.gz GDDNPGGOODEYIU-UHFFFAOYSA-N 0 0 337.225 2.054 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000189525985 464524681 /nfs/dbraw/zinc/52/46/81/464524681.db2.gz XKYYLHZUDDLMBH-CHWSQXEVSA-N 0 0 338.452 2.336 40 0 EEABRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc(Cl)cn1 ZINC000189783396 464549009 /nfs/dbraw/zinc/54/90/09/464549009.db2.gz JXCXQKWQESYBRV-UHFFFAOYSA-N 0 0 327.775 2.493 40 0 EEABRN Cc1cncc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000190012209 464586011 /nfs/dbraw/zinc/58/60/11/464586011.db2.gz DXFZDDWKJHIZCI-KRWDZBQOSA-N 0 0 337.489 2.216 40 0 EEABRN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)CC2 ZINC000190576749 464680816 /nfs/dbraw/zinc/68/08/16/464680816.db2.gz CFQJUBLMDSBDJA-CYBMUJFWSA-N 0 0 349.479 2.315 40 0 EEABRN Fc1cccnc1O[C@@H]1CCOC2(CN(Cc3ccncc3)C2)C1 ZINC000247521270 464690575 /nfs/dbraw/zinc/69/05/75/464690575.db2.gz LPZPWYHNKYEHEN-OAHLLOKOSA-N 0 0 329.375 2.428 40 0 EEABRN O=C(c1cscn1)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC000247846210 464709590 /nfs/dbraw/zinc/70/95/90/464709590.db2.gz HDIIIHUVKYIQGC-UHFFFAOYSA-N 0 0 341.436 2.238 40 0 EEABRN Cc1cccc(CN2CC3(C2)CC[C@H](CN2CCCCC2=O)CO3)n1 ZINC000247874922 464711841 /nfs/dbraw/zinc/71/18/41/464711841.db2.gz NQPGUPNSIPEJAH-QGZVFWFLSA-N 0 0 343.471 2.384 40 0 EEABRN CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000190769287 464718156 /nfs/dbraw/zinc/71/81/56/464718156.db2.gz VNRAYEFEVGCICP-INIZCTEOSA-N 0 0 340.427 2.465 40 0 EEABRN Cc1ncc(CN2CCN(Cc3ncnn3CC(C)C)CC2)s1 ZINC000182749975 464722182 /nfs/dbraw/zinc/72/21/82/464722182.db2.gz HULMHUARTGWYGS-UHFFFAOYSA-N 0 0 334.493 2.017 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)NC3CCC3)C2)o1 ZINC000248033870 464725768 /nfs/dbraw/zinc/72/57/68/464725768.db2.gz MGWANOKAWVRHOD-OAHLLOKOSA-N 0 0 328.416 2.090 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)cn1 ZINC000248104562 464728915 /nfs/dbraw/zinc/72/89/15/464728915.db2.gz ORUAVDMIZGFXLA-MRXNPFEDSA-N 0 0 339.395 2.095 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)cn1 ZINC000248104558 464728946 /nfs/dbraw/zinc/72/89/46/464728946.db2.gz ORUAVDMIZGFXLA-INIZCTEOSA-N 0 0 339.395 2.095 40 0 EEABRN [NH3+][C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000569001948 468422562 /nfs/dbraw/zinc/42/25/62/468422562.db2.gz QIOGPYSRIMPETL-DLBZAZTESA-N 0 0 342.370 2.481 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCCCN(C)CC(F)(F)F ZINC000191115308 464779873 /nfs/dbraw/zinc/77/98/73/464779873.db2.gz NSTKZOYHHCWUGJ-LLVKDONJSA-N 0 0 327.416 2.408 40 0 EEABRN CO[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000191237466 464804138 /nfs/dbraw/zinc/80/41/38/464804138.db2.gz KMVPOYSLXAMEKY-DLBZAZTESA-N 0 0 328.416 2.298 40 0 EEABRN C[C@@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC000191686736 464824523 /nfs/dbraw/zinc/82/45/23/464824523.db2.gz OJRRJEVSPZMMAH-KRTXAFLBSA-N 0 0 339.754 2.477 40 0 EEABRN O=C(c1ccco1)N1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000192493279 464936275 /nfs/dbraw/zinc/93/62/75/464936275.db2.gz ZNZLMGRCSIOBBZ-UHFFFAOYSA-N 0 0 325.368 2.220 40 0 EEABRN CCc1oncc1C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000252482940 464962125 /nfs/dbraw/zinc/96/21/25/464962125.db2.gz DQPMJFDJXHMRMA-OAHLLOKOSA-N 0 0 342.443 2.178 40 0 EEABRN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H](O)CC1CCCCC1 ZINC000252489427 464966537 /nfs/dbraw/zinc/96/65/37/464966537.db2.gz JQYNCFQIEQMOJW-KRWDZBQOSA-N 0 0 328.416 2.215 40 0 EEABRN COCCOC1CCN(C(=O)c2cc3cc(Cl)ccn3n2)CC1 ZINC000252505119 464973415 /nfs/dbraw/zinc/97/34/15/464973415.db2.gz VORAXYGJQNLTEG-UHFFFAOYSA-N 0 0 337.807 2.255 40 0 EEABRN CCOC(=O)C[C@H](O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000252508211 464975867 /nfs/dbraw/zinc/97/58/67/464975867.db2.gz XGQLTTARBUPBAN-INIZCTEOSA-N 0 0 334.416 2.320 40 0 EEABRN C[C@H](C[S@](C)=O)N(C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192776511 464994713 /nfs/dbraw/zinc/99/47/13/464994713.db2.gz GPSHNAMNXXLFIK-SIMDFCGZSA-N 0 0 326.437 2.020 40 0 EEABRN Cc1c2ccccc2oc1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000253394540 464999547 /nfs/dbraw/zinc/99/95/47/464999547.db2.gz HWOMAMJCAHSNHD-GFCCVEGCSA-N 0 0 336.413 2.070 40 0 EEABRN CC[C@](O)(C(=O)N[C@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000253397578 465000545 /nfs/dbraw/zinc/00/05/45/465000545.db2.gz XLUHADBIYYSNLK-HLLBOEOZSA-N 0 0 341.835 2.248 40 0 EEABRN O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2cccc3ccccc32)n1 ZINC000253401554 465002196 /nfs/dbraw/zinc/00/21/96/465002196.db2.gz NGIXILPOHDFBIV-WJFTUGDTSA-N 0 0 349.390 2.236 40 0 biogenic,in-vitro EEABRN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccnn1-c1ccccc1 ZINC000253419859 465007398 /nfs/dbraw/zinc/00/73/98/465007398.db2.gz DCEJKPLHNYVNCY-HNNXBMFYSA-N 0 0 348.410 2.061 40 0 EEABRN Cc1ccoc1C(=O)N1Cc2cncn2[C@@H](COc2ccccn2)C1 ZINC000253478099 465016348 /nfs/dbraw/zinc/01/63/48/465016348.db2.gz JDILYWQCQJFJHA-OAHLLOKOSA-N 0 0 338.367 2.456 40 0 EEABRN CCOc1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000363453843 466415592 /nfs/dbraw/zinc/41/55/92/466415592.db2.gz DNJWUAZVWJVWJC-GFCCVEGCSA-N 0 0 345.399 2.277 40 0 EEABRN C[N@@H+](Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3cocn3)C2)OC1 ZINC000306125321 466487248 /nfs/dbraw/zinc/48/72/48/466487248.db2.gz CMNIXRGHOLUCQC-CQSZACIVSA-N 0 0 345.399 2.021 40 0 EEABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000408587545 466682026 /nfs/dbraw/zinc/68/20/26/466682026.db2.gz DVQAXIBMHVUTML-LBPRGKRZSA-N 0 0 342.461 2.055 40 0 EEABRN CCOc1cc(C(=O)NC)cc(I)c1OCC ZINC000409376899 466687825 /nfs/dbraw/zinc/68/78/25/466687825.db2.gz BQWUAOGZRKVHTM-UHFFFAOYSA-N 0 0 349.168 2.448 40 0 EEABRN O=C(C1CCC1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575403569 468141401 /nfs/dbraw/zinc/14/14/01/468141401.db2.gz HFEFTXGKTRYRRT-SZMVWBNQSA-N 0 0 330.428 2.262 40 0 EEABRN O=C(C1CCC1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575405195 468141720 /nfs/dbraw/zinc/14/17/20/468141720.db2.gz WYLGOKIVBFXOES-OAHLLOKOSA-N 0 0 325.474 2.316 40 0 EEABRN C[C@@]1(NC(=S)Nc2ccc3ncccc3c2)CCS(=O)(=O)C1 ZINC000575422354 468144035 /nfs/dbraw/zinc/14/40/35/468144035.db2.gz BKDYBZKUYHJHFV-OAHLLOKOSA-N 0 0 335.454 2.098 40 0 EEABRN Cc1cc(F)ccc1C(=O)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093082 468962361 /nfs/dbraw/zinc/96/23/61/468962361.db2.gz ANHOZWRAJLNNPQ-OAHLLOKOSA-N 0 0 326.318 2.122 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)COc1cccc(Cl)c1 ZINC000585094671 468963130 /nfs/dbraw/zinc/96/31/30/468963130.db2.gz GSCGVCUCOXJBMC-CYBMUJFWSA-N 0 0 349.818 2.052 40 0 EEABRN CCS(=O)(=O)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1 ZINC000585095026 468964757 /nfs/dbraw/zinc/96/47/57/468964757.db2.gz AHCJYHMAHIKBBT-OAHLLOKOSA-N 0 0 326.462 2.086 40 0 EEABRN O=C(C[C@@H]1Cn2cccc2CN(Cc2nccs2)C1)N1CCCO1 ZINC000585099187 468967807 /nfs/dbraw/zinc/96/78/07/468967807.db2.gz SDQGFOFYTBQYQI-AWEZNQCLSA-N 0 0 346.456 2.131 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000585102761 468970883 /nfs/dbraw/zinc/97/08/83/468970883.db2.gz GTCOVCLOFJCAND-QFBILLFUSA-N 0 0 332.419 2.475 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)o1 ZINC000585110883 468973779 /nfs/dbraw/zinc/97/37/79/468973779.db2.gz SPHKFDNKBFMDNH-MRXNPFEDSA-N 0 0 342.443 2.337 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1ccccc1)C2 ZINC000585110896 468975208 /nfs/dbraw/zinc/97/52/08/468975208.db2.gz WIKIWWXUTOITTP-QGZVFWFLSA-N 0 0 338.455 2.436 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)o1 ZINC000585112824 468975888 /nfs/dbraw/zinc/97/58/88/468975888.db2.gz XAWHBAIUNVOBLO-HNNXBMFYSA-N 0 0 328.416 2.258 40 0 EEABRN CN(C)C(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 ZINC000585112816 468976509 /nfs/dbraw/zinc/97/65/09/468976509.db2.gz WTZDMNADBITYKH-CQSZACIVSA-N 0 0 333.461 2.163 40 0 EEABRN CC[C@H](Sc1ccccc1)C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC000585141222 468989767 /nfs/dbraw/zinc/98/97/67/468989767.db2.gz RINOOWSGEAPVTF-OCCSQVGLSA-N 0 0 346.456 2.496 40 0 EEABRN O=S(=O)(NCCn1cc(-c2cccnc2)cn1)C1CCCCC1 ZINC000585148396 468992646 /nfs/dbraw/zinc/99/26/46/468992646.db2.gz WEYUTDTUDVJWQV-UHFFFAOYSA-N 0 0 334.445 2.197 40 0 EEABRN CO[C@H]1CCCN(Cc2cc(C)on2)[C@H]1CCC(=O)N1CCCC1 ZINC000585268924 468996763 /nfs/dbraw/zinc/99/67/63/468996763.db2.gz DQNBTNJUDIRDBD-IRXDYDNUSA-N 0 0 335.448 2.365 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2ccccn2)C1 ZINC000585275312 468999725 /nfs/dbraw/zinc/99/97/25/468999725.db2.gz AJDKBXIPZDDZLJ-IBGZPJMESA-N 0 0 344.386 2.460 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(C(=O)CC3CCC3)C2)c1 ZINC000585276176 469000319 /nfs/dbraw/zinc/00/03/19/469000319.db2.gz MQHQXRKBWHNHGI-IBGZPJMESA-N 0 0 333.428 2.154 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)[nH]1 ZINC000585276640 469001632 /nfs/dbraw/zinc/00/16/32/469001632.db2.gz GTULJVDVZJZNJT-IBGZPJMESA-N 0 0 347.434 2.226 40 0 EEABRN O=C(Cc1ccncc1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585278513 469003827 /nfs/dbraw/zinc/00/38/27/469003827.db2.gz TXIRKYYPTKBTJA-AEFFLSMTSA-N 0 0 328.387 2.215 40 0 EEABRN COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccccc1C(F)(F)F ZINC000585279796 469006297 /nfs/dbraw/zinc/00/62/97/469006297.db2.gz YOPBVEOCKLGMSV-OAHLLOKOSA-N 0 0 344.333 2.202 40 0 EEABRN Cc1nc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)co1 ZINC000585285652 469010308 /nfs/dbraw/zinc/01/03/08/469010308.db2.gz PXCFTECBKZDXJO-HFBAOOFYSA-N 0 0 334.347 2.070 40 0 EEABRN O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585290059 469012138 /nfs/dbraw/zinc/01/21/38/469012138.db2.gz ZLGFXJAUVPLFRH-SFHVURJKSA-N 0 0 325.368 2.041 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(N(C)C)n3)C2)nc1 ZINC000607143399 469670068 /nfs/dbraw/zinc/67/00/68/469670068.db2.gz DZFQSDSAUWIRAS-CQSZACIVSA-N 0 0 340.431 2.101 40 0 EEABRN Cc1noc([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000624649598 469997237 /nfs/dbraw/zinc/99/72/37/469997237.db2.gz JZXRURGZVSCEIE-LLVKDONJSA-N 0 0 333.363 2.443 40 0 EEABRN O=C(Cc1ccon1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000673646630 485485859 /nfs/dbraw/zinc/48/58/59/485485859.db2.gz IVHLBYADJGGQGG-UHFFFAOYSA-N 0 0 347.802 2.245 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2nc(C)cc(C)n2)C1 ZINC000390827149 485667491 /nfs/dbraw/zinc/66/74/91/485667491.db2.gz FEPLBJZUNONDLI-INIZCTEOSA-N 0 0 341.411 2.324 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000257305591 501076904 /nfs/dbraw/zinc/07/69/04/501076904.db2.gz SQRDYLRVYFFEBB-HNNXBMFYSA-N 0 0 325.416 2.425 40 0 EEABRN C[C@H]1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000191437352 533864820 /nfs/dbraw/zinc/86/48/20/533864820.db2.gz MLDAXOBIPVHDGK-GWCFXTLKSA-N 0 0 332.322 2.405 40 0 EEABRN O=C(c1cccs1)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1 ZINC000019403516 526836317 /nfs/dbraw/zinc/83/63/17/526836317.db2.gz MGUCYXLODZXFRE-LBPRGKRZSA-N 0 0 340.412 2.101 40 0 EEABRN CN(C(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000226040161 535982309 /nfs/dbraw/zinc/98/23/09/535982309.db2.gz AZOFIHYITVSUHZ-UHFFFAOYSA-N 0 0 346.452 2.154 40 0 EEABRN CCn1cc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000257229123 536027683 /nfs/dbraw/zinc/02/76/83/536027683.db2.gz FWTHFBHLUPVORL-GOSISDBHSA-N 0 0 340.427 2.257 40 0 EEABRN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]12 ZINC000257204469 536300057 /nfs/dbraw/zinc/30/00/57/536300057.db2.gz AUTBHEMCFFOCIR-VNQPRFMTSA-N 0 0 342.468 2.454 40 0 EEABRN COC[C@@H](NC(=O)NCCc1ccc2[nH]ccc2c1)[C@H]1CCCO1 ZINC000252485344 536698439 /nfs/dbraw/zinc/69/84/39/536698439.db2.gz GRTVWAPRKMUUIX-IAGOWNOFSA-N 0 0 331.416 2.204 40 0 EEABRN COc1ccc(C(=O)N2CCC(c3ccnc4ccnn43)CC2)cn1 ZINC000257266354 536711693 /nfs/dbraw/zinc/71/16/93/536711693.db2.gz MCQIXHMLODWJQN-UHFFFAOYSA-N 0 0 337.383 2.153 40 0 EEABRN CCCC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(C)C)[C@@H]2CO)cc1 ZINC000072321129 1296886840 /nfs/dbraw/zinc/88/68/40/1296886840.db2.gz ZVQUVXMHTPCYGX-VQIMIIECSA-N 0 0 348.443 2.342 40 0 biogenic,in-vitro EEABRN Cc1ccc(OCCN2C(=O)CN(c3nc(C)cc(C)n3)C2=O)cc1 ZINC000026580428 1352371359 /nfs/dbraw/zinc/37/13/59/1352371359.db2.gz DRSWXHLUTYHAGG-UHFFFAOYSA-N 0 0 340.383 2.249 40 0 EEABRN CCn1nccc1C(=O)Nc1cnn(Cc2cccc(OC)c2)c1 ZINC000028239412 1352374137 /nfs/dbraw/zinc/37/41/37/1352374137.db2.gz YSQQYQKGWBQOLG-UHFFFAOYSA-N 0 0 325.372 2.409 40 0 EEABRN CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 ZINC000003841286 1410558369 /nfs/dbraw/zinc/55/83/69/1410558369.db2.gz KARXJSGJOWZHAT-BBRMVZONSA-N 0 0 343.427 2.164 40 0 biogenic,in-vitro EEABRN CCOc1ccc2c(c1)CCN(C(=O)COc1c(C)occc1=O)C2 ZINC001548449109 1124292138 /nfs/dbraw/zinc/29/21/38/1124292138.db2.gz NHBAJDSRNSYCLV-UHFFFAOYSA-N 0 0 343.379 2.311 40 0 EEABRN Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000050444632 214056522 /nfs/dbraw/zinc/05/65/22/214056522.db2.gz HKYLVTORXNQUKM-INIZCTEOSA-N 0 0 339.439 2.467 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000055547176 214328771 /nfs/dbraw/zinc/32/87/71/214328771.db2.gz LLEDGBJLRZDRGD-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)[O-] ZINC000004318919 210169492 /nfs/dbraw/zinc/16/94/92/210169492.db2.gz JLXXPVQLAJLGRL-SMDDNHRTSA-N 0 0 340.807 2.199 40 0 EEABRN Cc1cccc(NC(=O)CSCC(=O)N=c2sccn2C)c1 ZINC000101833452 219166101 /nfs/dbraw/zinc/16/61/01/219166101.db2.gz NICHXJAXQICRHA-ICFOKQHNSA-N 0 0 335.454 2.194 40 0 EEABRN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000004001637 210098557 /nfs/dbraw/zinc/09/85/57/210098557.db2.gz FUEWBIZFEPCTSE-UHFFFAOYSA-N 0 0 346.364 2.135 40 0 EEABRN CSc1cccc(N2C[C@@H](C(=O)Nc3ccn(C)n3)CC2=O)c1 ZINC000044873025 213655390 /nfs/dbraw/zinc/65/53/90/213655390.db2.gz ZKMHPSYWPZWONR-NSHDSACASA-N 0 0 330.413 2.134 40 0 EEABRN Cc1ccccc1C(=O)N[C@H](C(=O)/N=c1/sccn1C)C(C)C ZINC000103038772 219249222 /nfs/dbraw/zinc/24/92/22/219249222.db2.gz XSIFOACINXYUET-HMWBCQRISA-N 0 0 331.441 2.277 40 0 EEABRN CC[C@@H]1CN(CCNC(=O)c2ccc(F)c3ccncc23)CCO1 ZINC000585108350 539980399 /nfs/dbraw/zinc/98/03/99/539980399.db2.gz UQPAGVAOIBDSHD-CYBMUJFWSA-N 0 0 331.391 2.215 40 0 EEABRN CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000032639819 212820794 /nfs/dbraw/zinc/82/07/94/212820794.db2.gz MZPXDLGJKZZAGI-VXGBXAGGSA-N 0 0 330.862 2.435 40 0 EEABRN Cc1ccc2cnn(CCC(=O)N[C@H](C)C(=O)N3CCCCC3)c2c1 ZINC000072250164 216084060 /nfs/dbraw/zinc/08/40/60/216084060.db2.gz IWFJKHFGQNCYQI-OAHLLOKOSA-N 0 0 342.443 2.252 40 0 EEABRN CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2c2ncccn2)c1 ZINC000072360511 216166727 /nfs/dbraw/zinc/16/67/27/216166727.db2.gz LTYXEQJNKUEOGF-INIZCTEOSA-N 0 0 325.416 2.200 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355411 216164043 /nfs/dbraw/zinc/16/40/43/216164043.db2.gz CFDCYASTFHZIAA-MRXNPFEDSA-N 0 0 348.410 2.006 40 0 EEABRN Cc1ccc(C2(O)CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000072368770 216175872 /nfs/dbraw/zinc/17/58/72/216175872.db2.gz QHPZAUWOYLCMMB-UHFFFAOYSA-N 0 0 332.425 2.062 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CC(C)(C)C)C2 ZINC000072390840 216190725 /nfs/dbraw/zinc/19/07/25/216190725.db2.gz IVOQSYKAZQMUBZ-MRXNPFEDSA-N 0 0 344.459 2.481 40 0 EEABRN CC(C)S(=O)(=O)NC[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000072584921 216278628 /nfs/dbraw/zinc/27/86/28/216278628.db2.gz FJFMSFSKQDQISX-CYBMUJFWSA-N 0 0 345.896 2.275 40 0 EEABRN COc1ccc(CC(=O)NC[C@H](O)c2sccc2C)cc1OC ZINC000075155245 216587142 /nfs/dbraw/zinc/58/71/42/216587142.db2.gz YZORBLVKNMZISX-ZDUSSCGKSA-N 0 0 335.425 2.466 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)o1 ZINC000193453441 240170861 /nfs/dbraw/zinc/17/08/61/240170861.db2.gz GXGMMRDFPFDQPJ-LBPRGKRZSA-N 0 0 328.434 2.258 40 0 EEABRN Cc1cc(C)n(-c2ccc(CS(=O)(=O)Cc3ccnn3C)cc2)n1 ZINC000194405384 240565678 /nfs/dbraw/zinc/56/56/78/240565678.db2.gz QLKORKYMJXVUKA-UHFFFAOYSA-N 0 0 344.440 2.338 40 0 EEABRN C[C@@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H](c2ccco2)C1 ZINC000195531441 240988202 /nfs/dbraw/zinc/98/82/02/240988202.db2.gz JIYSYMGFTJNXEE-MGPQQGTHSA-N 0 0 325.430 2.404 40 0 EEABRN O=C(c1ccc(O)cc1)N1CCN(c2nnc(C3CC3)s2)CC1 ZINC000195576684 241023090 /nfs/dbraw/zinc/02/30/90/241023090.db2.gz YETOTXWRJGBLCZ-UHFFFAOYSA-N 0 0 330.413 2.084 40 0 EEABRN COC[C@@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052181 241292988 /nfs/dbraw/zinc/29/29/88/241292988.db2.gz YMEGOAVOQZMSHP-OKZBNKHCSA-N 0 0 331.437 2.279 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225201991 241808695 /nfs/dbraw/zinc/80/86/95/241808695.db2.gz FRBZDKXOVMEAEE-NWDGAFQWSA-N 0 0 330.425 2.141 40 0 EEABRN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225457379 241873633 /nfs/dbraw/zinc/87/36/33/241873633.db2.gz SWWBXGVETPIMDW-MAUKXSAKSA-N 0 0 339.395 2.160 40 0 EEABRN CCS(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 ZINC000225963927 242081986 /nfs/dbraw/zinc/08/19/86/242081986.db2.gz QMXMQWSQRMPKOP-UHFFFAOYSA-N 0 0 346.408 2.487 40 0 EEABRN CCOC(=O)C(Cc1c(C)[nH]c2ccccc2c1=O)C(=O)OCC ZINC000227163404 242125292 /nfs/dbraw/zinc/12/52/92/242125292.db2.gz OCVBIGLBNKFUOZ-UHFFFAOYSA-N 0 0 331.368 2.121 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)N(C)Cc3ccco3)nn2)c1 ZINC000227161221 242125684 /nfs/dbraw/zinc/12/56/84/242125684.db2.gz LPTQMGNOFAROTQ-UHFFFAOYSA-N 0 0 340.383 2.417 40 0 EEABRN Fc1cccnc1N1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000242339172 243020072 /nfs/dbraw/zinc/02/00/72/243020072.db2.gz ZFMGIESKMDKULY-UHFFFAOYSA-N 0 0 333.314 2.418 40 0 EEABRN CCOCC[C@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3C)C[C@@H]12 ZINC000248028732 243504803 /nfs/dbraw/zinc/50/48/03/243504803.db2.gz PHYSKSFBKOZQLC-JYJNAYRXSA-N 0 0 339.457 2.057 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000248037672 243507873 /nfs/dbraw/zinc/50/78/73/243507873.db2.gz RMUDDWFXMWHQDK-MRXNPFEDSA-N 0 0 342.395 2.431 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNC(=O)NCC[S@@](=O)C(C)(C)C)c1 ZINC000252492088 243802112 /nfs/dbraw/zinc/80/21/12/243802112.db2.gz MBXLVFMXFJBYRY-NPMXOYFQSA-N 0 0 340.489 2.183 40 0 EEABRN Cc1cscc1CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000252490072 243794246 /nfs/dbraw/zinc/79/42/46/243794246.db2.gz KIKMCCCGLWWONL-DZGCQCFKSA-N 0 0 338.473 2.423 40 0 EEABRN CSc1nc(=O)n(C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)n1C ZINC000255187796 244045652 /nfs/dbraw/zinc/04/56/52/244045652.db2.gz GUMZXLMWBWROFI-RKDXNWHRSA-N 0 0 337.367 2.033 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)cc1 ZINC000257206819 244135701 /nfs/dbraw/zinc/13/57/01/244135701.db2.gz BEZRRHRHRJWUMW-CQSZACIVSA-N 0 0 347.440 2.362 40 0 EEABRN Cc1cc(C)n(CC(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)n1 ZINC000257203552 244128544 /nfs/dbraw/zinc/12/85/44/244128544.db2.gz AQQCZSYSIYAQBB-GOSISDBHSA-N 0 0 343.431 2.022 40 0 EEABRN CC(C)(C)CC(=O)N1CCC[C@H](Cc2cc(C(N)=O)ncn2)CC1 ZINC000257216350 244166720 /nfs/dbraw/zinc/16/67/20/244166720.db2.gz CUEAIZYCSJWNQF-ZDUSSCGKSA-N 0 0 332.448 2.183 40 0 EEABRN Cc1ncsc1C(=O)N1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257222021 244189463 /nfs/dbraw/zinc/18/94/63/244189463.db2.gz DRONGFIJZMXZIR-UHFFFAOYSA-N 0 0 343.412 2.220 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1 ZINC000257224209 244196172 /nfs/dbraw/zinc/19/61/72/244196172.db2.gz FATBQDHEZSHWQR-MRXNPFEDSA-N 0 0 336.399 2.491 40 0 EEABRN COc1ccc(C[C@H]2COCCN(C(=O)C3CCOCC3)C2)cc1 ZINC000257230282 244210404 /nfs/dbraw/zinc/21/04/04/244210404.db2.gz GBOOKAPRRJGKQA-MRXNPFEDSA-N 0 0 333.428 2.139 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000020155641 212107760 /nfs/dbraw/zinc/10/77/60/212107760.db2.gz CHNZWAWJLLHTEB-UHFFFAOYSA-N 0 0 328.416 2.142 40 0 EEABRN Cc1nc(N)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000257248586 244263397 /nfs/dbraw/zinc/26/33/97/244263397.db2.gz JEHYXJAMLCJLBS-ZDUSSCGKSA-N 0 0 344.419 2.170 40 0 EEABRN Cn1nccc1C(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000257249715 244266317 /nfs/dbraw/zinc/26/63/17/244266317.db2.gz JJMFSEZCTWQCOZ-VQIMIIECSA-N 0 0 341.411 2.263 40 0 EEABRN Cc1nc(CN2CCOC[C@H]2c2nc(C)cc(N(C)C)n2)cs1 ZINC000257250448 244268468 /nfs/dbraw/zinc/26/84/68/244268468.db2.gz JMOQCWDQWVVQKQ-AWEZNQCLSA-N 0 0 333.461 2.189 40 0 EEABRN O=C(Cc1cccs1)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257250547 244269048 /nfs/dbraw/zinc/26/90/48/244269048.db2.gz JMYURSFGWMDVKA-VHDGCEQUSA-N 0 0 328.441 2.430 40 0 EEABRN Cc1cnc(C(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)cn1 ZINC000257270991 244376703 /nfs/dbraw/zinc/37/67/03/244376703.db2.gz MWKQBCUXAWACHT-OAHLLOKOSA-N 0 0 325.416 2.266 40 0 EEABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCCC1 ZINC000019930651 212085293 /nfs/dbraw/zinc/08/52/93/212085293.db2.gz LGJXWPAATUDXAC-UHFFFAOYSA-N 0 0 336.457 2.072 40 0 EEABRN COc1cccc(CCc2nnc(NC(=O)[C@H]3CC(C)=NO3)s2)c1 ZINC000019658223 212054540 /nfs/dbraw/zinc/05/45/40/212054540.db2.gz ABRMBRQEKABQTC-CYBMUJFWSA-N 0 0 346.412 2.435 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019573579 212046182 /nfs/dbraw/zinc/04/61/82/212046182.db2.gz RFRSLNZBQOCMIM-HNNXBMFYSA-N 0 0 331.441 2.260 40 0 EEABRN COc1cccc(-c2cc(C(=O)N(C)Cc3nonc3C)[nH]n2)c1 ZINC000019559133 212043038 /nfs/dbraw/zinc/04/30/38/212043038.db2.gz VTYSROILFRRNDO-UHFFFAOYSA-N 0 0 327.344 2.049 40 0 EEABRN CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)cc(=O)[nH]2)cc1 ZINC000019532931 212038898 /nfs/dbraw/zinc/03/88/98/212038898.db2.gz TUHPCTXUGJFEON-INIZCTEOSA-N 0 0 341.411 2.383 40 0 EEABRN CCc1nc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)no1 ZINC000019523174 212036678 /nfs/dbraw/zinc/03/66/78/212036678.db2.gz VDLDSELUQQCIBN-UHFFFAOYSA-N 0 0 346.778 2.105 40 0 EEABRN C[C@H](NC(=O)c1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019458457 212029661 /nfs/dbraw/zinc/02/96/61/212029661.db2.gz UMKPPLSBKWFZMD-NSHDSACASA-N 0 0 338.342 2.462 40 0 EEABRN CC(C)c1cc(C(=O)NCCn2nc(-c3cccs3)oc2=O)on1 ZINC000019453029 212028363 /nfs/dbraw/zinc/02/83/63/212028363.db2.gz VVCOOFPEYKFVJA-UHFFFAOYSA-N 0 0 348.384 2.106 40 0 EEABRN O=C(C1CCOCC1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000019345412 212019637 /nfs/dbraw/zinc/01/96/37/212019637.db2.gz RYVYDLZSCCLGKA-UHFFFAOYSA-N 0 0 341.411 2.056 40 0 EEABRN COc1cccc(CNC(=O)Nc2cccc(-n3nnnc3C)c2)c1 ZINC000045689763 213749787 /nfs/dbraw/zinc/74/97/87/213749787.db2.gz ZFMWTFBBEVJLNW-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN CC(C)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019085434 212000079 /nfs/dbraw/zinc/00/00/79/212000079.db2.gz REOAKXZINATBCV-GRYCIOLGSA-N 0 0 327.379 2.163 40 0 EEABRN COC(=O)Nc1cccc(C(=O)OCCN2CCCCCC2=O)c1 ZINC000078411433 217049931 /nfs/dbraw/zinc/04/99/31/217049931.db2.gz WHSAIXFJFFOROB-UHFFFAOYSA-N 0 0 334.372 2.424 40 0 EEABRN Cc1ncsc1CCOC(=O)c1cccc(N2CCNC2=O)c1 ZINC000078442167 217053811 /nfs/dbraw/zinc/05/38/11/217053811.db2.gz KJLSWUIGFZUFBK-UHFFFAOYSA-N 0 0 331.397 2.381 40 0 EEABRN O=C(NCCNc1ncccn1)c1ccc(N2CCCC2)c(F)c1 ZINC000078609945 217085759 /nfs/dbraw/zinc/08/57/59/217085759.db2.gz JFONHZFUMOZWQO-UHFFFAOYSA-N 0 0 329.379 2.058 40 0 EEABRN O=C1NCc2ccc(N[C@@H]3CCN(c4ccccc4F)C3=O)cc21 ZINC000079028154 217176698 /nfs/dbraw/zinc/17/66/98/217176698.db2.gz KHHCGUHDQODWIZ-OAHLLOKOSA-N 0 0 325.343 2.287 40 0 EEABRN C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)n1cncn1 ZINC000079039549 217179630 /nfs/dbraw/zinc/17/96/30/217179630.db2.gz GCRQTSNTRDWBFK-AWEZNQCLSA-N 0 0 341.415 2.350 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1ccnc1 ZINC000079351786 217212080 /nfs/dbraw/zinc/21/20/80/217212080.db2.gz JFLYSOSYYFAMHM-TZMCWYRMSA-N 0 0 344.390 2.437 40 0 EEABRN CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1cccs1 ZINC000080583679 217315472 /nfs/dbraw/zinc/31/54/72/217315472.db2.gz TXVXHCNFTLURNY-LLVKDONJSA-N 0 0 342.417 2.416 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)CCN1c2ccccc2CC[C@H]1C ZINC000081011282 217349685 /nfs/dbraw/zinc/34/96/85/217349685.db2.gz GAFDXIDHLVPNBB-LSDHHAIUSA-N 0 0 327.432 2.014 40 0 EEABRN CCn1cnc(I)c1I ZINC000148292288 223724376 /nfs/dbraw/zinc/72/43/76/223724376.db2.gz VSCDDQPDPJYKHB-UHFFFAOYSA-N 0 0 347.925 2.112 40 0 EEABRN CNC(=O)c1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cn1 ZINC000264162487 246124958 /nfs/dbraw/zinc/12/49/58/246124958.db2.gz OAYXIULCHPIYOF-UHFFFAOYSA-N 0 0 329.322 2.292 40 0 EEABRN COC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000084777929 217645838 /nfs/dbraw/zinc/64/58/38/217645838.db2.gz IPHDIXNCGSDFFN-WCQYABFASA-N 0 0 343.374 2.286 40 0 EEABRN Cc1nsc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)n1 ZINC000266556627 248359053 /nfs/dbraw/zinc/35/90/53/248359053.db2.gz MDJXHJUFVFTCRU-SNVBAGLBSA-N 0 0 346.441 2.459 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](c2nnsc2-c2cc(C)no2)C1 ZINC000012276092 211332913 /nfs/dbraw/zinc/33/29/13/211332913.db2.gz AYRPYTYFHJIRLI-JTQLQIEISA-N 0 0 342.446 2.031 40 0 EEABRN Cc1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012184874 211311895 /nfs/dbraw/zinc/31/18/95/211311895.db2.gz MCZIYJLJJLGRRB-CYBMUJFWSA-N 0 0 344.440 2.129 40 0 EEABRN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCC[C@@H]1CCOC1 ZINC000012204132 211320879 /nfs/dbraw/zinc/32/08/79/211320879.db2.gz MYXGJSGQKCWUBM-LLVKDONJSA-N 0 0 338.791 2.181 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)[nH]n2)o1 ZINC000012116190 211296107 /nfs/dbraw/zinc/29/61/07/211296107.db2.gz DFXRIFRYSZDMIT-UHFFFAOYSA-N 0 0 338.371 2.103 40 0 EEABRN CCn1c2ncccc2n(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1=O ZINC000012117473 211295297 /nfs/dbraw/zinc/29/52/97/211295297.db2.gz DEBKVKIGLLOTQH-CABCVRRESA-N 0 0 342.443 2.399 40 0 EEABRN CC(C)(C)OC(=O)c1cccc(C(=O)NCc2csc(=O)[nH]2)c1 ZINC000092125201 218122208 /nfs/dbraw/zinc/12/22/08/218122208.db2.gz OZGCDHOJAKLZHA-UHFFFAOYSA-N 0 0 334.397 2.322 40 0 EEABRN CC(=O)N(C)Cc1ccccc1NC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000095403816 218338772 /nfs/dbraw/zinc/33/87/72/218338772.db2.gz HWPIUDTYRLLZJS-LBPRGKRZSA-N 0 0 329.404 2.281 40 0 EEABRN CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)[C@H](O)c1ccccc1F ZINC000095406999 218342923 /nfs/dbraw/zinc/34/29/23/218342923.db2.gz XONHAPDGNMUDFA-FUHWJXTLSA-N 0 0 333.407 2.347 40 0 EEABRN COc1cc(Cn2c(CS(C)(=O)=O)nc3ccccc32)ccn1 ZINC000095447076 218391135 /nfs/dbraw/zinc/39/11/35/218391135.db2.gz KRQHQFKSIRTBQF-UHFFFAOYSA-N 0 0 331.397 2.033 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000226603703 296309321 /nfs/dbraw/zinc/30/93/21/296309321.db2.gz LWKYYJFERTWKLC-CSMYWGQOSA-N 0 0 334.391 2.125 40 0 EEABRN Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039830 218522019 /nfs/dbraw/zinc/52/20/19/218522019.db2.gz GYEPSXHPOPOMNQ-AEFFLSMTSA-N 0 0 334.416 2.421 40 0 EEABRN COc1cccc2cc(C(=O)N3CCC(S(C)(=O)=O)CC3)oc21 ZINC000096098200 218591904 /nfs/dbraw/zinc/59/19/04/218591904.db2.gz ULZCFEUTXXAUOV-UHFFFAOYSA-N 0 0 337.397 2.091 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096110852 218606558 /nfs/dbraw/zinc/60/65/58/218606558.db2.gz JJUATWXSSWEAIQ-PXAZEXFGSA-N 0 0 347.346 2.051 40 0 EEABRN CCS(=O)(=O)N1C[C@H]2CCC[C@@]2(COCc2csc(C)n2)C1 ZINC000096109287 218604522 /nfs/dbraw/zinc/60/45/22/218604522.db2.gz FMWOCWFTPRFTQS-HIFRSBDPSA-N 0 0 344.502 2.420 40 0 EEABRN CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1 ZINC000006679726 210678072 /nfs/dbraw/zinc/67/80/72/210678072.db2.gz ZMAIXAQWMNBBGS-JTQLQIEISA-N 0 0 330.475 2.369 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 ZINC000096240754 218713758 /nfs/dbraw/zinc/71/37/58/218713758.db2.gz PXIYZHWZJXYTSO-MRXNPFEDSA-N 0 0 348.418 2.219 40 0 EEABRN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000096407550 218759273 /nfs/dbraw/zinc/75/92/73/218759273.db2.gz QIWKRQVHSBLZLC-AEFFLSMTSA-N 0 0 344.455 2.338 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000096405513 218756095 /nfs/dbraw/zinc/75/60/95/218756095.db2.gz WJXPTWUCRUSJHV-DZGCQCFKSA-N 0 0 345.374 2.500 40 0 EEABRN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccn[nH]2)cc1 ZINC000096412073 218767875 /nfs/dbraw/zinc/76/78/75/218767875.db2.gz WBMUBMHZYFAOMY-UHFFFAOYSA-N 0 0 335.367 2.011 40 0 EEABRN O=C(CCc1cccc(F)c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414033 218771487 /nfs/dbraw/zinc/77/14/87/218771487.db2.gz YSUJHNFJDVTMNJ-GFCCVEGCSA-N 0 0 332.297 2.038 40 0 EEABRN CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000096426112 218795261 /nfs/dbraw/zinc/79/52/61/218795261.db2.gz WXEBVGPRIMQKCC-OAQYLSRUSA-N 0 0 344.502 2.486 40 0 EEABRN Cc1ncc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)s1 ZINC000096426286 218796109 /nfs/dbraw/zinc/79/61/09/218796109.db2.gz VXZJYVYGWXQIMC-MRXNPFEDSA-N 0 0 349.431 2.280 40 0 EEABRN COc1ccc(C)cc1CCNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000096427637 218799599 /nfs/dbraw/zinc/79/95/99/218799599.db2.gz SJXHDWPMXNLIMT-UHFFFAOYSA-N 0 0 337.445 2.302 40 0 EEABRN NC(=O)N1CCC[C@H]1COC(=O)c1cccc(Br)c1 ZINC000096442217 218823968 /nfs/dbraw/zinc/82/39/68/218823968.db2.gz XYKLCVSSTZNLGV-NSHDSACASA-N 0 0 327.178 2.149 40 0 EEABRN CC(C)c1cccc(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)o2)c1 ZINC000096494228 218871825 /nfs/dbraw/zinc/87/18/25/218871825.db2.gz COGSIEQXEICCQN-HNNXBMFYSA-N 0 0 342.395 2.396 40 0 EEABRN CC(C)n1nnnc1-c1ccc(NC(=O)[C@H]2OCC[C@@H]2C)cc1F ZINC000096501729 218878565 /nfs/dbraw/zinc/87/85/65/218878565.db2.gz WSTZQRXYNOTXPU-HZMBPMFUSA-N 0 0 333.367 2.424 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 ZINC000004965867 210341962 /nfs/dbraw/zinc/34/19/62/210341962.db2.gz RTLFDFBLJZRKJB-UHFFFAOYSA-N 0 0 339.399 2.290 40 0 EEABRN C[C@@H](c1ccccc1F)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000004929259 210328079 /nfs/dbraw/zinc/32/80/79/210328079.db2.gz CQBDRMKHKCXFFX-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](O)C1 ZINC000097371556 219016292 /nfs/dbraw/zinc/01/62/92/219016292.db2.gz XZCGHKVQFFPJQK-JTQLQIEISA-N 0 0 329.194 2.446 40 0 EEABRN O=C(NC1(c2ncon2)CCOCC1)c1ccc(F)c(Cl)c1F ZINC000097378213 219018885 /nfs/dbraw/zinc/01/88/85/219018885.db2.gz KYSDFVPLNXJFOD-UHFFFAOYSA-N 0 0 343.717 2.437 40 0 EEABRN COc1ccccc1CN(C[C@H]1CCCO1)c1nccn2cnnc12 ZINC000271308009 257996477 /nfs/dbraw/zinc/99/64/77/257996477.db2.gz HYPDQDQMVDSDAP-OAHLLOKOSA-N 0 0 339.399 2.319 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000096446343 533324887 /nfs/dbraw/zinc/32/48/87/533324887.db2.gz XXLIULITFQRNEC-JSGCOSHPSA-N 0 0 343.395 2.152 40 0 EEABRN Cc1c(CNc2nc3ccccc3nc2N2CCOCC2)cnn1C ZINC000095449501 132822953 /nfs/dbraw/zinc/82/29/53/132822953.db2.gz MSUNDJPHFDXPRF-UHFFFAOYSA-N 0 0 338.415 2.120 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(OC)cc1 ZINC000072354744 292176296 /nfs/dbraw/zinc/17/62/96/292176296.db2.gz DVMAIQZFGIFHIZ-OAHLLOKOSA-N 0 0 342.399 2.044 40 0 EEABRN COc1cc(N2CCC[C@]3(CCC(=O)N3CC3CC3)CC2)ncn1 ZINC000096217965 286229475 /nfs/dbraw/zinc/22/94/75/286229475.db2.gz FUROGMITQLQCGR-SFHVURJKSA-N 0 0 330.432 2.247 40 0 EEABRN COCCN1C(=O)C[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1Cl ZINC000257222743 292517898 /nfs/dbraw/zinc/51/78/98/292517898.db2.gz DUNNBMTVKBDBOT-CJNGLKHVSA-N 0 0 336.819 2.155 40 0 EEABRN COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(C)cc1 ZINC000014153094 262503529 /nfs/dbraw/zinc/50/35/29/262503529.db2.gz DLBKFYCBSSLJFI-UHFFFAOYSA-N 0 0 326.352 2.150 40 0 EEABRN CCn1c2cccc(F)c2nc1CN1CCC[C@H]1c1nc(N)n(C)n1 ZINC000284274006 269583030 /nfs/dbraw/zinc/58/30/30/269583030.db2.gz NADWFMQOUBYMKI-ZDUSSCGKSA-N 0 0 343.410 2.243 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000285355867 274717506 /nfs/dbraw/zinc/71/75/06/274717506.db2.gz WFXALGGXXQUBEZ-SSDOTTSWSA-N 0 0 325.217 2.212 40 0 EEABRN CC(C)C(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC000096147000 277332153 /nfs/dbraw/zinc/33/21/53/277332153.db2.gz JZDPOWDSCIFXQV-UHFFFAOYSA-N 0 0 335.473 2.352 40 0 EEABRN O=C(c1ccnnc1)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106472 280221857 /nfs/dbraw/zinc/22/18/57/280221857.db2.gz UZIXHDGGYMBGGN-QGZVFWFLSA-N 0 0 345.443 2.162 40 0 EEABRN CC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000078548986 280229200 /nfs/dbraw/zinc/22/92/00/280229200.db2.gz QPUPFWOECYCBJT-QGZVFWFLSA-N 0 0 334.375 2.249 40 0 EEABRN Cc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccn3)nc2n1 ZINC000180558280 280452889 /nfs/dbraw/zinc/45/28/89/280452889.db2.gz XRLMGAZITFNMLP-UHFFFAOYSA-N 0 0 336.277 2.407 40 0 EEABRN Cc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)c1 ZINC000072241561 302277988 /nfs/dbraw/zinc/27/79/88/302277988.db2.gz QHLGSPXNXCWPSJ-IRXDYDNUSA-N 0 0 343.358 2.066 40 0 EEABRN O=S(=O)(CCC1CCOCC1)N1CCC[C@H](OCC2CC2)C1 ZINC000330300155 311740283 /nfs/dbraw/zinc/74/02/83/311740283.db2.gz MYWWZILBDZTYFA-INIZCTEOSA-N 0 0 331.478 2.024 40 0 EEABRN CNc1ccc(Cl)c(C(=O)N2CCN(c3nccnc3C)CC2)c1 ZINC000332396352 312000620 /nfs/dbraw/zinc/00/06/20/312000620.db2.gz PFSBMCLJLCDPJQ-UHFFFAOYSA-N 0 0 345.834 2.443 40 0 EEABRN Cc1ccncc1N1CCN(Cc2nc(CC(F)(F)F)no2)CC1 ZINC000332430925 312006541 /nfs/dbraw/zinc/00/65/41/312006541.db2.gz WPPLHBDFWAJGCV-UHFFFAOYSA-N 0 0 341.337 2.200 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000333974338 312222592 /nfs/dbraw/zinc/22/25/92/312222592.db2.gz NXUUXERVKSTBLC-DGCLKSJQSA-N 0 0 328.409 2.024 40 0 EEABRN COCc1ccccc1NC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000097095624 323320393 /nfs/dbraw/zinc/32/03/93/323320393.db2.gz JBNWXRNGGZTSPW-UHFFFAOYSA-N 0 0 334.322 2.480 40 0 EEABRN O=C(NCCNC(=O)c1c(F)ccc(F)c1F)c1cccs1 ZINC000097096750 323320607 /nfs/dbraw/zinc/32/06/07/323320607.db2.gz IKEPAKVTQBWPRV-UHFFFAOYSA-N 0 0 328.315 2.325 40 0 EEABRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000097236704 323321085 /nfs/dbraw/zinc/32/10/85/323321085.db2.gz SNIAVGJCFLLBOV-LBPRGKRZSA-N 0 0 338.367 2.466 40 0 EEABRN COC(=O)CCN1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1C ZINC000097232644 323321330 /nfs/dbraw/zinc/32/13/30/323321330.db2.gz NQNHCWGPMIHRLG-GFCCVEGCSA-N 0 0 348.374 2.281 40 0 EEABRN CCc1nn(C)cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000097237360 323321448 /nfs/dbraw/zinc/32/14/48/323321448.db2.gz YTLYCXVKMXNCNL-UHFFFAOYSA-N 0 0 328.351 2.083 40 0 EEABRN Cc1nncn1-c1cccc(NC(=O)c2ccccc2-n2ccnn2)c1 ZINC000097371475 323322280 /nfs/dbraw/zinc/32/22/80/323322280.db2.gz RMYCEDNSXCSZEU-UHFFFAOYSA-N 0 0 345.366 2.409 40 0 EEABRN O=S(=O)(c1c(F)cccc1Cl)N1CC[C@](O)(C(F)(F)F)C1 ZINC000097380087 323322992 /nfs/dbraw/zinc/32/29/92/323322992.db2.gz HUBIPYZVMISRMM-SNVBAGLBSA-N 0 0 347.717 2.167 40 0 EEABRN O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000097378907 323323010 /nfs/dbraw/zinc/32/30/10/323323010.db2.gz JCBSDIOGNQEXTQ-UKRRQHHQSA-N 0 0 327.388 2.346 40 0 EEABRN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000184004888 323416836 /nfs/dbraw/zinc/41/68/36/323416836.db2.gz XREFKZZEZHNSPC-YGRLFVJLSA-N 0 0 344.333 2.130 40 0 EEABRN CN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000195579953 323515455 /nfs/dbraw/zinc/51/54/55/323515455.db2.gz XGDOOIWTBFFXDA-GFCCVEGCSA-N 0 0 337.363 2.448 40 0 EEABRN C[N@H+](CC(=O)[O-])C1CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000580430526 324060690 /nfs/dbraw/zinc/06/06/90/324060690.db2.gz JFTLEVRHQRFUPB-UHFFFAOYSA-N 0 0 340.807 2.050 40 0 EEABRN CN1CCN(c2ncc(NC(=O)CCCc3ccccc3)cn2)CC1 ZINC000085555686 462552985 /nfs/dbraw/zinc/55/29/85/462552985.db2.gz OMDDXOOSFFBUQM-UHFFFAOYSA-N 0 0 339.443 2.190 40 0 EEABRN CC(=O)Nc1ccc(C)cc1NCC(=O)Nc1c(C)nn(C)c1C ZINC000086205623 462567682 /nfs/dbraw/zinc/56/76/82/462567682.db2.gz SBWDKSSNBYLYPC-UHFFFAOYSA-N 0 0 329.404 2.354 40 0 EEABRN O=C1CN=C(Nc2ccc(F)cc2)N1c1ccc2c(c1)OCCO2 ZINC000001360540 462580637 /nfs/dbraw/zinc/58/06/37/462580637.db2.gz DNBPBCAOSDFKOE-UHFFFAOYSA-N 0 0 327.315 2.412 40 0 EEABRN O=C(COc1ccc(Cl)cc1)OCCNC(=O)c1cccnc1 ZINC000002679806 462599438 /nfs/dbraw/zinc/59/94/38/462599438.db2.gz PLEGWFYXMSZXFG-UHFFFAOYSA-N 0 0 334.759 2.087 40 0 EEABRN NC(=O)Cc1ccccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000045723681 462610783 /nfs/dbraw/zinc/61/07/83/462610783.db2.gz BXVAQBPEWJYLTJ-HNNXBMFYSA-N 0 0 325.368 2.360 40 0 EEABRN C[C@H]1CN(c2ncc3c(=O)n(-c4ccc(F)cc4)cc-3[nH]2)C[C@H](C)O1 ZINC000046087055 462645958 /nfs/dbraw/zinc/64/59/58/462645958.db2.gz NFQUWXHYQDVPTP-RYUDHWBXSA-N 0 0 342.374 2.390 40 0 EEABRN Cn1cc(C(N)=O)cc1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000088809408 462648433 /nfs/dbraw/zinc/64/84/33/462648433.db2.gz WHXPLNMRMCGVMC-UHFFFAOYSA-N 0 0 343.314 2.275 40 0 EEABRN Cc1cccc(-c2nnc(SCC(=O)Nc3nccs3)n2N)c1 ZINC000005257247 462652200 /nfs/dbraw/zinc/65/22/00/462652200.db2.gz YCVMWZWFCCENAN-UHFFFAOYSA-N 0 0 346.441 2.155 40 0 EEABRN COC(=O)[C@](O)(c1ccc(NC(=O)c2ccco2)cc1)C(F)(F)F ZINC000005355212 462657409 /nfs/dbraw/zinc/65/74/09/462657409.db2.gz AYYKUZNZEXBEAX-CQSZACIVSA-N 0 0 343.257 2.455 40 0 EEABRN COC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc3ccccc3c12 ZINC000005518029 462661295 /nfs/dbraw/zinc/66/12/95/462661295.db2.gz MCJIGHRKCJOCSS-VBQJREDUSA-N 0 0 328.393 2.256 40 0 EEABRN COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)c(C)c1 ZINC000075162000 462688784 /nfs/dbraw/zinc/68/87/84/462688784.db2.gz IYQGEBNINUVLOU-UHFFFAOYSA-N 0 0 343.387 2.274 40 0 EEABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006945772 462714397 /nfs/dbraw/zinc/71/43/97/462714397.db2.gz GFLDENNNUYQSIK-SNVBAGLBSA-N 0 0 349.836 2.359 40 0 EEABRN CC(C)(C)OC(=O)N1CCCN(c2nc3ccccc3[nH]c2=O)CC1 ZINC000075629461 462741091 /nfs/dbraw/zinc/74/10/91/462741091.db2.gz MDNJETHQPKAEMI-UHFFFAOYSA-N 0 0 344.415 2.370 40 0 EEABRN Cc1cccc(NC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000089925888 462743626 /nfs/dbraw/zinc/74/36/26/462743626.db2.gz XVFLHASZWPXSGU-GOSISDBHSA-N 0 0 342.443 2.113 40 0 EEABRN C[C@H]1CS(=O)(=O)CCN1Cc1ccccc1OCC(F)(F)F ZINC000075765448 462757655 /nfs/dbraw/zinc/75/76/55/462757655.db2.gz LRXFOQBJGIXDLR-NSHDSACASA-N 0 0 337.363 2.247 40 0 EEABRN O=C(COc1ccccc1)NCc1cccc(CN2CCOCC2)c1 ZINC000047227899 462757681 /nfs/dbraw/zinc/75/76/81/462757681.db2.gz OCZMCCHYEAGJKJ-UHFFFAOYSA-N 0 0 340.423 2.214 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000010041096 462812078 /nfs/dbraw/zinc/81/20/78/462812078.db2.gz XAMUIAXAUMFEML-AWEZNQCLSA-N 0 0 332.425 2.012 40 0 EEABRN Cc1cc(S(=O)(=O)NCCNC(=O)c2cccs2)sc1C ZINC000091039477 462823295 /nfs/dbraw/zinc/82/32/95/462823295.db2.gz RJAPVGPQKPBKCE-UHFFFAOYSA-N 0 0 344.483 2.135 40 0 EEABRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)NCc1cccnc1 ZINC000076825682 462914173 /nfs/dbraw/zinc/91/41/73/462914173.db2.gz OGYFZDKYCSWOSB-UHFFFAOYSA-N 0 0 325.821 2.201 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1 ZINC000015011193 462937971 /nfs/dbraw/zinc/93/79/71/462937971.db2.gz GRYRRRWCSUZXBO-UHFFFAOYSA-N 0 0 340.351 2.467 40 0 EEABRN Cc1csc2nc3n(c(=O)c12)CCN(Cc1ccccn1)CC3 ZINC000019240286 463015263 /nfs/dbraw/zinc/01/52/63/463015263.db2.gz NRUYYYLRDGJCCN-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN COCC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693094 463019256 /nfs/dbraw/zinc/01/92/56/463019256.db2.gz OBIPMSGNTIUSPE-CQSZACIVSA-N 0 0 347.802 2.343 40 0 EEABRN CCCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 ZINC000019818770 463022819 /nfs/dbraw/zinc/02/28/19/463022819.db2.gz NCOHSRYQAYMSCR-UHFFFAOYSA-N 0 0 329.400 2.430 40 0 EEABRN CC(C)OC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000095101337 463066786 /nfs/dbraw/zinc/06/67/86/463066786.db2.gz HSCYOJPAYHEMHB-JCKWVBRZSA-N 0 0 348.374 2.261 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)CCOc1ccccc1)C2 ZINC000096039219 463143630 /nfs/dbraw/zinc/14/36/30/463143630.db2.gz ZINYLGWPEDZWKI-IEBWSBKVSA-N 0 0 333.428 2.500 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041382 463145986 /nfs/dbraw/zinc/14/59/86/463145986.db2.gz ACMKWILPTXUUFD-SZMVWBNQSA-N 0 0 341.411 2.009 40 0 EEABRN CCc1ncc([C@@H]2N(C)C(=O)c3ccccc3N2CC(=O)NC)s1 ZINC000078754851 463146901 /nfs/dbraw/zinc/14/69/01/463146901.db2.gz ZNJNHCNKHGTKAW-MRXNPFEDSA-N 0 0 344.440 2.042 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042532 463147763 /nfs/dbraw/zinc/14/77/63/463147763.db2.gz ZMZHUBPPWZEOPY-KURKYZTESA-N 0 0 328.412 2.467 40 0 EEABRN O=C(N1CCCC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096044174 463149479 /nfs/dbraw/zinc/14/94/79/463149479.db2.gz NXWPLVJOKOHZOU-HNNXBMFYSA-N 0 0 341.415 2.005 40 0 EEABRN C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1cccs1 ZINC000096062069 463161345 /nfs/dbraw/zinc/16/13/45/463161345.db2.gz PNCIUEGLYAKSET-LBPRGKRZSA-N 0 0 327.413 2.406 40 0 EEABRN CCCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096065048 463162350 /nfs/dbraw/zinc/16/23/50/463162350.db2.gz MYXDDRMWTGHBJK-HZPDHXFCSA-N 0 0 331.478 2.024 40 0 EEABRN c1ccc(OC[C@H]2CC3(CO2)CCN(c2ncccn2)CC3)nc1 ZINC000096106209 463173770 /nfs/dbraw/zinc/17/37/70/463173770.db2.gz GCNBFEPRUJGDNR-OAHLLOKOSA-N 0 0 326.400 2.326 40 0 EEABRN O=C(C1=CCCCC1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108854 463177445 /nfs/dbraw/zinc/17/74/45/463177445.db2.gz CIPUYMUTDFBONI-APWZRJJASA-N 0 0 328.412 2.436 40 0 EEABRN Cc1cc(CNC(=O)COc2ccc(Cl)cc2)nc(N(C)C)n1 ZINC000096121319 463182550 /nfs/dbraw/zinc/18/25/50/463182550.db2.gz ZQZQLXJUDVMWNQ-UHFFFAOYSA-N 0 0 334.807 2.200 40 0 EEABRN Cn1ccnc1CN1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC000096157826 463189536 /nfs/dbraw/zinc/18/95/36/463189536.db2.gz WBPALRLESYYDJV-UHFFFAOYSA-N 0 0 330.476 2.425 40 0 EEABRN COc1cccc(CN2CC[C@@]3(CCN(c4ncccn4)C3)C2=O)c1 ZINC000096159795 463190604 /nfs/dbraw/zinc/19/06/04/463190604.db2.gz FHANBQVDZLHHGA-IBGZPJMESA-N 0 0 338.411 2.114 40 0 EEABRN C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135760515 463196569 /nfs/dbraw/zinc/19/65/69/463196569.db2.gz VYKCQKXSVLXOJQ-GXTWGEPZSA-N 0 0 331.420 2.354 40 0 EEABRN Cc1nnc(C[C@@H]2CO[C@@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]23)o1 ZINC000096215597 463213303 /nfs/dbraw/zinc/21/33/03/463213303.db2.gz ISSDWPYHOBSSOK-LRLQBAPXSA-N 0 0 345.424 2.169 40 0 EEABRN O=C(c1cnccn1)N1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215759 463213590 /nfs/dbraw/zinc/21/35/90/463213590.db2.gz KNIGDWPLSQOEQV-QGZVFWFLSA-N 0 0 343.456 2.061 40 0 EEABRN Cc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)o1 ZINC000096244849 463225679 /nfs/dbraw/zinc/22/56/79/463225679.db2.gz XQUNVHVWEAFETH-YOEHRIQHSA-N 0 0 332.425 2.093 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261555 463231853 /nfs/dbraw/zinc/23/18/53/463231853.db2.gz YVBIJYFYUJKHPJ-RVKKMQEKSA-N 0 0 334.464 2.102 40 0 EEABRN O=S1(=O)CC[C@@H](N(Cc2ccc3c(c2)CCC3)C[C@@H]2CCCO2)C1 ZINC000096406592 463240741 /nfs/dbraw/zinc/24/07/41/463240741.db2.gz RDXMTOSXNFFUCC-MOPGFXCFSA-N 0 0 349.496 2.343 40 0 EEABRN C[S@@](=O)CCNC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000096408780 463241736 /nfs/dbraw/zinc/24/17/36/463241736.db2.gz BVLGDDBNIIBHPF-BUXKBTBVSA-N 0 0 345.262 2.114 40 0 EEABRN CC(C)COC[C@@H](C)NC(=O)NCc1cccc(-n2cncn2)c1 ZINC000096410470 463244229 /nfs/dbraw/zinc/24/42/29/463244229.db2.gz NCMGNHCNHKBORY-CQSZACIVSA-N 0 0 331.420 2.128 40 0 EEABRN O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2nnnn2C2CC2)C1 ZINC000096414975 463246813 /nfs/dbraw/zinc/24/68/13/463246813.db2.gz QRQPWMYVXBTGIN-ZDUSSCGKSA-N 0 0 329.379 2.242 40 0 EEABRN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC1CCSCC1 ZINC000096418472 463250385 /nfs/dbraw/zinc/25/03/85/463250385.db2.gz YTMVJBVSBDBWSX-KRWDZBQOSA-N 0 0 334.485 2.289 40 0 EEABRN c1cc(N2CCC(OC3CCOCC3)CC2)nn2c1nnc2C1CC1 ZINC000096419445 463250788 /nfs/dbraw/zinc/25/07/88/463250788.db2.gz JBXOXNCYSMWQLN-UHFFFAOYSA-N 0 0 343.431 2.166 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC000096421854 463252537 /nfs/dbraw/zinc/25/25/37/463252537.db2.gz MKSPVXPPOGUWPT-CQSZACIVSA-N 0 0 326.759 2.242 40 0 EEABRN Cc1ccc(N2CC[C@@H](C(=O)NCc3ccccc3CO)C2=O)cc1 ZINC000096421674 463252947 /nfs/dbraw/zinc/25/29/47/463252947.db2.gz BAEUVSHOMCYZID-SFHVURJKSA-N 0 0 338.407 2.157 40 0 EEABRN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096423929 463254159 /nfs/dbraw/zinc/25/41/59/463254159.db2.gz XTUZHNFJXYHBRL-BETUJISGSA-N 0 0 338.411 2.177 40 0 EEABRN C[C@H](c1ccco1)N(C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096427122 463256833 /nfs/dbraw/zinc/25/68/33/463256833.db2.gz JKFPYEUVWFUDNA-IUODEOHRSA-N 0 0 340.379 2.318 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000096429391 463259538 /nfs/dbraw/zinc/25/95/38/463259538.db2.gz NJDBCMOWQCIBIK-LLVKDONJSA-N 0 0 349.398 2.324 40 0 EEABRN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430630 463260468 /nfs/dbraw/zinc/26/04/68/463260468.db2.gz JZHYWRKROBXFPW-QGZVFWFLSA-N 0 0 348.418 2.493 40 0 EEABRN Cc1ccc(N2CC[C@H](SCc3nnnn3C3CC3)C2=O)cc1 ZINC000096433413 463262593 /nfs/dbraw/zinc/26/25/93/463262593.db2.gz MXXMLNUBTSHGNN-AWEZNQCLSA-N 0 0 329.429 2.355 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)NC[C@](C)(O)c2cnn(C)c2)cc1 ZINC000096437414 463264862 /nfs/dbraw/zinc/26/48/62/463264862.db2.gz PSFLTRVZRLGTKE-SFHVURJKSA-N 0 0 340.383 2.021 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)OCCC(=O)N(C)C ZINC000096441888 463266785 /nfs/dbraw/zinc/26/67/85/463266785.db2.gz UKQQFCVTOOPZPV-UHFFFAOYSA-N 0 0 331.210 2.467 40 0 EEABRN CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443886 463269558 /nfs/dbraw/zinc/26/95/58/463269558.db2.gz DVBJXHJNHRVPEC-RQJHMYQMSA-N 0 0 344.380 2.162 40 0 EEABRN COC[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(C)o1 ZINC000096445142 463269591 /nfs/dbraw/zinc/26/95/91/463269591.db2.gz LWFOSJFRQDFLFV-OAHLLOKOSA-N 0 0 344.415 2.098 40 0 EEABRN CCN(Cc1cc(Br)ccc1F)C(=O)Cn1ccnn1 ZINC000096454929 463275604 /nfs/dbraw/zinc/27/56/04/463275604.db2.gz KUYLJUZUELKRND-UHFFFAOYSA-N 0 0 341.184 2.228 40 0 EEABRN C[C@H]1COCCN1C(=O)NCc1nccn1CCCc1ccccc1 ZINC000096459723 463276656 /nfs/dbraw/zinc/27/66/56/463276656.db2.gz YUBCLIKLUXWGPU-INIZCTEOSA-N 0 0 342.443 2.446 40 0 EEABRN C[C@H](NS(C)(=O)=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000096472937 463279064 /nfs/dbraw/zinc/27/90/64/463279064.db2.gz SFIJSZRWQJQNDY-ZETCQYMHSA-N 0 0 346.206 2.109 40 0 EEABRN O=S(=O)(CC[C@H]1CCCO1)NCc1ccccc1N1CCCC1 ZINC000096472485 463279245 /nfs/dbraw/zinc/27/92/45/463279245.db2.gz PPOVPKQFFSRAJS-MRXNPFEDSA-N 0 0 338.473 2.275 40 0 EEABRN CC(C)Oc1cccc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)n1 ZINC000096484723 463282757 /nfs/dbraw/zinc/28/27/57/463282757.db2.gz JRRSGTDSAAQFSJ-UHFFFAOYSA-N 0 0 326.360 2.245 40 0 EEABRN C[C@H](NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCOC1 ZINC000096486333 463283630 /nfs/dbraw/zinc/28/36/30/463283630.db2.gz QZVYCVUHOBYGBC-STQMWFEESA-N 0 0 332.379 2.236 40 0 EEABRN Cc1nnc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C ZINC000096485437 463284154 /nfs/dbraw/zinc/28/41/54/463284154.db2.gz AGVKBDSQJWHLRN-AWEZNQCLSA-N 0 0 338.358 2.298 40 0 EEABRN CC[C@@H](CSC)NC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000096490581 463286295 /nfs/dbraw/zinc/28/62/95/463286295.db2.gz KVYJKIUWEUCWIM-RYUDHWBXSA-N 0 0 326.441 2.240 40 0 EEABRN Cc1cccc([C@@H](C)CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000096500347 463290024 /nfs/dbraw/zinc/29/00/24/463290024.db2.gz PFLHPOGYBHSOOQ-LSDHHAIUSA-N 0 0 329.444 2.409 40 0 EEABRN CCN1CC[C@@H](NC(=O)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501404 463291337 /nfs/dbraw/zinc/29/13/37/463291337.db2.gz XJTIVDSEXJZSJF-CJNGLKHVSA-N 0 0 330.350 2.392 40 0 EEABRN C[C@H](CN(C)C(=O)NCc1nnc2ccccn21)c1nccs1 ZINC000096502046 463292915 /nfs/dbraw/zinc/29/29/15/463292915.db2.gz MACPHOCJLZRWCZ-LLVKDONJSA-N 0 0 330.417 2.131 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(N)cc1 ZINC000096519844 463294323 /nfs/dbraw/zinc/29/43/23/463294323.db2.gz IHAQBWKDZVIYQZ-NXEZZACHSA-N 0 0 342.642 2.024 40 0 EEABRN O=C(CN1CC(c2nc(C3CC3)no2)C1)Nc1ccc(F)cc1F ZINC000070636977 463377660 /nfs/dbraw/zinc/37/76/60/463377660.db2.gz OBEPJXSNHWDDQR-UHFFFAOYSA-N 0 0 334.326 2.263 40 0 EEABRN COC(=O)c1cc(OC(=O)c2cccc(Br)c2)n(C)n1 ZINC000033475972 463422537 /nfs/dbraw/zinc/42/25/37/463422537.db2.gz YLDSBLLIEFFKKP-UHFFFAOYSA-N 0 0 339.145 2.188 40 0 EEABRN CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033645546 463423455 /nfs/dbraw/zinc/42/34/55/463423455.db2.gz NYLIZCGHYUIJMM-QMMMGPOBSA-N 0 0 339.244 2.185 40 0 EEABRN O=C(NC1CC1)c1cc(N2CCC(CO)CC2)nc2ccccc21 ZINC000071954751 463477886 /nfs/dbraw/zinc/47/78/86/463477886.db2.gz DKIVNUSRHDEPKG-UHFFFAOYSA-N 0 0 325.412 2.336 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)Cc3ccccc32)c(C)o1 ZINC000081749602 463486907 /nfs/dbraw/zinc/48/69/07/463486907.db2.gz VXRTYHFVLSXLDB-LLVKDONJSA-N 0 0 348.424 2.335 40 0 EEABRN COCCC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000072327758 463509366 /nfs/dbraw/zinc/50/93/66/463509366.db2.gz POPGMGDTBRBTCH-DNVCBOLYSA-N 0 0 346.427 2.044 40 0 EEABRN O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)c1ccncc1 ZINC000072340737 463509774 /nfs/dbraw/zinc/50/97/74/463509774.db2.gz KJTPHYHZDZMMRP-UHFFFAOYSA-N 0 0 344.378 2.159 40 0 EEABRN O=C(NC1CC1)[C@H]1C[C@@H]2CC[C@H]1C[C@]21Nc2ccccc2C(=O)N1 ZINC000072327028 463510062 /nfs/dbraw/zinc/51/00/62/463510062.db2.gz NJWAOMUFCVVERZ-CIMWUQIDSA-N 0 0 325.412 2.253 40 0 EEABRN CCOc1ccc(Cn2nnnc2Cc2ccc(OC)c(F)c2)nc1 ZINC000083597080 463552410 /nfs/dbraw/zinc/55/24/10/463552410.db2.gz VMNMJYADEDWSRS-UHFFFAOYSA-N 0 0 343.362 2.254 40 0 EEABRN CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cn3nc(C)cc3C)nc21 ZINC000042382908 463560899 /nfs/dbraw/zinc/56/08/99/463560899.db2.gz AFCDQJCVSOQYPQ-LLVKDONJSA-N 0 0 348.428 2.188 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000107772928 463582251 /nfs/dbraw/zinc/58/22/51/463582251.db2.gz PKKWFROPYGJNRV-KBPBESRZSA-N 0 0 326.462 2.373 40 0 EEABRN Cc1ccsc1CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000084533409 463610738 /nfs/dbraw/zinc/61/07/38/463610738.db2.gz MVAMPRSXZKBXIF-UHFFFAOYSA-N 0 0 342.442 2.138 40 0 EEABRN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1C(F)(F)F ZINC000084621810 463618179 /nfs/dbraw/zinc/61/81/79/463618179.db2.gz AFPHHODEZGKMSS-ZYHUDNBSSA-N 0 0 344.333 2.258 40 0 EEABRN CCn1c2ccccc2n(CCS(=O)(=O)Oc2ccccc2)c1=O ZINC000044349093 463676076 /nfs/dbraw/zinc/67/60/76/463676076.db2.gz SCWJCMJEOBPSQU-UHFFFAOYSA-N 0 0 346.408 2.232 40 0 EEABRN O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1c2c(sc1-n1cnnn1)CCC2 ZINC000170612179 463683935 /nfs/dbraw/zinc/68/39/35/463683935.db2.gz JTAVROOVMXUZJO-TUAOUCFPSA-N 0 0 341.440 2.155 40 0 EEABRN COC(=O)c1cc2ccccc2cc1OCC(=O)NC[C@H]1CCCO1 ZINC000044865876 463696443 /nfs/dbraw/zinc/69/64/43/463696443.db2.gz KHOAZLGGZKOPRL-OAHLLOKOSA-N 0 0 343.379 2.300 40 0 EEABRN COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2ccncn2)c1 ZINC000257208440 463755901 /nfs/dbraw/zinc/75/59/01/463755901.db2.gz BMDXJOJZRUGEDK-MRXNPFEDSA-N 0 0 335.367 2.079 40 0 EEABRN O=C(C1CCCC1)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257238949 463757900 /nfs/dbraw/zinc/75/79/00/463757900.db2.gz HNFMQYXKYUKWPE-LJQANCHMSA-N 0 0 342.443 2.107 40 0 EEABRN CC1(c2ncc(Cl)s2)CCN(CC(=O)N2CCOCC2)CC1 ZINC000257281642 463759992 /nfs/dbraw/zinc/75/99/92/463759992.db2.gz OQHAJCUSYIKBJI-UHFFFAOYSA-N 0 0 343.880 2.009 40 0 EEABRN CN(C(=O)c1cn(C)cn1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257287049 463762684 /nfs/dbraw/zinc/76/26/84/463762684.db2.gz POHHOIWDDAXUSO-KZNAEPCWSA-N 0 0 343.427 2.243 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)n1 ZINC000257292255 463764416 /nfs/dbraw/zinc/76/44/16/463764416.db2.gz QKRMRXRIWWZFSB-ZDUSSCGKSA-N 0 0 344.419 2.321 40 0 EEABRN Cc1c(CCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cnn1C ZINC000257290772 463764668 /nfs/dbraw/zinc/76/46/68/463764668.db2.gz QEHBBWMTQWOMSR-INIZCTEOSA-N 0 0 343.431 2.009 40 0 EEABRN Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CCN1CCc2ccccc21 ZINC000257289825 463765038 /nfs/dbraw/zinc/76/50/38/463765038.db2.gz QAIPHRWAYBJUQG-KRWDZBQOSA-N 0 0 340.427 2.071 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(OC)cc1OC ZINC000257303712 463769892 /nfs/dbraw/zinc/76/98/92/463769892.db2.gz SIKNVLLFIMWXHS-QAPCUYQASA-N 0 0 346.427 2.282 40 0 EEABRN CCCn1nccc1-c1cc(C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257306802 463772542 /nfs/dbraw/zinc/77/25/42/463772542.db2.gz SVYRQJGBISKTAH-HNNXBMFYSA-N 0 0 349.460 2.155 40 0 EEABRN CN(C)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cnccn2)s1 ZINC000257317396 463775151 /nfs/dbraw/zinc/77/51/51/463775151.db2.gz VJOWCKODQGRVFI-LBPRGKRZSA-N 0 0 345.428 2.002 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc(F)cc3)on2)[C@H]1O ZINC000257321981 463778247 /nfs/dbraw/zinc/77/82/47/463778247.db2.gz WEDSRMXFWOPJBY-IIAWOOMASA-N 0 0 334.347 2.091 40 0 EEABRN Cc1cccc(N2CCC[C@H](N(C)C(=O)CCn3ccnc3)C2)n1 ZINC000257339046 463783756 /nfs/dbraw/zinc/78/37/56/463783756.db2.gz YZZKYWPPOHLWLQ-INIZCTEOSA-N 0 0 327.432 2.104 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)s1 ZINC000257337704 463784145 /nfs/dbraw/zinc/78/41/45/463784145.db2.gz YUBBIJBIPWUDMT-CYBMUJFWSA-N 0 0 333.413 2.026 40 0 EEABRN Cc1cc(CC2CCN(C(=O)c3cc(C)nc(=O)[nH]3)CC2)ccn1 ZINC000257336876 463784238 /nfs/dbraw/zinc/78/42/38/463784238.db2.gz YQJZPRVIOYKGIE-UHFFFAOYSA-N 0 0 326.400 2.289 40 0 EEABRN C[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ncon1 ZINC000194532772 463879044 /nfs/dbraw/zinc/87/90/44/463879044.db2.gz AJRHFDNYZYSBIX-CPCISQLKSA-N 0 0 338.161 2.013 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@](=O)[C@H]2CCO[C@@H]2C)cc1 ZINC000194621283 463897918 /nfs/dbraw/zinc/89/79/18/463897918.db2.gz RKSLSAIZMNWTEJ-UYFSRDTQSA-N 0 0 337.485 2.395 40 0 EEABRN O=S(=O)(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CC1 ZINC000186052002 463929083 /nfs/dbraw/zinc/92/90/83/463929083.db2.gz RJOLPTQHKJAKNP-SNVBAGLBSA-N 0 0 334.363 2.366 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000195079657 463987006 /nfs/dbraw/zinc/98/70/06/463987006.db2.gz IGKFLWQQUCKKFP-VHSXEESVSA-N 0 0 336.251 2.464 40 0 EEABRN O=C(N[C@H]1COc2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000195530770 464072012 /nfs/dbraw/zinc/07/20/12/464072012.db2.gz KYEQXUYJPOPEEE-HKUYNNGSSA-N 0 0 338.407 2.137 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1 ZINC000195531719 464072206 /nfs/dbraw/zinc/07/22/06/464072206.db2.gz LNHYOAFGZYPQMV-PBFPGSCMSA-N 0 0 335.423 2.073 40 0 EEABRN CCc1nn(C)c(OC)c1CNc1ccc(C)c(S(C)(=O)=O)c1 ZINC000195555831 464076154 /nfs/dbraw/zinc/07/61/54/464076154.db2.gz IMFIAFXMCHZEQB-UHFFFAOYSA-N 0 0 337.445 2.315 40 0 EEABRN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[C@@H](CC(N)=O)C1 ZINC000195559630 464076407 /nfs/dbraw/zinc/07/64/07/464076407.db2.gz RRDQHFJBUGXCLM-BONVTDFDSA-N 0 0 342.798 2.281 40 0 EEABRN CCc1nnc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)o1 ZINC000195561470 464077540 /nfs/dbraw/zinc/07/75/40/464077540.db2.gz MCWNNNDEPABRGE-YNEHKIRRSA-N 0 0 336.436 2.367 40 0 EEABRN Clc1cccc2c1OCCN2Cc1cnc(N2CCOCC2)nc1 ZINC000195579109 464079883 /nfs/dbraw/zinc/07/98/83/464079883.db2.gz YJMRINQIJYYJPY-UHFFFAOYSA-N 0 0 346.818 2.366 40 0 EEABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222758708 464133686 /nfs/dbraw/zinc/13/36/86/464133686.db2.gz QVGBNPVWDUWNSU-NVXWUHKLSA-N 0 0 332.444 2.355 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccncc1 ZINC000222900487 464134292 /nfs/dbraw/zinc/13/42/92/464134292.db2.gz YNRDAKHAXBTDBU-CYBMUJFWSA-N 0 0 329.375 2.274 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCCSc1n[nH]c(C)n1 ZINC000222952656 464134924 /nfs/dbraw/zinc/13/49/24/464134924.db2.gz MYZBHYIJPIHVPY-UHFFFAOYSA-N 0 0 326.809 2.297 40 0 EEABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C ZINC000223612886 464145128 /nfs/dbraw/zinc/14/51/28/464145128.db2.gz JVMDJANXXHDVGE-IRXDYDNUSA-N 0 0 344.484 2.392 40 0 EEABRN COc1ccc(NC(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000224200263 464150129 /nfs/dbraw/zinc/15/01/29/464150129.db2.gz MMVZKWVQHHCWLA-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224699597 464151488 /nfs/dbraw/zinc/15/14/88/464151488.db2.gz AMJZWYXABRPZQR-CHWSQXEVSA-N 0 0 342.461 2.155 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000225225041 464154133 /nfs/dbraw/zinc/15/41/33/464154133.db2.gz WLTCMLGKDOJCEK-NWDGAFQWSA-N 0 0 330.425 2.141 40 0 EEABRN COc1cncc(O[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000225497482 464166229 /nfs/dbraw/zinc/16/62/29/464166229.db2.gz QFHPBNMESVOQAH-MRXNPFEDSA-N 0 0 341.411 2.488 40 0 EEABRN Cc1c(O)cccc1C(=O)N1CCN(c2ncncc2Cl)CC1 ZINC000225635634 464177103 /nfs/dbraw/zinc/17/71/03/464177103.db2.gz XNUCLPHJKDBWEL-UHFFFAOYSA-N 0 0 332.791 2.106 40 0 EEABRN COc1ccc2cc(S(=O)(=O)NCCCn3ccnc3)ccc2c1 ZINC000225797487 464182391 /nfs/dbraw/zinc/18/23/91/464182391.db2.gz WVQBSAWEOVIVLC-UHFFFAOYSA-N 0 0 345.424 2.414 40 0 EEABRN Cc1cc(O)cc(=O)n1CC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000271269785 464290975 /nfs/dbraw/zinc/29/09/75/464290975.db2.gz ANEZLLQBQSJQNM-UHFFFAOYSA-N 0 0 344.386 2.141 40 0 EEABRN C[C@H]1OCCN(C(=O)CCc2cscn2)[C@@H]1c1nc(C2CC2)no1 ZINC000284718373 464310066 /nfs/dbraw/zinc/31/00/66/464310066.db2.gz APYLQUXDZWTMHU-YGRLFVJLSA-N 0 0 348.428 2.325 40 0 EEABRN Cc1noc(C(C)(C)NC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)n1 ZINC000285020809 464428455 /nfs/dbraw/zinc/42/84/55/464428455.db2.gz HMFJBEJHJMILSW-LLVKDONJSA-N 0 0 348.407 2.062 40 0 EEABRN c1nn(Cc2nnc3n2CCCC3)cc1NCc1cnn2ccccc12 ZINC000240786148 464449512 /nfs/dbraw/zinc/44/95/12/464449512.db2.gz IAXGGHDRHTZCSP-UHFFFAOYSA-N 0 0 348.414 2.119 40 0 EEABRN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC[C@H]1CCCO1 ZINC000189178307 464451334 /nfs/dbraw/zinc/45/13/34/464451334.db2.gz PNISYISJJOPHPV-CZUORRHYSA-N 0 0 327.384 2.200 40 0 EEABRN CCc1nsc(N2CCCN(Cc3ncnn3C(C)(C)C)CC2)n1 ZINC000241368051 464451557 /nfs/dbraw/zinc/45/15/57/464451557.db2.gz MJSHEMPNTQOAFT-UHFFFAOYSA-N 0 0 349.508 2.159 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)c1F ZINC000244955834 464465699 /nfs/dbraw/zinc/46/56/99/464465699.db2.gz GBTNXJHAYQEPKG-LLVKDONJSA-N 0 0 346.362 2.337 40 0 EEABRN COc1cc(=O)n2c(c1C(=O)Nc1ccc(C(C)=O)cc1)CCC2 ZINC000245070529 464467255 /nfs/dbraw/zinc/46/72/55/464467255.db2.gz QNUNSPMEODRLBZ-UHFFFAOYSA-N 0 0 326.352 2.258 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000245344006 464470847 /nfs/dbraw/zinc/47/08/47/464470847.db2.gz WXJDANJWVHAQRA-SNPRPXQTSA-N 0 0 338.398 2.295 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C2CC2)C12CCCC2 ZINC000245339060 464471301 /nfs/dbraw/zinc/47/13/01/464471301.db2.gz QFQCJKYXHSXMQL-BZUAXINKSA-N 0 0 334.460 2.241 40 0 EEABRN C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000189904188 464561980 /nfs/dbraw/zinc/56/19/80/464561980.db2.gz ZQGHOJQJUCZUQW-QONUSYMYSA-N 0 0 328.400 2.373 40 0 EEABRN COCc1noc(CN2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000182272623 464616466 /nfs/dbraw/zinc/61/64/66/464616466.db2.gz BTDSAQXXRIRRCT-UHFFFAOYSA-N 0 0 342.443 2.491 40 0 EEABRN O=C(c1ccsc1)N1Cc2cncn2[C@@H](COc2ncccn2)C1 ZINC000247871880 464710816 /nfs/dbraw/zinc/71/08/16/464710816.db2.gz RCYYPODGDXLHHT-CQSZACIVSA-N 0 0 341.396 2.011 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000247895118 464713141 /nfs/dbraw/zinc/71/31/41/464713141.db2.gz ZRVPDTPITMHVLD-INIZCTEOSA-N 0 0 335.400 2.096 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CCO3)o1 ZINC000247903085 464713435 /nfs/dbraw/zinc/71/34/35/464713435.db2.gz JCHLDIZSUPUTMH-CQSZACIVSA-N 0 0 328.368 2.436 40 0 EEABRN CN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000190915066 464744922 /nfs/dbraw/zinc/74/49/22/464744922.db2.gz PHCKABNUKHPFGR-UHFFFAOYSA-N 0 0 338.289 2.093 40 0 EEABRN C[C@H](CNC(=O)N1CCc2cc(Cl)ccc2C1)N1CCOCC1 ZINC000190979006 464754125 /nfs/dbraw/zinc/75/41/25/464754125.db2.gz MDKGKSSXTOZLCU-CYBMUJFWSA-N 0 0 337.851 2.128 40 0 EEABRN Cc1ccc(CN2CC[C@H](NC(=O)CCc3ccncc3)C2=O)cc1 ZINC000192293027 464900119 /nfs/dbraw/zinc/90/01/19/464900119.db2.gz CFMDCXZHXOFWRM-SFHVURJKSA-N 0 0 337.423 2.240 40 0 EEABRN CCn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cnoc1C)CC2 ZINC000252007850 464951362 /nfs/dbraw/zinc/95/13/62/464951362.db2.gz PWZNBOIOOJFXES-INIZCTEOSA-N 0 0 344.415 2.366 40 0 EEABRN CN(CCCO)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000252478883 464959504 /nfs/dbraw/zinc/95/95/04/464959504.db2.gz AWTOUPDSOVZJTM-LBPRGKRZSA-N 0 0 345.365 2.308 40 0 EEABRN CC1(C)NC(=O)N(CCCSCC(=O)Nc2ccccc2)C1=O ZINC000252482104 464960822 /nfs/dbraw/zinc/96/08/22/464960822.db2.gz CYJBSYLDOGBSSC-UHFFFAOYSA-N 0 0 335.429 2.079 40 0 EEABRN COc1cc(-c2noc([C@@H]3COCCN3CC(F)(F)F)n2)ccn1 ZINC000252496640 464969817 /nfs/dbraw/zinc/96/98/17/464969817.db2.gz PNQJAQMSSCJBQP-JTQLQIEISA-N 0 0 344.293 2.076 40 0 EEABRN C[C@@H](NC(=O)NC[C@H]1CCc2ccccc2C1)c1nnnn1C1CC1 ZINC000252509550 464975585 /nfs/dbraw/zinc/97/55/85/464975585.db2.gz YQIXFUXTMUMXTH-OLZOCXBDSA-N 0 0 340.431 2.173 40 0 EEABRN CCOc1cc(NC2CCN(C(=O)NCc3ccoc3)CC2)ncn1 ZINC000184485260 464982938 /nfs/dbraw/zinc/98/29/38/464982938.db2.gz DCJBDLNKYOTGME-UHFFFAOYSA-N 0 0 345.403 2.254 40 0 EEABRN Cc1c([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(N)=O)cnn1C ZINC000253397866 465002151 /nfs/dbraw/zinc/00/21/51/465002151.db2.gz DOLOCZVNOGSDTQ-PWSUYJOCSA-N 0 0 346.456 2.185 40 0 EEABRN COC(=O)c1nc([C@H]2CCCN2c2nccn3cnnc23)sc1C ZINC000253431433 465014600 /nfs/dbraw/zinc/01/46/00/465014600.db2.gz RUNCJIPCGSRJLR-SNVBAGLBSA-N 0 0 344.400 2.017 40 0 EEABRN CC[C@@H](C)Oc1cc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)ccn1 ZINC000332257921 466474685 /nfs/dbraw/zinc/47/46/85/466474685.db2.gz AJCRMFGKYLOPDE-RISCZKNCSA-N 0 0 346.387 2.164 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCNc1ccccn1)N1CCCC1 ZINC000306136908 466490957 /nfs/dbraw/zinc/49/09/57/466490957.db2.gz QGKBYRDQVNGHKT-HNNXBMFYSA-N 0 0 330.432 2.190 40 0 EEABRN c1cc2n(n1)C[C@@H](CNc1ncccn1)CN(Cc1ccccc1)C2 ZINC000306141275 466494035 /nfs/dbraw/zinc/49/40/35/466494035.db2.gz VQLAOVWTTUNMRJ-KRWDZBQOSA-N 0 0 334.427 2.417 40 0 EEABRN CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408597954 466681736 /nfs/dbraw/zinc/68/17/36/466681736.db2.gz WYQOCRIPNOUVDM-KRWDZBQOSA-N 0 0 346.452 2.102 40 0 EEABRN CCCN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000409236041 466686527 /nfs/dbraw/zinc/68/65/27/466686527.db2.gz FDHGXNLJDRDISK-NTEUORMPSA-N 0 0 341.367 2.117 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)[nH]c1=O ZINC000390833829 467413954 /nfs/dbraw/zinc/41/39/54/467413954.db2.gz NQPSPXOOYPARRU-UHFFFAOYSA-N 0 0 342.398 2.053 40 0 EEABRN Cc1noc(C)c1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000390834492 467415178 /nfs/dbraw/zinc/41/51/78/467415178.db2.gz ZTKYLZIBSHSUOO-UHFFFAOYSA-N 0 0 341.327 2.771 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 ZINC000575405437 468141649 /nfs/dbraw/zinc/14/16/49/468141649.db2.gz HZLHNIQXRDYIGQ-SNPRPXQTSA-N 0 0 329.375 2.468 40 0 EEABRN CCN(C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575421372 468143782 /nfs/dbraw/zinc/14/37/82/468143782.db2.gz PLAZFOGHFMPBPF-QZTJIDSGSA-N 0 0 345.464 2.256 40 0 EEABRN CC(C)(C)n1nnc(CS(=O)(=O)Cc2ccccc2Cl)n1 ZINC000585090630 468962276 /nfs/dbraw/zinc/96/22/76/468962276.db2.gz FGISISYEYPZQTE-UHFFFAOYSA-N 0 0 328.825 2.197 40 0 EEABRN Cc1cc(CN2CCn3c(CCOCC4CC4)cnc3[C@H]2C)[nH]n1 ZINC000585097339 468965412 /nfs/dbraw/zinc/96/54/12/468965412.db2.gz IWBIVCVSAOVIQY-CQSZACIVSA-N 0 0 329.448 2.461 40 0 EEABRN O=C(C[C@@H]1Cn2cccc2CN(Cc2ccco2)C1)N1CCCO1 ZINC000585099259 468967748 /nfs/dbraw/zinc/96/77/48/468967748.db2.gz ZFDUTJFLSTWPKX-HNNXBMFYSA-N 0 0 329.400 2.267 40 0 EEABRN Cc1cc(NC(=O)NCc2cc(Br)no2)c(C)cn1 ZINC000585140606 468988839 /nfs/dbraw/zinc/98/88/39/468988839.db2.gz HSRQNDHXSJSDCG-UHFFFAOYSA-N 0 0 325.166 2.193 40 0 EEABRN CN1CCCC[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)C1=O ZINC000585140748 468989694 /nfs/dbraw/zinc/98/96/94/468989694.db2.gz KJTRUTKDPHULRS-QFBILLFUSA-N 0 0 330.428 2.019 40 0 EEABRN CCOC(=O)c1cn(CCNc2ncnc3nc(Cl)ccc32)cn1 ZINC000585141499 468990647 /nfs/dbraw/zinc/99/06/47/468990647.db2.gz ANHZVLDQGTVIBR-UHFFFAOYSA-N 0 0 346.778 2.164 40 0 EEABRN CC(=O)N[C@H]1CCCN(Cc2cc[nH]n2)[C@H]1Cc1ccc(F)cc1 ZINC000585269387 468997804 /nfs/dbraw/zinc/99/78/04/468997804.db2.gz RKCNKKQJGDVIRT-ROUUACIJSA-N 0 0 330.407 2.261 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585270902 468997938 /nfs/dbraw/zinc/99/79/38/468997938.db2.gz CMZGRLURXWCYQJ-ROUUACIJSA-N 0 0 327.428 2.327 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)nc1 ZINC000585277488 469002483 /nfs/dbraw/zinc/00/24/83/469002483.db2.gz VPIWYFHYMDRKGJ-IBGZPJMESA-N 0 0 344.386 2.114 40 0 EEABRN CO[C@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1Cc1ccccc1 ZINC000585278901 469004498 /nfs/dbraw/zinc/00/44/98/469004498.db2.gz IMZDZMPIKPEZEV-MSOLQXFVSA-N 0 0 327.428 2.379 40 0 EEABRN CC(C)CO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)C1 ZINC000663712748 471487457 /nfs/dbraw/zinc/48/74/57/471487457.db2.gz SLEXKZXQRCNFIJ-HNNXBMFYSA-N 0 0 334.464 2.079 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2F)c1 ZINC000223899554 485533919 /nfs/dbraw/zinc/53/39/19/485533919.db2.gz PJPSMLBSDPIBAF-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN Cc1ccc(CN(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000242837425 485536288 /nfs/dbraw/zinc/53/62/88/485536288.db2.gz FTYRAYPVQKYNFU-HNNXBMFYSA-N 0 0 338.473 2.015 40 0 EEABRN O=C(NCC(F)(F)F)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390827569 485667843 /nfs/dbraw/zinc/66/78/43/485667843.db2.gz HWGUJAQLJPLFKZ-UHFFFAOYSA-N 0 0 336.317 2.258 40 0 EEABRN CC(=O)N1CCC(C(=O)NCc2ccnc(-c3ccncc3)c2)CC1 ZINC000390826172 485668002 /nfs/dbraw/zinc/66/80/02/485668002.db2.gz DPHIDBBYUUDJSH-UHFFFAOYSA-N 0 0 338.411 2.018 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096072457 501012009 /nfs/dbraw/zinc/01/20/09/501012009.db2.gz GRMMOZAKZCIDSK-CRAIPNDOSA-N 0 0 343.383 2.139 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@H]2CCCC[C@H]2C)ccc1=O ZINC000096413518 523409484 /nfs/dbraw/zinc/40/94/84/523409484.db2.gz AIHJFKDYSPICPW-ZIAGYGMSSA-N 0 0 333.432 2.139 40 0 EEABRN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000035313222 534758113 /nfs/dbraw/zinc/75/81/13/534758113.db2.gz YRRSTWGGKNUXDM-CQSZACIVSA-N 0 0 339.399 2.290 40 0 EEABRN Cc1ccccc1CN1CCN(C(=O)CSC2=NCCS2)CC1 ZINC000283891271 525144128 /nfs/dbraw/zinc/14/41/28/525144128.db2.gz CZIBKBFSIRIERS-UHFFFAOYSA-N 0 0 349.525 2.475 40 0 EEABRN CC(=O)N(C)c1cccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000174951510 526480847 /nfs/dbraw/zinc/48/08/47/526480847.db2.gz HJFWILSEOCRDQX-AWEZNQCLSA-N 0 0 341.415 2.424 40 0 EEABRN CC(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408709227 527730341 /nfs/dbraw/zinc/73/03/41/527730341.db2.gz QEPSNDSZJLPANI-UHFFFAOYSA-N 0 0 345.443 2.460 40 0 EEABRN CC1(C)[C@@H](NC(=O)c2cc[nH]c(=O)c2)C[C@@H]1OCc1ccccc1 ZINC000186535809 527825700 /nfs/dbraw/zinc/82/57/00/527825700.db2.gz UYUVIZWILSOICN-HOTGVXAUSA-N 0 0 326.396 2.489 40 0 EEABRN CCCCCNC(=O)c1ccc(OCC)c(S(=O)(=O)NCC)c1 ZINC000408701170 528212987 /nfs/dbraw/zinc/21/29/87/528212987.db2.gz SRKBVSJFOMFJSB-UHFFFAOYSA-N 0 0 342.461 2.304 40 0 EEABRN CCc1nnc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567077 536137950 /nfs/dbraw/zinc/13/79/50/536137950.db2.gz VFPGWJAIHCZVTM-KRWDZBQOSA-N 0 0 335.452 2.200 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000229805624 536308935 /nfs/dbraw/zinc/30/89/35/536308935.db2.gz HDUOHVCHFUIZIQ-VYDXJSESSA-N 0 0 334.391 2.030 40 0 EEABRN COc1ccc(O[C@H]2CCN(C(=O)CCc3ccccc3)C2)nn1 ZINC000225435184 536864405 /nfs/dbraw/zinc/86/44/05/536864405.db2.gz HVFPCUTVBVFDFK-HNNXBMFYSA-N 0 0 327.384 2.098 40 0 EEABRN O=C(OCCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O)c1ccccc1 ZINC000096474894 693057750 /nfs/dbraw/zinc/05/77/50/693057750.db2.gz UPXVKWYASZHNSR-KGLIPLIRSA-N 0 0 333.771 2.361 40 0 EEABRN CC[C@@]1(CNC(=O)c2c[nH]c(=O)cc2OC)OCCc2ccccc21 ZINC000936026253 1208259080 /nfs/dbraw/zinc/25/90/80/1208259080.db2.gz KCUOXLVXQCFHGJ-IBGZPJMESA-N 0 0 342.395 2.404 40 0 EEABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3)cc1 ZINC000408672617 1369816499 /nfs/dbraw/zinc/81/64/99/1369816499.db2.gz VPYPTUGEKOAHAC-LIADABEKSA-N 0 0 328.364 2.307 40 0 EEABRN O=C1NCCN(Cc2nncs2)[C@H]1c1ccccc1C(F)(F)F ZINC001548453513 1124294649 /nfs/dbraw/zinc/29/46/49/1124294649.db2.gz BZOUHCVLLBVTEA-LBPRGKRZSA-N 0 0 342.346 2.230 40 0 EEABRN CCOC(=O)N1CCC(NC(=O)c2cc(C)nc3onc(C)c32)CC1 ZINC000054420373 214237040 /nfs/dbraw/zinc/23/70/40/214237040.db2.gz BJDJFQFXAULPTG-UHFFFAOYSA-N 0 0 346.387 2.190 40 0 EEABRN O=C(NC[C@H]1CCCO1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000055084830 214271116 /nfs/dbraw/zinc/27/11/16/214271116.db2.gz WIUPFGJZMROWHQ-MRXNPFEDSA-N 0 0 336.407 2.352 40 0 EEABRN Cc1nccc(CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 ZINC000055837868 214344364 /nfs/dbraw/zinc/34/43/64/214344364.db2.gz LVYHHLBVJMROHE-BBRMVZONSA-N 0 0 338.411 2.011 40 0 EEABRN O=C(/C=C/c1ccccn1)NCCc1cc(F)cc2c1OCOC2 ZINC000057267770 214414272 /nfs/dbraw/zinc/41/42/72/214414272.db2.gz VFVQFPAANHUICE-SNAWJCMRSA-N 0 0 328.343 2.459 40 0 EEABRN Cc1csc([C@@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)n1 ZINC000097953902 219065241 /nfs/dbraw/zinc/06/52/41/219065241.db2.gz VRMGMSKKRQKFNE-FPMFFAJLSA-N 0 0 330.413 2.234 40 0 EEABRN CC[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1ccncc1 ZINC000131245882 529560494 /nfs/dbraw/zinc/56/04/94/529560494.db2.gz LNPSPLONHDKHDY-INIZCTEOSA-N 0 0 326.400 2.194 40 0 EEABRN Cc1cccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)c1 ZINC000097995921 219066424 /nfs/dbraw/zinc/06/64/24/219066424.db2.gz GYTQCTBRSCYOCG-MHWRWJLKSA-N 0 0 336.347 2.204 40 0 EEABRN CC[C@@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)OC ZINC000153956076 529601197 /nfs/dbraw/zinc/60/11/97/529601197.db2.gz YBLWXEZVETWUSY-LLVKDONJSA-N 0 0 332.169 2.199 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)cn1 ZINC000063527400 214759720 /nfs/dbraw/zinc/75/97/20/214759720.db2.gz BSRSOPHTNSWPOQ-UHFFFAOYSA-N 0 0 337.427 2.455 40 0 EEABRN COC(=O)c1cccc(OC[C@@H](O)Cn2cnc3ccccc32)c1 ZINC000004385391 210184825 /nfs/dbraw/zinc/18/48/25/210184825.db2.gz DDEHBBAEYPWWFW-AWEZNQCLSA-N 0 0 326.352 2.263 40 0 EEABRN O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cnccn1 ZINC000012087072 295711562 /nfs/dbraw/zinc/71/15/62/295711562.db2.gz AZCWISNLPUHFJL-CQSZACIVSA-N 0 0 325.368 2.279 40 0 EEABRN OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000004305806 210164761 /nfs/dbraw/zinc/16/47/61/210164761.db2.gz LIHCUFZIUGBQAA-RBZJEDDUSA-N 0 0 340.416 2.224 40 0 EEABRN COCCNC(=O)[C@@H](C)[C@@H]1CCc2c(C)cc(OC)c(C)c2[C@@H]1O ZINC000004222575 210146677 /nfs/dbraw/zinc/14/66/77/210146677.db2.gz IPFVZHGTHBGFIW-XLWVJDPXSA-N 0 0 335.444 2.307 40 0 biogenic,in-vitro EEABRN CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102775711 219230623 /nfs/dbraw/zinc/23/06/23/219230623.db2.gz UXBXBNNGYIXIFI-RLCCDNCMSA-N 0 0 340.379 2.167 40 0 EEABRN CC(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000040465599 213309301 /nfs/dbraw/zinc/30/93/01/213309301.db2.gz JRCFCEFZMSHIAY-AUUYWEPGSA-N 0 0 346.427 2.270 40 0 EEABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1cccnc1 ZINC000039963264 213246970 /nfs/dbraw/zinc/24/69/70/213246970.db2.gz HZKMFUPMDCFCDF-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN O=C(COc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000038679226 213220242 /nfs/dbraw/zinc/22/02/42/213220242.db2.gz LTOSXCSDJPAFAE-UHFFFAOYSA-N 0 0 336.741 2.425 40 0 EEABRN O=C(Nc1cccc2nccn21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000240412912 295952136 /nfs/dbraw/zinc/95/21/36/295952136.db2.gz FORPVZWALSNYPU-HNNXBMFYSA-N 0 0 349.394 2.363 40 0 EEABRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C)cc1 ZINC000071980285 283321440 /nfs/dbraw/zinc/32/14/40/283321440.db2.gz UEVDEAAUGXJWRE-MRXNPFEDSA-N 0 0 346.427 2.123 40 0 EEABRN O=C(NCc1c(F)cc(Br)cc1F)N1CCC[C@H]1CO ZINC000187865691 236320961 /nfs/dbraw/zinc/32/09/61/236320961.db2.gz YRVDOARERBJKAE-VIFPVBQESA-N 0 0 349.175 2.394 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000072237937 216076263 /nfs/dbraw/zinc/07/62/63/216076263.db2.gz VNROFVJLPCNPCZ-SJORKVTESA-N 0 0 328.343 2.363 40 0 EEABRN Cc1nn(CCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c2ccccc12 ZINC000072250167 216084019 /nfs/dbraw/zinc/08/40/19/216084019.db2.gz ONWKFKUPPNQCMH-HNNXBMFYSA-N 0 0 342.443 2.252 40 0 EEABRN c1cnc(Nc2cncc([C@@H]3CCCN(c4ncccn4)C3)n2)nc1 ZINC000072354352 216162272 /nfs/dbraw/zinc/16/22/72/216162272.db2.gz QCFDZWGJHMJIHV-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 ZINC000072355038 216164153 /nfs/dbraw/zinc/16/41/53/216164153.db2.gz JSDHSEUNBRYLIR-UHFFFAOYSA-N 0 0 337.387 2.291 40 0 EEABRN Cc1cc(C)nc(Nc2cc(C3CN(c4ccncn4)C3)nc(C)n2)n1 ZINC000072382773 216182831 /nfs/dbraw/zinc/18/28/31/216182831.db2.gz OZLCAIPOCHGHQI-UHFFFAOYSA-N 0 0 348.414 2.329 40 0 EEABRN CCn1cc(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)cn1 ZINC000072572615 216277167 /nfs/dbraw/zinc/27/71/67/216277167.db2.gz WAMIFJSGJDUKEM-AWEZNQCLSA-N 0 0 328.416 2.168 40 0 EEABRN COCCN1CCCC2(CCN(Cc3nc(C)cs3)CC2)C1=O ZINC000108526805 219898778 /nfs/dbraw/zinc/89/87/78/219898778.db2.gz ATMWSKRXEHRPLN-UHFFFAOYSA-N 0 0 337.489 2.303 40 0 EEABRN O=C(NCc1ccc(C2CC2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000191610241 239209485 /nfs/dbraw/zinc/20/94/85/239209485.db2.gz UFWGGFLIXGJTLV-GOSISDBHSA-N 0 0 329.444 2.180 40 0 EEABRN Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 ZINC000075111312 216558475 /nfs/dbraw/zinc/55/84/75/216558475.db2.gz GYIJWVULOFGDEJ-HUUCEWRRSA-N 0 0 340.489 2.309 40 0 EEABRN Cc1c(-c2cc(CN3C(=O)N[C@@](C)(C(C)(C)C)C3=O)on2)cnn1C ZINC000193745066 240292281 /nfs/dbraw/zinc/29/22/81/240292281.db2.gz NPZNPVCOBOGINO-QGZVFWFLSA-N 0 0 345.403 2.240 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000220759863 241453022 /nfs/dbraw/zinc/45/30/22/241453022.db2.gz TYGYHETUABSRDB-AWEZNQCLSA-N 0 0 326.400 2.366 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000225492980 241897464 /nfs/dbraw/zinc/89/74/64/241897464.db2.gz GOHUHERVWITLIF-MRXNPFEDSA-N 0 0 341.411 2.488 40 0 EEABRN COc1ccnc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000225648036 241970754 /nfs/dbraw/zinc/97/07/54/241970754.db2.gz ZXWDDKRTYVFUDC-FZKQIMNGSA-N 0 0 341.415 2.379 40 0 EEABRN Cc1nc(C)c(CCNC(=O)c2cnc(C3OCCO3)s2)s1 ZINC000225803426 242042303 /nfs/dbraw/zinc/04/23/03/242042303.db2.gz UIHVEKQSZFNRKF-UHFFFAOYSA-N 0 0 339.442 2.234 40 0 EEABRN O=C(c1nc2ccccc2s1)N1CCN(C(=O)C2CCC2)CC1 ZINC000226753028 242113422 /nfs/dbraw/zinc/11/34/22/242113422.db2.gz SVSSVGLGPYWHIU-UHFFFAOYSA-N 0 0 329.425 2.381 40 0 EEABRN C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC1CCC(O)CC1 ZINC000227150191 242121636 /nfs/dbraw/zinc/12/16/36/242121636.db2.gz TUVFQSHFDHWTSJ-HLIUYOAVSA-N 0 0 329.400 2.059 40 0 EEABRN NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000226305426 242095745 /nfs/dbraw/zinc/09/57/45/242095745.db2.gz CKRBFNCFHUKKOY-UHFFFAOYSA-N 0 0 334.397 2.220 40 0 EEABRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000245344098 243103777 /nfs/dbraw/zinc/10/37/77/243103777.db2.gz XMTXBDZJOJHMKO-RGFKIIKPSA-N 0 0 342.439 2.446 40 0 EEABRN CN(Cc1cnn(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245339120 243104435 /nfs/dbraw/zinc/10/44/35/243104435.db2.gz QOFMOKXKSYQMFW-IAGOWNOFSA-N 0 0 348.472 2.055 40 0 EEABRN CS[C@H](C)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000253416731 243937580 /nfs/dbraw/zinc/93/75/80/243937580.db2.gz UIPIGVNUAOACNX-GFCCVEGCSA-N 0 0 327.494 2.361 40 0 EEABRN COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(C(C)C)no3)N(C)C2)cc1 ZINC000020464282 212134566 /nfs/dbraw/zinc/13/45/66/212134566.db2.gz UZOWRPJMNRIVTL-ZFWWWQNUSA-N 0 0 344.415 2.377 40 0 biogenic,in-vitro EEABRN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1O ZINC000257205579 244132520 /nfs/dbraw/zinc/13/25/20/244132520.db2.gz AZSRTUAJKANMGN-XNRPHZJLSA-N 0 0 345.447 2.097 40 0 EEABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ncccc2C)ccn1 ZINC000257205876 244133446 /nfs/dbraw/zinc/13/34/46/244133446.db2.gz BAYAEZBMRWESGU-KRWDZBQOSA-N 0 0 338.411 2.398 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(C(=O)C3CCC3)C2)cc(C(=O)N(C)C)n1 ZINC000257211090 244150268 /nfs/dbraw/zinc/15/02/68/244150268.db2.gz BXLZNQPIXGTBAR-AWEZNQCLSA-N 0 0 344.459 2.068 40 0 EEABRN Cn1ccnc1-c1nccnc1[C@@H]1CCCN1C(=O)c1cccnc1 ZINC000257226445 244201915 /nfs/dbraw/zinc/20/19/15/244201915.db2.gz FKQCWLMIDGBDOB-AWEZNQCLSA-N 0 0 334.383 2.249 40 0 EEABRN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000257227940 244207661 /nfs/dbraw/zinc/20/76/61/244207661.db2.gz FRPSUXVABPHVEJ-SFHVURJKSA-N 0 0 348.418 2.051 40 0 EEABRN Cc1cncc([C@@H]2CCCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 ZINC000257243698 244250829 /nfs/dbraw/zinc/25/08/29/244250829.db2.gz IIEBDSPPJPGRRW-MRXNPFEDSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@@H]2CCCN(c3ncccn3)C2)n1C ZINC000257248360 244264290 /nfs/dbraw/zinc/26/42/90/244264290.db2.gz JDICRAUTZNCXBT-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccs3)CCN2C)c1 ZINC000257267099 244365021 /nfs/dbraw/zinc/36/50/21/244365021.db2.gz MFYSLHSUYMYRIQ-OAHLLOKOSA-N 0 0 343.452 2.237 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)n1 ZINC000257325315 244530060 /nfs/dbraw/zinc/53/00/60/244530060.db2.gz WSKSKHPJIJBXPN-INIZCTEOSA-N 0 0 329.448 2.485 40 0 EEABRN O=C(Cn1ncc2ccccc2c1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000019656507 212053108 /nfs/dbraw/zinc/05/31/08/212053108.db2.gz VIOZKOFWUFLMNB-QGZVFWFLSA-N 0 0 333.391 2.413 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1C ZINC000019555516 212040860 /nfs/dbraw/zinc/04/08/60/212040860.db2.gz WOIFPGXNGAYZPI-ZDUSSCGKSA-N 0 0 341.367 2.093 40 0 EEABRN CC(C)Nc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019450238 212028451 /nfs/dbraw/zinc/02/84/51/212028451.db2.gz PSTRXAIOUGOVHD-NSHDSACASA-N 0 0 330.363 2.250 40 0 EEABRN O=C(CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CC1 ZINC000019345995 212019866 /nfs/dbraw/zinc/01/98/66/212019866.db2.gz WQMJPFKFKZDJHK-CYBMUJFWSA-N 0 0 349.818 2.163 40 0 EEABRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)O[C@@H]1CCCc2ccccc21 ZINC000078445825 217053729 /nfs/dbraw/zinc/05/37/29/217053729.db2.gz MTCPRTKNMOSWPB-MRXNPFEDSA-N 0 0 337.379 2.494 40 0 EEABRN CCN(CC)C(=O)CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643069 217092669 /nfs/dbraw/zinc/09/26/69/217092669.db2.gz HFTQVCLNXFAAIO-HNNXBMFYSA-N 0 0 337.851 2.246 40 0 EEABRN COc1ccsc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000078997847 217169831 /nfs/dbraw/zinc/16/98/31/217169831.db2.gz RUEATVWCVHTOKK-LLVKDONJSA-N 0 0 334.372 2.431 40 0 EEABRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000079049552 217181956 /nfs/dbraw/zinc/18/19/56/217181956.db2.gz HVSARIOQVIDEGC-SWLSCSKDSA-N 0 0 329.404 2.078 40 0 EEABRN O=S(=O)(NCc1nc(-c2cccs2)n[nH]1)c1cccs1 ZINC000079097816 217192898 /nfs/dbraw/zinc/19/28/98/217192898.db2.gz LXNVSDARNLBCHD-UHFFFAOYSA-N 0 0 326.428 2.073 40 0 EEABRN COc1ccc(F)cc1C[S@@](=O)[C@H](C)C(=O)NCC(F)(F)F ZINC000079324478 217208221 /nfs/dbraw/zinc/20/82/21/217208221.db2.gz WXFGTKXBNPGIMK-PJLCYMMNSA-N 0 0 341.326 2.150 40 0 EEABRN Cn1c(C(=O)NCC[S@](C)=O)cc2cc(C(F)(F)F)ccc21 ZINC000080089132 217278168 /nfs/dbraw/zinc/27/81/68/217278168.db2.gz MFENSKWLVYMUCO-JOCHJYFZSA-N 0 0 332.347 2.305 40 0 EEABRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000084069909 217572273 /nfs/dbraw/zinc/57/22/73/217572273.db2.gz PMGKMGZQEPPJML-YPMHNXCESA-N 0 0 334.372 2.044 40 0 EEABRN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1 ZINC000086064652 217688849 /nfs/dbraw/zinc/68/88/49/217688849.db2.gz YCCLHLWCRWFMQI-MRVPVSSYSA-N 0 0 328.162 2.210 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@@H](c3[nH]nc4nccnc43)C2)s1 ZINC000012365091 211357550 /nfs/dbraw/zinc/35/75/50/211357550.db2.gz HXFIEFRDRHWXLQ-SNVBAGLBSA-N 0 0 343.412 2.443 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012239462 211328456 /nfs/dbraw/zinc/32/84/56/211328456.db2.gz RNUXUTGZWKRHPD-WCQYABFASA-N 0 0 339.399 2.001 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCC[C@@H]3C)n2)o1 ZINC000012182766 211312447 /nfs/dbraw/zinc/31/24/47/211312447.db2.gz ZGRQVMSMEBUVFJ-FZMZJTMJSA-N 0 0 344.415 2.089 40 0 EEABRN C[C@H](C(=O)N1CCCCCCC1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181388 211311080 /nfs/dbraw/zinc/31/10/80/211311080.db2.gz YVWXEVREFOFOPZ-CYBMUJFWSA-N 0 0 344.415 2.439 40 0 EEABRN Cc1ccnn1CCC(=O)N[C@H](Cn1nnc2ccccc21)C(C)C ZINC000012145041 211305138 /nfs/dbraw/zinc/30/51/38/211305138.db2.gz XQXRGPUTSMQNME-MRXNPFEDSA-N 0 0 340.431 2.167 40 0 EEABRN CCn1c2ncccc2n(CC(=O)Nc2cccc3ncccc32)c1=O ZINC000012117480 211296353 /nfs/dbraw/zinc/29/63/53/211296353.db2.gz JJTLZBVQALBZLD-UHFFFAOYSA-N 0 0 347.378 2.405 40 0 EEABRN C[C@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C1 ZINC000012146746 211306367 /nfs/dbraw/zinc/30/63/67/211306367.db2.gz DEQZFFZIJGVTRG-RYUDHWBXSA-N 0 0 346.456 2.059 40 0 EEABRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cnnn1C ZINC000091962093 218094547 /nfs/dbraw/zinc/09/45/47/218094547.db2.gz CWNRFIDLQONCDW-KXBFYZLASA-N 0 0 342.491 2.251 40 0 EEABRN Cc1nc([C@H](NC(=O)c2cnsn2)c2ccc(Cl)cc2)no1 ZINC000092527383 218147592 /nfs/dbraw/zinc/14/75/92/218147592.db2.gz RGKYKVQYEDYMGX-LLVKDONJSA-N 0 0 335.776 2.402 40 0 EEABRN O=CN1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000010282930 211160149 /nfs/dbraw/zinc/16/01/49/211160149.db2.gz YBODEJWVHXIJLT-UHFFFAOYSA-N 0 0 330.812 2.013 40 0 EEABRN O=C(NC[C@@H](O)C1CCOCC1)NCC1(Cc2ccccc2)CCC1 ZINC000095411442 218347908 /nfs/dbraw/zinc/34/79/08/218347908.db2.gz ADIOUJOKILMECY-GOSISDBHSA-N 0 0 346.471 2.486 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(F)c(OC)c1)C2 ZINC000096039238 218520941 /nfs/dbraw/zinc/52/09/41/218520941.db2.gz RUWVCQJOMROWDJ-AEFFLSMTSA-N 0 0 337.391 2.492 40 0 EEABRN Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2Cl)n1 ZINC000096120898 218612096 /nfs/dbraw/zinc/61/20/96/218612096.db2.gz AVASMBQNZWQKEA-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN Fc1cnc(N2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)nc1 ZINC000096106826 218599256 /nfs/dbraw/zinc/59/92/56/218599256.db2.gz LTXLFFQIGIXZGQ-MRXNPFEDSA-N 0 0 344.390 2.355 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccncc1 ZINC000096200748 218671941 /nfs/dbraw/zinc/67/19/41/218671941.db2.gz IONIVSCFRHCRIO-HOTGVXAUSA-N 0 0 340.379 2.283 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cn1 ZINC000096216868 218692031 /nfs/dbraw/zinc/69/20/31/218692031.db2.gz NWOGHLXEIXSORC-LJQANCHMSA-N 0 0 337.427 2.313 40 0 EEABRN Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]23)o1 ZINC000096216832 218691412 /nfs/dbraw/zinc/69/14/12/218691412.db2.gz HSOKRYDEIOELJN-SNSPGFKJSA-N 0 0 331.397 2.094 40 0 EEABRN Cc1cccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2=O)n1 ZINC000096224717 218700943 /nfs/dbraw/zinc/70/09/43/218700943.db2.gz LCPKDCGQFDHFLO-LJQANCHMSA-N 0 0 337.427 2.199 40 0 EEABRN CC(C)(C)CC(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC000096256046 218725438 /nfs/dbraw/zinc/72/54/38/218725438.db2.gz ATFAEAHKEIUVLF-UHFFFAOYSA-N 0 0 343.431 2.168 40 0 EEABRN Cc1nnc(C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)[nH]1 ZINC000096404581 218753616 /nfs/dbraw/zinc/75/36/16/218753616.db2.gz CPXVUNVKUYNXRH-FMIVXFBMSA-N 0 0 332.429 2.293 40 0 EEABRN CC[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)c1cc(F)ccc1F ZINC000096419029 218782187 /nfs/dbraw/zinc/78/21/87/218782187.db2.gz PCYSIFLRYUSAJN-NHYWBVRUSA-N 0 0 340.370 2.027 40 0 EEABRN CCc1nncn1CCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000096434640 218812180 /nfs/dbraw/zinc/81/21/80/218812180.db2.gz HUMUJCKIDIDJFL-UHFFFAOYSA-N 0 0 339.403 2.063 40 0 EEABRN Cn1ncnc1CNC(=O)Nc1ccc(-c2nccn2C(F)F)cc1 ZINC000096434991 218812964 /nfs/dbraw/zinc/81/29/64/218812964.db2.gz DHCLGOQGIAPKKE-UHFFFAOYSA-N 0 0 347.329 2.395 40 0 EEABRN CC(C)(CNC(=O)/C=C/c1nc2ccccc2s1)S(C)(=O)=O ZINC000096451623 218835234 /nfs/dbraw/zinc/83/52/34/218835234.db2.gz XMDJHJFOOKGKNI-CMDGGOBGSA-N 0 0 338.454 2.249 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)Nc1ncccc1Br ZINC000096467512 218847691 /nfs/dbraw/zinc/84/76/91/218847691.db2.gz QJXRQQZSLPXNSQ-UHFFFAOYSA-N 0 0 339.193 2.212 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000097095121 218950122 /nfs/dbraw/zinc/95/01/22/218950122.db2.gz CSLNQFXSACQXKA-SWLSCSKDSA-N 0 0 349.406 2.031 40 0 EEABRN Cc1cccc(NC(=O)CN(C)c2nnc(C(F)(F)F)s2)n1 ZINC000097104699 218956539 /nfs/dbraw/zinc/95/65/39/218956539.db2.gz IUJSZEUUJDTFET-UHFFFAOYSA-N 0 0 331.323 2.335 40 0 EEABRN O=C(NCc1cccs1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986708 210350806 /nfs/dbraw/zinc/35/08/06/210350806.db2.gz CIXYCDALVNFDIC-UKRRQHHQSA-N 0 0 345.424 2.032 40 0 EEABRN CC(C)Cc1nc2c(nnn2Cc2ccccc2)c(NCCCO)n1 ZINC000004985503 210350211 /nfs/dbraw/zinc/35/02/11/210350211.db2.gz DEOXZUXLYNUUIM-UHFFFAOYSA-N 0 0 340.431 2.262 40 0 EEABRN C[C@@H](c1ccccc1F)n1cc(C(=O)NCc2ccccn2)nn1 ZINC000004929189 210327333 /nfs/dbraw/zinc/32/73/33/210327333.db2.gz DLCLCKRDSYNXRF-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000097233723 219001458 /nfs/dbraw/zinc/00/14/58/219001458.db2.gz QPAYBZMTBVHWRM-OAHLLOKOSA-N 0 0 328.416 2.483 40 0 EEABRN CN1C[C@H](C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1=O ZINC000097236079 219001819 /nfs/dbraw/zinc/00/18/19/219001819.db2.gz GDDQFHYILDIJDG-JMCQJSRRSA-N 0 0 336.260 2.163 40 0 EEABRN CC1([C@@H]2CCCN(C(=O)Cc3noc4ccccc43)C2)OCCO1 ZINC000097372391 219016155 /nfs/dbraw/zinc/01/61/55/219016155.db2.gz YSJFKLIFXXMYKO-CYBMUJFWSA-N 0 0 330.384 2.372 40 0 EEABRN CCOC(=O)c1cnc2c(cnn2C)c1NCc1c(C)nn(C)c1C ZINC000097380064 219021203 /nfs/dbraw/zinc/02/12/03/219021203.db2.gz IDCCJLLXLWSDOT-UHFFFAOYSA-N 0 0 342.403 2.107 40 0 EEABRN C[C@@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1nnc2ccccn21 ZINC000190631806 533180256 /nfs/dbraw/zinc/18/02/56/533180256.db2.gz MFYAWVFFVZMHDC-ACJLOTCBSA-N 0 0 345.447 2.421 40 0 EEABRN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1ccccc1 ZINC000019168964 296427024 /nfs/dbraw/zinc/42/70/24/296427024.db2.gz GSTBIPUTOBWTEH-SQNIBIBYSA-N 0 0 333.391 2.222 40 0 EEABRN C[C@]12CC[C@H]3[C@@H](C[C@@H](N4CC4)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922978 221204218 /nfs/dbraw/zinc/20/42/18/221204218.db2.gz DLLYIRQRNHFLFN-UKLRKDRTSA-N 0 0 347.499 2.368 40 0 EEABRN COc1ccc(-n2nc(-c3nc(C[S@](C)=O)no3)cc2C)cc1 ZINC000274084811 257996842 /nfs/dbraw/zinc/99/68/42/257996842.db2.gz ZJFKKLNTBZJNIE-QHCPKHFHSA-N 0 0 332.385 2.118 40 0 EEABRN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000057606339 258061698 /nfs/dbraw/zinc/06/16/98/258061698.db2.gz HZZLZYNBGHJMRR-SNVBAGLBSA-N 0 0 336.775 2.076 40 0 EEABRN COC(=O)CC1(CNC(=O)c2cnn3ccc(C)nc23)CCCCC1 ZINC000186561539 533304764 /nfs/dbraw/zinc/30/47/64/533304764.db2.gz JAIPGXGAAGDQBZ-UHFFFAOYSA-N 0 0 344.415 2.281 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NCCCCc2ccccc2)cc1 ZINC000408707041 533575927 /nfs/dbraw/zinc/57/59/27/533575927.db2.gz IOMMSXPAXRTDNI-UHFFFAOYSA-N 0 0 340.423 2.451 40 0 EEABRN O=C([C@@H]1CCCN1c1ncnc2cccc(F)c21)N1CCSCC1 ZINC000079089686 304332380 /nfs/dbraw/zinc/33/23/80/304332380.db2.gz OBVHCDOZPGDICK-AWEZNQCLSA-N 0 0 346.431 2.313 40 0 EEABRN CC[C@@H]1CCCCN1S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000016636843 287014966 /nfs/dbraw/zinc/01/49/66/287014966.db2.gz WNRGKMGKOIASFS-LLVKDONJSA-N 0 0 341.458 2.018 40 0 EEABRN CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000360299350 164279484 /nfs/dbraw/zinc/27/94/84/164279484.db2.gz JMPNQZOIQCDWQQ-CQSZACIVSA-N 0 0 344.864 2.409 40 0 EEABRN CNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000360588133 164345990 /nfs/dbraw/zinc/34/59/90/164345990.db2.gz HHMKVIXAKBBBHD-MRXNPFEDSA-N 0 0 332.425 2.151 40 0 EEABRN O=C(NCC[C@H]1CCCCO1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000272685363 269008116 /nfs/dbraw/zinc/00/81/16/269008116.db2.gz UHWJWLDMOHALQL-CVEARBPZSA-N 0 0 334.391 2.254 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000285355869 274717536 /nfs/dbraw/zinc/71/75/36/274717536.db2.gz WFXALGGXXQUBEZ-ZETCQYMHSA-N 0 0 325.217 2.212 40 0 EEABRN CCOc1ncnc2c1CCN(c1cc(C(F)(F)F)ncn1)CC2 ZINC000096255605 276386295 /nfs/dbraw/zinc/38/62/95/276386295.db2.gz BMYMMNRCUNKRRP-UHFFFAOYSA-N 0 0 339.321 2.289 40 0 EEABRN CCn1c2cc(OC)c(OC)cc2c2nc3n(c(=O)c21)CCS3 ZINC000004973424 276711960 /nfs/dbraw/zinc/71/19/60/276711960.db2.gz UBRFVYBIOOFRIV-UHFFFAOYSA-N 0 0 331.397 2.494 40 0 EEABRN COCc1nn2c(nnc3c2CC=NNC3=O)c1-c1ccc(F)cc1 ZINC000040392276 277616004 /nfs/dbraw/zinc/61/60/04/277616004.db2.gz BNDDRAFELOCNDC-UHFFFAOYSA-N 0 0 340.318 2.414 40 0 EEABRN CCO[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000283137423 292905412 /nfs/dbraw/zinc/90/54/12/292905412.db2.gz ZZXUKIDZPGYVNF-GRYCIOLGSA-N 0 0 349.412 2.123 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)n(C)n1 ZINC000072241816 301357209 /nfs/dbraw/zinc/35/72/09/301357209.db2.gz RNYQYSOKFMZGGL-RHSMWYFYSA-N 0 0 344.390 2.416 40 0 EEABRN Cc1nc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)cc(N(C)C)n1 ZINC000257331105 302631188 /nfs/dbraw/zinc/63/11/88/302631188.db2.gz XRJHSOFXQYXJLE-HNNXBMFYSA-N 0 0 338.477 2.260 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1[S@](=O)CC ZINC000180581714 311463340 /nfs/dbraw/zinc/46/33/40/311463340.db2.gz FDHCZAXJLBKULV-YEBMWUKDSA-N 0 0 346.456 2.233 40 0 EEABRN Cc1cc(C(=O)NC2CCN(C(=O)c3ccn(C)c3)CC2)c(C)o1 ZINC000331847180 311912981 /nfs/dbraw/zinc/91/29/81/311912981.db2.gz NOGVRGHKGKMMAS-UHFFFAOYSA-N 0 0 329.400 2.270 40 0 EEABRN O=C(NC[C@@H]1CCCS1(=O)=O)Nc1nc(C2CCC2)cs1 ZINC000333552722 312164725 /nfs/dbraw/zinc/16/47/25/312164725.db2.gz QGBWORVRERGGPS-JTQLQIEISA-N 0 0 329.447 2.109 40 0 EEABRN Cc1nnsc1C(=O)OCCOc1cc(C(F)(F)F)ccn1 ZINC000002557792 462595570 /nfs/dbraw/zinc/59/55/70/462595570.db2.gz WPBQFKLUSKOESY-UHFFFAOYSA-N 0 0 333.291 2.496 40 0 EEABRN CCn1cc(CCN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)cn1 ZINC000329163581 465252599 /nfs/dbraw/zinc/25/25/99/465252599.db2.gz GJBOZQIKCXZWLX-IBGZPJMESA-N 0 0 338.411 2.129 40 0 EEABRN COc1ccccc1CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000044998909 462551095 /nfs/dbraw/zinc/55/10/95/462551095.db2.gz LLYHSDZHHOTZEZ-HNNXBMFYSA-N 0 0 330.428 2.445 40 0 EEABRN CCOc1ccc(-c2nnn(CC(=O)N[C@@H](C)CC)n2)cc1OCC ZINC000000415093 462560106 /nfs/dbraw/zinc/56/01/06/462560106.db2.gz LQSRJIOSDGWIRW-LBPRGKRZSA-N 0 0 347.419 2.052 40 0 EEABRN CNC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000000420024 462561921 /nfs/dbraw/zinc/56/19/21/462561921.db2.gz QUDFCAHWSNLNRC-OAHLLOKOSA-N 0 0 345.468 2.322 40 0 EEABRN S=C(NCCCn1ccnc1)SCc1cn2cccnc2n1 ZINC000002667904 462598879 /nfs/dbraw/zinc/59/88/79/462598879.db2.gz QDWJNPMXZKUTCB-UHFFFAOYSA-N 0 0 332.458 2.124 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OCC)c(-c2nc(C)no2)c1 ZINC000046020104 462637974 /nfs/dbraw/zinc/63/79/74/462637974.db2.gz SFYDZCLFSFBTPN-UHFFFAOYSA-N 0 0 325.390 2.132 40 0 EEABRN COc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1OC ZINC000006285307 462680742 /nfs/dbraw/zinc/68/07/42/462680742.db2.gz GWSZXWKPVGGCHO-QGZVFWFLSA-N 0 0 329.352 2.160 40 0 EEABRN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000075161485 462688769 /nfs/dbraw/zinc/68/87/69/462688769.db2.gz HRUWMJDNRFYGPD-JTQLQIEISA-N 0 0 328.290 2.078 40 0 EEABRN CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000006845736 462707517 /nfs/dbraw/zinc/70/75/17/462707517.db2.gz OCAQWFQXARGTAX-ZDUSSCGKSA-N 0 0 348.424 2.391 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000006946245 462714491 /nfs/dbraw/zinc/71/44/91/462714491.db2.gz SBKNAZACTOUONF-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN Cc1cnc(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)o1 ZINC000075642682 462744453 /nfs/dbraw/zinc/74/44/53/462744453.db2.gz YMBDNWOXAFZFBR-UHFFFAOYSA-N 0 0 349.818 2.360 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\C=C\c3ccco3)C2=O)o1 ZINC000008205730 462772597 /nfs/dbraw/zinc/77/25/97/462772597.db2.gz MWOLKVAEPQMDJL-SMFQVXJGSA-N 0 0 342.307 2.308 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)c1 ZINC000008559303 462787833 /nfs/dbraw/zinc/78/78/33/462787833.db2.gz KTXBUGRRVDJXPY-VIFPVBQESA-N 0 0 339.277 2.127 40 0 EEABRN CC(C)(C)c1csc(CCNS(=O)(=O)c2ccccn2)n1 ZINC000131783175 462828149 /nfs/dbraw/zinc/82/81/49/462828149.db2.gz JQZHIHWIKLBJCA-UHFFFAOYSA-N 0 0 325.459 2.357 40 0 EEABRN O=C(CN1c2ccccc2C2=NCCCN2C1=O)NC1CCCC1 ZINC000012142792 462844929 /nfs/dbraw/zinc/84/49/29/462844929.db2.gz OWUKONJNMAKRLU-UHFFFAOYSA-N 0 0 326.400 2.138 40 0 EEABRN Cc1nc2c(c(N3CCN(C)CC3)n1)CCN(Cc1ccccc1)C2 ZINC000012338324 462850520 /nfs/dbraw/zinc/85/05/20/462850520.db2.gz IADFDPBQPPAAJA-UHFFFAOYSA-N 0 0 337.471 2.095 40 0 EEABRN COC(=O)c1ccc(NC(=S)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000013556324 462895955 /nfs/dbraw/zinc/89/59/55/462895955.db2.gz WOBPKPKMKIQZOT-HOTGVXAUSA-N 0 0 342.420 2.418 40 0 EEABRN COCc1nc2nc(SC)nn2c(N)c1-c1ccc(OC)cc1 ZINC000013638118 462897940 /nfs/dbraw/zinc/89/79/40/462897940.db2.gz RMSYXNRTSDAZBX-UHFFFAOYSA-N 0 0 331.401 2.250 40 0 EEABRN Cc1ccccc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O ZINC000013668686 462898061 /nfs/dbraw/zinc/89/80/61/462898061.db2.gz FFULZSLDTOSTHR-UHFFFAOYSA-N 0 0 344.436 2.350 40 0 EEABRN Cn1cc([C@H]2[C@H](C(=O)OCc3cccs3)CCC(=O)N2C)cn1 ZINC000076851310 462917281 /nfs/dbraw/zinc/91/72/81/462917281.db2.gz XXVHOHXQXDNSHU-HIFRSBDPSA-N 0 0 333.413 2.135 40 0 EEABRN Cc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)on1 ZINC000077123083 462941481 /nfs/dbraw/zinc/94/14/81/462941481.db2.gz NYDMFDBBOMTZLR-UHFFFAOYSA-N 0 0 345.218 2.267 40 0 EEABRN CC(C)(C)C(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]cn3)CC[C@H]2C1 ZINC000015672893 462958182 /nfs/dbraw/zinc/95/81/82/462958182.db2.gz CGLZYNBQYWZJTD-GJZGRUSLSA-N 0 0 346.475 2.085 40 0 biogenic,in-vitro EEABRN CCOC(=O)CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000016899953 462991563 /nfs/dbraw/zinc/99/15/63/462991563.db2.gz AYHYKCAMJUZLPZ-NSHDSACASA-N 0 0 327.789 2.268 40 0 EEABRN CC[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cc(F)ccc1F ZINC000077582982 463008284 /nfs/dbraw/zinc/00/82/84/463008284.db2.gz VBWULGKEASXUQA-SMDDNHRTSA-N 0 0 325.359 2.336 40 0 EEABRN O=C(NCC[C@@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000077694928 463025443 /nfs/dbraw/zinc/02/54/43/463025443.db2.gz QZVZCGMCRSVSLK-AWEZNQCLSA-N 0 0 345.374 2.240 40 0 EEABRN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)Nc1ccccc1 ZINC000020674411 463029335 /nfs/dbraw/zinc/02/93/35/463029335.db2.gz IJWPWXCUMDMLQV-KRWDZBQOSA-N 0 0 349.390 2.277 40 0 EEABRN COCC[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000077745228 463035515 /nfs/dbraw/zinc/03/55/15/463035515.db2.gz FFTVCCFARYGSTQ-QMMMGPOBSA-N 0 0 347.184 2.068 40 0 EEABRN COCC[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000077745229 463035583 /nfs/dbraw/zinc/03/55/83/463035583.db2.gz FFTVCCFARYGSTQ-MRVPVSSYSA-N 0 0 347.184 2.068 40 0 EEABRN Cn1ccc(NC(=O)C(=O)NCc2ccc(-c3ccccc3F)o2)n1 ZINC000077820973 463056292 /nfs/dbraw/zinc/05/62/92/463056292.db2.gz JYLUXWAGDOGZLN-UHFFFAOYSA-N 0 0 342.330 2.074 40 0 EEABRN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](c2ccco2)C1 ZINC000095400552 463075902 /nfs/dbraw/zinc/07/59/02/463075902.db2.gz GVJJPLWWQLKZPG-PKOBYXMFSA-N 0 0 340.423 2.497 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096039277 463144148 /nfs/dbraw/zinc/14/41/48/463144148.db2.gz OHOHIFAVRRUKGU-PKOBYXMFSA-N 0 0 347.411 2.002 40 0 EEABRN CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)CC1 ZINC000096042770 463148001 /nfs/dbraw/zinc/14/80/01/463148001.db2.gz YVULARZQQNQPOA-ARFHVFGLSA-N 0 0 349.500 2.381 40 0 EEABRN O=C(NC[C@H]1COCc2c(-c3ccsc3)nnn2C1)c1ccco1 ZINC000096045659 463149844 /nfs/dbraw/zinc/14/98/44/463149844.db2.gz QHIKYMWVPBKAJO-LLVKDONJSA-N 0 0 344.396 2.176 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096049382 463152961 /nfs/dbraw/zinc/15/29/61/463152961.db2.gz FAKDTCAVMWCODB-UHFFFAOYSA-N 0 0 339.395 2.472 40 0 EEABRN COc1cccc(N2C[C@@]3(CCN(c4ccc(C)nn4)C3)CC2=O)c1 ZINC000096077478 463169209 /nfs/dbraw/zinc/16/92/09/463169209.db2.gz VIBQPYLTNAAXOU-IBGZPJMESA-N 0 0 338.411 2.427 40 0 EEABRN Cc1ccoc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1 ZINC000096084729 463170790 /nfs/dbraw/zinc/17/07/90/463170790.db2.gz VOFMUGQCAZEXGK-UHFFFAOYSA-N 0 0 343.431 2.212 40 0 EEABRN O=C(c1ccncc1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 ZINC000096100669 463172730 /nfs/dbraw/zinc/17/27/30/463172730.db2.gz XNKIXEBGJYJADF-UFYCRDLUSA-N 0 0 349.434 2.324 40 0 EEABRN COC[C@H]1COCCC12CCN(C(=O)COc1ccccc1)CC2 ZINC000096106291 463174241 /nfs/dbraw/zinc/17/42/41/463174241.db2.gz KCROIVLBKQMDQO-INIZCTEOSA-N 0 0 333.428 2.357 40 0 EEABRN Cc1ncoc1C(=O)N1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096107021 463175076 /nfs/dbraw/zinc/17/50/76/463175076.db2.gz JAPVPFYXQJJYAS-CQSZACIVSA-N 0 0 343.383 2.221 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC(Oc2ccc(C)nn2)CC1 ZINC000096119391 463181370 /nfs/dbraw/zinc/18/13/70/463181370.db2.gz BDRKVNQOGFCEPH-UHFFFAOYSA-N 0 0 344.415 2.392 40 0 EEABRN COc1cc(OC)cc(C(=O)NCc2nccc(N3CCCC3)n2)c1 ZINC000096120747 463181447 /nfs/dbraw/zinc/18/14/47/463181447.db2.gz OHXJCPFBWSQXHH-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN CCN(C(=O)N[C@H](C)Cc1ccsc1)[C@@H](C)CS(C)(=O)=O ZINC000079036229 463181834 /nfs/dbraw/zinc/18/18/34/463181834.db2.gz FSGZSPPEYSLSIT-NEPJUHHUSA-N 0 0 332.491 2.144 40 0 EEABRN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)on1 ZINC000079065075 463185406 /nfs/dbraw/zinc/18/54/06/463185406.db2.gz BYNDYPPLFLZXIO-CABCVRRESA-N 0 0 331.416 2.295 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000096181921 463194418 /nfs/dbraw/zinc/19/44/18/463194418.db2.gz HDUOHVCHFUIZIQ-YQQAZPJKSA-N 0 0 334.391 2.030 40 0 EEABRN Cc1cncc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC000096187102 463199482 /nfs/dbraw/zinc/19/94/82/463199482.db2.gz BELMKIUSQZADED-SQNIBIBYSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccnc3)n2N)cc1 ZINC000027752449 463202707 /nfs/dbraw/zinc/20/27/07/463202707.db2.gz MPGDNCRMJBXZMM-UHFFFAOYSA-N 0 0 340.412 2.093 40 0 EEABRN COCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccs1 ZINC000096217388 463214581 /nfs/dbraw/zinc/21/45/81/463214581.db2.gz MYPMKDRLPAAURM-KRWDZBQOSA-N 0 0 336.457 2.382 40 0 EEABRN Cc1nc(CO[C@H]2CO[C@@]3(CCN(C(=O)c4cocn4)C3)C2)cs1 ZINC000096218185 463215143 /nfs/dbraw/zinc/21/51/43/463215143.db2.gz SVQXUBYWUNMVQG-CJNGLKHVSA-N 0 0 349.412 2.030 40 0 EEABRN Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)NC(C)C)C3)C2=O)n1 ZINC000096224709 463221458 /nfs/dbraw/zinc/22/14/58/463221458.db2.gz XDSCYCSRXWOLRJ-LJQANCHMSA-N 0 0 344.459 2.323 40 0 EEABRN O=C(NC1CC1)N1C[C@@H]2C[C@H](C1)CN(C(=O)c1cccc(F)c1)C2 ZINC000096252338 463228417 /nfs/dbraw/zinc/22/84/17/463228417.db2.gz DBTQARISVGYKSV-BETUJISGSA-N 0 0 331.391 2.092 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096261177 463231851 /nfs/dbraw/zinc/23/18/51/463231851.db2.gz NAGZGTGNUPAVET-SFHVURJKSA-N 0 0 349.434 2.289 40 0 EEABRN COC(=O)N[C@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)C(C)C ZINC000096404908 463239669 /nfs/dbraw/zinc/23/96/69/463239669.db2.gz DLCXUDCPRDFUJQ-KRWDZBQOSA-N 0 0 347.459 2.494 40 0 EEABRN COc1ccc(-c2nc(CNC(=O)CCc3nccs3)no2)cc1 ZINC000096407845 463241252 /nfs/dbraw/zinc/24/12/52/463241252.db2.gz FTVGKZYRYYBAPJ-UHFFFAOYSA-N 0 0 344.396 2.451 40 0 EEABRN CS(=O)(=O)NCc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000096410235 463242459 /nfs/dbraw/zinc/24/24/59/463242459.db2.gz AXUIFZXQFQWBNW-UHFFFAOYSA-N 0 0 344.436 2.406 40 0 EEABRN CCOCc1ccccc1NC(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096410612 463244285 /nfs/dbraw/zinc/24/42/85/463244285.db2.gz QEGCWZAVGPEZMI-KRWDZBQOSA-N 0 0 345.447 2.381 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000096413474 463245822 /nfs/dbraw/zinc/24/58/22/463245822.db2.gz ZEHLHKHTVPHNRQ-TXEJJXNPSA-N 0 0 328.368 2.236 40 0 EEABRN Cc1ccc(C[C@@H](C)NC(=O)CNC(=O)NCc2ccco2)s1 ZINC000096414569 463247053 /nfs/dbraw/zinc/24/70/53/463247053.db2.gz DVVANSOUEBSYHZ-LLVKDONJSA-N 0 0 335.429 2.196 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000096418782 463250826 /nfs/dbraw/zinc/25/08/26/463250826.db2.gz PXPXXOZQKAPTJX-WMLDXEAASA-N 0 0 332.444 2.300 40 0 EEABRN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC[C@@H]1CCOC1 ZINC000096419887 463251542 /nfs/dbraw/zinc/25/15/42/463251542.db2.gz LSLPXVATBPZVKW-JOYOIKCWSA-N 0 0 333.215 2.363 40 0 EEABRN Cc1ccc2cccc(C(=O)N[C@H](C)CCN3CCOCC3)c2n1 ZINC000096420827 463251920 /nfs/dbraw/zinc/25/19/20/463251920.db2.gz CZLHFOWALGBOAU-OAHLLOKOSA-N 0 0 327.428 2.384 40 0 EEABRN C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(NS(C)(=O)=O)CC1 ZINC000096421059 463252005 /nfs/dbraw/zinc/25/20/05/463252005.db2.gz NTRMQIBDXQVVBO-CYBMUJFWSA-N 0 0 349.456 2.416 40 0 EEABRN CC1CCC(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000096422292 463252754 /nfs/dbraw/zinc/25/27/54/463252754.db2.gz HZNFGBUUPLXOOX-UHFFFAOYSA-N 0 0 338.473 2.049 40 0 EEABRN CN(CCS(C)(=O)=O)CC1(c2ccc(Br)cc2)CC1 ZINC000096421182 463253246 /nfs/dbraw/zinc/25/32/46/463253246.db2.gz GGSPOGZVZISVPE-UHFFFAOYSA-N 0 0 346.290 2.457 40 0 EEABRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC000096426821 463255696 /nfs/dbraw/zinc/25/56/96/463255696.db2.gz DGVLKIKIGYUTTB-JTQLQIEISA-N 0 0 349.378 2.406 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432811 463261117 /nfs/dbraw/zinc/26/11/17/463261117.db2.gz OVTPFIKLTMETMR-UHFFFAOYSA-N 0 0 332.351 2.485 40 0 EEABRN Cn1cccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)c1=O ZINC000096435128 463263662 /nfs/dbraw/zinc/26/36/62/463263662.db2.gz OBYULIAJEGCUAR-MRXNPFEDSA-N 0 0 341.411 2.456 40 0 EEABRN CCc1cc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)n[nH]1 ZINC000096436238 463263767 /nfs/dbraw/zinc/26/37/67/463263767.db2.gz ZNUUONZYZVDNPC-UHFFFAOYSA-N 0 0 326.400 2.463 40 0 EEABRN CN(CC(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)C1CC1 ZINC000096436506 463264435 /nfs/dbraw/zinc/26/44/35/463264435.db2.gz HXQNKZHNDVJNLY-UHFFFAOYSA-N 0 0 335.411 2.353 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3cccc(F)c3F)CC2)S1 ZINC000096443768 463268292 /nfs/dbraw/zinc/26/82/92/463268292.db2.gz FLMYMLMULDYUCZ-JTQLQIEISA-N 0 0 325.384 2.214 40 0 EEABRN COCc1noc(-c2ccc(OC)cc2I)n1 ZINC000096471693 463278970 /nfs/dbraw/zinc/27/89/70/463278970.db2.gz HYNNZCZVSBMMGS-UHFFFAOYSA-N 0 0 346.124 2.496 40 0 EEABRN COc1ccc(NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)c(C)n1 ZINC000096471126 463279277 /nfs/dbraw/zinc/27/92/77/463279277.db2.gz CGOJICHVPBZFCS-NSHDSACASA-N 0 0 346.353 2.499 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000096484526 463282217 /nfs/dbraw/zinc/28/22/17/463282217.db2.gz ZDVJGKFIUWJEHZ-TZMCWYRMSA-N 0 0 327.384 2.380 40 0 EEABRN C[C@@H](CNC(=O)N[C@@H]1CCCc2sccc21)CN1CCOCC1 ZINC000096503280 463292255 /nfs/dbraw/zinc/29/22/55/463292255.db2.gz OZECIHBHDGQVQW-DZGCQCFKSA-N 0 0 337.489 2.393 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096503295 463292608 /nfs/dbraw/zinc/29/26/08/463292608.db2.gz WAHMZKDKUXCPMP-IKWCTNDRSA-N 0 0 338.370 2.289 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000097095076 463321672 /nfs/dbraw/zinc/32/16/72/463321672.db2.gz HIHVRZFOUPSOHE-NVXWUHKLSA-N 0 0 334.460 2.437 40 0 EEABRN Cc1cccc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)c1 ZINC000097096612 463322522 /nfs/dbraw/zinc/32/25/22/463322522.db2.gz HJIBPGOOIFORBI-UHFFFAOYSA-N 0 0 338.455 2.460 40 0 EEABRN CNS(=O)(=O)Cc1cccc(CNC(=O)c2cccn2C(C)C)c1 ZINC000097230249 463351039 /nfs/dbraw/zinc/35/10/39/463351039.db2.gz KUDXHACJLTVSOP-UHFFFAOYSA-N 0 0 349.456 2.048 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)s2)o1 ZINC000097237736 463352318 /nfs/dbraw/zinc/35/23/18/463352318.db2.gz PWOVLHIKHUYXFX-JSGCOSHPSA-N 0 0 332.425 2.472 40 0 EEABRN CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508574 463380862 /nfs/dbraw/zinc/38/08/62/463380862.db2.gz CPCVNKIDSGQCEI-RYUDHWBXSA-N 0 0 330.862 2.040 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)c1cccn1C)c1noc(C)n1 ZINC000070981866 463399451 /nfs/dbraw/zinc/39/94/51/463399451.db2.gz ANBWDTYMRBXDPM-OAHLLOKOSA-N 0 0 326.356 2.245 40 0 EEABRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000071538685 463417958 /nfs/dbraw/zinc/41/79/58/463417958.db2.gz SNRURRIOJYWZGZ-JTQLQIEISA-N 0 0 348.380 2.215 40 0 EEABRN O=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000034776386 463428270 /nfs/dbraw/zinc/42/82/70/463428270.db2.gz CRAHYIVKOBEQDC-UHFFFAOYSA-N 0 0 344.186 2.333 40 0 EEABRN O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000081701258 463480645 /nfs/dbraw/zinc/48/06/45/463480645.db2.gz GUAHQAFQAMFEGG-AZUAARDMSA-N 0 0 333.391 2.189 40 0 EEABRN CCOc1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1C ZINC000081718285 463482772 /nfs/dbraw/zinc/48/27/72/463482772.db2.gz DALVLKJVZUHZBH-INIZCTEOSA-N 0 0 340.427 2.469 40 0 EEABRN COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(C)cc2)cc1OC ZINC000072227048 463483745 /nfs/dbraw/zinc/48/37/45/463483745.db2.gz QNFGNEKYGDXYBN-ZWKOTPCHSA-N 0 0 326.396 2.423 40 0 EEABRN O=C(CCCc1ccccn1)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000081764390 463489972 /nfs/dbraw/zinc/48/99/72/463489972.db2.gz ZSZSRFLVWQTIPR-UHFFFAOYSA-N 0 0 345.834 2.197 40 0 EEABRN CNC(=O)CN(C(=O)c1cc(C(C)C)n(C)n1)c1ccccc1C ZINC000081937217 463506979 /nfs/dbraw/zinc/50/69/79/463506979.db2.gz SDSGDSXQXGQPOA-UHFFFAOYSA-N 0 0 328.416 2.245 40 0 EEABRN O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000072347618 463509065 /nfs/dbraw/zinc/50/90/65/463509065.db2.gz DNZRCVZSPZFGLM-UHFFFAOYSA-N 0 0 341.436 2.465 40 0 EEABRN Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)C(F)F)cc1)NC2=O ZINC000072341159 463509809 /nfs/dbraw/zinc/50/98/09/463509809.db2.gz QEAJKLMTHJTXFZ-CQSZACIVSA-N 0 0 346.337 2.472 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000083612924 463552215 /nfs/dbraw/zinc/55/22/15/463552215.db2.gz QAQOQXUZWXCDNI-CYBMUJFWSA-N 0 0 332.853 2.093 40 0 EEABRN O=C(NC[C@H]1OC[C@@H]2CN(c3ccccn3)CC[C@@H]21)c1ccsc1 ZINC000107201998 463561802 /nfs/dbraw/zinc/56/18/02/463561802.db2.gz SIIUXUIRCYLPPW-HRCADAONSA-N 0 0 343.452 2.414 40 0 EEABRN CSCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108533349 463610559 /nfs/dbraw/zinc/61/05/59/463610559.db2.gz OSAIIHRLKNZXNL-GOSISDBHSA-N 0 0 347.484 2.176 40 0 EEABRN Cc1sc2ccccc2c1S(=O)(=O)NCCNC(=O)C(C)C ZINC000084936068 463638545 /nfs/dbraw/zinc/63/85/45/463638545.db2.gz HPPRFKNGKILOCN-UHFFFAOYSA-N 0 0 340.470 2.260 40 0 EEABRN CCCc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1 ZINC000044508264 463681370 /nfs/dbraw/zinc/68/13/70/463681370.db2.gz CQROJLHLKBUCNG-UHFFFAOYSA-N 0 0 338.367 2.425 40 0 EEABRN COc1ccccc1OCCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000044889411 463698485 /nfs/dbraw/zinc/69/84/85/463698485.db2.gz HTHGMMNLUJHKGE-UHFFFAOYSA-N 0 0 340.379 2.389 40 0 EEABRN O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1csc(-c2ccccc2)n1 ZINC000257228453 463756077 /nfs/dbraw/zinc/75/60/77/463756077.db2.gz FTXLRTLMLSHUON-BPLDGKMQSA-N 0 0 332.425 2.204 40 0 EEABRN Cc1nnsc1CNC(=O)c1cccc(-c2c(C)noc2C)n1 ZINC000257280409 463759483 /nfs/dbraw/zinc/75/94/83/463759483.db2.gz OKSFHJGZZIDPMY-UHFFFAOYSA-N 0 0 329.385 2.443 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccnc(C)c2)CC1 ZINC000257280163 463759833 /nfs/dbraw/zinc/75/98/33/463759833.db2.gz OJSXPBQBEYHVKG-SFHVURJKSA-N 0 0 329.444 2.182 40 0 EEABRN CCn1nc(C(=O)N2CC[C@@H]3[C@@H](C2)CCCCN3C(C)=O)cc1C ZINC000257281948 463760180 /nfs/dbraw/zinc/76/01/80/463760180.db2.gz ORQJRSZEFKOHDE-NVXWUHKLSA-N 0 0 332.448 2.075 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cscn3)CCO2)ccn1 ZINC000257300675 463769192 /nfs/dbraw/zinc/76/91/92/463769192.db2.gz RVGUVILCOIZNLY-CQSZACIVSA-N 0 0 346.456 2.078 40 0 EEABRN O=c1cc(CC[C@H]2CN(Cc3ccc(Cl)cn3)CCO2)nc[nH]1 ZINC000257306182 463770491 /nfs/dbraw/zinc/77/04/91/463770491.db2.gz STFBXHSCARWJJX-HNNXBMFYSA-N 0 0 334.807 2.064 40 0 EEABRN C[C@]12CCCN(C(=O)COc3ccccc3F)[C@H]1CCCC(=O)N2 ZINC000257305392 463770594 /nfs/dbraw/zinc/77/05/94/463770594.db2.gz SPUNPWRMSGSPOD-YJBOKZPZSA-N 0 0 334.391 2.254 40 0 EEABRN O=C([O-])COc1ccccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257312671 463773431 /nfs/dbraw/zinc/77/34/31/463773431.db2.gz UPBLGFDMLNDFGE-QGZVFWFLSA-N 0 0 326.396 2.297 40 0 EEABRN CC(C)n1nccc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257323502 463777452 /nfs/dbraw/zinc/77/74/52/463777452.db2.gz WKLVFPYTNAIXHX-INIZCTEOSA-N 0 0 343.431 2.139 40 0 EEABRN Cc1noc(C)c1CCC(=O)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257326693 463780178 /nfs/dbraw/zinc/78/01/78/463780178.db2.gz WYFIQHODWOQZFI-AWEZNQCLSA-N 0 0 344.415 2.224 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2[nH]cnc2C)CCN1C(C)=O ZINC000257333208 463782481 /nfs/dbraw/zinc/78/24/81/463782481.db2.gz YAQKBJCOYAUDBB-QGZVFWFLSA-N 0 0 328.416 2.132 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 ZINC000257334175 463783330 /nfs/dbraw/zinc/78/33/30/463783330.db2.gz YEVSGPRZXKZVJF-UHFFFAOYSA-N 0 0 341.415 2.213 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 ZINC000257336462 463784492 /nfs/dbraw/zinc/78/44/92/463784492.db2.gz YONHITPWVYTRPI-ZDUSSCGKSA-N 0 0 337.420 2.436 40 0 EEABRN Cc1cncc([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 ZINC000257341283 463785714 /nfs/dbraw/zinc/78/57/14/463785714.db2.gz ZJRCTBFVTSVWRZ-KRWDZBQOSA-N 0 0 339.443 2.018 40 0 EEABRN Cc1cnc([C@@H](C)NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000195016478 463976174 /nfs/dbraw/zinc/97/61/74/463976174.db2.gz UODWXXQDZYKGSA-MBNYWOFBSA-N 0 0 340.493 2.263 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)[C@@H]2CCCc3ccccc32)on1 ZINC000195040474 463980663 /nfs/dbraw/zinc/98/06/63/463980663.db2.gz JDTIWIXGVBWPNZ-CQSZACIVSA-N 0 0 334.397 2.414 40 0 EEABRN CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000172275393 464034535 /nfs/dbraw/zinc/03/45/35/464034535.db2.gz IXTSZVZLASJKLE-UHFFFAOYSA-N 0 0 348.399 2.327 40 0 EEABRN CCOC(=O)c1ccccc1S(=O)(=O)N1CCc2cnccc21 ZINC000195337252 464042897 /nfs/dbraw/zinc/04/28/97/464042897.db2.gz LOTRDNHWZIPSBF-UHFFFAOYSA-N 0 0 332.381 2.010 40 0 EEABRN Cc1csc2c1ncn(CC(=O)N1CCc3ccccc3C1)c2=O ZINC000195414318 464051249 /nfs/dbraw/zinc/05/12/49/464051249.db2.gz LESLOBZUKXRDAV-UHFFFAOYSA-N 0 0 339.420 2.351 40 0 EEABRN COc1ccc(CCC2CCN(C(=O)c3cnn(C)c3N)CC2)cc1 ZINC000195561807 464077035 /nfs/dbraw/zinc/07/70/35/464077035.db2.gz HHWYSODWGPGBFI-UHFFFAOYSA-N 0 0 342.443 2.496 40 0 EEABRN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ccccn3)c2)[nH]n1 ZINC000195568700 464078780 /nfs/dbraw/zinc/07/87/80/464078780.db2.gz UVOJGMCYNDCPHC-LLVKDONJSA-N 0 0 325.376 2.052 40 0 EEABRN COc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1Cl ZINC000224077145 464148452 /nfs/dbraw/zinc/14/84/52/464148452.db2.gz LDDBSKVSJIERTI-UHFFFAOYSA-N 0 0 337.763 2.426 40 0 EEABRN CN(C)c1nccc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000224239720 464149759 /nfs/dbraw/zinc/14/97/59/464149759.db2.gz HYUVYKWBELFROD-UHFFFAOYSA-N 0 0 342.424 2.174 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000225410817 464158802 /nfs/dbraw/zinc/15/88/02/464158802.db2.gz XRIYCULIXAGSMV-CQSZACIVSA-N 0 0 344.386 2.368 40 0 EEABRN CNC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1 ZINC000225459884 464162261 /nfs/dbraw/zinc/16/22/61/464162261.db2.gz DDPINIWKNQZNKJ-UHFFFAOYSA-N 0 0 329.400 2.300 40 0 EEABRN CO[C@@H](CNC(=O)NCc1ncnn1C(C)(C)C)c1ccc(F)cc1 ZINC000225706570 464180933 /nfs/dbraw/zinc/18/09/33/464180933.db2.gz YRRSSVQENUMBPY-AWEZNQCLSA-N 0 0 349.410 2.359 40 0 EEABRN Cn1cc([C@@H](NS(=O)(=O)c2ccco2)c2ccc(F)cc2)cn1 ZINC000188853014 464382749 /nfs/dbraw/zinc/38/27/49/464382749.db2.gz WSCUYKCJPLSVFG-HNNXBMFYSA-N 0 0 335.360 2.220 40 0 EEABRN Cc1ccsc1CCC(=O)NCCCc1cnc2ncnn2c1 ZINC000238866555 464438785 /nfs/dbraw/zinc/43/87/85/464438785.db2.gz LXCVYJKKMUZCJP-UHFFFAOYSA-N 0 0 329.429 2.176 40 0 EEABRN CCOC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242614826 464457043 /nfs/dbraw/zinc/45/70/43/464457043.db2.gz PIWJASYTVXHSOK-KURKYZTESA-N 0 0 331.437 2.360 40 0 EEABRN C[C@H](c1nnnn1C)N1CCC(CN2CCc3ccccc32)CC1 ZINC000189269246 464466547 /nfs/dbraw/zinc/46/65/47/464466547.db2.gz FPZZTOXJRCKIGL-CQSZACIVSA-N 0 0 326.448 2.046 40 0 EEABRN C[S@](=O)CCCNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000245289903 464470313 /nfs/dbraw/zinc/47/03/13/464470313.db2.gz FZIWIWLRVZTRAB-OKHZJLECSA-N 0 0 344.864 2.238 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)C2CC2)C12CCCC2 ZINC000245339061 464470543 /nfs/dbraw/zinc/47/05/43/464470543.db2.gz QFQCJKYXHSXMQL-OWCLPIDISA-N 0 0 334.460 2.241 40 0 EEABRN Cn1cc(C[C@H]2CC(=O)N(Cc3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000189309249 464474225 /nfs/dbraw/zinc/47/42/25/464474225.db2.gz RJXPETJLBYGXRU-LBPRGKRZSA-N 0 0 335.766 2.330 40 0 EEABRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccncc1CC ZINC000265320977 464517331 /nfs/dbraw/zinc/51/73/31/464517331.db2.gz SBPVHIKZTVQKIZ-OAHLLOKOSA-N 0 0 339.461 2.177 40 0 EEABRN COC[C@@H](C)n1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000189921379 464563515 /nfs/dbraw/zinc/56/35/15/464563515.db2.gz LZOQDEBNOHKKHO-CHWSQXEVSA-N 0 0 332.408 2.225 40 0 EEABRN Cc1cc(CNC(=O)NC[C@H]2CCc3ccccc32)nc(N(C)C)n1 ZINC000190640020 464693321 /nfs/dbraw/zinc/69/33/21/464693321.db2.gz XOOFHEUCBSWODI-OAHLLOKOSA-N 0 0 339.443 2.380 40 0 EEABRN c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2cnccn2)n1 ZINC000247820586 464708055 /nfs/dbraw/zinc/70/80/55/464708055.db2.gz CWCOHGRFXBFCCC-XJKCOSOUSA-N 0 0 332.429 2.134 40 0 EEABRN O=C(C[C@H]1CN(CC2CCC2)Cc2ccnn21)NCc1ccco1 ZINC000247845487 464709275 /nfs/dbraw/zinc/70/92/75/464709275.db2.gz GYEUGMQEEKOPDJ-INIZCTEOSA-N 0 0 328.416 2.339 40 0 EEABRN O=C(c1cocn1)N1CC2(C1)C[C@H](CCOc1ccccn1)CCO2 ZINC000247893619 464713421 /nfs/dbraw/zinc/71/34/21/464713421.db2.gz ZEEPIXQEJTYDIX-CQSZACIVSA-N 0 0 343.383 2.160 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC000248135158 464732308 /nfs/dbraw/zinc/73/23/08/464732308.db2.gz OIHHFFSEWCAIRH-BFYDXBDKSA-N 0 0 348.472 2.073 40 0 EEABRN CC(C)CC(=O)NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21 ZINC000248227739 464740071 /nfs/dbraw/zinc/74/00/71/464740071.db2.gz JUAZBJHDHCITHG-QGZVFWFLSA-N 0 0 341.459 2.387 40 0 EEABRN COC[C@@](C)(NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000183035979 464780966 /nfs/dbraw/zinc/78/09/66/464780966.db2.gz MDIUHMUPFRTNJM-HXUWFJFHSA-N 0 0 338.407 2.402 40 0 EEABRN CC1(CNC(=O)Cc2cc(Br)ccc2F)OCCCO1 ZINC000191159141 464787141 /nfs/dbraw/zinc/78/71/41/464787141.db2.gz DEXKJAHIBQOVBP-UHFFFAOYSA-N 0 0 346.196 2.400 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000192206660 464885199 /nfs/dbraw/zinc/88/51/99/464885199.db2.gz NFYAISLARXBYIR-YPMHNXCESA-N 0 0 342.486 2.202 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000192679472 464975753 /nfs/dbraw/zinc/97/57/53/464975753.db2.gz VJORDCYGJFQXIY-AWEZNQCLSA-N 0 0 328.416 2.075 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000252515462 464977704 /nfs/dbraw/zinc/97/77/04/464977704.db2.gz KGOMHKWVBJQRJM-BZPMIXESSA-N 0 0 347.889 2.159 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 ZINC000253394772 464998877 /nfs/dbraw/zinc/99/88/77/464998877.db2.gz BJRFLZCALDGWRQ-WKPIXPDZSA-N 0 0 327.783 2.474 40 0 EEABRN CC(C)n1cnc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000253395878 465000100 /nfs/dbraw/zinc/00/01/00/465000100.db2.gz UMLFTJKGWDAVEF-ZDUSSCGKSA-N 0 0 337.370 2.323 40 0 EEABRN COc1nccc(NC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1 ZINC000253429792 465013431 /nfs/dbraw/zinc/01/34/31/465013431.db2.gz UPQOIOVXWQQLNA-JSGCOSHPSA-N 0 0 328.372 2.479 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F)N1CCCC1 ZINC000306125401 466489612 /nfs/dbraw/zinc/48/96/12/466489612.db2.gz CPFUOZWPVQPJIV-AWEZNQCLSA-N 0 0 349.406 2.296 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@@H](Oc3cccnc3)C2)n(C)n1 ZINC000306142686 466493944 /nfs/dbraw/zinc/49/39/44/466493944.db2.gz XGLDUDDDCCMOAT-IBGZPJMESA-N 0 0 337.427 2.388 40 0 EEABRN CCc1nc(N)c2c(n1)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000408712782 466681921 /nfs/dbraw/zinc/68/19/21/466681921.db2.gz QPCZZYLXTYUOFC-LLVKDONJSA-N 0 0 327.384 2.551 40 0 EEABRN CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)N(C)C1=S ZINC000409046431 466684497 /nfs/dbraw/zinc/68/44/97/466684497.db2.gz RHWVWIBRPGCEEG-POHAHGRESA-N 0 0 326.805 2.474 40 0 EEABRN O=C(Nc1ccccc1F)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000409182505 466686537 /nfs/dbraw/zinc/68/65/37/466686537.db2.gz LYWDMOMGYQWRRF-WBMJQRKESA-N 0 0 344.342 2.398 40 0 EEABRN CC(C)(C)OC(=O)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833944 467414251 /nfs/dbraw/zinc/41/42/51/467414251.db2.gz PFZIYKWQPCKKSJ-DZGCQCFKSA-N 0 0 336.407 2.406 40 0 EEABRN CC(=O)NCC(=O)Nc1nc2ccc(F)cc2n1-c1ccccc1F ZINC000390833668 467414377 /nfs/dbraw/zinc/41/43/77/467414377.db2.gz LDUCLQHGZMYOLN-UHFFFAOYSA-N 0 0 344.321 2.378 40 0 EEABRN CS[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000390834297 467414417 /nfs/dbraw/zinc/41/44/17/467414417.db2.gz VXNUEXZCOMOXQT-CQSZACIVSA-N 0 0 336.438 2.377 40 0 EEABRN O=C(N1CC2(C1)C[C@H](OCC1CCOCC1)CS2)C1(F)CC1 ZINC000575405749 468142633 /nfs/dbraw/zinc/14/26/33/468142633.db2.gz ZRKISYMQAYQJSU-ZDUSSCGKSA-N 0 0 329.437 2.018 40 0 EEABRN O=C(CC1CC1)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575406800 468142672 /nfs/dbraw/zinc/14/26/72/468142672.db2.gz UBPUJMOFVDKDQM-SZMVWBNQSA-N 0 0 330.428 2.262 40 0 EEABRN CCOC(=O)CCC(=O)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575604966 468145325 /nfs/dbraw/zinc/14/53/25/468145325.db2.gz DOVHVLMYOLDXPZ-NSHDSACASA-N 0 0 326.780 2.058 40 0 EEABRN CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H](c3ccccn3)C2)cn1 ZINC000575605975 468145899 /nfs/dbraw/zinc/14/58/99/468145899.db2.gz FTVYETAUGRLCJB-IQIBNGDESA-N 0 0 336.395 2.464 40 0 EEABRN O=C(Cc1cccs1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575608842 468147617 /nfs/dbraw/zinc/14/76/17/468147617.db2.gz POFGXEPZWROLFX-UHFFFAOYSA-N 0 0 328.441 2.307 40 0 EEABRN COC[C@H]1CCn2nccc2CN1C(=O)COc1ccccc1C ZINC000585097831 468965666 /nfs/dbraw/zinc/96/56/66/468965666.db2.gz RMOPDIMBRLYXKP-MRXNPFEDSA-N 0 0 329.400 2.018 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccccc1F)[C@H]2C ZINC000585097647 468965786 /nfs/dbraw/zinc/96/57/86/468965786.db2.gz OTXRFUXETCBEJD-LBPRGKRZSA-N 0 0 332.379 2.100 40 0 EEABRN Cc1cncc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c1 ZINC000585099140 468966674 /nfs/dbraw/zinc/96/66/74/468966674.db2.gz PDKOXDZFWQOCCW-QGZVFWFLSA-N 0 0 326.400 2.038 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C ZINC000585097949 468966731 /nfs/dbraw/zinc/96/67/31/468966731.db2.gz PPXOEFPEWLEZSJ-AWEZNQCLSA-N 0 0 332.448 2.141 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000585103571 468970693 /nfs/dbraw/zinc/97/06/93/468970693.db2.gz XWOUFGYGNYGWTJ-GUYCJALGSA-N 0 0 336.457 2.143 40 0 EEABRN O=C(NC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111601 468974663 /nfs/dbraw/zinc/97/46/63/468974663.db2.gz DKKJIMFIFCFNKK-GOSISDBHSA-N 0 0 339.443 2.245 40 0 EEABRN NC(=O)[C@H]1CCN(c2ncc(Br)c3ccc(F)cc32)C1 ZINC000585140830 468989931 /nfs/dbraw/zinc/98/99/31/468989931.db2.gz JWIZQDIVEVDUBR-QMMMGPOBSA-N 0 0 338.180 2.448 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2ccncc2C)C1 ZINC000585275455 468999244 /nfs/dbraw/zinc/99/92/44/468999244.db2.gz CIUOXHZSSIPQII-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN CC(=O)N1CCC[C@]1(CO)CC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000585281566 469007382 /nfs/dbraw/zinc/00/73/82/469007382.db2.gz ZMEAGIOPOQYGSR-QGZVFWFLSA-N 0 0 338.835 2.062 40 0 EEABRN COc1ncccc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585285368 469007883 /nfs/dbraw/zinc/00/78/83/469007883.db2.gz OSVYTWUUBFGNIJ-KBRIMQKVSA-N 0 0 342.395 2.039 40 0 EEABRN CC1(C)C[C@]2(CCCN2C(=O)Cc2cccc(F)c2)[C@H](CC(N)=O)O1 ZINC000585288347 469010270 /nfs/dbraw/zinc/01/02/70/469010270.db2.gz WNYRVPHAPMFDDY-HNAYVOBHSA-N 0 0 348.418 2.172 40 0 EEABRN O=C([O-])CN1CCCC[C@@H]([NH+]2CCC(c3ccccc3F)CC2)C1=O ZINC000643874438 470808320 /nfs/dbraw/zinc/80/83/20/470808320.db2.gz WVWKQGQALHHRFF-QGZVFWFLSA-N 0 0 348.418 2.471 40 0 EEABRN C[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1 ZINC000096461472 534105641 /nfs/dbraw/zinc/10/56/41/534105641.db2.gz NAGLPJATYGWFSO-LLVKDONJSA-N 0 0 349.385 2.148 40 0 EEABRN O=C(NCCOc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000059483871 534387022 /nfs/dbraw/zinc/38/70/22/534387022.db2.gz BWOAMKFRKIGWHE-UHFFFAOYSA-N 0 0 332.787 2.151 40 0 EEABRN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@](F)(CO)C1 ZINC000253393214 519671228 /nfs/dbraw/zinc/67/12/28/519671228.db2.gz YGZUDMOTTZVWNV-BFYDXBDKSA-N 0 0 330.444 2.476 40 0 EEABRN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000187634586 528410336 /nfs/dbraw/zinc/41/03/36/528410336.db2.gz DPXHURFFLTVJLS-RHSMWYFYSA-N 0 0 338.492 2.327 40 0 EEABRN CCN(c1ccc(NC(=O)C(=O)Nc2ccn(C)n2)cc1)C(C)C ZINC000131673887 528933698 /nfs/dbraw/zinc/93/36/98/528933698.db2.gz IYHJPRWHSRVYLL-UHFFFAOYSA-N 0 0 329.404 2.232 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](c3cnccn3)C2)o1 ZINC000257230650 534951622 /nfs/dbraw/zinc/95/16/22/534951622.db2.gz GDGDODLWMFSTAI-CYBMUJFWSA-N 0 0 329.404 2.322 40 0 EEABRN CC(C)=CC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220863414 535341531 /nfs/dbraw/zinc/34/15/31/535341531.db2.gz XUQFPXNUYUYHDO-CYBMUJFWSA-N 0 0 327.388 2.274 40 0 EEABRN CCN(CC)C(=O)CN1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257208389 535428374 /nfs/dbraw/zinc/42/83/74/535428374.db2.gz BLZJTOYWUVZIDL-UHFFFAOYSA-N 0 0 343.471 2.018 40 0 EEABRN CCc1ccnc(CNC(=O)N2CCC(N3CCCCC3=O)CC2)c1 ZINC000242338917 536003611 /nfs/dbraw/zinc/00/36/11/536003611.db2.gz ZDMCORXKSYEUDV-UHFFFAOYSA-N 0 0 344.459 2.331 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)n1 ZINC000257227724 536421531 /nfs/dbraw/zinc/42/15/31/536421531.db2.gz FQPSWNDDSBWLOP-OAHLLOKOSA-N 0 0 336.399 2.452 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cncnc3C)CC2)cn1 ZINC000257261511 536421823 /nfs/dbraw/zinc/42/18/23/536421823.db2.gz LHROVCKWNDJXMZ-AWEZNQCLSA-N 0 0 340.431 2.102 40 0 EEABRN COC1(C(F)(F)F)CN(C(=O)Nc2cc(C)c3nccn3c2)C1 ZINC000931556310 1207412181 /nfs/dbraw/zinc/41/21/81/1207412181.db2.gz ADYKUHAIPPFZNG-UHFFFAOYSA-N 0 0 328.294 2.438 40 0 EEABRN O=S(=O)(c1ccc(-c2nnc3n2CCCC3)cc1)N1CCCC1 ZINC000863967346 1208471756 /nfs/dbraw/zinc/47/17/56/1208471756.db2.gz UPFCIOAMYRHTKH-UHFFFAOYSA-N 0 0 332.429 2.066 40 0 EEABRN Cn1cc(N2C[C@@H](c3nc(Cc4cccs4)no3)CCC2=O)cn1 ZINC000901908430 1236606232 /nfs/dbraw/zinc/60/62/32/1236606232.db2.gz FMCHRBJDZZCAFL-NSHDSACASA-N 0 0 343.412 2.366 40 0 EEABRN CCOC(=O)[C@H](NC(=O)OCc1ccccc1)P(=O)(OC)OC ZINC000002577488 1349948237 /nfs/dbraw/zinc/94/82/37/1349948237.db2.gz UKCIYRLSZNPVJK-GFCCVEGCSA-N 0 0 345.288 2.288 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000025896683 1352369742 /nfs/dbraw/zinc/36/97/42/1352369742.db2.gz CKRMZBJJZJOMNZ-SECBINFHSA-N 0 0 334.800 2.089 40 0 EEABRN Cc1ccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095117158 1357763855 /nfs/dbraw/zinc/76/38/55/1357763855.db2.gz UIIRCELSPYOREK-MRXNPFEDSA-N 0 0 349.452 2.364 40 0 EEABRN CCCN(CC(=O)N(C)C)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000055298332 214303388 /nfs/dbraw/zinc/30/33/88/214303388.db2.gz RNQLILAIGNJMPB-UHFFFAOYSA-N 0 0 336.457 2.104 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2C)c1 ZINC000056139307 214360981 /nfs/dbraw/zinc/36/09/81/214360981.db2.gz AXPSFCPSUVBPCX-UHFFFAOYSA-N 0 0 349.408 2.139 40 0 EEABRN CCOC(=O)CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000101273929 219120418 /nfs/dbraw/zinc/12/04/18/219120418.db2.gz AYHYKCAMJUZLPZ-LLVKDONJSA-N 0 0 327.789 2.268 40 0 EEABRN Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc3c(c2)no[n+]3[O-])cc1 ZINC000004286702 210161836 /nfs/dbraw/zinc/16/18/36/210161836.db2.gz HLOXTLIHZCLGRU-HSZRJFAPSA-N 0 0 331.353 2.067 40 0 EEABRN O=C(CCC(=O)N1CCC[C@@H](c2ccccc2)CC1)N1CCOCC1 ZINC000066765532 215077283 /nfs/dbraw/zinc/07/72/83/215077283.db2.gz BDSZCVQNJZVANQ-GOSISDBHSA-N 0 0 344.455 2.422 40 0 EEABRN Cc1ccn(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 ZINC000002786704 209912119 /nfs/dbraw/zinc/91/21/19/209912119.db2.gz ULSGOFIVTCYLMI-UHFFFAOYSA-N 0 0 332.429 2.260 40 0 EEABRN Nc1cccc(S[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000104186708 219356914 /nfs/dbraw/zinc/35/69/14/219356914.db2.gz CMGHQGOZLOJZKD-HNNXBMFYSA-N 0 0 342.376 2.422 40 0 EEABRN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000005072309 290923281 /nfs/dbraw/zinc/92/32/81/290923281.db2.gz OHGXOHOVNAUOKX-NSHDSACASA-N 0 0 329.381 2.437 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCn2ncc3c2cccc3C)CC1 ZINC000040758337 213383737 /nfs/dbraw/zinc/38/37/37/213383737.db2.gz DCUDDKUNQBDHOK-UHFFFAOYSA-N 0 0 344.415 2.036 40 0 EEABRN CC(C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3c(nnn3C)C2)cc1 ZINC000585090856 539980393 /nfs/dbraw/zinc/98/03/93/539980393.db2.gz RXGFSTQMLIMRDF-AWEZNQCLSA-N 0 0 341.415 2.333 40 0 EEABRN CC(C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000585090857 539980516 /nfs/dbraw/zinc/98/05/16/539980516.db2.gz RXGFSTQMLIMRDF-CQSZACIVSA-N 0 0 341.415 2.333 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000040160555 213277511 /nfs/dbraw/zinc/27/75/11/213277511.db2.gz XQDXYHFMTUTSCF-VFADXPBXSA-N 0 0 345.395 2.273 40 0 EEABRN C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)c1nccs1 ZINC000187027469 236098351 /nfs/dbraw/zinc/09/83/51/236098351.db2.gz MOKWBMUZYYTCMZ-GFCCVEGCSA-N 0 0 346.460 2.323 40 0 EEABRN CCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C ZINC000257206429 283379867 /nfs/dbraw/zinc/37/98/67/283379867.db2.gz BDJQFLDBBXWAFS-AEFFLSMTSA-N 0 0 332.444 2.447 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)N1CCCCC1 ZINC000106757427 237114682 /nfs/dbraw/zinc/11/46/82/237114682.db2.gz HGQTYVUTEJXSBG-RAXLEYEMSA-N 0 0 331.397 2.130 40 0 EEABRN Cc1noc([C@@H]2CCCN(C(=O)c3nc4cccnc4s3)C2)n1 ZINC000193895630 240350877 /nfs/dbraw/zinc/35/08/77/240350877.db2.gz SYVVRONLIZKBGV-SNVBAGLBSA-N 0 0 329.385 2.403 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1C ZINC000193412743 237389138 /nfs/dbraw/zinc/38/91/38/237389138.db2.gz UODLJDQKKWUEBL-UHFFFAOYSA-N 0 0 343.358 2.136 40 0 EEABRN CSCc1cccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000072240329 216079668 /nfs/dbraw/zinc/07/96/68/216079668.db2.gz LZZWAPYRNXNICE-UHFFFAOYSA-N 0 0 336.438 2.449 40 0 EEABRN CC(C)C(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 ZINC000072361941 216168286 /nfs/dbraw/zinc/16/82/86/216168286.db2.gz DADBGOPGVVJYBM-CYBMUJFWSA-N 0 0 326.404 2.372 40 0 EEABRN Cc1ccccc1Oc1nccnc1C1CCN(CC(N)=O)CC1 ZINC000072367852 216175137 /nfs/dbraw/zinc/17/51/37/216175137.db2.gz VHGNKUPUDQMTNN-UHFFFAOYSA-N 0 0 326.400 2.242 40 0 EEABRN COc1ccc([C@H]2CN(c3cc(C)ncn3)CCN2C(C)=O)cc1 ZINC000072369021 216175900 /nfs/dbraw/zinc/17/59/00/216175900.db2.gz KKQKEZJNRHOTSN-QGZVFWFLSA-N 0 0 326.400 2.203 40 0 EEABRN Cc1nc(NC(=O)COC[C@H]2CCCO2)ccc1Br ZINC000072512114 216266550 /nfs/dbraw/zinc/26/65/50/216266550.db2.gz FYQDTUQMYPUCBP-SNVBAGLBSA-N 0 0 329.194 2.287 40 0 EEABRN Cn1cccc1[C@H]1CCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000072832172 216312720 /nfs/dbraw/zinc/31/27/20/216312720.db2.gz VSYBSVAHWISOCO-OAHLLOKOSA-N 0 0 343.431 2.209 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108532131 219901298 /nfs/dbraw/zinc/90/12/98/219901298.db2.gz VGYHLZSLPFOPMN-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)CCCc3ccccn3)CC2)S1 ZINC000073118509 216351991 /nfs/dbraw/zinc/35/19/91/216351991.db2.gz GLUODYGXIXLINX-CQSZACIVSA-N 0 0 332.473 2.040 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000073574084 216396637 /nfs/dbraw/zinc/39/66/37/216396637.db2.gz OWBBEAXGJOREEJ-OAHLLOKOSA-N 0 0 346.452 2.493 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000073574085 216397193 /nfs/dbraw/zinc/39/71/93/216397193.db2.gz OWBBEAXGJOREEJ-HNNXBMFYSA-N 0 0 346.452 2.493 40 0 EEABRN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1OC(F)F ZINC000132430204 223330283 /nfs/dbraw/zinc/33/02/83/223330283.db2.gz LRYZFVFBKPIZJG-NSHDSACASA-N 0 0 337.330 2.324 40 0 EEABRN O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCCc2cccnc21 ZINC000194460876 240589744 /nfs/dbraw/zinc/58/97/44/240589744.db2.gz UEVDFWDBJARTBQ-AWEZNQCLSA-N 0 0 335.367 2.263 40 0 EEABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000216264655 241178628 /nfs/dbraw/zinc/17/86/28/241178628.db2.gz OFXCYJQTDJQFJT-GFCCVEGCSA-N 0 0 340.445 2.289 40 0 EEABRN COC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597290 241332747 /nfs/dbraw/zinc/33/27/47/241332747.db2.gz NPBZAWBPJPJCOK-IXDOHACOSA-N 0 0 335.400 2.109 40 0 EEABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCO)c1ccccc1 ZINC000223333715 241635879 /nfs/dbraw/zinc/63/58/79/241635879.db2.gz MYTQTHTUXLRVDC-LJQANCHMSA-N 0 0 340.423 2.275 40 0 EEABRN O=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccn(-c2ccccc2F)n1 ZINC000225477279 241885156 /nfs/dbraw/zinc/88/51/56/241885156.db2.gz SUKVDNMFIOPENS-QGZVFWFLSA-N 0 0 345.399 2.394 40 0 EEABRN CC(C)CCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225952474 242079933 /nfs/dbraw/zinc/07/99/33/242079933.db2.gz KVHQWNPEVDBWAG-CQSZACIVSA-N 0 0 346.880 2.483 40 0 EEABRN Cc1ccc2nc(O)c(C(=O)NCc3ccccc3Cl)c(=O)n2c1 ZINC000226822273 242114131 /nfs/dbraw/zinc/11/41/31/242114131.db2.gz XMFXAQYPQJNMQY-UHFFFAOYSA-N 0 0 343.770 2.292 40 0 EEABRN O=C(Cn1ccc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000241810030 243003277 /nfs/dbraw/zinc/00/32/77/243003277.db2.gz SCONXGJWPAEMFL-IRXDYDNUSA-N 0 0 326.396 2.172 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020730543 212166875 /nfs/dbraw/zinc/16/68/75/212166875.db2.gz AJMACYPRLQPIQV-ZHALLVOQSA-N 0 0 338.407 2.056 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCc2cccc(F)c2)C1 ZINC000076374957 216760669 /nfs/dbraw/zinc/76/06/69/216760669.db2.gz FBJXGSFAZCOJGO-LSDHHAIUSA-N 0 0 327.421 2.230 40 0 EEABRN CCc1ccsc1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000076623039 216798357 /nfs/dbraw/zinc/79/83/57/216798357.db2.gz BEOUDWCXSPDHBH-UHFFFAOYSA-N 0 0 344.440 2.135 40 0 EEABRN CCSc1ccccc1C(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 ZINC000252539492 243855130 /nfs/dbraw/zinc/85/51/30/243855130.db2.gz OCSIXZFOGCXVQR-GFCCVEGCSA-N 0 0 329.425 2.169 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNC(=O)NCCc2nc(C(C)C)no2)c1 ZINC000252489239 243792577 /nfs/dbraw/zinc/79/25/77/243792577.db2.gz JMELFUNTWUGHIL-HNNXBMFYSA-N 0 0 346.431 2.385 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000020486063 212137465 /nfs/dbraw/zinc/13/74/65/212137465.db2.gz ZYHRWYSZRROVRP-UHFFFAOYSA-N 0 0 335.381 2.424 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(OC)c2)CC1 ZINC000020456236 212132265 /nfs/dbraw/zinc/13/22/65/212132265.db2.gz RFCOWVGHNJAWDR-ZDUSSCGKSA-N 0 0 335.400 2.264 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)on1 ZINC000257206121 244132624 /nfs/dbraw/zinc/13/26/24/244132624.db2.gz BBXZPKJTSJPTQL-OAHLLOKOSA-N 0 0 344.415 2.441 40 0 EEABRN Cc1ncc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)cn1 ZINC000257206693 244136997 /nfs/dbraw/zinc/13/69/97/244136997.db2.gz BEOMGCHZUVXYTR-ROUUACIJSA-N 0 0 331.391 2.328 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)n1 ZINC000257200106 244118703 /nfs/dbraw/zinc/11/87/03/244118703.db2.gz ACAFBCMEQUCTGL-AWEZNQCLSA-N 0 0 334.383 2.200 40 0 EEABRN Cc1ccc(C[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cn1 ZINC000257213711 244161015 /nfs/dbraw/zinc/16/10/15/244161015.db2.gz CITSDZHBRWXUSD-MRXNPFEDSA-N 0 0 331.441 2.428 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257222155 244188335 /nfs/dbraw/zinc/18/83/35/244188335.db2.gz DSDXPHAGFBRDJB-AWEZNQCLSA-N 0 0 327.384 2.129 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3cccc(COC)c3)CCO2)n1 ZINC000257222212 244188728 /nfs/dbraw/zinc/18/87/28/244188728.db2.gz DSKFPZMLWZQXOR-QGZVFWFLSA-N 0 0 341.411 2.483 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccs1 ZINC000257225378 244198998 /nfs/dbraw/zinc/19/89/98/244198998.db2.gz FFXVBLJOEYNLSE-SNVBAGLBSA-N 0 0 339.442 2.242 40 0 EEABRN O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1ccc2c(c1)OCO2 ZINC000257227239 244204676 /nfs/dbraw/zinc/20/46/76/244204676.db2.gz FOGUSUDMZGJQGS-OAHLLOKOSA-N 0 0 341.367 2.377 40 0 EEABRN NC(=O)[C@@]1(CCCc2cnccn2)CCN1Cc1ccc(F)cc1 ZINC000257235453 244226744 /nfs/dbraw/zinc/22/67/44/244226744.db2.gz GXXLAWDSUCLYST-GOSISDBHSA-N 0 0 328.391 2.068 40 0 EEABRN Cn1nccc1C(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257253226 244272643 /nfs/dbraw/zinc/27/26/43/244272643.db2.gz JYBFKROIGVTFQR-ZENOOKHLSA-N 0 0 329.375 2.489 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257258027 244288225 /nfs/dbraw/zinc/28/82/25/244288225.db2.gz KSBXDTNKBNDMHG-ZDUSSCGKSA-N 0 0 336.399 2.290 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257268670 244370822 /nfs/dbraw/zinc/37/08/22/244370822.db2.gz MMRCJLOCBBSEOO-HNNXBMFYSA-N 0 0 345.374 2.162 40 0 EEABRN NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1Cc1cncs1 ZINC000257269704 244372631 /nfs/dbraw/zinc/37/26/31/244372631.db2.gz MQZQTLKHHKGRTG-ZDUSSCGKSA-N 0 0 342.428 2.012 40 0 EEABRN O=C(COc1cccc(F)c1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257273255 244387278 /nfs/dbraw/zinc/38/72/78/244387278.db2.gz NFWHQQYYJLEZMV-CYBMUJFWSA-N 0 0 345.374 2.205 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccc(C)s2)n1 ZINC000257274868 244388589 /nfs/dbraw/zinc/38/85/89/244388589.db2.gz NMYKPIZFKZSEQE-GFCCVEGCSA-N 0 0 332.429 2.410 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257275704 244390884 /nfs/dbraw/zinc/39/08/84/244390884.db2.gz NQNDQMACUUEPTI-INIZCTEOSA-N 0 0 336.399 2.287 40 0 EEABRN Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000257275642 244391958 /nfs/dbraw/zinc/39/19/58/244391958.db2.gz NQFIILGVLHQGOB-OAHLLOKOSA-N 0 0 328.416 2.323 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnn1C(C)C ZINC000257276260 244395238 /nfs/dbraw/zinc/39/52/38/244395238.db2.gz NTAILZTXAGBTMM-LKCYJCQHSA-N 0 0 344.459 2.468 40 0 EEABRN CCn1nc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cc1C ZINC000257331319 244548570 /nfs/dbraw/zinc/54/85/70/244548570.db2.gz XSIVJRATHMUPEX-IEBWSBKVSA-N 0 0 343.427 2.256 40 0 EEABRN COc1ccc(OC)c(CN2CCN(c3nnc(C)s3)CC2)c1 ZINC000077487741 216917121 /nfs/dbraw/zinc/91/71/21/216917121.db2.gz XWZFCARZVJRIEI-UHFFFAOYSA-N 0 0 334.445 2.186 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)c1cnc(C2CC2)nc1 ZINC000257338780 244571010 /nfs/dbraw/zinc/57/10/10/244571010.db2.gz YYYIEEWCGFCZLZ-NVXWUHKLSA-N 0 0 342.443 2.217 40 0 EEABRN C[C@]12CN(C(=O)c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576445 212046007 /nfs/dbraw/zinc/04/60/07/212046007.db2.gz UMFYXIIKJFLJJI-UZLBHIALSA-N 0 0 334.375 2.144 40 0 EEABRN C[C@H](NC(=O)CC[C@@]1(C)NC(=O)NC1=O)c1ccc2c(c1)CCCC2 ZINC000019458788 212029959 /nfs/dbraw/zinc/02/99/59/212029959.db2.gz YROSWNZMWFDGTL-HXPMCKFVSA-N 0 0 343.427 2.121 40 0 EEABRN O=C(C1CC1)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000019293149 212012641 /nfs/dbraw/zinc/01/26/41/212012641.db2.gz NZAFEBHYZCMFRF-SCLBCKFNSA-N 0 0 334.366 2.340 40 0 EEABRN Cc1ccc(CN(CCCN2CCOCC2)Cc2[nH]cnc2C)o1 ZINC000019216427 212005136 /nfs/dbraw/zinc/00/51/36/212005136.db2.gz QRSMJLWAAAESHU-UHFFFAOYSA-N 0 0 332.448 2.344 40 0 EEABRN CN(C)C(=O)N1CCC(C(=O)O[C@H]2CCc3ccccc3C2)CC1 ZINC000078446345 217055087 /nfs/dbraw/zinc/05/50/87/217055087.db2.gz NYUKWMDGVXANGX-KRWDZBQOSA-N 0 0 330.428 2.481 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc(OC)ccc1OC ZINC000078551864 217074242 /nfs/dbraw/zinc/07/42/42/217074242.db2.gz DBGLZOHJEJXCRB-INIZCTEOSA-N 0 0 341.363 2.448 40 0 EEABRN O=C(CSCc1ccc(F)cc1Cl)N[C@H]1CCCCNC1=O ZINC000078555531 217075486 /nfs/dbraw/zinc/07/54/86/217075486.db2.gz JFCSHUPCXZKVHC-ZDUSSCGKSA-N 0 0 344.839 2.497 40 0 EEABRN COc1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2cc(C)no2)cc1F ZINC000078556193 217076215 /nfs/dbraw/zinc/07/62/15/217076215.db2.gz MSVQSMGLWUWWHY-SDWAUSNYSA-N 0 0 340.376 2.407 40 0 EEABRN COc1cccc(C[S@](=O)CC(=O)NCc2ccccc2F)c1 ZINC000078556245 217076408 /nfs/dbraw/zinc/07/64/08/217076408.db2.gz DEPOTFAKPSMUPF-HSZRJFAPSA-N 0 0 335.400 2.399 40 0 EEABRN C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)CC1CCCCC1 ZINC000078556408 217076881 /nfs/dbraw/zinc/07/68/81/217076881.db2.gz ZQQLXBHAOOHJIO-HZSPNIEDSA-N 0 0 331.478 2.006 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000078777164 217120087 /nfs/dbraw/zinc/12/00/87/217120087.db2.gz HHHFYPJHQIOTAK-RYUDHWBXSA-N 0 0 332.429 2.098 40 0 EEABRN COc1ccccc1CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078879468 217137625 /nfs/dbraw/zinc/13/76/25/217137625.db2.gz PWLHVPKWEZGWPB-AWEZNQCLSA-N 0 0 334.416 2.363 40 0 EEABRN Cc1nc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)sc1C ZINC000078998958 217170055 /nfs/dbraw/zinc/17/00/55/217170055.db2.gz RTALKFBBCTYWBQ-UHFFFAOYSA-N 0 0 331.445 2.159 40 0 EEABRN COC(=O)c1occc1Cn1nc(-c2ccccc2F)ccc1=O ZINC000078970140 217160525 /nfs/dbraw/zinc/16/05/25/217160525.db2.gz JOVWRRAADJKDAO-UHFFFAOYSA-N 0 0 328.299 2.477 40 0 EEABRN CCCN(CCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000079027985 217176960 /nfs/dbraw/zinc/17/69/60/217176960.db2.gz GFRGPZPGSJCLRB-UHFFFAOYSA-N 0 0 332.853 2.035 40 0 EEABRN CN(C(=O)Cc1cccc(O)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000079028579 217177720 /nfs/dbraw/zinc/17/77/20/217177720.db2.gz LTUAWUFJNJBSAW-QGZVFWFLSA-N 0 0 342.370 2.338 40 0 EEABRN COCCNC(=O)c1ccc(NC[C@@H](C)Cn2nc(C)cc2C)nc1 ZINC000079029449 217177801 /nfs/dbraw/zinc/17/78/01/217177801.db2.gz NEMQTHVFYRHCEJ-CYBMUJFWSA-N 0 0 345.447 2.019 40 0 EEABRN CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000079038591 217179803 /nfs/dbraw/zinc/17/98/03/217179803.db2.gz IQPFOKVYXLBAFD-CABZTGNLSA-N 0 0 348.262 2.450 40 0 EEABRN CN(CCCCNc1ncccc1S(N)(=O)=O)c1ccccc1 ZINC000079037648 217180102 /nfs/dbraw/zinc/18/01/02/217180102.db2.gz AENVIZJTCWRDCB-UHFFFAOYSA-N 0 0 334.445 2.058 40 0 EEABRN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H](c2cnccn2)C1 ZINC000257305899 296191719 /nfs/dbraw/zinc/19/17/19/296191719.db2.gz SRZXNZCIVZPAKQ-CQSZACIVSA-N 0 0 338.411 2.476 40 0 EEABRN Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1N[C@H]1CCN(C)C1=O ZINC000081156269 217365277 /nfs/dbraw/zinc/36/52/77/217365277.db2.gz FVCCBKNBJIRHSO-NSHDSACASA-N 0 0 347.312 2.069 40 0 EEABRN CCCc1nnc(NC(=O)N[C@H]2CCCn3nc(CC)nc32)s1 ZINC000088348080 217747776 /nfs/dbraw/zinc/74/77/76/217747776.db2.gz HJUOWPWPDBMLGQ-VIFPVBQESA-N 0 0 335.437 2.301 40 0 EEABRN Cc1cccc(CCC(=O)N2CCC(C(=O)c3ccnn3C)CC2)n1 ZINC000012337218 211351379 /nfs/dbraw/zinc/35/13/79/211351379.db2.gz PQTOQOKCUBVQCS-UHFFFAOYSA-N 0 0 340.427 2.178 40 0 EEABRN CCCC(=O)NCCc1nc2cc(-c3ccc(OC)cc3)ncn2n1 ZINC000012242094 211328822 /nfs/dbraw/zinc/32/88/22/211328822.db2.gz GALICELFRVKHMJ-UHFFFAOYSA-N 0 0 339.399 2.259 40 0 EEABRN CC(=O)c1csc(NC(=O)COc2cccc3nsnc32)n1 ZINC000012198165 211317910 /nfs/dbraw/zinc/31/79/10/211317910.db2.gz MVDJVVNMXWUIES-UHFFFAOYSA-N 0 0 334.382 2.368 40 0 EEABRN C[C@@H]1CN(Cc2cc(Cl)ccc2Br)C[C@H](C(N)=O)O1 ZINC000092006438 218103588 /nfs/dbraw/zinc/10/35/88/218103588.db2.gz WIIHHTXNISAZBG-PRHODGIISA-N 0 0 347.640 2.177 40 0 EEABRN O=C(c1cnccn1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096220550 284749957 /nfs/dbraw/zinc/74/99/57/284749957.db2.gz WNGIBDDMLDYFKU-MRXNPFEDSA-N 0 0 339.395 2.319 40 0 EEABRN Cn1cc([C@@H](CO)NC(=O)NCC2(c3cccs3)CCCC2)cn1 ZINC000095441630 218386476 /nfs/dbraw/zinc/38/64/76/218386476.db2.gz MVKUIENXKPVQRE-CQSZACIVSA-N 0 0 348.472 2.326 40 0 EEABRN Cc1c(CNC(=O)NCCc2nc3c(s2)CCCC3)cnn1C ZINC000095451699 218395739 /nfs/dbraw/zinc/39/57/39/218395739.db2.gz CLVBPZRBXMBGPA-UHFFFAOYSA-N 0 0 333.461 2.106 40 0 EEABRN Cc1ccc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000007539139 210812403 /nfs/dbraw/zinc/81/24/03/210812403.db2.gz FAVPSJVZHAWMAO-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN c1cc(COC[C@@]23CCCO[C@H]2CCN(c2ccncn2)C3)ccn1 ZINC000096065142 218561154 /nfs/dbraw/zinc/56/11/54/218561154.db2.gz PKAGMTBEMFIRIC-HKUYNNGSSA-N 0 0 340.427 2.464 40 0 EEABRN Fc1cnc(N2CCO[C@H]3C[C@H](COCc4ccccn4)C[C@@H]32)nc1 ZINC000096082919 218581643 /nfs/dbraw/zinc/58/16/43/218581643.db2.gz JHTFGWKIKYXHBF-COXVUDFISA-N 0 0 344.390 2.211 40 0 EEABRN O=C(c1ccoc1)N1CC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096110878 218606833 /nfs/dbraw/zinc/60/68/33/218606833.db2.gz CPSXZRCGFHCKSO-WMZOPIPTSA-N 0 0 328.368 2.265 40 0 EEABRN COCCN1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)C1=O ZINC000096202844 218677549 /nfs/dbraw/zinc/67/75/49/218677549.db2.gz HSONSMKTQKLTQS-UHFFFAOYSA-N 0 0 331.416 2.098 40 0 EEABRN Clc1cncc(OC[C@H]2CO[C@@H]3CN(c4ncccn4)C[C@H]23)c1 ZINC000096218559 218693774 /nfs/dbraw/zinc/69/37/74/218693774.db2.gz RIIUMAKLPFQNQC-NILFDRSVSA-N 0 0 332.791 2.055 40 0 EEABRN COCCNc1ccnc([C@H]2COCCN2Cc2ccccc2F)n1 ZINC000096219512 218694996 /nfs/dbraw/zinc/69/49/96/218694996.db2.gz MQLYYQMJDCMIBY-MRXNPFEDSA-N 0 0 346.406 2.248 40 0 EEABRN NC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCC2 ZINC000006242881 210604511 /nfs/dbraw/zinc/60/45/11/210604511.db2.gz SAHJFQXUAHHUDF-UHFFFAOYSA-N 0 0 335.410 2.056 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)c1cc(C)nn1CC ZINC000096411812 218767814 /nfs/dbraw/zinc/76/78/14/218767814.db2.gz IYBHDNZPIFDSEM-UHFFFAOYSA-N 0 0 325.376 2.002 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCCC[C@@H]2C)ccc1=O ZINC000096413515 218770155 /nfs/dbraw/zinc/77/01/55/218770155.db2.gz AIHJFKDYSPICPW-KBPBESRZSA-N 0 0 333.432 2.139 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1F ZINC000096420315 218784627 /nfs/dbraw/zinc/78/46/27/218784627.db2.gz QOJOSSUUBOHBFL-INIZCTEOSA-N 0 0 328.359 2.207 40 0 EEABRN COc1ccc(CN2CCN(C(=O)c3ccncc3F)CC2)cc1F ZINC000096420622 218785092 /nfs/dbraw/zinc/78/50/92/218785092.db2.gz GYDSUWLQQXAXGW-UHFFFAOYSA-N 0 0 347.365 2.326 40 0 EEABRN Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)[C@H](C)[C@H]3C)c2n1 ZINC000096420856 218785823 /nfs/dbraw/zinc/78/58/23/218785823.db2.gz HOLDLECIQQGMGK-CHWSQXEVSA-N 0 0 332.425 2.191 40 0 EEABRN C[C@H](CNC(=O)c1cc(Br)cn1C)CC1(C)OCCO1 ZINC000096443726 218825373 /nfs/dbraw/zinc/82/53/73/218825373.db2.gz UHNIZFAKIQMHAE-JTQLQIEISA-N 0 0 345.237 2.307 40 0 EEABRN COc1ccsc1S(=O)(=O)NCCc1ccn(C(C)C)n1 ZINC000096472689 218850441 /nfs/dbraw/zinc/85/04/41/218850441.db2.gz PMAILLAZSDBYNV-UHFFFAOYSA-N 0 0 329.447 2.055 40 0 EEABRN CC(C)S(=O)(=O)CCS(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000096455458 218840369 /nfs/dbraw/zinc/84/03/69/218840369.db2.gz HUTBQYPWDBUANR-HNNXBMFYSA-N 0 0 330.471 2.302 40 0 EEABRN COC[C@@H](C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096501198 218877049 /nfs/dbraw/zinc/87/70/49/218877049.db2.gz MZTXWFVWHSOTLI-VIFPVBQESA-N 0 0 326.340 2.003 40 0 EEABRN COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)c1C ZINC000096744662 218888929 /nfs/dbraw/zinc/88/89/29/218888929.db2.gz OZCMSSRKKIAAQA-UHFFFAOYSA-N 0 0 346.408 2.459 40 0 EEABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)on2)CC1=O ZINC000005002156 210357132 /nfs/dbraw/zinc/35/71/32/210357132.db2.gz SXGNBZLPTFSCMY-LBPRGKRZSA-N 0 0 329.356 2.373 40 0 EEABRN CCOC(=O)C[C@@]1(O)c2ccccc2N(Cc2ccccc2)C1=O ZINC000004974880 210345379 /nfs/dbraw/zinc/34/53/79/210345379.db2.gz UAMHNXIGBXBFPC-LJQANCHMSA-N 0 0 325.364 2.374 40 0 EEABRN Cc1cnc(CCN(C)C(=O)CSc2nnc3ccccn32)s1 ZINC000097370257 219015319 /nfs/dbraw/zinc/01/53/19/219015319.db2.gz DMNMXINNZKVFKH-UHFFFAOYSA-N 0 0 347.469 2.287 40 0 EEABRN C[C@@H](c1ccsc1)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000097379130 219019920 /nfs/dbraw/zinc/01/99/20/219019920.db2.gz HXAAMEJZPQBLPB-ZDUSSCGKSA-N 0 0 337.489 2.116 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N1CCC(n2ccnc2)CC1 ZINC000187490558 533137603 /nfs/dbraw/zinc/13/76/03/533137603.db2.gz DKJFANPGNOLAKP-CYBMUJFWSA-N 0 0 329.404 2.394 40 0 EEABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1 ZINC000269145180 255535749 /nfs/dbraw/zinc/53/57/49/255535749.db2.gz JOMUOAIUWPIKFE-UHFFFAOYSA-N 0 0 346.471 2.335 40 0 EEABRN CCN1C[C@@H](c2nc(Cc3csc([C@@H](C)OC)n3)no2)CC1=O ZINC000273970639 256342227 /nfs/dbraw/zinc/34/22/27/256342227.db2.gz KFGIWRHGXAKUSW-ZJUUUORDSA-N 0 0 336.417 2.160 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408739158 257889721 /nfs/dbraw/zinc/88/97/21/257889721.db2.gz YPQZSJGHBWOIAK-OAHLLOKOSA-N 0 0 339.351 2.348 40 0 EEABRN CC1(C)CCC[C@H]1NC(=O)NC[C@H](c1cccnc1)N1CCOCC1 ZINC000095408902 257834704 /nfs/dbraw/zinc/83/47/04/257834704.db2.gz OQBWNXQTOWXPPC-IAGOWNOFSA-N 0 0 346.475 2.333 40 0 EEABRN Cn1nccc1CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000225799916 257844099 /nfs/dbraw/zinc/84/40/99/257844099.db2.gz CYINMHSMBZQJRT-INIZCTEOSA-N 0 0 332.791 2.273 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000306130108 257920031 /nfs/dbraw/zinc/92/00/31/257920031.db2.gz IWINDTRVBUMBDN-VYDXJSESSA-N 0 0 330.428 2.262 40 0 EEABRN CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 ZINC000027028617 258005453 /nfs/dbraw/zinc/00/54/53/258005453.db2.gz YAPQXORASKDGDU-ZIAGYGMSSA-N 0 0 348.428 2.307 40 0 EEABRN COCC(=O)N1[C@@H]2CC[C@H]1c1cnc3cc(C(C)(C)C)nn3c1C2 ZINC000019084275 292178990 /nfs/dbraw/zinc/17/89/90/292178990.db2.gz QKRXEEYSQBSRJP-YPMHNXCESA-N 0 0 328.416 2.261 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257241533 286292834 /nfs/dbraw/zinc/29/28/34/286292834.db2.gz HYJBZNQFRLHQST-HKUYNNGSSA-N 0 0 333.428 2.343 40 0 EEABRN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173464899 152167781 /nfs/dbraw/zinc/16/77/81/152167781.db2.gz LNLOIYXSNDEJBP-SUMWQHHRSA-N 0 0 348.491 2.265 40 0 EEABRN CCOC(=O)C1CCN(c2nc(C)nc3c(C)nn(CC)c32)CC1 ZINC000057355273 276274964 /nfs/dbraw/zinc/27/49/64/276274964.db2.gz KCGCIEDJTVWSPM-UHFFFAOYSA-N 0 0 331.420 2.243 40 0 EEABRN CC(C)(C)N1C[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)CC1=O ZINC000080785850 278352382 /nfs/dbraw/zinc/35/23/82/278352382.db2.gz ZTTRGSCWSGGOAL-JTQLQIEISA-N 0 0 348.827 2.157 40 0 EEABRN CC(C)C[C@@H](C(=O)Nc1ccncc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000022519708 278952373 /nfs/dbraw/zinc/95/23/73/278952373.db2.gz FKBRFOCUVJTONB-JYJNAYRXSA-N 0 0 341.411 2.386 40 0 EEABRN Cc1nc([C@H]2CCN2S(C)(=O)=O)cc(N2Cc3ccccc3C2)n1 ZINC000072387680 279109012 /nfs/dbraw/zinc/10/90/12/279109012.db2.gz ZFVCMPPBPJRMHI-MRXNPFEDSA-N 0 0 344.440 2.012 40 0 EEABRN Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)c1ccsc1)C2 ZINC000096198586 279431183 /nfs/dbraw/zinc/43/11/83/279431183.db2.gz QZUVJIWFVWOUGB-ZDUSSCGKSA-N 0 0 332.429 2.043 40 0 EEABRN O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCCO1 ZINC000152654676 280130609 /nfs/dbraw/zinc/13/06/09/280130609.db2.gz FCHFKQWMEGKHKM-AWEZNQCLSA-N 0 0 349.456 2.102 40 0 EEABRN Cc1ccc2nc(-n3ccc4c(cnc5ncnn54)c3=O)sc2c1 ZINC000038784081 281149248 /nfs/dbraw/zinc/14/92/48/281149248.db2.gz DENUSMIHQZAVBQ-UHFFFAOYSA-N 0 0 334.364 2.347 40 0 EEABRN CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)ncn1 ZINC000257307527 289028548 /nfs/dbraw/zinc/02/85/48/289028548.db2.gz SZCAQBHQNFKZDA-AWEZNQCLSA-N 0 0 346.475 2.396 40 0 EEABRN Cc1nc([C@@H]2CCN2S(C)(=O)=O)cc(N2Cc3ccccc3C2)n1 ZINC000072387679 293372638 /nfs/dbraw/zinc/37/26/38/293372638.db2.gz ZFVCMPPBPJRMHI-INIZCTEOSA-N 0 0 344.440 2.012 40 0 EEABRN Cn1cc(S(=O)(=O)N2CCCN(C)c3ccc(Cl)cc32)cn1 ZINC000096428433 294269402 /nfs/dbraw/zinc/26/94/02/294269402.db2.gz KCHJPMWTXNEABB-UHFFFAOYSA-N 0 0 340.836 2.109 40 0 EEABRN Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)cn1 ZINC000333872467 312208055 /nfs/dbraw/zinc/20/80/55/312208055.db2.gz BYJOSRSBCDJOMI-INIZCTEOSA-N 0 0 331.441 2.379 40 0 EEABRN O=C(c1cn[nH]c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000155537221 323332743 /nfs/dbraw/zinc/33/27/43/323332743.db2.gz ZSSOPXGQIUMNQW-UHFFFAOYSA-N 0 0 349.232 2.130 40 0 EEABRN CNC(=O)CNC(=O)Nc1ncccc1O[C@@H](C)c1ccccc1 ZINC000163193810 323334592 /nfs/dbraw/zinc/33/45/92/323334592.db2.gz CIXHWEWIWSGKNZ-LBPRGKRZSA-N 0 0 328.372 2.089 40 0 EEABRN C[C@H]1C[C@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC(=O)N1 ZINC000195556786 323514659 /nfs/dbraw/zinc/51/46/59/323514659.db2.gz UYQWVAHHVBDNOD-KBPBESRZSA-N 0 0 332.444 2.394 40 0 EEABRN CO[C@H](CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C(C)C ZINC000073873310 463664825 /nfs/dbraw/zinc/66/48/25/463664825.db2.gz RTQAJRPGNYLWRY-MRXNPFEDSA-N 0 0 334.395 2.482 40 0 EEABRN CN(C)[C@H](CNC(=O)Cc1ccc(Cl)s1)c1cnn(C)c1 ZINC000252489286 464964608 /nfs/dbraw/zinc/96/46/08/464964608.db2.gz JNPWGKVWFZIIMH-GFCCVEGCSA-N 0 0 326.853 2.097 40 0 EEABRN CCC1CCC(NC(=O)C(=O)NCCc2ccc(OC)cc2)CC1 ZINC000298131270 465310502 /nfs/dbraw/zinc/31/05/02/465310502.db2.gz HCBQNBUQNXJGCD-UHFFFAOYSA-N 0 0 332.444 2.439 40 0 EEABRN CN(CCc1ccccn1)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000045055668 462555300 /nfs/dbraw/zinc/55/53/00/462555300.db2.gz XEHRRNTVCIIFFY-UHFFFAOYSA-N 0 0 341.411 2.228 40 0 EEABRN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1 ZINC000086064655 462565881 /nfs/dbraw/zinc/56/58/81/462565881.db2.gz YCCLHLWCRWFMQI-QMMMGPOBSA-N 0 0 328.162 2.210 40 0 EEABRN CCn1c(SCC(=O)OC)nnc1-c1cc(OC)cc(OC)c1 ZINC000000582688 462571114 /nfs/dbraw/zinc/57/11/14/462571114.db2.gz QCAGCZIJQKHBFV-UHFFFAOYSA-N 0 0 337.401 2.247 40 0 EEABRN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccccc1Cl ZINC000000794810 462573106 /nfs/dbraw/zinc/57/31/06/462573106.db2.gz LVWBSDZAFFHQMF-UHFFFAOYSA-N 0 0 329.747 2.333 40 0 EEABRN CSCC[C@H](NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002392323 462592651 /nfs/dbraw/zinc/59/26/51/462592651.db2.gz LCRSOUHHRUJURD-AWEZNQCLSA-N 0 0 348.424 2.298 40 0 EEABRN Cc1cc(CC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)no1 ZINC000074421285 462596875 /nfs/dbraw/zinc/59/68/75/462596875.db2.gz WVMMITLVPINIPC-MRXNPFEDSA-N 0 0 328.347 2.304 40 0 EEABRN CCC(CC)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967453 462619323 /nfs/dbraw/zinc/61/93/23/462619323.db2.gz XRAWWZGBDFFMKK-JTQLQIEISA-N 0 0 348.415 2.424 40 0 EEABRN CCCOc1ccc(Br)cc1/C=C/C(=O)NCCO ZINC000062715821 462623633 /nfs/dbraw/zinc/62/36/33/462623633.db2.gz IVICOZVGDYMCLE-ZZXKWVIFSA-N 0 0 328.206 2.360 40 0 EEABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000006946736 462713970 /nfs/dbraw/zinc/71/39/70/462713970.db2.gz MZSURHYCOPMUGR-ZDUSSCGKSA-N 0 0 342.461 2.057 40 0 EEABRN CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000007070236 462720827 /nfs/dbraw/zinc/72/08/27/462720827.db2.gz MDLILOZMDPOBOU-CYBMUJFWSA-N 0 0 326.462 2.221 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C12CCC2 ZINC000075492556 462722184 /nfs/dbraw/zinc/72/21/84/462722184.db2.gz MHDFKVDWMVDTIL-KGLIPLIRSA-N 0 0 327.384 2.001 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N1CCOC[C@H]1C1CC1 ZINC000089888864 462734523 /nfs/dbraw/zinc/73/45/23/462734523.db2.gz VKDPWLYWDKFJHV-SFHVURJKSA-N 0 0 340.427 2.235 40 0 EEABRN Cc1cc(NC(=O)CN2CCSC[C@@H]2c2ccc(C)o2)n(C)n1 ZINC000076011397 462783646 /nfs/dbraw/zinc/78/36/46/462783646.db2.gz OBHHLXWOFGSNFL-CYBMUJFWSA-N 0 0 334.445 2.359 40 0 EEABRN CC(=O)N1CCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 ZINC000012219437 462846737 /nfs/dbraw/zinc/84/67/37/462846737.db2.gz HQIYXXAZLBLBRA-UHFFFAOYSA-N 0 0 349.394 2.467 40 0 EEABRN O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)NC1CC1 ZINC000014059801 462908683 /nfs/dbraw/zinc/90/86/83/462908683.db2.gz VHJJWYUFVNNGGE-LBPRGKRZSA-N 0 0 348.428 2.088 40 0 EEABRN COc1ccc(Br)c(C(=O)NCC[C@H](O)C2CC2)c1 ZINC000077107814 462940025 /nfs/dbraw/zinc/94/00/25/462940025.db2.gz OWAUNWNBWRBKGQ-ZDUSSCGKSA-N 0 0 328.206 2.349 40 0 EEABRN COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cccs2)cc1 ZINC000077178900 462947825 /nfs/dbraw/zinc/94/78/25/462947825.db2.gz NYRSZCUPROZZMQ-HNNXBMFYSA-N 0 0 341.454 2.029 40 0 EEABRN O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3ccccn3)CCN12 ZINC000077266656 462960567 /nfs/dbraw/zinc/96/05/67/462960567.db2.gz LVZQTRHIKCAFLC-GOSISDBHSA-N 0 0 340.402 2.343 40 0 biogenic,in-vitro EEABRN CN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000077266815 462961039 /nfs/dbraw/zinc/96/10/39/462961039.db2.gz BVNBQYWDBJPCJB-LBPRGKRZSA-N 0 0 329.322 2.137 40 0 biogenic,in-vitro EEABRN Cc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)no1 ZINC000077613537 463011777 /nfs/dbraw/zinc/01/17/77/463011777.db2.gz KXPVSXVWMJYSHV-VIFPVBQESA-N 0 0 345.182 2.460 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019374819 463018150 /nfs/dbraw/zinc/01/81/50/463018150.db2.gz OXQNHVUZDCUVMF-UHFFFAOYSA-N 0 0 326.352 2.077 40 0 EEABRN CC(=O)NC1CCN(C(=O)Nc2nn(-c3ccccc3)cc2C)CC1 ZINC000078611803 463133315 /nfs/dbraw/zinc/13/33/15/463133315.db2.gz BIRXVIBRUNVGMH-UHFFFAOYSA-N 0 0 341.415 2.313 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000096047344 463151591 /nfs/dbraw/zinc/15/15/91/463151591.db2.gz HRFGBXZJLLCNKZ-UHFFFAOYSA-N 0 0 337.427 2.394 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049563 463152705 /nfs/dbraw/zinc/15/27/05/463152705.db2.gz HYTJDPWLKDQGRD-LJQANCHMSA-N 0 0 341.411 2.434 40 0 EEABRN CCCCS(=O)(=O)N1CCC2(CN(c3ccccc3)C2=O)CC1 ZINC000096070962 463165760 /nfs/dbraw/zinc/16/57/60/463165760.db2.gz SAFKRTOAQRHNBW-UHFFFAOYSA-N 0 0 336.457 2.245 40 0 EEABRN CC(C)c1cc(C(=O)NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000096100989 463172777 /nfs/dbraw/zinc/17/27/77/463172777.db2.gz VFESLEIXQMBPJD-UHFFFAOYSA-N 0 0 340.427 2.367 40 0 EEABRN Fc1cnc(N2CCC3(CO[C@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106210 463174112 /nfs/dbraw/zinc/17/41/12/463174112.db2.gz BVTBHQGWRWAKEW-HNNXBMFYSA-N 0 0 344.390 2.465 40 0 EEABRN COc1ccc(CC(=O)Nc2cnn(C3CCOCC3)c2)cc1OC ZINC000096104588 463174311 /nfs/dbraw/zinc/17/43/11/463174311.db2.gz IONCOHNCMGHPJA-UHFFFAOYSA-N 0 0 345.399 2.433 40 0 EEABRN O=C(COC1CCCC1)N1CC[C@H]2OCC[C@@]2(COCC2CC2)C1 ZINC000096110360 463178737 /nfs/dbraw/zinc/17/87/37/463178737.db2.gz GREFXVLSARCALO-MJGOQNOKSA-N 0 0 337.460 2.380 40 0 EEABRN Fc1cnccc1CN1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112136 463180164 /nfs/dbraw/zinc/18/01/64/463180164.db2.gz DETLPJFARYTVBO-CJNGLKHVSA-N 0 0 345.353 2.231 40 0 biogenic,in-vitro EEABRN C[C@H]1C[C@H](C)CN(C(=O)COCc2nc(-c3ccncc3)no2)C1 ZINC000096182040 463194439 /nfs/dbraw/zinc/19/44/39/463194439.db2.gz FGFDJEFFTYSQRB-STQMWFEESA-N 0 0 330.388 2.153 40 0 EEABRN COCc1cncc2c1CCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096189294 463199788 /nfs/dbraw/zinc/19/97/88/463199788.db2.gz GESNZTYOSRDNIH-UHFFFAOYSA-N 0 0 336.388 2.114 40 0 EEABRN O=C(c1ccccn1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096187990 463200582 /nfs/dbraw/zinc/20/05/82/463200582.db2.gz MXORLEWJVOHBGN-OAHLLOKOSA-N 0 0 349.394 2.024 40 0 EEABRN COc1ccc(C2=NO[C@](C)(C(=O)Nc3cc(C)nn3C)C2)cc1 ZINC000096192759 463202062 /nfs/dbraw/zinc/20/20/62/463202062.db2.gz UKTJLLLMDPZYKG-KRWDZBQOSA-N 0 0 328.372 2.259 40 0 EEABRN CCn1ccc(NC(=O)[C@@]2(C)CC(c3ccc(OC)cc3)=NO2)n1 ZINC000096192754 463202097 /nfs/dbraw/zinc/20/20/97/463202097.db2.gz NMTYJKWSECAPHK-QGZVFWFLSA-N 0 0 328.372 2.433 40 0 EEABRN COC[C@H]1CN(C(=O)CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096198456 463204625 /nfs/dbraw/zinc/20/46/25/463204625.db2.gz SKGKKBJQJWUOPH-QGZVFWFLSA-N 0 0 347.459 2.182 40 0 EEABRN Cn1cc(C[C@@H]2[C@H](OCC3CC3)CCN2C(=O)c2cccn2C)cn1 ZINC000096200698 463205900 /nfs/dbraw/zinc/20/59/00/463205900.db2.gz IBBXPTDPXZMMNX-QZTJIDSGSA-N 0 0 342.443 2.011 40 0 EEABRN O=S(=O)(C1CC1)N1CCC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096203238 463209028 /nfs/dbraw/zinc/20/90/28/463209028.db2.gz NMFUKQBSJPLCLJ-KRWDZBQOSA-N 0 0 335.473 2.004 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 ZINC000096218234 463215557 /nfs/dbraw/zinc/21/55/57/463215557.db2.gz PLGFKAGQKKBBGP-CYBMUJFWSA-N 0 0 344.440 2.352 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@H](Nc3ccccn3)CO2)CC1 ZINC000096221379 463218106 /nfs/dbraw/zinc/21/81/06/463218106.db2.gz ZJCCLORZNRNTRF-HNNXBMFYSA-N 0 0 330.432 2.333 40 0 EEABRN Fc1cnc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nc1 ZINC000096226577 463221124 /nfs/dbraw/zinc/22/11/24/463221124.db2.gz PPLJACCQQZZJQF-KRWDZBQOSA-N 0 0 332.379 2.080 40 0 EEABRN COc1ccc(N2C[C@@]3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1 ZINC000096238987 463224564 /nfs/dbraw/zinc/22/45/64/463224564.db2.gz ICWSHNRKKFRFBR-IBGZPJMESA-N 0 0 328.412 2.451 40 0 EEABRN O=C(COC[C@@H]1C[C@@H]2OCCN(c3ccccc3)[C@H]2C1)N1CCCC1 ZINC000096250625 463226349 /nfs/dbraw/zinc/22/63/49/463226349.db2.gz BFHVJPWXFNTTLQ-WDSOQIARSA-N 0 0 344.455 2.309 40 0 EEABRN O=C(c1cc(F)cc2nc[nH]c21)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000096402611 463238638 /nfs/dbraw/zinc/23/86/38/463238638.db2.gz SKCLSMWTOWYWPD-INIZCTEOSA-N 0 0 338.342 2.015 40 0 EEABRN Cc1cnc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cn1 ZINC000096408183 463241556 /nfs/dbraw/zinc/24/15/56/463241556.db2.gz CVXLDPVHPPMHJJ-GFCCVEGCSA-N 0 0 348.353 2.395 40 0 EEABRN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407601 463241824 /nfs/dbraw/zinc/24/18/24/463241824.db2.gz DNQKRKYRHHASFD-HIFRSBDPSA-N 0 0 349.450 2.462 40 0 EEABRN C[S@@](=O)CCNC(=O)NCCCc1cccc(Br)c1 ZINC000096408904 463242591 /nfs/dbraw/zinc/24/25/91/463242591.db2.gz RXTFMYMRIUYCGY-IBGZPJMESA-N 0 0 347.278 2.059 40 0 EEABRN COC(=O)[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(F)cc1 ZINC000096410441 463243736 /nfs/dbraw/zinc/24/37/36/463243736.db2.gz GOFYXMVCTYHDSO-QGZVFWFLSA-N 0 0 340.358 2.410 40 0 EEABRN O=C(NC[C@@H](O)C1CCCC1)C(=O)Nc1cc(F)ccc1Cl ZINC000096410789 463243808 /nfs/dbraw/zinc/24/38/08/463243808.db2.gz FFMGDVYPNCXXIV-CYBMUJFWSA-N 0 0 328.771 2.085 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000096414065 463246929 /nfs/dbraw/zinc/24/69/29/463246929.db2.gz PRCUNLZSBMVZDB-SNVBAGLBSA-N 0 0 326.274 2.326 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000096417802 463250706 /nfs/dbraw/zinc/25/07/06/463250706.db2.gz SECNBWDIDVSXEK-CYBMUJFWSA-N 0 0 333.407 2.167 40 0 EEABRN CCCNC(=O)c1cccc(C(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000096421701 463252709 /nfs/dbraw/zinc/25/27/09/463252709.db2.gz NEAGHGHFQKXXEP-SFHVURJKSA-N 0 0 340.423 2.160 40 0 EEABRN Cn1ncc(C(=O)Nc2ccc([S@@](C)=O)cc2)c1-n1cccc1 ZINC000096426993 463255973 /nfs/dbraw/zinc/25/59/73/463255973.db2.gz JDIDRVCLOFJBJW-QHCPKHFHSA-N 0 0 328.397 2.201 40 0 EEABRN Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000096427869 463257977 /nfs/dbraw/zinc/25/79/77/463257977.db2.gz GVNZBQPMVCAJEW-ZDUSSCGKSA-N 0 0 342.436 2.059 40 0 EEABRN Cc1nn(C)cc1[C@H](C)Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000096429392 463258767 /nfs/dbraw/zinc/25/87/67/463258767.db2.gz NJDBCMOWQCIBIK-NSHDSACASA-N 0 0 349.398 2.324 40 0 EEABRN O=C(NC[C@H](O)c1ccco1)c1cc(N2CCCC2=O)ccc1F ZINC000096436071 463263974 /nfs/dbraw/zinc/26/39/74/463263974.db2.gz OVBKGULPRUYNLB-AWEZNQCLSA-N 0 0 332.331 2.009 40 0 EEABRN CNC(=O)c1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 ZINC000096437366 463264764 /nfs/dbraw/zinc/26/47/64/463264764.db2.gz ZWRRUPOAJUAUJC-HNNXBMFYSA-N 0 0 332.787 2.163 40 0 EEABRN CSC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437101 463264927 /nfs/dbraw/zinc/26/49/27/463264927.db2.gz KGSAWFRZWHJXFE-CPCISQLKSA-N 0 0 335.242 2.456 40 0 EEABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000029645555 463266951 /nfs/dbraw/zinc/26/69/51/463266951.db2.gz PMHHAIUTSUUCRZ-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN Cc1cc(Br)oc1C(=O)OC[C@H]1CCCN1C(N)=O ZINC000096442222 463268627 /nfs/dbraw/zinc/26/86/27/463268627.db2.gz CCTGDRDJCFZSOL-MRVPVSSYSA-N 0 0 331.166 2.050 40 0 EEABRN CC(C)c1nc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)cs1 ZINC000096446108 463271320 /nfs/dbraw/zinc/27/13/20/463271320.db2.gz WOYFACFOXBMMSR-GFCCVEGCSA-N 0 0 338.477 2.106 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000096450322 463272130 /nfs/dbraw/zinc/27/21/30/463272130.db2.gz DCRVVLIUSOWBMC-CQSZACIVSA-N 0 0 343.427 2.229 40 0 EEABRN O=C(NCCCSc1nncn1-c1ccccc1)C(F)(F)F ZINC000096475784 463280189 /nfs/dbraw/zinc/28/01/89/463280189.db2.gz YXDFMUWOVYLYTH-UHFFFAOYSA-N 0 0 330.335 2.428 40 0 EEABRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1c(=O)oc2cccnc21 ZINC000096475820 463280476 /nfs/dbraw/zinc/28/04/76/463280476.db2.gz SEFWXJMYDSHPHN-JTQLQIEISA-N 0 0 347.321 2.487 40 0 EEABRN Cn1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484474 463282654 /nfs/dbraw/zinc/28/26/54/463282654.db2.gz YPQFFWWWGZKPHF-LSDHHAIUSA-N 0 0 336.798 2.388 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000096484525 463283054 /nfs/dbraw/zinc/28/30/54/463283054.db2.gz ZDVJGKFIUWJEHZ-GXTWGEPZSA-N 0 0 327.384 2.380 40 0 EEABRN CC(=O)NCCCS(=O)(=O)c1nc(-c2ccc(C)cc2)cs1 ZINC000096485839 463283799 /nfs/dbraw/zinc/28/37/99/463283799.db2.gz NHPSYHLRXGVWET-UHFFFAOYSA-N 0 0 338.454 2.418 40 0 EEABRN CN(CC(C)(CO)CO)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000096485759 463284087 /nfs/dbraw/zinc/28/40/87/463284087.db2.gz YUPBOPAVFKGYTO-UHFFFAOYSA-N 0 0 338.301 2.299 40 0 EEABRN COc1cccc([C@H](O)C(=O)NCc2ccc(C)cc2N(C)C)c1 ZINC000096487136 463285169 /nfs/dbraw/zinc/28/51/69/463285169.db2.gz CVWMPKSWICVROT-SFHVURJKSA-N 0 0 328.412 2.419 40 0 EEABRN CC[C@H](C(=O)Nc1cc(C)c(Br)cn1)N1CCCC1=O ZINC000096494800 463288704 /nfs/dbraw/zinc/28/87/04/463288704.db2.gz QVADTZRAOBAQKB-LLVKDONJSA-N 0 0 340.221 2.492 40 0 EEABRN O=C(Cn1cc(C2CC2)nn1)Nc1c2nsnc2ccc1Cl ZINC000096494792 463288844 /nfs/dbraw/zinc/28/88/44/463288844.db2.gz FANUQLCXSRRBPB-UHFFFAOYSA-N 0 0 334.792 2.452 40 0 EEABRN Cc1cc(NC(=O)CN2CCC(C(F)(F)F)CC2)ccc1C(N)=O ZINC000096495966 463289327 /nfs/dbraw/zinc/28/93/27/463289327.db2.gz SNFOWEMNYHYMAZ-UHFFFAOYSA-N 0 0 343.349 2.307 40 0 EEABRN CC(=O)c1cccc(NC(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000096496885 463290765 /nfs/dbraw/zinc/29/07/65/463290765.db2.gz ZVDOWRTUQOKBTO-AWEZNQCLSA-N 0 0 327.388 2.425 40 0 EEABRN Cc1nccc(CNC(=O)N2CCN([C@H](C)c3ccsc3)CC2)n1 ZINC000096503127 463292523 /nfs/dbraw/zinc/29/25/23/463292523.db2.gz PKUKIJXNFULFBN-CYBMUJFWSA-N 0 0 345.472 2.435 40 0 EEABRN Cc1nnc(CCCN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)o1 ZINC000097233315 463350856 /nfs/dbraw/zinc/35/08/56/463350856.db2.gz RLNLUWBWWFMKET-INIZCTEOSA-N 0 0 348.790 2.431 40 0 EEABRN CC(C)c1noc(CCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000097234323 463352665 /nfs/dbraw/zinc/35/26/65/463352665.db2.gz BSIUXXOLBRETBK-CYBMUJFWSA-N 0 0 332.408 2.395 40 0 EEABRN Cc1ncccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000097371171 463355158 /nfs/dbraw/zinc/35/51/58/463355158.db2.gz AWNZTLGYGYYJQX-QGZVFWFLSA-N 0 0 336.395 2.043 40 0 EEABRN Cc1nccc(N2CCN(C(=O)NC[C@H](C)c3ccsc3)CC2)n1 ZINC000097376467 463356280 /nfs/dbraw/zinc/35/62/80/463356280.db2.gz JPGDUYKORQDZGM-ZDUSSCGKSA-N 0 0 345.472 2.482 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@@](C)(CO)[C@]3(C)OC(C)(C)O[C@]3(C)[C@]2(C)O1 ZINC000101109468 463376533 /nfs/dbraw/zinc/37/65/33/463376533.db2.gz CYMKALUCKAWBMD-WOYTXXSLSA-N 0 0 330.421 2.326 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCCCn1ncc2ccc(C)cc21 ZINC000071196038 463411706 /nfs/dbraw/zinc/41/17/06/463411706.db2.gz VEPADOOEDHIGDP-UHFFFAOYSA-N 0 0 348.428 2.318 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000033774614 463423558 /nfs/dbraw/zinc/42/35/58/463423558.db2.gz JVRONQNPVUTJKT-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN O=C(Cc1cccs1)N1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000040386076 463454713 /nfs/dbraw/zinc/45/47/13/463454713.db2.gz VWFLAXCIRAIDEF-OAHLLOKOSA-N 0 0 340.404 2.469 40 0 EEABRN CCn1ccnc1CS(=O)(=O)c1ncc(-c2ccccc2)n1C ZINC000081532624 463455078 /nfs/dbraw/zinc/45/50/78/463455078.db2.gz MBFWQEOSRWKGAE-UHFFFAOYSA-N 0 0 330.413 2.277 40 0 EEABRN O=C(Cn1c(=O)cnc2ccccc21)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000071929874 463477594 /nfs/dbraw/zinc/47/75/94/463477594.db2.gz LEVLZGQYQFCPTG-RRFJBIMHSA-N 0 0 325.412 2.339 40 0 EEABRN C[C@]1(C(=O)NCc2cccnc2)Oc2ccc(Cl)cc2NC1=O ZINC000041550131 463493372 /nfs/dbraw/zinc/49/33/72/463493372.db2.gz IWBSGPXHJJAQOV-MRXNPFEDSA-N 0 0 331.759 2.141 40 0 EEABRN Cc1ccc(N2CCC(C(=O)NC[C@H](C)Cn3ccnc3)CC2)nc1 ZINC000081798321 463494482 /nfs/dbraw/zinc/49/44/82/463494482.db2.gz AAHCRORPOCONCL-INIZCTEOSA-N 0 0 341.459 2.255 40 0 EEABRN O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000058434048 463598703 /nfs/dbraw/zinc/59/87/03/463598703.db2.gz FVCGTBSEHQMRMI-UHFFFAOYSA-N 0 0 336.347 2.047 40 0 EEABRN CCN(CC)S(=O)(=O)CC(=O)NCc1oc2ccccc2c1C ZINC000073727840 463650432 /nfs/dbraw/zinc/65/04/32/463650432.db2.gz OVFNEZSNPSUVLE-UHFFFAOYSA-N 0 0 338.429 2.029 40 0 EEABRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 ZINC000169900983 463673141 /nfs/dbraw/zinc/67/31/41/463673141.db2.gz JOYNBELPJFEDIL-GRYCIOLGSA-N 0 0 338.429 2.073 40 0 EEABRN CCOc1ccc(CN(C)CC(=O)Nc2cc(C)no2)cc1OC ZINC000044892067 463699191 /nfs/dbraw/zinc/69/91/91/463699191.db2.gz NPHCWDNRFZPLCS-UHFFFAOYSA-N 0 0 333.388 2.461 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000044903205 463700252 /nfs/dbraw/zinc/70/02/52/463700252.db2.gz OQWMRZXOZCAUSL-UHFFFAOYSA-N 0 0 333.409 2.401 40 0 EEABRN CC(C)OCCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044900096 463700446 /nfs/dbraw/zinc/70/04/46/463700446.db2.gz USOILRVRGCTXOZ-UHFFFAOYSA-N 0 0 348.852 2.256 40 0 EEABRN C[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1nc(C(C)(C)C)no1 ZINC000177582443 463742171 /nfs/dbraw/zinc/74/21/71/463742171.db2.gz PLFXNCWVNOFIPW-OLZOCXBDSA-N 0 0 346.435 2.499 40 0 EEABRN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@H+](CC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257208871 463756727 /nfs/dbraw/zinc/75/67/27/463756727.db2.gz BNWIGLBHNGNQRR-NCZKRNLISA-N 0 0 333.384 2.168 40 0 EEABRN CC(C)(C)C(=O)N1CCC(c2cncc(N3CCOC3=O)n2)CC1 ZINC000257283578 463761234 /nfs/dbraw/zinc/76/12/34/463761234.db2.gz OYXBBEJNKVGQBZ-UHFFFAOYSA-N 0 0 332.404 2.185 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@@H](CCc3ccncn3)C2)s1 ZINC000257285878 463761696 /nfs/dbraw/zinc/76/16/96/463761696.db2.gz PJHHPCZWYFBOOF-HNNXBMFYSA-N 0 0 331.441 2.249 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 ZINC000257285278 463761948 /nfs/dbraw/zinc/76/19/48/463761948.db2.gz PGKJMPIDFQNMGG-OAHLLOKOSA-N 0 0 342.399 2.174 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257283187 463762110 /nfs/dbraw/zinc/76/21/10/463762110.db2.gz OXDDCNZDNZLREH-HNNXBMFYSA-N 0 0 332.448 2.291 40 0 EEABRN Cc1ccnn1CCC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257286968 463763286 /nfs/dbraw/zinc/76/32/86/463763286.db2.gz PNVKWFLROVZVFL-MRXNPFEDSA-N 0 0 327.432 2.104 40 0 EEABRN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CC[N@@H+]3CC(=O)[O-])O[C@H]21 ZINC000257292062 463764115 /nfs/dbraw/zinc/76/41/15/463764115.db2.gz QJUFMDALVMICMB-QDEZUTFSSA-N 0 0 347.411 2.471 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)n1 ZINC000257293485 463765537 /nfs/dbraw/zinc/76/55/37/463765537.db2.gz QPQMQYOEVIJDBF-GFCCVEGCSA-N 0 0 337.811 2.192 40 0 EEABRN Cc1ccnc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257293726 463765679 /nfs/dbraw/zinc/76/56/79/463765679.db2.gz QQWUZIOJESYWDD-QGZVFWFLSA-N 0 0 337.379 2.161 40 0 EEABRN CS(=O)(=O)c1ccc(CN2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295052 463765722 /nfs/dbraw/zinc/76/57/22/463765722.db2.gz QWSLEDDQOMTQRX-OAHLLOKOSA-N 0 0 333.457 2.268 40 0 EEABRN O=C(CCCn1cccn1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257315659 463775167 /nfs/dbraw/zinc/77/51/67/463775167.db2.gz VCIBEZKEIRUXAK-HNNXBMFYSA-N 0 0 329.404 2.011 40 0 EEABRN Cn1cc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257323870 463778424 /nfs/dbraw/zinc/77/84/24/463778424.db2.gz WMEBUYGJBITRJH-HNNXBMFYSA-N 0 0 338.411 2.233 40 0 EEABRN CNc1nccnc1[C@H]1CN(CCOc2ccc(F)cc2)CCO1 ZINC000257330508 463781560 /nfs/dbraw/zinc/78/15/60/463781560.db2.gz XORZCLRBQGCDGV-OAHLLOKOSA-N 0 0 332.379 2.110 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@H](c3ccnc(C)n3)C2)ccn1 ZINC000257338808 463784590 /nfs/dbraw/zinc/78/45/90/463784590.db2.gz YZAWUUSQOKBDRH-HNNXBMFYSA-N 0 0 339.399 2.158 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)n1 ZINC000257341227 463786189 /nfs/dbraw/zinc/78/61/89/463786189.db2.gz ZJKLYHWDITUFMH-OAHLLOKOSA-N 0 0 325.372 2.117 40 0 EEABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257343199 463787242 /nfs/dbraw/zinc/78/72/42/463787242.db2.gz ZRWPTRGCNBEWJL-OAHLLOKOSA-N 0 0 348.472 2.075 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257342358 463788075 /nfs/dbraw/zinc/78/80/75/463788075.db2.gz ZOGULZUNIDZJEM-OAHLLOKOSA-N 0 0 345.374 2.162 40 0 EEABRN COc1cccc2c1CCN(C(=O)NCCc1cccnc1)CC2 ZINC000194160294 463805056 /nfs/dbraw/zinc/80/50/56/463805056.db2.gz PEMLSXHNHIMYPG-UHFFFAOYSA-N 0 0 325.412 2.443 40 0 EEABRN CN(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cnn(C)c1 ZINC000194974874 463969721 /nfs/dbraw/zinc/96/97/21/463969721.db2.gz MRSXZHMZYDEUEK-GVDBMIGSSA-N 0 0 345.422 2.017 40 0 EEABRN Nc1ncc(Cl)cc1S(=O)(=O)N1CCc2sccc2C1 ZINC000178938495 464020304 /nfs/dbraw/zinc/02/03/04/464020304.db2.gz FORSIFKADRMJMI-UHFFFAOYSA-N 0 0 329.834 2.126 40 0 EEABRN CC(C)(C)OC(=O)N1CC(NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000186554407 464021419 /nfs/dbraw/zinc/02/14/19/464021419.db2.gz XXLOOCYLMKORML-UHFFFAOYSA-N 0 0 330.306 2.453 40 0 EEABRN O=C(OCCc1cn[nH]c1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000195550989 464075803 /nfs/dbraw/zinc/07/58/03/464075803.db2.gz NTELNEVHECZDKM-UHFFFAOYSA-N 0 0 335.726 2.182 40 0 EEABRN CNS(=O)(=O)c1ccc(NCc2cnc(CC(C)C)s2)nc1 ZINC000195573362 464079088 /nfs/dbraw/zinc/07/90/88/464079088.db2.gz XIYYDHBZGSMBTK-UHFFFAOYSA-N 0 0 340.474 2.257 40 0 EEABRN Cc1ccc2oc(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)cc2n1 ZINC000172760142 464139131 /nfs/dbraw/zinc/13/91/31/464139131.db2.gz SYLLPBHCMIBQGF-ZDUSSCGKSA-N 0 0 339.399 2.269 40 0 EEABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 ZINC000223711633 464147103 /nfs/dbraw/zinc/14/71/03/464147103.db2.gz VZBXFFXCUUVZAW-JKSUJKDBSA-N 0 0 344.440 2.335 40 0 EEABRN O=C(COc1ccccc1F)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225453235 464161318 /nfs/dbraw/zinc/16/13/18/464161318.db2.gz GKMITSNFKKBHAQ-ZDUSSCGKSA-N 0 0 331.347 2.065 40 0 EEABRN COCCNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1OC ZINC000225481051 464164219 /nfs/dbraw/zinc/16/42/19/464164219.db2.gz KLQJDNMPDFIRDG-UHFFFAOYSA-N 0 0 345.399 2.406 40 0 EEABRN COC[C@H](NC(=O)C1CCN(CC(F)F)CC1)c1ccc(C)o1 ZINC000225561622 464172660 /nfs/dbraw/zinc/17/26/60/464172660.db2.gz FYSLCQWTERCZQX-ZDUSSCGKSA-N 0 0 330.375 2.369 40 0 EEABRN CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000225821831 464181526 /nfs/dbraw/zinc/18/15/26/464181526.db2.gz ZUCINZCUMBSUFI-UHFFFAOYSA-N 0 0 343.832 2.490 40 0 EEABRN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1cc(C2CC2)on1 ZINC000281090703 464328220 /nfs/dbraw/zinc/32/82/20/464328220.db2.gz BVWFRLRADAWICC-STQMWFEESA-N 0 0 345.378 2.031 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C[C@H](C)O)[nH]n2)cc1C ZINC000189148631 464444479 /nfs/dbraw/zinc/44/44/79/464444479.db2.gz LTPDAMNSOCOODC-GOEBONIOSA-N 0 0 343.427 2.305 40 0 EEABRN CC(C)CS(=O)(=O)N1CCC(Nc2ccnc3ccncc32)CC1 ZINC000272035267 464455220 /nfs/dbraw/zinc/45/52/20/464455220.db2.gz SQPRCOSABKCOSR-UHFFFAOYSA-N 0 0 348.472 2.492 40 0 EEABRN O=C(NCCOc1ccc(F)cc1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000245108432 464466831 /nfs/dbraw/zinc/46/68/31/464466831.db2.gz SWZRXPWGBXNVMA-MRXNPFEDSA-N 0 0 346.358 2.197 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000247859760 464710870 /nfs/dbraw/zinc/71/08/70/464710870.db2.gz MFLCSRAEYHGDPF-AWEZNQCLSA-N 0 0 345.424 2.129 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000247891019 464714232 /nfs/dbraw/zinc/71/42/32/464714232.db2.gz YLWHIJPIRXPERO-HNNXBMFYSA-N 0 0 348.468 2.364 40 0 EEABRN O=C([C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1)N1CCC(O)CC1 ZINC000248012231 464722813 /nfs/dbraw/zinc/72/28/13/464722813.db2.gz WCKWEPGZJLORIP-GBYFWLHCSA-N 0 0 341.407 2.030 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 ZINC000176704339 464829327 /nfs/dbraw/zinc/82/93/27/464829327.db2.gz YLLDYBUEIFQEJJ-UHFFFAOYSA-N 0 0 336.344 2.380 40 0 EEABRN CCc1c(NC(=O)[C@@H]2CN(C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131286 464871368 /nfs/dbraw/zinc/87/13/68/464871368.db2.gz YHOZFFCCHXTQHD-INIZCTEOSA-N 0 0 348.834 2.357 40 0 EEABRN O=C(CC[C@H]1CCOC1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000176889708 464876764 /nfs/dbraw/zinc/87/67/64/464876764.db2.gz OSODLELDOLSQSV-ZDUSSCGKSA-N 0 0 336.457 2.286 40 0 EEABRN O=C1[C@@H]2CCCN2C(=O)N1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000192185145 464882670 /nfs/dbraw/zinc/88/26/70/464882670.db2.gz GRYRBINPAIOSAN-AWEZNQCLSA-N 0 0 332.310 2.077 40 0 EEABRN Cc1cc(CNC(=O)[C@@H]2CCCO2)ccc1I ZINC000252481985 464960767 /nfs/dbraw/zinc/96/07/67/464960767.db2.gz CWHJQPYNNZAVIP-LBPRGKRZSA-N 0 0 345.180 2.395 40 0 EEABRN C[C@H]1CN(C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533209 464980754 /nfs/dbraw/zinc/98/07/54/464980754.db2.gz GFZVOUANMSPHAY-WDEREUQCSA-N 0 0 326.359 2.241 40 0 EEABRN COC[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@@H]21 ZINC000253376238 464995832 /nfs/dbraw/zinc/99/58/32/464995832.db2.gz SMQZPLVVPOGOEA-FLQNSNRRSA-N 0 0 329.396 2.198 40 0 EEABRN CCc1nc2sccc2c(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1 ZINC000253415541 465004379 /nfs/dbraw/zinc/00/43/79/465004379.db2.gz CZSKZDXKSMFIOP-XXFAHNHDSA-N 0 0 345.428 2.044 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccnn1-c1ccccc1 ZINC000253419861 465006922 /nfs/dbraw/zinc/00/69/22/465006922.db2.gz DCEJKPLHNYVNCY-OAHLLOKOSA-N 0 0 348.410 2.061 40 0 EEABRN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000298635579 465456427 /nfs/dbraw/zinc/45/64/27/465456427.db2.gz XWYLLLLMWHDBGP-UHFFFAOYSA-N 0 0 334.807 2.030 40 0 EEABRN CCN(Cc1cn(C)nn1)C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000331377783 466054338 /nfs/dbraw/zinc/05/43/38/466054338.db2.gz FIKDOOZRRFQLAT-CQSZACIVSA-N 0 0 342.447 2.109 40 0 EEABRN O=C(C1=CCCC1)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000306143517 466493440 /nfs/dbraw/zinc/49/34/40/466493440.db2.gz YEKOQXGVZXIRHN-QGZVFWFLSA-N 0 0 335.444 2.300 40 0 EEABRN CC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138218 466494134 /nfs/dbraw/zinc/49/41/34/466494134.db2.gz RSORUXARJPDXCG-APWZRJJASA-N 0 0 344.459 2.038 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408595426 466682032 /nfs/dbraw/zinc/68/20/32/466682032.db2.gz QEKAVABPTWFCCQ-OLZOCXBDSA-N 0 0 342.461 2.057 40 0 EEABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCCCn1ccnc1 ZINC000408594885 466682268 /nfs/dbraw/zinc/68/22/68/466682268.db2.gz PQUOBVORTGFXIV-UHFFFAOYSA-N 0 0 343.836 2.304 40 0 EEABRN CCN1C(=O)N/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000409234626 466686891 /nfs/dbraw/zinc/68/68/91/466686891.db2.gz MBEIRBLLBQCULD-JXMROGBWSA-N 0 0 325.162 2.370 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c1 ZINC000390830628 467413012 /nfs/dbraw/zinc/41/30/12/467413012.db2.gz MHZJFYHZLHLCKO-OAHLLOKOSA-N 0 0 347.440 2.191 40 0 EEABRN CC1([C@@H]2CCCN(C(=O)Nc3cccc4c3OCO4)C2)OCCO1 ZINC000390833360 467414264 /nfs/dbraw/zinc/41/42/64/467414264.db2.gz GPILTTISAWNVSO-GFCCVEGCSA-N 0 0 334.372 2.422 40 0 EEABRN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCCC[C@H](C)C2)CC1 ZINC000390835004 467415172 /nfs/dbraw/zinc/41/51/72/467415172.db2.gz ASALJTFQOKMTHF-AWEZNQCLSA-N 0 0 345.509 2.021 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@@H](OCc1cncc(C)c1)CCO2 ZINC000575404371 468141882 /nfs/dbraw/zinc/14/18/82/468141882.db2.gz LUYBUQFBGOVPDX-HNNXBMFYSA-N 0 0 336.457 2.030 40 0 EEABRN Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)C1(F)CCC1)C2 ZINC000585110957 468975044 /nfs/dbraw/zinc/97/50/44/468975044.db2.gz HIVWWAFAEKXGAN-CQSZACIVSA-N 0 0 344.390 2.212 40 0 EEABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C1CC(F)C1 ZINC000585113084 468976431 /nfs/dbraw/zinc/97/64/31/468976431.db2.gz ZGMWYWYCORDROO-JCYILVPMSA-N 0 0 343.402 2.410 40 0 EEABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585277781 469002926 /nfs/dbraw/zinc/00/29/26/469002926.db2.gz PCTUTCLKWBZXBT-HOTGVXAUSA-N 0 0 330.359 2.135 40 0 EEABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000585278431 469003488 /nfs/dbraw/zinc/00/34/88/469003488.db2.gz SMYPKYGKOLVBGP-GOSISDBHSA-N 0 0 329.400 2.418 40 0 EEABRN CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585279538 469005810 /nfs/dbraw/zinc/00/58/10/469005810.db2.gz ZOSJQLIEARYIQE-IBGZPJMESA-N 0 0 343.427 2.196 40 0 EEABRN CO[C@@H]1CN(C(=O)Cn2cc(C)cn2)CC[C@@H]1Cc1ccccc1 ZINC000585280171 469006260 /nfs/dbraw/zinc/00/62/60/469006260.db2.gz ZAWBSGHWZWLSEU-QZTJIDSGSA-N 0 0 327.428 2.298 40 0 EEABRN O=C(COc1cccnc1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585280164 469006344 /nfs/dbraw/zinc/00/63/44/469006344.db2.gz YVDZVCNLCPHMLU-QAPCUYQASA-N 0 0 344.386 2.052 40 0 EEABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/c2ccnn2C)cc1 ZINC000585289701 469011253 /nfs/dbraw/zinc/01/12/53/469011253.db2.gz MACCOFJYTXAIHV-MYQPPDNISA-N 0 0 339.439 2.336 40 0 EEABRN CC(C)c1nc2[nH]ccc2c(N2CCC(CS(C)(=O)=O)CC2)n1 ZINC000631282112 470109830 /nfs/dbraw/zinc/10/98/30/470109830.db2.gz PGGUUVWSOLNNSR-UHFFFAOYSA-N 0 0 336.461 2.342 40 0 EEABRN C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643875756 470809265 /nfs/dbraw/zinc/80/92/65/470809265.db2.gz ADBMXLCJQRBBCS-CQSZACIVSA-N 0 0 342.798 2.377 40 0 EEABRN CN(CC1(O)CCC1)c1c(Br)cccc1S(C)(=O)=O ZINC000672250926 486084904 /nfs/dbraw/zinc/08/49/04/486084904.db2.gz IVFZOJFJIDUBMH-UHFFFAOYSA-N 0 0 348.262 2.204 40 0 EEABRN Cc1noc(C)c1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257326005 490708128 /nfs/dbraw/zinc/70/81/28/490708128.db2.gz WVJAMCPTRHHLEL-QGZVFWFLSA-N 0 0 330.388 2.427 40 0 EEABRN COC(=O)c1cc(NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000057634948 500797903 /nfs/dbraw/zinc/79/79/03/500797903.db2.gz YPSAZYWXRLAZLN-PHIMTYICSA-N 0 0 340.807 2.174 40 0 EEABRN Cc1c([C@@H](C)NCc2nnc3n2CCCC3)cnn1-c1ccccn1 ZINC000183851329 533946075 /nfs/dbraw/zinc/94/60/75/533946075.db2.gz UTAHITGTJGCWOR-CYBMUJFWSA-N 0 0 337.431 2.354 40 0 EEABRN COc1ccccc1N1CC[C@H](Sc2nc3cncnc3[nH]2)C1=O ZINC000186789087 534157650 /nfs/dbraw/zinc/15/76/50/534157650.db2.gz ZDTROEOPQPJVOO-ZDUSSCGKSA-N 0 0 341.396 2.259 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000095404497 534686306 /nfs/dbraw/zinc/68/63/06/534686306.db2.gz UBHLJIVXNXWCHZ-CVEARBPZSA-N 0 0 340.431 2.430 40 0 EEABRN COC(=O)[C@@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccsc1 ZINC000253425372 523638825 /nfs/dbraw/zinc/63/88/25/523638825.db2.gz IJQSNJSFBAPCOM-ZBFHGGJFSA-N 0 0 348.472 2.263 40 0 EEABRN C[C@@]1(c2ccccc2)CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1=O ZINC000179976882 525896703 /nfs/dbraw/zinc/89/67/03/525896703.db2.gz NFTVYQWDOHADDU-FQEVSTJZSA-N 0 0 346.390 2.484 40 0 EEABRN O=C(CCn1cccn1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019406112 526674942 /nfs/dbraw/zinc/67/49/42/526674942.db2.gz JFHPGQJGRRRGSA-INIZCTEOSA-N 0 0 336.399 2.422 40 0 EEABRN CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000191459249 526723244 /nfs/dbraw/zinc/72/32/44/526723244.db2.gz KMPLFOSTSPLIBT-GFCCVEGCSA-N 0 0 344.242 2.215 40 0 EEABRN CCNS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1OCC ZINC000408701391 528375295 /nfs/dbraw/zinc/37/52/95/528375295.db2.gz XFVDDNZIBDRKHA-UHFFFAOYSA-N 0 0 342.461 2.159 40 0 EEABRN CCOc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)C ZINC000408700994 528391224 /nfs/dbraw/zinc/39/12/24/528391224.db2.gz PSNCXBUNUHUGMD-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN CCNC(=S)Nc1nc(Cl)cc(Sc2ncccn2)n1 ZINC000225884312 535451910 /nfs/dbraw/zinc/45/19/10/535451910.db2.gz CFYQZHMCJDWRQV-UHFFFAOYSA-N 0 0 326.838 2.378 40 0 EEABRN COc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)cc1F ZINC000257225864 536750880 /nfs/dbraw/zinc/75/08/80/536750880.db2.gz FIEQOTOWWNYCNN-ZDUSSCGKSA-N 0 0 345.374 2.448 40 0 EEABRN COCCNC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1 ZINC000225899371 536892551 /nfs/dbraw/zinc/89/25/51/536892551.db2.gz OHGKZCRPXANAJZ-UHFFFAOYSA-N 0 0 349.382 2.028 40 0 EEABRN COc1ncccc1C(=O)N1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257246341 537152043 /nfs/dbraw/zinc/15/20/43/537152043.db2.gz ITQRHHSIQJGBLI-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN COC(=O)Cc1nn(Cc2ccc(C#N)cc2)c(=O)c2ccccc12 ZINC000041107419 1277961946 /nfs/dbraw/zinc/96/19/46/1277961946.db2.gz SGAXGSIKTCQLLI-UHFFFAOYSA-N 0 0 333.347 2.032 40 0 EEABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCCn3ccnc3)o2)n1 ZINC000027980476 1352373651 /nfs/dbraw/zinc/37/36/51/1352373651.db2.gz YMPKCSPYVJUZKQ-UHFFFAOYSA-N 0 0 327.388 2.158 40 0 EEABRN Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000107531038 1358463231 /nfs/dbraw/zinc/46/32/31/1358463231.db2.gz SMVHQVBOGIRQDM-CNHKJKLMSA-N 0 0 334.550 2.436 40 0 EEABRN O=C1CC2(CCN(Cc3c[nH]cn3)CC2)ON1Cc1ccccc1 ZINC001549161682 1121134159 /nfs/dbraw/zinc/13/41/59/1121134159.db2.gz JHZZBDDIMCXTCC-UHFFFAOYSA-N 0 0 326.400 2.108 40 0 EEABRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1CO ZINC000054041022 214212100 /nfs/dbraw/zinc/21/21/00/214212100.db2.gz ORJSSKAKAIVFHC-UHFFFAOYSA-N 0 0 349.408 2.313 40 0 EEABRN O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000054276297 214229241 /nfs/dbraw/zinc/22/92/41/214229241.db2.gz YTUBJIMSVIQGCJ-LZLYRXPVSA-N 0 0 338.455 2.415 40 0 EEABRN C/C=C(\C)C(=O)OCCNC(=O)c1cncc(Br)c1 ZINC000098020679 219070586 /nfs/dbraw/zinc/07/05/86/219070586.db2.gz NQBQAPYTIGNLNJ-YCRREMRBSA-N 0 0 327.178 2.083 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc3c[nH]nc3c1)CC2 ZINC000191558185 530033753 /nfs/dbraw/zinc/03/37/53/530033753.db2.gz LWVSVBLJVUGUOT-UHFFFAOYSA-N 0 0 342.424 2.034 40 0 EEABRN CN(c1nncs1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000191799393 530039271 /nfs/dbraw/zinc/03/92/71/530039271.db2.gz BWTSYWYAQHYVBC-UHFFFAOYSA-N 0 0 337.348 2.468 40 0 EEABRN Cc1ccc2cc(CN(CCO)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000004131606 210127403 /nfs/dbraw/zinc/12/74/03/210127403.db2.gz NTFSOTKAFCZROF-UHFFFAOYSA-N 0 0 347.484 2.161 40 0 EEABRN Cc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000040488920 213318062 /nfs/dbraw/zinc/31/80/62/213318062.db2.gz MHKFPKZWRULZJE-UHFFFAOYSA-N 0 0 331.357 2.094 40 0 EEABRN O=C(CCc1nc2ccccc2[nH]1)NCc1nnc2n1CCCCC2 ZINC000040489519 213318744 /nfs/dbraw/zinc/31/87/44/213318744.db2.gz RZAJEIXHBYSACM-UHFFFAOYSA-N 0 0 338.415 2.130 40 0 EEABRN O=C(CNC(=O)c1cccnc1Oc1ccccc1)N1CCCC1 ZINC000040489104 213317945 /nfs/dbraw/zinc/31/79/45/213317945.db2.gz ISQZUSJRVSDAJQ-UHFFFAOYSA-N 0 0 325.368 2.226 40 0 EEABRN Ic1cccc(-c2nn3cnnc3s2)c1 ZINC000020154184 283040972 /nfs/dbraw/zinc/04/09/72/283040972.db2.gz XNHGLZQUFBFKGR-UHFFFAOYSA-N 0 0 328.138 2.457 40 0 EEABRN CC(C)c1noc([C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000038671104 213218633 /nfs/dbraw/zinc/21/86/33/213218633.db2.gz ZJWKWDMTRTUXKJ-LBPRGKRZSA-N 0 0 329.356 2.438 40 0 EEABRN O=C(CC1CCCC1)NCCn1ncc2c1ncnc2N1CCCC1 ZINC000038483333 213210504 /nfs/dbraw/zinc/21/05/04/213210504.db2.gz KTUQQPIKAMVBEV-UHFFFAOYSA-N 0 0 342.447 2.123 40 0 EEABRN CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc(O)c2)NC(=O)N1 ZINC000036612711 213101706 /nfs/dbraw/zinc/10/17/06/213101706.db2.gz UTPFTRWQHIZOQN-KRWDZBQOSA-N 0 0 337.379 2.337 40 0 EEABRN COc1cc2c(cc1OC)C[C@H](C(=O)OCc1ccccc1)NC2 ZINC000035565054 213039096 /nfs/dbraw/zinc/03/90/96/213039096.db2.gz BKYMGLDEHRTSOO-MRXNPFEDSA-N 0 0 327.380 2.462 40 0 EEABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000000428940 209595329 /nfs/dbraw/zinc/59/53/29/209595329.db2.gz UDYIVZXIUMKOPB-UHFFFAOYSA-N 0 0 334.441 2.207 40 0 EEABRN CCc1c(C)sc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1C(N)=O ZINC000033729819 212961318 /nfs/dbraw/zinc/96/13/18/212961318.db2.gz VKVJCNZQCVAKCQ-SKWLPYGWSA-N 0 0 330.409 2.029 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)c1nnsc1-c1ccccc1 ZINC000072239948 216078739 /nfs/dbraw/zinc/07/87/39/216078739.db2.gz QKPVLQFDMXJSBK-UHFFFAOYSA-N 0 0 327.413 2.485 40 0 EEABRN CCn1nc(C)c(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)c1C ZINC000072239557 216078741 /nfs/dbraw/zinc/07/87/41/216078741.db2.gz CJANKWJIDNASAP-AWEZNQCLSA-N 0 0 330.388 2.243 40 0 EEABRN Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)cn1 ZINC000072241832 216080529 /nfs/dbraw/zinc/08/05/29/216080529.db2.gz PQAORPCRDMSLJR-GDBMZVCRSA-N 0 0 330.363 2.107 40 0 EEABRN C[C@@H]1CCCCN1C(=O)CN1c2ccccc2C2=NCCCN2C1=O ZINC000072335722 216157512 /nfs/dbraw/zinc/15/75/12/216157512.db2.gz ZFEJHZBWOJSXSD-CQSZACIVSA-N 0 0 340.427 2.480 40 0 EEABRN CNC(=O)CCc1cc(C)nc([C@H]2CCCN2c2ncccn2)c1 ZINC000072360512 216167954 /nfs/dbraw/zinc/16/79/54/216167954.db2.gz LTYXEQJNKUEOGF-MRXNPFEDSA-N 0 0 325.416 2.200 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378325 216179227 /nfs/dbraw/zinc/17/92/27/216179227.db2.gz IYEAVUPQTYRXFQ-QGZVFWFLSA-N 0 0 347.390 2.480 40 0 EEABRN Cc1cc(N2CC[C@@H](c3cc(Nc4ncccn4)nc(C)n3)C2)ncn1 ZINC000072382761 216183276 /nfs/dbraw/zinc/18/32/76/216183276.db2.gz JPHLHMKWKWZMMQ-CQSZACIVSA-N 0 0 348.414 2.411 40 0 EEABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2CC(N)=O)n1 ZINC000072383598 216183972 /nfs/dbraw/zinc/18/39/72/216183972.db2.gz MNTMCAGNBAILPL-CYBMUJFWSA-N 0 0 330.363 2.339 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072383878 216184955 /nfs/dbraw/zinc/18/49/55/216184955.db2.gz HTDBSSLIOZHJFQ-ZDUSSCGKSA-N 0 0 328.372 2.016 40 0 EEABRN CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072388834 216189899 /nfs/dbraw/zinc/18/98/99/216189899.db2.gz OCYJZJHXZPGDFY-GOSISDBHSA-N 0 0 344.390 2.102 40 0 EEABRN C[C@H](NC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1)C(N)=O ZINC000190098156 238211820 /nfs/dbraw/zinc/21/18/20/238211820.db2.gz VOPJUXKHAHQRTB-QMMMGPOBSA-N 0 0 333.215 2.388 40 0 EEABRN COC(=O)[C@H](c1ccccc1F)N1CCN(c2nccs2)CC1 ZINC000072558667 216274903 /nfs/dbraw/zinc/27/49/03/216274903.db2.gz NUUWCCGMCGLOHY-AWEZNQCLSA-N 0 0 335.404 2.319 40 0 EEABRN Cc1occc1[S@@](=O)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000194639297 240660157 /nfs/dbraw/zinc/66/01/57/240660157.db2.gz SXRMHXFJWWZKIL-DEOSSOPVSA-N 0 0 346.408 2.461 40 0 EEABRN O=C(Cn1ccc(=O)c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000225720341 242002112 /nfs/dbraw/zinc/00/21/12/242002112.db2.gz WJJSVTCKKQEVRH-UHFFFAOYSA-N 0 0 347.418 2.350 40 0 EEABRN CCCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947407 242079520 /nfs/dbraw/zinc/07/95/20/242079520.db2.gz DXEZVWLQGUWAAV-CQSZACIVSA-N 0 0 330.425 2.113 40 0 EEABRN O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(C2CCC2)CC1 ZINC000225723656 242004560 /nfs/dbraw/zinc/00/45/60/242004560.db2.gz IIGHDCBVROXJGJ-MRXNPFEDSA-N 0 0 347.484 2.276 40 0 EEABRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2)N1CCCCCC1=O ZINC000227115610 242120827 /nfs/dbraw/zinc/12/08/27/242120827.db2.gz YOIBXXVEQVHUOW-GFCCVEGCSA-N 0 0 329.400 2.002 40 0 EEABRN CCn1ccc(NC(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)n1 ZINC000227150296 242121545 /nfs/dbraw/zinc/12/15/45/242121545.db2.gz VDAYNJWQUGKCJQ-ZDUSSCGKSA-N 0 0 325.372 2.495 40 0 EEABRN Cc1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 ZINC000226009051 242085323 /nfs/dbraw/zinc/08/53/23/242085323.db2.gz BUMWQJBHPOPSIP-UHFFFAOYSA-N 0 0 335.477 2.241 40 0 EEABRN CN(c1ccc(O)cc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000239882044 242963851 /nfs/dbraw/zinc/96/38/51/242963851.db2.gz CZYYNRWGCILLIU-UHFFFAOYSA-N 0 0 343.408 2.462 40 0 EEABRN Cc1ccnc(S[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)n1 ZINC000020798924 212171287 /nfs/dbraw/zinc/17/12/87/212171287.db2.gz VLVQCGUAXLUQRO-GFCCVEGCSA-N 0 0 335.335 2.487 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000246658077 243288146 /nfs/dbraw/zinc/28/81/46/243288146.db2.gz UHEJGMXBKQGPMG-CGTJXYLNSA-N 0 0 344.455 2.248 40 0 EEABRN CCNC(=O)CNC(=O)CCSc1ccccc1Br ZINC000040107254 213265408 /nfs/dbraw/zinc/26/54/08/213265408.db2.gz VHVMUFLQBUGALA-UHFFFAOYSA-N 0 0 345.262 2.184 40 0 EEABRN CC(C)[C@@H](NC(=O)N[C@@H](C)C(=O)NCCF)c1ccc(F)cc1F ZINC000252508154 243832014 /nfs/dbraw/zinc/83/20/14/243832014.db2.gz XERYYPOIPKEHAI-IINYFYTJSA-N 0 0 345.365 2.435 40 0 EEABRN Cc1nc(C)c(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1 ZINC000253418068 243943015 /nfs/dbraw/zinc/94/30/15/243943015.db2.gz ZUMWLSDAAHHJJJ-ZDUSSCGKSA-N 0 0 347.440 2.060 40 0 EEABRN Cn1nccc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000253398477 243903870 /nfs/dbraw/zinc/90/38/70/243903870.db2.gz SZXAAVFFIBRCFP-SNVBAGLBSA-N 0 0 340.152 2.185 40 0 EEABRN O=C(CCc1cnccn1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000253427440 243969839 /nfs/dbraw/zinc/96/98/39/243969839.db2.gz AUKMXVBSLCZKBD-CQSZACIVSA-N 0 0 330.363 2.013 40 0 EEABRN Cn1nccc1N1CCC[C@@H](NC(=O)N2CC[C@H]3CCCC[C@H]32)C1 ZINC000253419449 243951549 /nfs/dbraw/zinc/95/15/49/243951549.db2.gz NFOLJOTYJJENTM-BZUAXINKSA-N 0 0 331.464 2.363 40 0 EEABRN O=C(CC1CCOCC1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257224103 244195317 /nfs/dbraw/zinc/19/53/17/244195317.db2.gz FAIFLOCQBHISMS-UHFFFAOYSA-N 0 0 328.416 2.252 40 0 EEABRN Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCCN2CCC(N)=O)n1 ZINC000257226097 244201020 /nfs/dbraw/zinc/20/10/20/244201020.db2.gz FJDOYVVSJKXQAR-OAHLLOKOSA-N 0 0 343.431 2.459 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)c4ocnc4C)CC3)ccn2n1 ZINC000257229507 244206951 /nfs/dbraw/zinc/20/69/51/244206951.db2.gz FYJAXNUWSSPEGD-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN CNc1cc(CC[C@@H]2CN(Cc3cnc(C)cn3)CCO2)ccn1 ZINC000257229201 244207946 /nfs/dbraw/zinc/20/79/46/244207946.db2.gz FXDDJCAJJMVXSW-QGZVFWFLSA-N 0 0 327.432 2.055 40 0 EEABRN O=C(c1cnccn1)N1CCOC[C@@H](Cc2ccccc2Cl)C1 ZINC000257244465 244252774 /nfs/dbraw/zinc/25/27/74/244252774.db2.gz ILLKQSRPQQUVFN-ZDUSSCGKSA-N 0 0 331.803 2.461 40 0 EEABRN Cc1nc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)co1 ZINC000257246626 244258328 /nfs/dbraw/zinc/25/83/28/244258328.db2.gz IUZPYBOUQONKHS-DJIMGWMZSA-N 0 0 330.384 2.464 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c(C)nc4ccccn43)C2)n1 ZINC000257234533 244224109 /nfs/dbraw/zinc/22/41/09/244224109.db2.gz GTYYKLVRLDISQM-HNNXBMFYSA-N 0 0 337.427 2.243 40 0 EEABRN C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)NCCO)ccc2O1 ZINC000257241957 244243478 /nfs/dbraw/zinc/24/34/78/244243478.db2.gz IAJXDDQSUPSNGM-LJQANCHMSA-N 0 0 329.371 2.484 40 0 EEABRN Cc1cnc(-c2ncccc2C[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000257255556 244280852 /nfs/dbraw/zinc/28/08/52/244280852.db2.gz KHXZDTVWGSSYPD-LBPRGKRZSA-N 0 0 337.470 2.338 40 0 EEABRN O=C(Cc1ccc(F)c(F)c1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257257204 244283810 /nfs/dbraw/zinc/28/38/10/244283810.db2.gz KONPVFDVDMYUCJ-CQSZACIVSA-N 0 0 347.365 2.015 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)nc(C)n1 ZINC000257271244 244375506 /nfs/dbraw/zinc/37/55/06/244375506.db2.gz MXMBDTJEJWXZOK-MRXNPFEDSA-N 0 0 342.447 2.083 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2cccc3ncccc32)CCO1 ZINC000257274588 244387856 /nfs/dbraw/zinc/38/78/56/244387856.db2.gz NLTABBUUMWSTDD-MRXNPFEDSA-N 0 0 349.394 2.280 40 0 EEABRN CC1(c2nccs2)CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000257274657 244389080 /nfs/dbraw/zinc/38/90/80/244389080.db2.gz NLZGVAGUDNBEJE-UHFFFAOYSA-N 0 0 327.413 2.380 40 0 EEABRN COc1ccc(OCC(=O)N2CCO[C@H](c3ccncc3)C2)cc1 ZINC000257275718 244392656 /nfs/dbraw/zinc/39/26/56/244392656.db2.gz NQQCZABTTIVQLQ-KRWDZBQOSA-N 0 0 328.368 2.069 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 ZINC000019932976 212086849 /nfs/dbraw/zinc/08/68/49/212086849.db2.gz SUUXXMGBHAASJG-UHFFFAOYSA-N 0 0 338.473 2.470 40 0 EEABRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000096462388 296142611 /nfs/dbraw/zinc/14/26/11/296142611.db2.gz IRPZCHIDVYVFPJ-ABAIWWIYSA-N 0 0 342.436 2.111 40 0 EEABRN CO[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@@]12CCCO2 ZINC000257302051 244467429 /nfs/dbraw/zinc/46/74/29/244467429.db2.gz SBESGPAJHXCOHH-HOCLYGCPSA-N 0 0 327.783 2.428 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2F)[nH]c(=O)c1C ZINC000019555498 212040645 /nfs/dbraw/zinc/04/06/45/212040645.db2.gz YIHQQSBFHBLPIE-HNNXBMFYSA-N 0 0 329.375 2.432 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2ccccn2)C1 ZINC000078057809 217016438 /nfs/dbraw/zinc/01/64/38/217016438.db2.gz YMKHLIHFOOZORK-OAHLLOKOSA-N 0 0 332.448 2.166 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(cc1=O)CO[C@@H]2C ZINC000019214623 212005712 /nfs/dbraw/zinc/00/57/12/212005712.db2.gz RSSLDYGKTFAAOA-SNVBAGLBSA-N 0 0 333.775 2.435 40 0 EEABRN O=[S@@](Cc1csc(-c2ccco2)n1)Cc1nnnn1C1CC1 ZINC000078602629 217083824 /nfs/dbraw/zinc/08/38/24/217083824.db2.gz GULYVZKSAMLWRJ-JOCHJYFZSA-N 0 0 335.414 2.173 40 0 EEABRN C[C@@H](NC(=O)c1ccoc1)c1nc(CC(=O)Nc2ccccc2)no1 ZINC000078774422 217118391 /nfs/dbraw/zinc/11/83/91/217118391.db2.gz LVYGFJBHCABKPN-LLVKDONJSA-N 0 0 340.339 2.335 40 0 EEABRN COc1c(C(=O)NCCc2cc(Cl)ccc2OC)c(C)nn1C ZINC000079002048 217172182 /nfs/dbraw/zinc/17/21/82/217172182.db2.gz ZYDQEYWDVDTPTM-UHFFFAOYSA-N 0 0 337.807 2.372 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCC(C)C)c(C)c1 ZINC000016267435 211892642 /nfs/dbraw/zinc/89/26/42/211892642.db2.gz QBAYFNJLZUAWIE-UHFFFAOYSA-N 0 0 340.489 2.395 40 0 EEABRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000079330215 217210065 /nfs/dbraw/zinc/21/00/65/217210065.db2.gz SUUSTSHFYFFZMB-CQSZACIVSA-N 0 0 344.415 2.222 40 0 EEABRN O=C(CCc1cccnc1)NCCc1csc(N2CCCC2)n1 ZINC000079355266 217213015 /nfs/dbraw/zinc/21/30/15/217213015.db2.gz LILBYYFRDSMDRW-UHFFFAOYSA-N 0 0 330.457 2.430 40 0 EEABRN O=C([O-])C[NH+]1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079414035 217221411 /nfs/dbraw/zinc/22/14/11/217221411.db2.gz JBSHJAZNRZWVMF-UHFFFAOYSA-N 0 0 332.400 2.337 40 0 EEABRN Cc1nn(C(C)C)c(C)c1NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000080598153 217316695 /nfs/dbraw/zinc/31/66/95/217316695.db2.gz YZSLVWFCHFALCD-UHFFFAOYSA-N 0 0 346.435 2.419 40 0 EEABRN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nncn1C ZINC000080581892 217314732 /nfs/dbraw/zinc/31/47/32/217314732.db2.gz WDQOURDMPDGTIJ-GFCCVEGCSA-N 0 0 346.410 2.301 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCO[C@@H](C)C2)sc1Br ZINC000081037686 217354923 /nfs/dbraw/zinc/35/49/23/217354923.db2.gz DNSWKDGSPJAFRT-QMMMGPOBSA-N 0 0 340.264 2.228 40 0 EEABRN Cc1nnc([C@@H]2CCCN2C(=O)c2cccc(OCC(F)F)n2)o1 ZINC000089862446 217864967 /nfs/dbraw/zinc/86/49/67/217864967.db2.gz NSJQCHRBSBCRES-NSHDSACASA-N 0 0 338.314 2.394 40 0 EEABRN O=C(COc1ccccc1C=C1SC(=O)NC1=O)N1CCCCC1 ZINC000012438120 211381275 /nfs/dbraw/zinc/38/12/75/211381275.db2.gz WZXFNNZQJJWLCE-UVTDQMKNSA-N 0 0 346.408 2.402 40 0 EEABRN Cn1nc([C@@H]2CCCN(C(=O)c3cccs3)C2)c2nccnc21 ZINC000012365097 211356630 /nfs/dbraw/zinc/35/66/30/211356630.db2.gz OOBPBIOLEWPOMW-LLVKDONJSA-N 0 0 327.413 2.445 40 0 EEABRN Cc1nonc1CC(=O)N[C@@H](Cc1cccs1)c1ccccn1 ZINC000012234139 211326937 /nfs/dbraw/zinc/32/69/37/211326937.db2.gz PLYKBQJIICZFDD-HNNXBMFYSA-N 0 0 328.397 2.477 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)o1 ZINC000012182609 211312283 /nfs/dbraw/zinc/31/22/83/211312283.db2.gz IZVIGVCFWPZJET-TXEJJXNPSA-N 0 0 344.415 2.183 40 0 EEABRN CCc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000012115550 211294216 /nfs/dbraw/zinc/29/42/16/211294216.db2.gz MPYQTNLDPFNIRI-UHFFFAOYSA-N 0 0 342.399 2.172 40 0 EEABRN Cn1nccc1CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000091601668 218030344 /nfs/dbraw/zinc/03/03/44/218030344.db2.gz MYEGRQUEONXCCG-GJZGRUSLSA-N 0 0 334.807 2.403 40 0 EEABRN NC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 ZINC000009897672 211131677 /nfs/dbraw/zinc/13/16/77/211131677.db2.gz OBEJXPRMYBMJBB-UHFFFAOYSA-N 0 0 328.397 2.088 40 0 EEABRN CC(C)[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1nc(C2CC2)no1 ZINC000095351225 218285813 /nfs/dbraw/zinc/28/58/13/218285813.db2.gz NCEKIERWFSNQGV-CQSZACIVSA-N 0 0 333.436 2.134 40 0 EEABRN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)CC2CC2)cc1 ZINC000095397131 218329291 /nfs/dbraw/zinc/32/92/91/218329291.db2.gz WZMGOXZDWPESJR-UHFFFAOYSA-N 0 0 348.468 2.283 40 0 EEABRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000095445822 218389786 /nfs/dbraw/zinc/38/97/86/218389786.db2.gz KARKGANVXNIVRG-CYBMUJFWSA-N 0 0 344.386 2.237 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096045588 218532177 /nfs/dbraw/zinc/53/21/77/218532177.db2.gz CFHNSNNHRHHIHI-INIZCTEOSA-N 0 0 340.427 2.383 40 0 EEABRN COC[C@@H]1CN(Cc2cccc(C)n2)Cc2nnn(CC3CC3)c21 ZINC000096045566 218532191 /nfs/dbraw/zinc/53/21/91/218532191.db2.gz NOVFUQCEPOOHBA-HNNXBMFYSA-N 0 0 327.432 2.137 40 0 EEABRN COCc1cnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@H]2C ZINC000096109618 218605188 /nfs/dbraw/zinc/60/51/88/218605188.db2.gz JLCWPQRKJYDAAI-AWEZNQCLSA-N 0 0 329.400 2.320 40 0 EEABRN Cn1nc(CCC(=O)Nc2ccccc2Br)ccc1=O ZINC000096123967 218615559 /nfs/dbraw/zinc/61/55/59/218615559.db2.gz UFHAEOPTOLEGDL-UHFFFAOYSA-N 0 0 336.189 2.114 40 0 EEABRN c1nnc(N2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096229016 218705797 /nfs/dbraw/zinc/70/57/97/218705797.db2.gz BSGOGKPWHXIMTB-MRXNPFEDSA-N 0 0 331.445 2.057 40 0 EEABRN O=S(=O)(c1ccccc1F)N1CCc2ncnc(C3CC3)c2CC1 ZINC000096255144 218725042 /nfs/dbraw/zinc/72/50/42/218725042.db2.gz CMRLYMBUHMISMB-UHFFFAOYSA-N 0 0 347.415 2.283 40 0 EEABRN O=C1CSc2c(O)n(-c3ccccc3)c(O)c2N1c1ccccc1 ZINC000010153032 284988894 /nfs/dbraw/zinc/98/88/94/284988894.db2.gz YBZLNTFHYHCKBN-JKSUJKDBSA-N 0 0 338.388 2.077 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)Nc2cc(CO)ccc2Cl)c1C ZINC000096423540 218790982 /nfs/dbraw/zinc/79/09/82/218790982.db2.gz QZSCPACBIKTPSV-UHFFFAOYSA-N 0 0 343.836 2.466 40 0 EEABRN CN1C[C@@H](Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1=O ZINC000096429362 218802174 /nfs/dbraw/zinc/80/21/74/218802174.db2.gz AQZIARHRDVXSPS-JTQLQIEISA-N 0 0 337.305 2.200 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000005679828 210514023 /nfs/dbraw/zinc/51/40/23/210514023.db2.gz BYESZARTWADCPO-UHFFFAOYSA-N 0 0 340.351 2.467 40 0 EEABRN CN(Cc1ccccc1F)C(=O)COc1cccc(-n2cncn2)c1 ZINC000096447950 218830896 /nfs/dbraw/zinc/83/08/96/218830896.db2.gz VTVYVAYBLBZNCZ-UHFFFAOYSA-N 0 0 340.358 2.444 40 0 EEABRN NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccncc2Cl)CC1 ZINC000096453994 218837403 /nfs/dbraw/zinc/83/74/03/218837403.db2.gz WYUMPQLTDXVFJU-MRXNPFEDSA-N 0 0 330.819 2.084 40 0 EEABRN C[C@@H](c1cccs1)S(=O)(=O)CC(=O)N(C)CC(F)(F)F ZINC000096451879 218834776 /nfs/dbraw/zinc/83/47/76/218834776.db2.gz ZSVLFTGIUKYSLO-QMMMGPOBSA-N 0 0 329.365 2.245 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccccc1 ZINC000096519813 218882049 /nfs/dbraw/zinc/88/20/49/218882049.db2.gz ZMKUQDCXCCHWSZ-NXEZZACHSA-N 0 0 327.627 2.442 40 0 EEABRN O=C(Cn1c2ccccc2n(C[C@@H]2CS2)c1=O)N1CCCCCC1 ZINC000004904792 210319119 /nfs/dbraw/zinc/31/91/19/210319119.db2.gz HMOCXMMCBDETKF-CQSZACIVSA-N 0 0 345.468 2.321 40 0 EEABRN CCCc1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1CCOC ZINC000004878314 210309822 /nfs/dbraw/zinc/30/98/22/210309822.db2.gz PLASLSIBHNVXOS-CYBMUJFWSA-N 0 0 340.493 2.228 40 0 EEABRN CNC(=O)CCCN(C)C(=O)Cc1ccc(Br)cc1C ZINC000097233827 219001210 /nfs/dbraw/zinc/00/12/10/219001210.db2.gz UPNLLVQECJDXLZ-UHFFFAOYSA-N 0 0 341.249 2.285 40 0 EEABRN COc1ccc(C(=O)NC2CCN(C(=S)NCC(C)C)CC2)cc1 ZINC000004888567 210313471 /nfs/dbraw/zinc/31/34/71/210313471.db2.gz HUVIAODUOGVLOG-UHFFFAOYSA-N 0 0 349.500 2.420 40 0 EEABRN Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1nccn(C)c1=O)CCC2 ZINC000097375112 219018597 /nfs/dbraw/zinc/01/85/97/219018597.db2.gz WPBVQOQFNMUPSF-NSHDSACASA-N 0 0 333.417 2.087 40 0 EEABRN Cc1nnc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)s1 ZINC000036635249 257913500 /nfs/dbraw/zinc/91/35/00/257913500.db2.gz NSRHYDMFZXDQCH-SNVBAGLBSA-N 0 0 348.409 2.444 40 0 EEABRN CN(C)C(=O)N1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306140595 257924210 /nfs/dbraw/zinc/92/42/10/257924210.db2.gz UYKZOGIVXDEUIM-IBGZPJMESA-N 0 0 337.427 2.122 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@H]1C ZINC000282023203 257985737 /nfs/dbraw/zinc/98/57/37/257985737.db2.gz JOYDGBLMVINYGE-PIGZYNQJSA-N 0 0 334.372 2.387 40 0 EEABRN Clc1nc(N2CCOCC2)nc(N2CCCc3ccccc32)n1 ZINC000000152550 135645637 /nfs/dbraw/zinc/64/56/37/135645637.db2.gz LSVIWXAFIPXZEI-UHFFFAOYSA-N 0 0 331.807 2.446 40 0 EEABRN Cc1ccc([C@@]2(O)N=C3C=CC(C)=CN3[C@@H]2CC(=O)N(C)C)cc1 ZINC000095864799 292238979 /nfs/dbraw/zinc/23/89/79/292238979.db2.gz VLHJPCWGOSLMQL-APWZRJJASA-N 0 0 325.412 2.175 40 0 EEABRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cccc(N)c1 ZINC000261749788 160413594 /nfs/dbraw/zinc/41/35/94/160413594.db2.gz UOYXCLSEMLHBTA-MRXNPFEDSA-N 0 0 326.396 2.500 40 0 EEABRN CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000096460883 286619611 /nfs/dbraw/zinc/61/96/11/286619611.db2.gz UKASUSZPQHJZOE-HNNXBMFYSA-N 0 0 348.424 2.136 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)CC12CCOCC2 ZINC000096240757 275655939 /nfs/dbraw/zinc/65/59/39/275655939.db2.gz PHHCLTSXMYHBDN-KRWDZBQOSA-N 0 0 344.455 2.009 40 0 EEABRN CC(C)n1ccnc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257210062 276086306 /nfs/dbraw/zinc/08/63/06/276086306.db2.gz BSYXLVONOYQOFP-IRXDYDNUSA-N 0 0 340.427 2.080 40 0 EEABRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000078768648 276953812 /nfs/dbraw/zinc/95/38/12/276953812.db2.gz OLTXXGRBGBLOJV-WBVHZDCISA-N 0 0 343.379 2.445 40 0 EEABRN COC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218606792 277269574 /nfs/dbraw/zinc/26/95/74/277269574.db2.gz QMDVDWUIDPCAPX-SQNIBIBYSA-N 0 0 349.427 2.418 40 0 EEABRN CC(C)/C=C1/NC(=O)[C@@H](C(C)C)n2c(=O)c3cccc(O)c3nc21 ZINC000209369251 277320599 /nfs/dbraw/zinc/32/05/99/277320599.db2.gz UVGDCLGJXMBOBD-INDWDQIESA-N 0 0 327.384 2.426 40 0 biogenic,in-vitro EEABRN O=C([C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCCO1 ZINC000152654754 280083573 /nfs/dbraw/zinc/08/35/73/280083573.db2.gz FCHFKQWMEGKHKM-CQSZACIVSA-N 0 0 349.456 2.102 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096039235 293297046 /nfs/dbraw/zinc/29/70/46/293297046.db2.gz TXLBVUYIWRPNHP-SJLPKXTDSA-N 0 0 337.391 2.492 40 0 EEABRN O=C(C1=CCCC1)N1CC[C@]2(C1)C[C@@H](Nc1ncccn1)CCO2 ZINC000096206786 295423253 /nfs/dbraw/zinc/42/32/53/295423253.db2.gz ZJMUEZXFYXNEQC-MAUKXSAKSA-N 0 0 328.416 2.149 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826781 295514795 /nfs/dbraw/zinc/51/47/95/295514795.db2.gz ZCTNFNABRMTJIB-UHFFFAOYSA-N 0 0 329.805 2.099 40 0 EEABRN Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1S(C)(=O)=O ZINC000012159881 303043360 /nfs/dbraw/zinc/04/33/60/303043360.db2.gz VWIXYUKATKYAAG-SECBINFHSA-N 0 0 325.356 2.316 40 0 EEABRN CO[C@@H](C)c1noc(CN(C)C(=O)c2ccnn2C2CCCC2)n1 ZINC000330156405 311729597 /nfs/dbraw/zinc/72/95/97/311729597.db2.gz OROQXFDGXPAAAI-NSHDSACASA-N 0 0 333.392 2.361 40 0 EEABRN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000331212985 311828247 /nfs/dbraw/zinc/82/82/47/311828247.db2.gz KTWSSSWCVHNBJD-CYBMUJFWSA-N 0 0 346.399 2.167 40 0 EEABRN O=C(NC[C@@H]1CCCC1(F)F)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000334093772 312238550 /nfs/dbraw/zinc/23/85/50/312238550.db2.gz PUSHRCFTDCBQDN-UONOGXRCSA-N 0 0 337.370 2.305 40 0 EEABRN O=C(C[C@H]1COCCN1Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000097095908 323320518 /nfs/dbraw/zinc/32/05/18/323320518.db2.gz AIZOKNWDKJQPGH-HNNXBMFYSA-N 0 0 327.384 2.421 40 0 EEABRN COc1ccc(C(=O)N(C)Cc2ccccc2C)cc1-n1cnnn1 ZINC000097237608 323321208 /nfs/dbraw/zinc/32/12/08/323321208.db2.gz XRSQHNOVFOELPG-UHFFFAOYSA-N 0 0 337.383 2.252 40 0 EEABRN CC(C)CCn1ccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)n1 ZINC000097104116 323321275 /nfs/dbraw/zinc/32/12/75/323321275.db2.gz VWAHOKDCBYKSSM-MRXNPFEDSA-N 0 0 349.479 2.115 40 0 EEABRN O=C(NCCc1cn2c(n1)CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234549 323321590 /nfs/dbraw/zinc/32/15/90/323321590.db2.gz ZFMJBEZEUDXJIM-INIZCTEOSA-N 0 0 342.447 2.422 40 0 EEABRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CC ZINC000060388004 462545853 /nfs/dbraw/zinc/54/58/53/462545853.db2.gz GGRNNPLSMXEPEB-UHFFFAOYSA-N 0 0 328.434 2.464 40 0 EEABRN CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000000428951 462562455 /nfs/dbraw/zinc/56/24/55/462562455.db2.gz HHESLGSSIUTNTN-UHFFFAOYSA-N 0 0 336.457 2.310 40 0 EEABRN COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)CCN3C=O)cc1 ZINC000060801795 462566308 /nfs/dbraw/zinc/56/63/08/462566308.db2.gz FKVUZLYLWGZNHK-UHFFFAOYSA-N 0 0 339.347 2.254 40 0 EEABRN CC(C)OC(=O)c1ccc(COC(=O)CNC(=O)c2ccco2)cc1 ZINC000000515116 462567439 /nfs/dbraw/zinc/56/74/39/462567439.db2.gz XUQAJRRJDIFBFJ-UHFFFAOYSA-N 0 0 345.351 2.318 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000000574916 462571286 /nfs/dbraw/zinc/57/12/86/462571286.db2.gz OJXUJFIIQOGSCX-UHFFFAOYSA-N 0 0 328.409 2.359 40 0 EEABRN CCCC(=O)NC(=S)Nc1ccc(NC(=S)NC(C)=O)cc1 ZINC000000570317 462571325 /nfs/dbraw/zinc/57/13/25/462571325.db2.gz YIXRHEXNALNMAH-UHFFFAOYSA-N 0 0 338.458 2.133 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)cc1 ZINC000000973965 462575188 /nfs/dbraw/zinc/57/51/88/462575188.db2.gz OYDQIDKLCFZRLT-UHFFFAOYSA-N 0 0 346.364 2.116 40 0 EEABRN Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@H](O)[C@H](O)CO)cc1C ZINC000001700364 462584930 /nfs/dbraw/zinc/58/49/30/462584930.db2.gz ZWYPGCWCMYGGJT-HMXCVIKNSA-N 0 0 344.451 2.127 40 0 EEABRN Cc1cc(N2CCOCC2)nc(SCC(=O)Nc2ccccc2)n1 ZINC000003103667 462610401 /nfs/dbraw/zinc/61/04/01/462610401.db2.gz BKNIOQLDLNWBEH-UHFFFAOYSA-N 0 0 344.440 2.352 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000045826081 462622391 /nfs/dbraw/zinc/62/23/91/462622391.db2.gz LGKWEFHUVHMDQP-JTQLQIEISA-N 0 0 340.351 2.270 40 0 EEABRN COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000005669530 462666066 /nfs/dbraw/zinc/66/60/66/462666066.db2.gz QGOWTTKTCNIKCE-UHFFFAOYSA-N 0 0 326.190 2.474 40 0 EEABRN C[S@](=O)CC[C@H]1C(=O)O[C@H](C(C)(C)C)N1C(=O)c1ccccc1 ZINC000005714627 462667857 /nfs/dbraw/zinc/66/78/57/462667857.db2.gz ZVOJFNZMAQFTHI-IBRHDDFTSA-N 0 0 337.441 2.195 40 0 EEABRN Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)c1 ZINC000006207979 462679797 /nfs/dbraw/zinc/67/97/97/462679797.db2.gz VGXMVDWBOSDWMP-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN C[C@H](C(=O)NC(C)(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006201756 462679913 /nfs/dbraw/zinc/67/99/13/462679913.db2.gz ITTHQVUJXGEMEW-SNVBAGLBSA-N 0 0 332.853 2.409 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cs1 ZINC000006681666 462697128 /nfs/dbraw/zinc/69/71/28/462697128.db2.gz GGQFKYIQKHSSMJ-UHFFFAOYSA-N 0 0 338.454 2.019 40 0 EEABRN CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O ZINC000006879653 462710105 /nfs/dbraw/zinc/71/01/05/462710105.db2.gz HPZSEXYXPWSZBH-LCYFTJDESA-N 0 0 334.397 2.258 40 0 EEABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000006880496 462710772 /nfs/dbraw/zinc/71/07/72/462710772.db2.gz ACEKDGKZTDFBFV-UHFFFAOYSA-N 0 0 348.424 2.392 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCCC1 ZINC000008223239 462773722 /nfs/dbraw/zinc/77/37/22/462773722.db2.gz NAAVOLQUIWGAIM-GFCCVEGCSA-N 0 0 344.864 2.409 40 0 EEABRN C=Cn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 ZINC000010119551 462813161 /nfs/dbraw/zinc/81/31/61/462813161.db2.gz MJPNPCIJBRHKAP-UHFFFAOYSA-N 0 0 328.557 2.442 40 0 EEABRN Cc1ccc([C@@](O)(CC(=O)N[C@@H](C)c2cnn(C)c2)C(F)(F)F)o1 ZINC000091059772 462828444 /nfs/dbraw/zinc/82/84/44/462828444.db2.gz BJEUEJJDAXURKL-HZMBPMFUSA-N 0 0 345.321 2.339 40 0 EEABRN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181420 462847107 /nfs/dbraw/zinc/84/71/07/462847107.db2.gz FAEMBUTTZRVJSV-FRRDWIJNSA-N 0 0 344.415 2.151 40 0 EEABRN C[C@@H](NC(=O)N1CCO[C@@H](C)C1)c1nc(-c2cccc(F)c2)no1 ZINC000076486423 462867289 /nfs/dbraw/zinc/86/72/89/462867289.db2.gz MFQNYGAXRUNZDA-WDEREUQCSA-N 0 0 334.351 2.367 40 0 EEABRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)C)ccc1OC ZINC000013581309 462895354 /nfs/dbraw/zinc/89/53/54/462895354.db2.gz HLZZXMIUTNWWFC-UHFFFAOYSA-N 0 0 342.461 2.112 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@@H](O)c1ccco1 ZINC000077111784 462940399 /nfs/dbraw/zinc/94/03/99/462940399.db2.gz RQKWMHNNQHXFFV-CYBMUJFWSA-N 0 0 339.413 2.307 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000015563645 462955208 /nfs/dbraw/zinc/95/52/08/462955208.db2.gz LMNVWQDAWKERTO-CQSZACIVSA-N 0 0 346.452 2.346 40 0 EEABRN CC(=O)N1CCC(C(=O)c2cnn(-c3cccc(F)c3)c2N)CC1 ZINC000019016787 463012613 /nfs/dbraw/zinc/01/26/13/463012613.db2.gz RUWPMWUBXJXHDQ-UHFFFAOYSA-N 0 0 330.363 2.035 40 0 EEABRN CCc1nc(C)cc(N2CCN(C[C@@H](O)c3cccs3)CC2)n1 ZINC000019523159 463017874 /nfs/dbraw/zinc/01/78/74/463017874.db2.gz QHMLRMNJSOXFQW-CQSZACIVSA-N 0 0 332.473 2.265 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCc1coc2ccccc12 ZINC000077665686 463019160 /nfs/dbraw/zinc/01/91/60/463019160.db2.gz UXPGXHVNAZWBBB-RYUDHWBXSA-N 0 0 336.413 2.150 40 0 EEABRN COCCC(=O)N1CC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 ZINC000019704991 463020742 /nfs/dbraw/zinc/02/07/42/463020742.db2.gz KYDLIOLXYXKANY-LBPRGKRZSA-N 0 0 331.420 2.131 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H](c2ncc3c(n2)CCCC3=O)C1 ZINC000019700879 463021177 /nfs/dbraw/zinc/02/11/77/463021177.db2.gz QNSSQMSJLWHWQN-CQSZACIVSA-N 0 0 336.395 2.410 40 0 EEABRN CN(C)Cc1cc([C@@H]2CCCN2C(=O)COc2ccccc2)n[nH]1 ZINC000019709027 463021315 /nfs/dbraw/zinc/02/13/15/463021315.db2.gz BXQXFRFUCXTFFI-KRWDZBQOSA-N 0 0 328.416 2.214 40 0 EEABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[C@@H](O)COCc1ccccc1Cl ZINC000024095509 463078419 /nfs/dbraw/zinc/07/84/19/463078419.db2.gz WKACAFUZWGHEDL-ILXRZTDVSA-N 0 0 349.814 2.169 40 0 EEABRN Cc1nccc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)n1 ZINC000078309336 463103695 /nfs/dbraw/zinc/10/36/95/463103695.db2.gz WDJHPAYEHAJEMB-UHFFFAOYSA-N 0 0 347.369 2.095 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)n1 ZINC000096042233 463147899 /nfs/dbraw/zinc/14/78/99/463147899.db2.gz NXTOVHIYMBEMIO-YQQAZPJKSA-N 0 0 331.441 2.487 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cn1 ZINC000096042593 463148255 /nfs/dbraw/zinc/14/82/55/463148255.db2.gz WMSVNQLWPDFPLG-NUJGCVRESA-N 0 0 339.395 2.236 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096048636 463151859 /nfs/dbraw/zinc/15/18/59/463151859.db2.gz ARVRAUAISBWKMG-IBGZPJMESA-N 0 0 339.395 2.330 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cccs2)n1 ZINC000096054044 463156692 /nfs/dbraw/zinc/15/66/92/463156692.db2.gz SBHFWWCSNHIEQN-GJZGRUSLSA-N 0 0 341.436 2.467 40 0 EEABRN Cc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096062502 463162737 /nfs/dbraw/zinc/16/27/37/463162737.db2.gz UIUGEGWDBKBVHO-GOSISDBHSA-N 0 0 328.416 2.107 40 0 EEABRN Cc1ccc(N2C[C@@]3(CC2=O)CCCCN3C(=O)c2ccoc2)nn1 ZINC000096071737 463166087 /nfs/dbraw/zinc/16/60/87/463166087.db2.gz IPIQCKXHXIZMQN-SFHVURJKSA-N 0 0 340.383 2.180 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@H](Nc4nccs4)CO3)C2)[nH]n1 ZINC000096073812 463166777 /nfs/dbraw/zinc/16/67/77/463166777.db2.gz UMQIQYLPIQVXRO-LRDDRELGSA-N 0 0 347.444 2.050 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096073754 463167085 /nfs/dbraw/zinc/16/70/85/463167085.db2.gz FDYHDXULKGKJFP-UGSOOPFHSA-N 0 0 344.390 2.425 40 0 EEABRN Cc1ccc(N2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)nn1 ZINC000096074847 463169565 /nfs/dbraw/zinc/16/95/65/463169565.db2.gz YOZVNZKHGVXTDF-SFHVURJKSA-N 0 0 328.416 2.249 40 0 EEABRN CCc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCOC)c1 ZINC000096081236 463170779 /nfs/dbraw/zinc/17/07/79/463170779.db2.gz PQKFNLLOGDGSIP-HOTGVXAUSA-N 0 0 331.416 2.103 40 0 EEABRN CS(=O)(=O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000096098197 463172142 /nfs/dbraw/zinc/17/21/42/463172142.db2.gz IIAOENAKBSPHCE-UHFFFAOYSA-N 0 0 335.347 2.355 40 0 EEABRN O=C(c1ccnnc1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106473 463173948 /nfs/dbraw/zinc/17/39/48/463173948.db2.gz UZIXHDGGYMBGGN-KRWDZBQOSA-N 0 0 345.443 2.162 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110392 463178705 /nfs/dbraw/zinc/17/87/05/463178705.db2.gz XOLFRMDOTMKWDL-MJGOQNOKSA-N 0 0 342.395 2.304 40 0 EEABRN O=C(c1ccccc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122100 463182521 /nfs/dbraw/zinc/18/25/21/463182521.db2.gz LGTZRGMBZQKSAC-UHFFFAOYSA-N 0 0 339.800 2.372 40 0 EEABRN Cc1cnc(N2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)nc1 ZINC000096158320 463189276 /nfs/dbraw/zinc/18/92/76/463189276.db2.gz NCTLEYPAXIORSP-QGZVFWFLSA-N 0 0 328.395 2.211 40 0 EEABRN O=C(N1CCCC1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161370 463192199 /nfs/dbraw/zinc/19/21/99/463192199.db2.gz MKYCHVKHMODAIE-INIZCTEOSA-N 0 0 327.428 2.198 40 0 EEABRN Cc1noc(C)c1CN1C[C@H](OCc2ccccn2)[C@H]2COC[C@H]21 ZINC000096185105 463196471 /nfs/dbraw/zinc/19/64/71/463196471.db2.gz NMRXAXYMSHIEQU-KSZLIROESA-N 0 0 329.400 2.102 40 0 EEABRN Cc1nc(C)n(C[C@H]2Cn3ccnc3CN(Cc3cccs3)C2)n1 ZINC000096188701 463200010 /nfs/dbraw/zinc/20/00/10/463200010.db2.gz MNYMMWCRQKZEAQ-OAHLLOKOSA-N 0 0 342.472 2.485 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC000096188087 463200069 /nfs/dbraw/zinc/20/00/69/463200069.db2.gz WIAYSRKVPOVCFK-KRWDZBQOSA-N 0 0 340.427 2.253 40 0 EEABRN O=C(Cc1ccsc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096188578 463200702 /nfs/dbraw/zinc/20/07/02/463200702.db2.gz VQTKZEIJLZZPFO-OAHLLOKOSA-N 0 0 341.440 2.042 40 0 EEABRN Cn1ccnc1CN1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC000096199640 463204156 /nfs/dbraw/zinc/20/41/56/463204156.db2.gz UEFKZRBKISIRJY-QGZVFWFLSA-N 0 0 338.455 2.401 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cnoc2C)Cc2cn(CC3CC3)nc21 ZINC000096198162 463204727 /nfs/dbraw/zinc/20/47/27/463204727.db2.gz KMWIHJCEGDUEJM-OAHLLOKOSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)o1 ZINC000096199948 463206304 /nfs/dbraw/zinc/20/63/04/463206304.db2.gz JCWWKNYANRKFPF-OAHLLOKOSA-N 0 0 339.395 2.262 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096201746 463207564 /nfs/dbraw/zinc/20/75/64/463207564.db2.gz QMFHHQGXQSIORK-BFUOFWGJSA-N 0 0 339.395 2.498 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000096222960 463219849 /nfs/dbraw/zinc/21/98/49/463219849.db2.gz XKVRTNGKASVECV-BEFAXECRSA-N 0 0 340.427 2.296 40 0 EEABRN c1cc(CN2CCCn3nnc(CNc4ncccn4)c3C2)cs1 ZINC000096259497 463230074 /nfs/dbraw/zinc/23/00/74/463230074.db2.gz PHWRJXVHGAQDEK-UHFFFAOYSA-N 0 0 341.444 2.148 40 0 EEABRN O=C(c1ccccc1)N1CCCn2c(CN3CCCCC3)nnc2C1 ZINC000096259677 463230140 /nfs/dbraw/zinc/23/01/40/463230140.db2.gz FVPYZPUCSPCZLE-UHFFFAOYSA-N 0 0 339.443 2.310 40 0 EEABRN c1csc(CN2CCn3c(COc4ccccn4)nnc3C2)c1 ZINC000096259039 463230265 /nfs/dbraw/zinc/23/02/65/463230265.db2.gz IXGITYHGXQRXOY-UHFFFAOYSA-N 0 0 327.413 2.329 40 0 EEABRN COc1cc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C=O)ccc1O ZINC000096316363 463235319 /nfs/dbraw/zinc/23/53/19/463235319.db2.gz CYFNRRXJGQEHKV-OAHLLOKOSA-N 0 0 343.379 2.413 40 0 biogenic,in-vitro EEABRN Cc1cc(C)c(C(=O)NCc2ccnc(OCC3CC3)c2)c(=O)[nH]1 ZINC000096409906 463243017 /nfs/dbraw/zinc/24/30/17/463243017.db2.gz UHMJUXDWHVDINR-UHFFFAOYSA-N 0 0 327.384 2.106 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@H]1CCCCN1Cc1cccnc1 ZINC000096411709 463245300 /nfs/dbraw/zinc/24/53/00/463245300.db2.gz GSFCVURKQCYLTE-OAHLLOKOSA-N 0 0 336.399 2.118 40 0 EEABRN Cc1cccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)n1 ZINC000096414540 463246777 /nfs/dbraw/zinc/24/67/77/463246777.db2.gz LQKUZOUXTJYJKH-UHFFFAOYSA-N 0 0 325.294 2.041 40 0 EEABRN CSC[C@](C)(O)CNC(=O)Cc1ccc(Br)cc1 ZINC000096414691 463247296 /nfs/dbraw/zinc/24/72/96/463247296.db2.gz LEFGAKOSSPEZSK-CYBMUJFWSA-N 0 0 332.263 2.222 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1(C)C ZINC000096416142 463248172 /nfs/dbraw/zinc/24/81/72/463248172.db2.gz QODXACQFSJUUEY-STQMWFEESA-N 0 0 326.343 2.223 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H]1CCN(C)C1=O ZINC000096415512 463248295 /nfs/dbraw/zinc/24/82/95/463248295.db2.gz GPELQWWILPLEKD-GWCFXTLKSA-N 0 0 343.349 2.166 40 0 EEABRN CCCC(O)(CCC)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000096416112 463248424 /nfs/dbraw/zinc/24/84/24/463248424.db2.gz QNJPUXVFZBCJFQ-UHFFFAOYSA-N 0 0 346.349 2.490 40 0 EEABRN Cc1cc(N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n2ncnc2n1 ZINC000096417335 463249040 /nfs/dbraw/zinc/24/90/40/463249040.db2.gz CVSZEBAUDTZHSC-ZDUSSCGKSA-N 0 0 342.790 2.304 40 0 EEABRN NC(=O)[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417566 463249048 /nfs/dbraw/zinc/24/90/48/463249048.db2.gz MXGZOCODQINMMG-HOTGVXAUSA-N 0 0 343.814 2.262 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(OC2CCOCC2)CC1 ZINC000096417445 463249630 /nfs/dbraw/zinc/24/96/30/463249630.db2.gz LZGMHMNUDQMZCY-CRAIPNDOSA-N 0 0 338.492 2.341 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000096419952 463252138 /nfs/dbraw/zinc/25/21/38/463252138.db2.gz UAEYWZXHLCGGAZ-OLZOCXBDSA-N 0 0 338.370 2.414 40 0 EEABRN COC(=O)NCC(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC000096423495 463253769 /nfs/dbraw/zinc/25/37/69/463253769.db2.gz GYJPVKXMZPREHG-UHFFFAOYSA-N 0 0 343.221 2.242 40 0 EEABRN O=C(NCCCCn1ccnc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096426513 463256073 /nfs/dbraw/zinc/25/60/73/463256073.db2.gz ZWIYOKRVUCYAGV-CVEARBPZSA-N 0 0 341.411 2.354 40 0 EEABRN CC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000096426659 463256222 /nfs/dbraw/zinc/25/62/22/463256222.db2.gz MEUQMKSMPQQMNN-QGZVFWFLSA-N 0 0 346.452 2.459 40 0 EEABRN C[C@](O)(CNC(=O)c1ccccc1N1CCOCC1)c1cccs1 ZINC000096444457 463270008 /nfs/dbraw/zinc/27/00/08/463270008.db2.gz JDRFGSMVQNEDQK-SFHVURJKSA-N 0 0 346.452 2.222 40 0 EEABRN COC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000096451359 463273072 /nfs/dbraw/zinc/27/30/72/463273072.db2.gz VWIRDSSNHIGTTG-CQSZACIVSA-N 0 0 342.233 2.256 40 0 EEABRN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCOC1 ZINC000096483724 463282253 /nfs/dbraw/zinc/28/22/53/463282253.db2.gz RQSQQQQXRDXPKH-MFKMUULPSA-N 0 0 327.222 2.468 40 0 EEABRN COc1cc(OC)cc(N2CCC(NC(=O)c3cccn3C)CC2)c1 ZINC000096454575 463274140 /nfs/dbraw/zinc/27/41/40/463274140.db2.gz HPTLQGNUGHFNSY-UHFFFAOYSA-N 0 0 343.427 2.441 40 0 EEABRN Cc1ccc(CC(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cn1 ZINC000096454825 463274402 /nfs/dbraw/zinc/27/44/02/463274402.db2.gz UEGCBPJCNMAKEE-KRWDZBQOSA-N 0 0 331.803 2.103 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)N1CCN(C)c2ccc(F)cc21 ZINC000096466819 463278132 /nfs/dbraw/zinc/27/81/32/463278132.db2.gz OPELGCNFEBEEJD-UHFFFAOYSA-N 0 0 332.379 2.038 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)NCCc1ccccc1Cl ZINC000096474800 463280031 /nfs/dbraw/zinc/28/00/31/463280031.db2.gz STDGOJNPYVUNDB-NSHDSACASA-N 0 0 332.853 2.005 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)o1 ZINC000096485014 463283444 /nfs/dbraw/zinc/28/34/44/463283444.db2.gz OUKHDCIGEXTMNI-UKRRQHHQSA-N 0 0 331.347 2.132 40 0 EEABRN CCc1ncnc(NCc2cc(F)ccc2CS(C)(=O)=O)c1F ZINC000096489028 463285262 /nfs/dbraw/zinc/28/52/62/463285262.db2.gz CZSCYVADDULEDS-UHFFFAOYSA-N 0 0 341.383 2.474 40 0 EEABRN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1 ZINC000096493290 463287814 /nfs/dbraw/zinc/28/78/14/463287814.db2.gz MPGADRLGWPETJB-JKSUJKDBSA-N 0 0 340.370 2.209 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1F ZINC000030289524 463292452 /nfs/dbraw/zinc/29/24/52/463292452.db2.gz CJZXMABYSODZLX-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000096503183 463292422 /nfs/dbraw/zinc/29/24/22/463292422.db2.gz BPTRUIUPCFFRGL-GJZGRUSLSA-N 0 0 334.489 2.365 40 0 EEABRN CCS(=O)(=O)[C@](C)(Br)[C@@H](O)c1cccc(F)c1 ZINC000096521401 463293565 /nfs/dbraw/zinc/29/35/65/463293565.db2.gz ZCVWERPWQZECQY-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN O=C1[C@@H](Nc2cnn(CC(F)(F)F)c2)CCN1CC(F)(F)F ZINC000097102893 463323915 /nfs/dbraw/zinc/32/39/15/463323915.db2.gz CJHVTTJAYHIFQB-QMMMGPOBSA-N 0 0 330.232 2.021 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnn(CC(C)C)c1 ZINC000097237641 463352975 /nfs/dbraw/zinc/35/29/75/463352975.db2.gz FHIUOWFFMSCWJP-INIZCTEOSA-N 0 0 327.384 2.284 40 0 EEABRN c1ccc(CN2CCN(Cc3nnnn3C3CCCC3)CC2)cc1 ZINC000035310875 463430763 /nfs/dbraw/zinc/43/07/63/463430763.db2.gz QRAZCCHZGWAXBQ-UHFFFAOYSA-N 0 0 326.448 2.106 40 0 EEABRN COc1cccc(/C(C)=C/C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000081571308 463462444 /nfs/dbraw/zinc/46/24/44/463462444.db2.gz YOVPOCYTCLUAAQ-XAVZPLJISA-N 0 0 344.455 2.422 40 0 EEABRN COC(=O)c1ccc(C(=O)NC2(c3noc(C)n3)CCCC2)s1 ZINC000072012609 463479919 /nfs/dbraw/zinc/47/99/19/463479919.db2.gz HTCKDNUPYOFCOU-UHFFFAOYSA-N 0 0 335.385 2.425 40 0 EEABRN COc1cccc(CNC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 ZINC000058894208 463629583 /nfs/dbraw/zinc/62/95/83/463629583.db2.gz DWSDYVXKAPNXNM-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C)Cc1cccc(F)c1 ZINC000073891330 463666658 /nfs/dbraw/zinc/66/66/58/463666658.db2.gz ZVILMXKGFLRFCN-QWHCGFSZSA-N 0 0 327.421 2.040 40 0 EEABRN CCc1cc2c(ncn(CC(=O)N(C)Cc3ccco3)c2=O)s1 ZINC000044870435 463696956 /nfs/dbraw/zinc/69/69/56/463696956.db2.gz MPNYXYVDOMVTEY-UHFFFAOYSA-N 0 0 331.397 2.272 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC)c2OC)C1 ZINC000044868129 463696976 /nfs/dbraw/zinc/69/69/76/463696976.db2.gz MEXSQVIHXUKNBV-HNNXBMFYSA-N 0 0 349.427 2.438 40 0 EEABRN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000044874870 463697903 /nfs/dbraw/zinc/69/79/03/463697903.db2.gz BVIPUPHSARGUAT-KBPBESRZSA-N 0 0 336.457 2.345 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)n1 ZINC000257228339 463756337 /nfs/dbraw/zinc/75/63/37/463756337.db2.gz FTLHFRUTAQFBIF-OAHLLOKOSA-N 0 0 325.368 2.094 40 0 EEABRN CN(C)c1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257292496 463764652 /nfs/dbraw/zinc/76/46/52/463764652.db2.gz QLUAOGZCWWZPTJ-OAHLLOKOSA-N 0 0 331.441 2.352 40 0 EEABRN COc1ccc(OCC(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257292869 463766487 /nfs/dbraw/zinc/76/64/87/463766487.db2.gz QNGQCXCTHCEJKU-CQSZACIVSA-N 0 0 329.400 2.278 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257297016 463767363 /nfs/dbraw/zinc/76/73/63/463767363.db2.gz RFKCSCFUPKGQAE-INIZCTEOSA-N 0 0 341.459 2.448 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 ZINC000257296186 463767405 /nfs/dbraw/zinc/76/74/05/463767405.db2.gz RBPQEYPATNLVEY-INIZCTEOSA-N 0 0 348.410 2.304 40 0 EEABRN CN(C)Cc1cncc([C@@H]2CCCN2C(=O)CCc2cccnc2)n1 ZINC000257300356 463769043 /nfs/dbraw/zinc/76/90/43/463769043.db2.gz RTYPDWBOOUOGKO-SFHVURJKSA-N 0 0 339.443 2.230 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 ZINC000257301488 463769094 /nfs/dbraw/zinc/76/90/94/463769094.db2.gz RYQMSSVZRFGTGB-MRXNPFEDSA-N 0 0 344.415 2.261 40 0 EEABRN CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)[C@H]1O ZINC000257299282 463769352 /nfs/dbraw/zinc/76/93/52/463769352.db2.gz RPKJCFHBOXGCKO-IIAWOOMASA-N 0 0 347.415 2.230 40 0 EEABRN CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1 ZINC000257306097 463770440 /nfs/dbraw/zinc/77/04/40/463770440.db2.gz SSXHDWPGPRCROK-GOSISDBHSA-N 0 0 346.381 2.334 40 0 EEABRN Cc1nc(C[C@H]2CCCN(c3ccccn3)C2)cc(C(=O)N(C)C)n1 ZINC000257310474 463772436 /nfs/dbraw/zinc/77/24/36/463772436.db2.gz UFEVNPQYVQEBMZ-OAHLLOKOSA-N 0 0 339.443 2.341 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)n1 ZINC000257310965 463773990 /nfs/dbraw/zinc/77/39/90/463773990.db2.gz UHJGXJWEQOAVKT-MRXNPFEDSA-N 0 0 327.432 2.406 40 0 EEABRN CCCn1ccnc1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257325721 463778468 /nfs/dbraw/zinc/77/84/68/463778468.db2.gz WUDKGEAINRPGAC-INIZCTEOSA-N 0 0 329.448 2.328 40 0 EEABRN CC(C)n1nccc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257323503 463778579 /nfs/dbraw/zinc/77/85/79/463778579.db2.gz WKLVFPYTNAIXHX-MRXNPFEDSA-N 0 0 343.431 2.139 40 0 EEABRN O=C(c1cnc2ccccc2c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257344332 463787743 /nfs/dbraw/zinc/78/77/43/463787743.db2.gz ZWSSEMFIVOLYRN-RTBURBONSA-N 0 0 334.375 2.499 40 0 EEABRN C[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ncon1 ZINC000194532799 463878854 /nfs/dbraw/zinc/87/88/54/463878854.db2.gz AJRHFDNYZYSBIX-WRWORJQWSA-N 0 0 338.161 2.013 40 0 EEABRN CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@H](C)[S@@]1=O ZINC000287360663 463879662 /nfs/dbraw/zinc/87/96/62/463879662.db2.gz NSYCJTBOOFEYGD-MNPDGNRJSA-N 0 0 333.409 2.165 40 0 EEABRN CC(C)n1ncc2cc(C(=O)N3CCc4cc[nH]c(=O)c4C3)cnc21 ZINC000277182213 463901776 /nfs/dbraw/zinc/90/17/76/463901776.db2.gz CIEMHZIXPSVGHR-UHFFFAOYSA-N 0 0 337.383 2.311 40 0 EEABRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000195535645 464073509 /nfs/dbraw/zinc/07/35/09/464073509.db2.gz USOLSTYBERENAU-HFXCSBFXSA-N 0 0 348.419 2.350 40 0 EEABRN C[C@H](NC(=O)CCc1ccc(O)cc1)C(=O)N1CCc2ccccc21 ZINC000195562995 464077897 /nfs/dbraw/zinc/07/78/97/464077897.db2.gz FUACUKFKLZEWLF-AWEZNQCLSA-N 0 0 338.407 2.419 40 0 EEABRN O=C1CN(c2nnc(C(F)(F)F)s2)CCN1CC1CCCC1 ZINC000195568615 464079192 /nfs/dbraw/zinc/07/91/92/464079192.db2.gz YQNRTLHWTVDVTN-UHFFFAOYSA-N 0 0 334.367 2.396 40 0 EEABRN COC[C@H](C)S(=O)(=O)NC1CCN(c2cc(C)ccc2F)CC1 ZINC000195576919 464080643 /nfs/dbraw/zinc/08/06/43/464080643.db2.gz LNJBZADYHVLLRE-ZDUSSCGKSA-N 0 0 344.452 2.057 40 0 EEABRN COC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218605399 464108947 /nfs/dbraw/zinc/10/89/47/464108947.db2.gz WPOTWRTXDKCUDH-IKGGRYGDSA-N 0 0 335.400 2.109 40 0 EEABRN Cc1cc(N2CCN(C(=O)NC3CCC(OC(C)C)CC3)CC2)n[nH]1 ZINC000187332298 464117528 /nfs/dbraw/zinc/11/75/28/464117528.db2.gz PVPBDBRTHLVZAE-UHFFFAOYSA-N 0 0 349.479 2.286 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCCOC(C)C ZINC000222900867 464134844 /nfs/dbraw/zinc/13/48/44/464134844.db2.gz OIWPMQLXDXGNFT-AWEZNQCLSA-N 0 0 338.423 2.494 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000223275164 464139057 /nfs/dbraw/zinc/13/90/57/464139057.db2.gz GFLKGOUCTNZXKD-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN OC[C@@H]1C[C@H](O)CN1Cc1cc(Br)c(Cl)s1 ZINC000225395837 464156742 /nfs/dbraw/zinc/15/67/42/464156742.db2.gz JUHOGZYZSPUFGL-BQBZGAKWSA-N 0 0 326.643 2.092 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCN(c2nccs2)CC1 ZINC000225555113 464171252 /nfs/dbraw/zinc/17/12/52/464171252.db2.gz LZQQGCHFZCJQLR-UHFFFAOYSA-N 0 0 340.811 2.480 40 0 EEABRN COC[C@@H]1CN(C(=O)[C@](C)(O)CCc2ccccc2)CC(C)(C)O1 ZINC000285081780 464449125 /nfs/dbraw/zinc/44/91/25/464449125.db2.gz PSJIQJTYHRSVMF-QFBILLFUSA-N 0 0 335.444 2.023 40 0 EEABRN NS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)ccn1 ZINC000241634589 464454876 /nfs/dbraw/zinc/45/48/76/464454876.db2.gz PNQWGCFMVZSYLG-OAHLLOKOSA-N 0 0 345.424 2.096 40 0 EEABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O ZINC000243866839 464459516 /nfs/dbraw/zinc/45/95/16/464459516.db2.gz RKNKZSTWMUPGKO-STQMWFEESA-N 0 0 336.819 2.297 40 0 EEABRN CC(C)CCc1noc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)n1 ZINC000245338745 464471456 /nfs/dbraw/zinc/47/14/56/464471456.db2.gz OHAAOJBCZMEXMR-UONOGXRCSA-N 0 0 343.493 2.446 40 0 EEABRN COC(=O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000175981354 464672459 /nfs/dbraw/zinc/67/24/59/464672459.db2.gz VGJGCLUYZFCPKX-UHFFFAOYSA-N 0 0 334.597 2.324 40 0 EEABRN O=C(C[C@H]1CN(C2CCCC2)Cc2ccnn21)NCC1CCOCC1 ZINC000247807562 464707384 /nfs/dbraw/zinc/70/73/84/464707384.db2.gz CGETWLVLVFXZQS-SFHVURJKSA-N 0 0 346.475 2.115 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000248018514 464723626 /nfs/dbraw/zinc/72/36/26/464723626.db2.gz LEFZAQQCHLGNBP-AWEZNQCLSA-N 0 0 345.424 2.466 40 0 EEABRN Cn1ccnc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248138978 464734127 /nfs/dbraw/zinc/73/41/27/464734127.db2.gz PPKNSRQIXOFBHT-GRDNDAEWSA-N 0 0 348.472 2.073 40 0 EEABRN COCC[C@@H](CO)NC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000252503949 464972676 /nfs/dbraw/zinc/97/26/76/464972676.db2.gz VHKKGSGPBQVVAA-BLZCZZARSA-N 0 0 326.824 2.283 40 0 EEABRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2([NH3+])CO)cc1 ZINC000252515260 464977591 /nfs/dbraw/zinc/97/75/91/464977591.db2.gz IBHHJVMXTWSBIE-QRVBRYPASA-N 0 0 345.464 2.187 40 0 EEABRN O=C1[C@H](Nc2ncncc2Br)CCCN1c1cccnc1 ZINC000253427192 465011053 /nfs/dbraw/zinc/01/10/53/465011053.db2.gz XINVMZYDDGSVBD-GFCCVEGCSA-N 0 0 348.204 2.242 40 0 EEABRN COCc1nc2n(n1)C[C@@H](NC(=O)c1scc(C)c1Cl)CC2 ZINC000253428772 465012096 /nfs/dbraw/zinc/01/20/96/465012096.db2.gz DZSFYGYAVCKGJC-VIFPVBQESA-N 0 0 340.836 2.193 40 0 EEABRN O=C(N[C@H]1CCn2nccc2C1)C1(c2ccccc2)CCOCC1 ZINC000253473743 465016370 /nfs/dbraw/zinc/01/63/70/465016370.db2.gz YBROFLUXFNNALK-INIZCTEOSA-N 0 0 325.412 2.063 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000298355028 465373373 /nfs/dbraw/zinc/37/33/73/465373373.db2.gz OTIBQXUJFSILLJ-UGSOOPFHSA-N 0 0 339.395 2.411 40 0 EEABRN C[C@H](C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330780960 465801536 /nfs/dbraw/zinc/80/15/36/465801536.db2.gz FKJBTWACKOKINF-MNOVXSKESA-N 0 0 347.839 2.446 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCc2cc(F)ccc21)n1nnnc1C(C)(C)C ZINC000331690843 466200299 /nfs/dbraw/zinc/20/02/99/466200299.db2.gz XBAZYDRAQZXMTN-HZMBPMFUSA-N 0 0 331.395 2.474 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000331738469 466225593 /nfs/dbraw/zinc/22/55/93/466225593.db2.gz UXDDDZIAPFXGBD-DVOMOZLQSA-N 0 0 336.457 2.343 40 0 EEABRN CC(=O)N1CCCN(C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000332288488 466488846 /nfs/dbraw/zinc/48/88/46/466488846.db2.gz FPIIMSXJAHCIER-UHFFFAOYSA-N 0 0 332.448 2.143 40 0 EEABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)cc1 ZINC000408536260 466680363 /nfs/dbraw/zinc/68/03/63/466680363.db2.gz YXUDQPHDSYQHMY-ZDUSSCGKSA-N 0 0 342.461 2.059 40 0 EEABRN COC(=O)c1cc(OC(=O)c2ccc(Br)cc2)nn1C ZINC000408560954 466681040 /nfs/dbraw/zinc/68/10/40/466681040.db2.gz GBTAIGUSWJGHFN-UHFFFAOYSA-N 0 0 339.145 2.188 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 ZINC000408550452 466681452 /nfs/dbraw/zinc/68/14/52/466681452.db2.gz CGBQSWQLCLZNOZ-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000408551450 466681558 /nfs/dbraw/zinc/68/15/58/466681558.db2.gz HWYMVWSKDRKXSZ-UHFFFAOYSA-N 0 0 349.749 2.173 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390829866 467412374 /nfs/dbraw/zinc/41/23/74/467412374.db2.gz HDQMJVSOPPIIMF-HNNXBMFYSA-N 0 0 337.372 2.421 40 0 EEABRN O=C(c1ccncc1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831524 467413561 /nfs/dbraw/zinc/41/35/61/467413561.db2.gz SINRUFIKGFQCCM-MRXNPFEDSA-N 0 0 330.409 2.084 40 0 EEABRN CCO[C@H]1CSC2(CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000575404679 468141913 /nfs/dbraw/zinc/14/19/13/468141913.db2.gz UGEPBGZBZQMOJB-CYBMUJFWSA-N 0 0 327.471 2.280 40 0 EEABRN CC(=O)N1CCC(C(=O)NCc2cncc(-c3ccco3)c2)CC1 ZINC000575606909 468146692 /nfs/dbraw/zinc/14/66/92/468146692.db2.gz HBAIQYVMMGRXFW-UHFFFAOYSA-N 0 0 327.384 2.216 40 0 EEABRN COC[C@H](NS(=O)(=O)c1cnc(C)s1)c1cccc(OC)c1 ZINC000585091983 468962254 /nfs/dbraw/zinc/96/22/54/468962254.db2.gz YVWCRSMDWAIDNW-ZDUSSCGKSA-N 0 0 342.442 2.126 40 0 EEABRN C[C@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1 ZINC000585096834 468964341 /nfs/dbraw/zinc/96/43/41/468964341.db2.gz DNKZVEQRZPDEQJ-NSHDSACASA-N 0 0 345.378 2.095 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@@H]2C ZINC000585097952 468967332 /nfs/dbraw/zinc/96/73/32/468967332.db2.gz PQUBYZHKBVAHPE-CYBMUJFWSA-N 0 0 331.391 2.357 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C ZINC000585098228 468967626 /nfs/dbraw/zinc/96/76/26/468967626.db2.gz SJOYPXBMWOTAGH-XJKCOSOUSA-N 0 0 344.459 2.044 40 0 EEABRN COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000585101756 468968216 /nfs/dbraw/zinc/96/82/16/468968216.db2.gz DVQHMVCIIFBNLR-KRWDZBQOSA-N 0 0 338.835 2.373 40 0 EEABRN O=C(c1ccccc1)N1CCC2(CO[C@@H](CN3CCOCC3)C2)CC1 ZINC000585104893 468971915 /nfs/dbraw/zinc/97/19/15/468971915.db2.gz WFFDIFKAVQYUMP-GOSISDBHSA-N 0 0 344.455 2.030 40 0 EEABRN CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1=O ZINC000585106727 468972379 /nfs/dbraw/zinc/97/23/79/468972379.db2.gz GQOGJYRHTQWCKF-CRAIPNDOSA-N 0 0 330.403 2.353 40 0 EEABRN CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)C3(F)CCC3)C2)C1=O ZINC000585106730 468972538 /nfs/dbraw/zinc/97/25/38/468972538.db2.gz GQOGJYRHTQWCKF-YJBOKZPZSA-N 0 0 330.403 2.353 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585272580 468998743 /nfs/dbraw/zinc/99/87/43/468998743.db2.gz NVPHPQNLLQQCAY-HXUWFJFHSA-N 0 0 343.398 2.201 40 0 EEABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)c2ccc(C)nn2)C1 ZINC000585275768 469000869 /nfs/dbraw/zinc/00/08/69/469000869.db2.gz FCMCYGZYJFEGQA-LJQANCHMSA-N 0 0 341.411 2.404 40 0 EEABRN CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000585277271 469002092 /nfs/dbraw/zinc/00/20/92/469002092.db2.gz LRADWEVFCJRILK-SFHVURJKSA-N 0 0 336.407 2.282 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@](CO)(Cc3cccc(C)c3)C2)[nH]1 ZINC000585278930 469004194 /nfs/dbraw/zinc/00/41/94/469004194.db2.gz WWSIIAPZSYLACW-HXUWFJFHSA-N 0 0 343.471 2.395 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3ccncn3)[C@H]2O)c1 ZINC000585287032 469009194 /nfs/dbraw/zinc/00/91/94/469009194.db2.gz RBQLQCWNBIYJAW-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN Cn1cccc1C(=O)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585286535 469009448 /nfs/dbraw/zinc/00/94/48/469009448.db2.gz ZKPMKRWMGWGILZ-CSMYWGQOSA-N 0 0 332.375 2.113 40 0 EEABRN Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000243083497 485536200 /nfs/dbraw/zinc/53/62/00/485536200.db2.gz ISCUYODIQPGPNI-UHFFFAOYSA-N 0 0 336.388 2.360 40 0 EEABRN CC(C)(C(=O)NCCOCc1ccc(Cl)cc1)N1CCOCC1 ZINC000252508723 534334674 /nfs/dbraw/zinc/33/46/74/534334674.db2.gz XRNSJMANDGPMIN-UHFFFAOYSA-N 0 0 340.851 2.084 40 0 EEABRN Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C ZINC000187272569 534523751 /nfs/dbraw/zinc/52/37/51/534523751.db2.gz ZEVILRGSXXDCIX-AWEZNQCLSA-N 0 0 333.409 2.480 40 0 EEABRN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCc3ccccc32)c1CC ZINC000096484165 522127290 /nfs/dbraw/zinc/12/72/90/522127290.db2.gz BABXYWHWRNHROQ-QGZVFWFLSA-N 0 0 340.427 2.381 40 0 EEABRN O=C(COc1ccccc1F)N[C@H]1CCCN(c2ccccn2)C1 ZINC000130024008 534638463 /nfs/dbraw/zinc/63/84/63/534638463.db2.gz XOPQHOYHYSEDJV-AWEZNQCLSA-N 0 0 329.375 2.385 40 0 EEABRN O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)NC1CCCC1 ZINC000238950986 526478577 /nfs/dbraw/zinc/47/85/77/526478577.db2.gz WXKOVZDKFDLXFD-UHFFFAOYSA-N 0 0 340.431 2.459 40 0 EEABRN O=C(c1ccco1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096072404 526832608 /nfs/dbraw/zinc/83/26/08/526832608.db2.gz AYFUJWGZCJWFDP-QAPCUYQASA-N 0 0 328.368 2.265 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000408708544 527727263 /nfs/dbraw/zinc/72/72/63/527727263.db2.gz JVABZJPVBIXNFJ-DZGCQCFKSA-N 0 0 345.443 2.458 40 0 EEABRN CCCNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl ZINC000257233096 535105997 /nfs/dbraw/zinc/10/59/97/535105997.db2.gz GNUJZSSVTFNYEO-CJNGLKHVSA-N 0 0 338.835 2.402 40 0 EEABRN CC(C)(C)c1ccc2c(c1)N(CC(=O)N[C@@H]1CCCOC1)C(=O)CO2 ZINC000012194324 535123692 /nfs/dbraw/zinc/12/36/92/535123692.db2.gz VPAINYUWKMJVCS-CQSZACIVSA-N 0 0 346.427 2.005 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]cc2C)c1C ZINC000257229371 535828017 /nfs/dbraw/zinc/82/80/17/535828017.db2.gz FXVYGSOYHMVEBM-CYBMUJFWSA-N 0 0 337.449 2.159 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257236471 535950866 /nfs/dbraw/zinc/95/08/66/535950866.db2.gz HCJCUZUPFRCYAF-HKUYNNGSSA-N 0 0 332.444 2.457 40 0 EEABRN CCn1ccc(C(=O)N2CCC[C@]2(C)c2nc(C)cc(N(C)C)n2)n1 ZINC000257258569 536095263 /nfs/dbraw/zinc/09/52/63/536095263.db2.gz KUPHAIAKRNHBBJ-GOSISDBHSA-N 0 0 342.447 2.219 40 0 EEABRN COC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc3ccccc31)C2 ZINC000247848949 536554358 /nfs/dbraw/zinc/55/43/58/536554358.db2.gz NXPWLIOKESPNQR-QGZVFWFLSA-N 0 0 345.464 2.475 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCC(C)CC2)n1 ZINC000225899753 536892384 /nfs/dbraw/zinc/89/23/84/536892384.db2.gz FLIGMSIFZMKUIY-UHFFFAOYSA-N 0 0 343.884 2.299 40 0 EEABRN CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 ZINC001772595114 1178853280 /nfs/dbraw/zinc/85/32/80/1178853280.db2.gz ZGHHJJJGBIEXJE-FVQBIDKESA-N 0 0 344.446 2.363 40 0 EEABRN CCc1nn(C)cc1NC(=O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000930694725 1206576482 /nfs/dbraw/zinc/57/64/82/1206576482.db2.gz VRIXKXZVUDWJEK-BEFAXECRSA-N 0 0 340.427 2.414 40 0 EEABRN CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454006 1124295666 /nfs/dbraw/zinc/29/56/66/1124295666.db2.gz SQMBDUJMAHIRJP-CYBMUJFWSA-N 0 0 349.460 2.351 40 0 EEABRN CN(Cc1ccc(SC(F)F)cc1)C(=O)CSCC(N)=O ZINC000049994149 214040365 /nfs/dbraw/zinc/04/03/65/214040365.db2.gz SOABTWVDEBFAPU-UHFFFAOYSA-N 0 0 334.413 2.178 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccccc1F ZINC000057355085 214422753 /nfs/dbraw/zinc/42/27/53/214422753.db2.gz BOUUJIHMHKDMSE-JDFRZJQESA-N 0 0 334.391 2.030 40 0 EEABRN CC1(C)c2ccccc2N(CCC(=O)NCCCn2ccnc2)C1=O ZINC000057355671 214423394 /nfs/dbraw/zinc/42/33/94/214423394.db2.gz ZYJQQDRSSNDKPJ-UHFFFAOYSA-N 0 0 340.427 2.104 40 0 EEABRN Cc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000049876263 214035650 /nfs/dbraw/zinc/03/56/50/214035650.db2.gz GVPYLECNCSZBCO-HNNXBMFYSA-N 0 0 346.452 2.493 40 0 EEABRN O=C(NCCNC(=O)c1ccccc1Cl)c1[nH]nc2ccccc21 ZINC000058775258 214604196 /nfs/dbraw/zinc/60/41/96/214604196.db2.gz WVFYHOGYNCUNAY-UHFFFAOYSA-N 0 0 342.786 2.376 40 0 EEABRN CC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000156481893 529697183 /nfs/dbraw/zinc/69/71/83/529697183.db2.gz DSRDEWJCFZISLM-SMDDNHRTSA-N 0 0 330.306 2.243 40 0 EEABRN CN1C[C@H](c2cc(=O)n3nc(-c4ccc(F)cc4)cc3[nH]2)CC1=O ZINC000100775925 219106755 /nfs/dbraw/zinc/10/67/55/219106755.db2.gz VBVVRCRSVQQTKO-LLVKDONJSA-N 0 0 326.331 2.187 40 0 EEABRN CNC(=O)Cn1cc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)cn1 ZINC000187696847 529876586 /nfs/dbraw/zinc/87/65/86/529876586.db2.gz QOVTXIXHEYYMMC-AWEZNQCLSA-N 0 0 345.403 2.290 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)C2CCN(c3ccc(C)cn3)CC2)[nH]n1 ZINC000178183245 232102620 /nfs/dbraw/zinc/10/26/20/232102620.db2.gz GULGIUMWPVQGNW-AWEZNQCLSA-N 0 0 341.459 2.385 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000047180256 213835548 /nfs/dbraw/zinc/83/55/48/213835548.db2.gz KYRPFJYBFCHMGG-LLVKDONJSA-N 0 0 327.319 2.207 40 0 EEABRN COc1cccc(CNC2(Cc3cc(C(C)(C)O)on3)COC2)c1 ZINC000067897922 215245757 /nfs/dbraw/zinc/24/57/57/215245757.db2.gz RYADMSVGAKZIAX-UHFFFAOYSA-N 0 0 332.400 2.012 40 0 biogenic,in-vitro EEABRN C[C@@]1(C(=O)NCCc2ccc(F)cc2)Oc2ccccc2NC1=O ZINC000040776434 213384087 /nfs/dbraw/zinc/38/40/87/213384087.db2.gz AJKUUOXDGUXSMH-SFHVURJKSA-N 0 0 328.343 2.274 40 0 EEABRN COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccco2)N(C)C)c1C ZINC000069294843 215375937 /nfs/dbraw/zinc/37/59/37/215375937.db2.gz FWCQLFXDZXPVOR-GFCCVEGCSA-N 0 0 333.388 2.044 40 0 EEABRN O=C(NCCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1 ZINC000040542292 213345021 /nfs/dbraw/zinc/34/50/21/213345021.db2.gz KBZJXUSNJGFCBE-UHFFFAOYSA-N 0 0 346.770 2.366 40 0 EEABRN CCC[C@@H]1NC(=O)N(CC(=O)N(C)Cc2cccc(Cl)c2)C1=O ZINC000040490295 213319252 /nfs/dbraw/zinc/31/92/52/213319252.db2.gz UMMAFDNOWFLQFB-ZDUSSCGKSA-N 0 0 337.807 2.019 40 0 EEABRN O=C(Nc1ccc(F)c(N2CCOCC2)c1)c1cnn(C2CC2)c1 ZINC000585123894 539980695 /nfs/dbraw/zinc/98/06/95/539980695.db2.gz LHYZKDINKOQHKM-UHFFFAOYSA-N 0 0 330.363 2.446 40 0 EEABRN COc1ccccc1CNC(=O)[C@@H](C)n1cc2c(n1)C(=O)CCC2 ZINC000585123162 539980737 /nfs/dbraw/zinc/98/07/37/539980737.db2.gz YQFJGGINKXQOMA-GFCCVEGCSA-N 0 0 327.384 2.288 40 0 EEABRN O=C(NCCOc1cc(N2CCCC2)ncn1)c1ccc(F)cc1F ZINC000038520820 213213891 /nfs/dbraw/zinc/21/38/91/213213891.db2.gz HUXWGIOIHFTFCG-UHFFFAOYSA-N 0 0 348.353 2.164 40 0 EEABRN Cc1coc2ccc(NC(=O)NCCS(=O)(=O)NC(C)C)cc12 ZINC000187935870 236348143 /nfs/dbraw/zinc/34/81/43/236348143.db2.gz NTQSHQKYIZRLIG-UHFFFAOYSA-N 0 0 339.417 2.191 40 0 EEABRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000071195912 215744074 /nfs/dbraw/zinc/74/40/74/215744074.db2.gz WCJKVLSFMGEHDA-MEBBXXQBSA-N 0 0 333.823 2.465 40 0 EEABRN Cn1c2ccc(F)cc2c2nnc(SCC(=O)N3CCCC3)nc21 ZINC000035314411 213020923 /nfs/dbraw/zinc/02/09/23/213020923.db2.gz LFRAVMNBJNACDS-UHFFFAOYSA-N 0 0 345.403 2.370 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000079042372 236992130 /nfs/dbraw/zinc/99/21/30/236992130.db2.gz RPZKLBQRFCSSMJ-RYUDHWBXSA-N 0 0 347.864 2.389 40 0 EEABRN CCC[C@@H](C)OC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 ZINC000031924571 212761491 /nfs/dbraw/zinc/76/14/91/212761491.db2.gz RKNXEOGZGUELAW-CQSZACIVSA-N 0 0 334.416 2.303 40 0 EEABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2-n2cnnc2)CC1 ZINC000072230182 216070916 /nfs/dbraw/zinc/07/09/16/216070916.db2.gz BSJMNBLZDJUGLB-UHFFFAOYSA-N 0 0 333.823 2.225 40 0 EEABRN CC[S@@](=O)CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000072284367 216114127 /nfs/dbraw/zinc/11/41/27/216114127.db2.gz QRZWOYWFFUSXQY-FQEVSTJZSA-N 0 0 347.355 2.300 40 0 EEABRN Cc1nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)ncc1C(N)=O ZINC000072345566 216159518 /nfs/dbraw/zinc/15/95/18/216159518.db2.gz SNKHFEFULDAJGK-AWEZNQCLSA-N 0 0 330.432 2.170 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)CCc2ccccc2)ncc1C(N)=O ZINC000072345404 216159560 /nfs/dbraw/zinc/15/95/60/216159560.db2.gz OWAIVVYLWPHSLM-MRXNPFEDSA-N 0 0 338.411 2.180 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2cnc(C(=O)N3CCC(C)CC3)cn2)C1 ZINC000072365895 216171073 /nfs/dbraw/zinc/17/10/73/216171073.db2.gz VLKAMUCFAHVXCC-MRXNPFEDSA-N 0 0 344.459 2.150 40 0 EEABRN CC(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 ZINC000072361779 216167986 /nfs/dbraw/zinc/16/79/86/216167986.db2.gz YBNNZEGOVIYRBG-CQSZACIVSA-N 0 0 326.404 2.353 40 0 EEABRN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)c1 ZINC000072361827 216168758 /nfs/dbraw/zinc/16/87/58/216168758.db2.gz HCLFXIKCQFLFGC-CQSZACIVSA-N 0 0 326.400 2.242 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1C(=O)Cc1cccc(F)c1 ZINC000072369257 216176212 /nfs/dbraw/zinc/17/62/12/216176212.db2.gz VKCGSZPLVSNGKH-OAHLLOKOSA-N 0 0 344.390 2.157 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377768 216178879 /nfs/dbraw/zinc/17/88/79/216178879.db2.gz NESWDJUUZFEKQI-OAHLLOKOSA-N 0 0 347.382 2.383 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2c2ncccn2)n1 ZINC000072379606 216181955 /nfs/dbraw/zinc/18/19/55/216181955.db2.gz XKTVMYNDHZMKAQ-OAHLLOKOSA-N 0 0 347.382 2.255 40 0 EEABRN Cc1cccc(Nc2cc([C@@H]3CCCCN3CC(N)=O)nc(C)n2)n1 ZINC000072384651 216185734 /nfs/dbraw/zinc/18/57/34/216185734.db2.gz UTMHHAILZIRMNM-HNNXBMFYSA-N 0 0 340.431 2.244 40 0 EEABRN Cc1nc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)cc(N(C)C)n1 ZINC000072387848 216188079 /nfs/dbraw/zinc/18/80/79/216188079.db2.gz KDPWJZXTVGODGA-MRXNPFEDSA-N 0 0 344.390 2.204 40 0 EEABRN Cc1cnc(C[C@@H]2COCCN(C(=O)Cc3ccccc3)C2)cn1 ZINC000072388264 216188468 /nfs/dbraw/zinc/18/84/68/216188468.db2.gz LMJQJBXPKVZPFX-KRWDZBQOSA-N 0 0 325.412 2.045 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408709626 238297321 /nfs/dbraw/zinc/29/73/21/238297321.db2.gz VNKBYONFMKXGAR-SWLSCSKDSA-N 0 0 343.427 2.212 40 0 EEABRN CC[C@@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000072528494 216269030 /nfs/dbraw/zinc/26/90/30/216269030.db2.gz ORSIBWOWUXRUBD-HIFRSBDPSA-N 0 0 336.457 2.485 40 0 EEABRN CC(=O)N[C@H](C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21)C(C)C ZINC000072527266 216269435 /nfs/dbraw/zinc/26/94/35/216269435.db2.gz WVVJIGWAEVLXHU-WMZOPIPTSA-N 0 0 340.427 2.174 40 0 EEABRN Cc1cccc2nc(CN3CCNC(=O)[C@@H]3c3cccs3)cn21 ZINC000072800226 216308152 /nfs/dbraw/zinc/30/81/52/216308152.db2.gz CAYSKXATUDYCQD-INIZCTEOSA-N 0 0 326.425 2.377 40 0 EEABRN CS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 ZINC000075003678 216544512 /nfs/dbraw/zinc/54/45/12/216544512.db2.gz MITMPFWSMHLNAV-UHFFFAOYSA-N 0 0 335.400 2.131 40 0 EEABRN CC(=O)c1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000022624217 212312243 /nfs/dbraw/zinc/31/22/43/212312243.db2.gz DKQGEMPASBLCAP-UHFFFAOYSA-N 0 0 346.408 2.108 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000193497113 240186537 /nfs/dbraw/zinc/18/65/37/240186537.db2.gz ODWUPIQJEMBKNM-KBPBESRZSA-N 0 0 330.494 2.421 40 0 EEABRN CCC[C@]1(COC)CCCN1C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000193851512 240336757 /nfs/dbraw/zinc/33/67/57/240336757.db2.gz DDEOFJFRDUZRCM-RDTXWAMCSA-N 0 0 349.479 2.146 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218517171 241329033 /nfs/dbraw/zinc/32/90/33/241329033.db2.gz LCZAPBOJZZRJPU-OFQRWUPVSA-N 0 0 341.498 2.068 40 0 EEABRN CCOC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218006571 241289797 /nfs/dbraw/zinc/28/97/97/241289797.db2.gz IEPPZSRCQOOUGP-DGCLKSJQSA-N 0 0 333.862 2.195 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nn1 ZINC000225421907 241854312 /nfs/dbraw/zinc/85/43/12/241854312.db2.gz IFAGFISSZNGVTL-OAHLLOKOSA-N 0 0 336.395 2.489 40 0 EEABRN COc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000225477926 241883738 /nfs/dbraw/zinc/88/37/38/241883738.db2.gz ORONMZIGZLSNQX-WFASDCNBSA-N 0 0 338.363 2.309 40 0 biogenic,in-vitro EEABRN Cc1nsc2ncn(CCC(=O)Nc3cccc(F)c3)c(=O)c12 ZINC000225576636 241933885 /nfs/dbraw/zinc/93/38/85/241933885.db2.gz FHUKINHODQAJGM-UHFFFAOYSA-N 0 0 332.360 2.329 40 0 EEABRN CC1CCN(C(=O)Cn2cc(COc3ccccc3F)nn2)CC1 ZINC000227167890 242127779 /nfs/dbraw/zinc/12/77/79/242127779.db2.gz RAVLXTCOBQUVGO-UHFFFAOYSA-N 0 0 332.379 2.255 40 0 EEABRN COc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)NC(C)C ZINC000226045704 242087854 /nfs/dbraw/zinc/08/78/54/242087854.db2.gz KTRKQKCYUUVCHW-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000245344097 243104506 /nfs/dbraw/zinc/10/45/06/243104506.db2.gz XMTXBDZJOJHMKO-IOASZLSFSA-N 0 0 342.439 2.446 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 ZINC000247957510 243491430 /nfs/dbraw/zinc/49/14/30/243491430.db2.gz VZHQQBZDUYYWAC-SFHVURJKSA-N 0 0 349.471 2.403 40 0 EEABRN COCC[C@H]1CCOC2(CN(C(=O)COc3ccc(C)cc3)C2)C1 ZINC000248028511 243504573 /nfs/dbraw/zinc/50/45/73/243504573.db2.gz PBDQJEIHPWNCBD-INIZCTEOSA-N 0 0 333.428 2.418 40 0 EEABRN Cc1nnc(N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)s1 ZINC000252508377 243834179 /nfs/dbraw/zinc/83/41/79/243834179.db2.gz XMEBOKLLILGXAV-ZDUSSCGKSA-N 0 0 348.476 2.089 40 0 EEABRN Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 ZINC000253419082 243949414 /nfs/dbraw/zinc/94/94/14/243949414.db2.gz IETCLWXUNRVZCO-CQSZACIVSA-N 0 0 334.441 2.498 40 0 EEABRN Cc1ocnc1C(=O)N1CCC[C@H]1c1nc(C)ncc1CN(C)C ZINC000257206859 244137030 /nfs/dbraw/zinc/13/70/30/244137030.db2.gz BFEQGIBNWIVVKD-AWEZNQCLSA-N 0 0 329.404 2.120 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)CCCn2ccnc2)cc(N(C)C)n1 ZINC000257201584 244122133 /nfs/dbraw/zinc/12/21/33/244122133.db2.gz AIFMDPXHARLGDS-MRXNPFEDSA-N 0 0 342.447 2.191 40 0 EEABRN CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cc(F)ccc1F ZINC000257225879 244202444 /nfs/dbraw/zinc/20/24/44/244202444.db2.gz FIFMEWGZPLPYBP-SFHVURJKSA-N 0 0 346.381 2.334 40 0 EEABRN Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)s1 ZINC000257231304 244212134 /nfs/dbraw/zinc/21/21/34/244212134.db2.gz GGCPPCBKMVXRRB-QGZVFWFLSA-N 0 0 331.441 2.165 40 0 EEABRN Cc1cc(C)nc([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257237512 244233722 /nfs/dbraw/zinc/23/37/22/244233722.db2.gz HGVQOUAZWDRQHD-AWEZNQCLSA-N 0 0 339.395 2.494 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)Cc2ccc(C)s2)CCO1 ZINC000257257919 244286751 /nfs/dbraw/zinc/28/67/51/244286751.db2.gz KRQNEANOUVGQDR-CYBMUJFWSA-N 0 0 332.429 2.031 40 0 EEABRN O=C(C=Cc1ccccc1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257257659 244288480 /nfs/dbraw/zinc/28/84/80/244288480.db2.gz KQOXVDXIQYWLFX-RCMYXZNBSA-N 0 0 339.395 2.056 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2CCOc2ccccc2)n1 ZINC000257270186 244374851 /nfs/dbraw/zinc/37/48/51/244374851.db2.gz MTCHNYQXTHBDKK-INIZCTEOSA-N 0 0 328.416 2.279 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257263842 244355268 /nfs/dbraw/zinc/35/52/68/244355268.db2.gz LRSHEVDFOUDCNI-OAHLLOKOSA-N 0 0 327.432 2.209 40 0 EEABRN Cc1ncc(-c2cncc(C[C@H]3CCN(C(=O)C(C)C)C3)n2)n1C ZINC000257277690 244396972 /nfs/dbraw/zinc/39/69/72/244396972.db2.gz NYZZXLXZVFPELI-CQSZACIVSA-N 0 0 327.432 2.233 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)s1 ZINC000257315078 244499819 /nfs/dbraw/zinc/49/98/19/244499819.db2.gz UZUVRXAEBXRULP-LBPRGKRZSA-N 0 0 332.429 2.204 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)cc1 ZINC000257329899 244547193 /nfs/dbraw/zinc/54/71/93/244547193.db2.gz XLYRTPKAHDBKAP-ZDUSSCGKSA-N 0 0 333.413 2.059 40 0 EEABRN Cc1noc(C)c1-c1cccc(C(=O)NCCCn2ccnc2)n1 ZINC000257343498 244576757 /nfs/dbraw/zinc/57/67/57/244576757.db2.gz ZTGUELPBIQBYHZ-UHFFFAOYSA-N 0 0 325.372 2.370 40 0 EEABRN Cc1nn(C)c(C)c1CN(C(=O)c1ccnc(N(C)C)c1)C1CC1 ZINC000019577804 212044831 /nfs/dbraw/zinc/04/48/31/212044831.db2.gz DEMRFVRYRBNNQA-UHFFFAOYSA-N 0 0 327.432 2.303 40 0 EEABRN Cc1c(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)cnn1C ZINC000019553792 212040812 /nfs/dbraw/zinc/04/08/12/212040812.db2.gz BXIFIJURAPGTMQ-UHFFFAOYSA-N 0 0 346.406 2.350 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019462928 212031155 /nfs/dbraw/zinc/03/11/55/212031155.db2.gz HKTYCYAWUODPRJ-JQWIXIFHSA-N 0 0 344.440 2.255 40 0 EEABRN CC(C)[S@@](=O)c1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000078029494 217012670 /nfs/dbraw/zinc/01/26/70/217012670.db2.gz RKLMHBNPDBFCFX-FYSMJZIKSA-N 0 0 344.436 2.159 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](c3nc(-c4ccccn4)no3)C2)on1 ZINC000019119670 212001079 /nfs/dbraw/zinc/00/10/79/212001079.db2.gz NKVDULYUACNXPF-NSHDSACASA-N 0 0 325.328 2.058 40 0 EEABRN CCOC(=O)N1CCC(OC(=O)Cn2ncc3ccccc32)CC1 ZINC000078615495 217087929 /nfs/dbraw/zinc/08/79/29/217087929.db2.gz YGGXDSPFUASMAO-UHFFFAOYSA-N 0 0 331.372 2.200 40 0 EEABRN O=C(CN1CCCN(C(=O)CC2CCCC2)CC1)Nc1ccncc1 ZINC000078663088 217096774 /nfs/dbraw/zinc/09/67/74/217096774.db2.gz UHJMJZWKLMGPQT-UHFFFAOYSA-N 0 0 344.459 2.135 40 0 EEABRN CCOC1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078926081 217149531 /nfs/dbraw/zinc/14/95/31/217149531.db2.gz UJBNVPRHKMOODN-CYBMUJFWSA-N 0 0 341.452 2.206 40 0 EEABRN C[C@H]1CCCC[C@H]1OCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000079039183 217179935 /nfs/dbraw/zinc/17/99/35/217179935.db2.gz FCWTWXMIVJMHHN-GOEBONIOSA-N 0 0 332.448 2.157 40 0 EEABRN CC(C)CCOc1ccc(C(=O)NC2CCN(C(N)=O)CC2)cc1 ZINC000079001115 217171500 /nfs/dbraw/zinc/17/15/00/217171500.db2.gz SOJDDMJLBLENGQ-UHFFFAOYSA-N 0 0 333.432 2.384 40 0 EEABRN CCO[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000079350918 217212135 /nfs/dbraw/zinc/21/21/35/217212135.db2.gz JWIWLNQNHUSQAJ-CHWSQXEVSA-N 0 0 335.791 2.474 40 0 EEABRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000081629264 217430557 /nfs/dbraw/zinc/43/05/57/217430557.db2.gz WXJNFCGDVSVXPV-GFCCVEGCSA-N 0 0 332.379 2.462 40 0 EEABRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072633291 296220963 /nfs/dbraw/zinc/22/09/63/296220963.db2.gz TWLMMNWGNMIUPX-QWRGUYRKSA-N 0 0 341.408 2.129 40 0 EEABRN CC(C)c1noc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000266187387 248157680 /nfs/dbraw/zinc/15/76/80/248157680.db2.gz BJSKAGOEPXHMDP-UHFFFAOYSA-N 0 0 332.452 2.467 40 0 EEABRN COc1ccccc1C1(O)CCN(CCNC(=O)c2ccco2)CC1 ZINC000012326252 211348872 /nfs/dbraw/zinc/34/88/72/211348872.db2.gz XSUGZECALXBIEI-UHFFFAOYSA-N 0 0 344.411 2.002 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012222155 211323459 /nfs/dbraw/zinc/32/34/59/211323459.db2.gz GSPPSAWTGNWERR-UHFFFAOYSA-N 0 0 329.400 2.228 40 0 EEABRN O=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000012116049 211296664 /nfs/dbraw/zinc/29/66/64/211296664.db2.gz VDGQLXIJXYASHX-UHFFFAOYSA-N 0 0 344.440 2.480 40 0 EEABRN CCn1cc(C(=O)NCCc2nc(-c3ccc(C)cc3)n[nH]2)c(C)n1 ZINC000012115843 211295714 /nfs/dbraw/zinc/29/57/14/211295714.db2.gz JUAQOUKOWUGNQY-UHFFFAOYSA-N 0 0 338.415 2.277 40 0 EEABRN C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114743 211294183 /nfs/dbraw/zinc/29/41/83/211294183.db2.gz CUYPDQXPWJOJPN-NSHDSACASA-N 0 0 325.347 2.426 40 0 EEABRN COc1ccc(-c2c(C)nn3c2nc(C)cc3N(C)CCO)cc1 ZINC000012113334 211293304 /nfs/dbraw/zinc/29/33/04/211293304.db2.gz TXVDXHSCDALKLA-UHFFFAOYSA-N 0 0 326.400 2.450 40 0 EEABRN NC(=O)[C@@H]1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735747 218163486 /nfs/dbraw/zinc/16/34/86/218163486.db2.gz FXQAGYVJMGZOPV-SFHVURJKSA-N 0 0 344.386 2.091 40 0 EEABRN CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cccc4ccccc43)N2N1 ZINC000010152857 211150605 /nfs/dbraw/zinc/15/06/05/211150605.db2.gz IUJCEOFNUCNVQF-HNNXBMFYSA-N 0 0 349.394 2.094 40 0 EEABRN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1Br ZINC000093103114 218192592 /nfs/dbraw/zinc/19/25/92/218192592.db2.gz JWKRYEZGSZGOIR-PWSUYJOCSA-N 0 0 348.624 2.211 40 0 EEABRN Cc1occc1C(=O)N1CCN(C(=O)c2cc(C(C)C)nn2C)CC1 ZINC000095405808 218340881 /nfs/dbraw/zinc/34/08/81/218340881.db2.gz AZUVLBLHHMSJPR-UHFFFAOYSA-N 0 0 344.415 2.043 40 0 EEABRN COc1ncc(Cl)c(NCC(=O)N2CCc3sccc3C2)n1 ZINC000095426207 218368500 /nfs/dbraw/zinc/36/85/00/218368500.db2.gz SCVMHZNSCGIWRC-UHFFFAOYSA-N 0 0 338.820 2.197 40 0 EEABRN c1ccc2nc(N3CCCC3)c(NCc3nnc4n3CCC4)nc2c1 ZINC000095449305 218394167 /nfs/dbraw/zinc/39/41/67/218394167.db2.gz IZEWWAYSRFNLAR-UHFFFAOYSA-N 0 0 335.415 2.380 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c[nH]1 ZINC000095450890 218395338 /nfs/dbraw/zinc/39/53/38/218395338.db2.gz JPVRWPLWGFYGLC-NSHDSACASA-N 0 0 349.793 2.485 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000096181108 218642566 /nfs/dbraw/zinc/64/25/66/218642566.db2.gz FOYHSDWDBSQVHU-IUODEOHRSA-N 0 0 343.408 2.005 40 0 EEABRN O=C(c1ccco1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1 ZINC000096189134 218657307 /nfs/dbraw/zinc/65/73/07/218657307.db2.gz BYFDJCXDVIYKHN-AWEZNQCLSA-N 0 0 338.367 2.222 40 0 EEABRN Cc1cnc(N[C@@H]2CCO[C@]3(CCN(C(=O)c4ccoc4)C3)C2)nc1 ZINC000096207442 218682296 /nfs/dbraw/zinc/68/22/96/218682296.db2.gz GZJWESZVQFGWNF-CRAIPNDOSA-N 0 0 342.399 2.254 40 0 EEABRN C[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N(C)c1ccccc1 ZINC000096408937 218761933 /nfs/dbraw/zinc/76/19/33/218761933.db2.gz MVLBBXCQVAZHAN-QKFKETGDSA-N 0 0 339.505 2.358 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000096414409 218772073 /nfs/dbraw/zinc/77/20/73/218772073.db2.gz KBNJRABKTZKPID-NSHDSACASA-N 0 0 349.374 2.141 40 0 EEABRN O=C(NCCOC[C@@H]1CCCO1)NCCc1cc2ccccc2o1 ZINC000096417775 218780097 /nfs/dbraw/zinc/78/00/97/218780097.db2.gz ZINHMKUSJOMDAA-INIZCTEOSA-N 0 0 332.400 2.470 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)n1 ZINC000096439327 218818846 /nfs/dbraw/zinc/81/88/46/218818846.db2.gz VLTMNJGTDVFQHB-YPMHNXCESA-N 0 0 346.479 2.169 40 0 EEABRN C[C@H](SCC(=O)NCc1ccnn1C)c1nc2ccccc2[nH]1 ZINC000096445231 218827325 /nfs/dbraw/zinc/82/73/25/218827325.db2.gz ONDFJTPUTCLRJK-NSHDSACASA-N 0 0 329.429 2.407 40 0 EEABRN O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCCSC1 ZINC000096452358 218835733 /nfs/dbraw/zinc/83/57/33/218835733.db2.gz QLSJBLAGGHATHM-SPLOXXLWSA-N 0 0 326.487 2.130 40 0 EEABRN O=C(NCCOC1CCCC1)N1CCCN(c2ccccn2)CC1 ZINC000096502996 218880318 /nfs/dbraw/zinc/88/03/18/218880318.db2.gz STBQYQAOXFZYLF-UHFFFAOYSA-N 0 0 332.448 2.263 40 0 EEABRN CC[C@H](CSC)NC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000096490579 218868145 /nfs/dbraw/zinc/86/81/45/218868145.db2.gz KVYJKIUWEUCWIM-VXGBXAGGSA-N 0 0 326.441 2.240 40 0 EEABRN COCCc1nsc(N2CCC(c3nncn3C(C)C)CC2)n1 ZINC000096496730 218873518 /nfs/dbraw/zinc/87/35/18/218873518.db2.gz RAUCPYGPOMUOKW-UHFFFAOYSA-N 0 0 336.465 2.283 40 0 EEABRN COc1cc(C2=N/C(=C/c3ccncc3)C(=O)O2)cc(OC)c1OC ZINC000005335060 210441705 /nfs/dbraw/zinc/44/17/05/210441705.db2.gz SLNBNPRMBTWYGM-MDWZMJQESA-N 0 0 340.335 2.452 40 0 EEABRN Cc1cc(C(=O)N2CCN(Cc3cc4ccccc4o3)CC2)ncn1 ZINC000097230000 219000492 /nfs/dbraw/zinc/00/04/92/219000492.db2.gz DOQFSFGBDRYBAQ-UHFFFAOYSA-N 0 0 336.395 2.489 40 0 EEABRN COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1C(C)C ZINC000004879427 210309573 /nfs/dbraw/zinc/30/95/73/210309573.db2.gz NAQQMVPTHHSMDZ-UHFFFAOYSA-N 0 0 339.421 2.075 40 0 EEABRN CCOC(=O)c1cnc2c(cnn2C)c1NCc1c(C)noc1C ZINC000097372936 219017363 /nfs/dbraw/zinc/01/73/63/219017363.db2.gz JIYNYZDAUYESJQ-UHFFFAOYSA-N 0 0 329.360 2.362 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000187492329 533137054 /nfs/dbraw/zinc/13/70/54/533137054.db2.gz LBYUAIXHBDULPO-CYBMUJFWSA-N 0 0 343.431 2.474 40 0 EEABRN CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000274671741 256378811 /nfs/dbraw/zinc/37/88/11/256378811.db2.gz JTQKMIPOINWSLG-OAHLLOKOSA-N 0 0 341.429 2.226 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)NC2CCCC2)ccc1OC ZINC000408587397 257895575 /nfs/dbraw/zinc/89/55/75/257895575.db2.gz UTPLKHWSTCLZHX-UHFFFAOYSA-N 0 0 342.417 2.485 40 0 EEABRN O=C(NCCc1nncn1C1CC1)[C@@H]1SCCc2sccc21 ZINC000080173160 257834980 /nfs/dbraw/zinc/83/49/80/257834980.db2.gz HMLFTMMFVPEERI-CQSZACIVSA-N 0 0 334.470 2.364 40 0 EEABRN COc1c(C)ccc(NC(=O)N2CCN(c3cnn(C)c3)CC2)c1C ZINC000175705354 533403269 /nfs/dbraw/zinc/40/32/69/533403269.db2.gz ACHXFUCDEAOJGN-UHFFFAOYSA-N 0 0 343.431 2.400 40 0 EEABRN CCn1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)n1 ZINC000096181222 276715759 /nfs/dbraw/zinc/71/57/59/276715759.db2.gz CRTMGPVSTNLWAN-WMLDXEAASA-N 0 0 326.400 2.370 40 0 EEABRN CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004009147 277100193 /nfs/dbraw/zinc/10/01/93/277100193.db2.gz DBQNEWHUHBLPIW-JBLDHEPKSA-N 0 0 336.697 2.150 40 0 EEABRN CC[C@H](NS(=O)(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000055413753 288054236 /nfs/dbraw/zinc/05/42/36/288054236.db2.gz CBSGCFDRLBDQRZ-KLZNEWFBSA-N 0 0 342.505 2.148 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@@H]2CN(C(=O)c3cscn3)[C@@H]2C1 ZINC000096080597 280039103 /nfs/dbraw/zinc/03/91/03/280039103.db2.gz QHZHXNQCPHYTGO-BXUZGUMPSA-N 0 0 328.397 2.131 40 0 EEABRN C[C@@]1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCC[C@H]1O ZINC000096450853 289173021 /nfs/dbraw/zinc/17/30/21/289173021.db2.gz DVKDSKGHPOJEOR-WBMJQRKESA-N 0 0 332.429 2.271 40 0 EEABRN Cn1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)nn1 ZINC000293992830 293345082 /nfs/dbraw/zinc/34/50/82/293345082.db2.gz LQWURYVJPYCXJO-UHFFFAOYSA-N 0 0 333.823 2.210 40 0 EEABRN O=C(Nc1cn[nH]c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000298423062 294494581 /nfs/dbraw/zinc/49/45/81/294494581.db2.gz LLFTVIXHGRXKDG-UHFFFAOYSA-N 0 0 334.326 2.179 40 0 EEABRN Fc1cnc(N2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)nc1 ZINC000096158317 294773558 /nfs/dbraw/zinc/77/35/58/294773558.db2.gz IDROLZKEAWOMFD-INIZCTEOSA-N 0 0 332.358 2.042 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257344583 302477694 /nfs/dbraw/zinc/47/76/94/302477694.db2.gz ZXXPRWNTIFQIGF-MRXNPFEDSA-N 0 0 338.415 2.366 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000253395066 303492456 /nfs/dbraw/zinc/49/24/56/303492456.db2.gz IZJUGQSZFZKQRW-NWDGAFQWSA-N 0 0 330.812 2.408 40 0 EEABRN O=C(CC1CCCC1)N1CCCn2cnc(CN3CCCC3=O)c2C1 ZINC000096259397 303573669 /nfs/dbraw/zinc/57/36/69/303573669.db2.gz ZLJWJJXZLNAZBF-UHFFFAOYSA-N 0 0 344.459 2.318 40 0 EEABRN O=C(Cn1cccn1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257325092 303661384 /nfs/dbraw/zinc/66/13/84/303661384.db2.gz WRKUILOYUPZOBI-MRXNPFEDSA-N 0 0 338.411 2.082 40 0 EEABRN COc1ccc(-c2noc(C3CCC4(CC3)NC(=O)NC4=O)n2)cn1 ZINC000329235015 311660452 /nfs/dbraw/zinc/66/04/52/311660452.db2.gz NCTIHEIXCWARHA-UHFFFAOYSA-N 0 0 343.343 2.421 40 0 EEABRN Cc1nc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)c(C)s1 ZINC000332198742 311967735 /nfs/dbraw/zinc/96/77/35/311967735.db2.gz ZOBBJJFAIDVHOA-UHFFFAOYSA-N 0 0 329.425 2.178 40 0 EEABRN O=C(NC[C@H]1CCCS1(=O)=O)Nc1nc(C2CCC2)cs1 ZINC000333552726 312164704 /nfs/dbraw/zinc/16/47/04/312164704.db2.gz QGBWORVRERGGPS-SNVBAGLBSA-N 0 0 329.447 2.109 40 0 EEABRN CNC(=O)[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C(=O)OC ZINC000565786130 319214285 /nfs/dbraw/zinc/21/42/85/319214285.db2.gz KCABMIGMFDWHOQ-WCBMZHEXSA-N 0 0 345.321 2.214 40 0 EEABRN Cc1noc([C@H]2COCCN2C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000097098003 323320104 /nfs/dbraw/zinc/32/01/04/323320104.db2.gz GPDHXSJYMZCZPT-CQSZACIVSA-N 0 0 340.339 2.247 40 0 EEABRN COc1cc(NC(=O)CN(C)c2ncnc3[nH]ccc32)cc(OC)c1 ZINC000390835038 323545208 /nfs/dbraw/zinc/54/52/08/323545208.db2.gz BFPAAVULWRWVPX-UHFFFAOYSA-N 0 0 341.371 2.050 40 0 EEABRN CN(C(=O)c1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1 ZINC000000094787 462541858 /nfs/dbraw/zinc/54/18/58/462541858.db2.gz LTYNVMASTHBDFG-UHFFFAOYSA-N 0 0 337.261 2.300 40 0 EEABRN Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCCCC2)n1 ZINC000049410941 462969150 /nfs/dbraw/zinc/96/91/50/462969150.db2.gz YYFKYPVPBBMMGH-UHFFFAOYSA-N 0 0 344.390 2.320 40 0 EEABRN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@H](O)c1cc(C)cc(C)c1 ZINC000252489028 464965730 /nfs/dbraw/zinc/96/57/30/464965730.db2.gz JDURPQTYQJTIMP-YJBOKZPZSA-N 0 0 344.459 2.477 40 0 EEABRN CC[C@H](C)Oc1cc(C(=O)N2CC(n3nc(C)nc3C)C2)ccn1 ZINC000328802018 465134476 /nfs/dbraw/zinc/13/44/76/465134476.db2.gz ZPKQLTPZZLISLQ-NSHDSACASA-N 0 0 329.404 2.164 40 0 EEABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccn(C)n3)c2n1 ZINC000000271150 462552627 /nfs/dbraw/zinc/55/26/27/462552627.db2.gz UQJBLGQEUZTBLJ-UHFFFAOYSA-N 0 0 325.397 2.404 40 0 EEABRN CCCCC[C@@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O ZINC000001685777 462584890 /nfs/dbraw/zinc/58/48/90/462584890.db2.gz FJHIWOGHZZTUKU-ZDUSSCGKSA-N 0 0 339.413 2.343 40 0 EEABRN Cn1c(=O)c2ccc(-c3ccc(Br)cc3)nc2n(C)c1=O ZINC000001620143 462585704 /nfs/dbraw/zinc/58/57/04/462585704.db2.gz CRTOJKFOOSHBDI-UHFFFAOYSA-N 0 0 346.184 2.062 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000006204774 462679104 /nfs/dbraw/zinc/67/91/04/462679104.db2.gz PZYTZQBIPCEROK-GFCCVEGCSA-N 0 0 346.880 2.406 40 0 EEABRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(OCC(F)F)n1 ZINC000089707312 462711217 /nfs/dbraw/zinc/71/12/17/462711217.db2.gz JIBOIFALYGFADL-NSHDSACASA-N 0 0 336.342 2.266 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)/C=C/c3ccco3)CC2)n1 ZINC000075391559 462714755 /nfs/dbraw/zinc/71/47/55/462714755.db2.gz YMADAIDCWPBWIZ-VOTSOKGWSA-N 0 0 332.429 2.446 40 0 EEABRN O=C(NCCc1ccc(Cl)s1)N1CCC2(CC1)OCCO2 ZINC000047143626 462748765 /nfs/dbraw/zinc/74/87/65/462748765.db2.gz WTKPMFBVFMUWDA-UHFFFAOYSA-N 0 0 330.837 2.493 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 ZINC000008133545 462768613 /nfs/dbraw/zinc/76/86/13/462768613.db2.gz XXMCYWPMZDOLFS-LBPRGKRZSA-N 0 0 342.436 2.332 40 0 EEABRN CS(=O)(=O)c1cccc(OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000047368316 462773594 /nfs/dbraw/zinc/77/35/94/462773594.db2.gz QXXWWAUYVJUUKH-UHFFFAOYSA-N 0 0 341.335 2.386 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3ccncc3)CC2)s1 ZINC000075968701 462779302 /nfs/dbraw/zinc/77/93/02/462779302.db2.gz AMIXXSDRNYUBAD-UHFFFAOYSA-N 0 0 332.429 2.037 40 0 EEABRN Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)s1 ZINC000008474030 462784531 /nfs/dbraw/zinc/78/45/31/462784531.db2.gz XRZXDPCUWVBNET-LBPRGKRZSA-N 0 0 330.413 2.455 40 0 EEABRN CCn1c(C)nnc1CS(=O)(=O)c1cccc(Br)c1 ZINC000090989278 462816746 /nfs/dbraw/zinc/81/67/46/462816746.db2.gz PHVYIOFMXZNKAD-UHFFFAOYSA-N 0 0 344.234 2.343 40 0 EEABRN CCc1cc(=O)[nH]c(SCC(=O)N2CCCc3ccccc32)n1 ZINC000010382493 462818461 /nfs/dbraw/zinc/81/84/61/462818461.db2.gz CSPNWSWPDXZNSB-UHFFFAOYSA-N 0 0 329.425 2.404 40 0 EEABRN O=C1[C@@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000012113156 462843989 /nfs/dbraw/zinc/84/39/89/462843989.db2.gz KTTROGCEKNVUKM-INIZCTEOSA-N 0 0 342.420 2.387 40 0 EEABRN C[C@@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000076480360 462866598 /nfs/dbraw/zinc/86/65/98/462866598.db2.gz NPRAOIRRDCTTAD-QWRGUYRKSA-N 0 0 348.415 2.143 40 0 EEABRN O=C(CC(F)(F)F)NCCCN1CCN(c2ccccc2F)CC1 ZINC000066446696 462890996 /nfs/dbraw/zinc/89/09/96/462890996.db2.gz IWLZAEFVWPGHTE-UHFFFAOYSA-N 0 0 347.356 2.406 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712934 462901211 /nfs/dbraw/zinc/90/12/11/462901211.db2.gz ZVCLCCSFVRGILZ-HIFRSBDPSA-N 0 0 326.462 2.454 40 0 EEABRN O=C(C1CC1)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019406719 463017545 /nfs/dbraw/zinc/01/75/45/463017545.db2.gz KPJOIIBYBSRVQU-UHFFFAOYSA-N 0 0 344.440 2.311 40 0 EEABRN Oc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCOCC2)cc1 ZINC000019825355 463022655 /nfs/dbraw/zinc/02/26/55/463022655.db2.gz WRBFLYFVQVUZFM-KRWDZBQOSA-N 0 0 343.431 2.306 40 0 EEABRN COCCCN(C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000077738617 463034921 /nfs/dbraw/zinc/03/49/21/463034921.db2.gz PQTGBOPXPLRELG-UHFFFAOYSA-N 0 0 347.184 2.022 40 0 EEABRN COc1cc(F)cc(CNC(=O)NCc2csc(N(C)C)n2)c1 ZINC000094037685 463055457 /nfs/dbraw/zinc/05/54/57/463055457.db2.gz IIHJUJWHVLFZOV-UHFFFAOYSA-N 0 0 338.408 2.356 40 0 EEABRN CC(C)[C@H](NC(=O)c1nn(CCC[C@H](C)F)c2ccccc12)C(N)=O ZINC000096032851 463142676 /nfs/dbraw/zinc/14/26/76/463142676.db2.gz KSBISSAWUAIQIT-WFASDCNBSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041795 463146173 /nfs/dbraw/zinc/14/61/73/463146173.db2.gz UKJBOSCTGSPWKO-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042211 463148161 /nfs/dbraw/zinc/14/81/61/463148161.db2.gz KTUCOACFAGWMOE-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096048674 463153063 /nfs/dbraw/zinc/15/30/63/463153063.db2.gz BWHKMMYAKSHWSP-IBGZPJMESA-N 0 0 339.395 2.330 40 0 EEABRN Fc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049143 463153764 /nfs/dbraw/zinc/15/37/64/463153764.db2.gz KQVGBRALTHAXBG-LJQANCHMSA-N 0 0 342.418 2.487 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061204 463161603 /nfs/dbraw/zinc/16/16/03/463161603.db2.gz YFARVKZUGKDMFE-OAHLLOKOSA-N 0 0 346.427 2.268 40 0 EEABRN Cc1ccc(CN2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080572 463168532 /nfs/dbraw/zinc/16/85/32/463168532.db2.gz NUEJYBTUKRXYIW-AEFFLSMTSA-N 0 0 346.452 2.234 40 0 EEABRN Cc1occc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1 ZINC000096084731 463170595 /nfs/dbraw/zinc/17/05/95/463170595.db2.gz CEAIJVDPLUZZSP-UHFFFAOYSA-N 0 0 343.431 2.212 40 0 EEABRN CCOCC(=O)N1CCC2(CO[C@H](COCc3ccccn3)C2)CC1 ZINC000096106187 463173815 /nfs/dbraw/zinc/17/38/15/463173815.db2.gz DVUXMZKKPFJXCN-KRWDZBQOSA-N 0 0 348.443 2.032 40 0 EEABRN O=C(COc1ccc(Cl)cc1)NCc1nccc(N2CCCC2)n1 ZINC000096120754 463180685 /nfs/dbraw/zinc/18/06/85/463180685.db2.gz DCCKMVOUXSBWMG-UHFFFAOYSA-N 0 0 346.818 2.425 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2nc(C)cc(N3CCCC3)n2)s1 ZINC000096120778 463180962 /nfs/dbraw/zinc/18/09/62/463180962.db2.gz MPBZZJZIEPLVFS-UHFFFAOYSA-N 0 0 331.445 2.389 40 0 EEABRN O=C(N[C@H]1CCC[C@H]1Oc1ccccc1)c1ccnc(-n2cncn2)c1 ZINC000079033029 463181811 /nfs/dbraw/zinc/18/18/11/463181811.db2.gz XPJUTAWXCTXUAM-DLBZAZTESA-N 0 0 349.394 2.392 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N(C)C)nc1N(C)C ZINC000096121399 463181930 /nfs/dbraw/zinc/18/19/30/463181930.db2.gz DITPMHGYCRDBGQ-LBPRGKRZSA-N 0 0 329.404 2.015 40 0 EEABRN Cc1cccc(CN2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)n1 ZINC000096185140 463196007 /nfs/dbraw/zinc/19/60/07/463196007.db2.gz DLAMNTRCZMDBJF-BRWVUGGUSA-N 0 0 343.452 2.081 40 0 EEABRN O=C(c1ccnnc1)N1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC000096187656 463198906 /nfs/dbraw/zinc/19/89/06/463198906.db2.gz MFCPOEYSRDVNBI-UHFFFAOYSA-N 0 0 349.369 2.314 40 0 EEABRN c1csc(CN2Cc3nccn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096187964 463200160 /nfs/dbraw/zinc/20/01/60/463200160.db2.gz FPQDVSHHCDXXAC-AWEZNQCLSA-N 0 0 341.440 2.446 40 0 EEABRN CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccc1)C2 ZINC000096189384 463201278 /nfs/dbraw/zinc/20/12/78/463201278.db2.gz AFCIFZOLHNTBRC-UHFFFAOYSA-N 0 0 339.439 2.245 40 0 EEABRN Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)N1CCCC1)C2 ZINC000096198040 463203459 /nfs/dbraw/zinc/20/34/59/463203459.db2.gz TYZJXLSJMTUSJJ-OAHLLOKOSA-N 0 0 341.415 2.009 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000027927370 463209480 /nfs/dbraw/zinc/20/94/80/463209480.db2.gz SLTPECYHAYKVPO-UHFFFAOYSA-N 0 0 333.480 2.197 40 0 EEABRN COCCNc1ccnc([C@@H]2COCCN2Cc2sccc2C)n1 ZINC000096219798 463216324 /nfs/dbraw/zinc/21/63/24/463216324.db2.gz FVUDTLSTRHGAEM-AWEZNQCLSA-N 0 0 348.472 2.478 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096224291 463218744 /nfs/dbraw/zinc/21/87/44/463218744.db2.gz LLJFKUNODGAWMS-IBGZPJMESA-N 0 0 342.443 2.112 40 0 EEABRN Fc1cccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226497 463220608 /nfs/dbraw/zinc/22/06/08/463220608.db2.gz JEYOXGQIRBVRFM-SFHVURJKSA-N 0 0 328.391 2.492 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227459 463221857 /nfs/dbraw/zinc/22/18/57/463221857.db2.gz OROHAYKQVMGVRL-YLJYHZDGSA-N 0 0 341.455 2.469 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1cccnc1)CC2 ZINC000096254654 463228428 /nfs/dbraw/zinc/22/84/28/463228428.db2.gz FBBIZDMGNAKYSI-UHFFFAOYSA-N 0 0 337.427 2.021 40 0 EEABRN Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096259108 463229976 /nfs/dbraw/zinc/22/99/76/463229976.db2.gz VZYIGPMHNWHRID-UHFFFAOYSA-N 0 0 341.802 2.474 40 0 EEABRN C[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N(C)c1ccccc1 ZINC000096408936 463242983 /nfs/dbraw/zinc/24/29/83/463242983.db2.gz MVLBBXCQVAZHAN-LFVRLGFBSA-N 0 0 339.505 2.358 40 0 EEABRN O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc2[nH]ccc2c1 ZINC000096414024 463246995 /nfs/dbraw/zinc/24/69/95/463246995.db2.gz UTHIXHLITSYFCV-NSHDSACASA-N 0 0 325.290 2.061 40 0 EEABRN CCC[C@@H](Cc1ccccc1)NS(=O)(=O)N(C)C1CCOCC1 ZINC000096417478 463249125 /nfs/dbraw/zinc/24/91/25/463249125.db2.gz YSPVLHGYWJJKKN-INIZCTEOSA-N 0 0 340.489 2.343 40 0 EEABRN CN(C)S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000096421269 463252920 /nfs/dbraw/zinc/25/29/20/463252920.db2.gz QHVGKMHMDANPHV-UHFFFAOYSA-N 0 0 347.278 2.219 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3nccc4ccccc43)CC2)S1 ZINC000096426971 463255872 /nfs/dbraw/zinc/25/58/72/463255872.db2.gz DPDYUTDYVATMAB-CYBMUJFWSA-N 0 0 340.452 2.484 40 0 EEABRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)C(C)C ZINC000096433003 463261235 /nfs/dbraw/zinc/26/12/35/463261235.db2.gz SSPNCQBEVXFCTB-OAHLLOKOSA-N 0 0 329.437 2.332 40 0 EEABRN CCN(C)c1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 ZINC000096434517 463262606 /nfs/dbraw/zinc/26/26/06/463262606.db2.gz HROYMNGGHPGXFJ-UHFFFAOYSA-N 0 0 343.431 2.480 40 0 EEABRN CCCn1ccc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21 ZINC000096435100 463263535 /nfs/dbraw/zinc/26/35/35/463263535.db2.gz BRPVRCNGFCUMDP-UHFFFAOYSA-N 0 0 335.429 2.314 40 0 EEABRN O=C(Nc1c(O)cccc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096436566 463264961 /nfs/dbraw/zinc/26/49/61/463264961.db2.gz SIIQPAPIQUJDLN-INIZCTEOSA-N 0 0 330.359 2.371 40 0 EEABRN C[C@](O)(CNC(=O)NCCCn1cnc2ccccc21)c1ccco1 ZINC000096437438 463265943 /nfs/dbraw/zinc/26/59/43/463265943.db2.gz GQPCCFDEAWXAST-SFHVURJKSA-N 0 0 342.399 2.226 40 0 EEABRN Cc1nc(C)c(CNC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)s1 ZINC000096440027 463266258 /nfs/dbraw/zinc/26/62/58/463266258.db2.gz TVTMQKCNODSIEN-CQSZACIVSA-N 0 0 348.476 2.494 40 0 EEABRN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 ZINC000096437728 463266276 /nfs/dbraw/zinc/26/62/76/463266276.db2.gz BWMYTDXFCGRNRC-RYUDHWBXSA-N 0 0 329.404 2.500 40 0 EEABRN O=C(Cc1ccccc1)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000029708617 463269473 /nfs/dbraw/zinc/26/94/73/463269473.db2.gz ZFWXQSBBRFJJDA-UHFFFAOYSA-N 0 0 337.423 2.179 40 0 EEABRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096446221 463270721 /nfs/dbraw/zinc/27/07/21/463270721.db2.gz BQUUMYKCVOZSAH-FNODVLLQSA-N 0 0 347.440 2.348 40 0 EEABRN Cc1cc(CN2CCN(c3cncc(OCC(C)C)n3)CC2)on1 ZINC000096447896 463271024 /nfs/dbraw/zinc/27/10/24/463271024.db2.gz WJLMVZFFJIBTHZ-UHFFFAOYSA-N 0 0 331.420 2.130 40 0 EEABRN O=C(Cn1ccnn1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000096454928 463275273 /nfs/dbraw/zinc/27/52/73/463275273.db2.gz YALIFJVIGOJMLD-UHFFFAOYSA-N 0 0 337.836 2.123 40 0 EEABRN Cc1cc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)no1 ZINC000096455243 463275767 /nfs/dbraw/zinc/27/57/67/463275767.db2.gz NRXRIJYBXIGVFD-UHFFFAOYSA-N 0 0 330.392 2.180 40 0 EEABRN CC1(C)CN=C(N2CCN(c3nccc(C(F)(F)F)n3)CC2)S1 ZINC000096461268 463276994 /nfs/dbraw/zinc/27/69/94/463276994.db2.gz XHXLUNAUIHDILP-UHFFFAOYSA-N 0 0 345.394 2.499 40 0 EEABRN C[C@H]1CN(C(=O)CNC(=O)c2ccsc2)[C@@H](c2ccccc2)CO1 ZINC000096461458 463277091 /nfs/dbraw/zinc/27/70/91/463277091.db2.gz MUFUHDZYTONLTB-XJKSGUPXSA-N 0 0 344.436 2.467 40 0 EEABRN CC[C@@H](NC(=O)c1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473752 463279144 /nfs/dbraw/zinc/27/91/44/463279144.db2.gz QPHFFTPNXJWKDF-WBVHZDCISA-N 0 0 329.400 2.084 40 0 EEABRN CC[C@@H](C)S(=O)(=O)NCc1cn2cc(Br)ccc2n1 ZINC000096472471 463279182 /nfs/dbraw/zinc/27/91/82/463279182.db2.gz YCBMSZRZDPJOQB-SECBINFHSA-N 0 0 346.250 2.315 40 0 EEABRN O[C@H](COc1ccccc1Br)COC1CCOCC1 ZINC000096484781 463283955 /nfs/dbraw/zinc/28/39/55/463283955.db2.gz SQEIAXBCJFJBCU-NSHDSACASA-N 0 0 331.206 2.384 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccs2)co1 ZINC000096484818 463284067 /nfs/dbraw/zinc/28/40/67/463284067.db2.gz SMHICOSEDCSETO-NSHDSACASA-N 0 0 340.426 2.227 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)co1 ZINC000096484817 463284276 /nfs/dbraw/zinc/28/42/76/463284276.db2.gz SMHICOSEDCSETO-LLVKDONJSA-N 0 0 340.426 2.227 40 0 EEABRN Cn1cc(CNC(=O)N[C@@H]2CCCC[C@H]2O)c(-c2ccccc2)n1 ZINC000096501413 463291062 /nfs/dbraw/zinc/29/10/62/463291062.db2.gz CBOYRPNSPKXRPK-HZPDHXFCSA-N 0 0 328.416 2.190 40 0 EEABRN CCc1nnc(CN(C)[C@H](CO)c2cccc(Br)c2)[nH]1 ZINC000097096387 463322363 /nfs/dbraw/zinc/32/23/63/463322363.db2.gz GVBYDXZZHPKHEU-GFCCVEGCSA-N 0 0 339.237 2.295 40 0 EEABRN Cc1cccc2c(O)c(C(=O)N3CC[C@@H]4OCCC[C@@H]4C3)cnc12 ZINC000097100870 463323757 /nfs/dbraw/zinc/32/37/57/463323757.db2.gz VBUHGNVPDUTTJY-CJNGLKHVSA-N 0 0 326.396 2.478 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(C(=O)CCC(C)C)CC1 ZINC000097372624 463355346 /nfs/dbraw/zinc/35/53/46/463355346.db2.gz UEUUOBZRQUQVRP-CYBMUJFWSA-N 0 0 334.464 2.237 40 0 EEABRN Cc1cccc(NC(=O)CCNC(=O)NC2Cc3ccccc3C2)n1 ZINC000097377472 463356272 /nfs/dbraw/zinc/35/62/72/463356272.db2.gz HTNDWVXTFBPUCW-UHFFFAOYSA-N 0 0 338.411 2.185 40 0 EEABRN COc1cccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)c1 ZINC000144796524 463378221 /nfs/dbraw/zinc/37/82/21/463378221.db2.gz HPBYBFWKONHGPU-SFHVURJKSA-N 0 0 328.412 2.493 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)[nH]n1 ZINC000161938474 463471362 /nfs/dbraw/zinc/47/13/62/463471362.db2.gz RPMFEPIBTJYJRW-JTQLQIEISA-N 0 0 347.394 2.312 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CCc2ccccc2)C1 ZINC000057318677 463477544 /nfs/dbraw/zinc/47/75/44/463477544.db2.gz RLUMAUNYOGKZRN-RDJZCZTQSA-N 0 0 332.444 2.009 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 ZINC000057318600 463477640 /nfs/dbraw/zinc/47/76/40/463477640.db2.gz ADTILESCHBKLLD-OCCSQVGLSA-N 0 0 338.835 2.343 40 0 EEABRN O=C(NC[C@@H]1COc2ccccc2C1)c1cnn(-c2ccccc2)n1 ZINC000057893432 463527903 /nfs/dbraw/zinc/52/79/03/463527903.db2.gz HAWCSGUGQZBYNI-CQSZACIVSA-N 0 0 334.379 2.248 40 0 EEABRN CCOc1ccccc1CCNC(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000083718412 463556682 /nfs/dbraw/zinc/55/66/82/463556682.db2.gz YCAPXBHDFIXFML-UHFFFAOYSA-N 0 0 343.431 2.335 40 0 EEABRN O=C(c1ccccn1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC000107205087 463561676 /nfs/dbraw/zinc/56/16/76/463561676.db2.gz KSRURRKNYCZYOB-SZMVWBNQSA-N 0 0 339.395 2.318 40 0 EEABRN O=C(Cn1cc(C(=O)OC2(C3CC3)CC2)cn1)NC1CCCCC1 ZINC000083770927 463562092 /nfs/dbraw/zinc/56/20/92/463562092.db2.gz HVFHFECCNIOJGC-UHFFFAOYSA-N 0 0 331.416 2.431 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cccc(F)c3)[C@H]2C1 ZINC000107816080 463583628 /nfs/dbraw/zinc/58/36/28/463583628.db2.gz HHUPDTIYRFEZLU-QAPCUYQASA-N 0 0 346.427 2.331 40 0 EEABRN COc1ccc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000084583563 463613645 /nfs/dbraw/zinc/61/36/45/463613645.db2.gz QEYWQEVYUCIPRV-JSGCOSHPSA-N 0 0 336.407 2.269 40 0 EEABRN C[C@@H](NC(=O)/C=C/c1cccc(Br)c1)c1nncn1C ZINC000059006304 463638833 /nfs/dbraw/zinc/63/88/33/463638833.db2.gz PNJDFLLKAKUCMV-VQCYPWCPSA-N 0 0 335.205 2.468 40 0 EEABRN CCO[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000193629362 463722948 /nfs/dbraw/zinc/72/29/48/463722948.db2.gz SODHCZQZZCFIBM-LSDHHAIUSA-N 0 0 329.404 2.190 40 0 EEABRN CO[C@H]1CC[C@H](C(=O)N[C@H](C)c2nc(-c3cccnc3)n[nH]2)CC1 ZINC000257276777 463757676 /nfs/dbraw/zinc/75/76/76/463757676.db2.gz NVAWWXHPOJTWSM-YRGRVCCFSA-N 0 0 329.404 2.249 40 0 EEABRN Cc1nccc([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257281291 463760285 /nfs/dbraw/zinc/76/02/85/463760285.db2.gz OOLLTTJNBNYMAN-QGZVFWFLSA-N 0 0 334.383 2.343 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)ccn1 ZINC000257286981 463763463 /nfs/dbraw/zinc/76/34/63/463763463.db2.gz PNXXSGGXKWNMKR-HNNXBMFYSA-N 0 0 336.399 2.168 40 0 EEABRN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000257291919 463765046 /nfs/dbraw/zinc/76/50/46/463765046.db2.gz QJFVZNDKFFPVOL-ZDUSSCGKSA-N 0 0 343.431 2.141 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)no1 ZINC000257295850 463766887 /nfs/dbraw/zinc/76/68/87/463766887.db2.gz RADUYKPQIWPYAA-CQSZACIVSA-N 0 0 341.371 2.353 40 0 EEABRN c1cnc(C[C@@H]2CCC3(CCN(c4cnccn4)CC3)CO2)cn1 ZINC000257297848 463767048 /nfs/dbraw/zinc/76/70/48/463767048.db2.gz RIZVVRDSBVSXJL-INIZCTEOSA-N 0 0 325.416 2.275 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257298455 463767546 /nfs/dbraw/zinc/76/75/46/463767546.db2.gz RLQZEZYOZUZXGU-OAHLLOKOSA-N 0 0 337.427 2.390 40 0 EEABRN NC(=O)c1cnc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)s1 ZINC000257307810 463772526 /nfs/dbraw/zinc/77/25/26/463772526.db2.gz TUFGZXMQSJSZCO-LBPRGKRZSA-N 0 0 333.388 2.287 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)s1 ZINC000257313078 463773289 /nfs/dbraw/zinc/77/32/89/463773289.db2.gz UQYVOKLOVODFHG-ZDUSSCGKSA-N 0 0 332.429 2.380 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)Cn1c(=O)oc2ccccc21 ZINC000257318197 463774682 /nfs/dbraw/zinc/77/46/82/463774682.db2.gz VMXJVHMEQBQDRO-AWEZNQCLSA-N 0 0 340.383 2.380 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@H]2c2cc(N)nc(C)n2)cc1F ZINC000257315758 463774742 /nfs/dbraw/zinc/77/47/42/463774742.db2.gz VCQYFYJBMFZWHD-AWEZNQCLSA-N 0 0 330.363 2.492 40 0 EEABRN CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)N2CCCCCCC2)C1 ZINC000257328371 463780219 /nfs/dbraw/zinc/78/02/19/463780219.db2.gz XFIREUNLEBSTLO-INIZCTEOSA-N 0 0 344.459 2.294 40 0 EEABRN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)c1ccccc1C)CC2 ZINC000257331781 463781137 /nfs/dbraw/zinc/78/11/37/463781137.db2.gz XUFWEELDQFIFJR-IBGZPJMESA-N 0 0 344.455 2.221 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)ccn1 ZINC000257335039 463782885 /nfs/dbraw/zinc/78/28/85/463782885.db2.gz YILAXCPSGYWIRA-OAHLLOKOSA-N 0 0 327.432 2.196 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@H](OC)[C@@]2(CCCO2)C1 ZINC000257338227 463784907 /nfs/dbraw/zinc/78/49/07/463784907.db2.gz YWMNBDFDMOTEHI-PKOBYXMFSA-N 0 0 332.444 2.457 40 0 EEABRN CCN1C(=O)N=NC1S(=O)(=O)[C@H]1CCc2c1cccc2Cl ZINC000178942500 464021943 /nfs/dbraw/zinc/02/19/43/464021943.db2.gz GNZYMNKYYIAIDZ-NSHDSACASA-N 0 0 327.793 2.118 40 0 EEABRN CO[C@@H]1CCCC[C@H]1NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000195531369 464072033 /nfs/dbraw/zinc/07/20/33/464072033.db2.gz NPLWZLRXCCCXNF-CKNGIIGNSA-N 0 0 338.473 2.192 40 0 EEABRN C[C@@H](OC(=O)c1cnc2c(c1)ncn2C)c1ccc(-n2cncn2)cc1 ZINC000195576992 464080367 /nfs/dbraw/zinc/08/03/67/464080367.db2.gz UTQAUIULGKFUQM-GFCCVEGCSA-N 0 0 348.366 2.467 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000195579672 464082343 /nfs/dbraw/zinc/08/23/43/464082343.db2.gz UQWBJLMNTXMXGH-LLVKDONJSA-N 0 0 344.864 2.231 40 0 EEABRN Cc1cc(Br)cc(S(=O)(=O)NCC2(CCO)CC2)c1 ZINC000225441784 464159719 /nfs/dbraw/zinc/15/97/19/464159719.db2.gz PFODDIROPLOSLH-UHFFFAOYSA-N 0 0 348.262 2.198 40 0 EEABRN O=C(Nc1nncs1)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223372626 464142634 /nfs/dbraw/zinc/14/26/34/464142634.db2.gz NSYFRCYUAVBNPI-ZDUSSCGKSA-N 0 0 341.396 2.149 40 0 EEABRN Cc1cccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000224265952 464150380 /nfs/dbraw/zinc/15/03/80/464150380.db2.gz MOWNWUHNHMCGRE-UHFFFAOYSA-N 0 0 326.404 2.181 40 0 EEABRN COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224847414 464153381 /nfs/dbraw/zinc/15/33/81/464153381.db2.gz GLEGJXGZUDJEDR-UHFFFAOYSA-N 0 0 349.408 2.372 40 0 EEABRN Cc1occc1C(=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000225464513 464162233 /nfs/dbraw/zinc/16/22/33/464162233.db2.gz ALMLTNBFHDCBHJ-INIZCTEOSA-N 0 0 338.367 2.382 40 0 EEABRN Cc1cc(C(C)C)nc(N2CCN(c3ncnc(N)c3Cl)CC2)n1 ZINC000225486800 464164636 /nfs/dbraw/zinc/16/46/36/464164636.db2.gz VMVZWTMLQFFVFI-UHFFFAOYSA-N 0 0 347.854 2.261 40 0 EEABRN CCS(=O)(=O)N1CCc2c(cccc2NCC[C@H]2CCCO2)C1 ZINC000225534011 464168801 /nfs/dbraw/zinc/16/88/01/464168801.db2.gz QJORZFFHTCLLMN-OAHLLOKOSA-N 0 0 338.473 2.375 40 0 EEABRN C[C@@H](O)CN(C)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000225583374 464173432 /nfs/dbraw/zinc/17/34/32/464173432.db2.gz TXOJOTAFLQTQSO-SSDOTTSWSA-N 0 0 342.642 2.104 40 0 EEABRN CC(=O)N[C@@H](CC(C)C)c1nc(CC(=O)NC2CCCCC2)no1 ZINC000225592603 464173537 /nfs/dbraw/zinc/17/35/37/464173537.db2.gz XBDNRJQKUNPRHA-AWEZNQCLSA-N 0 0 336.436 2.284 40 0 EEABRN O=C1CCC(=O)N1CCNc1ncc(Cl)cc1Br ZINC000225594703 464175178 /nfs/dbraw/zinc/17/51/78/464175178.db2.gz IHGQPYZKEXCMSX-UHFFFAOYSA-N 0 0 332.585 2.058 40 0 EEABRN CC(C)n1cnc(S(=O)(=O)NCCc2ccc([C@@H](C)O)s2)c1 ZINC000225689190 464180309 /nfs/dbraw/zinc/18/03/09/464180309.db2.gz GPTIPZJUCUOZCB-LLVKDONJSA-N 0 0 343.474 2.100 40 0 EEABRN C[C@@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@@H]1C ZINC000179862489 464201249 /nfs/dbraw/zinc/20/12/49/464201249.db2.gz DYPGDWXFAOHLIK-CHWSQXEVSA-N 0 0 339.461 2.388 40 0 EEABRN O=C(Cc1cc[nH]n1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000179922121 464209260 /nfs/dbraw/zinc/20/92/60/464209260.db2.gz CBFWAIDGGWRJJP-UHFFFAOYSA-N 0 0 327.310 2.031 40 0 EEABRN C[C@H](NC(=O)NCC1(S(C)(=O)=O)CCC1)[C@@H](C)c1ccccc1 ZINC000280980486 464286796 /nfs/dbraw/zinc/28/67/96/464286796.db2.gz UITMQZVESMYADY-KGLIPLIRSA-N 0 0 338.473 2.445 40 0 EEABRN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188668330 464338010 /nfs/dbraw/zinc/33/80/10/464338010.db2.gz OWGLQNWQPVTENA-PVAVHDDUSA-N 0 0 339.399 2.071 40 0 EEABRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1cnn(C)c1C ZINC000271799835 464383716 /nfs/dbraw/zinc/38/37/16/464383716.db2.gz HTPPKQXFTCVBIP-MEDUHNTESA-N 0 0 334.395 2.443 40 0 EEABRN O=C(Cc1cncnc1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000239367171 464443121 /nfs/dbraw/zinc/44/31/21/464443121.db2.gz AHXIYEVYNYGRQM-UHFFFAOYSA-N 0 0 332.791 2.148 40 0 EEABRN CC(C)n1cc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cn1 ZINC000189227437 464460047 /nfs/dbraw/zinc/46/00/47/464460047.db2.gz LZVYXFBSTZINRF-UHFFFAOYSA-N 0 0 347.463 2.264 40 0 EEABRN O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)[C@H](O)c1ccccc1 ZINC000245093447 464467092 /nfs/dbraw/zinc/46/70/92/464467092.db2.gz RNUFRWVWQZMYKP-BZUAXINKSA-N 0 0 345.374 2.156 40 0 EEABRN COC(=O)C1(CNC(=O)N2CCC[C@H]2c2ccco2)CCOCC1 ZINC000181786880 464527747 /nfs/dbraw/zinc/52/77/47/464527747.db2.gz PGECFUYITZSCGT-ZDUSSCGKSA-N 0 0 336.388 2.096 40 0 EEABRN COc1c(OC[C@H](O)C(C)(C)O)ccc2c1N=C1OC=C[C@@H]1[C@H]2OC ZINC000247963558 464717421 /nfs/dbraw/zinc/71/74/21/464717421.db2.gz RMDGFVXKNRIXEW-ZLDLUXBVSA-N 0 0 349.383 2.097 40 0 EEABRN Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)cs1 ZINC000248044495 464725810 /nfs/dbraw/zinc/72/58/10/464725810.db2.gz PVDXHJSUQRVRFK-AWEZNQCLSA-N 0 0 332.429 2.099 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC3CCC3)C2)o1 ZINC000248033869 464725982 /nfs/dbraw/zinc/72/59/82/464725982.db2.gz MGWANOKAWVRHOD-HNNXBMFYSA-N 0 0 328.416 2.090 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)cc1 ZINC000190915171 464744727 /nfs/dbraw/zinc/74/47/27/464744727.db2.gz QDTJSWCSNIUZPO-KRWDZBQOSA-N 0 0 326.396 2.161 40 0 EEABRN C[C@H](CNC(=O)NC[C@@H]1CC[C@@H](O)C1)c1nc(-c2ccccc2)no1 ZINC000248979812 464826575 /nfs/dbraw/zinc/82/65/75/464826575.db2.gz VCDUMLFYIAHAMI-UMVBOHGHSA-N 0 0 344.415 2.300 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000266845755 464842298 /nfs/dbraw/zinc/84/22/98/464842298.db2.gz XWWNSAPACKTFIO-KRWDZBQOSA-N 0 0 328.416 2.320 40 0 EEABRN CCc1c(NC(=O)c2ccc(=O)[nH]n2)cnn1-c1cccc(Cl)c1 ZINC000192129988 464870390 /nfs/dbraw/zinc/87/03/90/464870390.db2.gz NXNFJVXDYQHMPV-UHFFFAOYSA-N 0 0 343.774 2.424 40 0 EEABRN O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1 ZINC000250112308 464926464 /nfs/dbraw/zinc/92/64/64/464926464.db2.gz JMACRQOJDRFQAX-ZFWWWQNUSA-N 0 0 336.819 2.209 40 0 EEABRN Cc1ccn(CC(=O)Nc2ccc(NC3CCOCC3)cc2)c(=O)c1 ZINC000252478986 464959343 /nfs/dbraw/zinc/95/93/43/464959343.db2.gz AYSWJSWAXOEWPL-UHFFFAOYSA-N 0 0 341.411 2.386 40 0 EEABRN CCCOc1cccc2c(N3CC[C@@H]4OCC(=O)N[C@H]4C3)ccnc12 ZINC000252479169 464960648 /nfs/dbraw/zinc/96/06/48/464960648.db2.gz BALGAMXFGUCPAB-HOCLYGCPSA-N 0 0 341.411 2.117 40 0 EEABRN NC(=O)[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000252483381 464961903 /nfs/dbraw/zinc/96/19/03/464961903.db2.gz DZZGRYUOXZAYGM-GFCCVEGCSA-N 0 0 335.379 2.344 40 0 EEABRN CCO[C@@H]1Cn2cccc2CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000253383098 464996848 /nfs/dbraw/zinc/99/68/48/464996848.db2.gz KIHRNCFXFWKKGI-OAHLLOKOSA-N 0 0 328.368 2.278 40 0 EEABRN CN(C)c1noc(CN2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396446 465000264 /nfs/dbraw/zinc/00/02/64/465000264.db2.gz FFARJPBDNLFYTF-SECBINFHSA-N 0 0 344.341 2.257 40 0 EEABRN C[C@@H](NC(=O)C1CCN(CC(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000253413430 465002856 /nfs/dbraw/zinc/00/28/56/465002856.db2.gz ZNPPFZKGHCSLDS-BZNIZROVSA-N 0 0 344.377 2.341 40 0 EEABRN COC(=O)c1cc(C)nc(N2Cc3ccccc3N(C)C[C@H]2C)n1 ZINC000253430957 465013345 /nfs/dbraw/zinc/01/33/45/465013345.db2.gz YTEHTMDAUKBTLV-CYBMUJFWSA-N 0 0 326.400 2.417 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)o1 ZINC000253431096 465013703 /nfs/dbraw/zinc/01/37/03/465013703.db2.gz OBTJQDOZHCIZLV-ZDUSSCGKSA-N 0 0 347.419 2.144 40 0 EEABRN Cc1cncc(O[C@H]2CCOC3(CN(C(=O)C4=CCCCC4)C3)C2)n1 ZINC000306141258 466494780 /nfs/dbraw/zinc/49/47/80/466494780.db2.gz VPYXIXJGCQVITO-INIZCTEOSA-N 0 0 343.427 2.424 40 0 EEABRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3cnncc3c2)C1 ZINC000408975630 466684519 /nfs/dbraw/zinc/68/45/19/466684519.db2.gz BNSQDFCBDJGAPX-INIZCTEOSA-N 0 0 340.427 2.350 40 0 EEABRN CCCCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000409410731 466687596 /nfs/dbraw/zinc/68/75/96/466687596.db2.gz OZZDMCTUEUEZKC-CQSZACIVSA-N 0 0 326.462 2.456 40 0 EEABRN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)CNC(N)=O ZINC000390833962 467414477 /nfs/dbraw/zinc/41/44/77/467414477.db2.gz PJPYWQFAWWCPSS-KUHUBIRLSA-N 0 0 337.423 2.260 40 0 EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000575405360 468141591 /nfs/dbraw/zinc/14/15/91/468141591.db2.gz SGQZPSLVVYHLQO-OAHLLOKOSA-N 0 0 346.456 2.190 40 0 EEABRN Cc1ncsc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609297 468147961 /nfs/dbraw/zinc/14/79/61/468147961.db2.gz VHMOOLYVNRKMJK-UHFFFAOYSA-N 0 0 329.429 2.081 40 0 EEABRN O=C(c1ccc(F)c(Cl)c1)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093297 468963121 /nfs/dbraw/zinc/96/31/21/468963121.db2.gz OAGGAMOFQSYLGZ-AWEZNQCLSA-N 0 0 346.736 2.467 40 0 EEABRN C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)CC1CC1 ZINC000585096233 468964661 /nfs/dbraw/zinc/96/46/61/468964661.db2.gz CCBGQHJUBZLKEF-LBPRGKRZSA-N 0 0 342.399 2.109 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@H]2C ZINC000585097953 468967610 /nfs/dbraw/zinc/96/76/10/468967610.db2.gz PQUBYZHKBVAHPE-ZDUSSCGKSA-N 0 0 331.391 2.357 40 0 EEABRN CC(C)(C)n1cnc(NC(=O)NCCc2ccnc3ccccc23)n1 ZINC000585101457 468969473 /nfs/dbraw/zinc/96/94/73/468969473.db2.gz SSFICRYJBNVSQI-UHFFFAOYSA-N 0 0 338.415 2.946 40 0 EEABRN CC1CCC(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)CC1 ZINC000585109562 468973691 /nfs/dbraw/zinc/97/36/91/468973691.db2.gz WVFOMZVYJYLKKF-LMNGEROHSA-N 0 0 334.460 2.051 40 0 EEABRN COCCN(C)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000585142379 468991778 /nfs/dbraw/zinc/99/17/78/468991778.db2.gz VEMIRRXGCYQSTA-UHFFFAOYSA-N 0 0 340.376 2.280 40 0 EEABRN O=C(CCc1cccc(Cl)c1)NCCn1nc2c(cc1=O)CCC2 ZINC000585150473 468994363 /nfs/dbraw/zinc/99/43/63/468994363.db2.gz NAECPJIKXONJBD-UHFFFAOYSA-N 0 0 345.830 2.134 40 0 EEABRN Nc1ncccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585276349 469000968 /nfs/dbraw/zinc/00/09/68/469000968.db2.gz IRGJPPNTOSTROM-HOTGVXAUSA-N 0 0 329.375 2.011 40 0 EEABRN CCn1ccnc1CN1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585276915 469002280 /nfs/dbraw/zinc/00/22/80/469002280.db2.gz SQRAERBPEOUMDJ-LJQANCHMSA-N 0 0 345.443 2.199 40 0 EEABRN COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccc2oc(C)cc2c1 ZINC000585277741 469002889 /nfs/dbraw/zinc/00/28/89/469002889.db2.gz KWZPWCWRKMNYSQ-SFHVURJKSA-N 0 0 330.384 2.238 40 0 EEABRN Cc1nc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(C)cc3)[C@@H]2O)co1 ZINC000585284194 469007604 /nfs/dbraw/zinc/00/76/04/469007604.db2.gz FXQUMHCJCURRCV-KBRIMQKVSA-N 0 0 330.384 2.240 40 0 EEABRN Cn1cnc2c1ncnc2NCc1cccc(CN2CCCC2=O)c1 ZINC000624500192 469957783 /nfs/dbraw/zinc/95/77/83/469957783.db2.gz ZWCZMIFFXXBRTI-UHFFFAOYSA-N 0 0 336.399 2.098 40 0 EEABRN C[C@]1(C(F)F)CN(C(=O)N[C@H]2COc3ccc(F)cc3C2)CCO1 ZINC000664917615 471897671 /nfs/dbraw/zinc/89/76/71/471897671.db2.gz WPHSEMKKCMBPNZ-MLGOLLRUSA-N 0 0 344.333 2.195 40 0 EEABRN O=C(NCc1cccs1)NC[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000390827259 485667865 /nfs/dbraw/zinc/66/78/65/485667865.db2.gz FXTHCINKDWKLSN-CYBMUJFWSA-N 0 0 334.397 2.052 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257320279 501011493 /nfs/dbraw/zinc/01/14/93/501011493.db2.gz VWANJQPACYDTPH-UHFFFAOYSA-N 0 0 327.388 2.188 40 0 EEABRN COc1ccccc1CCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000182306455 534047176 /nfs/dbraw/zinc/04/71/76/534047176.db2.gz HGKJLQIVJDAMKZ-MRXNPFEDSA-N 0 0 342.395 2.230 40 0 EEABRN O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1C1CCOCC1 ZINC000187990845 534803902 /nfs/dbraw/zinc/80/39/02/534803902.db2.gz KIWMTOBQYZVGND-CQSZACIVSA-N 0 0 345.428 2.070 40 0 EEABRN CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)N(C)C2CCCCC2)C1 ZINC000257241203 534810593 /nfs/dbraw/zinc/81/05/93/534810593.db2.gz HXBYQQOXULPYRD-HNNXBMFYSA-N 0 0 344.459 2.292 40 0 EEABRN CNC(=O)c1cnc(C2(C)CCN(C(=O)c3ccncc3)CC2)s1 ZINC000257258854 536438556 /nfs/dbraw/zinc/43/85/56/536438556.db2.gz KVUGQXBDOQARKC-UHFFFAOYSA-N 0 0 344.440 2.092 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000189651466 526821850 /nfs/dbraw/zinc/82/18/50/526821850.db2.gz LADRRMYYYUZCBN-VIFPVBQESA-N 0 0 332.322 2.461 40 0 EEABRN CCC[C@H]1C[C@H]1NC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000095408016 528433186 /nfs/dbraw/zinc/43/31/86/528433186.db2.gz MKMBCIGEKMZOLY-LSDHHAIUSA-N 0 0 346.475 2.384 40 0 EEABRN CCOc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)CC ZINC000408696460 528579849 /nfs/dbraw/zinc/57/98/49/528579849.db2.gz BPHFHIIDQBWYFD-UHFFFAOYSA-N 0 0 328.434 2.368 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCc1nc(C)cc(N(C)C)n1 ZINC000211098096 536547256 /nfs/dbraw/zinc/54/72/56/536547256.db2.gz UGGSLQOHKQNQSF-UHFFFAOYSA-N 0 0 334.807 2.443 40 0 EEABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(CC)CC ZINC000225737764 535817923 /nfs/dbraw/zinc/81/79/23/535817923.db2.gz GLEPAWPRGBNUPH-OAHLLOKOSA-N 0 0 342.461 2.108 40 0 EEABRN CCn1cc(C(=O)N2CCC[C@H]2c2cc(NC)nc(C)n2)c(C)n1 ZINC000257215271 536027772 /nfs/dbraw/zinc/02/77/72/536027772.db2.gz CPKZDZQRTBCGBE-HNNXBMFYSA-N 0 0 328.420 2.329 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)n1 ZINC000257203861 536421660 /nfs/dbraw/zinc/42/16/60/536421660.db2.gz ARYUYIXUUYVDIZ-CYBMUJFWSA-N 0 0 331.445 2.498 40 0 EEABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C ZINC000223062140 536541601 /nfs/dbraw/zinc/54/16/01/536541601.db2.gz BALBISMTHROCOB-HOTGVXAUSA-N 0 0 330.457 2.429 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCC(C)CC2)n1 ZINC000225901973 536588521 /nfs/dbraw/zinc/58/85/21/536588521.db2.gz YREGRCNHMMRCQG-UHFFFAOYSA-N 0 0 337.493 2.344 40 0 EEABRN COCc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)cc1 ZINC000257258969 536751995 /nfs/dbraw/zinc/75/19/95/536751995.db2.gz KWGPVZODQUCKME-DLBZAZTESA-N 0 0 330.428 2.306 40 0 EEABRN CC(C)n1ccnc1S(=O)(=O)Cc1cc(C(F)(F)F)nn1C ZINC000899469863 693752930 /nfs/dbraw/zinc/75/29/30/693752930.db2.gz DUXPNINPFHENIW-UHFFFAOYSA-N 0 0 336.339 2.190 40 0 EEABRN NC(=O)c1cc(N2CCC[C@@H]2c2cncc(Br)c2)ncn1 ZINC000895703823 684689674 /nfs/dbraw/zinc/68/96/74/684689674.db2.gz GXWCKCIKDAFGEH-GFCCVEGCSA-N 0 0 348.204 2.075 40 0 EEABRN CN1c2cc(Nc3nccn4cnnc34)ccc2OCC(C)(C)C1=O ZINC000896648907 685144444 /nfs/dbraw/zinc/14/44/44/685144444.db2.gz FACRNCKILXOYCJ-UHFFFAOYSA-N 0 0 338.371 2.249 40 0 EEABRN O=c1c(=Cc2ccc(-c3ccccc3Cl)o2)sc2n1CCN=2 ZINC000585680347 1184938424 /nfs/dbraw/zinc/93/84/24/1184938424.db2.gz WMUGXTFNLUBPON-UHFFFAOYSA-N 0 0 330.796 2.285 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000055941828 214349822 /nfs/dbraw/zinc/34/98/22/214349822.db2.gz KUMRVGIDXZXPNI-UHFFFAOYSA-N 0 0 346.452 2.186 40 0 EEABRN CCNC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)OCC)c1C ZINC000058157958 214485528 /nfs/dbraw/zinc/48/55/28/214485528.db2.gz MOUBGTMRHKXWJR-NSHDSACASA-N 0 0 336.392 2.210 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000097953891 219064754 /nfs/dbraw/zinc/06/47/54/219064754.db2.gz FYQIMAIYOWRGRR-SOUVJXGZSA-N 0 0 347.415 2.052 40 0 EEABRN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000004497866 210205063 /nfs/dbraw/zinc/20/50/63/210205063.db2.gz NURZEVMTAACBRP-GFCCVEGCSA-N 0 0 344.864 2.267 40 0 EEABRN CS(=O)(=O)N1CCC(Oc2nc3c(cc(F)cc3F)s2)CC1 ZINC000049444613 214007867 /nfs/dbraw/zinc/00/78/67/214007867.db2.gz DPYRXELTKSIONR-UHFFFAOYSA-N 0 0 348.396 2.377 40 0 EEABRN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4CC)C(=O)[C@@H]13)O2 ZINC000004200211 210143895 /nfs/dbraw/zinc/14/38/95/210143895.db2.gz ARAZAYXAIZVEQW-YYAJDYIMSA-N 0 0 327.380 2.099 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004132451 210128248 /nfs/dbraw/zinc/12/82/48/210128248.db2.gz WBCTYROYVYJZNW-UHFFFAOYSA-N 0 0 347.484 2.224 40 0 EEABRN CCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003611994 210066064 /nfs/dbraw/zinc/06/60/64/210066064.db2.gz LDEZWQBAEFIFPR-UHFFFAOYSA-N 0 0 332.853 2.265 40 0 EEABRN C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 ZINC000044869231 213653306 /nfs/dbraw/zinc/65/33/06/213653306.db2.gz BLUFBBCLDQFJTK-NSHDSACASA-N 0 0 333.355 2.030 40 0 EEABRN CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3n2C)CC1 ZINC000039640176 213241018 /nfs/dbraw/zinc/24/10/18/213241018.db2.gz HFFCMWWOOFNRNX-ZDUSSCGKSA-N 0 0 332.473 2.218 40 0 EEABRN NC(=O)c1cccc(CNC(=O)NCc2csc(C3CC3)n2)c1 ZINC000069921833 215633596 /nfs/dbraw/zinc/63/35/96/215633596.db2.gz VDQMZUWKDIVQFP-UHFFFAOYSA-N 0 0 330.413 2.119 40 0 EEABRN CNC(=O)NCC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000155441575 283370823 /nfs/dbraw/zinc/37/08/23/283370823.db2.gz IWOWZPQPSXDRRK-ZDUSSCGKSA-N 0 0 331.338 2.448 40 0 EEABRN CCn1cnc(S(=O)(=O)NCCc2coc(-c3ccccc3)n2)c1 ZINC000096446602 237058220 /nfs/dbraw/zinc/05/82/20/237058220.db2.gz FLEUXTYLVQDLLA-UHFFFAOYSA-N 0 0 346.412 2.079 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000072241687 216080419 /nfs/dbraw/zinc/08/04/19/216080419.db2.gz BLQNTSZMEKEBQX-IRXDYDNUSA-N 0 0 328.343 2.363 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000072360409 216167586 /nfs/dbraw/zinc/16/75/86/216167586.db2.gz QIVKFOXDUUTJCL-AWEZNQCLSA-N 0 0 336.403 2.379 40 0 EEABRN Cn1cc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cn1 ZINC000072378017 216179964 /nfs/dbraw/zinc/17/99/64/216179964.db2.gz GEAWQGQCGPYHSO-HNNXBMFYSA-N 0 0 336.403 2.081 40 0 EEABRN CN(c1ccccc1)c1ccc(C[C@H]2CCCN(C(=O)CO)C2)nn1 ZINC000072387258 216186207 /nfs/dbraw/zinc/18/62/07/216186207.db2.gz RDJQUUIPLMQJIZ-OAHLLOKOSA-N 0 0 340.427 2.018 40 0 EEABRN C[C@H]1C(=O)NCCCN1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000190995093 238840355 /nfs/dbraw/zinc/84/03/55/238840355.db2.gz SQXJBRVXYGUMCB-NSHDSACASA-N 0 0 343.349 2.168 40 0 EEABRN Cc1ccoc1C(=O)NC1CCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000073213155 216364872 /nfs/dbraw/zinc/36/48/72/216364872.db2.gz DQXHAXDSRBJMSF-UHFFFAOYSA-N 0 0 348.443 2.394 40 0 EEABRN O=C(NCC[S@](=O)c1ccccc1)c1cccc(-c2ncon2)c1 ZINC000073516541 216391498 /nfs/dbraw/zinc/39/14/98/216391498.db2.gz GMJQTFSWMKSSMZ-XMMPIXPASA-N 0 0 341.392 2.274 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1 ZINC000074915998 216535684 /nfs/dbraw/zinc/53/56/84/216535684.db2.gz JQDLEVUZFAHQJA-UHFFFAOYSA-N 0 0 348.380 2.199 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)cc1 ZINC000074916207 216536179 /nfs/dbraw/zinc/53/61/79/216536179.db2.gz HHYYROMBBFUSMW-UHFFFAOYSA-N 0 0 335.381 2.292 40 0 EEABRN Cc1cc(C=O)c(C)n1CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000022124026 212277764 /nfs/dbraw/zinc/27/77/64/212277764.db2.gz PHIMOTBURQWKRW-UHFFFAOYSA-N 0 0 334.441 2.410 40 0 EEABRN O=C(NCCn1cccn1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194970177 240787756 /nfs/dbraw/zinc/78/77/56/240787756.db2.gz SHRGYDHQBFIJPD-UHFFFAOYSA-N 0 0 344.390 2.327 40 0 EEABRN O=C(NCCc1cc(Br)ccc1F)[C@]1(O)CCSC1 ZINC000195547641 240998617 /nfs/dbraw/zinc/99/86/17/240998617.db2.gz PXPJNINZNKWRIG-ZDUSSCGKSA-N 0 0 348.237 2.115 40 0 EEABRN CN(CC(C)(CO)CO)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000195556852 241005125 /nfs/dbraw/zinc/00/51/25/241005125.db2.gz QQVGRVADRTUBHN-UHFFFAOYSA-N 0 0 344.333 2.250 40 0 EEABRN Cc1ccc(C(=O)OCc2nnc3n2c2ccccc2c(=O)n3C)cc1 ZINC000021942041 212265213 /nfs/dbraw/zinc/26/52/13/212265213.db2.gz CXONJOWTYRXVRA-UHFFFAOYSA-N 0 0 348.362 2.247 40 0 EEABRN O=C(Cn1ncccc1=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219511657 241393556 /nfs/dbraw/zinc/39/35/56/241393556.db2.gz HCTVWZWISMURHO-ZDUSSCGKSA-N 0 0 335.454 2.012 40 0 EEABRN Cc1c(F)cccc1NC(=O)Nc1cnc(N2CCOCC2)nc1 ZINC000224264343 241743469 /nfs/dbraw/zinc/74/34/69/241743469.db2.gz LSGHNUIYXJJTEK-UHFFFAOYSA-N 0 0 331.351 2.405 40 0 EEABRN C[C@H](CCNC(=O)N1CCOC[C@H]1c1ncnn1C)CC(C)(C)C ZINC000225461449 241876348 /nfs/dbraw/zinc/87/63/48/241876348.db2.gz BWSUZVUVRHYFSK-KGLIPLIRSA-N 0 0 337.468 2.360 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n[nH]1 ZINC000225559595 241928131 /nfs/dbraw/zinc/92/81/31/241928131.db2.gz OHXNKDBNKMWIFE-UHFFFAOYSA-N 0 0 338.367 2.275 40 0 EEABRN CCOC(=O)c1cc(C)nn(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000225962185 242081629 /nfs/dbraw/zinc/08/16/29/242081629.db2.gz LYEJLZLKXDNDFK-UHFFFAOYSA-N 0 0 349.774 2.021 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CCc3c(C)noc3C)CC2)n[nH]1 ZINC000225750179 242017530 /nfs/dbraw/zinc/01/75/30/242017530.db2.gz RXJFGFBCYQAWJF-UHFFFAOYSA-N 0 0 331.420 2.041 40 0 EEABRN CCOC(=O)C(Cc1c(C)[nH]c2c(C)cccc2c1=O)C(=O)OCC ZINC000227163357 242124623 /nfs/dbraw/zinc/12/46/23/242124623.db2.gz ADEFKAGOQMXYHH-UHFFFAOYSA-N 0 0 345.395 2.430 40 0 EEABRN CC(=O)N(CCN1CCN(C(C)=O)CC1)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000020791495 212172268 /nfs/dbraw/zinc/17/22/68/212172268.db2.gz HRUBGZMAOSUVOK-ZWOKBUDYSA-N 0 0 349.519 2.237 40 0 EEABRN NC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000247711286 243451196 /nfs/dbraw/zinc/45/11/96/243451196.db2.gz JPENEENUSKIHMJ-JFUSQASVSA-N 0 0 327.211 2.431 40 0 EEABRN COC(=O)c1ccc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nn1 ZINC000253420657 243956731 /nfs/dbraw/zinc/95/67/31/243956731.db2.gz VWEDFWDNMBZUPR-QGZVFWFLSA-N 0 0 347.802 2.101 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000253592083 244028079 /nfs/dbraw/zinc/02/80/79/244028079.db2.gz STIPXWNAOJMLCU-KFWWJZLASA-N 0 0 330.432 2.085 40 0 EEABRN CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnn1C(C)C ZINC000257205357 244132136 /nfs/dbraw/zinc/13/21/36/244132136.db2.gz AYQXPOUXBYNGFW-WMZOPIPTSA-N 0 0 332.448 2.470 40 0 EEABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2c(C)noc2C)nc1 ZINC000257210452 244150389 /nfs/dbraw/zinc/15/03/89/244150389.db2.gz BUQVTHRUSAWMDL-MRXNPFEDSA-N 0 0 342.399 2.300 40 0 EEABRN CCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257216278 244166489 /nfs/dbraw/zinc/16/64/89/244166489.db2.gz CTVMLZVDXBAGGT-OAHLLOKOSA-N 0 0 348.472 2.179 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 ZINC000257222740 244190322 /nfs/dbraw/zinc/19/03/22/244190322.db2.gz DUNFVQBXNPGIJD-MRXNPFEDSA-N 0 0 345.374 2.241 40 0 EEABRN CC(C)n1nccc1-c1cncc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257240232 244241557 /nfs/dbraw/zinc/24/15/57/244241557.db2.gz HSQZSYXZSHWYOW-CQSZACIVSA-N 0 0 335.433 2.018 40 0 EEABRN O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc2ccccc21 ZINC000257246723 244258111 /nfs/dbraw/zinc/25/81/11/244258111.db2.gz IVNSNZQAYCVTPG-ICSRJNTNSA-N 0 0 340.423 2.394 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ccc(C)s2)n1 ZINC000257251901 244271003 /nfs/dbraw/zinc/27/10/03/244271003.db2.gz JSUIRBWMDWGKQD-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1ccnc(=O)[nH]1 ZINC000257256660 244283278 /nfs/dbraw/zinc/28/32/78/244283278.db2.gz KMJXGUMBXLVRCB-HNNXBMFYSA-N 0 0 327.384 2.405 40 0 EEABRN Cc1cnc(Nc2nccnc2[C@H]2CCCN2S(C)(=O)=O)s1 ZINC000257258137 244287382 /nfs/dbraw/zinc/28/73/82/244287382.db2.gz KSMRNPMINWNAOK-SNVBAGLBSA-N 0 0 339.446 2.082 40 0 EEABRN Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2nc(C)cc(C)n2)C1 ZINC000257268609 244371076 /nfs/dbraw/zinc/37/10/76/244371076.db2.gz MMKOACUIHXGDKA-AWEZNQCLSA-N 0 0 346.456 2.190 40 0 EEABRN O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@@H](c2ccncc2)C1 ZINC000257273477 244387105 /nfs/dbraw/zinc/38/71/05/244387105.db2.gz NGTDNSVEAUIRJG-GOSISDBHSA-N 0 0 336.347 2.402 40 0 EEABRN CC(=O)N1CCC(c2nccnc2CNC(=O)c2ccsc2)CC1 ZINC000257307250 244481537 /nfs/dbraw/zinc/48/15/37/244481537.db2.gz SXVWHKINELPARN-UHFFFAOYSA-N 0 0 344.440 2.194 40 0 EEABRN CN(C)C(=O)c1cc(NC(=O)NCCc2c(F)cccc2F)ccn1 ZINC000077717224 216961427 /nfs/dbraw/zinc/96/14/27/216961427.db2.gz QKECNKWGFFMRHX-UHFFFAOYSA-N 0 0 348.353 2.426 40 0 EEABRN Cc1ncc(CNC(=O)C(=O)Nc2ccccc2N2CCCC2)s1 ZINC000077820625 216981416 /nfs/dbraw/zinc/98/14/16/216981416.db2.gz OEALLUOTFPTNGK-UHFFFAOYSA-N 0 0 344.440 2.307 40 0 EEABRN NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000019173351 212003299 /nfs/dbraw/zinc/00/32/99/212003299.db2.gz LDAYIUBYYLIXPC-UHFFFAOYSA-N 0 0 340.351 2.184 40 0 EEABRN COCCCNC(=O)[C@H](C)[S@@](=O)Cc1csc(C(C)C)n1 ZINC000078394698 217046245 /nfs/dbraw/zinc/04/62/45/217046245.db2.gz MINSWJVDJGSKHF-WIUDPPPLSA-N 0 0 332.491 2.056 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1CS[C@@H]1CCCCNC1=O ZINC000078555790 217076067 /nfs/dbraw/zinc/07/60/67/217076067.db2.gz GRGKCZSNQXJDEI-CYBMUJFWSA-N 0 0 331.445 2.181 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 ZINC000078556743 217077410 /nfs/dbraw/zinc/07/74/10/217077410.db2.gz LMNJXOJGEHTSGU-UHFFFAOYSA-N 0 0 344.396 2.385 40 0 EEABRN CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000078556499 217077647 /nfs/dbraw/zinc/07/76/47/217077647.db2.gz PWTJWWPJHKTXSB-HOTGVXAUSA-N 0 0 347.440 2.069 40 0 EEABRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc2c1OCCO2 ZINC000078611439 217086621 /nfs/dbraw/zinc/08/66/21/217086621.db2.gz IHZFCGHPQIMBFW-OAHLLOKOSA-N 0 0 346.427 2.255 40 0 EEABRN CC(=O)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000078944784 217154738 /nfs/dbraw/zinc/15/47/38/217154738.db2.gz MWJWDDZYWPTGHO-UHFFFAOYSA-N 0 0 348.406 2.330 40 0 EEABRN CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O ZINC000079036315 217178522 /nfs/dbraw/zinc/17/85/22/217178522.db2.gz VWNBNAMOAQMKGS-KCPJHIHWSA-N 0 0 342.436 2.146 40 0 EEABRN O=C(CNc1ccccc1Cl)NCCCOC[C@@H]1CCCO1 ZINC000079050108 217181495 /nfs/dbraw/zinc/18/14/95/217181495.db2.gz AYECYGMSZGYSGH-ZDUSSCGKSA-N 0 0 326.824 2.454 40 0 EEABRN CC1(C)OC(=O)c2c1ccnc2NCCC(=O)NCc1ccncc1 ZINC000079002513 217172720 /nfs/dbraw/zinc/17/27/20/217172720.db2.gz GMSHXVILIBEPFR-UHFFFAOYSA-N 0 0 340.383 2.001 40 0 EEABRN Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)on1 ZINC000079065096 217186012 /nfs/dbraw/zinc/18/60/12/217186012.db2.gz BYNDYPPLFLZXIO-LSDHHAIUSA-N 0 0 331.416 2.295 40 0 EEABRN CC(C)OCCCNC(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000079349214 217212808 /nfs/dbraw/zinc/21/28/08/217212808.db2.gz JUDIBWLETJPEIV-MRXNPFEDSA-N 0 0 330.375 2.287 40 0 EEABRN Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000079359814 217215260 /nfs/dbraw/zinc/21/52/60/217215260.db2.gz IKCVJCMMDIWBMM-DGCLKSJQSA-N 0 0 334.763 2.190 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1C ZINC000080609715 217318401 /nfs/dbraw/zinc/31/84/01/217318401.db2.gz BNPHRPKNYCAPAO-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCc2c1cccc2Cl ZINC000185835082 284459305 /nfs/dbraw/zinc/45/93/05/284459305.db2.gz QJUOKJFMRCFMHJ-LBPRGKRZSA-N 0 0 339.844 2.444 40 0 EEABRN Cc1ncc(-c2ccccn2)c(CCNC(=O)CC[C@H]2CCCO2)n1 ZINC000012234615 211326236 /nfs/dbraw/zinc/32/62/36/211326236.db2.gz ICHFLLHJGUMAAZ-OAHLLOKOSA-N 0 0 340.427 2.465 40 0 EEABRN O=C(COc1ccc2nncn2n1)NC1(c2ccccc2)CCCC1 ZINC000012197382 211317582 /nfs/dbraw/zinc/31/75/82/211317582.db2.gz ADXXMSPMRSVVBS-UHFFFAOYSA-N 0 0 337.383 2.089 40 0 EEABRN O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1cccs1 ZINC000012184879 211312667 /nfs/dbraw/zinc/31/26/67/211312667.db2.gz BJPXLFDGWVJHIA-ZDUSSCGKSA-N 0 0 329.425 2.425 40 0 EEABRN CCC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000012141847 211302599 /nfs/dbraw/zinc/30/25/99/211302599.db2.gz ZQVCDVDNWSMCIP-HNNXBMFYSA-N 0 0 329.375 2.450 40 0 EEABRN C[C@@H](NC(=O)Cc1ccccc1F)c1nnc(-c2ccncc2)[nH]1 ZINC000012114835 211294057 /nfs/dbraw/zinc/29/40/57/211294057.db2.gz VLLWATYHHFLLKY-LLVKDONJSA-N 0 0 325.347 2.426 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012113225 211293405 /nfs/dbraw/zinc/29/34/05/211293405.db2.gz YNXVUZQKJUUADD-HOTGVXAUSA-N 0 0 331.460 2.155 40 0 EEABRN COCCn1c2ccccc2n2c(=O)n(Cc3ccccc3F)nc12 ZINC000012145080 211305444 /nfs/dbraw/zinc/30/54/44/211305444.db2.gz VHWQXHORHOYWIF-UHFFFAOYSA-N 0 0 340.358 2.285 40 0 EEABRN Cc1cn2c(ncc(C(=O)N3CCC[C@@H]3c3ccncc3)c2=O)s1 ZINC000092878289 218178405 /nfs/dbraw/zinc/17/84/05/218178405.db2.gz WPJJLVBGHZHCNH-CQSZACIVSA-N 0 0 340.408 2.437 40 0 EEABRN CC(C)CSCCC(=O)N1CCN(C(=O)Cc2ccccn2)CC1 ZINC000095349727 218283547 /nfs/dbraw/zinc/28/35/47/218283547.db2.gz YMZSTMUSRIONIH-UHFFFAOYSA-N 0 0 349.500 2.074 40 0 EEABRN COCC(=O)N[C@@H]1CC2(CCN(CCF)CC2)Oc2ccccc21 ZINC000096242739 284784163 /nfs/dbraw/zinc/78/41/63/284784163.db2.gz OQDPWTVBTXUBIJ-OAHLLOKOSA-N 0 0 336.407 2.077 40 0 EEABRN Cc1nc(C)c(CCNC(=O)NCCCN2CCCCC2=O)s1 ZINC000095394096 218325852 /nfs/dbraw/zinc/32/58/52/218325852.db2.gz TYABNVFEZQZXLM-UHFFFAOYSA-N 0 0 338.477 2.004 40 0 EEABRN CN(CCS(C)(=O)=O)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095405157 218340504 /nfs/dbraw/zinc/34/05/04/218340504.db2.gz BTVNODYNOXFTQI-UHFFFAOYSA-N 0 0 330.881 2.285 40 0 EEABRN O=C(C[C@H]1CCOC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000095407220 218343408 /nfs/dbraw/zinc/34/34/08/218343408.db2.gz ZSYVINSLYJPMON-HZPDHXFCSA-N 0 0 330.428 2.082 40 0 EEABRN CC[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000095432860 218374592 /nfs/dbraw/zinc/37/45/92/218374592.db2.gz SBVLGEISPWZLGF-MRVPVSSYSA-N 0 0 342.642 2.152 40 0 EEABRN COCCN(CCC(=O)Nc1cc(C)on1)c1nc2ccccc2[nH]1 ZINC000095438698 218382305 /nfs/dbraw/zinc/38/23/05/218382305.db2.gz RULDQUYOXYMYBY-UHFFFAOYSA-N 0 0 343.387 2.341 40 0 EEABRN NC(=O)N1CC[C@@H](NC(=O)c2ccccc2NCc2ccccc2)C1 ZINC000095451531 218395743 /nfs/dbraw/zinc/39/57/43/218395743.db2.gz OFUBUOIAINFBFI-OAHLLOKOSA-N 0 0 338.411 2.182 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000008223252 210914421 /nfs/dbraw/zinc/91/44/21/210914421.db2.gz DYPRUORMJWROBY-SNVBAGLBSA-N 0 0 330.837 2.066 40 0 EEABRN O=C(c1ccnnc1)N1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040312 218522295 /nfs/dbraw/zinc/52/22/95/218522295.db2.gz LUQQQNADYDLEEF-MJGOQNOKSA-N 0 0 345.443 2.305 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)c1 ZINC000096041842 218525204 /nfs/dbraw/zinc/52/52/04/218525204.db2.gz PQDMMQMIURGLFU-ZMSDIMECSA-N 0 0 348.472 2.178 40 0 EEABRN CC(C)Oc1ncnc2c1CCN(C(=O)Cc1cccs1)CC2 ZINC000096084062 218582803 /nfs/dbraw/zinc/58/28/03/218582803.db2.gz YDVKMNRIJKYMCO-UHFFFAOYSA-N 0 0 331.441 2.495 40 0 EEABRN Cc1cc(C(=O)N2CCN(Cc3ccncc3)c3ncccc3C2)no1 ZINC000096198976 218670315 /nfs/dbraw/zinc/67/03/15/218670315.db2.gz SZYGCOKEORFAIH-UHFFFAOYSA-N 0 0 349.394 2.436 40 0 EEABRN O=C(c1ccsc1)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 ZINC000096199719 218670884 /nfs/dbraw/zinc/67/08/84/218670884.db2.gz DUSLSYSXNRBZTR-HNNXBMFYSA-N 0 0 341.436 2.422 40 0 EEABRN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000096402374 218750214 /nfs/dbraw/zinc/75/02/14/218750214.db2.gz FIYSTXVILLSJMQ-QAPCUYQASA-N 0 0 343.427 2.132 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCc2ccccc21 ZINC000268508321 251977893 /nfs/dbraw/zinc/97/78/93/251977893.db2.gz WYCNKSWLGSHQTI-HOTGVXAUSA-N 0 0 340.427 2.496 40 0 EEABRN Cc1cc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)nn1C ZINC000096420027 218783693 /nfs/dbraw/zinc/78/36/93/218783693.db2.gz FUNCMBPOHJBRLW-LBPRGKRZSA-N 0 0 328.199 2.499 40 0 EEABRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCCS(=O)(=O)CC2)s1 ZINC000096430997 218805199 /nfs/dbraw/zinc/80/51/99/218805199.db2.gz ZOEMYOMIGAZIIA-AATRIKPKSA-N 0 0 342.486 2.101 40 0 EEABRN C[C@H](CCc1ccccc1F)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000096431229 218806076 /nfs/dbraw/zinc/80/60/76/218806076.db2.gz LXTSPIQSGOAJLV-ZIAGYGMSSA-N 0 0 341.448 2.288 40 0 EEABRN O=C(NCCNC(=O)c1ccccc1)N[C@H](c1nccs1)C1CC1 ZINC000096437686 218818287 /nfs/dbraw/zinc/81/82/87/218818287.db2.gz RFADIAOGDQFLJI-AWEZNQCLSA-N 0 0 344.440 2.323 40 0 EEABRN C[C@H]1CN(C(=O)NCc2nccn2CCCc2ccccc2)CCO1 ZINC000096459729 218843271 /nfs/dbraw/zinc/84/32/71/218843271.db2.gz BZVQHHHEUBCPCO-INIZCTEOSA-N 0 0 342.443 2.446 40 0 EEABRN Cc1nc(C)c(C(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)o1 ZINC000096466846 218847033 /nfs/dbraw/zinc/84/70/33/218847033.db2.gz PRTFYIFEPNRZCY-MRXNPFEDSA-N 0 0 341.411 2.112 40 0 EEABRN Cc1ccc(C(C)C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 ZINC000004939999 210330793 /nfs/dbraw/zinc/33/07/93/210330793.db2.gz OUSUHCNSNDEUNI-UHFFFAOYSA-N 0 0 342.399 2.195 40 0 EEABRN O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 ZINC000004802816 210279889 /nfs/dbraw/zinc/27/98/89/210279889.db2.gz DLLDGCMBIXQKEZ-OEMYIYORSA-N 0 0 347.370 2.159 40 0 EEABRN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCO[C@H](c2ccsc2)C1 ZINC000276049234 256398235 /nfs/dbraw/zinc/39/82/35/256398235.db2.gz SKQKVMJBPFPTOE-RISCZKNCSA-N 0 0 333.413 2.189 40 0 EEABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N2CCOCC2)nc1 ZINC000072216146 257688335 /nfs/dbraw/zinc/68/83/35/257688335.db2.gz ZCFMOAJBGCQMEX-UHFFFAOYSA-N 0 0 349.431 2.406 40 0 EEABRN COc1ccc(Cl)cc1Nc1nc2nonc2n2c(C)nnc12 ZINC000408973184 257884855 /nfs/dbraw/zinc/88/48/55/257884855.db2.gz JPPCUBVADPAZRH-UHFFFAOYSA-N 0 0 331.723 2.375 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N[C@H](C)CC)ccc1OC ZINC000408585377 257895623 /nfs/dbraw/zinc/89/56/23/257895623.db2.gz FUKAYRPCYCSSJG-SNVBAGLBSA-N 0 0 330.406 2.340 40 0 EEABRN O=C(NCCc1nncn1C1CC1)[C@H]1SCCc2sccc21 ZINC000080173163 257834996 /nfs/dbraw/zinc/83/49/96/257834996.db2.gz HMLFTMMFVPEERI-AWEZNQCLSA-N 0 0 334.470 2.364 40 0 EEABRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H](O)c1cnn(C)c1 ZINC000330031974 258003166 /nfs/dbraw/zinc/00/31/66/258003166.db2.gz GSTADCRKDOPKPE-ZDUSSCGKSA-N 0 0 343.305 2.011 40 0 EEABRN C[C@@H]1CCCCN1C(=O)CNc1ccccc1N1CCC(O)CC1 ZINC000059807120 132804464 /nfs/dbraw/zinc/80/44/64/132804464.db2.gz TVQWFRMBWQGDAX-OAHLLOKOSA-N 0 0 331.460 2.461 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cccn2C)cc1 ZINC000257294596 286378690 /nfs/dbraw/zinc/37/86/90/286378690.db2.gz QUVOMKUYUQBFFJ-GOSISDBHSA-N 0 0 341.411 2.079 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000189920083 160151789 /nfs/dbraw/zinc/15/17/89/160151789.db2.gz CAWBNCNDPJCWCB-GWCFXTLKSA-N 0 0 341.337 2.363 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000157064432 224765628 /nfs/dbraw/zinc/76/56/28/224765628.db2.gz ZOBLQDZYVOMXPB-CHWSQXEVSA-N 0 0 330.388 2.102 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000192206649 287925664 /nfs/dbraw/zinc/92/56/64/287925664.db2.gz NFYAISLARXBYIR-DGCLKSJQSA-N 0 0 342.486 2.202 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222713 280176458 /nfs/dbraw/zinc/17/64/58/280176458.db2.gz MVTICBXFLWLAGW-YJBOKZPZSA-N 0 0 326.400 2.286 40 0 EEABRN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000000382735 280895547 /nfs/dbraw/zinc/89/55/47/280895547.db2.gz BKPYZRANVKERQT-UHFFFAOYSA-N 0 0 346.452 2.438 40 0 EEABRN Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1nsc(Cl)c1Cl)CC2 ZINC000012732787 282007445 /nfs/dbraw/zinc/00/74/45/282007445.db2.gz LWSZYNNIPXWVEC-UHFFFAOYSA-N 0 0 345.211 2.040 40 0 EEABRN CS(=O)(=O)Oc1ccccc1-c1ccccc1OS(C)(=O)=O ZINC000255190547 295542255 /nfs/dbraw/zinc/54/22/55/295542255.db2.gz XXNAJJKHIPIPOS-UHFFFAOYSA-N 0 0 342.394 2.030 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000096261129 295555819 /nfs/dbraw/zinc/55/58/19/295555819.db2.gz RUMCRPZZUMFVRT-SFHVURJKSA-N 0 0 349.434 2.289 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)s1 ZINC000242317001 301391287 /nfs/dbraw/zinc/39/12/87/301391287.db2.gz YWLQLGJRDAUZBK-VXGBXAGGSA-N 0 0 333.500 2.260 40 0 EEABRN Cc1ccccc1[C@@H](O)[C@@](Cl)(Br)S(C)(=O)=O ZINC000096519770 302137239 /nfs/dbraw/zinc/13/72/39/302137239.db2.gz ZOYKSIVIHAZIPU-ZJUUUORDSA-N 0 0 327.627 2.361 40 0 EEABRN Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 ZINC000000375413 462557092 /nfs/dbraw/zinc/55/70/92/462557092.db2.gz IVOFUUBZVJJZNS-UHFFFAOYSA-N 0 0 328.397 2.484 40 0 EEABRN CCn1cc(C2CCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cn1 ZINC000184519283 464989304 /nfs/dbraw/zinc/98/93/04/464989304.db2.gz CZCSOSZTLHWMQO-SNVBAGLBSA-N 0 0 339.383 2.363 40 0 EEABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(F)cc1 ZINC000044946708 462542217 /nfs/dbraw/zinc/54/22/17/462542217.db2.gz RTDNGXKSCXUAFH-UHFFFAOYSA-N 0 0 336.388 2.436 40 0 EEABRN CNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000420110 462561392 /nfs/dbraw/zinc/56/13/92/462561392.db2.gz MBHXSPNJGIIJDI-HNNXBMFYSA-N 0 0 345.468 2.322 40 0 EEABRN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccn(-c2ccccc2F)n1 ZINC000086062214 462564467 /nfs/dbraw/zinc/56/44/67/462564467.db2.gz YSSBPTLWFHRTAC-GFCCVEGCSA-N 0 0 343.358 2.179 40 0 EEABRN Cc1nc([C@@H](NC(=O)Nc2nncs2)c2ccccc2F)no1 ZINC000086165957 462565384 /nfs/dbraw/zinc/56/53/84/462565384.db2.gz NFTKAGWCWFUUJO-JTQLQIEISA-N 0 0 334.336 2.280 40 0 EEABRN COc1cccc(OC)c1C(=O)NC(=S)NNc1ccccc1 ZINC000000559878 462570241 /nfs/dbraw/zinc/57/02/41/462570241.db2.gz LLCWSAQIKQCRJE-UHFFFAOYSA-N 0 0 331.397 2.335 40 0 EEABRN COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1O ZINC000001557420 462583524 /nfs/dbraw/zinc/58/35/24/462583524.db2.gz SCSPKWNJBQNFPH-UHFFFAOYSA-N 0 0 331.368 2.391 40 0 EEABRN CCc1noc(CC)c1CC(=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC000087063139 462587705 /nfs/dbraw/zinc/58/77/05/462587705.db2.gz HQCNKZJVMVCTSX-UHFFFAOYSA-N 0 0 347.459 2.203 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCN(CCn2cccn2)CC1 ZINC000062021979 462606529 /nfs/dbraw/zinc/60/65/29/462606529.db2.gz TXFQMTOUAFXIHB-UHFFFAOYSA-N 0 0 348.834 2.003 40 0 EEABRN Cc1nnnn1-c1cccc(NC(=O)NCCc2ccc(F)cc2)c1 ZINC000045689805 462608368 /nfs/dbraw/zinc/60/83/68/462608368.db2.gz OJVBTWWAXPUWGM-UHFFFAOYSA-N 0 0 340.362 2.474 40 0 EEABRN CCCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113965083 462618703 /nfs/dbraw/zinc/61/87/03/462618703.db2.gz UUVVGKZCYMADAM-UHFFFAOYSA-N 0 0 330.425 2.288 40 0 EEABRN Cc1cc(C)cc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000113968607 462619400 /nfs/dbraw/zinc/61/94/00/462619400.db2.gz YQQUTPDTEXSIRM-UHFFFAOYSA-N 0 0 326.462 2.374 40 0 EEABRN COCCCn1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1 ZINC000088389874 462625827 /nfs/dbraw/zinc/62/58/27/462625827.db2.gz TWKDHHVXIIDWDA-ZDUSSCGKSA-N 0 0 332.408 2.402 40 0 EEABRN O=C(OC[C@@H]1O[C@H](O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005735407 462668738 /nfs/dbraw/zinc/66/87/38/462668738.db2.gz AKCFUIMCQPPMTA-ULQDDVLXSA-N 0 0 342.347 2.176 40 0 EEABRN CSc1nnc(C)n1NC(=O)COc1ccc(Cl)cc1C ZINC000006281307 462680665 /nfs/dbraw/zinc/68/06/65/462680665.db2.gz XOVKKBVANJURPQ-UHFFFAOYSA-N 0 0 326.809 2.419 40 0 EEABRN CCOC(=O)c1sc2ncn3nc(-c4cc[nH]n4)nc3c2c1C ZINC000006401997 462685964 /nfs/dbraw/zinc/68/59/64/462685964.db2.gz HKVLHAVDZYSGBN-UHFFFAOYSA-N 0 0 328.357 2.214 40 0 EEABRN NC(=O)NC(N)=NP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000006581483 462690737 /nfs/dbraw/zinc/69/07/37/462690737.db2.gz DBZTYNSRPKGWOS-UHFFFAOYSA-N 0 0 334.272 2.445 40 0 EEABRN Cc1ncn(CCNC(=O)NCc2ccc(Cl)cc2)c(=O)c1C ZINC000075166395 462691029 /nfs/dbraw/zinc/69/10/29/462691029.db2.gz LXOYZNIQTKOEIC-UHFFFAOYSA-N 0 0 334.807 2.013 40 0 EEABRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006783148 462704243 /nfs/dbraw/zinc/70/42/43/462704243.db2.gz GEFPUTLTUYNYMB-OAHLLOKOSA-N 0 0 338.473 2.312 40 0 EEABRN Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(OCC(F)F)n1 ZINC000089707311 462711724 /nfs/dbraw/zinc/71/17/24/462711724.db2.gz JIBOIFALYGFADL-LLVKDONJSA-N 0 0 336.342 2.266 40 0 EEABRN Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000006961653 462714198 /nfs/dbraw/zinc/71/41/98/462714198.db2.gz RFTBLZBVGILPTM-JYRVWZFOSA-N 0 0 326.331 2.335 40 0 EEABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3nnc(C)s3)CC2=O)cc1 ZINC000008473982 462784449 /nfs/dbraw/zinc/78/44/49/462784449.db2.gz YDSGGRVHJDDOIX-NSHDSACASA-N 0 0 346.412 2.237 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1OC ZINC000008475993 462784576 /nfs/dbraw/zinc/78/45/76/462784576.db2.gz NACNPVGNBYOHSD-UHFFFAOYSA-N 0 0 334.397 2.164 40 0 EEABRN CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010146582 462813259 /nfs/dbraw/zinc/81/32/59/462813259.db2.gz SCMWMMBJSBDVRK-QGZVFWFLSA-N 0 0 346.452 2.021 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010336714 462817512 /nfs/dbraw/zinc/81/75/12/462817512.db2.gz PLBULPZACYLUNC-KGLIPLIRSA-N 0 0 326.462 2.373 40 0 EEABRN CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076500838 462869561 /nfs/dbraw/zinc/86/95/61/462869561.db2.gz COARMXOOMFSNSL-VXGBXAGGSA-N 0 0 330.837 2.163 40 0 EEABRN COC(=O)C1CCN(C(=O)CSCc2ccc(OC)cc2)CC1 ZINC000013647071 462898630 /nfs/dbraw/zinc/89/86/30/462898630.db2.gz BZVIHCGLOPGITJ-UHFFFAOYSA-N 0 0 337.441 2.340 40 0 EEABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)N2CCCC2)C1)N1CCCC1 ZINC000019075325 463012807 /nfs/dbraw/zinc/01/28/07/463012807.db2.gz CHEMOFBOSHKYEQ-HZPDHXFCSA-N 0 0 336.480 2.404 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)CN1c2cccnc2N2CCC[C@@H]2C1=O ZINC000019496224 463018055 /nfs/dbraw/zinc/01/80/55/463018055.db2.gz BXJNRXUKTXASOW-SQWLQELKSA-N 0 0 342.443 2.092 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096039103 463143811 /nfs/dbraw/zinc/14/38/11/463143811.db2.gz UFLARVHVCZDRTF-HZPDHXFCSA-N 0 0 343.420 2.032 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096039259 463143895 /nfs/dbraw/zinc/14/38/95/463143895.db2.gz CTRDGXSAMMAXDX-QFBILLFUSA-N 0 0 343.427 2.231 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040189 463145679 /nfs/dbraw/zinc/14/56/79/463145679.db2.gz FBPVUXWWSUCAPS-PKOBYXMFSA-N 0 0 340.427 2.464 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000096039854 463145716 /nfs/dbraw/zinc/14/57/16/463145716.db2.gz KLRGCDYYNHTCNZ-MJGOQNOKSA-N 0 0 345.443 2.223 40 0 EEABRN O=C(NCC1CC1)[C@@H]1Cn2nccc2CN(Cc2cccs2)C1 ZINC000096044182 463148708 /nfs/dbraw/zinc/14/87/08/463148708.db2.gz HHMHSNTVWZRQHS-AWEZNQCLSA-N 0 0 330.457 2.103 40 0 EEABRN Cc1occc1C(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 ZINC000096044910 463149091 /nfs/dbraw/zinc/14/90/91/463149091.db2.gz BKAQSKKQKJAUAT-AWEZNQCLSA-N 0 0 329.400 2.488 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccc(F)cc2)Cc2nnn(CC3CC3)c21 ZINC000096045575 463149908 /nfs/dbraw/zinc/14/99/08/463149908.db2.gz OZBHONWICWJIBG-CQSZACIVSA-N 0 0 344.390 2.213 40 0 EEABRN O=C(N1CCCC1)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC000096046917 463150581 /nfs/dbraw/zinc/15/05/81/463150581.db2.gz BUDUEVHZISHHSF-UHFFFAOYSA-N 0 0 342.443 2.112 40 0 EEABRN Fc1ccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049144 463153753 /nfs/dbraw/zinc/15/37/53/463153753.db2.gz KQVGBRALTHAXBG-IBGZPJMESA-N 0 0 342.418 2.487 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061692 463160888 /nfs/dbraw/zinc/16/08/88/463160888.db2.gz KEIAYLHUHFLRMK-MSOLQXFVSA-N 0 0 340.423 2.438 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061693 463161324 /nfs/dbraw/zinc/16/13/24/463161324.db2.gz QADBIRRZDJOJPY-MOPGFXCFSA-N 0 0 340.423 2.438 40 0 EEABRN c1cncc(COCc2cncc3c2CCN([C@@H]2CCOC2)C3)c1 ZINC000096067378 463164070 /nfs/dbraw/zinc/16/40/70/463164070.db2.gz WESLQHYSCGGVAQ-GOSISDBHSA-N 0 0 325.412 2.340 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 ZINC000096066234 463164128 /nfs/dbraw/zinc/16/41/28/463164128.db2.gz FMSVBNASOBINMH-RRQGHBQHSA-N 0 0 327.384 2.293 40 0 EEABRN Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2[C@H]1C ZINC000096070146 463165413 /nfs/dbraw/zinc/16/54/13/463165413.db2.gz ZXAQMVAQBZRGOU-CYBMUJFWSA-N 0 0 326.404 2.310 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072454 463168018 /nfs/dbraw/zinc/16/80/18/463168018.db2.gz GRMMOZAKZCIDSK-YJBOKZPZSA-N 0 0 343.383 2.139 40 0 EEABRN Cc1cc(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)[nH]n1 ZINC000096077398 463169577 /nfs/dbraw/zinc/16/95/77/463169577.db2.gz VBZKYANWUPMCHF-IBGZPJMESA-N 0 0 338.411 2.296 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccs1)c1ccno1 ZINC000096082668 463170245 /nfs/dbraw/zinc/17/02/45/463170245.db2.gz ZGKXWZXDKAKFHJ-JGGQBBKZSA-N 0 0 347.440 2.146 40 0 EEABRN COc1ccc(CNC(=O)NCCn2ccc(C(F)(F)F)n2)cc1 ZINC000096099044 463171926 /nfs/dbraw/zinc/17/19/26/463171926.db2.gz LFFZEVDMKUIMRE-UHFFFAOYSA-N 0 0 342.321 2.410 40 0 EEABRN CC(C)c1cc(C(=O)NCCCn2cccn2)nc(N2CCCC2)n1 ZINC000096101243 463172718 /nfs/dbraw/zinc/17/27/18/463172718.db2.gz KTBQUDRWVKTOTQ-UHFFFAOYSA-N 0 0 342.447 2.217 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(C)o1 ZINC000096108841 463176928 /nfs/dbraw/zinc/17/69/28/463176928.db2.gz RBCKBYYTDSVVHK-BEFAXECRSA-N 0 0 342.395 2.459 40 0 EEABRN COCc1cnc2n1CCN(C(=O)COc1ccccc1C)[C@H]2C ZINC000096109616 463178603 /nfs/dbraw/zinc/17/86/03/463178603.db2.gz SNKZJUMETNJWHX-AWEZNQCLSA-N 0 0 329.400 2.320 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 ZINC000096159163 463190430 /nfs/dbraw/zinc/19/04/30/463190430.db2.gz ITQYBBPMSUHZGU-UHFFFAOYSA-N 0 0 346.408 2.379 40 0 EEABRN CCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2c2nccs2)C1 ZINC000096185718 463196941 /nfs/dbraw/zinc/19/69/41/463196941.db2.gz BTOSKKGPWNFFRD-ILXRZTDVSA-N 0 0 345.472 2.246 40 0 EEABRN Cc1cc(CN2C[C@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)oc1C ZINC000096186898 463199243 /nfs/dbraw/zinc/19/92/43/463199243.db2.gz NLFVGDLLSSIGOD-ZMSDIMECSA-N 0 0 345.399 2.046 40 0 EEABRN O=C1CCCN1C[C@H]1Cn2ccnc2CN(Cc2cccs2)C1 ZINC000096188410 463200660 /nfs/dbraw/zinc/20/06/60/463200660.db2.gz QNJIAJBBFQIEOU-CQSZACIVSA-N 0 0 330.457 2.199 40 0 EEABRN O=C([O-])c1cc2c(nc1-c1ccoc1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096189585 463201091 /nfs/dbraw/zinc/20/10/91/463201091.db2.gz OGRKIBAVKQOUKV-ZDUSSCGKSA-N 0 0 342.395 2.477 40 0 EEABRN O=C(c1ccco1)N1CCN(CCn2cccn2)c2ncccc2C1 ZINC000096198990 463204872 /nfs/dbraw/zinc/20/48/72/463204872.db2.gz REQWHRFFUXNNNC-UHFFFAOYSA-N 0 0 337.383 2.034 40 0 EEABRN COC[C@@H]1Cn2cncc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096209254 463212270 /nfs/dbraw/zinc/21/22/70/463212270.db2.gz PVFUHBJSXQZCFU-INIZCTEOSA-N 0 0 339.439 2.293 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000096219197 463216368 /nfs/dbraw/zinc/21/63/68/463216368.db2.gz DYXDXSKRAVXKAK-KDOFPFPSSA-N 0 0 342.374 2.101 40 0 EEABRN O=C(COc1ccccc1)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028284174 463221860 /nfs/dbraw/zinc/22/18/60/463221860.db2.gz ZLIVRAWJKTZYQF-ZIAGYGMSSA-N 0 0 348.424 2.188 40 0 EEABRN CC(C)C(=O)N1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244290 463225933 /nfs/dbraw/zinc/22/59/33/463225933.db2.gz SJKMTAAFUXXPRQ-LJQANCHMSA-N 0 0 338.411 2.195 40 0 EEABRN COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000096245821 463226794 /nfs/dbraw/zinc/22/67/94/463226794.db2.gz JPNDGEDIERVUBM-KGLIPLIRSA-N 0 0 337.807 2.194 40 0 EEABRN COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000096245819 463226888 /nfs/dbraw/zinc/22/68/88/463226888.db2.gz JPNDGEDIERVUBM-ZIAGYGMSSA-N 0 0 337.807 2.194 40 0 EEABRN C[C@H](OC[C@H]1CCCO1)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000096402375 463237031 /nfs/dbraw/zinc/23/70/31/463237031.db2.gz FIYSTXVILLSJMQ-MAUKXSAKSA-N 0 0 343.427 2.132 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc2ccccc21 ZINC000096375455 463237454 /nfs/dbraw/zinc/23/74/54/463237454.db2.gz UPIMKWLDRVCZGA-XYPWUTKMSA-N 0 0 346.452 2.208 40 0 EEABRN CCOc1ccccc1NC(=O)N1CC(S(=O)(=O)CC(C)C)C1 ZINC000096380204 463237594 /nfs/dbraw/zinc/23/75/94/463237594.db2.gz CIOZBJSAEZWBMQ-UHFFFAOYSA-N 0 0 340.445 2.372 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000096408924 463242691 /nfs/dbraw/zinc/24/26/91/463242691.db2.gz QZODHIMRSVYHEY-DEOSSOPVSA-N 0 0 349.456 2.382 40 0 EEABRN CCc1nc(C)ncc1C(=O)N(C)C1CCN(c2ccccn2)CC1 ZINC000096410974 463244152 /nfs/dbraw/zinc/24/41/52/463244152.db2.gz QTXKRNMJPVRISJ-UHFFFAOYSA-N 0 0 339.443 2.483 40 0 EEABRN O=C(NCCOc1cccc(Cl)c1)NCC[C@@H](O)C(F)(F)F ZINC000096413286 463246025 /nfs/dbraw/zinc/24/60/25/463246025.db2.gz GUDFJKIUVUBBCF-LLVKDONJSA-N 0 0 340.729 2.331 40 0 EEABRN Cc1ccc(OC[C@@H](C)NC(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000096413302 463246204 /nfs/dbraw/zinc/24/62/04/463246204.db2.gz WNXOHFSGDRXFKS-YPMHNXCESA-N 0 0 334.338 2.375 40 0 EEABRN CCc1noc(CN(C)C(=O)c2cccc(Nc3cnccn3)c2)n1 ZINC000096414395 463246803 /nfs/dbraw/zinc/24/68/03/463246803.db2.gz IWPSHJPSUUADDC-UHFFFAOYSA-N 0 0 338.371 2.438 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000096418266 463250829 /nfs/dbraw/zinc/25/08/29/463250829.db2.gz FSRCGZATULORIX-WBAXXEDZSA-N 0 0 344.455 2.277 40 0 EEABRN Cc1cc([C@H](C)NC(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)s1 ZINC000096421428 463253149 /nfs/dbraw/zinc/25/31/49/463253149.db2.gz GHRABHQKFNEADS-MEDUHNTESA-N 0 0 336.461 2.366 40 0 EEABRN CCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423812 463253859 /nfs/dbraw/zinc/25/38/59/463253859.db2.gz RGIITYSQDVFIAB-ZDUSSCGKSA-N 0 0 337.851 2.341 40 0 EEABRN CC[C@@](C)(NC(=O)c1nc2nccc(C)n2n1)c1nc(C)cs1 ZINC000096423328 463253977 /nfs/dbraw/zinc/25/39/77/463253977.db2.gz IMMARDOULYOVSR-OAHLLOKOSA-N 0 0 330.417 2.253 40 0 EEABRN CC(C)(C)c1ccccc1S(=O)(=O)NCCc1nncn1C1CC1 ZINC000096428088 463258380 /nfs/dbraw/zinc/25/83/80/463258380.db2.gz AAPKQEJOAOOBQA-UHFFFAOYSA-N 0 0 348.472 2.432 40 0 EEABRN Cc1nccn1CCCCNS(=O)(=O)c1ccc(F)cc1C ZINC000096428253 463258397 /nfs/dbraw/zinc/25/83/97/463258397.db2.gz JDZIJMYVIPAWAX-UHFFFAOYSA-N 0 0 325.409 2.398 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc3cc[nH]c32)C1 ZINC000096430676 463260238 /nfs/dbraw/zinc/26/02/38/463260238.db2.gz FFMSFIKGBOLLDN-HIFRSBDPSA-N 0 0 343.427 2.171 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000096439833 463266316 /nfs/dbraw/zinc/26/63/16/463266316.db2.gz HIZASNBKPUTNTK-CABCVRRESA-N 0 0 345.472 2.490 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3cccc(F)c3F)CC2)S1 ZINC000096443767 463268549 /nfs/dbraw/zinc/26/85/49/463268549.db2.gz FLMYMLMULDYUCZ-SNVBAGLBSA-N 0 0 325.384 2.214 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCCCCc2cnn(C)c2)C12CCC2 ZINC000096444015 463269638 /nfs/dbraw/zinc/26/96/38/463269638.db2.gz FRCWDLWZGZMWQZ-HZPDHXFCSA-N 0 0 334.464 2.390 40 0 EEABRN CS(=O)(=O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096447097 463271163 /nfs/dbraw/zinc/27/11/63/463271163.db2.gz GVEWTSGFNPSXME-CYBMUJFWSA-N 0 0 337.363 2.123 40 0 EEABRN O=C(c1cccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000096452749 463272991 /nfs/dbraw/zinc/27/29/91/463272991.db2.gz BWTCPKBLCIJKNB-UHFFFAOYSA-N 0 0 336.438 2.427 40 0 EEABRN CC(=O)N[C@@H]1CCCN(c2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000096453555 463274544 /nfs/dbraw/zinc/27/45/44/463274544.db2.gz AAXLYKZLWPVSNH-CQSZACIVSA-N 0 0 329.404 2.360 40 0 EEABRN O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccncc1F ZINC000096455962 463275317 /nfs/dbraw/zinc/27/53/17/463275317.db2.gz GYPMQEMZIQICLB-KRWDZBQOSA-N 0 0 341.386 2.184 40 0 EEABRN CSCC[C@@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000096455093 463275477 /nfs/dbraw/zinc/27/54/77/463275477.db2.gz AOPWLBJDTWOZME-GHMZBOCLSA-N 0 0 327.416 2.406 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000096473386 463279085 /nfs/dbraw/zinc/27/90/85/463279085.db2.gz UZGXWVOABFDCDO-NEPJUHHUSA-N 0 0 333.392 2.221 40 0 EEABRN Cn1cc(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cn1 ZINC000096487439 463285444 /nfs/dbraw/zinc/28/54/44/463285444.db2.gz XDDBGNSYKAIEDX-INIZCTEOSA-N 0 0 346.387 2.022 40 0 EEABRN Cc1cc(C(=O)OCCn2cncn2)nn1-c1ccccc1Cl ZINC000096494121 463288345 /nfs/dbraw/zinc/28/83/45/463288345.db2.gz SZVVFOZSUDRWOD-UHFFFAOYSA-N 0 0 331.763 2.283 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](C)[S@@](C)=O)nn1-c1cc(C)cc(C)c1 ZINC000096495200 463288820 /nfs/dbraw/zinc/28/88/20/463288820.db2.gz HBLAELCHRJTNIS-FATZIPQQSA-N 0 0 333.457 2.294 40 0 EEABRN Cc1nc(CNC(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)s1 ZINC000096500585 463290235 /nfs/dbraw/zinc/29/02/35/463290235.db2.gz GJEXDAMGOOFHJQ-UHFFFAOYSA-N 0 0 338.477 2.160 40 0 EEABRN Cn1cc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000096500855 463291884 /nfs/dbraw/zinc/29/18/84/463291884.db2.gz UMDXVKMHDSMFTJ-AWEZNQCLSA-N 0 0 338.333 2.112 40 0 EEABRN COc1cccc(CNS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000030290226 463292531 /nfs/dbraw/zinc/29/25/31/463292531.db2.gz GIANTGWIVXAQJI-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000096503246 463292760 /nfs/dbraw/zinc/29/27/60/463292760.db2.gz LRJJYBFKSUIGBU-NSHDSACASA-N 0 0 333.440 2.118 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000096502582 463292781 /nfs/dbraw/zinc/29/27/81/463292781.db2.gz RGDSZXOSJWXUOS-IIAWOOMASA-N 0 0 328.416 2.019 40 0 EEABRN NC(=O)[C@@H]1Nc2ccc(Cl)cc2[C@H]1S(=O)(=O)c1ccccc1 ZINC000096865408 463300708 /nfs/dbraw/zinc/30/07/08/463300708.db2.gz SLAXPQTVSBFEQX-ZIAGYGMSSA-N 0 0 336.800 2.134 40 0 EEABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C=O)CC1 ZINC000030850910 463313450 /nfs/dbraw/zinc/31/34/50/463313450.db2.gz SPQMCXWSSCMDGH-SFHVURJKSA-N 0 0 326.396 2.298 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000055548083 463330693 /nfs/dbraw/zinc/33/06/93/463330693.db2.gz UJHXRCAVKRCIRU-UHFFFAOYSA-N 0 0 339.344 2.178 40 0 EEABRN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC(=O)N(N)C2=O ZINC000033919780 463425182 /nfs/dbraw/zinc/42/51/82/463425182.db2.gz HDOMUOSSPZHKBI-XJCMGKNESA-N 0 0 332.444 2.149 40 0 EEABRN CN(CC(=O)N1Cc2ccccc2-c2ccccc2C1)S(C)(=O)=O ZINC000072078355 463482402 /nfs/dbraw/zinc/48/24/02/463482402.db2.gz ZKISATJUSNNFAO-UHFFFAOYSA-N 0 0 344.436 2.087 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241335 463486975 /nfs/dbraw/zinc/48/69/75/463486975.db2.gz GZTJFKZKPUGAMO-HOTGVXAUSA-N 0 0 336.819 2.297 40 0 EEABRN Cc1cc(-c2cnc(NCCN3CCOCC3)nc2C(C)C)on1 ZINC000072341122 463510214 /nfs/dbraw/zinc/51/02/14/463510214.db2.gz PYOXWLKQPOSBRC-UHFFFAOYSA-N 0 0 331.420 2.308 40 0 EEABRN Cc1nc(COC[C@H]2Cn3nccc3CN([C@H]3CCOC3)C2)cs1 ZINC000107210912 463561154 /nfs/dbraw/zinc/56/11/54/463561154.db2.gz WPPPUARNUCANRV-PBHICJAKSA-N 0 0 348.472 2.086 40 0 EEABRN CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000107204859 463561441 /nfs/dbraw/zinc/56/14/41/463561441.db2.gz XUULRXRUQGIDFQ-KKUMJFAQSA-N 0 0 333.384 2.214 40 0 EEABRN Cc1cnc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)CC2)cn1 ZINC000108535763 463612106 /nfs/dbraw/zinc/61/21/06/463612106.db2.gz HCNHWOCCNXBXNO-UHFFFAOYSA-N 0 0 338.415 2.072 40 0 EEABRN O[C@@H]1O[C@H]([C@@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000165124692 463640545 /nfs/dbraw/zinc/64/05/45/463640545.db2.gz DBZINKYMMNBMIR-XFIYOXNOSA-N 0 0 340.416 2.224 40 0 EEABRN O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)c1cnn2c1CCCC2 ZINC000165508042 463644335 /nfs/dbraw/zinc/64/43/35/463644335.db2.gz YAVAYXYJGLUCIU-AWEZNQCLSA-N 0 0 337.782 2.475 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc3c(c2)COCO3)n1 ZINC000073702400 463644402 /nfs/dbraw/zinc/64/44/02/463644402.db2.gz LJVBJRJIMOQVJQ-LBPRGKRZSA-N 0 0 329.400 2.433 40 0 EEABRN Cc1c(C(=O)Nc2cc(F)ccc2C)cnn1-c1ccc(=O)[nH]n1 ZINC000073751262 463652434 /nfs/dbraw/zinc/65/24/34/463652434.db2.gz ZGXRUJQWYKIHSG-UHFFFAOYSA-N 0 0 327.319 2.376 40 0 EEABRN COc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1 ZINC000044158483 463668885 /nfs/dbraw/zinc/66/88/85/463668885.db2.gz MNWVUYAKMPSQCX-UHFFFAOYSA-N 0 0 328.206 2.493 40 0 EEABRN O=c1cc(N2CCN(c3nc4ccccc4o3)CC2)nc2ccccn12 ZINC000170982021 463754311 /nfs/dbraw/zinc/75/43/11/463754311.db2.gz JDGVNEWSSLZJBW-UHFFFAOYSA-N 0 0 347.378 2.162 40 0 EEABRN O=C(c1cncs1)N1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257212431 463755855 /nfs/dbraw/zinc/75/58/55/463755855.db2.gz CDKGTCNGUZFAAO-LLVKDONJSA-N 0 0 329.385 2.259 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)[C@H](c2ccccc2)C1 ZINC000257228618 463756411 /nfs/dbraw/zinc/75/64/11/463756411.db2.gz FUOWDDWYHKDFCS-SFHVURJKSA-N 0 0 341.411 2.266 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)c1cnc(C(C)C)nc1 ZINC000257233262 463758597 /nfs/dbraw/zinc/75/85/97/463758597.db2.gz GOMZVUAHRRSKDO-MRXNPFEDSA-N 0 0 340.427 2.395 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)[C@@H]4CCCCO4)CC3)ccn2n1 ZINC000257280899 463760151 /nfs/dbraw/zinc/76/01/51/463760151.db2.gz OMVSQFQZRQHWHS-INIZCTEOSA-N 0 0 328.416 2.313 40 0 EEABRN CCCc1ncc(CN2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000257289124 463762539 /nfs/dbraw/zinc/76/25/39/463762539.db2.gz PXBDAPKRVWIWKB-LJQANCHMSA-N 0 0 346.475 2.079 40 0 EEABRN Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000257288098 463763691 /nfs/dbraw/zinc/76/36/91/463763691.db2.gz PSUWETNGGLDWAT-INIZCTEOSA-N 0 0 339.399 2.058 40 0 EEABRN CO[C@@H]1CCCOC12CCN(C(=O)c1cnc(C(C)C)nc1)CC2 ZINC000257308943 463771467 /nfs/dbraw/zinc/77/14/67/463771467.db2.gz TYVVUUYUEWRQOC-OAHLLOKOSA-N 0 0 333.432 2.400 40 0 EEABRN CN(C)c1nc([C@@H]2CCCN2C(=O)C2CCOCC2)cn2cccc12 ZINC000257308407 463771973 /nfs/dbraw/zinc/77/19/73/463771973.db2.gz TWPNIKAUMHZHRR-INIZCTEOSA-N 0 0 342.443 2.490 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)Cc2ccsc2)n1 ZINC000257316551 463774909 /nfs/dbraw/zinc/77/49/09/463774909.db2.gz VGBFBLFUMCEUJD-INIZCTEOSA-N 0 0 344.440 2.080 40 0 EEABRN Cc1cnc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329094 463780109 /nfs/dbraw/zinc/78/01/09/463780109.db2.gz XIJHTEFHPLGXEG-GOSISDBHSA-N 0 0 327.384 2.130 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000257328127 463780173 /nfs/dbraw/zinc/78/01/73/463780173.db2.gz XEGXJUIATKWKIZ-CYBMUJFWSA-N 0 0 329.404 2.218 40 0 EEABRN CCCn1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 ZINC000257341204 463786012 /nfs/dbraw/zinc/78/60/12/463786012.db2.gz ZJIBAFTYZDIKLB-OAHLLOKOSA-N 0 0 329.404 2.255 40 0 EEABRN CC(C)Oc1ccc([C@H]2CN(C(=O)Cc3cnc[nH]3)CCN2C)cc1 ZINC000257339890 463786035 /nfs/dbraw/zinc/78/60/35/463786035.db2.gz ZDPGDWUOBNJZGZ-GOSISDBHSA-N 0 0 342.443 2.255 40 0 EEABRN CCc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260900052 463793700 /nfs/dbraw/zinc/79/37/00/463793700.db2.gz RYMYUCCTLVXWFX-CYBMUJFWSA-N 0 0 326.462 2.176 40 0 EEABRN O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CCc2c1cccc2Cl ZINC000185835103 463887666 /nfs/dbraw/zinc/88/76/66/463887666.db2.gz QJUOKJFMRCFMHJ-GFCCVEGCSA-N 0 0 339.844 2.444 40 0 EEABRN CCn1cc(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cn1 ZINC000186186071 463948860 /nfs/dbraw/zinc/94/88/60/463948860.db2.gz NHRJFEXZUWNVCT-MRXNPFEDSA-N 0 0 330.388 2.138 40 0 EEABRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000195563120 464077147 /nfs/dbraw/zinc/07/71/47/464077147.db2.gz RVPHDZDELWQOQM-MJGOQNOKSA-N 0 0 341.455 2.491 40 0 EEABRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000195563116 464077682 /nfs/dbraw/zinc/07/76/82/464077682.db2.gz YVDAFHKUYLQJIN-ROUUACIJSA-N 0 0 341.455 2.491 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1cccnc1 ZINC000222900327 464135018 /nfs/dbraw/zinc/13/50/18/464135018.db2.gz KFELZSNIELCMAG-CYBMUJFWSA-N 0 0 329.375 2.274 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000223291671 464141059 /nfs/dbraw/zinc/14/10/59/464141059.db2.gz XIEWOHFHJQAWJP-JLHYYAGUSA-N 0 0 344.436 2.267 40 0 EEABRN O=C(Nc1nncs1)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223372669 464142488 /nfs/dbraw/zinc/14/24/88/464142488.db2.gz NSYFRCYUAVBNPI-CYBMUJFWSA-N 0 0 341.396 2.149 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 ZINC000223672786 464145171 /nfs/dbraw/zinc/14/51/71/464145171.db2.gz DIICBDKBVLAFOP-JKSUJKDBSA-N 0 0 344.440 2.254 40 0 EEABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 ZINC000223706752 464146531 /nfs/dbraw/zinc/14/65/31/464146531.db2.gz KDXJKDPUOFQUDM-HOTGVXAUSA-N 0 0 344.440 2.254 40 0 EEABRN O=C(NCCOCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000224123674 464147846 /nfs/dbraw/zinc/14/78/46/464147846.db2.gz RPBRBXDKQVWPHA-UHFFFAOYSA-N 0 0 340.423 2.470 40 0 EEABRN CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000224056921 464148900 /nfs/dbraw/zinc/14/89/00/464148900.db2.gz SZIXDNISDRNDGX-UHFFFAOYSA-N 0 0 344.502 2.334 40 0 EEABRN COc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1OC ZINC000224246406 464149616 /nfs/dbraw/zinc/14/96/16/464149616.db2.gz KFDXXFSGLQTXSZ-UHFFFAOYSA-N 0 0 328.372 2.346 40 0 EEABRN Cc1nc(C(=O)N2CCN(c3ncncc3Cl)CC2)c(C)s1 ZINC000225547742 464171099 /nfs/dbraw/zinc/17/10/99/464171099.db2.gz ZIXHNDDQWXDLDE-UHFFFAOYSA-N 0 0 337.836 2.166 40 0 EEABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000225559452 464172108 /nfs/dbraw/zinc/17/21/08/464172108.db2.gz OVYSPDSSXGDEDE-SFHVURJKSA-N 0 0 344.455 2.447 40 0 EEABRN COCCn1cc(CNC(=O)N[C@H](C)c2cccc(F)c2F)cn1 ZINC000225698125 464181170 /nfs/dbraw/zinc/18/11/70/464181170.db2.gz QDRYNAPQKIVZBG-LLVKDONJSA-N 0 0 338.358 2.368 40 0 EEABRN CC(C)(CNC(=O)c1cccc(Br)c1Cl)C(N)=O ZINC000180125815 464247610 /nfs/dbraw/zinc/24/76/10/464247610.db2.gz FXDUVZLVBNRSTO-UHFFFAOYSA-N 0 0 333.613 2.344 40 0 EEABRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC3=NO[C@H](C)C3)C2)c1 ZINC000240707731 464448267 /nfs/dbraw/zinc/44/82/67/464448267.db2.gz HQDSSPYJDVMROJ-ZIAGYGMSSA-N 0 0 344.415 2.477 40 0 EEABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)NC(C)(C)C)CC1 ZINC000244413977 464460535 /nfs/dbraw/zinc/46/05/35/464460535.db2.gz YPQDCXITKOOTAF-UHFFFAOYSA-N 0 0 348.443 2.471 40 0 EEABRN O=C(NCc1c(F)cccc1F)c1ccnc(O[C@H]2CCOC2)c1 ZINC000244975307 464466550 /nfs/dbraw/zinc/46/65/50/464466550.db2.gz IKQZVSYDTTVJCO-LBPRGKRZSA-N 0 0 334.322 2.458 40 0 EEABRN Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000189605109 464531478 /nfs/dbraw/zinc/53/14/78/464531478.db2.gz MTQQEHDVBFUXKB-ZDUSSCGKSA-N 0 0 328.420 2.228 40 0 EEABRN O=C(C1CCSCC1)N1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000247849139 464709459 /nfs/dbraw/zinc/70/94/59/464709459.db2.gz HZVAQZYGBRZEOC-HNNXBMFYSA-N 0 0 348.468 2.221 40 0 EEABRN Cc1csc(CN2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)n1 ZINC000247962055 464717867 /nfs/dbraw/zinc/71/78/67/464717867.db2.gz OZGMDLKEJNAOMU-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000248009322 464722865 /nfs/dbraw/zinc/72/28/65/464722865.db2.gz INXKKIVQVYECGT-MRXNPFEDSA-N 0 0 349.427 2.405 40 0 EEABRN Cc1ncsc1CN1CCn2cc(CC(=O)NC(C)C)nc2[C@H]1C ZINC000248012828 464722875 /nfs/dbraw/zinc/72/28/75/464722875.db2.gz GRRGTEOKCFWUHX-CYBMUJFWSA-N 0 0 347.488 2.292 40 0 EEABRN Cc1ccccc1CN1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O ZINC000248166297 464736490 /nfs/dbraw/zinc/73/64/90/464736490.db2.gz RMZPRHXMWNJGSV-GOSISDBHSA-N 0 0 349.496 2.411 40 0 EEABRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccnc(O[C@H]2CCOC2)c1 ZINC000248619848 464773302 /nfs/dbraw/zinc/77/33/02/464773302.db2.gz ZXGOIMOARDHRGC-QNDJGXFYSA-N 0 0 336.391 2.317 40 0 EEABRN CCc1nnc(CS(=O)(=O)Cc2ccc(OC)c(Cl)c2)[nH]1 ZINC000191088160 464774756 /nfs/dbraw/zinc/77/47/56/464774756.db2.gz SKSHMQICAGVBBD-UHFFFAOYSA-N 0 0 329.809 2.144 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@@H](C)C[S@](C)=O ZINC000248640051 464777483 /nfs/dbraw/zinc/77/74/83/464777483.db2.gz LYPOOONPOOTHNM-ZSDPLGQISA-N 0 0 338.473 2.181 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCOC[C@@H]2C[C@H](C)O)c1 ZINC000248719124 464791440 /nfs/dbraw/zinc/79/14/40/464791440.db2.gz LIFSSYZBXDKPHR-BQFCYCMXSA-N 0 0 334.460 2.416 40 0 EEABRN C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000176701538 464829085 /nfs/dbraw/zinc/82/90/85/464829085.db2.gz RQDSULWSYVIOOC-LBPRGKRZSA-N 0 0 333.413 2.444 40 0 EEABRN CO[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000282523617 464850374 /nfs/dbraw/zinc/85/03/74/464850374.db2.gz LYWBVJHJFFXPEB-OCCSQVGLSA-N 0 0 325.430 2.200 40 0 EEABRN CCN1CN(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C)CC1=O ZINC000192348569 464910702 /nfs/dbraw/zinc/91/07/02/464910702.db2.gz RXJXDXMBLDEMQA-UHFFFAOYSA-N 0 0 347.806 2.488 40 0 EEABRN COCC1(CNC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CCC1 ZINC000252491827 464966454 /nfs/dbraw/zinc/96/64/54/464966454.db2.gz LVOYLWALGKGJSR-CQSZACIVSA-N 0 0 343.431 2.444 40 0 EEABRN C[C@@H](c1cccnc1)N(C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000252497049 464969069 /nfs/dbraw/zinc/96/90/69/464969069.db2.gz PXYGLLDBIFEONS-WMLDXEAASA-N 0 0 348.472 2.005 40 0 EEABRN Cc1ccc(NC(=O)CCNC(=O)N(C)CCCO)c(Cl)c1 ZINC000252495787 464969430 /nfs/dbraw/zinc/96/94/30/464969430.db2.gz PADMOWLAJKOYHT-UHFFFAOYSA-N 0 0 327.812 2.001 40 0 EEABRN CCn1ncnc1C[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000252497118 464969663 /nfs/dbraw/zinc/96/96/63/464969663.db2.gz PZMVTSCWTVGGHR-MJGOQNOKSA-N 0 0 341.459 2.374 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2nccc(N)n2)[C@@H](C)C1 ZINC000252536478 464980954 /nfs/dbraw/zinc/98/09/54/464980954.db2.gz IRLPKVLGEFTFKS-HNNXBMFYSA-N 0 0 341.459 2.164 40 0 EEABRN O=S(=O)(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccs1 ZINC000252538335 464981046 /nfs/dbraw/zinc/98/10/46/464981046.db2.gz MYALAKICUGUPBE-HAQNSBGRSA-N 0 0 339.442 2.207 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)[C@@](C)(O)CCc1ccccc1)CC2 ZINC000253392296 464997769 /nfs/dbraw/zinc/99/77/69/464997769.db2.gz QVMDITCOHVZZLC-APWZRJJASA-N 0 0 345.439 2.172 40 0 EEABRN CCc1cnc(CCNC(=O)N2CCC[C@@H]2c2noc(C)n2)s1 ZINC000253418044 465006338 /nfs/dbraw/zinc/00/63/38/465006338.db2.gz WTRQHBHKCZYQPM-GFCCVEGCSA-N 0 0 335.433 2.486 40 0 EEABRN O=C(CCc1cnccn1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000253427438 465011632 /nfs/dbraw/zinc/01/16/32/465011632.db2.gz AUKMXVBSLCZKBD-AWEZNQCLSA-N 0 0 330.363 2.013 40 0 EEABRN CCc1nnc2ccc(N[C@H]3CCN(c4ncccc4Cl)C3)nn21 ZINC000253430597 465013191 /nfs/dbraw/zinc/01/31/91/465013191.db2.gz KCLXSCLLXFORAH-NSHDSACASA-N 0 0 343.822 2.426 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)o1 ZINC000253431095 465013231 /nfs/dbraw/zinc/01/32/31/465013231.db2.gz OBTJQDOZHCIZLV-CYBMUJFWSA-N 0 0 347.419 2.144 40 0 EEABRN O=C(Nc1ccn(CC(F)F)n1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000329923524 465475594 /nfs/dbraw/zinc/47/55/94/465475594.db2.gz IMNVGAGQQYWCBD-QGZVFWFLSA-N 0 0 348.353 2.812 40 0 EEABRN CNC(=O)COc1cccc(Oc2nccc(C(F)(F)F)n2)c1 ZINC000301975088 466070784 /nfs/dbraw/zinc/07/07/84/466070784.db2.gz VRGXBCLBLOEZEG-UHFFFAOYSA-N 0 0 327.262 2.413 40 0 EEABRN O=C(c1ccoc1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000306126810 466489791 /nfs/dbraw/zinc/48/97/91/466489791.db2.gz FFVUKMFTJOJUBB-IKGGRYGDSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(C1CC1)N1C[C@H]2c3cc(-c4ccco4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306135014 466492356 /nfs/dbraw/zinc/49/23/56/466492356.db2.gz OEQXSJAZXOZQLH-YOEHRIQHSA-N 0 0 343.404 2.438 40 0 EEABRN Cc1cc(CN2Cc3cncn3[C@@H](COc3ccccn3)C2)no1 ZINC000306138057 466493687 /nfs/dbraw/zinc/49/36/87/466493687.db2.gz RNWBCOGMVGACAA-MRXNPFEDSA-N 0 0 325.372 2.210 40 0 EEABRN CC(C)CC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000408533956 466680559 /nfs/dbraw/zinc/68/05/59/466680559.db2.gz PQMUSBRHYSGKNG-UHFFFAOYSA-N 0 0 330.432 2.462 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000408548098 466681537 /nfs/dbraw/zinc/68/15/37/466681537.db2.gz DITJZLCVXXHICI-ONNFQVAWSA-N 0 0 329.139 2.059 40 0 EEABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O ZINC000408918175 466684202 /nfs/dbraw/zinc/68/42/02/466684202.db2.gz HETMXIDWWBAMMO-AWNIVKPZSA-N 0 0 349.364 2.323 40 0 EEABRN CCN(CC)C(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000409197342 466686373 /nfs/dbraw/zinc/68/63/73/466686373.db2.gz CDIRLYMAWWIANQ-UHFFFAOYSA-N 0 0 326.462 2.174 40 0 EEABRN COc1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)cc1OCCO ZINC000390833021 467414146 /nfs/dbraw/zinc/41/41/46/467414146.db2.gz ATHVMIFAXCEHFQ-XMMPIXPASA-N 0 0 349.408 2.056 40 0 EEABRN CN(C)S(=O)(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000390834536 467414719 /nfs/dbraw/zinc/41/47/19/467414719.db2.gz AXHHAMZPUOBOCD-CQSZACIVSA-N 0 0 332.853 2.204 40 0 EEABRN Cc1cc(Br)oc1C(=O)N1CC(n2nc(C)nc2C)C1 ZINC000408067467 467504100 /nfs/dbraw/zinc/50/41/00/467504100.db2.gz LOMHMHUSMXDKPQ-UHFFFAOYSA-N 0 0 339.193 2.256 40 0 EEABRN O=C([O-])C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514289339 467941696 /nfs/dbraw/zinc/94/16/96/467941696.db2.gz QPKUFWUKOZITLU-KBPBESRZSA-N 0 0 328.416 2.323 40 0 biogenic,in-vitro EEABRN O=C(N1CC2(C1)C[C@H](OCc1cccnc1)CCO2)C1(F)CCC1 ZINC000575405676 468141362 /nfs/dbraw/zinc/14/13/62/468141362.db2.gz UBRYDLLHIJHVBG-OAHLLOKOSA-N 0 0 334.391 2.250 40 0 EEABRN CCOCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1 ZINC000575403879 468141607 /nfs/dbraw/zinc/14/16/07/468141607.db2.gz IFWFMNUDJBPDIE-SFHVURJKSA-N 0 0 343.427 2.156 40 0 EEABRN O=C(NCCn1nc(C2CC2)ccc1=O)Nc1c(F)cccc1F ZINC000575606735 468146319 /nfs/dbraw/zinc/14/63/19/468146319.db2.gz FEHMEGCMDKYHAS-UHFFFAOYSA-N 0 0 334.326 2.221 40 0 EEABRN COC[C@@H](NS(=O)(=O)c1cnc(C)s1)c1cccc(OC)c1 ZINC000585091982 468962691 /nfs/dbraw/zinc/96/26/91/468962691.db2.gz YVWCRSMDWAIDNW-CYBMUJFWSA-N 0 0 342.442 2.126 40 0 EEABRN c1coc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)c1 ZINC000585096742 468964173 /nfs/dbraw/zinc/96/41/73/468964173.db2.gz BTOVBWBVLFXDTD-HNNXBMFYSA-N 0 0 325.372 2.120 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCC2(CN(CC3CC3)C2=O)CC1 ZINC000585099465 468967453 /nfs/dbraw/zinc/96/74/53/468967453.db2.gz LVECUTLLYRUMNF-UHFFFAOYSA-N 0 0 329.400 2.027 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585104494 468971962 /nfs/dbraw/zinc/97/19/62/468971962.db2.gz JFCIJTYNPZLDRL-HNNXBMFYSA-N 0 0 341.436 2.394 40 0 EEABRN Cc1nocc1C(=O)N1CC[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC000585106920 468972519 /nfs/dbraw/zinc/97/25/19/468972519.db2.gz LHQWRJVXBJZHMK-LPHOPBHVSA-N 0 0 339.395 2.071 40 0 EEABRN O=C(N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1)C1(F)CC1 ZINC000585109530 468973711 /nfs/dbraw/zinc/97/37/11/468973711.db2.gz VZVVPISZOMENPH-ULQDDVLXSA-N 0 0 330.403 2.118 40 0 EEABRN COc1ccc(-c2n[nH]c3c2CCN(C(=O)[C@H]2CCCO2)CC3)cc1 ZINC000585110303 468973756 /nfs/dbraw/zinc/97/37/56/468973756.db2.gz BVUHYCRQYRIOQP-QGZVFWFLSA-N 0 0 341.411 2.192 40 0 EEABRN CCCCNC(=O)C1(NC(=O)c2ccn(C)c(=O)c2)CCCCCC1 ZINC000585140531 468989107 /nfs/dbraw/zinc/98/91/07/468989107.db2.gz GOKPCLDRQQUXPN-UHFFFAOYSA-N 0 0 347.459 2.124 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCCc2nc3cccnc3[nH]2)cc1 ZINC000585142000 468991382 /nfs/dbraw/zinc/99/13/82/468991382.db2.gz LGJLWWCHGUZRHD-UHFFFAOYSA-N 0 0 330.413 2.177 40 0 EEABRN CN(C)c1nc([C@@H]2CCN(C(=O)c3ccccn3)C2)cn2cccc12 ZINC000585182411 468996074 /nfs/dbraw/zinc/99/60/74/468996074.db2.gz LSUBLAFFNHFKQG-CQSZACIVSA-N 0 0 335.411 2.425 40 0 EEABRN O=C(C1CCC1)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000585182585 468996106 /nfs/dbraw/zinc/99/61/06/468996106.db2.gz ZPILOOIQZOVXOZ-ZDUSSCGKSA-N 0 0 325.416 2.448 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2nccn2C)[C@H]1Cc1ccc(F)cc1 ZINC000585277008 469001616 /nfs/dbraw/zinc/00/16/16/469001616.db2.gz KZYJYFPMNKJCSG-HOTGVXAUSA-N 0 0 331.391 2.422 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)nc1 ZINC000585277490 469002314 /nfs/dbraw/zinc/00/23/14/469002314.db2.gz VPIWYFHYMDRKGJ-LJQANCHMSA-N 0 0 344.386 2.114 40 0 EEABRN CO[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279891 469006301 /nfs/dbraw/zinc/00/63/01/469006301.db2.gz SOOLEMGGAJSFAO-PBHICJAKSA-N 0 0 331.391 2.279 40 0 EEABRN CO[C@]1(CCC(=O)NCCc2ccccc2C)CCCN(C(C)=O)C1 ZINC000585281036 469007477 /nfs/dbraw/zinc/00/74/77/469007477.db2.gz RXIYSQKLQADDRR-FQEVSTJZSA-N 0 0 346.471 2.461 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)c(C)[nH]1 ZINC000585288389 469009675 /nfs/dbraw/zinc/00/96/75/469009675.db2.gz YZDBVRDVMLBYBT-ILZDJORESA-N 0 0 340.423 2.391 40 0 EEABRN CCc1cnc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)s1 ZINC000607938522 469732312 /nfs/dbraw/zinc/73/23/12/469732312.db2.gz QTXSWTKOEZADSY-UHFFFAOYSA-N 0 0 343.456 2.335 40 0 EEABRN O=C([O-])C[C@H]1CCCC[N@@H+]1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000650503972 470894349 /nfs/dbraw/zinc/89/43/49/470894349.db2.gz IRSRDPYZELRBHD-IRJKRNAASA-N 0 0 334.460 2.257 40 0 EEABRN CCOc1ncccc1C(=O)N1CC[C@H](Oc2nc(C)cc(C)n2)C1 ZINC000390827346 485667475 /nfs/dbraw/zinc/66/74/75/485667475.db2.gz GIJZWZOEFAMOQY-AWEZNQCLSA-N 0 0 342.399 2.181 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)s1 ZINC000390827033 485667650 /nfs/dbraw/zinc/66/76/50/485667650.db2.gz DPSUHUSJHZMDFL-CYBMUJFWSA-N 0 0 332.429 2.460 40 0 EEABRN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccccc4)C3)ncn2)n1 ZINC000390827205 485668043 /nfs/dbraw/zinc/66/80/43/485668043.db2.gz UXYJMUKFHTWUGY-UHFFFAOYSA-N 0 0 348.410 2.354 40 0 EEABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000113941343 533865813 /nfs/dbraw/zinc/86/58/13/533865813.db2.gz XFYOWNWVPXYFEA-JTQLQIEISA-N 0 0 348.852 2.028 40 0 EEABRN Cc1occc1S[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000131527517 534586871 /nfs/dbraw/zinc/58/68/71/534586871.db2.gz LFHSEJXRAXHXGP-CYBMUJFWSA-N 0 0 332.429 2.207 40 0 EEABRN O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000181125855 534655393 /nfs/dbraw/zinc/65/53/93/534655393.db2.gz NGPZRMVERJQOIT-GJZGRUSLSA-N 0 0 348.447 2.375 40 0 EEABRN CN(Cc1cccn1C)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000252507399 523408261 /nfs/dbraw/zinc/40/82/61/523408261.db2.gz WKICVXQMFINFPP-GXTWGEPZSA-N 0 0 339.411 2.331 40 0 EEABRN C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 ZINC000001345083 525878546 /nfs/dbraw/zinc/87/85/46/525878546.db2.gz MCIPCXBCJGJUNB-LBPRGKRZSA-N 0 0 327.336 2.304 40 0 EEABRN CC(C)c1nccn1CCC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257202296 534914578 /nfs/dbraw/zinc/91/45/78/534914578.db2.gz ALEOKSQRVUSJGW-CQSZACIVSA-N 0 0 343.431 2.298 40 0 EEABRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc2c(c1)OCO2 ZINC000008227498 528615908 /nfs/dbraw/zinc/61/59/08/528615908.db2.gz JBJFGBICRUZJMK-AWEZNQCLSA-N 0 0 334.397 2.113 40 0 EEABRN CC1CCN(C(=O)c2ccc(N3C[C@@H](C(N)=O)CC[C@@H]3C)nc2)CC1 ZINC000195575024 535273718 /nfs/dbraw/zinc/27/37/18/535273718.db2.gz FGETUKXSVHCRCK-HOCLYGCPSA-N 0 0 344.459 2.044 40 0 EEABRN CC(C)c1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)on1 ZINC000257266360 535356227 /nfs/dbraw/zinc/35/62/27/535356227.db2.gz MCRBJLVHFKDXDP-HOTGVXAUSA-N 0 0 345.399 2.238 40 0 EEABRN CNC(=O)[C@@H](NC(=O)CNc1c(F)cccc1Cl)c1ccccc1 ZINC000193106950 536350990 /nfs/dbraw/zinc/35/09/90/536350990.db2.gz BSVYOQJLRJFDMN-HNNXBMFYSA-N 0 0 349.793 2.495 40 0 EEABRN Cc1cscc1NC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000930503472 1206563070 /nfs/dbraw/zinc/56/30/70/1206563070.db2.gz SAMORULCOJMNHM-CYBMUJFWSA-N 0 0 328.459 2.488 40 0 EEABRN CCCn1c(O)c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 ZINC000006493387 1351804492 /nfs/dbraw/zinc/80/44/92/1351804492.db2.gz GPWSCRGDQHUMLW-GFCCVEGCSA-N 0 0 330.384 2.026 40 0 EEABRN CSc1nnc(NC(=O)CCC(=O)N2CCC[C@H](C)C2)s1 ZINC000027913149 1352373477 /nfs/dbraw/zinc/37/34/77/1352373477.db2.gz DXIODQWYEDTFQC-VIFPVBQESA-N 0 0 328.463 2.237 40 0 EEABRN CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc2cccn2cn1 ZINC001548453679 1124295576 /nfs/dbraw/zinc/29/55/76/1124295576.db2.gz XDDMKCHKRPUSOI-UHFFFAOYSA-N 0 0 328.416 2.197 40 0 EEABRN COc1ccccc1N(C)CC(=O)NC(=O)NCc1ccccc1 ZINC000053266539 214174583 /nfs/dbraw/zinc/17/45/83/214174583.db2.gz FBKCYVVICIWARZ-UHFFFAOYSA-N 0 0 327.384 2.157 40 0 EEABRN CCc1ccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000057318892 214417934 /nfs/dbraw/zinc/41/79/34/214417934.db2.gz JAPXEBHBLPKUQW-WMLDXEAASA-N 0 0 332.444 2.252 40 0 EEABRN CS(=O)(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Cl ZINC000061341511 214660198 /nfs/dbraw/zinc/66/01/98/214660198.db2.gz FASHAVBHDISIPY-UHFFFAOYSA-N 0 0 328.777 2.235 40 0 EEABRN CCc1nn(C)c(CC)c1CNC(=O)Nc1nc2c(s1)COCC2 ZINC000179405503 529766138 /nfs/dbraw/zinc/76/61/38/529766138.db2.gz IORMTXFUVNVANO-UHFFFAOYSA-N 0 0 349.460 2.396 40 0 EEABRN Cc1ccc2ncn(CC(=O)c3ccc4c(c3)CCN4C=O)c(=O)c2c1 ZINC000047369277 213845929 /nfs/dbraw/zinc/84/59/29/213845929.db2.gz HLLOADNUAJIVRS-UHFFFAOYSA-N 0 0 347.374 2.107 40 0 EEABRN O=C([C@@H]1CCCO1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 ZINC000004111856 210122719 /nfs/dbraw/zinc/12/27/19/210122719.db2.gz YXPZYAMZYGMBTI-KBPBESRZSA-N 0 0 341.816 2.163 40 0 EEABRN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000003844187 210077986 /nfs/dbraw/zinc/07/79/86/210077986.db2.gz QTDDCPADFFUZQB-OAHLLOKOSA-N 0 0 332.356 2.387 40 0 EEABRN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000003573650 210057096 /nfs/dbraw/zinc/05/70/96/210057096.db2.gz RVGIQKOUYJHAGF-UHFFFAOYSA-N 0 0 336.388 2.393 40 0 EEABRN O=C(NCc1ccncc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000042645377 213521493 /nfs/dbraw/zinc/52/14/93/213521493.db2.gz LIVHSSKKCJGCSB-UHFFFAOYSA-N 0 0 338.392 2.460 40 0 EEABRN COc1ccccc1NC(=O)C(=O)NCCOc1c(C)cccc1C ZINC000042070304 213478410 /nfs/dbraw/zinc/47/84/10/213478410.db2.gz HJRJBPLWVHZGNR-UHFFFAOYSA-N 0 0 342.395 2.446 40 0 EEABRN CC1CCC2(CC1)NC(=O)N(CC(=O)OC[C@@H]1CC=CCC1)C2=O ZINC000068740880 215330569 /nfs/dbraw/zinc/33/05/69/215330569.db2.gz PHUFPFRQCDRVTQ-TXKKKEFDSA-N 0 0 334.416 2.387 40 0 EEABRN C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccccc2NC1=O ZINC000040775989 213385221 /nfs/dbraw/zinc/38/52/21/213385221.db2.gz IQKNTNOZEVBMQR-SFHVURJKSA-N 0 0 340.335 2.186 40 0 EEABRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 ZINC000040539179 213341768 /nfs/dbraw/zinc/34/17/68/213341768.db2.gz XQPOBTMIHAUFCF-CYBMUJFWSA-N 0 0 336.388 2.055 40 0 EEABRN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000040287937 213289346 /nfs/dbraw/zinc/28/93/46/213289346.db2.gz DUSJGSWOBUKCEW-HYVNUMGLSA-N 0 0 335.407 2.239 40 0 EEABRN CC(C)C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1 ZINC000001381435 209732206 /nfs/dbraw/zinc/73/22/06/209732206.db2.gz CEHJCHUTWNQLCD-UHFFFAOYSA-N 0 0 328.463 2.284 40 0 EEABRN Cc1cccc(NC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)n1 ZINC000038755669 213224565 /nfs/dbraw/zinc/22/45/65/213224565.db2.gz UXCAJWJEDBMQPC-LLVKDONJSA-N 0 0 342.424 2.111 40 0 EEABRN Cc1c(C(=O)N2CCc3ccccc32)cnn1-c1nc(C)cc(=O)[nH]1 ZINC000038670869 213219285 /nfs/dbraw/zinc/21/92/85/213219285.db2.gz YDIDBAHZSUSPJL-UHFFFAOYSA-N 0 0 335.367 2.188 40 0 EEABRN CCOCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000038488286 213209868 /nfs/dbraw/zinc/20/98/68/213209868.db2.gz YTLMRDYDMLSDAB-UHFFFAOYSA-N 0 0 345.468 2.491 40 0 EEABRN COc1cc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)on1 ZINC000184085425 235302972 /nfs/dbraw/zinc/30/29/72/235302972.db2.gz AANVSJBDHQYCLZ-UHFFFAOYSA-N 0 0 339.754 2.438 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@@H](c3cnccn3)C2)c1 ZINC000072369403 216175643 /nfs/dbraw/zinc/17/56/43/216175643.db2.gz YMGPSQVZNLZEMB-CYBMUJFWSA-N 0 0 333.413 2.054 40 0 EEABRN Cc1nc(Nc2ccc(F)cc2)cc([C@H]2CCN2S(C)(=O)=O)n1 ZINC000072387178 216187274 /nfs/dbraw/zinc/18/72/74/216187274.db2.gz ABVRQNLUNOTICU-CQSZACIVSA-N 0 0 336.392 2.374 40 0 EEABRN CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCOCC2)C1 ZINC000072395279 216193171 /nfs/dbraw/zinc/19/31/71/216193171.db2.gz URTKZRPLZCOFNE-OAHLLOKOSA-N 0 0 342.443 2.121 40 0 EEABRN CCc1nsc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)n1 ZINC000072535025 216270168 /nfs/dbraw/zinc/27/01/68/216270168.db2.gz NIYLKXUBAKSRNI-UHFFFAOYSA-N 0 0 341.440 2.316 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1cccs1)CC2 ZINC000096059457 283770527 /nfs/dbraw/zinc/77/05/27/283770527.db2.gz YFGOLHLCCGTXNN-UHFFFAOYSA-N 0 0 344.440 2.017 40 0 EEABRN COc1ncccc1CN1CCCN(Cc2cccnc2OC)CC1 ZINC000193298586 240098756 /nfs/dbraw/zinc/09/87/56/240098756.db2.gz MXRAVMYDQTZOFX-UHFFFAOYSA-N 0 0 342.443 2.202 40 0 EEABRN Cc1ccc(F)cc1OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000193723495 240282582 /nfs/dbraw/zinc/28/25/82/240282582.db2.gz IVMCJAFIYCZNGV-UHFFFAOYSA-N 0 0 348.418 2.374 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCN(c2nccs2)CC1 ZINC000022243052 212284980 /nfs/dbraw/zinc/28/49/80/212284980.db2.gz WWTNAOAFBZDTRG-RRFJBIMHSA-N 0 0 336.505 2.349 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1ccc[nH]1 ZINC000195552685 241001646 /nfs/dbraw/zinc/00/16/46/241001646.db2.gz SMILDZOBHQDBPN-ZDUSSCGKSA-N 0 0 327.384 2.112 40 0 EEABRN COC[C@@]1(N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479601 241327239 /nfs/dbraw/zinc/32/72/39/241327239.db2.gz UFGPOZKDTVXAJO-FGTMMUONSA-N 0 0 331.437 2.279 40 0 EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000225503544 241903501 /nfs/dbraw/zinc/90/35/01/241903501.db2.gz BBSPPAYNJGMPOV-CYBMUJFWSA-N 0 0 346.456 2.217 40 0 EEABRN CCc1nc(CCNC(=O)C(C)(C)S(=O)(=O)C2CC2)sc1C ZINC000225810255 242049207 /nfs/dbraw/zinc/04/92/07/242049207.db2.gz ZUMLYAKMRBYNNW-UHFFFAOYSA-N 0 0 344.502 2.028 40 0 EEABRN Cc1noc(CCCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1 ZINC000225724378 242004245 /nfs/dbraw/zinc/00/42/45/242004245.db2.gz XETLUCXIZVDJND-ZDUSSCGKSA-N 0 0 348.428 2.020 40 0 EEABRN Cc1ccc(C2=NO[C@H](CNC(=O)NCCCn3cccn3)C2)cc1 ZINC000225744938 242014009 /nfs/dbraw/zinc/01/40/09/242014009.db2.gz HXOVOCAOBVENOP-INIZCTEOSA-N 0 0 341.415 2.074 40 0 EEABRN CCn1nc(C)cc1NC(=O)COc1cccc2c1NC(=O)CC2 ZINC000227167399 242126912 /nfs/dbraw/zinc/12/69/12/242126912.db2.gz ROYLAOJYVAWXKB-UHFFFAOYSA-N 0 0 328.372 2.114 40 0 EEABRN Cc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000021596203 212233920 /nfs/dbraw/zinc/23/39/20/212233920.db2.gz DKKJNNBMABLAPM-UHFFFAOYSA-N 0 0 329.381 2.288 40 0 EEABRN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(=O)[nH]n1 ZINC000012144743 284020219 /nfs/dbraw/zinc/02/02/19/284020219.db2.gz MSOSJDWKJDJLCS-CQSZACIVSA-N 0 0 325.368 2.336 40 0 EEABRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cnns1 ZINC000242155920 243013092 /nfs/dbraw/zinc/01/30/92/243013092.db2.gz WUJFOACJPPZADI-GDBMZVCRSA-N 0 0 335.404 2.181 40 0 EEABRN CN1CCO[C@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739162 243000981 /nfs/dbraw/zinc/00/09/81/243000981.db2.gz RANALQKAYCCWGF-IRXDYDNUSA-N 0 0 349.500 2.283 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245289693 243102407 /nfs/dbraw/zinc/10/24/07/243102407.db2.gz DMKRVUNRQAKGHL-XOKHGSTOSA-N 0 0 335.469 2.464 40 0 EEABRN CCO[C@@H]1CSC2(CN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 ZINC000253386315 243888324 /nfs/dbraw/zinc/88/83/24/243888324.db2.gz WHDPINOJYVFVEG-ZDUSSCGKSA-N 0 0 335.425 2.081 40 0 EEABRN O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1cscn1 ZINC000253398307 243903568 /nfs/dbraw/zinc/90/35/68/243903568.db2.gz HOPXUAOTTUCDFO-CQSZACIVSA-N 0 0 325.393 2.476 40 0 EEABRN Cc1cccc(CN2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)n1 ZINC000253601073 244035317 /nfs/dbraw/zinc/03/53/17/244035317.db2.gz IPORAHIRHBJQDH-KRWDZBQOSA-N 0 0 340.427 2.301 40 0 EEABRN CCc1nnc(Nc2cccc([C@@H]3CN(C(C)=O)CCO3)n2)s1 ZINC000257218650 244174416 /nfs/dbraw/zinc/17/44/16/244174416.db2.gz DDYZRIVGBWMMND-LBPRGKRZSA-N 0 0 333.417 2.159 40 0 EEABRN Cc1cc(C[C@@H]2COCCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 ZINC000257213204 244155624 /nfs/dbraw/zinc/15/56/24/244155624.db2.gz CGOQFFUFFSIFBG-INIZCTEOSA-N 0 0 343.402 2.184 40 0 EEABRN Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2cccs2)[C@H]1O ZINC000257222533 244187548 /nfs/dbraw/zinc/18/75/48/244187548.db2.gz DTQSEFSXTHUOIJ-BFYDXBDKSA-N 0 0 333.457 2.409 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2c(C)nc3ccccc32)CC[C@@]12CCCO2 ZINC000257223522 244191906 /nfs/dbraw/zinc/19/19/06/244191906.db2.gz DXSTVQBZAHXAOU-HKUYNNGSSA-N 0 0 343.427 2.141 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257223943 244196108 /nfs/dbraw/zinc/19/61/08/244196108.db2.gz DZPLACLCLBTBOW-OAHLLOKOSA-N 0 0 337.383 2.183 40 0 EEABRN Cn1ccnc1-c1cnc(C2CCN(Cc3cnccn3)CC2)cn1 ZINC000257226488 244200482 /nfs/dbraw/zinc/20/04/82/244200482.db2.gz FKTZSDUGJXFONX-UHFFFAOYSA-N 0 0 335.415 2.047 40 0 EEABRN Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245504 212114213 /nfs/dbraw/zinc/11/42/13/212114213.db2.gz TZGPWEJZKTVQCE-UHFFFAOYSA-N 0 0 347.440 2.490 40 0 EEABRN CCN(C(C)=O)[C@@H]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000257227831 244206297 /nfs/dbraw/zinc/20/62/97/244206297.db2.gz FRCXYOCVUKEMLC-QGZVFWFLSA-N 0 0 345.443 2.104 40 0 EEABRN CCCn1cc(CN2CCC[C@@H]2c2nccc(CNC(C)=O)n2)cn1 ZINC000257230801 244214486 /nfs/dbraw/zinc/21/44/86/244214486.db2.gz GDYXQAXJZVFMFB-QGZVFWFLSA-N 0 0 342.447 2.056 40 0 EEABRN Cc1c(C(=O)N2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cnn1C ZINC000257231665 244215815 /nfs/dbraw/zinc/21/58/15/244215815.db2.gz GHSKGHOJGXQSHT-XOKHGSTOSA-N 0 0 326.400 2.053 40 0 EEABRN COCCC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257218986 244178047 /nfs/dbraw/zinc/17/80/47/244178047.db2.gz DFDGSUABRILTNR-LPHOPBHVSA-N 0 0 330.428 2.205 40 0 EEABRN Cn1cc(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)c2ccccc21 ZINC000257220287 244182431 /nfs/dbraw/zinc/18/24/31/244182431.db2.gz DKHAWILWOZGJKD-KRWDZBQOSA-N 0 0 336.395 2.369 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3[nH]cnc3C)CCN2C(C)=O)cc1 ZINC000257244119 244253702 /nfs/dbraw/zinc/25/37/02/244253702.db2.gz IJXYZTFZYBKUQS-SFHVURJKSA-N 0 0 328.416 2.132 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccccn1 ZINC000257238028 244234907 /nfs/dbraw/zinc/23/49/07/244234907.db2.gz HJIGPTHSBYGJSM-LKCYJCQHSA-N 0 0 327.428 2.476 40 0 EEABRN O=C(c1ccc2c(c1)CCC2)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257259135 244289582 /nfs/dbraw/zinc/28/95/82/244289582.db2.gz KWZLKCJAFPQTGA-ROUUACIJSA-N 0 0 325.412 2.210 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Cc4cc[nH]n4)C3)cc2n1 ZINC000257258623 244290774 /nfs/dbraw/zinc/29/07/74/244290774.db2.gz KUVBLEVCXUUKQJ-CQSZACIVSA-N 0 0 338.415 2.164 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC(c3ccnc4ccnn43)CC2)n1 ZINC000257270478 244376078 /nfs/dbraw/zinc/37/60/78/244376078.db2.gz MUJATJNTSIUZEA-UHFFFAOYSA-N 0 0 338.415 2.031 40 0 EEABRN CNc1cccc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261109 244346398 /nfs/dbraw/zinc/34/63/98/244346398.db2.gz LFTFNNZBZFIHIW-GOSISDBHSA-N 0 0 343.427 2.068 40 0 EEABRN Cc1cc(N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)ncn1 ZINC000257272887 244383251 /nfs/dbraw/zinc/38/32/51/244383251.db2.gz NEFQFCMDYPHLBS-INIZCTEOSA-N 0 0 327.432 2.084 40 0 EEABRN CN(C(=O)c1ccon1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O ZINC000257275161 244391886 /nfs/dbraw/zinc/39/18/86/244391886.db2.gz NOEBDXVAKCWSBD-PMPSAXMXSA-N 0 0 334.347 2.247 40 0 EEABRN Cc1cc(N(C)C)nc([C@@H]2COCCN2CCOc2ccccc2)n1 ZINC000257298403 244455537 /nfs/dbraw/zinc/45/55/37/244455537.db2.gz RLLWEIKQXMVLSY-KRWDZBQOSA-N 0 0 342.443 2.303 40 0 EEABRN COc1ccc(N2C[C@@H](n3cncc3-c3cnn(C)c3)CC2=O)cc1 ZINC000019719480 212056996 /nfs/dbraw/zinc/05/69/96/212056996.db2.gz ZVCGBQDYXPHOAV-HNNXBMFYSA-N 0 0 337.383 2.270 40 0 EEABRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)CCCO2 ZINC000077866306 216987787 /nfs/dbraw/zinc/98/77/87/216987787.db2.gz MZRYSWUSFSIXNR-UHFFFAOYSA-N 0 0 341.289 2.494 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402484 212025782 /nfs/dbraw/zinc/02/57/82/212025782.db2.gz VPCPGPWKLZTZAV-MRXNPFEDSA-N 0 0 347.378 2.204 40 0 EEABRN CCN(CC)C(=O)CN1CCCN(c2cccc(F)c2C(C)=O)CC1 ZINC000078393932 217046327 /nfs/dbraw/zinc/04/63/27/217046327.db2.gz OQOPUCJFGMUSJA-UHFFFAOYSA-N 0 0 349.450 2.409 40 0 EEABRN Cn1c(CCNC(=O)Cc2ccc(C(F)(F)F)cc2)n[nH]c1=S ZINC000078502345 217065034 /nfs/dbraw/zinc/06/50/34/217065034.db2.gz DAPOXOSLNJUNCS-UHFFFAOYSA-N 0 0 344.362 2.398 40 0 EEABRN CC[C@H]1CN(C(=O)NCc2cccnc2-n2ccnc2C)C[C@H](C)O1 ZINC000078925104 217149023 /nfs/dbraw/zinc/14/90/23/217149023.db2.gz BISQMGHHGAXZPC-BBRMVZONSA-N 0 0 343.431 2.285 40 0 EEABRN CC(C)(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000078986912 217164973 /nfs/dbraw/zinc/16/49/73/217164973.db2.gz RBDAXBKSDSMKEQ-GFCCVEGCSA-N 0 0 346.324 2.383 40 0 EEABRN O=C(CCCc1ccccn1)Nc1cc(-n2cnnn2)ccc1F ZINC000079039300 217179853 /nfs/dbraw/zinc/17/98/53/217179853.db2.gz PWNAPYSTQHLPIB-UHFFFAOYSA-N 0 0 326.335 2.158 40 0 EEABRN Cc1nnnn1-c1cc(NC(=O)[C@H]2COc3ccccc32)ccc1C ZINC000079092802 217190762 /nfs/dbraw/zinc/19/07/62/217190762.db2.gz RTURUJPHLFXFDX-HNNXBMFYSA-N 0 0 335.367 2.394 40 0 EEABRN O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)Nc1cccnc1 ZINC000079099723 217193209 /nfs/dbraw/zinc/19/32/09/217193209.db2.gz LDUWCOZVEJFLNS-QGZVFWFLSA-N 0 0 326.400 2.096 40 0 EEABRN O=C(CCNC(=O)C1(c2cccc(F)c2)CC1)NCc1ccncc1 ZINC000079357886 217214628 /nfs/dbraw/zinc/21/46/28/217214628.db2.gz NIUQJYJOPFQXNR-UHFFFAOYSA-N 0 0 341.386 2.075 40 0 EEABRN CC[N@@H+](CC(=O)[O-])C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391562 217219416 /nfs/dbraw/zinc/21/94/16/217219416.db2.gz VVWREGMJUZCNCI-MRXNPFEDSA-N 0 0 334.416 2.442 40 0 EEABRN Cc1nn(CCC(=O)NCCN2CCc3ccccc32)c(C)c1C ZINC000013996079 211668021 /nfs/dbraw/zinc/66/80/21/211668021.db2.gz VECCQQQFZXLYQB-UHFFFAOYSA-N 0 0 326.444 2.377 40 0 EEABRN COC(=O)[C@@H]1SC(c2ccccc2)=C(C)[C@@H]2C1C(=O)C(=O)N2OC ZINC000019691676 291607998 /nfs/dbraw/zinc/60/79/98/291607998.db2.gz NHQMETNLVFSHSR-IUODEOHRSA-N 0 0 347.392 2.290 40 0 EEABRN Cc1ccc(CNC(=O)Cn2ccccc2=O)c(OCC2CC2)c1 ZINC000087476496 217732071 /nfs/dbraw/zinc/73/20/71/217732071.db2.gz ZKHSXPJXHNAQBH-UHFFFAOYSA-N 0 0 326.396 2.262 40 0 EEABRN Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCC3)nc2C(C)C)on1 ZINC000013226115 211536921 /nfs/dbraw/zinc/53/69/21/211536921.db2.gz IAFQMYIKTUCPEQ-UHFFFAOYSA-N 0 0 344.415 2.389 40 0 EEABRN Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)[C@H]2CCCO2)on1 ZINC000012337748 211351388 /nfs/dbraw/zinc/35/13/88/211351388.db2.gz DJGNALPPFCAJGX-OAHLLOKOSA-N 0 0 344.415 2.401 40 0 EEABRN Cn1nccc1C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012337420 211351434 /nfs/dbraw/zinc/35/14/34/211351434.db2.gz RPHQXSYLJUVWLU-CQSZACIVSA-N 0 0 327.384 2.223 40 0 EEABRN O=C(NC[C@@H]1CCCN(C(=O)c2cccnc2)C1)c1cccs1 ZINC000012184887 211311624 /nfs/dbraw/zinc/31/16/24/211311624.db2.gz UHGYJKOXXAINPQ-ZDUSSCGKSA-N 0 0 329.425 2.425 40 0 EEABRN CCc1nn(CC(=O)N(CC)CC)c(=O)c2cc3sc(C)cc3n21 ZINC000012115386 211294709 /nfs/dbraw/zinc/29/47/09/211294709.db2.gz XMWYNVBWWWUFCI-UHFFFAOYSA-N 0 0 346.456 2.450 40 0 EEABRN COc1ccc(CNC(=O)[C@H]2C=CCN2C(=O)c2cccs2)cc1 ZINC000012115060 211293743 /nfs/dbraw/zinc/29/37/43/211293743.db2.gz XFSMZWJOAFGYFZ-OAHLLOKOSA-N 0 0 342.420 2.454 40 0 EEABRN CN(C)c1ncc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cn1 ZINC000012148238 211307491 /nfs/dbraw/zinc/30/74/91/211307491.db2.gz ALEBEVZKSJTAPT-QGZVFWFLSA-N 0 0 333.395 2.457 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C1 ZINC000012146745 211305782 /nfs/dbraw/zinc/30/57/82/211305782.db2.gz DEQZFFZIJGVTRG-TXEJJXNPSA-N 0 0 346.456 2.059 40 0 EEABRN COc1ccccc1CC(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000012113235 211292359 /nfs/dbraw/zinc/29/23/59/211292359.db2.gz HKCKYJFXCKIGDQ-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN O=C(C=c1c(=O)[nH]c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000009262060 211060144 /nfs/dbraw/zinc/06/01/44/211060144.db2.gz KASFHSPBWMPXKE-NTEUORMPSA-N 0 0 338.754 2.380 40 0 EEABRN O=C(c1cc2ccccn2c1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000095397114 218329268 /nfs/dbraw/zinc/32/92/68/218329268.db2.gz FMLGSNYZPRCACZ-HNNXBMFYSA-N 0 0 329.425 2.077 40 0 EEABRN C[C@H](c1cn(-c2ccccc2)nn1)N1CCCN(c2ncccn2)CC1 ZINC000095415736 218354297 /nfs/dbraw/zinc/35/42/97/218354297.db2.gz PLHBVZMDXWEFPX-MRXNPFEDSA-N 0 0 349.442 2.331 40 0 EEABRN CCc1noc(C)c1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000095428004 218370139 /nfs/dbraw/zinc/37/01/39/218370139.db2.gz DJQLALODOXUEPJ-INIZCTEOSA-N 0 0 335.791 2.329 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096057043 218547002 /nfs/dbraw/zinc/54/70/02/218547002.db2.gz YMFXDJIEDBDFSV-IEBWSBKVSA-N 0 0 337.460 2.237 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC000096414334 218771796 /nfs/dbraw/zinc/77/17/96/218771796.db2.gz KMUYDHFPWUWVNQ-YKXBDCQTSA-N 0 0 336.457 2.020 40 0 EEABRN COCC[C@@H](C)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000096466245 218845456 /nfs/dbraw/zinc/84/54/56/218845456.db2.gz UDEJCRBUFHZAJP-GFCCVEGCSA-N 0 0 341.408 2.023 40 0 EEABRN C[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000096485862 218861792 /nfs/dbraw/zinc/86/17/92/218861792.db2.gz VNNWVKPUVLPSAK-BIGNPOOSSA-N 0 0 330.787 2.379 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1cccc(N)c1 ZINC000096518197 218881587 /nfs/dbraw/zinc/88/15/87/218881587.db2.gz NVQZASODOFFSAS-SNVBAGLBSA-N 0 0 340.626 2.174 40 0 EEABRN COCCCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000097095464 218949818 /nfs/dbraw/zinc/94/98/18/218949818.db2.gz GKAPBIPJKIYHPC-UHFFFAOYSA-N 0 0 346.880 2.218 40 0 EEABRN CSc1cncc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000097095874 218950539 /nfs/dbraw/zinc/95/05/39/218950539.db2.gz KCDPTLNWQBVKDW-VIFPVBQESA-N 0 0 334.367 2.093 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)CC(=O)N2 ZINC000004944388 210334599 /nfs/dbraw/zinc/33/45/99/210334599.db2.gz BHLSDPDOVDHMNA-LLVKDONJSA-N 0 0 331.397 2.365 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1 ZINC000004909443 210319011 /nfs/dbraw/zinc/31/90/11/210319011.db2.gz XJAVATKRSBLHRJ-GDBMZVCRSA-N 0 0 337.508 2.308 40 0 EEABRN CCc1nn(C)c(OC)c1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234255 219001340 /nfs/dbraw/zinc/00/13/40/219001340.db2.gz AUMQVIXKANJMPM-OAHLLOKOSA-N 0 0 346.435 2.151 40 0 EEABRN CCCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000004883023 210311019 /nfs/dbraw/zinc/31/10/19/210311019.db2.gz GJADJZXZSMLISD-UHFFFAOYSA-N 0 0 333.417 2.407 40 0 EEABRN O=C1NC[C@@H]2CN(CCCc3ccccc3Br)CCN12 ZINC000097371936 219016489 /nfs/dbraw/zinc/01/64/89/219016489.db2.gz GNSBBDKYOVTWIZ-CYBMUJFWSA-N 0 0 338.249 2.091 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccc(OC)cc1OC ZINC000257241704 285154576 /nfs/dbraw/zinc/15/45/76/285154576.db2.gz HZFIFWSCLQIMQY-PBHICJAKSA-N 0 0 334.416 2.092 40 0 EEABRN CC(C)Oc1cc(CN(C(=O)[C@H]2CCCC(=O)N2)C2CC2)ccn1 ZINC000270365941 256127907 /nfs/dbraw/zinc/12/79/07/256127907.db2.gz CHWWSNKAVWKJDX-OAHLLOKOSA-N 0 0 331.416 2.029 40 0 EEABRN CCOC(=O)C(Sc1nc2ccc(N)cc2s1)C(=O)OCC ZINC000408751091 257889607 /nfs/dbraw/zinc/88/96/07/257889607.db2.gz WIPZNZWHOURHIZ-UHFFFAOYSA-N 0 0 340.426 2.465 40 0 EEABRN Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000408556499 257897100 /nfs/dbraw/zinc/89/71/00/257897100.db2.gz JAENXSXMROLXET-UHFFFAOYSA-N 0 0 336.457 2.452 40 0 EEABRN COC(=O)CCCN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000185006479 533380901 /nfs/dbraw/zinc/38/09/01/533380901.db2.gz MDZOTARTLCDOME-HNNXBMFYSA-N 0 0 342.754 2.199 40 0 EEABRN Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(N2CCCCC2)n1 ZINC000049410921 132430261 /nfs/dbraw/zinc/43/02/61/132430261.db2.gz GYJMEJLRENAVAZ-UHFFFAOYSA-N 0 0 326.400 2.181 40 0 EEABRN Cc1nnc2ccc(N3CCC[C@H](C(=O)N4CCCCCC4)C3)nn12 ZINC000068701176 132813797 /nfs/dbraw/zinc/81/37/97/132813797.db2.gz JYCIGFQONNXPSJ-HNNXBMFYSA-N 0 0 342.447 2.052 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCCCCC2)n1 ZINC000072241508 280340385 /nfs/dbraw/zinc/34/03/85/280340385.db2.gz RHUMVENEHOPNHJ-HUUCEWRRSA-N 0 0 332.448 2.415 40 0 EEABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=NN)sc2c1 ZINC000216775244 290396698 /nfs/dbraw/zinc/39/66/98/290396698.db2.gz UHTGNPYFWYUKIS-VIFPVBQESA-N 0 0 326.447 2.145 40 0 EEABRN COc1ccccc1N1CCC(NC(=O)N2CCC[C@H](O)[C@@H]2C)CC1 ZINC000297249503 294192335 /nfs/dbraw/zinc/19/23/35/294192335.db2.gz OHKFZNATGWPJNF-YOEHRIQHSA-N 0 0 347.459 2.219 40 0 EEABRN Cc1c[nH]nc1[C@@H]1COCCN1C(=O)c1cc(C)nc2onc(C)c21 ZINC000257284030 302329577 /nfs/dbraw/zinc/32/95/77/302329577.db2.gz PAZFXFGAAQIMAD-ZDUSSCGKSA-N 0 0 341.371 2.085 40 0 EEABRN Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H]1CCc2c1cccc2F ZINC000096489330 303035226 /nfs/dbraw/zinc/03/52/26/303035226.db2.gz GLJPMVJKBBPTEP-GJZGRUSLSA-N 0 0 329.379 2.488 40 0 EEABRN CC1(C)Cc2cccc(OCc3nnnn3CC3CCOCC3)c2O1 ZINC000333037313 312081973 /nfs/dbraw/zinc/08/19/73/312081973.db2.gz NSYUGITWDKTLQL-UHFFFAOYSA-N 0 0 344.415 2.392 40 0 EEABRN C[S@@](=O)Cc1ccccc1NCCN1C(=O)c2ccccc2C1=O ZINC000155273533 323332343 /nfs/dbraw/zinc/33/23/43/323332343.db2.gz NAJRFLJUHDWSLG-DEOSSOPVSA-N 0 0 342.420 2.273 40 0 EEABRN C[C@@H](CO)CNC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193040103 465024294 /nfs/dbraw/zinc/02/42/94/465024294.db2.gz LNFZXLCHGYNQGL-SNVBAGLBSA-N 0 0 331.338 2.314 40 0 EEABRN CC[C@](Br)([C@H](O)c1cccc(F)c1)S(C)(=O)=O ZINC000096521544 463293531 /nfs/dbraw/zinc/29/35/31/463293531.db2.gz MLVOHIHDOPNVBR-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1ccccc1 ZINC000298113117 465305700 /nfs/dbraw/zinc/30/57/00/465305700.db2.gz PYWWGBCMUDAAFV-UHFFFAOYSA-N 0 0 326.396 2.406 40 0 EEABRN O=C(Nc1ccccn1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000045184498 462566144 /nfs/dbraw/zinc/56/61/44/462566144.db2.gz VMEAGBPGFUTARK-MRXNPFEDSA-N 0 0 326.400 2.277 40 0 EEABRN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000074220236 462570972 /nfs/dbraw/zinc/57/09/72/462570972.db2.gz NNGQNCUMDANCPI-GOEBONIOSA-N 0 0 338.473 2.084 40 0 EEABRN Cc1nc(CNC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)no1 ZINC000086424328 462572024 /nfs/dbraw/zinc/57/20/24/462572024.db2.gz MLONSLVHTFWMRD-LLVKDONJSA-N 0 0 340.387 2.433 40 0 EEABRN O=S(=O)(Cc1nnnn1-c1ccccc1)Cc1cccc(Cl)c1 ZINC000045282872 462573444 /nfs/dbraw/zinc/57/34/44/462573444.db2.gz ASLWLSSNMAGGJP-UHFFFAOYSA-N 0 0 348.815 2.431 40 0 EEABRN CCCn1c(SCC(=O)N2CCCC2)nnc1-c1cccnc1 ZINC000001361255 462580050 /nfs/dbraw/zinc/58/00/50/462580050.db2.gz SGOFGMBBULUFQE-UHFFFAOYSA-N 0 0 331.445 2.465 40 0 EEABRN CCOC(=O)C(C=Nc1cc(OC(C)=O)ccc1C)C(=O)OCC ZINC000001579728 462583605 /nfs/dbraw/zinc/58/36/05/462583605.db2.gz RDVLJOVRZFLKGM-UHFFFAOYSA-N 0 0 335.356 2.342 40 0 EEABRN CCOC(=O)N1C=C(C(=O)OC)C(c2ccccc2)C(C(=O)OC)=C1 ZINC000001584454 462583621 /nfs/dbraw/zinc/58/36/21/462583621.db2.gz WZRZAYXWUVVWOF-UHFFFAOYSA-N 0 0 345.351 2.356 40 0 EEABRN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccn1 ZINC000003066928 462610537 /nfs/dbraw/zinc/61/05/37/462610537.db2.gz OREGMTLEAJRIJJ-QGZVFWFLSA-N 0 0 337.379 2.467 40 0 EEABRN O=C(N[C@@H](c1nccs1)C1CC1)N1CCN(Cc2ccon2)CC1 ZINC000074709616 462626770 /nfs/dbraw/zinc/62/67/70/462626770.db2.gz GVVNDZUGKGMMIM-CQSZACIVSA-N 0 0 347.444 2.110 40 0 EEABRN Cc1nn(C(C)C)c2cnn(CC(=O)N[C@H](C)c3ccncc3)c12 ZINC000046087527 462646445 /nfs/dbraw/zinc/64/64/45/462646445.db2.gz DLWTUVNMZQZGHV-GFCCVEGCSA-N 0 0 326.404 2.395 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 ZINC000005527770 462661634 /nfs/dbraw/zinc/66/16/34/462661634.db2.gz XUMHBVTYEAPBCF-NSHDSACASA-N 0 0 330.837 2.019 40 0 EEABRN O=C(c1ccncc1)N1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000075029140 462666541 /nfs/dbraw/zinc/66/65/41/462666541.db2.gz IJFFJXPBAKGOTE-UHFFFAOYSA-N 0 0 347.777 2.472 40 0 EEABRN CC1(C)O[C@@H](COP2OCCO2)[C@H](COP2OCCO2)O1 ZINC000005741936 462668912 /nfs/dbraw/zinc/66/89/12/462668912.db2.gz GRZCTUNSZLHSDO-UWVGGRQHSA-N 0 0 342.221 2.087 40 0 EEABRN COc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1Cl ZINC000006328094 462682929 /nfs/dbraw/zinc/68/29/29/462682929.db2.gz YFZSIXAWICLHMC-UHFFFAOYSA-N 0 0 328.796 2.218 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000006707027 462699851 /nfs/dbraw/zinc/69/98/51/462699851.db2.gz LRANQGXNCVYNIW-UHFFFAOYSA-N 0 0 335.381 2.348 40 0 EEABRN CN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000007778819 462751132 /nfs/dbraw/zinc/75/11/32/462751132.db2.gz TUFMESLSXQHPLP-GOSISDBHSA-N 0 0 349.390 2.346 40 0 EEABRN CNC(=O)NCC(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC000090061437 462771336 /nfs/dbraw/zinc/77/13/36/462771336.db2.gz IJJOVQITFXMRCV-UHFFFAOYSA-N 0 0 325.412 2.438 40 0 EEABRN Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)c(C)c1 ZINC000008476473 462784777 /nfs/dbraw/zinc/78/47/77/462784777.db2.gz OFDSVDRCYNHDRE-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN O=C(NCCO)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000008476523 462784821 /nfs/dbraw/zinc/78/48/21/462784821.db2.gz HIJIQBVTDPDXDB-UHFFFAOYSA-N 0 0 342.786 2.310 40 0 EEABRN CCOc1cc2c(cc1NC(=O)NCCn1ccnc1)O[C@@H](C)C2 ZINC000076095894 462807430 /nfs/dbraw/zinc/80/74/30/462807430.db2.gz UPJHIEGOZUTGDA-LBPRGKRZSA-N 0 0 330.388 2.427 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@H](Cn1nnc2ccccc21)C(C)C ZINC000012141899 462845149 /nfs/dbraw/zinc/84/51/49/462845149.db2.gz WPDDJGZGBMTKEG-CQSZACIVSA-N 0 0 327.388 2.491 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000076377396 462850916 /nfs/dbraw/zinc/85/09/16/462850916.db2.gz NWBQEIWKLPHXSN-PQAPVRDISA-N 0 0 325.405 2.311 40 0 EEABRN COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)C3CCC3)n2)cc1 ZINC000012731292 462864807 /nfs/dbraw/zinc/86/48/07/462864807.db2.gz NXUGJNRDAVKVBG-ZDUSSCGKSA-N 0 0 341.411 2.224 40 0 EEABRN CCCn1nc(C(=O)NC(C)(C)c2nc(C)c(C)s2)ccc1=O ZINC000076477891 462866067 /nfs/dbraw/zinc/86/60/67/462866067.db2.gz NLTHFPBDZPGENO-UHFFFAOYSA-N 0 0 334.445 2.392 40 0 EEABRN Cc1cccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 ZINC000013670972 462898795 /nfs/dbraw/zinc/89/87/95/462898795.db2.gz XNMDYVNQABFJHM-UHFFFAOYSA-N 0 0 332.425 2.077 40 0 EEABRN CCOC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000014162966 462914928 /nfs/dbraw/zinc/91/49/28/462914928.db2.gz CAAJRLCDNOAIRJ-UHFFFAOYSA-N 0 0 341.411 2.406 40 0 EEABRN Cc1ncc(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)[nH]1 ZINC000077017792 462934043 /nfs/dbraw/zinc/93/40/43/462934043.db2.gz RQLOEDNRBNZTOR-UHFFFAOYSA-N 0 0 349.394 2.320 40 0 EEABRN C[C@H]1CCCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000049026268 462950087 /nfs/dbraw/zinc/95/00/87/462950087.db2.gz KGEMYJDGDYMGJY-LBPRGKRZSA-N 0 0 337.370 2.465 40 0 EEABRN CCc1nc(SCC(=O)Nc2ccccc2OC)[nH]c(=O)c1C ZINC000018159204 463007705 /nfs/dbraw/zinc/00/77/05/463007705.db2.gz NVFXDOWVVNZIAH-UHFFFAOYSA-N 0 0 333.413 2.380 40 0 EEABRN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)ncc2C1 ZINC000019018469 463013334 /nfs/dbraw/zinc/01/33/34/463013334.db2.gz SCVDQXCSBLMQJH-QGZVFWFLSA-N 0 0 342.443 2.235 40 0 EEABRN C[C@@H](C(=O)NCCc1cn(C)c2ccc(Cl)cc12)N1CCOCC1 ZINC000019080167 463014359 /nfs/dbraw/zinc/01/43/59/463014359.db2.gz XRKFUYMZDMKMEQ-ZDUSSCGKSA-N 0 0 349.862 2.211 40 0 EEABRN Cc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000019580530 463018879 /nfs/dbraw/zinc/01/88/79/463018879.db2.gz GJCVXXFEFVYKNX-UHFFFAOYSA-N 0 0 333.363 2.448 40 0 EEABRN Nc1ncnc2nc([C@@H]3CCN(C(=O)Cc4ccccc4)C3)ccc12 ZINC000019704882 463021038 /nfs/dbraw/zinc/02/10/38/463021038.db2.gz XVWQJXJLSRIFHO-CQSZACIVSA-N 0 0 333.395 2.166 40 0 EEABRN CNC(=O)c1sc2ncccc2c1[C@H]1CCN(c2ncccn2)C1 ZINC000019701970 463021111 /nfs/dbraw/zinc/02/11/11/463021111.db2.gz OGLRGWJQGIZWLB-NSHDSACASA-N 0 0 339.424 2.440 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)cc1 ZINC000134381884 463032604 /nfs/dbraw/zinc/03/26/04/463032604.db2.gz LWECEVPSUWUQDW-WFASDCNBSA-N 0 0 326.824 2.064 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021872311 463041656 /nfs/dbraw/zinc/04/16/56/463041656.db2.gz YEQRXNNLAFXCBC-OLZOCXBDSA-N 0 0 344.502 2.310 40 0 EEABRN CC(C)CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000022273227 463048109 /nfs/dbraw/zinc/04/81/09/463048109.db2.gz RCXSBWDCODOYBN-UHFFFAOYSA-N 0 0 326.462 2.348 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000077837492 463059725 /nfs/dbraw/zinc/05/97/25/463059725.db2.gz LSVHSBGKVGZKSM-UHFFFAOYSA-N 0 0 344.415 2.497 40 0 EEABRN Cc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000025050926 463107489 /nfs/dbraw/zinc/10/74/89/463107489.db2.gz SIBHICMDFRGYGS-UHFFFAOYSA-N 0 0 346.452 2.274 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096039052 463143773 /nfs/dbraw/zinc/14/37/73/463143773.db2.gz MOXNTJFTORSHSJ-CVEARBPZSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1oncc1C(=O)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040690 463144833 /nfs/dbraw/zinc/14/48/33/463144833.db2.gz FMQSJECRCGKIQP-LXZKKBNFSA-N 0 0 342.399 2.110 40 0 EEABRN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cnn(C)c2)cs1 ZINC000096041754 463146141 /nfs/dbraw/zinc/14/61/41/463146141.db2.gz ILEVBMCQFQWXIV-GVDBMIGSSA-N 0 0 348.472 2.134 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1nccs1)C2 ZINC000096050211 463153740 /nfs/dbraw/zinc/15/37/40/463153740.db2.gz MYNSTECIPAKSGJ-SFHVURJKSA-N 0 0 342.468 2.066 40 0 EEABRN Cc1nc(CN2C[C@@]3(CCN(C(=O)c4ccoc4)C3)CC2=O)cs1 ZINC000096050922 463154705 /nfs/dbraw/zinc/15/47/05/463154705.db2.gz ATVHTZWECRCXEU-KRWDZBQOSA-N 0 0 345.424 2.309 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2nccs2)n1 ZINC000096055761 463158118 /nfs/dbraw/zinc/15/81/18/463158118.db2.gz OGRCQCKWUCMDOW-LSDHHAIUSA-N 0 0 328.441 2.222 40 0 EEABRN O=C([C@@H]1CCCO1)N1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096062973 463163726 /nfs/dbraw/zinc/16/37/26/463163726.db2.gz KMGFCWNDNBGLMT-YOEHRIQHSA-N 0 0 335.473 2.137 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCC3(CCc4ccccc43)CC2)c1 ZINC000096063596 463163771 /nfs/dbraw/zinc/16/37/71/463163771.db2.gz LRICWEKYZINQQD-UHFFFAOYSA-N 0 0 331.441 2.089 40 0 EEABRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCC(C)C ZINC000026522721 463165185 /nfs/dbraw/zinc/16/51/85/463165185.db2.gz FLRWNYGCNUZXSM-UHFFFAOYSA-N 0 0 326.462 2.458 40 0 EEABRN Cc1noc([C@H]2C[C@H]3CN(C(=O)c4cncc(C)c4)CC[C@@H]3O2)n1 ZINC000096070546 463165306 /nfs/dbraw/zinc/16/53/06/463165306.db2.gz PVFRGEWCZGCBBB-SOUVJXGZSA-N 0 0 328.372 2.074 40 0 EEABRN O=C(c1cccnc1)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000096069518 463165316 /nfs/dbraw/zinc/16/53/16/463165316.db2.gz KFYARKILWAHHCA-KRWDZBQOSA-N 0 0 335.407 2.360 40 0 EEABRN O=C(C1CC=CC1)N1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC000096069663 463165525 /nfs/dbraw/zinc/16/55/25/463165525.db2.gz RSOFSLXHHGSMCK-MRXNPFEDSA-N 0 0 325.412 2.013 40 0 EEABRN Cn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1C1CC1 ZINC000096099369 463173032 /nfs/dbraw/zinc/17/30/32/463173032.db2.gz MKFNANYQKKYLBX-UHFFFAOYSA-N 0 0 341.383 2.195 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107602 463174789 /nfs/dbraw/zinc/17/47/89/463174789.db2.gz KEWWXXRTTKFCDX-WMZOPIPTSA-N 0 0 328.368 2.056 40 0 EEABRN Fc1cnc(N2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)nc1 ZINC000096106827 463175191 /nfs/dbraw/zinc/17/51/91/463175191.db2.gz LTXLFFQIGIXZGQ-INIZCTEOSA-N 0 0 344.390 2.355 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107863 463175399 /nfs/dbraw/zinc/17/53/99/463175399.db2.gz ZLHDCNOFTFHLRI-KDOFPFPSSA-N 0 0 346.358 2.195 40 0 EEABRN Cc1cc(CN2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)no1 ZINC000096109083 463177227 /nfs/dbraw/zinc/17/72/27/463177227.db2.gz NFLNBWFNFMLTST-DYVFJYSZSA-N 0 0 333.363 2.045 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161344 463192521 /nfs/dbraw/zinc/19/25/21/463192521.db2.gz AEHCEQXCHLXVDM-SFHVURJKSA-N 0 0 349.434 2.147 40 0 EEABRN O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC000096186170 463197353 /nfs/dbraw/zinc/19/73/53/463197353.db2.gz RHIMPIPMYZCJMS-SZMVWBNQSA-N 0 0 341.411 2.389 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096199636 463204675 /nfs/dbraw/zinc/20/46/75/463204675.db2.gz PDBDMKRXIWTSII-QGZVFWFLSA-N 0 0 342.439 2.078 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096221893 463217342 /nfs/dbraw/zinc/21/73/42/463217342.db2.gz ZAUIKHRGEFRQOO-NVXWUHKLSA-N 0 0 331.412 2.252 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096220060 463218173 /nfs/dbraw/zinc/21/81/73/463218173.db2.gz GYJRNLOVAQZMNH-LPHOPBHVSA-N 0 0 339.395 2.238 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096239590 463224568 /nfs/dbraw/zinc/22/45/68/463224568.db2.gz GXLVZXJZADPFTQ-MRXNPFEDSA-N 0 0 347.369 2.183 40 0 EEABRN Cc1ccc(C(=O)N2CCCn3nnc(COCC4CC4)c3C2)o1 ZINC000096256077 463229174 /nfs/dbraw/zinc/22/91/74/463229174.db2.gz PKRQRPBTJQANSF-UHFFFAOYSA-N 0 0 330.388 2.152 40 0 EEABRN O=C(c1ccccc1)N1CCCn2cnc(CN3CCCC3=O)c2C1 ZINC000096259340 463229792 /nfs/dbraw/zinc/22/97/92/463229792.db2.gz RGAWDDVXHHWITF-UHFFFAOYSA-N 0 0 338.411 2.052 40 0 EEABRN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000096403641 463238032 /nfs/dbraw/zinc/23/80/32/463238032.db2.gz SXCOCVNAQHMPMA-CYBMUJFWSA-N 0 0 348.403 2.378 40 0 EEABRN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nncn1C ZINC000096403518 463238054 /nfs/dbraw/zinc/23/80/54/463238054.db2.gz QKXQJBCGILNCJB-QMMMGPOBSA-N 0 0 329.187 2.206 40 0 EEABRN Cc1nc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)no1 ZINC000096407771 463241663 /nfs/dbraw/zinc/24/16/63/463241663.db2.gz SWNRURIJPQXUAZ-LLVKDONJSA-N 0 0 345.321 2.269 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)Cc1c(C)noc1C ZINC000096412681 463244761 /nfs/dbraw/zinc/24/47/61/463244761.db2.gz YXWZEVNTEZXMMG-UHFFFAOYSA-N 0 0 326.360 2.011 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCC[C@H](O)C(F)(F)F ZINC000096413290 463246268 /nfs/dbraw/zinc/24/62/68/463246268.db2.gz CHSAIKGGTKNOQM-WOPDTQHZSA-N 0 0 326.359 2.194 40 0 EEABRN O=C(CCc1cccnc1)NCCNc1nccc(C(F)(F)F)n1 ZINC000096414546 463246884 /nfs/dbraw/zinc/24/68/84/463246884.db2.gz WZEUZTDIIVRDNS-UHFFFAOYSA-N 0 0 339.321 2.051 40 0 EEABRN Cc1cccc(C)c1CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000096414874 463247013 /nfs/dbraw/zinc/24/70/13/463247013.db2.gz BLGXZBCGGKOYOE-SJORKVTESA-N 0 0 337.485 2.472 40 0 EEABRN CC(C)(C)c1nc(Cn2cc(I)cn2)no1 ZINC000096414769 463247388 /nfs/dbraw/zinc/24/73/88/463247388.db2.gz LHZADIYYAXSNTK-UHFFFAOYSA-N 0 0 332.145 2.217 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(OC2CCOCC2)CC1 ZINC000096417443 463249570 /nfs/dbraw/zinc/24/95/70/463249570.db2.gz LZGMHMNUDQMZCY-QAPCUYQASA-N 0 0 338.492 2.341 40 0 EEABRN CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F ZINC000096419083 463250623 /nfs/dbraw/zinc/25/06/23/463250623.db2.gz SIZZJYZXTVQQJE-YGRLFVJLSA-N 0 0 331.384 2.357 40 0 EEABRN CN1CC[C@@H](NC(=O)Nc2cccc(N3CCCCCC3)c2)C1=O ZINC000096420270 463251955 /nfs/dbraw/zinc/25/19/55/463251955.db2.gz SIYCMGHHUPUBGD-MRXNPFEDSA-N 0 0 330.432 2.419 40 0 EEABRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000096426810 463256000 /nfs/dbraw/zinc/25/60/00/463256000.db2.gz UEBFRKLYZLJQSI-LLVKDONJSA-N 0 0 347.337 2.246 40 0 EEABRN Cc1cccc(C)c1NCC(=O)N1CCCN(c2ncccn2)CC1 ZINC000096426392 463256036 /nfs/dbraw/zinc/25/60/36/463256036.db2.gz PXJKXOZCBBUVOR-UHFFFAOYSA-N 0 0 339.443 2.244 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)C12CCCC2 ZINC000096432482 463261317 /nfs/dbraw/zinc/26/13/17/463261317.db2.gz OQQATVHGLYNGSX-HUUCEWRRSA-N 0 0 341.415 2.130 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3ccccn32)C12CCCC2 ZINC000096437541 463265889 /nfs/dbraw/zinc/26/58/89/463265889.db2.gz ISTLZDMBERKZRA-UONOGXRCSA-N 0 0 343.431 2.266 40 0 EEABRN CN(CCOc1ccccc1F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444973 463269977 /nfs/dbraw/zinc/26/99/77/463269977.db2.gz BXCXCSWULUJZIV-ZBFHGGJFSA-N 0 0 329.437 2.492 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H]3CC(=O)N(C)C3)cc2)n1 ZINC000096449741 463272303 /nfs/dbraw/zinc/27/23/03/463272303.db2.gz ZMGRXBYUSTYZDO-ZBFHGGJFSA-N 0 0 340.427 2.145 40 0 EEABRN CC(C)c1noc(-c2ccnc(N3CCC[C@@H]3C(=O)N(C)C)c2)n1 ZINC000096453287 463274395 /nfs/dbraw/zinc/27/43/95/463274395.db2.gz QXMAAYJOWXBRSD-CYBMUJFWSA-N 0 0 329.404 2.312 40 0 EEABRN C/C=C/CS(=O)(=O)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000096475922 463280458 /nfs/dbraw/zinc/28/04/58/463280458.db2.gz SBMRNQNGDMCSIN-SGUJLRQBSA-N 0 0 331.384 2.475 40 0 EEABRN CC(C)Nc1c(Cl)cccc1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC000096475869 463280628 /nfs/dbraw/zinc/28/06/28/463280628.db2.gz MDPJHEWDVHQNON-LLVKDONJSA-N 0 0 340.855 2.165 40 0 EEABRN O=C(CN(C[C@H]1CCCO1)c1cnc2ccccc2n1)N1CCCC1 ZINC000096483193 463282631 /nfs/dbraw/zinc/28/26/31/463282631.db2.gz OOCISABKKPNTHF-OAHLLOKOSA-N 0 0 340.427 2.238 40 0 EEABRN CSc1nnc(Cn2c(=O)ncn2-c2cc(C)ccc2C)s1 ZINC000096490195 463287018 /nfs/dbraw/zinc/28/70/18/463287018.db2.gz OVCJNGKOQHLPAN-UHFFFAOYSA-N 0 0 333.442 2.273 40 0 EEABRN C[C@H](c1ccccn1)N(CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497133 463290627 /nfs/dbraw/zinc/29/06/27/463290627.db2.gz GNBSVVCUKZJRAS-OAHLLOKOSA-N 0 0 338.411 2.197 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)c2ccc(O)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000097100816 463324356 /nfs/dbraw/zinc/32/43/56/463324356.db2.gz MVVYLQDWPIJVOE-WBVHZDCISA-N 0 0 346.333 2.372 40 0 EEABRN CS(=O)(=O)N[C@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 ZINC000097103106 463325392 /nfs/dbraw/zinc/32/53/92/463325392.db2.gz GUFNXMDYYMSSLL-ZDUSSCGKSA-N 0 0 337.470 2.328 40 0 EEABRN C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000097378527 463358168 /nfs/dbraw/zinc/35/81/68/463358168.db2.gz YCKYJVCWXATKKR-WREIHNQOSA-N 0 0 336.457 2.181 40 0 EEABRN O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Cl ZINC000032101568 463365165 /nfs/dbraw/zinc/36/51/65/463365165.db2.gz XZUNGFGSWHLSPB-GRYCIOLGSA-N 0 0 329.791 2.258 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1F ZINC000070636737 463376158 /nfs/dbraw/zinc/37/61/58/463376158.db2.gz VOPNMIYAYNJDIU-AWEZNQCLSA-N 0 0 331.409 2.054 40 0 EEABRN O=C(Cn1nnc2ccccc21)Nc1sccc1C(=O)NC1CC1 ZINC000070772329 463384890 /nfs/dbraw/zinc/38/48/90/463384890.db2.gz GISNVJJEWJLHLG-UHFFFAOYSA-N 0 0 341.396 2.024 40 0 EEABRN CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC000041058395 463465042 /nfs/dbraw/zinc/46/50/42/463465042.db2.gz ZVXSQJXVFVRFQP-QGZVFWFLSA-N 0 0 348.443 2.089 40 0 EEABRN CCCc1nnc(NC(=O)Cn2ncc3c2c(C)nn3CC)s1 ZINC000041123926 463468724 /nfs/dbraw/zinc/46/87/24/463468724.db2.gz TVHDMDWBWWKEMW-UHFFFAOYSA-N 0 0 333.421 2.004 40 0 EEABRN Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000057355687 463480678 /nfs/dbraw/zinc/48/06/78/463480678.db2.gz QHQWNXUZKOCHMM-HNNXBMFYSA-N 0 0 333.432 2.261 40 0 EEABRN CCn1cc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 ZINC000041549537 463493047 /nfs/dbraw/zinc/49/30/47/463493047.db2.gz HTAWEHBGNKNDIR-HNNXBMFYSA-N 0 0 334.763 2.285 40 0 EEABRN C[C@@]1(C(=O)NCCc2ccco2)Oc2ccc(Cl)cc2NC1=O ZINC000041549631 463493635 /nfs/dbraw/zinc/49/36/35/463493635.db2.gz FVFICNQQHMEMNJ-INIZCTEOSA-N 0 0 334.759 2.382 40 0 EEABRN CCc1nnc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)s1 ZINC000041630742 463498881 /nfs/dbraw/zinc/49/88/81/463498881.db2.gz CUBKDXCHCUNPQI-UHFFFAOYSA-N 0 0 347.425 2.068 40 0 EEABRN C[C@@H]1SCCN(Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199069 463539314 /nfs/dbraw/zinc/53/93/14/463539314.db2.gz IHDVKLHDXWFRFI-SWLSCSKDSA-N 0 0 344.488 2.198 40 0 EEABRN CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccc(Br)o2)C1 ZINC000083961398 463568270 /nfs/dbraw/zinc/56/82/70/463568270.db2.gz TXNIQVMUXHKNSH-YUMQZZPRSA-N 0 0 337.191 2.165 40 0 EEABRN c1cnc(N2CC[C@H]3OCCC[C@@]3(COCC3CCOCC3)C2)nc1 ZINC000107712134 463579969 /nfs/dbraw/zinc/57/99/69/463579969.db2.gz PYWSDAKPJLJFSQ-MJGOQNOKSA-N 0 0 347.459 2.295 40 0 EEABRN O=C(NCC(F)(F)F)C1CCN(C(=O)NCc2cccs2)CC1 ZINC000044226933 463670501 /nfs/dbraw/zinc/67/05/01/463670501.db2.gz QCVMAQRRWVZNRX-UHFFFAOYSA-N 0 0 349.378 2.348 40 0 EEABRN COC(=O)C1CCN(C(=O)/C=C/c2cc(OC)ccc2OC)CC1 ZINC000044866400 463696281 /nfs/dbraw/zinc/69/62/81/463696281.db2.gz LSXSMSHSYQIUCP-QPJJXVBHSA-N 0 0 333.384 2.129 40 0 EEABRN O=C(Cn1ccnc1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257280399 463759957 /nfs/dbraw/zinc/75/99/57/463759957.db2.gz OKRHKPVGKVDYAZ-MRXNPFEDSA-N 0 0 338.411 2.082 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(Cc3nccn3C(C)C)CC[C@H]21 ZINC000257295269 463766408 /nfs/dbraw/zinc/76/64/08/463766408.db2.gz QXQOGSSCKFKEIK-DLBZAZTESA-N 0 0 348.491 2.313 40 0 EEABRN Cc1ncoc1C(=O)N1C[C@@H]2[C@H](N(C)c3ccc(C)nn3)CC[C@@H]2C1 ZINC000257294056 463766479 /nfs/dbraw/zinc/76/64/79/463766479.db2.gz QSGIOJIFQPLEGO-QLFBSQMISA-N 0 0 341.415 2.068 40 0 EEABRN CC(=O)N1CCC(Cc2ccccc2)(C(=O)NC2CCOCC2)CC1 ZINC000257297752 463767678 /nfs/dbraw/zinc/76/76/78/463767678.db2.gz RIRRITBANRZGSV-UHFFFAOYSA-N 0 0 344.455 2.153 40 0 EEABRN Cc1ccc(C[C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)nc1 ZINC000257300827 463769083 /nfs/dbraw/zinc/76/90/83/463769083.db2.gz RVVUCDRSULBHTE-MRXNPFEDSA-N 0 0 346.452 2.270 40 0 EEABRN O=C(CCc1cccc(F)c1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257309036 463772630 /nfs/dbraw/zinc/77/26/30/463772630.db2.gz TZHARXPBQVKERG-GOSISDBHSA-N 0 0 343.402 2.409 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 ZINC000257311104 463773179 /nfs/dbraw/zinc/77/31/79/463773179.db2.gz UHYGEGOJRGLJJG-INIZCTEOSA-N 0 0 325.416 2.189 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccncc1 ZINC000257316547 463774529 /nfs/dbraw/zinc/77/45/29/463774529.db2.gz VGAZXFGMLHTHCR-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN Cn1cncc1-c1cncc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257327427 463779096 /nfs/dbraw/zinc/77/90/96/463779096.db2.gz XBHRAGLQWZMZDH-CYBMUJFWSA-N 0 0 327.432 2.314 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 ZINC000257326926 463779434 /nfs/dbraw/zinc/77/94/34/463779434.db2.gz WZDJJMGWYZUVNM-INIZCTEOSA-N 0 0 345.374 2.241 40 0 EEABRN Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CCn1ccnc1C(C)C ZINC000257334667 463782976 /nfs/dbraw/zinc/78/29/76/463782976.db2.gz YGXKAAAMJKRTLM-AWEZNQCLSA-N 0 0 331.420 2.028 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1nnnn1C1CC1 ZINC000195083857 463986891 /nfs/dbraw/zinc/98/68/91/463986891.db2.gz DEIXJMHZMCMKLW-BIGNPOOSSA-N 0 0 330.367 2.063 40 0 EEABRN Cc1nc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)s1 ZINC000179030280 464040774 /nfs/dbraw/zinc/04/07/74/464040774.db2.gz IMCXRGPOLSPCJW-UHFFFAOYSA-N 0 0 333.413 2.388 40 0 EEABRN NS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000195453597 464054461 /nfs/dbraw/zinc/05/44/61/464054461.db2.gz UEITVNLWYYTNFI-UHFFFAOYSA-N 0 0 344.436 2.284 40 0 EEABRN CCCN1CCN(C(=O)CCCn2ccnn2)c2cc(F)ccc21 ZINC000195579237 464080359 /nfs/dbraw/zinc/08/03/59/464080359.db2.gz MZEZYDZIHQEMBE-UHFFFAOYSA-N 0 0 331.395 2.461 40 0 EEABRN Cc1nc2ncnc(N3CCN(c4ccccc4O)CC3)c2nc1C ZINC000222286395 464129317 /nfs/dbraw/zinc/12/93/17/464129317.db2.gz NIBYKWWLFHAWJH-UHFFFAOYSA-N 0 0 336.399 2.069 40 0 EEABRN CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1OC ZINC000222914326 464134771 /nfs/dbraw/zinc/13/47/71/464134771.db2.gz GSPSZCBZGMXARJ-UHFFFAOYSA-N 0 0 348.424 2.270 40 0 EEABRN COC(=O)COc1ccc(I)c2cccnc12 ZINC000225391301 464157290 /nfs/dbraw/zinc/15/72/90/464157290.db2.gz FOBDTJQMKQZUEH-UHFFFAOYSA-N 0 0 343.120 2.391 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)nn1 ZINC000225420948 464158958 /nfs/dbraw/zinc/15/89/58/464158958.db2.gz PGNLDYDDNKXIPW-MRXNPFEDSA-N 0 0 336.395 2.420 40 0 EEABRN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc(N3CCCC3)nc1)CC2 ZINC000225520519 464167924 /nfs/dbraw/zinc/16/79/24/464167924.db2.gz YUVQPNJQAXRADG-HNNXBMFYSA-N 0 0 339.443 2.135 40 0 EEABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)C ZINC000225569716 464172721 /nfs/dbraw/zinc/17/27/21/464172721.db2.gz VPJZZKVHTGKOLQ-CQSZACIVSA-N 0 0 342.461 2.155 40 0 EEABRN COc1cc(=O)n(C)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000225651664 464178115 /nfs/dbraw/zinc/17/81/15/464178115.db2.gz FULKCAHEXGKHBH-UHFFFAOYSA-N 0 0 340.301 2.343 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)N[C@@H]1CCCC12CCOCC2 ZINC000225694148 464180666 /nfs/dbraw/zinc/18/06/66/464180666.db2.gz RBSVPMJSHMJYKQ-JKSUJKDBSA-N 0 0 340.464 2.078 40 0 EEABRN O=C(NCc1cn2c(n1)CCCC2)Nc1nnc(C(F)(F)F)s1 ZINC000263771896 464184393 /nfs/dbraw/zinc/18/43/93/464184393.db2.gz NIBKWXMEXCIKCB-UHFFFAOYSA-N 0 0 346.338 2.411 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238968940 464441284 /nfs/dbraw/zinc/44/12/84/464441284.db2.gz ZFOHBHXPBOEIRG-QMMMGPOBSA-N 0 0 330.266 2.323 40 0 EEABRN O=C(Nc1ccc2[nH]cnc2c1)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000239882106 464445363 /nfs/dbraw/zinc/44/53/63/464445363.db2.gz DAHARLXQSZZIIW-HOTGVXAUSA-N 0 0 342.399 2.062 40 0 EEABRN O=S(=O)(N[C@@]1(C(F)(F)F)CCOC1)c1ccc2c(c1)CCC2 ZINC000240412734 464446690 /nfs/dbraw/zinc/44/66/90/464446690.db2.gz FNWOQLOGCJPXLU-ZDUSSCGKSA-N 0 0 335.347 2.175 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000240934421 464449154 /nfs/dbraw/zinc/44/91/54/464449154.db2.gz JBYYWDCRYVMLLO-NSHDSACASA-N 0 0 347.337 2.219 40 0 EEABRN O=C(COCc1ccccc1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 ZINC000244933137 464465424 /nfs/dbraw/zinc/46/54/24/464465424.db2.gz CCYBLVUYTJAARI-QAQDUYKDSA-N 0 0 341.411 2.500 40 0 EEABRN CN1CC[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1=O ZINC000245338823 464470618 /nfs/dbraw/zinc/47/06/18/464470618.db2.gz OSICXIUAWZNHSK-DLOVCJGASA-N 0 0 342.226 2.379 40 0 EEABRN O=C(Cc1ccco1)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000247862573 464710766 /nfs/dbraw/zinc/71/07/66/464710766.db2.gz NFHPGHBOBDWFHJ-INIZCTEOSA-N 0 0 329.400 2.419 40 0 EEABRN O=C(c1ccnnc1)N1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000247876021 464712208 /nfs/dbraw/zinc/71/22/08/464712208.db2.gz TXHDPXGSYCYFEY-GOSISDBHSA-N 0 0 349.394 2.087 40 0 EEABRN CCn1cc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)cn1 ZINC000190808527 464724166 /nfs/dbraw/zinc/72/41/66/464724166.db2.gz SQALSXVKIOMPCO-MRXNPFEDSA-N 0 0 342.447 2.280 40 0 EEABRN CN(C[C@H](O)C(F)(F)F)[C@H](CO)c1cccc(Br)c1 ZINC000248397340 464747476 /nfs/dbraw/zinc/74/74/76/464747476.db2.gz RKVSULCWSKOVPY-MNOVXSKESA-N 0 0 342.155 2.338 40 0 EEABRN Cc1noc(Cl)c1CCC(=O)NCc1nnc(C2CCC2)n1C ZINC000184254710 464956906 /nfs/dbraw/zinc/95/69/06/464956906.db2.gz QGYZVPSEEMRJLZ-UHFFFAOYSA-N 0 0 337.811 2.281 40 0 EEABRN C[C@H](CCC1CC1)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000252549990 464983243 /nfs/dbraw/zinc/98/32/43/464983243.db2.gz RYSZDOGMSJWWIF-DJIMGWMZSA-N 0 0 334.460 2.123 40 0 EEABRN O=c1c2c(ncn1CCc1ccccn1)CN(Cc1ccccc1)CC2 ZINC000253425918 465010142 /nfs/dbraw/zinc/01/01/42/465010142.db2.gz INASBEDPGMFQQO-UHFFFAOYSA-N 0 0 346.434 2.439 40 0 EEABRN Cc1ncsc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000253432907 465015393 /nfs/dbraw/zinc/01/53/93/465015393.db2.gz POHLQHWZQPHVIE-CVEARBPZSA-N 0 0 345.468 2.064 40 0 EEABRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NOC(C)(C)CO ZINC000298553529 465430768 /nfs/dbraw/zinc/43/07/68/465430768.db2.gz YSNGCOAFLSKSCI-UHFFFAOYSA-N 0 0 340.330 2.189 40 0 EEABRN C[C@H](C(=O)N1CCOc2c(Br)cccc21)n1cncn1 ZINC000332016741 466346179 /nfs/dbraw/zinc/34/61/79/466346179.db2.gz ZAJFCSFEUALGJB-SECBINFHSA-N 0 0 337.177 2.027 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nccs3)CC2)o1 ZINC000332083553 466377553 /nfs/dbraw/zinc/37/75/53/466377553.db2.gz CGJJHFWVOFSGHW-LBPRGKRZSA-N 0 0 341.458 2.112 40 0 EEABRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cncc(F)c1 ZINC000332377477 466533074 /nfs/dbraw/zinc/53/30/74/466533074.db2.gz UBVMFAYGUGIJOD-ZBEGNZNMSA-N 0 0 336.388 2.233 40 0 EEABRN Fc1ccc2c(c1F)CN(c1nccc(N[C@H]3CCCOC3)n1)CC2 ZINC000333272670 466613704 /nfs/dbraw/zinc/61/37/04/466613704.db2.gz NYZPQBOGZNGTBL-ZDUSSCGKSA-N 0 0 346.381 2.908 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408582891 466681445 /nfs/dbraw/zinc/68/14/45/466681445.db2.gz FSMRVPQGLMIGQQ-CYBMUJFWSA-N 0 0 326.462 2.458 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)ccc1C ZINC000408600634 466682073 /nfs/dbraw/zinc/68/20/73/466682073.db2.gz BMFRRTUCTWDPLO-UHFFFAOYSA-N 0 0 334.397 2.164 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1 ZINC000409207349 466687163 /nfs/dbraw/zinc/68/71/63/466687163.db2.gz SKUBSAHHIDFIGI-UHFFFAOYSA-N 0 0 338.473 2.365 40 0 EEABRN Cc1cc(C(=O)N[C@@H](CCO)c2ccccc2Br)[nH]n1 ZINC000390833600 467414167 /nfs/dbraw/zinc/41/41/67/467414167.db2.gz JYGSKCBSUANGOD-LBPRGKRZSA-N 0 0 338.205 2.334 40 0 EEABRN CSc1cc2c(cc1NC(=O)NCCCc1nnc[nH]1)OCCO2 ZINC000390835103 467414780 /nfs/dbraw/zinc/41/47/80/467414780.db2.gz CPLDVBDKGNZKJV-UHFFFAOYSA-N 0 0 349.416 2.052 40 0 EEABRN COc1cc(C(=O)N[C@]2(CO)COc3ccccc3C2)ccc1C ZINC000529819146 467914706 /nfs/dbraw/zinc/91/47/06/467914706.db2.gz HKFVBYBLZCYRKX-LJQANCHMSA-N 0 0 327.380 2.100 40 0 EEABRN c1cnc(N2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000503886173 467938664 /nfs/dbraw/zinc/93/86/64/467938664.db2.gz JRBRDUDGPLOLSS-ULQDDVLXSA-N 0 0 326.400 2.215 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)CSc3ccncc3)C2)n1 ZINC000575413905 468142915 /nfs/dbraw/zinc/14/29/15/468142915.db2.gz PHDRTUAVNGQLLF-AWEZNQCLSA-N 0 0 344.440 2.260 40 0 EEABRN O=C(NC1CCN(c2cnsn2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000575606378 468146813 /nfs/dbraw/zinc/14/68/13/468146813.db2.gz GJPUSWSWHSPTMH-UHFFFAOYSA-N 0 0 346.431 2.494 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000585091928 468962370 /nfs/dbraw/zinc/96/23/70/468962370.db2.gz LKLNBZUVKJHCSL-AWEZNQCLSA-N 0 0 340.376 2.193 40 0 EEABRN CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585095946 468964534 /nfs/dbraw/zinc/96/45/34/468964534.db2.gz FZUXLMJEHDRLSA-OAHLLOKOSA-N 0 0 346.456 2.190 40 0 EEABRN CCCC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C ZINC000585097924 468965432 /nfs/dbraw/zinc/96/54/32/468965432.db2.gz PHEXWVLYIGUWTG-ZDUSSCGKSA-N 0 0 332.448 2.188 40 0 EEABRN Cc1ccccc1C(=O)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000585101623 468968715 /nfs/dbraw/zinc/96/87/15/468968715.db2.gz YAWLSOBZYVOVRF-LJQANCHMSA-N 0 0 336.395 2.054 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCCn3ccnc3)C2)c1 ZINC000585271696 468998665 /nfs/dbraw/zinc/99/86/65/468998665.db2.gz IOIPKTLHYHZNPF-LJQANCHMSA-N 0 0 343.427 2.014 40 0 EEABRN COc1nocc1CCC(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585275381 468999626 /nfs/dbraw/zinc/99/96/26/468999626.db2.gz DIHRNUVPWPFEMS-SJORKVTESA-N 0 0 344.411 2.068 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)CCn2ccnc2)C1 ZINC000585275817 469000357 /nfs/dbraw/zinc/00/03/57/469000357.db2.gz FSPFTEOGOCCKKG-LJQANCHMSA-N 0 0 343.427 2.278 40 0 EEABRN O=C(CN1CCC[C@H](O)[C@@H]1Cc1ccccc1)Nc1ccccn1 ZINC000585276477 469000464 /nfs/dbraw/zinc/00/04/64/469000464.db2.gz LXPRVFOYCBLJKW-IRXDYDNUSA-N 0 0 325.412 2.088 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1Cc1ccc(C)cc1 ZINC000585276281 469000536 /nfs/dbraw/zinc/00/05/36/469000536.db2.gz HRPKXSQCBNUWRP-QZTJIDSGSA-N 0 0 327.428 2.298 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCN(C(=O)CC3(O)CCCCC3)C2)c1 ZINC000585277011 469001516 /nfs/dbraw/zinc/00/15/16/469001516.db2.gz RICAYVWRVJCZIM-HXUWFJFHSA-N 0 0 347.455 2.423 40 0 EEABRN Cc1cc(C)nc(N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)n1 ZINC000585278091 469002863 /nfs/dbraw/zinc/00/28/63/469002863.db2.gz ZLJLDARDHIDPNC-SFHVURJKSA-N 0 0 331.391 2.043 40 0 EEABRN CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585278387 469003294 /nfs/dbraw/zinc/00/32/94/469003294.db2.gz SBSQFKXPTAQUPS-LJQANCHMSA-N 0 0 344.386 2.460 40 0 EEABRN CCCCCCSC1=NC(=O)C2=c3ccccc3=NC(C)(C)N2N1 ZINC000588225146 469130883 /nfs/dbraw/zinc/13/08/83/469130883.db2.gz UWLBGDDEBLWKPP-UHFFFAOYSA-N 0 0 344.484 2.180 40 0 EEABRN CC[C@H](C)n1nc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1C ZINC000679188213 485609862 /nfs/dbraw/zinc/60/98/62/485609862.db2.gz WBTLOSFQOBJKOL-SUMWQHHRSA-N 0 0 340.427 2.476 40 0 EEABRN CC(C)c1noc(CCC(=O)N[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000131066607 528493623 /nfs/dbraw/zinc/49/36/23/528493623.db2.gz LGLVVJGCOUSVKS-AWEZNQCLSA-N 0 0 343.431 2.306 40 0 EEABRN CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)on1 ZINC000257313193 536114627 /nfs/dbraw/zinc/11/46/27/536114627.db2.gz URJBKFGUXWHPCU-WMZOPIPTSA-N 0 0 330.384 2.282 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000229789491 536308739 /nfs/dbraw/zinc/30/87/39/536308739.db2.gz TXPTYHUPIKJJCT-VYDXJSESSA-N 0 0 334.391 2.030 40 0 EEABRN CCOc1cc(N(C)Cc2ncc(Br)cn2)nc(C)n1 ZINC000895333271 684503434 /nfs/dbraw/zinc/50/34/34/684503434.db2.gz CKFKXMOOUNNOJF-UHFFFAOYSA-N 0 0 338.209 2.373 40 0 EEABRN C[C@H](CNc1ccccc1)NC(=O)c1coc2c1C(=O)NCCC2 ZINC000896420105 684977729 /nfs/dbraw/zinc/97/77/29/684977729.db2.gz VFWDOYDZKBRQBT-GFCCVEGCSA-N 0 0 327.384 2.186 40 0 EEABRN COC(=O)[C@H](C)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000051880191 214106249 /nfs/dbraw/zinc/10/62/49/214106249.db2.gz MRIXQMOJJKIQMZ-ZDUSSCGKSA-N 0 0 336.407 2.024 40 0 EEABRN C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000176701550 231711982 /nfs/dbraw/zinc/71/19/82/231711982.db2.gz RQDSULWSYVIOOC-GFCCVEGCSA-N 0 0 333.413 2.444 40 0 EEABRN O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)c1ccccc1 ZINC000004260411 210153995 /nfs/dbraw/zinc/15/39/95/210153995.db2.gz PGTKORCGZPTSGG-WJFTUGDTSA-N 0 0 339.391 2.168 40 0 biogenic,in-vitro EEABRN CC(C)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101626525 219147428 /nfs/dbraw/zinc/14/74/28/219147428.db2.gz WLBJZAAQNNGPAM-OKILXGFUSA-N 0 0 343.427 2.021 40 0 EEABRN CS(=O)(=O)N1CCC(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000045202250 213714349 /nfs/dbraw/zinc/71/43/49/213714349.db2.gz QQALSRPUQXBDOF-UHFFFAOYSA-N 0 0 346.452 2.128 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000096426249 282581439 /nfs/dbraw/zinc/58/14/39/282581439.db2.gz DTUZSHGCRZNMCR-QGZVFWFLSA-N 0 0 338.411 2.130 40 0 EEABRN CCCCc1noc([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000041123160 213419276 /nfs/dbraw/zinc/41/92/76/213419276.db2.gz HVNLZDZKJSOXIC-OAHLLOKOSA-N 0 0 345.447 2.485 40 0 EEABRN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1ccc3c(c1)OCO3)O2 ZINC000040778512 213385791 /nfs/dbraw/zinc/38/57/91/213385791.db2.gz RYYQBFJKHVEDGP-SFHVURJKSA-N 0 0 340.335 2.452 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 ZINC000040714817 213373240 /nfs/dbraw/zinc/37/32/40/213373240.db2.gz FAJODIRBQNSGCW-LLVKDONJSA-N 0 0 335.433 2.448 40 0 EEABRN Cn1nc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)ccc1=O ZINC000044889471 282801578 /nfs/dbraw/zinc/80/15/78/282801578.db2.gz VCMCMEDSFHCGRP-NSHDSACASA-N 0 0 335.816 2.401 40 0 EEABRN CCCCn1c2nc(CN3CCCCCC3)n(CC)c2c(=O)[nH]c1=O ZINC000039987659 213249469 /nfs/dbraw/zinc/24/94/69/213249469.db2.gz DUXHQEIXYBNWEX-UHFFFAOYSA-N 0 0 347.463 2.082 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)CC2)no1 ZINC000039519446 213240032 /nfs/dbraw/zinc/24/00/32/213240032.db2.gz RTGWKPCZOVBDMV-ZVZYQTTQSA-N 0 0 348.491 2.042 40 0 EEABRN NC(=O)[C@H](NC[C@@H]1CCCCO1)c1ccc(Br)cc1F ZINC000096437019 283343526 /nfs/dbraw/zinc/34/35/26/283343526.db2.gz AREBWVUPESMHMB-GXFFZTMASA-N 0 0 345.212 2.273 40 0 EEABRN Nc1nnnn1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000007602451 236894156 /nfs/dbraw/zinc/89/41/56/236894156.db2.gz ANVJLEKWIMTFDH-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN Cc1ccc2c(c1)cc(C)c1nn(CC(=O)Nc3ccccn3)c(=O)n12 ZINC000072347044 216161037 /nfs/dbraw/zinc/16/10/37/216161037.db2.gz MSUTZYHZFBQQSE-UHFFFAOYSA-N 0 0 347.378 2.300 40 0 EEABRN Cc1cc(Nc2cccc(CC3CC[NH+](CC(=O)[O-])CC3)n2)no1 ZINC000072363511 216170133 /nfs/dbraw/zinc/17/01/33/216170133.db2.gz KCZAVHACMLDEBK-UHFFFAOYSA-N 0 0 330.388 2.461 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@H]2CCN(c3ncccn3)C2)n1 ZINC000072382555 216182424 /nfs/dbraw/zinc/18/24/24/216182424.db2.gz SAMXMQIGDJZLQB-ZDUSSCGKSA-N 0 0 334.387 2.103 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCCc2ccccc2)c1 ZINC000024259754 212415371 /nfs/dbraw/zinc/41/53/71/212415371.db2.gz YBIVUKVFERCGLH-UHFFFAOYSA-N 0 0 333.409 2.384 40 0 EEABRN Cc1ccc(CN(C)C(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000022432079 212296266 /nfs/dbraw/zinc/29/62/66/212296266.db2.gz UWQBVJIXKOEUAF-UHFFFAOYSA-N 0 0 346.452 2.420 40 0 EEABRN COC(=O)[C@H]1CC[C@@H](NC(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000195039004 240810992 /nfs/dbraw/zinc/81/09/92/240810992.db2.gz VMDKCUXLWVUHPZ-UONOGXRCSA-N 0 0 329.400 2.351 40 0 EEABRN Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000195574221 241020973 /nfs/dbraw/zinc/02/09/73/241020973.db2.gz DPUCRYONHWLMKA-HNNXBMFYSA-N 0 0 326.400 2.130 40 0 EEABRN Cc1cc(N2CC[C@@H](SCCC(=O)OC(C)(C)C)C2=O)n(C)n1 ZINC000225641906 241965212 /nfs/dbraw/zinc/96/52/12/241965212.db2.gz USBYWLCBYVFGIR-GFCCVEGCSA-N 0 0 339.461 2.299 40 0 EEABRN CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000225934416 242079847 /nfs/dbraw/zinc/07/98/47/242079847.db2.gz FYNXRHMQVPGWAF-UHFFFAOYSA-N 0 0 338.473 2.327 40 0 EEABRN CCN(C[C@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000225726942 242006971 /nfs/dbraw/zinc/00/69/71/242006971.db2.gz XUUCSMHPJFPHRR-JSGCOSHPSA-N 0 0 346.349 2.046 40 0 EEABRN Cc1nc2ccccc2c(=O)n1CCS(=O)(=O)c1ccc(F)cc1 ZINC000225732438 242010739 /nfs/dbraw/zinc/01/07/39/242010739.db2.gz XCCMHOGVSFPCPB-UHFFFAOYSA-N 0 0 346.383 2.318 40 0 EEABRN COc1cccc(OC)c1CCC(=O)Nc1ccc(CC(N)=O)cc1 ZINC000225993312 242085961 /nfs/dbraw/zinc/08/59/61/242085961.db2.gz ZTOFHOPMKKJRBC-UHFFFAOYSA-N 0 0 342.395 2.303 40 0 EEABRN Cc1nc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000230122531 242233942 /nfs/dbraw/zinc/23/39/42/242233942.db2.gz UAXFYEIYRAVNJD-CJNGLKHVSA-N 0 0 343.431 2.088 40 0 EEABRN CC(C)(C)n1cc(CN2CCCC[C@H]2C(=O)NCC(F)F)cn1 ZINC000449599579 242572795 /nfs/dbraw/zinc/57/27/95/242572795.db2.gz HAUIPPWRSLNTLI-ZDUSSCGKSA-N 0 0 328.407 2.374 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000020765882 212169951 /nfs/dbraw/zinc/16/99/51/212169951.db2.gz VAZGIRCIWSPMHT-UHFFFAOYSA-N 0 0 344.436 2.496 40 0 EEABRN Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1C ZINC000246489525 243259632 /nfs/dbraw/zinc/25/96/32/243259632.db2.gz NOUMYBMGJMSLCL-PVAVHDDUSA-N 0 0 345.443 2.183 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020451267 212130171 /nfs/dbraw/zinc/13/01/71/212130171.db2.gz PXXNVMGZILHWJQ-UHFFFAOYSA-N 0 0 349.364 2.144 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)ccn1 ZINC000257205328 244134674 /nfs/dbraw/zinc/13/46/74/244134674.db2.gz AYNLDCULRUBYDP-MRXNPFEDSA-N 0 0 327.432 2.425 40 0 EEABRN COCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257204076 244128115 /nfs/dbraw/zinc/12/81/15/244128115.db2.gz ASYOVMABLBWSIG-GFCCVEGCSA-N 0 0 347.444 2.256 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)CC)C2)nc1C ZINC000257214506 244163413 /nfs/dbraw/zinc/16/34/13/244163413.db2.gz CMFNJZOHMXXQBE-HNNXBMFYSA-N 0 0 346.475 2.278 40 0 EEABRN CC(=O)N1CCN(C(=O)CCn2ccc(C)n2)C[C@@H]1c1ccccc1 ZINC000257222604 244187193 /nfs/dbraw/zinc/18/71/93/244187193.db2.gz DTZAUVAVXLHDPY-GOSISDBHSA-N 0 0 340.427 2.014 40 0 EEABRN Nc1nccnc1[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1 ZINC000257222550 244189267 /nfs/dbraw/zinc/18/92/67/244189267.db2.gz DTSJFTWJAOIZJB-SNVBAGLBSA-N 0 0 325.294 2.051 40 0 EEABRN Cc1csc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)c1 ZINC000257229207 244206640 /nfs/dbraw/zinc/20/66/40/244206640.db2.gz FXEGPABIXUFZTN-KRWDZBQOSA-N 0 0 349.431 2.352 40 0 EEABRN CC(=O)N1CCC(Cc2nc(C)cc(-c3cnc(C)n3C)n2)CC1 ZINC000257232253 244215931 /nfs/dbraw/zinc/21/59/31/244215931.db2.gz GJZMJJYAOJXUPG-UHFFFAOYSA-N 0 0 327.432 2.295 40 0 EEABRN CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257242942 244247132 /nfs/dbraw/zinc/24/71/32/244247132.db2.gz IEUXDZGZTLUCLR-OAHLLOKOSA-N 0 0 338.415 2.242 40 0 EEABRN CNC(=O)CN1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250116 244265429 /nfs/dbraw/zinc/26/54/29/244265429.db2.gz JLCBNHZAXDPATI-ZDUSSCGKSA-N 0 0 344.390 2.333 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)n1 ZINC000257256872 244284902 /nfs/dbraw/zinc/28/49/02/244284902.db2.gz KNGDYUWCCBWLKW-SFHVURJKSA-N 0 0 340.427 2.339 40 0 EEABRN O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257258743 244289380 /nfs/dbraw/zinc/28/93/80/244289380.db2.gz KVIAXJNBNMKZRL-HNNXBMFYSA-N 0 0 337.423 2.297 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@H](c2ccncc2)C1 ZINC000257269392 244371021 /nfs/dbraw/zinc/37/10/21/244371021.db2.gz MPTZZGICIASSFU-KRWDZBQOSA-N 0 0 338.411 2.291 40 0 EEABRN CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)nc(C)n1 ZINC000257276821 244393529 /nfs/dbraw/zinc/39/35/29/244393529.db2.gz NVGZEBPVTHPMFX-HNNXBMFYSA-N 0 0 332.429 2.353 40 0 EEABRN Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1ccsc1 ZINC000257276496 244394814 /nfs/dbraw/zinc/39/48/14/244394814.db2.gz NTZXSUPAGJHQSU-OAHLLOKOSA-N 0 0 331.441 2.249 40 0 EEABRN C[C@]1(C(=O)NC2CCCC2)CN(Cc2nc3ccccc3[nH]2)CCO1 ZINC000019747053 212061481 /nfs/dbraw/zinc/06/14/81/212061481.db2.gz TUMCRDDKFAEBAG-LJQANCHMSA-N 0 0 342.443 2.213 40 0 EEABRN Cc1cc(C)n(CC(=O)NCCCc2ccc(Cl)cc2)c(=O)n1 ZINC000019572401 212046038 /nfs/dbraw/zinc/04/60/38/212046038.db2.gz MNUSSBMNRGIHSP-UHFFFAOYSA-N 0 0 333.819 2.263 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2C[C@@H]3c4n[nH]cc4CC[C@@H]3C2)n1 ZINC000019574131 212045957 /nfs/dbraw/zinc/04/59/57/212045957.db2.gz DAJQRFYIPJWTTL-CVEARBPZSA-N 0 0 327.432 2.192 40 0 EEABRN COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccccc1 ZINC000015676516 284198229 /nfs/dbraw/zinc/19/82/29/284198229.db2.gz VQDCBLVZBMAKOX-HNNXBMFYSA-N 0 0 327.384 2.204 40 0 biogenic,in-vitro EEABRN COCCC(=O)N[C@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 ZINC000019575550 212045368 /nfs/dbraw/zinc/04/53/68/212045368.db2.gz BKQANAOLEOIHOZ-LLVKDONJSA-N 0 0 343.362 2.144 40 0 EEABRN CCc1nccn1CCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000019523657 212038560 /nfs/dbraw/zinc/03/85/60/212038560.db2.gz ZXUOMATTZCWQKR-UHFFFAOYSA-N 0 0 326.400 2.383 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)cc1Cl ZINC000077939055 217004041 /nfs/dbraw/zinc/00/40/41/217004041.db2.gz YUZXZDNIDKKVMW-ZANVPECISA-N 0 0 328.771 2.085 40 0 EEABRN CCN(CC)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000078167907 217029307 /nfs/dbraw/zinc/02/93/07/217029307.db2.gz NCMUEHMVSSHJPI-UHFFFAOYSA-N 0 0 337.363 2.434 40 0 EEABRN Cc1nc(-c2cccnc2)nc(N(C)CCN2CCCC2=O)c1C ZINC000078254611 217034391 /nfs/dbraw/zinc/03/43/91/217034391.db2.gz WHSHJJYAPFNGSK-UHFFFAOYSA-N 0 0 325.416 2.214 40 0 EEABRN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)ncc2C1 ZINC000019018173 211997137 /nfs/dbraw/zinc/99/71/37/211997137.db2.gz PWIZPZAAZKSTGQ-QGZVFWFLSA-N 0 0 342.443 2.235 40 0 EEABRN COCCN1C[C@H](C(=O)O[C@H]2CSCc3ccccc32)CC1=O ZINC000078442705 217053564 /nfs/dbraw/zinc/05/35/64/217053564.db2.gz UGNDKJZGGYGOKJ-HIFRSBDPSA-N 0 0 335.425 2.013 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NCCc2nc(C(C)(C)C)cs2)c1C ZINC000078551933 217074277 /nfs/dbraw/zinc/07/42/77/217074277.db2.gz XKSCUXDVYJSSPS-UHFFFAOYSA-N 0 0 348.472 2.124 40 0 EEABRN C[C@@H](Cc1nnc(SCCNS(C)(=O)=O)o1)c1ccccc1 ZINC000078614670 217087790 /nfs/dbraw/zinc/08/77/90/217087790.db2.gz CVUXKDSIZQGOBA-NSHDSACASA-N 0 0 341.458 2.057 40 0 EEABRN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCO[C@H](CO)C1 ZINC000078897965 217141937 /nfs/dbraw/zinc/14/19/37/217141937.db2.gz SRBYBHOPCXLOKQ-INIZCTEOSA-N 0 0 336.407 2.040 40 0 EEABRN CCNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000078924642 217148575 /nfs/dbraw/zinc/14/85/75/217148575.db2.gz QZHDBMKIEPFWPB-UHFFFAOYSA-N 0 0 342.237 2.117 40 0 EEABRN Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000079028994 217178046 /nfs/dbraw/zinc/17/80/46/217178046.db2.gz HGNZKDDKVREWQS-OAHLLOKOSA-N 0 0 332.787 2.437 40 0 EEABRN O=C1[C@@H](N2CCN(Cc3cccnc3)CC2)CCN1c1ccccc1 ZINC000079035277 217178681 /nfs/dbraw/zinc/17/86/81/217178681.db2.gz ORJGKEYQKAMNAH-IBGZPJMESA-N 0 0 336.439 2.005 40 0 EEABRN C[C@H](Oc1ccccc1Br)C(=O)NCCC[S@](C)=O ZINC000079001722 217172510 /nfs/dbraw/zinc/17/25/10/217172510.db2.gz FGDGPQOOBPASHT-APBUJDDRSA-N 0 0 348.262 2.101 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)no1 ZINC000079001614 217172781 /nfs/dbraw/zinc/17/27/81/217172781.db2.gz BBBBVEDXYZNOAU-UHFFFAOYSA-N 0 0 334.807 2.298 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)on3)c2c1 ZINC000079051052 217183532 /nfs/dbraw/zinc/18/35/32/217183532.db2.gz PWMYODSMMAVHPO-UHFFFAOYSA-N 0 0 329.356 2.211 40 0 EEABRN Cc1ccc(NCCNC(=O)[C@H]2SCCc3sccc32)nn1 ZINC000079947389 217267202 /nfs/dbraw/zinc/26/72/02/217267202.db2.gz AENTWUWTLDIUBI-AWEZNQCLSA-N 0 0 334.470 2.405 40 0 EEABRN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000080892371 217338732 /nfs/dbraw/zinc/33/87/32/217338732.db2.gz UBRTVQKVUYNUJD-MBVDDHJVSA-N 0 0 339.848 2.481 40 0 EEABRN CO[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)c1cccc(Cl)c1 ZINC000081327867 217382911 /nfs/dbraw/zinc/38/29/11/217382911.db2.gz GUNOLYBCPOFVFW-INIZCTEOSA-N 0 0 338.835 2.402 40 0 EEABRN C[C@@H](C(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000084543257 217613336 /nfs/dbraw/zinc/61/33/36/217613336.db2.gz IIDIHCNQCDVCNO-CYBMUJFWSA-N 0 0 348.468 2.387 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)[C@H]1CC=CCC1 ZINC000085467772 217671063 /nfs/dbraw/zinc/67/10/63/217671063.db2.gz KNESCDOKEHXUGW-DOTOQJQBSA-N 0 0 345.418 2.235 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC000096055482 296263790 /nfs/dbraw/zinc/26/37/90/296263790.db2.gz LLCKFBJSGXELQI-USXIJHARSA-N 0 0 339.395 2.175 40 0 EEABRN Cn1nc(C2CCN(C(=O)C3CCC(=O)CC3)CC2)c2cccnc21 ZINC000012186806 211312960 /nfs/dbraw/zinc/31/29/60/211312960.db2.gz OVDWOQDZWATXHI-UHFFFAOYSA-N 0 0 340.427 2.434 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)CCn1ncc2ccccc21 ZINC000012183188 211311818 /nfs/dbraw/zinc/31/18/18/211311818.db2.gz ZLMXHWPNAXPUFB-CQSZACIVSA-N 0 0 348.410 2.376 40 0 EEABRN CCCc1nn(CC(=O)NC2CCC2)c(=O)c2cc3ccsc3n21 ZINC000012181741 211311590 /nfs/dbraw/zinc/31/15/90/211311590.db2.gz SHLVJVFAEXXKGO-UHFFFAOYSA-N 0 0 344.440 2.332 40 0 EEABRN Cc1noc(C)c1C(=O)NCCc1nc(C)ncc1-c1ccncc1 ZINC000012133938 211302337 /nfs/dbraw/zinc/30/23/37/211302337.db2.gz YTLUATYXUCBCSU-UHFFFAOYSA-N 0 0 337.383 2.424 40 0 EEABRN C=Cn1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122795 211300242 /nfs/dbraw/zinc/30/02/42/211300242.db2.gz YCJVOMFRDKVADN-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN CCOC(=O)CC(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 ZINC000012120313 211298451 /nfs/dbraw/zinc/29/84/51/211298451.db2.gz IHVFWWLQQVXHEU-GFCCVEGCSA-N 0 0 334.416 2.459 40 0 EEABRN CCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000012115387 211294826 /nfs/dbraw/zinc/29/48/26/211294826.db2.gz MTMNRSPFSZAZEI-UHFFFAOYSA-N 0 0 344.440 2.204 40 0 EEABRN Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115232 211294687 /nfs/dbraw/zinc/29/46/87/211294687.db2.gz XWOBDMDJTPKPMH-NSHDSACASA-N 0 0 344.440 2.278 40 0 EEABRN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc(-c2cnccn2)n[nH]1 ZINC000012115807 211294252 /nfs/dbraw/zinc/29/42/52/211294252.db2.gz GILGLNSGBPZKFF-OAHLLOKOSA-N 0 0 349.398 2.308 40 0 EEABRN NC(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012113305 211293507 /nfs/dbraw/zinc/29/35/07/211293507.db2.gz QFWIPHOWUBXDOC-UHFFFAOYSA-N 0 0 338.392 2.048 40 0 EEABRN Cc1cc(NCCCn2ccnc2)n2nc(-c3nccn3C)cc2n1 ZINC000012087618 211288269 /nfs/dbraw/zinc/28/82/69/211288269.db2.gz FLWHPJNCHYYTDU-UHFFFAOYSA-N 0 0 336.403 2.137 40 0 EEABRN Cc1cccc(=O)n1CCCCNC(=O)NC[C@H](O)c1cccs1 ZINC000095399483 218333128 /nfs/dbraw/zinc/33/31/28/218333128.db2.gz ULMFKQILJDCUKY-AWEZNQCLSA-N 0 0 349.456 2.031 40 0 EEABRN C[C@@H](CC[C@H]1CCCO1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000095401847 218336545 /nfs/dbraw/zinc/33/65/45/218336545.db2.gz POXFKHBVYDRCRA-GXSJLCMTSA-N 0 0 343.221 2.215 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065973 218562976 /nfs/dbraw/zinc/56/29/76/218562976.db2.gz RHEDYSXLZDVBLH-CPUCHLNUSA-N 0 0 343.383 2.137 40 0 EEABRN Cn1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)n1 ZINC000096111054 218607374 /nfs/dbraw/zinc/60/73/74/218607374.db2.gz JCJMVOMYIWKOLV-BEFAXECRSA-N 0 0 340.427 2.274 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@]2(CC(C(=O)NC3CCC3)=NO2)C1 ZINC000096225564 218702485 /nfs/dbraw/zinc/70/24/85/218702485.db2.gz HXNWYTXZMKMFKJ-KRWDZBQOSA-N 0 0 347.440 2.086 40 0 EEABRN NC(=O)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000096404732 218755121 /nfs/dbraw/zinc/75/51/21/218755121.db2.gz JPENEENUSKIHMJ-AXTRIDKLSA-N 0 0 327.211 2.431 40 0 EEABRN O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1 ZINC000096411383 218767231 /nfs/dbraw/zinc/76/72/31/218767231.db2.gz QDYMWBLRTARAMJ-CYBMUJFWSA-N 0 0 349.374 2.445 40 0 EEABRN CC(C)COc1ccc([C@H](C)NC(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000268365608 251857562 /nfs/dbraw/zinc/85/75/62/251857562.db2.gz VDGCROHFNOWMDL-WMLDXEAASA-N 0 0 336.432 2.185 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)NC[C@@](C)(O)c2cnn(C)c2)cc(C)c1F ZINC000096440892 218821933 /nfs/dbraw/zinc/82/19/33/218821933.db2.gz DAZGSAKRQGUKHX-FZKQIMNGSA-N 0 0 348.422 2.444 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000096440610 218822072 /nfs/dbraw/zinc/82/20/72/218822072.db2.gz RCLHHPCYEAHRQA-UTUOFQBUSA-N 0 0 333.354 2.124 40 0 EEABRN C[C@](O)(CNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccsc1 ZINC000096450378 218832790 /nfs/dbraw/zinc/83/27/90/218832790.db2.gz YUOQCAZTDLUODX-WBVHZDCISA-N 0 0 330.409 2.265 40 0 EEABRN Cc1cnc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)o1 ZINC000096449955 218832955 /nfs/dbraw/zinc/83/29/55/218832955.db2.gz RPKGPKMUUSGLNG-UHFFFAOYSA-N 0 0 336.417 2.283 40 0 EEABRN CN(C)c1cccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@]32C)c1 ZINC000005612270 210500496 /nfs/dbraw/zinc/50/04/96/210500496.db2.gz MFXZNEBLSYHVNK-OCCSQVGLSA-N 0 0 342.511 2.146 40 0 EEABRN C[C@@H](NC(=O)c1cnc[nH]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096461617 218844097 /nfs/dbraw/zinc/84/40/97/218844097.db2.gz SZCFRCRSCIJTNF-LLVKDONJSA-N 0 0 332.379 2.001 40 0 EEABRN C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(-n2ccnc2)cc1 ZINC000096462592 218844817 /nfs/dbraw/zinc/84/48/17/218844817.db2.gz JPELHHKBEVUSGR-WMLDXEAASA-N 0 0 349.456 2.422 40 0 EEABRN Cc1ccc(=O)n(CC(=O)NCC2(Cc3ccccc3)CCC2)n1 ZINC000096465857 218845532 /nfs/dbraw/zinc/84/55/32/218845532.db2.gz MPSJLXAGVWCSRO-UHFFFAOYSA-N 0 0 325.412 2.081 40 0 EEABRN COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1cc(C)on1 ZINC000096455965 218841002 /nfs/dbraw/zinc/84/10/02/218841002.db2.gz GMATZGVHYWHPKR-HNNXBMFYSA-N 0 0 345.330 2.118 40 0 EEABRN Cc1ccc(CCNC(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000097376459 219019287 /nfs/dbraw/zinc/01/92/87/219019287.db2.gz JHICARPASKFQPM-UHFFFAOYSA-N 0 0 339.443 2.168 40 0 EEABRN COc1ccc([C@H](N)c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095533790 257701128 /nfs/dbraw/zinc/70/11/28/257701128.db2.gz ZKIWJLDJYUHCQT-KRWDZBQOSA-N 0 0 340.383 2.449 40 0 EEABRN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2nccs2)cn1 ZINC000306130807 257919888 /nfs/dbraw/zinc/91/98/88/257919888.db2.gz JPZKRXFSCMIABO-JKSUJKDBSA-N 0 0 332.473 2.489 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CCCO3)CCC(=O)N2C)cc1 ZINC000253390003 292238020 /nfs/dbraw/zinc/23/80/20/292238020.db2.gz OMPUWUUVLXMVDR-JFIYKMOQSA-N 0 0 330.428 2.200 40 0 EEABRN COc1ccc(C(=O)N2CC[C@@H](OC)[C@H]3OCC[C@@H]32)cc1Cl ZINC000096218262 286279943 /nfs/dbraw/zinc/27/99/43/286279943.db2.gz UWRGCPADMILARA-CFVMTHIKSA-N 0 0 325.792 2.367 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](C)O)[C@H](C)C2 ZINC000135552798 292360482 /nfs/dbraw/zinc/36/04/82/292360482.db2.gz DDIRMMHIDDARNA-AHEZYBDSSA-N 0 0 332.444 2.410 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1Cc1nc3ccccc3c(=O)n1C2 ZINC000012086279 275014356 /nfs/dbraw/zinc/01/43/56/275014356.db2.gz CSCQZLAGHQJHLO-UONOGXRCSA-N 0 0 346.390 2.021 40 0 EEABRN CC(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000010153734 275741962 /nfs/dbraw/zinc/74/19/62/275741962.db2.gz SHWMKZFCHOAXHS-MRXNPFEDSA-N 0 0 344.411 2.239 40 0 EEABRN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000096251720 276745134 /nfs/dbraw/zinc/74/51/34/276745134.db2.gz WWEPFGWKBNAQKM-ZOBUZTSGSA-N 0 0 339.395 2.461 40 0 EEABRN CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)c1 ZINC000253421766 277077019 /nfs/dbraw/zinc/07/70/19/277077019.db2.gz QWUVYFGTNBAPGJ-ZDUSSCGKSA-N 0 0 336.363 2.200 40 0 EEABRN COCC(=O)N[C@H]1CC2(CCN(CCF)CC2)Oc2ccccc21 ZINC000096242740 277480303 /nfs/dbraw/zinc/48/03/03/277480303.db2.gz OQDPWTVBTXUBIJ-HNNXBMFYSA-N 0 0 336.407 2.077 40 0 EEABRN C[C@@H]1c2cc(F)ccc2CCN1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000096446314 278106011 /nfs/dbraw/zinc/10/60/11/278106011.db2.gz MDLMEHNTISLBOT-GFCCVEGCSA-N 0 0 339.432 2.486 40 0 EEABRN CC1=C(C(=O)Nc2ccccc2)C2(CCCC2)[C@H](C(N)=O)C(=S)N1 ZINC000095117540 278487843 /nfs/dbraw/zinc/48/78/43/278487843.db2.gz IEVQCILNQIYIEH-CQSZACIVSA-N 0 0 343.452 2.492 40 0 EEABRN Cc1ccccc1[C@H](O)[C@](Cl)(Br)S(C)(=O)=O ZINC000096519771 278963738 /nfs/dbraw/zinc/96/37/38/278963738.db2.gz ZOYKSIVIHAZIPU-VHSXEESVSA-N 0 0 327.627 2.361 40 0 EEABRN CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCC(C(N)=O)CC1 ZINC000004849872 279196486 /nfs/dbraw/zinc/19/64/86/279196486.db2.gz VAKVANAXYQTCLN-OAHLLOKOSA-N 0 0 334.468 2.073 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C[C@@H]1CCCCO1 ZINC000257317828 289028278 /nfs/dbraw/zinc/02/82/78/289028278.db2.gz VLIFBPOPUGEGFF-ZFWWWQNUSA-N 0 0 348.447 2.124 40 0 EEABRN CN1C(=O)C[C@@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]1c1ccccc1 ZINC000035105637 289821581 /nfs/dbraw/zinc/82/15/81/289821581.db2.gz AJMACYPRLQPIQV-ZIFCJYIRSA-N 0 0 338.407 2.056 40 0 EEABRN Cc1nc(NC(=O)C(F)(F)F)ccc1I ZINC000057316763 293311754 /nfs/dbraw/zinc/31/17/54/293311754.db2.gz LRANDQMMBXYTLO-UHFFFAOYSA-N 0 0 330.047 2.495 40 0 EEABRN Cc1sc(=O)n(CCC(=O)N2CCSc3ncccc32)c1C ZINC000096425392 294068127 /nfs/dbraw/zinc/06/81/27/294068127.db2.gz HAGDYGKKNWZUSL-UHFFFAOYSA-N 0 0 335.454 2.451 40 0 EEABRN O=C(CN1CCCC1=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000153478195 295499298 /nfs/dbraw/zinc/49/92/98/295499298.db2.gz NUWIRKNMOFHLFV-UHFFFAOYSA-N 0 0 328.290 2.053 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322410 302317491 /nfs/dbraw/zinc/31/74/91/302317491.db2.gz WFWANWXZFIWVED-INIZCTEOSA-N 0 0 326.448 2.456 40 0 EEABRN O=C(N[C@H]1CCC(=O)N[C@H]1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000019345542 303943938 /nfs/dbraw/zinc/94/39/38/303943938.db2.gz OCMGQLPUMWHYSZ-KSSFIOAISA-N 0 0 344.411 2.373 40 0 EEABRN C[C@H](COC1CCCC1)CS(=O)(=O)N1CC2(C1)CCCOC2 ZINC000328752236 311617833 /nfs/dbraw/zinc/61/78/33/311617833.db2.gz NHPZDGPPDHHBLE-CQSZACIVSA-N 0 0 331.478 2.024 40 0 EEABRN Cc1nnc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)s1 ZINC000330064180 311721211 /nfs/dbraw/zinc/72/12/11/311721211.db2.gz QVMZRQNODFKOQG-QWRGUYRKSA-N 0 0 340.449 2.250 40 0 EEABRN CCS(=O)(=O)c1cccc(CNC(=O)NCc2cccnc2C)c1 ZINC000527904497 317283991 /nfs/dbraw/zinc/28/39/91/317283991.db2.gz OIYGWYPJJWWUQW-UHFFFAOYSA-N 0 0 347.440 2.183 40 0 EEABRN CCSCCn1cc(F)cc(I)c1=O ZINC000097371704 323322293 /nfs/dbraw/zinc/32/22/93/323322293.db2.gz OPEIYDYPBFLVHI-UHFFFAOYSA-N 0 0 327.162 2.345 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000191104190 323472465 /nfs/dbraw/zinc/47/24/65/323472465.db2.gz WMUTYQHOWYQFJY-VXGBXAGGSA-N 0 0 339.427 2.408 40 0 EEABRN CCOc1cccc(N2CCN(C(=O)CC[C@@H]3CC[C@H](C)O3)CC2)n1 ZINC000173168732 464202058 /nfs/dbraw/zinc/20/20/58/464202058.db2.gz LNMAGOYRSQPEGA-HOTGVXAUSA-N 0 0 347.459 2.477 40 0 EEABRN CC(=O)NC(C)(C)c1noc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000193203205 465028144 /nfs/dbraw/zinc/02/81/44/465028144.db2.gz WYAYRQOFXCVNLU-CQSZACIVSA-N 0 0 342.399 2.418 40 0 EEABRN Cc1ccc(N2C[C@H](C(=O)N(C)CCc3ccncc3)CC2=O)cc1 ZINC000060194563 462539856 /nfs/dbraw/zinc/53/98/56/462539856.db2.gz CAFAQJMDCINWBY-QGZVFWFLSA-N 0 0 337.423 2.444 40 0 EEABRN CCOc1ccc(-c2nnn(CC(=O)N[C@H](C)CC)n2)cc1OCC ZINC000000415092 462560595 /nfs/dbraw/zinc/56/05/95/462560595.db2.gz LQSRJIOSDGWIRW-GFCCVEGCSA-N 0 0 347.419 2.052 40 0 EEABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 ZINC000000428953 462562202 /nfs/dbraw/zinc/56/22/02/462562202.db2.gz PHHVBUOUNLRBMS-UHFFFAOYSA-N 0 0 346.408 2.057 40 0 EEABRN CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC[C@H](C)C1 ZINC000001337968 462578787 /nfs/dbraw/zinc/57/87/87/462578787.db2.gz HRONMLVWNQBISY-ZDUSSCGKSA-N 0 0 331.416 2.415 40 0 EEABRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCCCCC1 ZINC000045409196 462584442 /nfs/dbraw/zinc/58/44/42/462584442.db2.gz SIOXAPRSCVVSPP-UHFFFAOYSA-N 0 0 339.461 2.023 40 0 EEABRN Nc1nc(N)c2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1 ZINC000001694541 462585747 /nfs/dbraw/zinc/58/57/47/462585747.db2.gz OQWMHOAPOCKKHC-UHFFFAOYSA-N 0 0 346.350 2.329 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000045540211 462596102 /nfs/dbraw/zinc/59/61/02/462596102.db2.gz XLZCIOOYUGECJY-UHFFFAOYSA-N 0 0 341.459 2.178 40 0 EEABRN COc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1 ZINC000087256435 462599183 /nfs/dbraw/zinc/59/91/83/462599183.db2.gz PBHPQUKYAGHCBO-AEFFLSMTSA-N 0 0 349.394 2.340 40 0 EEABRN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccn1 ZINC000003066929 462610331 /nfs/dbraw/zinc/61/03/31/462610331.db2.gz OREGMTLEAJRIJJ-KRWDZBQOSA-N 0 0 337.379 2.467 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 ZINC000005555464 462662869 /nfs/dbraw/zinc/66/28/69/462662869.db2.gz JTZBTSSDAVQAQQ-UHFFFAOYSA-N 0 0 347.392 2.027 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](O)C1CCCCC1 ZINC000075155617 462687660 /nfs/dbraw/zinc/68/76/60/462687660.db2.gz RCFNVNCWVODICR-CQSZACIVSA-N 0 0 327.446 2.223 40 0 EEABRN COc1ccc(C[C@](C)(O)CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000075170259 462691211 /nfs/dbraw/zinc/69/12/11/462691211.db2.gz JJURSYZBGNBJML-SFHVURJKSA-N 0 0 330.384 2.284 40 0 EEABRN CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006597215 462692561 /nfs/dbraw/zinc/69/25/61/462692561.db2.gz BFIIDVCADJSNHW-LLVKDONJSA-N 0 0 332.853 2.313 40 0 EEABRN COCCNC(=O)c1sc(=S)n(-c2ccc(F)cc2)c1N ZINC000007499936 462738875 /nfs/dbraw/zinc/73/88/75/462738875.db2.gz RISYQYVTSMVAQP-UHFFFAOYSA-N 0 0 327.406 2.366 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000047180255 462751373 /nfs/dbraw/zinc/75/13/73/462751373.db2.gz KYRPFJYBFCHMGG-NSHDSACASA-N 0 0 327.319 2.207 40 0 EEABRN C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1OCC(F)(F)F ZINC000075765447 462757069 /nfs/dbraw/zinc/75/70/69/462757069.db2.gz LRXFOQBJGIXDLR-LLVKDONJSA-N 0 0 337.363 2.247 40 0 EEABRN CCc1c(C)nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)[nH]c1=O ZINC000008020168 462762777 /nfs/dbraw/zinc/76/27/77/462762777.db2.gz WPOIPVYKWQTDSK-UHFFFAOYSA-N 0 0 339.355 2.365 40 0 EEABRN COc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1F ZINC000090140250 462778800 /nfs/dbraw/zinc/77/88/00/462778800.db2.gz YAHIQGATDGXKCA-UHFFFAOYSA-N 0 0 346.358 2.462 40 0 EEABRN Cc1ccc(C)c(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)c1 ZINC000090626739 462803491 /nfs/dbraw/zinc/80/34/91/462803491.db2.gz BBZBDXPMOAVZNE-UHFFFAOYSA-N 0 0 340.427 2.245 40 0 EEABRN O=C(CCn1ccnc1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086978 462842180 /nfs/dbraw/zinc/84/21/80/462842180.db2.gz TUOZVMMBKVFCFH-INIZCTEOSA-N 0 0 341.411 2.462 40 0 EEABRN CCn1cc(C(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)cn1 ZINC000012141902 462845866 /nfs/dbraw/zinc/84/58/66/462845866.db2.gz FHYPWMHZYCSSSE-OAHLLOKOSA-N 0 0 326.404 2.102 40 0 EEABRN Cc1cccc(OCCNC(=O)[C@@H](C)S(=O)(=O)C2CCCC2)c1 ZINC000076585299 462880635 /nfs/dbraw/zinc/88/06/35/462880635.db2.gz XOMHXXSMXARSKJ-CQSZACIVSA-N 0 0 339.457 2.236 40 0 EEABRN Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 ZINC000013225960 462887785 /nfs/dbraw/zinc/88/77/85/462887785.db2.gz DTZSSOHFDJZSCZ-NWDGAFQWSA-N 0 0 348.428 2.387 40 0 EEABRN COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000013410665 462891648 /nfs/dbraw/zinc/89/16/48/462891648.db2.gz BBHHZABAQRSDBH-NRAVZPKASA-N 0 0 349.383 2.421 40 0 EEABRN CC(=O)NC(=S)Nc1ccc(I)cc1F ZINC000014257725 462923194 /nfs/dbraw/zinc/92/31/94/462923194.db2.gz ZFXKDVSJBRJBPC-UHFFFAOYSA-N 0 0 338.145 2.263 40 0 EEABRN COC(=O)Cn1cc(NC(=O)c2sccc2Br)cn1 ZINC000048810225 462940903 /nfs/dbraw/zinc/94/09/03/462940903.db2.gz VMWAVSFQOGKMSR-UHFFFAOYSA-N 0 0 344.190 2.132 40 0 EEABRN CN(C)c1nccc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000077188793 462949114 /nfs/dbraw/zinc/94/91/14/462949114.db2.gz VAHWEKVYVDRKRR-UHFFFAOYSA-N 0 0 343.406 2.034 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2)cc1 ZINC000016504068 462982521 /nfs/dbraw/zinc/98/25/21/462982521.db2.gz WZRDRYXCBURSEF-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN O=C(c1ccno1)N1CC[C@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 ZINC000019406213 463018183 /nfs/dbraw/zinc/01/81/83/463018183.db2.gz TZJWZTYCGDDCCL-JTQLQIEISA-N 0 0 342.380 2.116 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)cc1 ZINC000024269581 463081906 /nfs/dbraw/zinc/08/19/06/463081906.db2.gz NXNQAQIWECIKEO-UHFFFAOYSA-N 0 0 330.409 2.341 40 0 EEABRN Cc1nc(CCC(=O)N2CCCS2(=O)=O)oc1-c1ccccc1 ZINC000078611915 463133210 /nfs/dbraw/zinc/13/32/10/463133210.db2.gz FHMRATMQXIJPPO-UHFFFAOYSA-N 0 0 334.397 2.145 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042469 463147742 /nfs/dbraw/zinc/14/77/42/463147742.db2.gz DKWRBBGKVNNRBP-KURKYZTESA-N 0 0 339.395 2.065 40 0 EEABRN Cc1cccc(COC[C@H]2CN(C(=O)C3CC3)Cc3ncn(C)c32)n1 ZINC000096045045 463149247 /nfs/dbraw/zinc/14/92/47/463149247.db2.gz VXSURAFUGPOLFB-OAHLLOKOSA-N 0 0 340.427 2.176 40 0 EEABRN Cc1ccc(C(=O)N2CCn3cc(CN4CCCCC4)nc3C2)o1 ZINC000096059411 463159354 /nfs/dbraw/zinc/15/93/54/463159354.db2.gz RLQBSGMIFFUPFO-UHFFFAOYSA-N 0 0 328.416 2.426 40 0 EEABRN Cn1cc(CN2CCCn3cnc(COCc4ccco4)c3C2)cn1 ZINC000096059034 463159645 /nfs/dbraw/zinc/15/96/45/463159645.db2.gz UOBLRVBBLZREPD-UHFFFAOYSA-N 0 0 341.415 2.332 40 0 EEABRN Cc1occc1C(=O)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096057974 463160555 /nfs/dbraw/zinc/16/05/55/463160555.db2.gz URFRWMCXABSAOB-GVDBMIGSSA-N 0 0 328.368 2.434 40 0 EEABRN CCO[C@H]1CC2(CCN(C(=O)c3nc[nH]n3)CC2)c2ccccc21 ZINC000096079148 463169599 /nfs/dbraw/zinc/16/95/99/463169599.db2.gz RDYPPGJTYZPVAC-HNNXBMFYSA-N 0 0 326.400 2.460 40 0 EEABRN O=C(NC[C@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccs1)c1ccno1 ZINC000096082667 463170576 /nfs/dbraw/zinc/17/05/76/463170576.db2.gz ZGKXWZXDKAKFHJ-XNRPHZJLSA-N 0 0 347.440 2.146 40 0 EEABRN CCOc1ccccc1S(=O)(=O)NCc1nn(C)c2c1CCCC2 ZINC000096099171 463172999 /nfs/dbraw/zinc/17/29/99/463172999.db2.gz QHGQBECEZGZGOK-UHFFFAOYSA-N 0 0 349.456 2.176 40 0 EEABRN COc1ccccc1OCC(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096104583 463174390 /nfs/dbraw/zinc/17/43/90/463174390.db2.gz YDHIRACBTUVXDV-UHFFFAOYSA-N 0 0 331.372 2.261 40 0 EEABRN O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1ccsc1 ZINC000096108464 463176729 /nfs/dbraw/zinc/17/67/29/463176729.db2.gz KXLXLKCMRVQFAL-CJNGLKHVSA-N 0 0 349.481 2.083 40 0 EEABRN COc1ccc(C[C@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]2OC)cc1 ZINC000096110584 463178577 /nfs/dbraw/zinc/17/85/77/463178577.db2.gz BVRSWNCLIZBPRN-YOEHRIQHSA-N 0 0 339.457 2.067 40 0 EEABRN Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cc1ccccc1 ZINC000096120734 463181438 /nfs/dbraw/zinc/18/14/38/463181438.db2.gz BEWITWXHZVQKFB-UHFFFAOYSA-N 0 0 339.443 2.026 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCc1nccc(N2CCCCC2)n1 ZINC000096120848 463182502 /nfs/dbraw/zinc/18/25/02/463182502.db2.gz NMMYUHWSXPRJGG-UHFFFAOYSA-N 0 0 328.391 2.465 40 0 EEABRN Cc1ccccc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O ZINC000027623496 463198382 /nfs/dbraw/zinc/19/83/82/463198382.db2.gz UQNPMBYGIPJTNT-UHFFFAOYSA-N 0 0 338.473 2.458 40 0 EEABRN O=C(c1ccccc1)N1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096207969 463210552 /nfs/dbraw/zinc/21/05/52/463210552.db2.gz DTBYYIHIYDSHDG-VQIMIIECSA-N 0 0 338.411 2.352 40 0 EEABRN O=C(Cc1ccccn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096208924 463212397 /nfs/dbraw/zinc/21/23/97/463212397.db2.gz RQJNJQUWXOWPEG-HKUYNNGSSA-N 0 0 330.428 2.201 40 0 EEABRN CCN(CC)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000028208518 463219600 /nfs/dbraw/zinc/21/96/00/463219600.db2.gz VJSRHENGDSLNLK-UHFFFAOYSA-N 0 0 338.473 2.272 40 0 EEABRN O=C1N(Cc2cccnc2)CC[C@]12CCCN(c1ncc(F)cn1)C2 ZINC000096224328 463219940 /nfs/dbraw/zinc/21/99/40/463219940.db2.gz ZROVBQGOALXUOX-SFHVURJKSA-N 0 0 341.390 2.030 40 0 EEABRN C[C@@H](c1nc(-c2ccncc2)no1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000028224078 463219947 /nfs/dbraw/zinc/21/99/47/463219947.db2.gz DFWOHBVGYDXMMF-DRZSPHRISA-N 0 0 326.356 2.368 40 0 EEABRN Fc1cccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226496 463220572 /nfs/dbraw/zinc/22/05/72/463220572.db2.gz JEYOXGQIRBVRFM-GOSISDBHSA-N 0 0 328.391 2.492 40 0 EEABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)c4cnccn4)C3)CC2=O)cc1 ZINC000096238489 463223119 /nfs/dbraw/zinc/22/31/19/463223119.db2.gz LCLGHZCSHNRZDR-IBGZPJMESA-N 0 0 336.395 2.054 40 0 EEABRN CCC(=O)N1CC[C@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244533 463225533 /nfs/dbraw/zinc/22/55/33/463225533.db2.gz REQUOGXLHXNAGR-SFHVURJKSA-N 0 0 330.432 2.017 40 0 EEABRN c1cnc(N2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)nc1 ZINC000096244259 463225825 /nfs/dbraw/zinc/22/58/25/463225825.db2.gz YUINDLYAZJTZKQ-IBGZPJMESA-N 0 0 346.394 2.007 40 0 EEABRN O=C(c1cccs1)N1CCCn2cnc(CN3CCCC3=O)c2C1 ZINC000096259341 463230338 /nfs/dbraw/zinc/23/03/38/463230338.db2.gz UBNYJMZIBVUTLJ-UHFFFAOYSA-N 0 0 344.440 2.113 40 0 EEABRN O=C(Nc1cccc(N2CCOCC2)c1)N[C@H](CO)c1ccccc1 ZINC000096404172 463238487 /nfs/dbraw/zinc/23/84/87/463238487.db2.gz VIXNQRNOMFHOJQ-GOSISDBHSA-N 0 0 341.411 2.378 40 0 EEABRN C[C@]1(C(=O)OCCn2cccn2)CCCN1C(=O)c1ccccc1 ZINC000096408987 463242620 /nfs/dbraw/zinc/24/26/20/463242620.db2.gz CVIXWJGFGYKWFW-GOSISDBHSA-N 0 0 327.384 2.121 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000096415593 463248343 /nfs/dbraw/zinc/24/83/43/463248343.db2.gz CSWFUIVDQROITG-ZDUSSCGKSA-N 0 0 345.472 2.309 40 0 EEABRN Cc1c2ccccc2sc1C(=O)N1CCN([C@@H]2CCOC2=O)CC1 ZINC000096421187 463253201 /nfs/dbraw/zinc/25/32/01/463253201.db2.gz PRSASZBBZIVYQD-CQSZACIVSA-N 0 0 344.436 2.283 40 0 EEABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 ZINC000096425844 463255197 /nfs/dbraw/zinc/25/51/97/463255197.db2.gz YGQGGNPNILFEDO-NSHDSACASA-N 0 0 336.388 2.424 40 0 EEABRN CN(C)S(=O)(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000096426092 463255561 /nfs/dbraw/zinc/25/55/61/463255561.db2.gz KNCJFYAZLYTLCU-UHFFFAOYSA-N 0 0 334.323 2.109 40 0 EEABRN CCN(C(=O)c1cc(Br)ccc1C)[C@@H]1CC(=O)NC1=O ZINC000096426332 463255846 /nfs/dbraw/zinc/25/58/46/463255846.db2.gz GHFAOLFZJQTYBP-LLVKDONJSA-N 0 0 339.189 2.475 40 0 EEABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(N)(=O)=O ZINC000029508034 463259389 /nfs/dbraw/zinc/25/93/89/463259389.db2.gz YGBDABGFZJLRBF-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN CC(C)C[C@H]1COCCN1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000096434627 463262094 /nfs/dbraw/zinc/26/20/94/463262094.db2.gz CBTHROZRJKIWGF-ZDUSSCGKSA-N 0 0 333.388 2.410 40 0 EEABRN Cc1c(Br)cccc1C(=O)NC[C@H](O)C1CCOCC1 ZINC000096436973 463265245 /nfs/dbraw/zinc/26/52/45/463265245.db2.gz GDDYXRHSMSJFQZ-AWEZNQCLSA-N 0 0 342.233 2.275 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)c2cc3c([nH]c2=O)CCCC3)c(C)o1 ZINC000096437493 463265599 /nfs/dbraw/zinc/26/55/99/463265599.db2.gz VIBWZCDMYPGMGS-IBGZPJMESA-N 0 0 344.411 2.101 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)NCCCCc2cnn(C)c2)C12CCC2 ZINC000096444014 463269595 /nfs/dbraw/zinc/26/95/95/463269595.db2.gz FRCWDLWZGZMWQZ-HOTGVXAUSA-N 0 0 334.464 2.390 40 0 EEABRN CN(C)c1ccc(Cl)cc1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000096452240 463273277 /nfs/dbraw/zinc/27/32/77/463273277.db2.gz IMLVPLKPUYXDHG-LLVKDONJSA-N 0 0 336.823 2.291 40 0 EEABRN C[C@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000096454835 463274380 /nfs/dbraw/zinc/27/43/80/463274380.db2.gz SRKJPEQYPDMJNV-JOYOIKCWSA-N 0 0 335.618 2.351 40 0 EEABRN O=C(Cn1ccnn1)Nc1ccnn1Cc1cccc2ccccc21 ZINC000096455261 463275626 /nfs/dbraw/zinc/27/56/26/463275626.db2.gz DAFROCKJHDSLEX-UHFFFAOYSA-N 0 0 332.367 2.315 40 0 EEABRN Cn1nccc1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000096459795 463276934 /nfs/dbraw/zinc/27/69/34/463276934.db2.gz FTGFTTHEUXSOFZ-UHFFFAOYSA-N 0 0 337.383 2.189 40 0 EEABRN O=C(NCCCn1cccn1)NCc1nnc(-c2ccccc2)s1 ZINC000096471334 463278908 /nfs/dbraw/zinc/27/89/08/463278908.db2.gz FXQWFGKXDWEVDU-UHFFFAOYSA-N 0 0 342.428 2.291 40 0 EEABRN Cc1nc(CNC(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)no1 ZINC000096484970 463283705 /nfs/dbraw/zinc/28/37/05/463283705.db2.gz QLWMLZUNHRJBOZ-GFCCVEGCSA-N 0 0 340.387 2.183 40 0 EEABRN C[C@@H](NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCOC1 ZINC000096486335 463283746 /nfs/dbraw/zinc/28/37/46/463283746.db2.gz QZVYCVUHOBYGBC-OLZOCXBDSA-N 0 0 332.379 2.236 40 0 EEABRN CCN1CCN(C(=O)Cc2ccc(NCc3ccn(C)c3)cc2)CC1 ZINC000096486273 463283913 /nfs/dbraw/zinc/28/39/13/463283913.db2.gz LQPYLONGAMWPJS-UHFFFAOYSA-N 0 0 340.471 2.344 40 0 EEABRN COC(=O)CN1CCCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000096489963 463286659 /nfs/dbraw/zinc/28/66/59/463286659.db2.gz QNLULNQCJHMSAK-UHFFFAOYSA-N 0 0 325.478 2.121 40 0 EEABRN CC1CCN(C(=O)CN[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000096490968 463286676 /nfs/dbraw/zinc/28/66/76/463286676.db2.gz CJHLHJCXPBRJBC-GOSISDBHSA-N 0 0 343.471 2.198 40 0 EEABRN C[C@H](CNC(=O)N[C@H]1CCCc2sccc21)CN1CCOCC1 ZINC000096503283 463293265 /nfs/dbraw/zinc/29/32/65/463293265.db2.gz OZECIHBHDGQVQW-HIFRSBDPSA-N 0 0 337.489 2.393 40 0 EEABRN CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031550512 463344563 /nfs/dbraw/zinc/34/45/63/463344563.db2.gz ZIUDRAUKQJYNPR-OAHLLOKOSA-N 0 0 338.473 2.394 40 0 EEABRN C[C@@H]1CN(Cc2c(Cl)cccc2N2CCCC2)C[C@H](C(N)=O)O1 ZINC000097230934 463350831 /nfs/dbraw/zinc/35/08/31/463350831.db2.gz ACIRGZFKKDDIIZ-MLGOLLRUSA-N 0 0 337.851 2.015 40 0 EEABRN O=C(NC1Cc2ccccc2C1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000097377434 463357198 /nfs/dbraw/zinc/35/71/98/463357198.db2.gz CNPHSPSMNDANLI-KRWDZBQOSA-N 0 0 341.455 2.244 40 0 EEABRN CN1C(SCc2cccc(Cl)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508726 463380323 /nfs/dbraw/zinc/38/03/23/463380323.db2.gz MPSQXTNDESPRKD-RYUDHWBXSA-N 0 0 330.862 2.040 40 0 EEABRN O=C(CCOc1ccccc1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000081293985 463414892 /nfs/dbraw/zinc/41/48/92/463414892.db2.gz KFXDTKZDOVZVNZ-INIZCTEOSA-N 0 0 330.409 2.217 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1OC ZINC000041909818 463520161 /nfs/dbraw/zinc/52/01/61/463520161.db2.gz UTEGELLSBVAFAL-UHFFFAOYSA-N 0 0 346.427 2.178 40 0 EEABRN O=C(NCc1nccn1CCc1ccccc1)[C@H](O)c1ccccc1 ZINC000083006300 463528196 /nfs/dbraw/zinc/52/81/96/463528196.db2.gz MHXUZOJTMLIPRD-LJQANCHMSA-N 0 0 335.407 2.476 40 0 EEABRN CC(C)(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1 ZINC000042032878 463533576 /nfs/dbraw/zinc/53/35/76/463533576.db2.gz AGSQXIRHVQWZLC-GFCCVEGCSA-N 0 0 346.431 2.400 40 0 EEABRN CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)Cc2ccccc2)O1 ZINC000107204842 463561205 /nfs/dbraw/zinc/56/12/05/463561205.db2.gz AFRKIOUMAQYJRO-ULQDDVLXSA-N 0 0 339.457 2.175 40 0 EEABRN Cc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000042665480 463585072 /nfs/dbraw/zinc/58/50/72/463585072.db2.gz SHSPQWGGDMQXEX-UHFFFAOYSA-N 0 0 325.411 2.199 40 0 EEABRN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000084777932 463631858 /nfs/dbraw/zinc/63/18/58/463631858.db2.gz IPHDIXNCGSDFFN-YPMHNXCESA-N 0 0 343.374 2.286 40 0 EEABRN O=C(/C=C/c1ccc(-c2ccccc2F)o1)N[C@H]1CCS(=O)(=O)C1 ZINC000044873811 463697485 /nfs/dbraw/zinc/69/74/85/463697485.db2.gz DRCGGDDECNMDDA-WMADIVHISA-N 0 0 349.383 2.402 40 0 EEABRN CO[C@H]1CCCOC12CCN(C(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000257272529 463757687 /nfs/dbraw/zinc/75/76/87/463757687.db2.gz NCTBOOHLSADWME-HNNXBMFYSA-N 0 0 333.432 2.089 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)Cc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000257230911 463757701 /nfs/dbraw/zinc/75/77/01/463757701.db2.gz GEMIDJHWMJYCFO-OAHLLOKOSA-N 0 0 347.802 2.287 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000257291706 463765101 /nfs/dbraw/zinc/76/51/01/463765101.db2.gz QIHGTTCVSMTFLO-CYBMUJFWSA-N 0 0 344.390 2.058 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)s1 ZINC000257293871 463766232 /nfs/dbraw/zinc/76/62/32/463766232.db2.gz QRNZLYOGLICGQQ-CQSZACIVSA-N 0 0 332.429 2.001 40 0 EEABRN CCCOC1CCN(C(=O)c2cccc(-c3cnc(N)nc3)n2)CC1 ZINC000257297346 463766894 /nfs/dbraw/zinc/76/68/94/463766894.db2.gz RGWFDQKUXBDTLF-UHFFFAOYSA-N 0 0 341.415 2.152 40 0 EEABRN O=C([O-])c1cccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 ZINC000257296912 463767196 /nfs/dbraw/zinc/76/71/96/463767196.db2.gz REZOYNBQNOTDDX-IAGOWNOFSA-N 0 0 331.343 2.148 40 0 EEABRN CN(C)Cc1cn(-c2ccccc2C(=O)NCc2cccnc2)cn1 ZINC000257297367 463767843 /nfs/dbraw/zinc/76/78/43/463767843.db2.gz RGYJOHIWRHVKSH-UHFFFAOYSA-N 0 0 335.411 2.259 40 0 EEABRN CO[C@H]1CCCOC12CCN(C(=O)c1cnc(C(C)C)nc1)CC2 ZINC000257308942 463771633 /nfs/dbraw/zinc/77/16/33/463771633.db2.gz TYVVUUYUEWRQOC-HNNXBMFYSA-N 0 0 333.432 2.400 40 0 EEABRN Cc1nc(N)cc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257307283 463772107 /nfs/dbraw/zinc/77/21/07/463772107.db2.gz SYAOELYDHLWBCJ-INIZCTEOSA-N 0 0 326.400 2.500 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)ccn1 ZINC000257320173 463776602 /nfs/dbraw/zinc/77/66/02/463776602.db2.gz VVQJTPNJMKSRAX-MRXNPFEDSA-N 0 0 344.459 2.232 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)ccn1 ZINC000257326965 463779614 /nfs/dbraw/zinc/77/96/14/463779614.db2.gz WZHDTXIILSZLJS-KRWDZBQOSA-N 0 0 349.394 2.184 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CO[C@H](Cc3cnccn3)C2)CC1 ZINC000257329523 463781205 /nfs/dbraw/zinc/78/12/05/463781205.db2.gz XKHXSEFABVEKOO-MRXNPFEDSA-N 0 0 338.411 2.126 40 0 EEABRN O=C(c1cnn2c1CCCC2)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000179085122 464052588 /nfs/dbraw/zinc/05/25/88/464052588.db2.gz GOMWFGUKLPETIN-MRXNPFEDSA-N 0 0 340.427 2.436 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CCc2cc(Br)ccc2C1 ZINC000195469677 464057087 /nfs/dbraw/zinc/05/70/87/464057087.db2.gz AEWLJCJUJGRUCC-SNVBAGLBSA-N 0 0 348.262 2.172 40 0 EEABRN C[C@@H]1CN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@@H](C)CO1 ZINC000186774813 464064080 /nfs/dbraw/zinc/06/40/80/464064080.db2.gz BZKXFBZRYCJNLY-NWDGAFQWSA-N 0 0 337.386 2.080 40 0 EEABRN Cc1ccnc(N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)c1 ZINC000195539185 464073515 /nfs/dbraw/zinc/07/35/15/464073515.db2.gz NFDOXYIVXRHSIF-HNNXBMFYSA-N 0 0 331.441 2.337 40 0 EEABRN C[C@@]1(NC(=O)CC2(CS(C)(=O)=O)CC2)CCc2ccccc2C1 ZINC000195533027 464073739 /nfs/dbraw/zinc/07/37/39/464073739.db2.gz LDEUSYGROBWAJD-QGZVFWFLSA-N 0 0 335.469 2.265 40 0 EEABRN Cc1c(Cl)cccc1N(CCCC(=O)N(C)C)S(C)(=O)=O ZINC000222907266 464134656 /nfs/dbraw/zinc/13/46/56/464134656.db2.gz ZGAZMJHVVYEMSI-UHFFFAOYSA-N 0 0 332.853 2.283 40 0 EEABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1 ZINC000222872432 464134826 /nfs/dbraw/zinc/13/48/26/464134826.db2.gz FHDRYVKLVBOGAT-MRXNPFEDSA-N 0 0 340.423 2.271 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000223288021 464141231 /nfs/dbraw/zinc/14/12/31/464141231.db2.gz AAUKYHRBZCGZBE-JXMROGBWSA-N 0 0 334.372 2.386 40 0 EEABRN CCOc1ccc(C(N)=O)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224808681 464152658 /nfs/dbraw/zinc/15/26/58/464152658.db2.gz MKQGOYILXNGDEO-UHFFFAOYSA-N 0 0 348.424 2.005 40 0 EEABRN CCOc1ccccc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225422658 464158964 /nfs/dbraw/zinc/15/89/64/464158964.db2.gz BJALKGWIKOXMBU-CQSZACIVSA-N 0 0 327.384 2.477 40 0 EEABRN Cc1c(S(=O)(=O)N(C)c2ccc(C)nn2)c2ccccc2n1C ZINC000225436203 464159688 /nfs/dbraw/zinc/15/96/88/464159688.db2.gz NXQMLYXLWWOQOT-UHFFFAOYSA-N 0 0 330.413 2.410 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225468662 464162570 /nfs/dbraw/zinc/16/25/70/464162570.db2.gz TXDHELAMQQQOQV-AWEZNQCLSA-N 0 0 330.388 2.084 40 0 EEABRN NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000225556877 464171281 /nfs/dbraw/zinc/17/12/81/464171281.db2.gz QREUKJBQWMMDIY-HNNXBMFYSA-N 0 0 348.353 2.083 40 0 EEABRN O=C(Cn1ccnn1)N1CCC(c2cccc(Br)c2)CC1 ZINC000225601437 464175564 /nfs/dbraw/zinc/17/55/64/464175564.db2.gz CYLWBIZYOGMADZ-UHFFFAOYSA-N 0 0 349.232 2.447 40 0 EEABRN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2C)ncn1 ZINC000173430755 464259478 /nfs/dbraw/zinc/25/94/78/464259478.db2.gz RIBRISHHHANHSG-AWEZNQCLSA-N 0 0 343.406 2.365 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000173507040 464273239 /nfs/dbraw/zinc/27/32/39/464273239.db2.gz AVYMRWDJSZUYFF-WFASDCNBSA-N 0 0 344.463 2.280 40 0 EEABRN CN(C)C(=O)NCCNC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000188677486 464338809 /nfs/dbraw/zinc/33/88/09/464338809.db2.gz RIKYHERQBZSMFS-UHFFFAOYSA-N 0 0 329.803 2.144 40 0 EEABRN Cn1ccnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)c1=O ZINC000240412915 464446813 /nfs/dbraw/zinc/44/68/13/464446813.db2.gz FOSDVJGLOHFYAI-LLVKDONJSA-N 0 0 334.445 2.112 40 0 EEABRN Cn1nccc1C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000241132756 464450290 /nfs/dbraw/zinc/45/02/90/464450290.db2.gz JLMDDVLOASRRKL-UHFFFAOYSA-N 0 0 328.391 2.227 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000244272253 464460723 /nfs/dbraw/zinc/46/07/23/464460723.db2.gz WPBNMJRQWWWQAO-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN Cc1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000244472836 464461026 /nfs/dbraw/zinc/46/10/26/464461026.db2.gz ZHMLDXPWWYGGQD-KRWDZBQOSA-N 0 0 330.428 2.142 40 0 EEABRN COc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)cc1OCCO ZINC000281710688 464557284 /nfs/dbraw/zinc/55/72/84/464557284.db2.gz WONNGPZNYNZZLV-VXGBXAGGSA-N 0 0 325.430 2.032 40 0 EEABRN O=C(c1ccco1)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000247943200 464716510 /nfs/dbraw/zinc/71/65/10/464716510.db2.gz QIECAJJJZLHBEV-OAHLLOKOSA-N 0 0 335.400 2.096 40 0 EEABRN Cc1nnc(S(=O)(=O)CCCOC(C)C)n1-c1ccccc1C ZINC000191026191 464763574 /nfs/dbraw/zinc/76/35/74/464763574.db2.gz GEYIBANKWHXQSN-UHFFFAOYSA-N 0 0 337.445 2.473 40 0 EEABRN C[C@H](c1nnnn1C)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248936821 464823021 /nfs/dbraw/zinc/82/30/21/464823021.db2.gz CAWBNCNDPJCWCB-ZWNOBZJWSA-N 0 0 341.337 2.363 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@H]1C ZINC000248990376 464827870 /nfs/dbraw/zinc/82/78/70/464827870.db2.gz YEEUJHCDBDQDRX-JGBPGKFQSA-N 0 0 342.439 2.413 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261802 464855210 /nfs/dbraw/zinc/85/52/10/464855210.db2.gz HYVKEZKPYXPJFO-NWDGAFQWSA-N 0 0 332.477 2.486 40 0 EEABRN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000184004922 464936812 /nfs/dbraw/zinc/93/68/12/464936812.db2.gz XREFKZZEZHNSPC-QMTHXVAHSA-N 0 0 344.333 2.130 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2nnc(C)o2)[C@H](C)C1 ZINC000252485407 464963947 /nfs/dbraw/zinc/96/39/47/464963947.db2.gz GUDQRBFUJZUNFE-CQSZACIVSA-N 0 0 330.432 2.483 40 0 EEABRN CCOc1ccccc1CCNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000252493128 464968449 /nfs/dbraw/zinc/96/84/49/464968449.db2.gz MZVBCEBYBUFABU-INIZCTEOSA-N 0 0 345.443 2.128 40 0 EEABRN O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000252498910 464971023 /nfs/dbraw/zinc/97/10/23/464971023.db2.gz RQBIOQPEAYACIH-HOTGVXAUSA-N 0 0 341.415 2.120 40 0 EEABRN O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCC([C@H]2CCCO2)CC1 ZINC000252498320 464971491 /nfs/dbraw/zinc/97/14/91/464971491.db2.gz QYKFUCXKJNQZKX-UONOGXRCSA-N 0 0 349.397 2.224 40 0 EEABRN C[C@H](C(=O)N[C@@H]1c2ccccc2CC[C@H]1CO)N(C)CC(F)(F)F ZINC000252550610 464982388 /nfs/dbraw/zinc/98/23/88/464982388.db2.gz SVFWLCDOJOZWEK-ZLDLUXBVSA-N 0 0 344.377 2.281 40 0 EEABRN CCc1nsc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000252581601 464983646 /nfs/dbraw/zinc/98/36/46/464983646.db2.gz CELNVGXUZIFKKU-GJZGRUSLSA-N 0 0 330.457 2.190 40 0 EEABRN C[C@@H]1CO[C@@H](CO)CN1C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000253370574 464995332 /nfs/dbraw/zinc/99/53/32/464995332.db2.gz SOHDHMUXNPKRSI-RAIGVLPGSA-N 0 0 332.322 2.081 40 0 EEABRN CCOCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000253386308 464998056 /nfs/dbraw/zinc/99/80/56/464998056.db2.gz WGVVLYJYEWUBEL-OAHLLOKOSA-N 0 0 343.383 2.236 40 0 EEABRN CCOc1ccccc1CCC(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 ZINC000253394086 464999081 /nfs/dbraw/zinc/99/90/81/464999081.db2.gz ACJVNDQVPLOSRA-KBAYOESNSA-N 0 0 333.428 2.471 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418296 465006207 /nfs/dbraw/zinc/00/62/07/465006207.db2.gz GEIQWNFGFPQSCJ-GHMZBOCLSA-N 0 0 344.337 2.037 40 0 EEABRN O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)CCc2ccccc21 ZINC000253426603 465011457 /nfs/dbraw/zinc/01/14/57/465011457.db2.gz ULAJASGDKYEWSU-OAHLLOKOSA-N 0 0 326.318 2.129 40 0 EEABRN Cc1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)n2ncnc2n1 ZINC000253431044 465013335 /nfs/dbraw/zinc/01/33/35/465013335.db2.gz NROPSKXEKJJNBK-LLVKDONJSA-N 0 0 329.795 2.172 40 0 EEABRN Cc1cc([C@@H]2CCCN2C(=O)CC(N)=O)ccc1Br ZINC000253433640 465015384 /nfs/dbraw/zinc/01/53/84/465015384.db2.gz ZPAHBAOFQJQSSI-LBPRGKRZSA-N 0 0 325.206 2.296 40 0 EEABRN CCS(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@H]2C1 ZINC000253494165 465017512 /nfs/dbraw/zinc/01/75/12/465017512.db2.gz WPZKDGBMMCTGQG-RCBQFDQVSA-N 0 0 327.421 2.095 40 0 EEABRN O=C(N[C@@H](CO)c1ccsc1)C1CCN(CC(F)(F)F)CC1 ZINC000330762225 465795072 /nfs/dbraw/zinc/79/50/72/465795072.db2.gz OIXWGXOYAGGOSY-LBPRGKRZSA-N 0 0 336.379 2.172 40 0 EEABRN O=C(C1CC1)N1C[C@@H]2c3cc(-c4ccco4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306135012 466492126 /nfs/dbraw/zinc/49/21/26/466492126.db2.gz OEQXSJAZXOZQLH-RHSMWYFYSA-N 0 0 343.404 2.438 40 0 EEABRN Cn1ccnc1CN1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000306144783 466496407 /nfs/dbraw/zinc/49/64/07/466496407.db2.gz ZOJXRTOIKGXVAJ-ROUUACIJSA-N 0 0 326.444 2.427 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000408586738 466681461 /nfs/dbraw/zinc/68/14/61/466681461.db2.gz QJHUBJLEVRXYQZ-UHFFFAOYSA-N 0 0 342.417 2.438 40 0 EEABRN CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1CCCCCCC1 ZINC000408999343 466684127 /nfs/dbraw/zinc/68/41/27/466684127.db2.gz RJKQRAGDOPNJLV-CVEARBPZSA-N 0 0 340.464 2.443 40 0 EEABRN Cn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)n1 ZINC000390830640 467413515 /nfs/dbraw/zinc/41/35/15/467413515.db2.gz MIULVOMEKHREIL-GFCCVEGCSA-N 0 0 325.372 2.423 40 0 EEABRN COc1ccc(Br)c(-c2nnn(CC3(O)CCC3)n2)c1 ZINC000390834333 467414356 /nfs/dbraw/zinc/41/43/56/467414356.db2.gz WLRADMIPJPYXQU-UHFFFAOYSA-N 0 0 339.193 2.026 40 0 EEABRN Cc1nc(C(C)C)oc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000431661232 467532175 /nfs/dbraw/zinc/53/21/75/467532175.db2.gz ZOKRJMHSILDTMK-AWEZNQCLSA-N 0 0 327.384 2.159 40 0 EEABRN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000514289004 467941713 /nfs/dbraw/zinc/94/17/13/467941713.db2.gz FAUADCOBMLYEFB-WBVHZDCISA-N 0 0 340.354 2.183 40 0 biogenic,in-vitro EEABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)C4(F)CC4)C3)C2)n1 ZINC000575403048 468140527 /nfs/dbraw/zinc/14/05/27/468140527.db2.gz HZJOJNDVYLZKHI-AWEZNQCLSA-N 0 0 336.432 2.495 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575405671 468141635 /nfs/dbraw/zinc/14/16/35/468141635.db2.gz ZHFYQCUEKLAZIR-YUELXQCFSA-N 0 0 325.474 2.172 40 0 EEABRN C[C@H](Oc1ccccc1F)C(=O)NCc1nc(C2CCOCC2)no1 ZINC000575606902 468146793 /nfs/dbraw/zinc/14/67/93/468146793.db2.gz MWQIVJUPMBPRNO-NSHDSACASA-N 0 0 349.362 2.186 40 0 EEABRN Cc1c(NC(=O)N[C@H](Cc2ccccc2)c2ncco2)nnn1C ZINC000585090777 468962208 /nfs/dbraw/zinc/96/22/08/468962208.db2.gz HIYRJCDCOCDHCC-CYBMUJFWSA-N 0 0 326.360 2.217 40 0 EEABRN CCN1CC[C@@]2(CN(Cc3cccnc3OC)CC(F)(F)C2)C1=O ZINC000585093468 468963536 /nfs/dbraw/zinc/96/35/36/468963536.db2.gz YHQHRVZBKMSZER-MRXNPFEDSA-N 0 0 339.386 2.170 40 0 EEABRN Cc1cccc(C(=O)N2CCn3cc(C(=O)N(C)C)nc3[C@H]2C)c1 ZINC000585096288 468964149 /nfs/dbraw/zinc/96/41/49/468964149.db2.gz FVEUAJQTCKNRMA-CYBMUJFWSA-N 0 0 326.400 2.110 40 0 EEABRN Cc1c2ccccc2oc1C(=O)N1Cc2ncn(C)c2C[C@H]1CO ZINC000585094998 468964263 /nfs/dbraw/zinc/96/42/63/468964263.db2.gz YQEBBSBSSKHXEW-LBPRGKRZSA-N 0 0 325.368 2.034 40 0 EEABRN COC[C@H]1CCn2nccc2CN1C(=O)c1ccc2ncccc2c1 ZINC000585098328 468967099 /nfs/dbraw/zinc/96/70/99/468967099.db2.gz WLCCSSBTEWCRPE-QGZVFWFLSA-N 0 0 336.395 2.492 40 0 EEABRN O=C(Cc1ccccc1)N1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC000585099729 468968590 /nfs/dbraw/zinc/96/85/90/468968590.db2.gz DVEKQUTWJOYCSD-UHFFFAOYSA-N 0 0 326.440 2.480 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585104078 468971638 /nfs/dbraw/zinc/97/16/38/468971638.db2.gz FWWLCTJOBHNJOK-HNNXBMFYSA-N 0 0 327.409 2.256 40 0 EEABRN CC1(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111106 468974413 /nfs/dbraw/zinc/97/44/13/468974413.db2.gz DUTPTLVHPQSGOH-MRXNPFEDSA-N 0 0 325.412 2.462 40 0 EEABRN O=C(NC[C@H]1CN(Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585111494 468974821 /nfs/dbraw/zinc/97/48/21/468974821.db2.gz BUCHXPAMJAYXCP-INIZCTEOSA-N 0 0 345.472 2.307 40 0 EEABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccccn1 ZINC000585111262 468975216 /nfs/dbraw/zinc/97/52/16/468975216.db2.gz LTRXJRVSBNHYPY-GOSISDBHSA-N 0 0 348.406 2.370 40 0 EEABRN CCO/C=C/[C@@](O)(CNC(=O)Nc1ccc(F)cn1)C(F)(F)F ZINC000585140807 468990585 /nfs/dbraw/zinc/99/05/85/468990585.db2.gz LCUPPXHGPPFXMC-BTDICHCPSA-N 0 0 337.273 2.186 40 0 EEABRN O=C(c1ncoc1-c1ccon1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000585141538 468992200 /nfs/dbraw/zinc/99/22/00/468992200.db2.gz CJJAMRYWUMTKDX-LLVKDONJSA-N 0 0 326.312 2.018 40 0 EEABRN CCn1cncc1CN1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585275459 468999601 /nfs/dbraw/zinc/99/96/01/468999601.db2.gz FBOKOAWNTLHPHN-IBGZPJMESA-N 0 0 345.443 2.199 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1Cc1ccccc1F ZINC000585277838 469003817 /nfs/dbraw/zinc/00/38/17/469003817.db2.gz PZKMCACZIHLZIZ-IRXDYDNUSA-N 0 0 331.391 2.422 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585279165 469004391 /nfs/dbraw/zinc/00/43/91/469004391.db2.gz WNSJZYDSVSBJOU-PBHICJAKSA-N 0 0 332.375 2.198 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@@](CO)(Cc3cccc(C)c3)C2)[nH]1 ZINC000585278926 469005092 /nfs/dbraw/zinc/00/50/92/469005092.db2.gz WWSIIAPZSYLACW-FQEVSTJZSA-N 0 0 343.471 2.395 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000608223710 469788323 /nfs/dbraw/zinc/78/83/23/469788323.db2.gz HWXCFDYHMSAJJE-OWCLPIDISA-N 0 0 339.395 2.178 40 0 EEABRN COCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223915907 485533542 /nfs/dbraw/zinc/53/35/42/485533542.db2.gz PPEGHZSSQRRCFH-UHFFFAOYSA-N 0 0 348.424 2.254 40 0 EEABRN C[C@H]1CN(C)c2ccccc2N(C(=O)CNC(=O)c2ccco2)C1 ZINC000680871122 486072755 /nfs/dbraw/zinc/07/27/55/486072755.db2.gz KJKPYZVGWGYXLR-ZDUSSCGKSA-N 0 0 327.384 2.129 40 0 EEABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC1CC1 ZINC000408704872 534344333 /nfs/dbraw/zinc/34/43/33/534344333.db2.gz UUUBRVLCNPFION-UHFFFAOYSA-N 0 0 330.409 2.407 40 0 EEABRN O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C1=CCCCC1 ZINC000131962449 534355506 /nfs/dbraw/zinc/35/55/06/534355506.db2.gz UFSUXRSZGIMSTA-UHFFFAOYSA-N 0 0 348.877 2.296 40 0 EEABRN O=C(NC1CCN(C(=O)C(F)(F)C(F)F)CC1)c1ccsc1 ZINC000176170806 534796165 /nfs/dbraw/zinc/79/61/65/534796165.db2.gz YPRCALFHBNJWAK-UHFFFAOYSA-N 0 0 338.326 2.369 40 0 EEABRN Cc1cc(CC(=O)NCCOc2ncc(Cl)cc2Cl)no1 ZINC000096475342 524620700 /nfs/dbraw/zinc/62/07/00/524620700.db2.gz SFAWGCVBTIZGPA-UHFFFAOYSA-N 0 0 330.171 2.423 40 0 EEABRN CC(=O)NCC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000190851615 526714879 /nfs/dbraw/zinc/71/48/79/526714879.db2.gz YLRYJLKKKZCXNF-UHFFFAOYSA-N 0 0 339.233 2.324 40 0 EEABRN O=C(CS(=O)(=O)c1cccs1)NCc1cc(F)cc(F)c1 ZINC000096475671 527007952 /nfs/dbraw/zinc/00/79/52/527007952.db2.gz UIDWIPMLDTXCNV-UHFFFAOYSA-N 0 0 331.365 2.116 40 0 EEABRN CCCN1CCCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1=O ZINC000190225511 528210967 /nfs/dbraw/zinc/21/09/67/528210967.db2.gz FXACTBWPYPHGIG-LBPRGKRZSA-N 0 0 336.436 2.049 40 0 EEABRN CCC(=O)[C@H]1CCCCN1C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000185823317 528449334 /nfs/dbraw/zinc/44/93/34/528449334.db2.gz AOCHBVNUPZLMSQ-CQSZACIVSA-N 0 0 338.354 2.055 40 0 EEABRN CCC(=O)N1CCC[C@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 ZINC000257220448 535305732 /nfs/dbraw/zinc/30/57/32/535305732.db2.gz DKWIQOLITLPDBZ-CQSZACIVSA-N 0 0 327.432 2.377 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245289692 535374031 /nfs/dbraw/zinc/37/40/31/535374031.db2.gz DMKRVUNRQAKGHL-COXVUDFISA-N 0 0 335.469 2.464 40 0 EEABRN CCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1C ZINC000257221441 535433160 /nfs/dbraw/zinc/43/31/60/535433160.db2.gz DPAMSOYHQFKABZ-WBVHZDCISA-N 0 0 332.444 2.039 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@]2(CCCO2)[C@H](OC)C1 ZINC000257236472 535950446 /nfs/dbraw/zinc/95/04/46/535950446.db2.gz HCJCUZUPFRCYAF-IEBWSBKVSA-N 0 0 332.444 2.457 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(C)n3)C2)cc1 ZINC000257206818 536868790 /nfs/dbraw/zinc/86/87/90/536868790.db2.gz BEZRRHRHRJWUMW-AWEZNQCLSA-N 0 0 347.440 2.362 40 0 EEABRN CC(C)/C=C1\NC(=O)[C@H](C(C)C)n2c(=O)c3cccc(O)c3nc21 ZINC000202165686 564056572 /nfs/dbraw/zinc/05/65/72/564056572.db2.gz UVGDCLGJXMBOBD-PINLSGDHSA-N 0 0 327.384 2.426 40 0 biogenic,in-vitro EEABRN COc1cccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c1 ZINC000899466361 693754644 /nfs/dbraw/zinc/75/46/44/693754644.db2.gz XBSAPBYBDUTMJG-UHFFFAOYSA-N 0 0 334.319 2.421 40 0 EEABRN O=C(c1cc(=O)[nH]cc1Br)N(C[C@H]1CCOC1)C1CC1 ZINC000930682683 1206575674 /nfs/dbraw/zinc/57/56/74/1206575674.db2.gz VJKFXXIQJVQUOE-SECBINFHSA-N 0 0 341.205 2.191 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cc(C(F)F)ncn1 ZINC000932854851 1207690418 /nfs/dbraw/zinc/69/04/18/1207690418.db2.gz LKNVUHLINZSVPT-GFCCVEGCSA-N 0 0 346.337 2.340 40 0 EEABRN Cc1nn(CC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c2ncccc12 ZINC000934127105 1207908718 /nfs/dbraw/zinc/90/87/18/1207908718.db2.gz WSMWWOYCPPSJFY-MRXNPFEDSA-N 0 0 340.431 2.377 40 0 EEABRN COCCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 ZINC000008105408 1352026978 /nfs/dbraw/zinc/02/69/78/1352026978.db2.gz FRNSIAOEBCQIDD-IBGZPJMESA-N 0 0 340.423 2.082 40 0 EEABRN Cc1nc(NC(=O)c2cccc(N(C)C)c2)sc1C(=O)N(C)C ZINC000032611666 1352383083 /nfs/dbraw/zinc/38/30/83/1352383083.db2.gz VZDCWYVBIVLBCO-UHFFFAOYSA-N 0 0 332.429 2.472 40 0 EEABRN COc1cccc2c1OCC(=O)N(c1ccc(S(C)(=O)=O)cc1)C2 ZINC000067323822 1354096231 /nfs/dbraw/zinc/09/62/31/1354096231.db2.gz DQVOEDSJZHBNHQ-UHFFFAOYSA-N 0 0 347.392 2.024 40 0 EEABRN CCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cn1 ZINC000908197343 785220259 /nfs/dbraw/zinc/22/02/59/785220259.db2.gz DLTQFWWMFCJXOA-UHFFFAOYSA-N 0 0 345.428 2.114 40 0 EEABRN O=C(c1ccc(F)cc1)N1CC2(C1)CC(=O)N(Cc1ccccc1)O2 ZINC001549168443 1121136073 /nfs/dbraw/zinc/13/60/73/1121136073.db2.gz WMQDNGPYZVZNQO-UHFFFAOYSA-N 0 0 340.354 2.384 40 0 EEABRN CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(F)cc1 ZINC000055750401 214340044 /nfs/dbraw/zinc/34/00/44/214340044.db2.gz LJSSMONRMXIACX-UHFFFAOYSA-N 0 0 348.399 2.424 40 0 EEABRN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCc2ccncc2C)C1 ZINC000162048718 529448619 /nfs/dbraw/zinc/44/86/19/529448619.db2.gz GUTHPPOHBBWBNC-PXAQALGRSA-N 0 0 337.489 2.312 40 0 EEABRN COc1ccc(C(N)=O)c(OCC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000048231058 213898377 /nfs/dbraw/zinc/89/83/77/213898377.db2.gz ITWKKCZLHKWKLI-UHFFFAOYSA-N 0 0 345.351 2.073 40 0 EEABRN COc1cc([C@H]2Nn3c(nnc3-c3cccnc3)S2)ccc1O ZINC000003843133 210079046 /nfs/dbraw/zinc/07/90/46/210079046.db2.gz DRNOZFVOPFIEHN-AWEZNQCLSA-N 0 0 327.369 2.402 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCOC1 ZINC000096408176 295757023 /nfs/dbraw/zinc/75/70/23/295757023.db2.gz LUXDIXOOMWLCFI-CHWSQXEVSA-N 0 0 340.370 2.410 40 0 EEABRN Cc1ccc(NC(=O)CSCC(=O)N=c2sccn2C)cc1 ZINC000102684473 219222680 /nfs/dbraw/zinc/22/26/80/219222680.db2.gz SUIQNFLRBYRYRI-BMRADRMJSA-N 0 0 335.454 2.194 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCCC1 ZINC000205856125 539656710 /nfs/dbraw/zinc/65/67/10/539656710.db2.gz GYFBMZLKHYJARW-UKTHLTGXSA-N 0 0 334.372 2.484 40 0 EEABRN CC1=C[C@@]2(Nc3cc(-c4ccccc4)ccc3O2)C(C(N)=O)=C(N)O1 ZINC000040546364 213345672 /nfs/dbraw/zinc/34/56/72/213345672.db2.gz OFBMEQWICQBWSK-IBGZPJMESA-N 0 0 335.363 2.444 40 0 EEABRN Cc1cc(NCC(=O)NC2CCC(C)CC2)ccc1-n1cnnn1 ZINC000040061566 213256227 /nfs/dbraw/zinc/25/62/27/213256227.db2.gz BDHKOJYGQXQFDO-UHFFFAOYSA-N 0 0 328.420 2.078 40 0 EEABRN CCN(CC)C(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000039986630 213249080 /nfs/dbraw/zinc/24/90/80/213249080.db2.gz HQJRREWJWOGXLY-UHFFFAOYSA-N 0 0 326.462 2.101 40 0 EEABRN CCCc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1CC ZINC000035313044 213020778 /nfs/dbraw/zinc/02/07/78/213020778.db2.gz QOJWHWWNYPLMJX-UHFFFAOYSA-N 0 0 335.429 2.286 40 0 EEABRN COc1ccc(CNC(=O)c2cnc3cc(OC)ccc3c2O)cc1 ZINC000035290309 213018665 /nfs/dbraw/zinc/01/86/65/213018665.db2.gz OZMMWGXUZZEHJD-UHFFFAOYSA-N 0 0 338.363 2.475 40 0 EEABRN CN1CCN(C(=O)CSc2nccc(-c3ccccc3)n2)CC1 ZINC000035183044 213012723 /nfs/dbraw/zinc/01/27/23/213012723.db2.gz GJHSGJCDHVLELM-UHFFFAOYSA-N 0 0 328.441 2.010 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000072241913 216080300 /nfs/dbraw/zinc/08/03/00/216080300.db2.gz TXPTYHUPIKJJCT-YQQAZPJKSA-N 0 0 334.391 2.030 40 0 EEABRN CC(C)OCc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000072264809 216085549 /nfs/dbraw/zinc/08/55/49/216085549.db2.gz RAELCGXQDUWYGO-ZIAGYGMSSA-N 0 0 327.446 2.410 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360330 216166468 /nfs/dbraw/zinc/16/64/68/216166468.db2.gz KUZNHXPJLQOYIX-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN CN(C)c1ccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)nn1 ZINC000072366104 216171634 /nfs/dbraw/zinc/17/16/34/216171634.db2.gz JMCSFPSQLQSDSS-LBPRGKRZSA-N 0 0 331.445 2.094 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cnc(C(=O)N3CCC(C)CC3)cn2)C1 ZINC000072365894 216171930 /nfs/dbraw/zinc/17/19/30/216171930.db2.gz VLKAMUCFAHVXCC-INIZCTEOSA-N 0 0 344.459 2.150 40 0 EEABRN Cc1cc(CCC(N)=O)cc([C@H]2CCCN2Cc2cnc(C)nc2)n1 ZINC000072367144 216173000 /nfs/dbraw/zinc/17/30/00/216173000.db2.gz MBQXVZOWNCBILN-GOSISDBHSA-N 0 0 339.443 2.243 40 0 EEABRN O=C(CO)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378213 216179110 /nfs/dbraw/zinc/17/91/10/216179110.db2.gz CQVIDEKMNMXQAT-INIZCTEOSA-N 0 0 340.427 2.384 40 0 EEABRN COCC(=O)N1CCC(c2cccc(Nc3nnc(C)s3)n2)CC1 ZINC000072376149 216179280 /nfs/dbraw/zinc/17/92/80/216179280.db2.gz GZJRKCYIYNTKNO-UHFFFAOYSA-N 0 0 347.444 2.338 40 0 EEABRN COCC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377802 216179750 /nfs/dbraw/zinc/17/97/50/216179750.db2.gz XIWDNVMGKNMCPV-AWEZNQCLSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1 ZINC000072374647 216177849 /nfs/dbraw/zinc/17/78/49/216177849.db2.gz ZXEPTVUFUZAYGX-CYBMUJFWSA-N 0 0 325.416 2.401 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2ncccn2)n1 ZINC000072382508 216183232 /nfs/dbraw/zinc/18/32/32/216183232.db2.gz KEZRAJXEBQTOIQ-CYBMUJFWSA-N 0 0 342.403 2.019 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395666 216192708 /nfs/dbraw/zinc/19/27/08/216192708.db2.gz FDHNSLMXSIYHIH-LPTSXCQYSA-N 0 0 339.390 2.163 40 0 EEABRN C[C@H]1CN(CC(=O)NCc2cccs2)c2ccccc2NC1=O ZINC000072488775 216263522 /nfs/dbraw/zinc/26/35/22/216263522.db2.gz VHQKJYQIAXLGRX-LBPRGKRZSA-N 0 0 329.425 2.459 40 0 EEABRN O=C(Nc1cccnc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191474187 239134103 /nfs/dbraw/zinc/13/41/03/239134103.db2.gz BYKFOATXGBRLEP-HNNXBMFYSA-N 0 0 328.347 2.143 40 0 EEABRN Cc1cc(Cl)ccc1N(CC(=O)NCC(C)C)S(C)(=O)=O ZINC000022273547 212288141 /nfs/dbraw/zinc/28/81/41/212288141.db2.gz RWQSDVUCLUZRPO-UHFFFAOYSA-N 0 0 332.853 2.187 40 0 EEABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000223293664 241628744 /nfs/dbraw/zinc/62/87/44/241628744.db2.gz SPODXLMXVVXPKS-DHZHZOJOSA-N 0 0 342.420 2.197 40 0 EEABRN CCCCOCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC ZINC000224440655 241760339 /nfs/dbraw/zinc/76/03/39/241760339.db2.gz DBLUUQCLCJZOMF-UHFFFAOYSA-N 0 0 348.443 2.349 40 0 EEABRN CC(C)COCCN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000225723347 242005622 /nfs/dbraw/zinc/00/56/22/242005622.db2.gz CNQLOXUXATWNKQ-UHFFFAOYSA-N 0 0 338.399 2.352 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000133496943 223421410 /nfs/dbraw/zinc/42/14/10/223421410.db2.gz VOYVCQYYNHJEPD-MNOVXSKESA-N 0 0 348.262 2.149 40 0 EEABRN COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1OC)CC2=O ZINC000020800710 212173612 /nfs/dbraw/zinc/17/36/12/212173612.db2.gz BEODCNMDYDHWCT-JTQLQIEISA-N 0 0 327.336 2.083 40 0 EEABRN Cc1ccc(CN2CC3(C2)CC[C@@H](CNc2ncccn2)CO3)o1 ZINC000248122082 243530484 /nfs/dbraw/zinc/53/04/84/243530484.db2.gz VLIWEKNCABRVPQ-HNNXBMFYSA-N 0 0 328.416 2.471 40 0 EEABRN C[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCF ZINC000252496424 243811556 /nfs/dbraw/zinc/81/15/56/243811556.db2.gz PHVMEHIRUNHFAT-UWVGGRQHSA-N 0 0 344.456 2.275 40 0 EEABRN Cn1cc(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)c2ccccc21 ZINC000253401111 243905778 /nfs/dbraw/zinc/90/57/78/243905778.db2.gz MMQYXPFKMCTHMW-OLMNPRSZSA-N 0 0 328.412 2.174 40 0 EEABRN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H](c2ccsc2)O1 ZINC000253428093 243972770 /nfs/dbraw/zinc/97/27/70/243972770.db2.gz HHAUPKNGBACILJ-AAEUAGOBSA-N 0 0 343.470 2.004 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)s1 ZINC000253600140 244031839 /nfs/dbraw/zinc/03/18/39/244031839.db2.gz FUNXIGPSDHYCIG-CYBMUJFWSA-N 0 0 346.460 2.042 40 0 EEABRN Cn1cc(COC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cn1 ZINC000076871934 216819812 /nfs/dbraw/zinc/81/98/12/216819812.db2.gz WEKZOHGVMXSKCR-LJQANCHMSA-N 0 0 341.411 2.406 40 0 EEABRN CCc1nccn1CCC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257199933 244114867 /nfs/dbraw/zinc/11/48/67/244114867.db2.gz ABIMAFZMHKBLGT-INIZCTEOSA-N 0 0 341.459 2.358 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CCN1C ZINC000257201457 244120912 /nfs/dbraw/zinc/12/09/12/244120912.db2.gz AHUOHYYETTVNLQ-INIZCTEOSA-N 0 0 341.411 2.233 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)n1 ZINC000257201192 244121387 /nfs/dbraw/zinc/12/13/87/244121387.db2.gz AGSHWMIYADBPOF-INIZCTEOSA-N 0 0 337.427 2.484 40 0 EEABRN CN(C(=O)c1ncccn1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257202465 244125083 /nfs/dbraw/zinc/12/50/83/244125083.db2.gz ALXXYMJJMWATMM-BRWVUGGUSA-N 0 0 341.411 2.300 40 0 EEABRN COc1ccccc1[C@H]1CN(Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215121 244162274 /nfs/dbraw/zinc/16/22/74/244162274.db2.gz COUGSPDYMMNSDF-GOSISDBHSA-N 0 0 340.427 2.199 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257215857 244166789 /nfs/dbraw/zinc/16/67/89/244166789.db2.gz CRZADVAUUYPXEX-HNNXBMFYSA-N 0 0 345.374 2.162 40 0 EEABRN Cc1ncc(CN2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)cn1 ZINC000257223866 244194501 /nfs/dbraw/zinc/19/45/01/244194501.db2.gz DZGYXGHUMZQIBI-SFHVURJKSA-N 0 0 341.459 2.080 40 0 EEABRN Cc1oc2c(c1C(=O)N1CCO[C@H](c3cnccn3)C1)CCCC2 ZINC000257244202 244252688 /nfs/dbraw/zinc/25/26/88/244252688.db2.gz IKJIDLMTFCXZBM-INIZCTEOSA-N 0 0 327.384 2.471 40 0 EEABRN O=C(Cc1cccnc1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257234186 244223490 /nfs/dbraw/zinc/22/34/90/244223490.db2.gz GSMWNJCTMFSHKB-HNNXBMFYSA-N 0 0 337.383 2.126 40 0 EEABRN CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)nc(C)n1 ZINC000257234340 244224451 /nfs/dbraw/zinc/22/44/51/244224451.db2.gz GTBOPUDHRQJEAS-GFCCVEGCSA-N 0 0 338.458 2.414 40 0 EEABRN CCC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257251173 244269090 /nfs/dbraw/zinc/26/90/90/244269090.db2.gz JPSUTIWMLGMRNQ-KRWDZBQOSA-N 0 0 347.390 2.480 40 0 EEABRN CC(C)n1nccc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257252280 244273811 /nfs/dbraw/zinc/27/38/11/244273811.db2.gz JUFAEEIFNDDRAH-HNNXBMFYSA-N 0 0 329.404 2.426 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)c1cccc(CN2CCOCC2)c1 ZINC000020048427 212097842 /nfs/dbraw/zinc/09/78/42/212097842.db2.gz HZZUNJMLMCAEFF-UHFFFAOYSA-N 0 0 340.379 2.500 40 0 EEABRN Cc1cc(N2CCC[C@H](Cc3cncc(-c4cncn4C)n3)C2)ncn1 ZINC000257267035 244364033 /nfs/dbraw/zinc/36/40/33/244364033.db2.gz MFRSPVRNHWIDIW-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)c2cscn2)CCN1C(C)=O ZINC000257267782 244368070 /nfs/dbraw/zinc/36/80/70/244368070.db2.gz MISMFFOWXXTQLK-OAHLLOKOSA-N 0 0 345.424 2.197 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)CO[C@@H](Cc2cccc(F)c2)C3)cn1 ZINC000257273088 244382138 /nfs/dbraw/zinc/38/21/38/244382138.db2.gz NFFHEKGRVIFMQY-INIZCTEOSA-N 0 0 329.375 2.033 40 0 EEABRN COc1ccc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 ZINC000019937190 212087918 /nfs/dbraw/zinc/08/79/18/212087918.db2.gz URCDMWACGOGXNS-UHFFFAOYSA-N 0 0 335.363 2.376 40 0 EEABRN O=C(Cn1nnc2ccccc21)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257275041 244389000 /nfs/dbraw/zinc/38/90/00/244389000.db2.gz NNROCXBDFCSSEF-INIZCTEOSA-N 0 0 335.411 2.308 40 0 EEABRN Cn1c(=O)oc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc21 ZINC000019936564 212087521 /nfs/dbraw/zinc/08/75/21/212087521.db2.gz IGHDLGZMBOOCFN-UHFFFAOYSA-N 0 0 340.307 2.211 40 0 EEABRN Cc1ccc(NC(=O)Cn2c(=O)sc3ccccc3c2=O)cc1 ZINC000019960891 212090357 /nfs/dbraw/zinc/09/03/57/212090357.db2.gz BZTHMCXEAYZITM-UHFFFAOYSA-N 0 0 326.377 2.370 40 0 EEABRN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000096467019 296142383 /nfs/dbraw/zinc/14/23/83/296142383.db2.gz SEFVSPBQKZWYGK-RNCFNFMXSA-N 0 0 348.415 2.106 40 0 EEABRN COCCC(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257292063 244437537 /nfs/dbraw/zinc/43/75/37/244437537.db2.gz QJUJPQYKLIXXGH-IKGGRYGDSA-N 0 0 330.428 2.424 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868848 212077502 /nfs/dbraw/zinc/07/75/02/212077502.db2.gz HRLCNZFJVOYUFX-CHWSQXEVSA-N 0 0 344.502 2.454 40 0 EEABRN Cc1cn(C)c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 ZINC000257311105 244490924 /nfs/dbraw/zinc/49/09/24/244490924.db2.gz UHYGEGOJRGLJJG-MRXNPFEDSA-N 0 0 325.416 2.189 40 0 EEABRN O=C(CCc1cccs1)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257338506 244567996 /nfs/dbraw/zinc/56/79/96/244567996.db2.gz YXTFPMXKEGGXHV-AWEZNQCLSA-N 0 0 331.441 2.188 40 0 EEABRN CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706483 212055676 /nfs/dbraw/zinc/05/56/76/212055676.db2.gz MPZAMSUUZGJYJU-OAHLLOKOSA-N 0 0 331.464 2.010 40 0 EEABRN COCCc1nnc(NC(=O)c2c[nH]c3ccc(OC)cc32)s1 ZINC000019593885 212050649 /nfs/dbraw/zinc/05/06/49/212050649.db2.gz QZDZSKPSOBIIJC-UHFFFAOYSA-N 0 0 332.385 2.469 40 0 EEABRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000019499707 212033994 /nfs/dbraw/zinc/03/39/94/212033994.db2.gz XEUVDFRHXBDGQC-INIZCTEOSA-N 0 0 328.464 2.155 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000078056873 217016377 /nfs/dbraw/zinc/01/63/77/217016377.db2.gz XXFDVMLQORJJCB-OAHLLOKOSA-N 0 0 342.395 2.213 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000019117709 212000587 /nfs/dbraw/zinc/00/05/87/212000587.db2.gz WIUJDMQWDAOASM-OAHLLOKOSA-N 0 0 341.411 2.448 40 0 EEABRN C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O ZINC000078471357 217057744 /nfs/dbraw/zinc/05/77/44/217057744.db2.gz FOXDEYLCTCPJHK-FQEVSTJZSA-N 0 0 349.390 2.220 40 0 EEABRN O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000078556648 217076900 /nfs/dbraw/zinc/07/69/00/217076900.db2.gz YUJJECKJYBEPSM-BZUAXINKSA-N 0 0 331.416 2.169 40 0 EEABRN CC(C)(C)C1CCC(O)(CNC(=O)COC[C@@H]2CCCO2)CC1 ZINC000078646908 217094363 /nfs/dbraw/zinc/09/43/63/217094363.db2.gz MFVPBEKBRYVNLX-CSLYMUCUSA-N 0 0 327.465 2.266 40 0 EEABRN Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)cnn1C ZINC000078769781 217117011 /nfs/dbraw/zinc/11/70/11/217117011.db2.gz RUEUCIRPFABFBN-OAHLLOKOSA-N 0 0 344.440 2.191 40 0 EEABRN Cc1cc(NC(=O)CCNC(=O)N2CCc3ccccc3C2)no1 ZINC000078926444 217150354 /nfs/dbraw/zinc/15/03/54/217150354.db2.gz ROQNLZQHQSLOMZ-UHFFFAOYSA-N 0 0 328.372 2.080 40 0 EEABRN CO[C@H](C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000078997670 217169581 /nfs/dbraw/zinc/16/95/81/217169581.db2.gz MVEXNLKWGZFXPD-RDJZCZTQSA-N 0 0 342.370 2.435 40 0 EEABRN C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccnn1C ZINC000078998783 217169884 /nfs/dbraw/zinc/16/98/84/217169884.db2.gz MAIMPUCKSQOIKW-SNVBAGLBSA-N 0 0 338.205 2.266 40 0 EEABRN CCCCCNC(=O)C1CCN(c2cc(C(=O)N(C)C)ccn2)CC1 ZINC000079029419 217178104 /nfs/dbraw/zinc/17/81/04/217178104.db2.gz OKJJPOXWKNYAFP-UHFFFAOYSA-N 0 0 346.475 2.306 40 0 EEABRN CC1(C)CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)c2ccccc21 ZINC000079298119 217204059 /nfs/dbraw/zinc/20/40/59/217204059.db2.gz QOAWUOOCDUVJGF-OAHLLOKOSA-N 0 0 343.427 2.247 40 0 EEABRN C[C@H](c1cccnc1)N1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000079352910 217213698 /nfs/dbraw/zinc/21/36/98/217213698.db2.gz KHDGALARSOGWFB-OAHLLOKOSA-N 0 0 339.443 2.062 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@H]2SCCc3sccc32)n1C ZINC000080243952 217291579 /nfs/dbraw/zinc/29/15/79/217291579.db2.gz VXCSWFWTCOZUPL-ZDUSSCGKSA-N 0 0 336.486 2.194 40 0 EEABRN COc1ccc(OCCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015357844 211818725 /nfs/dbraw/zinc/81/87/25/211818725.db2.gz QAFUQMNBIDYDMF-UHFFFAOYSA-N 0 0 337.397 2.061 40 0 EEABRN Cc1nc(C)n(Cc2cccc(NC(=O)N(C)CC[C@H](C)O)c2)n1 ZINC000085619104 217680137 /nfs/dbraw/zinc/68/01/37/217680137.db2.gz XCXGFKORPJBPBJ-LBPRGKRZSA-N 0 0 331.420 2.178 40 0 EEABRN Cc1cc2ccccc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12 ZINC000012182057 211312660 /nfs/dbraw/zinc/31/26/60/211312660.db2.gz VIHBGDOMFZJLSW-UHFFFAOYSA-N 0 0 338.411 2.407 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CCC(C)CC3)n2)o1 ZINC000012182780 211312003 /nfs/dbraw/zinc/31/20/03/211312003.db2.gz IRNWLAUMHNTCGP-UHFFFAOYSA-N 0 0 344.415 2.089 40 0 EEABRN O=C(C1CC1)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000012182301 211311681 /nfs/dbraw/zinc/31/16/81/211311681.db2.gz YAXWZASDCPDPHQ-INIZCTEOSA-N 0 0 341.386 2.450 40 0 EEABRN COc1cccc(CC(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)c1 ZINC000012114728 211293761 /nfs/dbraw/zinc/29/37/61/211293761.db2.gz CWLSJBICQZODCJ-LBPRGKRZSA-N 0 0 337.383 2.295 40 0 EEABRN Cc1nn(CC(=O)NC2CCCCC2)c(=O)c2cc3ccsc3n21 ZINC000012114211 211293125 /nfs/dbraw/zinc/29/31/25/211293125.db2.gz IIRRTZUOEBCYLP-UHFFFAOYSA-N 0 0 344.440 2.468 40 0 EEABRN C[C@@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000091427603 218004416 /nfs/dbraw/zinc/00/44/16/218004416.db2.gz GVXVLWXZQSKSPW-LDYMZIIASA-N 0 0 338.351 2.332 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000091622507 218033326 /nfs/dbraw/zinc/03/33/26/218033326.db2.gz HHYGSIYDHQDUFG-DOMZBBRYSA-N 0 0 330.436 2.406 40 0 EEABRN Cc1cc(C(=O)OC[C@@H]2CNC(=O)C2)c(C)cc1Br ZINC000091889495 218082672 /nfs/dbraw/zinc/08/26/72/218082672.db2.gz LEQUBKBUROXVNS-JTQLQIEISA-N 0 0 326.190 2.359 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCc4[nH]c5ccccc5c4C3)nc2n1 ZINC000009902537 211131536 /nfs/dbraw/zinc/13/15/36/211131536.db2.gz NPMZOCPQRNDCQH-UHFFFAOYSA-N 0 0 346.394 2.421 40 0 EEABRN CCc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)n(C)n1 ZINC000095401125 218335494 /nfs/dbraw/zinc/33/54/94/218335494.db2.gz IVBGPQHXGPAFQU-AAEUAGOBSA-N 0 0 346.456 2.387 40 0 EEABRN Cc1cc(C)cc([C@@H](C)NC(=O)CCC(=O)N2CCC(O)CC2)c1 ZINC000095451526 218395322 /nfs/dbraw/zinc/39/53/22/218395322.db2.gz LYAJFKCMSDEXFD-OAHLLOKOSA-N 0 0 332.444 2.244 40 0 EEABRN O=C(c1cccs1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC000096049170 218538860 /nfs/dbraw/zinc/53/88/60/218538860.db2.gz PYBDWCILJJWHDJ-QGZVFWFLSA-N 0 0 344.440 2.050 40 0 EEABRN COc1cccc2cc(C(=O)N3CCO[C@H]4[C@H](OC)CC[C@@H]43)oc21 ZINC000096065744 218561403 /nfs/dbraw/zinc/56/14/03/218561403.db2.gz CSQQXVMAEFVBPN-DXCKQFNASA-N 0 0 331.368 2.460 40 0 EEABRN Cc1ccc(N2Cc3c(CN4CCCC4=O)nn(C(C)C)c3C2)nn1 ZINC000096084539 218583146 /nfs/dbraw/zinc/58/31/46/218583146.db2.gz SHNRGSKFGARHEW-UHFFFAOYSA-N 0 0 340.431 2.205 40 0 EEABRN COc1cc(=O)n(CC(=O)NCc2ccccc2)nc1-c1ccccc1 ZINC000096100848 218594521 /nfs/dbraw/zinc/59/45/21/218594521.db2.gz RNEQXXXYFOBFQH-UHFFFAOYSA-N 0 0 349.390 2.235 40 0 EEABRN Cc1cc(N(C)C)nc(CNC(=O)COc2ccc(Cl)cc2)n1 ZINC000096120965 218612489 /nfs/dbraw/zinc/61/24/89/218612489.db2.gz TWHHEBFPDFPEHZ-UHFFFAOYSA-N 0 0 334.807 2.200 40 0 EEABRN O=C(C1CC=CC1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096223319 218699245 /nfs/dbraw/zinc/69/92/45/218699245.db2.gz JIBSZHXXFYCPMM-QAPCUYQASA-N 0 0 346.406 2.144 40 0 EEABRN CCc1ccc([C@H]2COCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000096412275 218769084 /nfs/dbraw/zinc/76/90/84/218769084.db2.gz JOSWALZKUSJYSQ-OAHLLOKOSA-N 0 0 341.367 2.225 40 0 EEABRN Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000096427005 218798023 /nfs/dbraw/zinc/79/80/23/218798023.db2.gz ZDKQPQHPVFEOEX-CTDFXDFQSA-N 0 0 339.439 2.390 40 0 EEABRN CC[C@H]1CCCN1S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F ZINC000096427898 218800545 /nfs/dbraw/zinc/80/05/45/218800545.db2.gz LMWVGDHZBXHXEG-NSHDSACASA-N 0 0 332.372 2.486 40 0 EEABRN O=C(Cn1cc(Nc2nc3ccccc3s2)cn1)N1CCOCC1 ZINC000096429576 218803503 /nfs/dbraw/zinc/80/35/03/218803503.db2.gz PPYQQBRIYFTEHD-UHFFFAOYSA-N 0 0 343.412 2.095 40 0 EEABRN C[C@@](NC(=O)C[C@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454543 218838428 /nfs/dbraw/zinc/83/84/28/218838428.db2.gz WEYQKDOHHMTGIH-DOMZBBRYSA-N 0 0 344.333 2.091 40 0 EEABRN CCNC(=O)CNC(=O)N[C@@H](CC)c1ccccc1Br ZINC000096475178 218852550 /nfs/dbraw/zinc/85/25/50/218852550.db2.gz OCFIMYDGSDHVMI-LBPRGKRZSA-N 0 0 342.237 2.336 40 0 EEABRN O=S(=O)(N1CCOCC1)C(F)(F)c1nc2ccccc2s1 ZINC000005519539 210480267 /nfs/dbraw/zinc/48/02/67/210480267.db2.gz MHHLRQMVQLDPHV-UHFFFAOYSA-N 0 0 334.369 2.008 40 0 EEABRN O=C(CN(C[C@@H]1CCCO1)c1cnc2ccccc2n1)N1CCCC1 ZINC000096483192 218859094 /nfs/dbraw/zinc/85/90/94/218859094.db2.gz OOCISABKKPNTHF-HNNXBMFYSA-N 0 0 340.427 2.238 40 0 EEABRN COc1ccc([C@@H](O)[C@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519805 218881876 /nfs/dbraw/zinc/88/18/76/218881876.db2.gz KHMHTNNZADKFIU-NXEZZACHSA-N 0 0 343.626 2.061 40 0 EEABRN Cc1nn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149197 210399734 /nfs/dbraw/zinc/39/97/34/210399734.db2.gz VFFJJZWIYUHQQT-RYUDHWBXSA-N 0 0 342.399 2.340 40 0 EEABRN Nc1c(C(=O)NCc2cccs2)nnn1-c1ccc(Cl)cc1 ZINC000004984358 210349204 /nfs/dbraw/zinc/34/92/04/210349204.db2.gz LYUKCMRISXILJH-UHFFFAOYSA-N 0 0 333.804 2.494 40 0 EEABRN CC(=O)c1csc(C(=O)N2CCN(c3ccnc(C)n3)CC2)c1 ZINC000097376539 219019411 /nfs/dbraw/zinc/01/94/11/219019411.db2.gz SSCIJPHKZNEMKE-UHFFFAOYSA-N 0 0 330.413 2.012 40 0 EEABRN C[C@]12CC[C@H]3[C@@H](C[C@H](N4CC4)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922979 221204572 /nfs/dbraw/zinc/20/45/72/221204572.db2.gz DLLYIRQRNHFLFN-FRCIZUGGSA-N 0 0 347.499 2.368 40 0 EEABRN C[C@@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000274183886 256361968 /nfs/dbraw/zinc/36/19/68/256361968.db2.gz PGWKTAWUSGUCRF-WFASDCNBSA-N 0 0 327.421 2.355 40 0 EEABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000408561378 257896583 /nfs/dbraw/zinc/89/65/83/257896583.db2.gz INUSRPSARWXRPH-UHFFFAOYSA-N 0 0 327.450 2.495 40 0 EEABRN Cc1cc(C)n2nc(Sc3nc(C(C)C)nc(N(C)C)n3)nc2n1 ZINC000270950925 257997005 /nfs/dbraw/zinc/99/70/05/257997005.db2.gz OQVSXUZRMOMADG-UHFFFAOYSA-N 0 0 344.448 2.267 40 0 EEABRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H](O)c1cnn(C)c1 ZINC000330031970 258003053 /nfs/dbraw/zinc/00/30/53/258003053.db2.gz GSTADCRKDOPKPE-CYBMUJFWSA-N 0 0 343.305 2.011 40 0 EEABRN Cc1cccc(Nc2nc3nonc3nc2N2CCN(C)CC2)c1C ZINC000059596847 132804419 /nfs/dbraw/zinc/80/44/19/132804419.db2.gz SGRPQZYZENMAGH-UHFFFAOYSA-N 0 0 339.403 2.125 40 0 EEABRN COCCC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000072327755 292276240 /nfs/dbraw/zinc/27/62/40/292276240.db2.gz POPGMGDTBRBTCH-KXBFYZLASA-N 0 0 346.427 2.044 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000247970903 287297041 /nfs/dbraw/zinc/29/70/41/287297041.db2.gz AHROYOFTHSBXBC-VHDGCEQUSA-N 0 0 336.457 2.170 40 0 EEABRN CCOC(=O)[C@H]1Cc2c(=O)[nH]c(=S)[nH]c2O[C@@H]1c1ccccc1 ZINC000017126505 276294874 /nfs/dbraw/zinc/29/48/74/276294874.db2.gz LIWQKHOSGMYYSE-CMPLNLGQSA-N 0 0 332.381 2.326 40 0 EEABRN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2sc1=O ZINC000225701847 278124385 /nfs/dbraw/zinc/12/43/85/278124385.db2.gz QGUDERNRHIBGBC-UHFFFAOYSA-N 0 0 326.443 2.428 40 0 EEABRN Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)c3ccccc3c2=O)n1 ZINC000016768202 280301166 /nfs/dbraw/zinc/30/11/66/280301166.db2.gz GCNSFAOLSWGCFK-UHFFFAOYSA-N 0 0 330.347 2.444 40 0 EEABRN O=C1Oc2nc3cc4c(cc3cc2CN1C[C@H]1CCCO1)OCO4 ZINC000072396354 280313009 /nfs/dbraw/zinc/31/30/09/280313009.db2.gz OIEWOIBOCODLAB-GFCCVEGCSA-N 0 0 328.324 2.457 40 0 EEABRN COc1coc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1=O ZINC000281516377 292762137 /nfs/dbraw/zinc/76/21/37/292762137.db2.gz LARAOMQWPVCDAP-UHFFFAOYSA-N 0 0 342.395 2.228 40 0 EEABRN Cc1nc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)sc1C ZINC000173317708 293262308 /nfs/dbraw/zinc/26/23/08/293262308.db2.gz RXTCIUXZWUAHFR-QGZVFWFLSA-N 0 0 343.408 2.490 40 0 EEABRN CO[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000253431884 293706825 /nfs/dbraw/zinc/70/68/25/293706825.db2.gz IJEIEUGZEBOKCH-HZPDHXFCSA-N 0 0 337.464 2.131 40 0 EEABRN Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000072241408 301361087 /nfs/dbraw/zinc/36/10/87/301361087.db2.gz VVPNSEKATAYYIN-GJZGRUSLSA-N 0 0 349.774 2.173 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCCC3)OCC(=O)N2C)cc1 ZINC000096181563 301774305 /nfs/dbraw/zinc/77/43/05/301774305.db2.gz MABHPSBHCVFLPL-MSOLQXFVSA-N 0 0 330.428 2.296 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072239431 301844838 /nfs/dbraw/zinc/84/48/38/301844838.db2.gz LHOARGIZSCGVNW-RDJZCZTQSA-N 0 0 332.469 2.480 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)n1 ZINC000072241605 302004064 /nfs/dbraw/zinc/00/40/64/302004064.db2.gz HPKNTKRNRKRINP-IRXDYDNUSA-N 0 0 343.358 2.066 40 0 EEABRN Cc1cccc2ncnc(N3CCCC[C@H]3CCNS(C)(=O)=O)c12 ZINC000195538548 302071502 /nfs/dbraw/zinc/07/15/02/302071502.db2.gz KEVPZRSTXJVWPY-AWEZNQCLSA-N 0 0 348.472 2.236 40 0 EEABRN NC(=O)CC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000330961727 311803640 /nfs/dbraw/zinc/80/36/40/311803640.db2.gz PUISFFRHOLGRPN-LLVKDONJSA-N 0 0 327.178 2.274 40 0 EEABRN CN(C)C(=O)c1ccnc(NCc2cn(C)nc2-c2ccncc2)c1 ZINC000097102145 323320565 /nfs/dbraw/zinc/32/05/65/323320565.db2.gz CNAYOXVESOJUNZ-UHFFFAOYSA-N 0 0 336.399 2.191 40 0 EEABRN Cn1cccc1[C@H]1COCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000097103570 323321574 /nfs/dbraw/zinc/32/15/74/323321574.db2.gz PMLHPQORXIZGRW-MRXNPFEDSA-N 0 0 327.432 2.402 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000195429465 323511819 /nfs/dbraw/zinc/51/18/19/323511819.db2.gz UORZMIJRIZTLEM-GOEBONIOSA-N 0 0 349.452 2.274 40 0 EEABRN CC[C@@H](NCc1cn2ccccc2n1)c1cccc(S(N)(=O)=O)c1 ZINC000195558340 323514349 /nfs/dbraw/zinc/51/43/49/323514349.db2.gz RNEWVFVHPICJQY-MRXNPFEDSA-N 0 0 344.440 2.223 40 0 EEABRN COC(=O)C[C@H](NS(=O)(=O)c1ccsc1)c1ccc(F)cc1 ZINC000390834661 323545789 /nfs/dbraw/zinc/54/57/89/323545789.db2.gz MBTAGSOQEIIJAU-ZDUSSCGKSA-N 0 0 343.401 2.470 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 ZINC000000056479 462540873 /nfs/dbraw/zinc/54/08/73/462540873.db2.gz YQYRQRUZQNRJIW-UHFFFAOYSA-N 0 0 334.349 2.093 40 0 EEABRN O=S(=O)(NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000000151773 462544081 /nfs/dbraw/zinc/54/40/81/462544081.db2.gz UQPWXESMPJIDPW-UHFFFAOYSA-N 0 0 332.425 2.002 40 0 EEABRN CN(C)c1nc(SCc2ccccc2)nc(N2CCOCC2)n1 ZINC000000810533 462573325 /nfs/dbraw/zinc/57/33/25/462573325.db2.gz GDQSEKJQTOPTTB-UHFFFAOYSA-N 0 0 331.445 2.067 40 0 EEABRN COC(=O)c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 ZINC000001330547 462579268 /nfs/dbraw/zinc/57/92/68/462579268.db2.gz ZNTBXZBTKXZAPY-UHFFFAOYSA-N 0 0 336.413 2.009 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=O)Cc2nc3ccccc3s2)cc1 ZINC000001851284 462587660 /nfs/dbraw/zinc/58/76/60/462587660.db2.gz ORXWNCCBUMNYFE-UHFFFAOYSA-N 0 0 347.421 2.125 40 0 EEABRN CCOc1ccc(-c2c[n+]([O-])c3c([n+]2[O-])CCCC3)c(OCC)c1 ZINC000002350613 462592658 /nfs/dbraw/zinc/59/26/58/462592658.db2.gz VYJGWCITKPTUEJ-UHFFFAOYSA-N 0 0 330.384 2.297 40 0 EEABRN CCn1cc(CN(C)C(=O)c2c(Br)cnn2CC)cn1 ZINC000002777837 462601526 /nfs/dbraw/zinc/60/15/26/462601526.db2.gz SNAUBJLUUFAXQC-UHFFFAOYSA-N 0 0 340.225 2.154 40 0 EEABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000128035683 462603789 /nfs/dbraw/zinc/60/37/89/462603789.db2.gz JGDMTXBZESACPG-OAHLLOKOSA-N 0 0 346.452 2.326 40 0 EEABRN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1C ZINC000003588021 462623520 /nfs/dbraw/zinc/62/35/20/462623520.db2.gz CVIFIEISJWWMHD-GFCCVEGCSA-N 0 0 331.445 2.370 40 0 EEABRN CC[C@@H](C)N1c2ccccc2[C@@](O)([C@@H]2COC(C)(C)CC2=O)C1=O ZINC000004027440 462626091 /nfs/dbraw/zinc/62/60/91/462626091.db2.gz JAIOBOFIGKVRCE-BBEGDGIKSA-N 0 0 331.412 2.404 40 0 EEABRN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OC(C)(C)C(=O)N3)C1 ZINC000046088712 462646326 /nfs/dbraw/zinc/64/63/26/462646326.db2.gz HQVUYTILWBQKEA-NSHDSACASA-N 0 0 338.429 2.217 40 0 EEABRN CCOc1ccccc1NC(=O)C(=O)NCc1cccc(OC)c1 ZINC000005251444 462652463 /nfs/dbraw/zinc/65/24/63/462652463.db2.gz AVYMKFNYTSFAON-UHFFFAOYSA-N 0 0 328.368 2.349 40 0 EEABRN COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005415925 462658829 /nfs/dbraw/zinc/65/88/29/462658829.db2.gz YKLYEQNIEJGYHU-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN CCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC)cc1 ZINC000007304674 462728817 /nfs/dbraw/zinc/72/88/17/462728817.db2.gz OHSQPYNTKXZVOP-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 ZINC000007419511 462734394 /nfs/dbraw/zinc/73/43/94/462734394.db2.gz ZMIPRHNWOMKZFW-UHFFFAOYSA-N 0 0 341.346 2.218 40 0 EEABRN C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000047188668 462752611 /nfs/dbraw/zinc/75/26/11/462752611.db2.gz GRQFNGIGNYKWPG-WMLDXEAASA-N 0 0 343.427 2.108 40 0 EEABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000065364307 462758834 /nfs/dbraw/zinc/75/88/34/462758834.db2.gz WMGHIMAKWZKMBQ-JJRVBVJISA-N 0 0 348.468 2.390 40 0 EEABRN CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008080330 462765489 /nfs/dbraw/zinc/76/54/89/462765489.db2.gz MPVSJLQXDKLCRC-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000008478020 462785560 /nfs/dbraw/zinc/78/55/60/462785560.db2.gz GLALIQTVHITNEQ-UHFFFAOYSA-N 0 0 330.837 2.165 40 0 EEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000008560258 462787800 /nfs/dbraw/zinc/78/78/00/462787800.db2.gz IQPHOUYNTMNVLH-GFCCVEGCSA-N 0 0 340.445 2.008 40 0 EEABRN Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCC(N)=O ZINC000008571288 462789336 /nfs/dbraw/zinc/78/93/36/462789336.db2.gz XZYGUBBCVPMJHJ-XNTDXEJSSA-N 0 0 335.363 2.405 40 0 EEABRN CC[C@@H]1Oc2nc3ccc(OC)cc3cc2CN(CCOC)C1=O ZINC000012115628 462843436 /nfs/dbraw/zinc/84/34/36/462843436.db2.gz CXBOUUUKNRQCRZ-INIZCTEOSA-N 0 0 330.384 2.389 40 0 EEABRN CC(C)c1ncc2c(n1)C1(CCN(C(=O)c3cc[nH]n3)CC1)OCC2 ZINC000012128961 462844015 /nfs/dbraw/zinc/84/40/15/462844015.db2.gz XSFTWMBCCADSKT-UHFFFAOYSA-N 0 0 341.415 2.027 40 0 EEABRN O=C(NC(=S)NNc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014257600 462923438 /nfs/dbraw/zinc/92/34/38/462923438.db2.gz IJAZRSOKWIDETH-UHFFFAOYSA-N 0 0 329.381 2.089 40 0 EEABRN O=C(COc1ccccc1)N1CCN(C[C@H](O)c2cccs2)CC1 ZINC000049031315 462951442 /nfs/dbraw/zinc/95/14/42/462951442.db2.gz LODHXGNRNXXFIO-INIZCTEOSA-N 0 0 346.452 2.005 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000015563970 462955325 /nfs/dbraw/zinc/95/53/25/462955325.db2.gz IPQGOYXDNCGBEN-UHFFFAOYSA-N 0 0 326.324 2.125 40 0 EEABRN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ncc[nH]3)n2)c1 ZINC000015674412 462960216 /nfs/dbraw/zinc/96/02/16/462960216.db2.gz PGKNEJHNYMEMKA-KGLIPLIRSA-N 0 0 325.372 2.076 40 0 biogenic,in-vitro EEABRN CN1Cc2nc[nH]c2C[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000015676341 462960373 /nfs/dbraw/zinc/96/03/73/462960373.db2.gz JCHTYYXTKUTLMK-IBGZPJMESA-N 0 0 338.455 2.248 40 0 biogenic,in-vitro EEABRN O=C(CSc1ccc2ccccc2n1)NCCCN1CCOCC1 ZINC000016526043 462982394 /nfs/dbraw/zinc/98/23/94/462982394.db2.gz GQSFFXOOSNOKTJ-UHFFFAOYSA-N 0 0 345.468 2.165 40 0 EEABRN CC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016575441 462982476 /nfs/dbraw/zinc/98/24/76/462982476.db2.gz IGHCSTNGDOAJEC-UHFFFAOYSA-N 0 0 348.424 2.391 40 0 EEABRN CCOC(=O)[C@H](CSCSC)NC(=O)/C=C\c1cccnc1 ZINC000017005512 462992326 /nfs/dbraw/zinc/99/23/26/462992326.db2.gz JMJOGQHCDXTJHJ-FWWRYZNZSA-N 0 0 340.470 2.196 40 0 EEABRN CCOP(=O)(OCC)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OC ZINC000016958384 462992885 /nfs/dbraw/zinc/99/28/85/462992885.db2.gz SRDJUQZKMPKQOH-CMDGGOBGSA-N 0 0 348.317 2.143 40 0 EEABRN O=C(CCCn1cncn1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000077638716 463015984 /nfs/dbraw/zinc/01/59/84/463015984.db2.gz OGSBMDOMSRGBKX-LBPRGKRZSA-N 0 0 343.214 2.215 40 0 EEABRN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O ZINC000019696514 463021144 /nfs/dbraw/zinc/02/11/44/463021144.db2.gz YTILVSGUDQYTOA-SFHVURJKSA-N 0 0 327.384 2.011 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000134359894 463030363 /nfs/dbraw/zinc/03/03/63/463030363.db2.gz UMVUGJMZTLBGHQ-RDJZCZTQSA-N 0 0 345.443 2.213 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1ccc(Cl)cc1 ZINC000134381866 463032104 /nfs/dbraw/zinc/03/21/04/463032104.db2.gz LWECEVPSUWUQDW-IUODEOHRSA-N 0 0 326.824 2.064 40 0 EEABRN CC(=O)N1C(=N)S/C(=C/c2cc3cc(C)ccc3[nH]c2=O)C1=O ZINC000021596575 463038607 /nfs/dbraw/zinc/03/86/07/463038607.db2.gz NKHRVAHCNYYWIP-VPLROYGOSA-N 0 0 327.365 2.234 40 0 EEABRN CC(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000095101335 463067045 /nfs/dbraw/zinc/06/70/45/463067045.db2.gz HSCYOJPAYHEMHB-DDUZABMNSA-N 0 0 348.374 2.261 40 0 EEABRN CCc1onc(C)c1NC(=O)C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000134814445 463083821 /nfs/dbraw/zinc/08/38/21/463083821.db2.gz DHMKUFLKFZTDTF-CQSZACIVSA-N 0 0 342.399 2.197 40 0 EEABRN O=S(=O)(N[C@H]1CCCN(c2ccccn2)C1)c1cccc(F)c1 ZINC000078515391 463123385 /nfs/dbraw/zinc/12/33/85/463123385.db2.gz QBIVJEIXUCVNIL-AWEZNQCLSA-N 0 0 335.404 2.168 40 0 EEABRN Fc1cccnc1OC[C@@]12CCCO[C@@H]1CCN(c1ncccn1)C2 ZINC000096040478 463145552 /nfs/dbraw/zinc/14/55/52/463145552.db2.gz YQCRHSAYSZDNNQ-QAPCUYQASA-N 0 0 344.390 2.465 40 0 EEABRN c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)c1 ZINC000096041722 463146355 /nfs/dbraw/zinc/14/63/55/463146355.db2.gz URSOFHVDPNJFNG-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1 ZINC000096045364 463149491 /nfs/dbraw/zinc/14/94/91/463149491.db2.gz LAGPDOMJMMDYBG-MRXNPFEDSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3nccs3)C2)CC1=O ZINC000096050945 463154614 /nfs/dbraw/zinc/15/46/14/463154614.db2.gz DRQZXHKNQBAPME-QGZVFWFLSA-N 0 0 346.456 2.373 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000096054353 463156532 /nfs/dbraw/zinc/15/65/32/463156532.db2.gz AFXVJTDCDDZFSB-SJORKVTESA-N 0 0 333.457 2.438 40 0 EEABRN Cc1occc1C(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000096062483 463163396 /nfs/dbraw/zinc/16/33/96/463163396.db2.gz ODMPPZLKRMPTBG-LJQANCHMSA-N 0 0 341.411 2.352 40 0 EEABRN O=C(c1ccccn1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096073241 463166764 /nfs/dbraw/zinc/16/67/64/463166764.db2.gz IHSSBHYTIFJDMI-MRXNPFEDSA-N 0 0 339.395 2.319 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096072456 463167693 /nfs/dbraw/zinc/16/76/93/463167693.db2.gz GRMMOZAKZCIDSK-QAPCUYQASA-N 0 0 343.383 2.139 40 0 EEABRN O=C(c1ccco1)N1CC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096072403 463167795 /nfs/dbraw/zinc/16/77/95/463167795.db2.gz AYFUJWGZCJWFDP-MAUKXSAKSA-N 0 0 328.368 2.265 40 0 EEABRN Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]3C2=O)cs1 ZINC000096080668 463168748 /nfs/dbraw/zinc/16/87/48/463168748.db2.gz ADVVYUZGNLXUAM-DOMZBBRYSA-N 0 0 345.424 2.084 40 0 EEABRN Cn1cnc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)c1 ZINC000096104119 463173861 /nfs/dbraw/zinc/17/38/61/463173861.db2.gz XIKMZKRVHAGMMJ-UHFFFAOYSA-N 0 0 349.460 2.088 40 0 EEABRN CCO[C@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096106590 463175490 /nfs/dbraw/zinc/17/54/90/463175490.db2.gz FDBHQADWMAXRDO-CQSZACIVSA-N 0 0 343.427 2.374 40 0 EEABRN CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(N)cc3)[C@H]2C1 ZINC000096156972 463189486 /nfs/dbraw/zinc/18/94/86/463189486.db2.gz PNNXNVGUNUUUNJ-GBESFXJTSA-N 0 0 335.407 2.315 40 0 EEABRN Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccc(C)nc4)C[C@@H]3C2)cs1 ZINC000096161532 463191941 /nfs/dbraw/zinc/19/19/41/463191941.db2.gz WRUKTZGUVYLCGJ-IYBDPMFKSA-N 0 0 342.468 2.359 40 0 EEABRN O=C1CC[C@H]2[C@H](CCN2Cc2nccs2)N1Cc1cccnc1 ZINC000096186344 463197867 /nfs/dbraw/zinc/19/78/67/463197867.db2.gz ILQGFBIYOUTONR-GJZGRUSLSA-N 0 0 328.441 2.304 40 0 EEABRN c1csc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202245 463206930 /nfs/dbraw/zinc/20/69/30/463206930.db2.gz HLSLBECGMWSPCQ-KRWDZBQOSA-N 0 0 330.457 2.267 40 0 EEABRN O=C(CC1CC1)N1Cc2cncn2C[C@H](COCc2ccncc2)C1 ZINC000096206556 463208579 /nfs/dbraw/zinc/20/85/79/463208579.db2.gz IZBWAKHMKFHIHM-QGZVFWFLSA-N 0 0 340.427 2.253 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)cs1 ZINC000096208588 463212454 /nfs/dbraw/zinc/21/24/54/463212454.db2.gz ZERSPQPHKGUXDH-DOTOQJQBSA-N 0 0 347.484 2.221 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096216168 463215465 /nfs/dbraw/zinc/21/54/65/463215465.db2.gz LWHHPGWPVQNCNS-YJBOKZPZSA-N 0 0 343.383 2.050 40 0 EEABRN c1ccc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)nc1 ZINC000096220366 463217519 /nfs/dbraw/zinc/21/75/19/463217519.db2.gz LEDNBABZBDOXGB-MRXNPFEDSA-N 0 0 325.416 2.267 40 0 EEABRN O=C(C1CC=CC1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096223321 463219125 /nfs/dbraw/zinc/21/91/25/463219125.db2.gz JIBSZHXXFYCPMM-YJBOKZPZSA-N 0 0 346.406 2.144 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227196 463222177 /nfs/dbraw/zinc/22/21/77/463222177.db2.gz UTTRSFZPCMFCHB-YJBOKZPZSA-N 0 0 331.416 2.260 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096227500 463222436 /nfs/dbraw/zinc/22/24/36/463222436.db2.gz LVWWUYIMVAGPLR-PXNSSMCTSA-N 0 0 335.407 2.250 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096239253 463224473 /nfs/dbraw/zinc/22/44/73/463224473.db2.gz ZROVSWSMKLCCHP-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN Cc1nocc1C(=O)N1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1 ZINC000096245297 463225568 /nfs/dbraw/zinc/22/55/68/463225568.db2.gz UVNUZYJCKZPCIF-CVEARBPZSA-N 0 0 339.395 2.022 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccncc1)c1ccco1 ZINC000096250310 463226951 /nfs/dbraw/zinc/22/69/51/463226951.db2.gz FEMMUBDUJPRRRE-XYJFISCASA-N 0 0 341.411 2.084 40 0 EEABRN CO[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC000096408775 463241794 /nfs/dbraw/zinc/24/17/94/463241794.db2.gz YJZQBKHKIBLDAO-PEBXRYMYSA-N 0 0 326.462 2.221 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000096410035 463242771 /nfs/dbraw/zinc/24/27/71/463242771.db2.gz KFVYNYVYLQDVKN-CQSZACIVSA-N 0 0 345.422 2.315 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000096409026 463242864 /nfs/dbraw/zinc/24/28/64/463242864.db2.gz GLZHZXIZHGZCRI-LBPRGKRZSA-N 0 0 346.406 2.160 40 0 EEABRN C[S@](=O)c1cccc(NC(=O)NCCc2cn3ccccc3n2)c1 ZINC000096410691 463244235 /nfs/dbraw/zinc/24/42/35/463244235.db2.gz NGOFBNMFVLAKRM-XMMPIXPASA-N 0 0 342.424 2.436 40 0 EEABRN CN(C)c1nccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000096416577 463248269 /nfs/dbraw/zinc/24/82/69/463248269.db2.gz FBEOFKNVNKJISD-UHFFFAOYSA-N 0 0 345.834 2.158 40 0 EEABRN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccon2)CC1 ZINC000096419554 463250793 /nfs/dbraw/zinc/25/07/93/463250793.db2.gz CRDYSJHRRFMUDX-MRXNPFEDSA-N 0 0 349.818 2.360 40 0 EEABRN Cc1n[nH]cc1CCCNC(=O)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000096421694 463252967 /nfs/dbraw/zinc/25/29/67/463252967.db2.gz CSAFKXTZNKPZBM-KRWDZBQOSA-N 0 0 340.427 2.128 40 0 EEABRN CCc1ccc([C@H](COC)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000096423282 463253483 /nfs/dbraw/zinc/25/34/83/463253483.db2.gz BDWJOFMYKLAKBB-AWEZNQCLSA-N 0 0 329.356 2.129 40 0 EEABRN O=C(N[C@H](c1nccs1)C1CC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425547 463254852 /nfs/dbraw/zinc/25/48/52/463254852.db2.gz HNDULZQBACAHNF-KBPBESRZSA-N 0 0 333.457 2.359 40 0 EEABRN C[C@@H]1C[C@H]1[C@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1 ZINC000096426716 463256086 /nfs/dbraw/zinc/25/60/86/463256086.db2.gz JMNMONKAZWAHBC-DDHOLCJHSA-N 0 0 326.849 2.372 40 0 EEABRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000096426837 463256178 /nfs/dbraw/zinc/25/61/78/463256178.db2.gz IOJRAZMELMYPOZ-GFCCVEGCSA-N 0 0 346.818 2.355 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CNc2ccn(-c3ccccc3)n2)o1 ZINC000096427438 463257099 /nfs/dbraw/zinc/25/70/99/463257099.db2.gz MUONTITWNYVFGK-UHFFFAOYSA-N 0 0 346.412 2.328 40 0 EEABRN Cn1cc(CCCCNS(=O)(=O)c2cc(F)c(F)c(F)c2)cn1 ZINC000096427907 463257997 /nfs/dbraw/zinc/25/79/97/463257997.db2.gz ZRLMPKSDPHAISM-UHFFFAOYSA-N 0 0 347.362 2.139 40 0 EEABRN C[C@H](NS(=O)(=O)c1cccnc1)c1cccc(-n2ccnc2)c1 ZINC000096428717 463258414 /nfs/dbraw/zinc/25/84/14/463258414.db2.gz WOIANEFRVXGTET-ZDUSSCGKSA-N 0 0 328.397 2.307 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC000096429566 463258930 /nfs/dbraw/zinc/25/89/30/463258930.db2.gz LACFBNMAFSKVNC-LSDHHAIUSA-N 0 0 344.415 2.196 40 0 EEABRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(=O)[nH]n2)cc1 ZINC000096431935 463261170 /nfs/dbraw/zinc/26/11/70/463261170.db2.gz VPMJNLOXSWJGFO-MRXNPFEDSA-N 0 0 341.411 2.355 40 0 EEABRN COC(C)(C)C[C@H](C)NC(=O)Nc1cc(Br)c[nH]c1=O ZINC000096434313 463262609 /nfs/dbraw/zinc/26/26/09/463262609.db2.gz LRVKTKYTKDAVCQ-QMMMGPOBSA-N 0 0 346.225 2.463 40 0 EEABRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](O)c1ccsc1 ZINC000096437277 463264594 /nfs/dbraw/zinc/26/45/94/463264594.db2.gz YDGXPKKBXJDFDV-MRXNPFEDSA-N 0 0 345.399 2.465 40 0 EEABRN O=C(NC[C@@H](O)c1cccs1)c1cc(N2CCCC2=O)ccc1F ZINC000096437196 463264744 /nfs/dbraw/zinc/26/47/44/463264744.db2.gz VCGQLEYLLBUXOD-CQSZACIVSA-N 0 0 348.399 2.477 40 0 EEABRN Cc1ccccc1-c1c(I)cnn1CCO ZINC000096527434 463293651 /nfs/dbraw/zinc/29/36/51/463293651.db2.gz NPTSTIWBBYPBFG-UHFFFAOYSA-N 0 0 328.153 2.455 40 0 EEABRN CC[C@@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000096447856 463270666 /nfs/dbraw/zinc/27/06/66/463270666.db2.gz SVSNFHCNGJWXEY-DZGCQCFKSA-N 0 0 344.459 2.469 40 0 EEABRN Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3ncccn3)CC2)o1 ZINC000096454133 463274093 /nfs/dbraw/zinc/27/40/93/463274093.db2.gz AJNIYXQFMNKYDA-UHFFFAOYSA-N 0 0 328.372 2.177 40 0 EEABRN CC(=O)N[C@H]1CCCN(c2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000096453554 463274421 /nfs/dbraw/zinc/27/44/21/463274421.db2.gz AAXLYKZLWPVSNH-AWEZNQCLSA-N 0 0 329.404 2.360 40 0 EEABRN CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)[C@H](C)C(C)C ZINC000096460937 463276436 /nfs/dbraw/zinc/27/64/36/463276436.db2.gz HKSKIGILVYFYPK-LLVKDONJSA-N 0 0 330.450 2.345 40 0 EEABRN Cc1nc(CNC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)no1 ZINC000096477201 463279936 /nfs/dbraw/zinc/27/99/36/463279936.db2.gz OXEBISCDFLSFML-LLVKDONJSA-N 0 0 328.294 2.351 40 0 EEABRN Cc1c(C(=O)Nc2cncnc2N(C)C)cnn1-c1ccccc1F ZINC000096482577 463281450 /nfs/dbraw/zinc/28/14/50/463281450.db2.gz DPGTVKZGCVKRRG-UHFFFAOYSA-N 0 0 340.362 2.428 40 0 EEABRN O=C(c1cnns1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495824 463289104 /nfs/dbraw/zinc/28/91/04/463289104.db2.gz FIUPDMPKFCHUAS-GFCCVEGCSA-N 0 0 340.412 2.343 40 0 EEABRN O=C(NCC[C@H]1CCCCO1)NCc1ccc(-n2cncn2)cc1 ZINC000096500184 463290034 /nfs/dbraw/zinc/29/00/34/463290034.db2.gz JOBYTCZXCZUTGL-MRXNPFEDSA-N 0 0 329.404 2.026 40 0 EEABRN Cn1c(CCC(N)=O)nnc1SC[C@@H]1CCc2ccccc2C1 ZINC000096500742 463291423 /nfs/dbraw/zinc/29/14/23/463291423.db2.gz CUXMSFFRQBLVKK-GFCCVEGCSA-N 0 0 330.457 2.130 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(F)cc1 ZINC000096519750 463293948 /nfs/dbraw/zinc/29/39/48/463293948.db2.gz NEGCESDVBRFTTE-RKDXNWHRSA-N 0 0 331.590 2.191 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2F)on1 ZINC000097096070 463322757 /nfs/dbraw/zinc/32/27/57/463322757.db2.gz DMPBEWAPZOEJST-UHFFFAOYSA-N 0 0 349.181 2.363 40 0 EEABRN COc1c(CNc2nnc(Cc3ccccc3F)o2)c(C)nn1C ZINC000097231690 463351084 /nfs/dbraw/zinc/35/10/84/463351084.db2.gz VUKXNTXCKPUTFK-UHFFFAOYSA-N 0 0 331.351 2.462 40 0 EEABRN NC(=O)NCCCOC(=O)c1cccc(Br)c1Cl ZINC000097236124 463352561 /nfs/dbraw/zinc/35/25/61/463352561.db2.gz VGZFUBKAZYEEMX-UHFFFAOYSA-N 0 0 335.585 2.318 40 0 EEABRN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000071011225 463402113 /nfs/dbraw/zinc/40/21/13/463402113.db2.gz GRYYDDPEMMZCGF-UHFFFAOYSA-N 0 0 333.395 2.434 40 0 EEABRN Cc1ccn(CC(=O)N[C@@H]2CCCc3nc(-c4ccccn4)ncc32)n1 ZINC000071195919 463411292 /nfs/dbraw/zinc/41/12/92/463411292.db2.gz JAZOQWIRVBOTJD-OAHLLOKOSA-N 0 0 348.410 2.237 40 0 EEABRN Cn1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccccn4)ncc32)cn1 ZINC000071195917 463411456 /nfs/dbraw/zinc/41/14/56/463411456.db2.gz HAQDUNFYAJMSSC-OAHLLOKOSA-N 0 0 334.383 2.080 40 0 EEABRN COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(Cl)c1 ZINC000033797301 463425237 /nfs/dbraw/zinc/42/52/37/463425237.db2.gz XECOMCRSPPWRFR-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN C[C@@]1(C(=O)NCCc2ccccn2)Oc2ccc(Cl)cc2NC1=O ZINC000041548400 463493795 /nfs/dbraw/zinc/49/37/95/463493795.db2.gz XDYFULBPMPRIRE-KRWDZBQOSA-N 0 0 345.786 2.184 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000072334693 463509569 /nfs/dbraw/zinc/50/95/69/463509569.db2.gz ZGMPZACGSLANMX-CQSZACIVSA-N 0 0 332.429 2.068 40 0 EEABRN CNS(=O)(=O)CC(=O)N([C@H](C)c1cccc2ccccc21)C1CC1 ZINC000083600548 463552601 /nfs/dbraw/zinc/55/26/01/463552601.db2.gz JQYRBZNINIQEFB-CYBMUJFWSA-N 0 0 346.452 2.441 40 0 EEABRN COCCS(=O)(=O)Nc1c(F)cc(F)cc1Br ZINC000163372121 463583980 /nfs/dbraw/zinc/58/39/80/463583980.db2.gz SDLFBOFQBDRFES-UHFFFAOYSA-N 0 0 330.150 2.115 40 0 EEABRN CC(=O)N1CCN(C(=O)c2c(C)n(C(C)C)nc2C(F)(F)F)CC1 ZINC000044203927 463670379 /nfs/dbraw/zinc/67/03/79/463670379.db2.gz CETCQPHTDAMEBS-UHFFFAOYSA-N 0 0 346.353 2.096 40 0 EEABRN O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC000044442030 463678986 /nfs/dbraw/zinc/67/89/86/463678986.db2.gz DKXTXAVKXZWWAM-SEEARECTSA-N 0 0 340.427 2.232 40 0 EEABRN COc1cc(C(=O)NC2CCN(C(C)=O)CC2)ccc1OC(C)C ZINC000044869593 463697301 /nfs/dbraw/zinc/69/73/01/463697301.db2.gz QYVNMMOAKGTBKU-UHFFFAOYSA-N 0 0 334.416 2.223 40 0 EEABRN COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000152507799 463698968 /nfs/dbraw/zinc/69/89/68/463698968.db2.gz JBKRWUAEDYNVLW-DOMZBBRYSA-N 0 0 345.443 2.381 40 0 EEABRN CC(=O)N1CCN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000044893625 463699160 /nfs/dbraw/zinc/69/91/60/463699160.db2.gz NSCPRDMBBDYNDV-GORDUTHDSA-N 0 0 346.814 2.363 40 0 EEABRN CCCC[C@@H]1Oc2ccc(S(=O)(=O)NC(C)C)cc2NC1=O ZINC000257173089 463756939 /nfs/dbraw/zinc/75/69/39/463756939.db2.gz CHFZWVSXKAORNO-AWEZNQCLSA-N 0 0 326.418 2.263 40 0 EEABRN CCOc1ccc([C@H]2[C@H](C(=O)NCCOC)CCC(=O)N2CC)cc1 ZINC000257284868 463761064 /nfs/dbraw/zinc/76/10/64/463761064.db2.gz PERFAHBATGHQPJ-AEFFLSMTSA-N 0 0 348.443 2.148 40 0 EEABRN Cc1nc(CC(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cs1 ZINC000257295046 463766138 /nfs/dbraw/zinc/76/61/38/463766138.db2.gz QWRQCLQVMWBSCS-SJLPKXTDSA-N 0 0 346.452 2.425 40 0 EEABRN Cn1nccc1-c1cncc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257293225 463766462 /nfs/dbraw/zinc/76/64/62/463766462.db2.gz QOPYFIOPOQIUDC-ZDUSSCGKSA-N 0 0 327.432 2.314 40 0 EEABRN CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(F)c1 ZINC000257298468 463767162 /nfs/dbraw/zinc/76/71/62/463767162.db2.gz RLTQEWAGAVDLIE-GOSISDBHSA-N 0 0 328.391 2.195 40 0 EEABRN Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(OCC(=O)[O-])cc3)C2)n1 ZINC000257299207 463768527 /nfs/dbraw/zinc/76/85/27/463768527.db2.gz RPCXDGLKHVOJOT-OAHLLOKOSA-N 0 0 327.384 2.238 40 0 EEABRN Cc1c[nH]nc1C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000257314675 463775251 /nfs/dbraw/zinc/77/52/51/463775251.db2.gz UXZYKHTYMLKCDW-LBPRGKRZSA-N 0 0 325.459 2.423 40 0 EEABRN COc1cc(CCC(=O)N2CCC(Cc3ccncc3)CC2)on1 ZINC000257319317 463775993 /nfs/dbraw/zinc/77/59/93/463775993.db2.gz VRVJUSODCWJVBI-UHFFFAOYSA-N 0 0 329.400 2.492 40 0 EEABRN COc1cc(CCC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)on1 ZINC000257328990 463779249 /nfs/dbraw/zinc/77/92/49/463779249.db2.gz XHYBWHLAEYPVPC-CQSZACIVSA-N 0 0 344.415 2.138 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cccc(OC)c2)n1 ZINC000257328481 463779527 /nfs/dbraw/zinc/77/95/27/463779527.db2.gz XFUJUXWEWBZYFE-HNNXBMFYSA-N 0 0 342.399 2.049 40 0 EEABRN Cc1ccn(CCC(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000257332645 463780610 /nfs/dbraw/zinc/78/06/10/463780610.db2.gz XYCWJBFUZPDTMY-ZHALLVOQSA-N 0 0 343.427 2.059 40 0 EEABRN CC(C)c1nnsc1C(=O)N1CCC[C@H](Cc2nccnc2N)C1 ZINC000257332866 463781383 /nfs/dbraw/zinc/78/13/83/463781383.db2.gz XZBSKEQLHFDIPJ-LLVKDONJSA-N 0 0 346.460 2.129 40 0 EEABRN COc1ccc([C@H]2CCCCCN2C(=O)Cn2ncccc2=O)cc1 ZINC000195418124 464052443 /nfs/dbraw/zinc/05/24/43/464052443.db2.gz IFYFVMLROQBABG-QGZVFWFLSA-N 0 0 341.411 2.396 40 0 EEABRN C[C@@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000195561454 464077659 /nfs/dbraw/zinc/07/76/59/464077659.db2.gz MCKJLNNZRVHELH-BZUAXINKSA-N 0 0 341.459 2.422 40 0 EEABRN COc1cccc(Cl)c1CC(=O)NC[C@@H](C)N1CCOC[C@@H]1C ZINC000195565024 464078589 /nfs/dbraw/zinc/07/85/89/464078589.db2.gz AXGJTUGFZIWZSG-OLZOCXBDSA-N 0 0 340.851 2.117 40 0 EEABRN O=C(c1cnc(C2CC2)nc1)N1CCN(c2ccccc2F)CC1 ZINC000222598547 464131932 /nfs/dbraw/zinc/13/19/32/464131932.db2.gz ZUIYVALQFMZABJ-UHFFFAOYSA-N 0 0 326.375 2.456 40 0 EEABRN COc1ccc(C(=O)N2CCc3ccc(NS(C)(=O)=O)cc32)cc1 ZINC000222992897 464136046 /nfs/dbraw/zinc/13/60/46/464136046.db2.gz VZDDXASMOMIGRM-UHFFFAOYSA-N 0 0 346.408 2.270 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000223216602 464139142 /nfs/dbraw/zinc/13/91/42/464139142.db2.gz LOOPZUXKSSINRZ-GQCTYLIASA-N 0 0 344.411 2.192 40 0 EEABRN COc1ccccc1C(=O)NCc1nccc(N2CCCCC2)n1 ZINC000224158667 464148060 /nfs/dbraw/zinc/14/80/60/464148060.db2.gz FVMPGTFTHKZVGQ-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000224267349 464150259 /nfs/dbraw/zinc/15/02/59/464150259.db2.gz GWTMGEAWBFSWSA-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)NC[C@@](C)(O)c1cnn(C)c1 ZINC000225403249 464157458 /nfs/dbraw/zinc/15/74/58/464157458.db2.gz KAXHHVUWKWJCKR-MRXNPFEDSA-N 0 0 336.823 2.143 40 0 EEABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(C)CC1 ZINC000225437652 464159586 /nfs/dbraw/zinc/15/95/86/464159586.db2.gz NLIMIDYAEZPLRS-NSHDSACASA-N 0 0 349.818 2.436 40 0 biogenic,in-vitro EEABRN CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1 ZINC000225441679 464159929 /nfs/dbraw/zinc/15/99/29/464159929.db2.gz IXTAKLOAEHCOIN-UHFFFAOYSA-N 0 0 342.418 2.484 40 0 EEABRN Cc1cccc(CC(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)c1 ZINC000225444833 464161129 /nfs/dbraw/zinc/16/11/29/464161129.db2.gz CMPJINDSYRKODG-INIZCTEOSA-N 0 0 340.427 2.073 40 0 EEABRN OC[C@@H](CNc1cc(N2CCSCC2)ncn1)c1ccccc1 ZINC000225480684 464163488 /nfs/dbraw/zinc/16/34/88/464163488.db2.gz IMXKEEPKZHMOLM-OAHLLOKOSA-N 0 0 330.457 2.218 40 0 EEABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000225677463 464179151 /nfs/dbraw/zinc/17/91/51/464179151.db2.gz RYYXTFHHGCICQJ-SNVBAGLBSA-N 0 0 326.443 2.021 40 0 EEABRN COc1ccccc1COC1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000180289810 464282286 /nfs/dbraw/zinc/28/22/86/464282286.db2.gz CLDHPWMGRPGLSL-UHFFFAOYSA-N 0 0 329.400 2.250 40 0 EEABRN O=S(=O)(NC1(c2cccc(F)c2)CCOCC1)c1ccco1 ZINC000188732904 464354891 /nfs/dbraw/zinc/35/48/91/464354891.db2.gz YPOJTMPSFZTEAN-UHFFFAOYSA-N 0 0 325.361 2.403 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)NC[C@@H](C)N2CCOC[C@H]2C)s1 ZINC000245316701 464470412 /nfs/dbraw/zinc/47/04/12/464470412.db2.gz KFBGHFLQPKFCRM-NXEZZACHSA-N 0 0 348.415 2.497 40 0 EEABRN CC(=O)N1CCN(Cc2cccc(NCc3cncs3)c2)CC1 ZINC000189516908 464523892 /nfs/dbraw/zinc/52/38/92/464523892.db2.gz WOSQIJZXSBSUTA-UHFFFAOYSA-N 0 0 330.457 2.419 40 0 EEABRN Cc1nc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c[nH]1 ZINC000285774833 464691052 /nfs/dbraw/zinc/69/10/52/464691052.db2.gz SLAXXVSAIAYNIM-UHFFFAOYSA-N 0 0 349.232 2.443 40 0 EEABRN COCC[C@@H]1CCOC12CN(C(=O)COc1cccc(Cl)c1)C2 ZINC000247826265 464709025 /nfs/dbraw/zinc/70/90/25/464709025.db2.gz FYWDQNFAJMSQLO-CYBMUJFWSA-N 0 0 339.819 2.373 40 0 EEABRN COC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc3ccccc31)C2 ZINC000247848945 464709678 /nfs/dbraw/zinc/70/96/78/464709678.db2.gz NXPWLIOKESPNQR-KRWDZBQOSA-N 0 0 345.464 2.475 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@@H]3CCOc2ccccn2)no1 ZINC000247919986 464715018 /nfs/dbraw/zinc/71/50/18/464715018.db2.gz NQUJGXLRLGRWCB-HNNXBMFYSA-N 0 0 329.400 2.438 40 0 EEABRN O=C1c2ccccc2C(=O)N1CC[S@](=O)CCc1cccs1 ZINC000190793936 464721136 /nfs/dbraw/zinc/72/11/36/464721136.db2.gz PETLSFDTIKYRRU-JOCHJYFZSA-N 0 0 333.434 2.336 40 0 EEABRN Cc1nc(CN2CCO[C@H]3[C@H]2CC[C@H]3CNc2ncccn2)cs1 ZINC000248009080 464722939 /nfs/dbraw/zinc/72/29/39/464722939.db2.gz FRNRYICBDIWWME-NUEKZKHPSA-N 0 0 345.472 2.333 40 0 EEABRN COc1ccccc1CN1Cc2cncn2[C@H](CN2CCCC2=O)C1 ZINC000248143789 464734142 /nfs/dbraw/zinc/73/41/42/464734142.db2.gz RDWLORFQWWHRNH-KRWDZBQOSA-N 0 0 340.427 2.071 40 0 EEABRN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H](c2ccsc2)O1 ZINC000190937838 464748803 /nfs/dbraw/zinc/74/88/03/464748803.db2.gz FIWURYZEYXMBLC-GXSJLCMTSA-N 0 0 347.366 2.259 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNc2cc(N3CCOCC3)ncn2)c1 ZINC000282389690 464800397 /nfs/dbraw/zinc/80/03/97/464800397.db2.gz ZRBHMONTUBEEGI-MRXNPFEDSA-N 0 0 328.416 2.076 40 0 EEABRN Cc1ncc(CN2CC[C@H](C)S(=O)(=O)CC2)n1-c1ccccc1 ZINC000192049617 464856103 /nfs/dbraw/zinc/85/61/03/464856103.db2.gz SCQXJVBOTXSXKH-AWEZNQCLSA-N 0 0 333.457 2.190 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)cn1 ZINC000249680110 464902996 /nfs/dbraw/zinc/90/29/96/464902996.db2.gz AHEKEBFSRQYGLT-SFHVURJKSA-N 0 0 342.443 2.248 40 0 EEABRN Cc1noc(C)c1CN1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1 ZINC000251987215 464950141 /nfs/dbraw/zinc/95/01/41/464950141.db2.gz HUBWEDOYAPKIFU-INIZCTEOSA-N 0 0 342.443 2.251 40 0 EEABRN COc1cc(-c2noc([C@H]3COCCN3CC(F)(F)F)n2)ccn1 ZINC000252496641 464969416 /nfs/dbraw/zinc/96/94/16/464969416.db2.gz PNQJAQMSSCJBQP-SNVBAGLBSA-N 0 0 344.293 2.076 40 0 EEABRN CCN(C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192794993 464998946 /nfs/dbraw/zinc/99/89/46/464998946.db2.gz XUUCSMHPJFPHRR-OCCSQVGLSA-N 0 0 346.349 2.046 40 0 EEABRN CN(Cc1cc(Cl)cn1C)C(=O)c1cnc(C2OCCO2)s1 ZINC000253405373 465001834 /nfs/dbraw/zinc/00/18/34/465001834.db2.gz LFODALGSEBBLFE-UHFFFAOYSA-N 0 0 341.820 2.453 40 0 EEABRN C[C@H](O)c1c(C(=O)N2CCN(C)CC2)onc1-c1ccc(Cl)cc1 ZINC000253408590 465003405 /nfs/dbraw/zinc/00/34/05/465003405.db2.gz YGYFSTDMLPXIIC-NSHDSACASA-N 0 0 349.818 2.436 40 0 biogenic,in-vitro EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000253421312 465009207 /nfs/dbraw/zinc/00/92/07/465009207.db2.gz HTRTUXCJSVHYMJ-CXMBCZLWSA-N 0 0 346.406 2.446 40 0 EEABRN COc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)c(O)c1 ZINC000253424766 465010383 /nfs/dbraw/zinc/01/03/83/465010383.db2.gz KJGSEZLZAUJVAV-UHFFFAOYSA-N 0 0 348.786 2.214 40 0 EEABRN COc1ccc([C@H]2CCCN2c2nccn3cnnc23)c(OC)c1 ZINC000253430996 465013535 /nfs/dbraw/zinc/01/35/35/465013535.db2.gz PNJOWLHTOIGCLR-CQSZACIVSA-N 0 0 325.372 2.483 40 0 EEABRN O=C(CC1CC1)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000253432449 465014393 /nfs/dbraw/zinc/01/43/93/465014393.db2.gz ZPOIRHIEQPQGST-AWEZNQCLSA-N 0 0 342.317 2.385 40 0 EEABRN CC[C@@H](F)CCn1nc(C(=O)N[C@@H](C(N)=O)C(C)C)c2ccccc21 ZINC000299817300 465888167 /nfs/dbraw/zinc/88/81/67/465888167.db2.gz SNFDFYWXKBFWTO-IUODEOHRSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CCOc1c(I)cc(/C=C\C(N)=O)cc1OC ZINC000361633767 466165958 /nfs/dbraw/zinc/16/59/58/466165958.db2.gz CMKFKTHOWLWVQY-PLNGDYQASA-N 0 0 347.152 2.197 40 0 EEABRN C[C@@H]1CN(c2ccc(CNc3ncnc(N)c3Cl)cn2)C[C@H](C)O1 ZINC000302804220 466188523 /nfs/dbraw/zinc/18/85/23/466188523.db2.gz VVNXPSODMPFKPW-PHIMTYICSA-N 0 0 348.838 2.333 40 0 EEABRN CC(C)(C)CCCC(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000331831790 466262846 /nfs/dbraw/zinc/26/28/46/466262846.db2.gz KFEMVNIAQAVBEO-CQSZACIVSA-N 0 0 329.448 2.959 40 0 EEABRN CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2CCOCC1CC1 ZINC000306127957 466488257 /nfs/dbraw/zinc/48/82/57/466488257.db2.gz GLRRCZNSRXUSFK-CQSZACIVSA-N 0 0 334.416 2.285 40 0 EEABRN Fc1cnc(N2Cc3ccnn3[C@@H](CCOc3cccnc3)C2)nc1 ZINC000306141785 466493166 /nfs/dbraw/zinc/49/31/66/466493166.db2.gz WGKUHGWJLXWFAG-HNNXBMFYSA-N 0 0 340.362 2.238 40 0 EEABRN CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)C1(F)CCC1)C2 ZINC000306138660 466494590 /nfs/dbraw/zinc/49/45/90/466494590.db2.gz SDUCAQIUHXXBDY-OAHLLOKOSA-N 0 0 347.434 2.275 40 0 EEABRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cncc(F)c1 ZINC000332376439 466533318 /nfs/dbraw/zinc/53/33/18/466533318.db2.gz UBVMFAYGUGIJOD-BZNIZROVSA-N 0 0 336.388 2.233 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000408548673 466681553 /nfs/dbraw/zinc/68/15/53/466681553.db2.gz KYLBDOQKIONFAF-RIYZIHGNSA-N 0 0 346.383 2.193 40 0 EEABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000408587544 466682247 /nfs/dbraw/zinc/68/22/47/466682247.db2.gz DVQAXIBMHVUTML-GFCCVEGCSA-N 0 0 342.461 2.055 40 0 EEABRN CCOc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1Br ZINC000409195212 466686878 /nfs/dbraw/zinc/68/68/78/466686878.db2.gz UJCVXEOXIIYCJO-JXMROGBWSA-N 0 0 325.162 2.370 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000575404015 468142007 /nfs/dbraw/zinc/14/20/07/468142007.db2.gz LAFFROGXMKXESF-CQSZACIVSA-N 0 0 328.368 2.436 40 0 EEABRN Cc1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)nc(C2CC2)n1 ZINC000575608146 468147090 /nfs/dbraw/zinc/14/70/90/468147090.db2.gz MAIIRWZYSMPLJE-UHFFFAOYSA-N 0 0 336.443 2.268 40 0 EEABRN CCn1ccc2ccn(CCNC(=O)c3sc(C)nc3C)c(=O)c21 ZINC000575609018 468147416 /nfs/dbraw/zinc/14/74/16/468147416.db2.gz XKOMEVPPSGGQAE-UHFFFAOYSA-N 0 0 344.440 2.326 40 0 EEABRN c1coc(CN2Cc3ccnn3CC[C@@H]2COc2ncccn2)c1 ZINC000585097688 468965604 /nfs/dbraw/zinc/96/56/04/468965604.db2.gz PNOBVTNVJVPQIZ-OAHLLOKOSA-N 0 0 325.372 2.120 40 0 EEABRN Cc1ccccc1CN1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 ZINC000585098074 468967122 /nfs/dbraw/zinc/96/71/22/468967122.db2.gz TVTHJHHMYBGQLV-GOSISDBHSA-N 0 0 338.455 2.492 40 0 EEABRN Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)C1CC(F)C1)C2 ZINC000585110974 468974987 /nfs/dbraw/zinc/97/49/87/468974987.db2.gz MAGYMMCCOZKKQB-BLZCZZARSA-N 0 0 344.390 2.068 40 0 EEABRN Cc1cc(C)cc(CN2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)c1 ZINC000585112385 468975179 /nfs/dbraw/zinc/97/51/79/468975179.db2.gz PEQTXZQOVLLZDR-GOSISDBHSA-N 0 0 341.459 2.328 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)o1 ZINC000585112826 468975902 /nfs/dbraw/zinc/97/59/02/468975902.db2.gz XAWHBAIUNVOBLO-OAHLLOKOSA-N 0 0 328.416 2.258 40 0 EEABRN Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 ZINC000585141942 468991717 /nfs/dbraw/zinc/99/17/17/468991717.db2.gz JLGGDLHMIUHVLB-DLBZAZTESA-N 0 0 349.456 2.068 40 0 EEABRN Cc1cccc(CS(=O)(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c1 ZINC000585141945 468991789 /nfs/dbraw/zinc/99/17/89/468991789.db2.gz JLGGDLHMIUHVLB-SJORKVTESA-N 0 0 349.456 2.068 40 0 EEABRN CO[C@@]1(COc2cccc(F)c2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585275674 468999003 /nfs/dbraw/zinc/99/90/03/468999003.db2.gz DAMSQRCQYBXZIO-SFHVURJKSA-N 0 0 347.390 2.259 40 0 EEABRN O=C(COc1cccc(F)c1)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585273990 468999458 /nfs/dbraw/zinc/99/94/58/468999458.db2.gz XVNRWJIYFGPVES-IBGZPJMESA-N 0 0 345.370 2.247 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@@](O)(COc3cccc(C)c3)C2)c1C ZINC000585275542 468999469 /nfs/dbraw/zinc/99/94/69/468999469.db2.gz CPNVZOISCDGBPT-IBGZPJMESA-N 0 0 343.427 2.245 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)Cc2ccncc2)C1 ZINC000585276385 469001043 /nfs/dbraw/zinc/00/10/43/469001043.db2.gz JEBZQYOULRQRKX-HXUWFJFHSA-N 0 0 340.423 2.365 40 0 EEABRN CO[C@@]1(COc2ccccc2)COCCN(Cc2[nH]cnc2C)C1 ZINC000585277796 469003302 /nfs/dbraw/zinc/00/33/02/469003302.db2.gz XZSIJUAGOHJSOB-GOSISDBHSA-N 0 0 331.416 2.015 40 0 EEABRN O=C([O-])c1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000647156731 470844341 /nfs/dbraw/zinc/84/43/41/470844341.db2.gz OTYVOOAUOGTSQN-UHFFFAOYSA-N 0 0 346.427 2.150 40 0 EEABRN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000096461437 534468501 /nfs/dbraw/zinc/46/85/01/534468501.db2.gz OEWJCNHMFONXLB-WBVHZDCISA-N 0 0 347.463 2.012 40 0 EEABRN CC(=O)NCC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000188798833 526715833 /nfs/dbraw/zinc/71/58/33/526715833.db2.gz NYXYGQLTHXORTN-VIFPVBQESA-N 0 0 333.215 2.355 40 0 EEABRN CCOc1ccc(C(=O)N[C@H](C)CC)cc1S(=O)(=O)NC(C)C ZINC000408700131 528405980 /nfs/dbraw/zinc/40/59/80/528405980.db2.gz BDBCGJQYSIBCFQ-GFCCVEGCSA-N 0 0 342.461 2.300 40 0 EEABRN CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000253417683 535373999 /nfs/dbraw/zinc/37/39/99/535373999.db2.gz FSOOPDQLOSRSCO-HOTGVXAUSA-N 0 0 339.480 2.090 40 0 EEABRN CCC[C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947522 535642421 /nfs/dbraw/zinc/64/24/21/535642421.db2.gz WAXNSNMVENAWNK-FZMZJTMJSA-N 0 0 330.425 2.111 40 0 EEABRN CCn1cc(C(=O)N2CCC(c3ccnc4ccnn43)CC2)c(C)n1 ZINC000257226402 536024705 /nfs/dbraw/zinc/02/47/05/536024705.db2.gz FKNDQRDVTHANAZ-UHFFFAOYSA-N 0 0 338.415 2.274 40 0 EEABRN COc1ccccc1C(=O)N1CCC[C@H](Oc2ccc(C)nn2)C1 ZINC000225460694 536993596 /nfs/dbraw/zinc/99/35/96/536993596.db2.gz XWVMGVTXOXKZDK-AWEZNQCLSA-N 0 0 327.384 2.477 40 0 EEABRN O=C(CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)N1CCCC1 ZINC000205911684 564128857 /nfs/dbraw/zinc/12/88/57/564128857.db2.gz SWZLJGJKCZEVJI-SXUHSURCSA-N 0 0 332.381 2.495 40 0 EEABRN NC(=O)c1nccnc1N1CCC[C@@H]1c1cncc(Br)c1 ZINC000895704419 684690072 /nfs/dbraw/zinc/69/00/72/684690072.db2.gz MBPCXGHBNKIHLA-LLVKDONJSA-N 0 0 348.204 2.075 40 0 EEABRN CC(C)NC(=O)[C@@H]1CC(c2cnc(CCc3ccccc3)nc2)=NO1 ZINC000226081742 1193503396 /nfs/dbraw/zinc/50/33/96/1193503396.db2.gz PHLJGLFAEXZGIK-KRWDZBQOSA-N 0 0 338.411 2.279 40 0 EEABRN Cc1cn2c(nc(CN[C@@H](CO)c3ccccc3C)cc2=O)s1 ZINC001119804629 1309212828 /nfs/dbraw/zinc/21/28/28/1309212828.db2.gz OBQTUEGXCSAFFI-HNNXBMFYSA-N 0 0 329.425 2.196 40 0 EEABRN CCCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21 ZINC000006493388 1351804760 /nfs/dbraw/zinc/80/47/60/1351804760.db2.gz WHOOKOUWRAAYSR-UHFFFAOYSA-N 0 0 337.379 2.442 40 0 EEABRN CCCCS(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C ZINC000014238671 1352320209 /nfs/dbraw/zinc/32/02/09/1352320209.db2.gz ZBXSEZHHGNTBAU-UHFFFAOYSA-N 0 0 327.372 2.320 40 0 EEABRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1N ZINC000005242010 1351313159 /nfs/dbraw/zinc/31/31/59/1351313159.db2.gz HXHVVJJDFNVDKQ-UHFFFAOYSA-N 0 0 340.412 2.093 40 0 EEABRN Cc1cnc(OC(C)C)c(NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1 ZINC000931583471 1410292472 /nfs/dbraw/zinc/29/24/72/1410292472.db2.gz KAQCUYYDVPJNGC-UKRRQHHQSA-N 0 0 346.431 2.262 40 0 EEABRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000675047044 769072381 /nfs/dbraw/zinc/07/23/81/769072381.db2.gz GHFNHQMNGAEHBP-MRXNPFEDSA-N 0 0 346.427 2.460 40 0 EEABRN Cc1cccnc1CCNS(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000907225827 784472049 /nfs/dbraw/zinc/47/20/49/784472049.db2.gz TZWKKPDFDCVTRR-UHFFFAOYSA-N 0 0 348.472 2.302 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000097953799 219065238 /nfs/dbraw/zinc/06/52/38/219065238.db2.gz WTJXOGPHATZRFA-NUJGCVRESA-N 0 0 339.395 2.236 40 0 EEABRN CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 ZINC000098001792 219067289 /nfs/dbraw/zinc/06/72/89/219067289.db2.gz YMYNDFWLMLDYJU-YYRKOSNBSA-N 0 0 347.415 2.284 40 0 EEABRN C/C(=C\C(=O)N1CCN(Cc2noc(C)n2)CC1)c1cccc(F)c1 ZINC000098009990 219067860 /nfs/dbraw/zinc/06/78/60/219067860.db2.gz CXTXPRGJSSZOOM-JLHYYAGUSA-N 0 0 344.390 2.265 40 0 EEABRN C/C(=C\C(=O)N1CCS(=O)CC1)c1ccccc1OC(F)F ZINC000098019008 219070154 /nfs/dbraw/zinc/07/01/54/219070154.db2.gz UQTAVJBFRCVSMG-ZHACJKMWSA-N 0 0 329.368 2.282 40 0 EEABRN O=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1 ZINC000004411355 210189886 /nfs/dbraw/zinc/18/98/86/210189886.db2.gz FQMWBXGYDNOGOC-UHFFFAOYSA-N 0 0 336.457 2.437 40 0 aggregator EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000047188665 213835146 /nfs/dbraw/zinc/83/51/46/213835146.db2.gz GRQFNGIGNYKWPG-PBHICJAKSA-N 0 0 343.427 2.108 40 0 EEABRN Cn1c(=O)oc2ccc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)cc21 ZINC000257231248 282565693 /nfs/dbraw/zinc/56/56/93/282565693.db2.gz GFXUCJOJPJRHAP-ZDUSSCGKSA-N 0 0 326.356 2.222 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc[nH]n2)cc1C ZINC000068113388 215279667 /nfs/dbraw/zinc/27/96/67/215279667.db2.gz SFNYKKLEULEQJI-AWEZNQCLSA-N 0 0 330.413 2.180 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000069260771 215373797 /nfs/dbraw/zinc/37/37/97/215373797.db2.gz FBHBLURFPGWGSK-CYBMUJFWSA-N 0 0 338.415 2.475 40 0 EEABRN O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000181867520 234360270 /nfs/dbraw/zinc/36/02/70/234360270.db2.gz YBMJNGYHNHQHLG-UHFFFAOYSA-N 0 0 349.406 2.331 40 0 EEABRN Cc1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 ZINC000040326330 213292075 /nfs/dbraw/zinc/29/20/75/213292075.db2.gz WCIFFKGJQFZFRN-LBPRGKRZSA-N 0 0 336.438 2.035 40 0 EEABRN O=C(CSc1nnc(NC(=O)C2CC2)s1)NC1CCCCC1 ZINC000001381457 209732563 /nfs/dbraw/zinc/73/25/63/209732563.db2.gz IDTLQAKABCWMBQ-UHFFFAOYSA-N 0 0 340.474 2.428 40 0 EEABRN Cc1ccc(C(=O)N2CCOCC2)cc1NCc1c(Cl)cnn1C ZINC000187519758 236232628 /nfs/dbraw/zinc/23/26/28/236232628.db2.gz QFWZBNCUJBURMA-UHFFFAOYSA-N 0 0 348.834 2.466 40 0 EEABRN O=C(NCc1ccc(Cl)cc1F)N1CCN(c2cnccn2)CC1 ZINC000187641416 236267743 /nfs/dbraw/zinc/26/77/43/236267743.db2.gz HWJXEAFXJIFYBJ-UHFFFAOYSA-N 0 0 349.797 2.301 40 0 EEABRN CC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)c(=O)n1N ZINC000035682791 213046394 /nfs/dbraw/zinc/04/63/94/213046394.db2.gz CTULOWPSAYTXQN-UHFFFAOYSA-N 0 0 327.310 2.412 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241454 216080737 /nfs/dbraw/zinc/08/07/37/216080737.db2.gz KOGVJJGPWDBBDB-CVEARBPZSA-N 0 0 336.819 2.251 40 0 EEABRN O=C(CO)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359758 216165448 /nfs/dbraw/zinc/16/54/48/216165448.db2.gz LWUXARINDJBXOW-ZDUSSCGKSA-N 0 0 331.803 2.495 40 0 EEABRN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072360229 216165735 /nfs/dbraw/zinc/16/57/35/216165735.db2.gz QYIPRXALVGLQFR-CYBMUJFWSA-N 0 0 347.444 2.063 40 0 EEABRN OCCOCCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000072340285 216158537 /nfs/dbraw/zinc/15/85/37/216158537.db2.gz RTGRTLMJMZBYJF-UHFFFAOYSA-N 0 0 343.412 2.083 40 0 EEABRN CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072354398 216162548 /nfs/dbraw/zinc/16/25/48/216162548.db2.gz PFZZIMQPKTYCJK-OAHLLOKOSA-N 0 0 339.443 2.276 40 0 EEABRN Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(CC(N)=O)CC2)n1 ZINC000072361873 216168374 /nfs/dbraw/zinc/16/83/74/216168374.db2.gz GSDFOTUBBVWHGK-UHFFFAOYSA-N 0 0 344.390 2.381 40 0 EEABRN O=C(NCC1CC1)c1ccc([C@@H]2CCCN(c3ncccn3)C2)nc1 ZINC000072368927 216176193 /nfs/dbraw/zinc/17/61/93/216176193.db2.gz BDAUCDOFJNIURQ-MRXNPFEDSA-N 0 0 337.427 2.395 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2Cc2csc(C)n2)n1 ZINC000072387960 216188546 /nfs/dbraw/zinc/18/85/46/216188546.db2.gz GXUHLZMUPMGMFB-INIZCTEOSA-N 0 0 331.445 2.215 40 0 EEABRN CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)OC)C1=O ZINC000072396661 216192441 /nfs/dbraw/zinc/19/24/41/216192441.db2.gz TWKPHZPRSPZBQS-CYBMUJFWSA-N 0 0 343.335 2.188 40 0 EEABRN Cc1nnsc1C(=O)N1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108530087 219900881 /nfs/dbraw/zinc/90/08/81/219900881.db2.gz SIKGJLOSBCLXIT-UHFFFAOYSA-N 0 0 344.444 2.133 40 0 EEABRN CCN(CC(=O)NCc1nncn1C1CC1)Cc1ccc(Cl)cc1 ZINC000073111531 216350937 /nfs/dbraw/zinc/35/09/37/216350937.db2.gz PUHOYPBHISMOMJ-UHFFFAOYSA-N 0 0 347.850 2.405 40 0 EEABRN Cn1ccs/c1=N\C(=O)c1ccccc1I ZINC000023656812 212389034 /nfs/dbraw/zinc/38/90/34/212389034.db2.gz YTFHNSIQEJQFNO-QBFSEMIESA-N 0 0 344.177 2.432 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)n1 ZINC000194266564 240499451 /nfs/dbraw/zinc/49/94/51/240499451.db2.gz YRMAUZJOAHOZOB-NSHDSACASA-N 0 0 338.458 2.500 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000075391049 216615518 /nfs/dbraw/zinc/61/55/18/216615518.db2.gz KLJSUJKMXDVTOL-SECBINFHSA-N 0 0 349.287 2.333 40 0 EEABRN C[C@H](Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnccn1 ZINC000195552539 241001851 /nfs/dbraw/zinc/00/18/51/241001851.db2.gz CVCMDWNWVJWJIC-NSHDSACASA-N 0 0 336.392 2.329 40 0 EEABRN CC(C)(C)NC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 ZINC000225896649 242073413 /nfs/dbraw/zinc/07/34/13/242073413.db2.gz IQYPDCAVJOVBTN-UHFFFAOYSA-N 0 0 329.857 2.052 40 0 EEABRN Cc1cc(OC2CN(C(=O)c3ccsc3)C2)cc(=O)n1C1CC1 ZINC000240122700 242966743 /nfs/dbraw/zinc/96/67/43/242966743.db2.gz WHLJRYGKAZEZQJ-UHFFFAOYSA-N 0 0 330.409 2.457 40 0 EEABRN Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000020768317 212169973 /nfs/dbraw/zinc/16/99/73/212169973.db2.gz CEFYDNPQDWSTHU-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN COc1ccc(CC(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)cc1 ZINC000257204808 244131600 /nfs/dbraw/zinc/13/16/00/244131600.db2.gz AWISNQBJZMWNRA-SFHVURJKSA-N 0 0 341.411 2.245 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)[C@H]4CCCOC4)CC3)cc(C)n2n1 ZINC000257202611 244124180 /nfs/dbraw/zinc/12/41/80/244124180.db2.gz AMPGYZFTHYPSGZ-INIZCTEOSA-N 0 0 342.443 2.479 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)C=Cc3ccccc3)CCO2)n1 ZINC000257218697 244174492 /nfs/dbraw/zinc/17/44/92/244174492.db2.gz DEEBDBKVRHCXJM-KIUWMYQTSA-N 0 0 325.368 2.104 40 0 EEABRN O=C(c1cccnn1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257211199 244148574 /nfs/dbraw/zinc/14/85/74/244148574.db2.gz BXWICCLWWDDYTI-MRXNPFEDSA-N 0 0 348.406 2.356 40 0 EEABRN O=C(c1cncs1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257212432 244154420 /nfs/dbraw/zinc/15/44/20/244154420.db2.gz CDKGTCNGUZFAAO-NSHDSACASA-N 0 0 329.385 2.259 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076988934 216831004 /nfs/dbraw/zinc/83/10/04/216831004.db2.gz YWSCAOYVKHWNFC-XJKSGUPXSA-N 0 0 338.473 2.082 40 0 EEABRN Cc1cc(N2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)ncn1 ZINC000257216778 244169371 /nfs/dbraw/zinc/16/93/71/244169371.db2.gz CVZXXEYROLEDOT-INIZCTEOSA-N 0 0 325.416 2.193 40 0 EEABRN Cn1ccc(C(=O)N2CCC[C@H](c3ccc4sc(N)nc4n3)C2)n1 ZINC000257225441 244198526 /nfs/dbraw/zinc/19/85/26/244198526.db2.gz FGFCMAUZFXQWOV-JTQLQIEISA-N 0 0 342.428 2.027 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)c2cccnc2)CCN1C(C)=O ZINC000257234117 244223261 /nfs/dbraw/zinc/22/32/61/244223261.db2.gz GSEOVHQQUHKKLL-QGZVFWFLSA-N 0 0 339.395 2.136 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](Cc2ccnc(-c3nccs3)c2)C1 ZINC000257238299 244236385 /nfs/dbraw/zinc/23/63/85/244236385.db2.gz HKIZMDJCQLJNND-ZDUSSCGKSA-N 0 0 337.470 2.419 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cc(C)c(Cl)c(C)c2)[C@H]1O ZINC000257247836 244259852 /nfs/dbraw/zinc/25/98/52/244259852.db2.gz JATPVBOWVDGNMI-CKEIUWERSA-N 0 0 341.835 2.332 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cccn2C)n1 ZINC000257248453 244263049 /nfs/dbraw/zinc/26/30/49/244263049.db2.gz JDSYMDLNZFPDKC-MRXNPFEDSA-N 0 0 326.400 2.034 40 0 EEABRN CC(C)n1nccc1-c1ccc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 ZINC000257252414 244272692 /nfs/dbraw/zinc/27/26/92/244272692.db2.gz JUSBXSCTMDEQKI-OAHLLOKOSA-N 0 0 348.472 2.350 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnc(C)n1)C2 ZINC000257257325 244285551 /nfs/dbraw/zinc/28/55/51/244285551.db2.gz KPBDFBNTHPZPDL-LKCYJCQHSA-N 0 0 342.443 2.179 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257265419 244362255 /nfs/dbraw/zinc/36/22/55/244362255.db2.gz LYOSEDUYYHRGLS-SFHVURJKSA-N 0 0 347.378 2.147 40 0 EEABRN Cc1nc(C(=O)N2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)co1 ZINC000257267205 244362963 /nfs/dbraw/zinc/36/29/63/244362963.db2.gz MGJGLTHUQHRKQO-MRXNPFEDSA-N 0 0 342.399 2.027 40 0 EEABRN Cc1cc2cc(C(=O)N3CC[C@@H]4OCC(=O)N(C)[C@H]4CC3)ccc2o1 ZINC000257270919 244377082 /nfs/dbraw/zinc/37/70/82/244377082.db2.gz MWEPWYVHKKQQQB-RDJZCZTQSA-N 0 0 342.395 2.203 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3snnc3C(C)C)CCO2)n1 ZINC000257275591 244391091 /nfs/dbraw/zinc/39/10/91/244391091.db2.gz NPZBZYUZOFBGPF-LBPRGKRZSA-N 0 0 347.444 2.312 40 0 EEABRN C[C@@H](NC(=O)CC[C@]1(C)NC(=O)NC1=O)c1ccc2c(c1)CCCC2 ZINC000019458790 212029460 /nfs/dbraw/zinc/02/94/60/212029460.db2.gz YROSWNZMWFDGTL-BLVKFPJESA-N 0 0 343.427 2.121 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000078234668 217032434 /nfs/dbraw/zinc/03/24/34/217032434.db2.gz ZVGQSXWWOANQGT-UHFFFAOYSA-N 0 0 334.397 2.479 40 0 EEABRN CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H](C)CC2)CC1 ZINC000078468310 217056464 /nfs/dbraw/zinc/05/64/64/217056464.db2.gz BSBUGPOQJMSWFK-WLYUNCDWSA-N 0 0 330.494 2.133 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000078556375 217076354 /nfs/dbraw/zinc/07/63/54/217076354.db2.gz JWWUBIPOMQMMQX-KFWWJZLASA-N 0 0 339.457 2.101 40 0 EEABRN Cc1cc(NCc2cccnc2)c(C=O)c(=O)n1Cc1ccccn1 ZINC000016790067 211935455 /nfs/dbraw/zinc/93/54/55/211935455.db2.gz FINIMBRZMQQUCN-UHFFFAOYSA-N 0 0 334.379 2.420 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000078986037 217165331 /nfs/dbraw/zinc/16/53/31/217165331.db2.gz CJBOLQBELFMXPX-IUODEOHRSA-N 0 0 343.383 2.216 40 0 EEABRN Cc1cc(CC(=O)NCCOc2cccc3c2OC(C)(C)C3)no1 ZINC000079307643 217206374 /nfs/dbraw/zinc/20/63/74/217206374.db2.gz PZJMQOXNJYQTAE-UHFFFAOYSA-N 0 0 330.384 2.434 40 0 EEABRN Cc1ccc(C[C@H](NC(=O)CCS(C)(=O)=O)c2ccccn2)cc1 ZINC000079360587 217215051 /nfs/dbraw/zinc/21/50/51/217215051.db2.gz NFWKPNPGDCIKTF-KRWDZBQOSA-N 0 0 346.452 2.225 40 0 EEABRN Cc1ccc(NC(=O)Cn2cc(I)cn2)cc1 ZINC000079903806 217262984 /nfs/dbraw/zinc/26/29/84/217262984.db2.gz WBNJMSCNQMOARK-UHFFFAOYSA-N 0 0 341.152 2.435 40 0 EEABRN C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080026213 217273259 /nfs/dbraw/zinc/27/32/59/217273259.db2.gz PHKFWPBTRXHTGH-JTQLQIEISA-N 0 0 346.258 2.065 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000080695619 217326182 /nfs/dbraw/zinc/32/61/82/217326182.db2.gz SREBVILWCRRFBV-OLZOCXBDSA-N 0 0 338.477 2.368 40 0 EEABRN COC(=O)c1cc(N[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1C ZINC000081160450 217366173 /nfs/dbraw/zinc/36/61/73/217366173.db2.gz HOGPSTKBPCTOTA-GFCCVEGCSA-N 0 0 330.306 2.357 40 0 EEABRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 ZINC000081246004 217374570 /nfs/dbraw/zinc/37/45/70/217374570.db2.gz DYJLLDZJNNZSIV-OAHLLOKOSA-N 0 0 338.333 2.188 40 0 EEABRN C[C@H](C(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000084543256 217612841 /nfs/dbraw/zinc/61/28/41/217612841.db2.gz IIDIHCNQCDVCNO-ZDUSSCGKSA-N 0 0 348.468 2.387 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472542 217672233 /nfs/dbraw/zinc/67/22/33/217672233.db2.gz AHROYOFTHSBXBC-CFVMTHIKSA-N 0 0 336.457 2.170 40 0 EEABRN CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccccc3C)cc21 ZINC000265213324 247303282 /nfs/dbraw/zinc/30/32/82/247303282.db2.gz MPNQNZVFRMEPQC-UHFFFAOYSA-N 0 0 344.436 2.383 40 0 EEABRN CN(C(=O)[C@H]1COc2ccc(Br)cc21)c1ccnn1C ZINC000089916798 217881929 /nfs/dbraw/zinc/88/19/29/217881929.db2.gz XWISNBQKADIMOW-NSHDSACASA-N 0 0 336.189 2.322 40 0 EEABRN C[C@H](Cc1ccccn1)N(C)C(=O)COc1ncnc2ccccc21 ZINC000012290383 211333932 /nfs/dbraw/zinc/33/39/32/211333932.db2.gz GFNPPCUYIPBGTC-CQSZACIVSA-N 0 0 336.395 2.493 40 0 EEABRN Cc1cc(C)c(-n2cccn2)c(CN(C)[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000012188669 211314001 /nfs/dbraw/zinc/31/40/01/211314001.db2.gz NQXIQKNVGCRCCB-GOSISDBHSA-N 0 0 347.484 2.498 40 0 EEABRN Cc1noc(C)c1CCC(=O)NCCn1c2ccc(C)cc2oc1=O ZINC000012188679 211313176 /nfs/dbraw/zinc/31/31/76/211313176.db2.gz ALAQHYGZYQNGDF-UHFFFAOYSA-N 0 0 343.383 2.257 40 0 EEABRN Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@H]3C)nc12 ZINC000012182061 211312457 /nfs/dbraw/zinc/31/24/57/211312457.db2.gz SVLFMBNOOZPXKQ-CQSZACIVSA-N 0 0 338.411 2.359 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012222005 211323464 /nfs/dbraw/zinc/32/34/64/211323464.db2.gz CUUIXPCPFRHEAG-RDJZCZTQSA-N 0 0 331.460 2.060 40 0 EEABRN Cc1cc(C)n(CCc2nnc(NC(=O)[C@]3(C)CCCO3)s2)n1 ZINC000012203417 211320378 /nfs/dbraw/zinc/32/03/78/211320378.db2.gz AOBGQVMLUYKLST-HNNXBMFYSA-N 0 0 335.433 2.102 40 0 EEABRN C[C@H](c1cccc(F)c1)n1cc(C(=O)NCc2ccncc2)nn1 ZINC000012113275 211293568 /nfs/dbraw/zinc/29/35/68/211293568.db2.gz UBBMTKQOLVAFMX-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN O=C(CCN1Cc2ccccc2C1=O)NCCN1CCc2ccccc21 ZINC000012148419 211307385 /nfs/dbraw/zinc/30/73/85/211307385.db2.gz AXZUPPUNHFANCU-UHFFFAOYSA-N 0 0 349.434 2.211 40 0 EEABRN C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCCn2ccnc2)nn1 ZINC000012113277 211292241 /nfs/dbraw/zinc/29/22/41/211292241.db2.gz XHUIGZULNHELRQ-CYBMUJFWSA-N 0 0 342.378 2.043 40 0 EEABRN C[C@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000091427601 218004328 /nfs/dbraw/zinc/00/43/28/218004328.db2.gz GVXVLWXZQSKSPW-GZMMTYOYSA-N 0 0 338.351 2.332 40 0 EEABRN O=C1C[C@@H](c2ccccc2)N(Cc2ncn(-c3ccccc3)n2)CCN1 ZINC000092795543 218168752 /nfs/dbraw/zinc/16/87/52/218168752.db2.gz IPMXJQAXEZDLJV-SFHVURJKSA-N 0 0 347.422 2.331 40 0 EEABRN Cc1[nH]c(C(=O)N2CCC[C@@H]2C2CCCC2)c(C)c1S(N)(=O)=O ZINC000095418258 218357825 /nfs/dbraw/zinc/35/78/25/218357825.db2.gz WLUBOKNFXYLEIV-CYBMUJFWSA-N 0 0 339.461 2.074 40 0 EEABRN CC[C@H](O)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449952 218394030 /nfs/dbraw/zinc/39/40/30/218394030.db2.gz OGOTZCSWJSVETQ-VBNZEHGJSA-N 0 0 341.402 2.170 40 0 EEABRN COCCn1cc(NC(=O)c2nc3ccccc3s2)ccc1=O ZINC000095452332 218396358 /nfs/dbraw/zinc/39/63/58/218396358.db2.gz VPNQQZTUFWJXFA-UHFFFAOYSA-N 0 0 329.381 2.357 40 0 EEABRN CN1Cc2ccccc2CC2(CCN(C(=O)c3ccno3)CC2)C1=O ZINC000096080010 218579776 /nfs/dbraw/zinc/57/97/76/218579776.db2.gz OVKRRAUIQQHWSF-UHFFFAOYSA-N 0 0 339.395 2.112 40 0 EEABRN Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCCC2 ZINC000096099136 218592293 /nfs/dbraw/zinc/59/22/93/218592293.db2.gz FGJYTHJZGLEXSA-UHFFFAOYSA-N 0 0 337.379 2.335 40 0 EEABRN Cc1ccc(N2CCC[C@]3(C2)COCCN(c2ccccn2)C3)nn1 ZINC000096229048 218705158 /nfs/dbraw/zinc/70/51/58/218705158.db2.gz DRGNBGJFBUKTKT-LJQANCHMSA-N 0 0 339.443 2.303 40 0 EEABRN Cn1ccnc1CN1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 ZINC000096250840 218722344 /nfs/dbraw/zinc/72/23/44/218722344.db2.gz LCWPVGHTFOAFQZ-KBAYOESNSA-N 0 0 342.443 2.011 40 0 EEABRN COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccs3)C2)cc1 ZINC000096377801 218746699 /nfs/dbraw/zinc/74/66/99/218746699.db2.gz YGHLYRGGZTZGEG-UHFFFAOYSA-N 0 0 337.422 2.055 40 0 EEABRN CCN(CCO)C(=O)[C@@H]1CC(=O)N(CC)[C@H]1c1ccccc1Cl ZINC000257256540 284965147 /nfs/dbraw/zinc/96/51/47/284965147.db2.gz KLXRCFKQXQTVRL-CJNGLKHVSA-N 0 0 338.835 2.090 40 0 EEABRN O=C(NN1CCOCC1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096421654 218787485 /nfs/dbraw/zinc/78/74/85/218787485.db2.gz WQKWCSQDUKFUNS-RYUDHWBXSA-N 0 0 330.306 2.052 40 0 EEABRN C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccccc2)no1 ZINC000096422233 218788945 /nfs/dbraw/zinc/78/89/45/218788945.db2.gz PSZVFXUIROQTMD-NSHDSACASA-N 0 0 326.443 2.499 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000096425170 218793797 /nfs/dbraw/zinc/79/37/97/218793797.db2.gz VXDGLUWLSBKQLB-LBPRGKRZSA-N 0 0 341.390 2.473 40 0 EEABRN Cc1ccc(C)c([C@H]2CN(C(=O)c3nccnc3N)[C@H](C)CO2)c1 ZINC000096426739 218797136 /nfs/dbraw/zinc/79/71/36/218797136.db2.gz UCRCWHDOGMDQLL-UKRRQHHQSA-N 0 0 326.400 2.278 40 0 EEABRN O=C(NCc1nc(-c2cccs2)n[nH]1)[C@H]1Cc2cccc(F)c2O1 ZINC000096426461 218797197 /nfs/dbraw/zinc/79/71/97/218797197.db2.gz HYXDTOLCZOJHEM-LLVKDONJSA-N 0 0 344.371 2.292 40 0 EEABRN Cc1cc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)no1 ZINC000096430694 218804203 /nfs/dbraw/zinc/80/42/03/218804203.db2.gz JVUWJXRPBCJEHY-MRXNPFEDSA-N 0 0 327.384 2.099 40 0 EEABRN Cc1nc2cc(NC(=O)[C@H](C(C)C)N3CCCC3=O)ccc2n1C ZINC000096432953 218808402 /nfs/dbraw/zinc/80/84/02/218808402.db2.gz WBHBQFNMRGMCAX-KRWDZBQOSA-N 0 0 328.416 2.467 40 0 EEABRN CC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000096451367 218834162 /nfs/dbraw/zinc/83/41/62/218834162.db2.gz YSKCQDKQQGMFGL-AWEZNQCLSA-N 0 0 330.475 2.309 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000096459695 218843140 /nfs/dbraw/zinc/84/31/40/218843140.db2.gz HZAUUVPRDLSCLI-OAHLLOKOSA-N 0 0 344.864 2.237 40 0 EEABRN Cc1cnc(CCNS(=O)(=O)c2ccc(C)c(N(C)C)c2)s1 ZINC000096472724 218850661 /nfs/dbraw/zinc/85/06/61/218850661.db2.gz NDEBLBSMCWMILQ-UHFFFAOYSA-N 0 0 339.486 2.347 40 0 EEABRN O=C(NCCC(=O)N1CCCC1)NCCc1c(F)cccc1Cl ZINC000096473319 218851200 /nfs/dbraw/zinc/85/12/00/218851200.db2.gz WNKQZRKAMNHCMK-UHFFFAOYSA-N 0 0 341.814 2.333 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(OC)c1)CC(=O)N2 ZINC000004944394 210333933 /nfs/dbraw/zinc/33/39/33/210333933.db2.gz PYJUBMVAOYVRKA-SECBINFHSA-N 0 0 347.396 2.070 40 0 EEABRN COc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1OCCO ZINC000281480108 257987083 /nfs/dbraw/zinc/98/70/83/257987083.db2.gz GTKSXXSNQWSAFO-GFCCVEGCSA-N 0 0 345.399 2.486 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CCCC[C@H]3C2)C1 ZINC000245316815 258000115 /nfs/dbraw/zinc/00/01/15/258000115.db2.gz KPJMPVNWSZCBOQ-ZQDZILKHSA-N 0 0 328.478 2.174 40 0 EEABRN COc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000113936011 533613276 /nfs/dbraw/zinc/61/32/76/533613276.db2.gz VLNJJPUYBIGFJH-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN O=C(NCc1cccc(N2CCOCC2)n1)c1cc(F)ccc1F ZINC000274748634 135634031 /nfs/dbraw/zinc/63/40/31/135634031.db2.gz GYOXQUADORLMSH-UHFFFAOYSA-N 0 0 333.338 2.126 40 0 EEABRN O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177637340 140849430 /nfs/dbraw/zinc/84/94/30/140849430.db2.gz OWRJTFSEQIZXQY-CYBMUJFWSA-N 0 0 339.399 2.002 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F ZINC000057355073 286069999 /nfs/dbraw/zinc/06/99/99/286069999.db2.gz RRYIBSQQDUEECS-YOEHRIQHSA-N 0 0 336.407 2.278 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218596479 286181139 /nfs/dbraw/zinc/18/11/39/286181139.db2.gz NIFZYICKKJILOA-YDHLFZDLSA-N 0 0 345.461 2.035 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)[S@](=O)[C@@H](C)C3)cc2)n1 ZINC000408341482 167781487 /nfs/dbraw/zinc/78/14/87/167781487.db2.gz RINYMZAQJZDDSO-UWQZQLALSA-N 0 0 345.468 2.471 40 0 EEABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=NN)sc2c1 ZINC000216775197 287278659 /nfs/dbraw/zinc/27/86/59/287278659.db2.gz UHTGNPYFWYUKIS-SECBINFHSA-N 0 0 326.447 2.145 40 0 EEABRN CC(C)n1nc(Cn2cccn2)c2c1CN(C(=O)c1ccco1)C2 ZINC000096259168 276088502 /nfs/dbraw/zinc/08/85/02/276088502.db2.gz MOJOEXBBYGWNTC-UHFFFAOYSA-N 0 0 325.372 2.458 40 0 EEABRN COCCn1ccc(C(=O)N2Cc3ccccc3N(C)C[C@H]2C)n1 ZINC000187851392 277243063 /nfs/dbraw/zinc/24/30/63/277243063.db2.gz BIEUGPQBRWURBN-CQSZACIVSA-N 0 0 328.416 2.010 40 0 EEABRN CC(C)C(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O ZINC000257318247 278670190 /nfs/dbraw/zinc/67/01/90/278670190.db2.gz VNBXAVKVRPMLRY-SJORKVTESA-N 0 0 344.455 2.216 40 0 EEABRN Cc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)NC(C)C)C2 ZINC000096260870 278894296 /nfs/dbraw/zinc/89/42/96/278894296.db2.gz MTFBXBDIVVWXKJ-UHFFFAOYSA-N 0 0 342.447 2.027 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)N1c3ccccc3C[C@H]1C)CS2 ZINC000085473682 279023282 /nfs/dbraw/zinc/02/32/82/279023282.db2.gz LDACMVOCEGEXKQ-OCCSQVGLSA-N 0 0 341.436 2.251 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041819 279368555 /nfs/dbraw/zinc/36/85/55/279368555.db2.gz DACCCVGWPCEHOO-CGTJXYLNSA-N 0 0 341.411 2.009 40 0 EEABRN NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766638 279664759 /nfs/dbraw/zinc/66/47/59/279664759.db2.gz RTZQSTSMUGEIIT-UHFFFAOYSA-N 0 0 334.372 2.066 40 0 EEABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CC1(C)C ZINC000154286103 289267801 /nfs/dbraw/zinc/26/78/01/289267801.db2.gz SZVKFWVJVXSRAM-AWEZNQCLSA-N 0 0 336.457 2.262 40 0 EEABRN COc1ccccc1-c1c2c(nc3nc(N)[nH]c(=O)c31)CCCC2=O ZINC000020673636 295344183 /nfs/dbraw/zinc/34/41/83/295344183.db2.gz DIOSUYXNPPYEGC-UHFFFAOYSA-N 0 0 336.351 2.095 40 0 EEABRN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCN1C(=O)NC(C)(C)C1=O ZINC000195530146 297163900 /nfs/dbraw/zinc/16/39/00/297163900.db2.gz BLBQPMBRBUGGPC-IIAWOOMASA-N 0 0 345.443 2.167 40 0 EEABRN C[S@](=O)CC[C@@H]1C(=O)O[C@@H](C(C)(C)C)N1C(=O)c1ccccc1 ZINC000005714676 300886414 /nfs/dbraw/zinc/88/64/14/300886414.db2.gz ZVOJFNZMAQFTHI-PPWXJAPKSA-N 0 0 337.441 2.195 40 0 EEABRN Cc1cc(C)c(N2CC[C@@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)c(C)c1 ZINC000253429824 301184189 /nfs/dbraw/zinc/18/41/89/301184189.db2.gz DJQYENVTVAGVPT-HUUCEWRRSA-N 0 0 341.411 2.144 40 0 EEABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1C ZINC000223610671 301777307 /nfs/dbraw/zinc/77/73/07/301777307.db2.gz RHJMWAZRZNLNII-JKSUJKDBSA-N 0 0 330.457 2.083 40 0 EEABRN Cc1ccsc1C(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214988 302300465 /nfs/dbraw/zinc/30/04/65/302300465.db2.gz JEWONAFPZCJCOC-HNNXBMFYSA-N 0 0 342.486 2.087 40 0 EEABRN CN(C)C(=O)N1CCC(C(=O)NCc2cnc3ccccc3c2)CC1 ZINC000332434922 312006874 /nfs/dbraw/zinc/00/68/74/312006874.db2.gz GIVFSCCDQUDOBV-UHFFFAOYSA-N 0 0 340.427 2.245 40 0 EEABRN O=C(NCc1nc(CO)cs1)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000530264662 317706777 /nfs/dbraw/zinc/70/67/77/317706777.db2.gz CBULOADAZRSBOY-GFCCVEGCSA-N 0 0 340.351 2.352 40 0 EEABRN Cc1cccc(S(=O)(=O)CCCN2CCC[C@H](C)[C@@H]2CO)c1 ZINC000097094682 323320613 /nfs/dbraw/zinc/32/06/13/323320613.db2.gz IPMFSBGUBGMPGA-RDJZCZTQSA-N 0 0 325.474 2.252 40 0 EEABRN CC[C@H]1CCCCCN1C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000097237787 323321078 /nfs/dbraw/zinc/32/10/78/323321078.db2.gz XHKLRQCZYDHBIF-AWEZNQCLSA-N 0 0 329.404 2.466 40 0 EEABRN CC(C)(C)OC(=O)[C@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000156548342 323333104 /nfs/dbraw/zinc/33/31/04/323333104.db2.gz PFZIYKWQPCKKSJ-ZFWWWQNUSA-N 0 0 336.407 2.406 40 0 EEABRN CCc1cnccc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000190499664 323469009 /nfs/dbraw/zinc/46/90/09/323469009.db2.gz ZNSLPFLXHUSULF-UHFFFAOYSA-N 0 0 349.438 2.478 40 0 EEABRN CN1CCC(=O)Nc2cc(C(=O)Nc3cc(C4CC4)[nH]n3)ccc21 ZINC000488545715 447848516 /nfs/dbraw/zinc/84/85/16/447848516.db2.gz OTXPSMDWMXIZJB-UHFFFAOYSA-N 0 0 325.372 2.318 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNC(=O)NCCc2nc(C(C)C)no2)c1 ZINC000252489240 464964634 /nfs/dbraw/zinc/96/46/34/464964634.db2.gz JMELFUNTWUGHIL-OAHLLOKOSA-N 0 0 346.431 2.385 40 0 EEABRN C[C@H](CNC(=O)N1CCC=C(Br)C1)CC1(C)OCCO1 ZINC000252489182 464964927 /nfs/dbraw/zinc/96/49/27/464964927.db2.gz JIZJWPQSMRWWJH-NSHDSACASA-N 0 0 347.253 2.470 40 0 EEABRN O=S(=O)(c1ccc2ncsc2c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000296355701 465167539 /nfs/dbraw/zinc/16/75/39/465167539.db2.gz WKFNGDYQUAVWID-LBPRGKRZSA-N 0 0 349.441 2.330 40 0 EEABRN CC(C)N1CC[C@H](NC(=O)Nc2cc(-c3ccccc3)on2)C1=O ZINC000085607032 462555535 /nfs/dbraw/zinc/55/55/35/462555535.db2.gz VYLHSWDWSIGRPZ-ZDUSSCGKSA-N 0 0 328.372 2.472 40 0 EEABRN Cn1c2ccccc2c2nnc(SCC(=O)N3CCCC3)nc21 ZINC000000417662 462559904 /nfs/dbraw/zinc/55/99/04/462559904.db2.gz JTSGVJFYXFKVEH-UHFFFAOYSA-N 0 0 327.413 2.231 40 0 EEABRN COc1ccc(-c2noc(=O)n2CC(=O)Nc2ccccc2C)cc1 ZINC000001332586 462579224 /nfs/dbraw/zinc/57/92/24/462579224.db2.gz GXSRVZWAXHWXIC-UHFFFAOYSA-N 0 0 339.351 2.459 40 0 EEABRN CCCc1nnc(SCC(=O)N(CC)CC)n1C[C@@H]1CCCO1 ZINC000001355857 462579810 /nfs/dbraw/zinc/57/98/10/462579810.db2.gz KZYCHOCSMCMLMF-ZDUSSCGKSA-N 0 0 340.493 2.370 40 0 EEABRN COc1cc(C(=O)c2cc3c(cc2C=O)OCO3)cc(OC)c1OC ZINC000001687149 462585719 /nfs/dbraw/zinc/58/57/19/462585719.db2.gz YSAAXPPIIQRXEC-UHFFFAOYSA-N 0 0 344.319 2.485 40 0 EEABRN CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1N ZINC000005555189 462663030 /nfs/dbraw/zinc/66/30/30/462663030.db2.gz ZATCHKJNSLMCFB-UHFFFAOYSA-N 0 0 325.825 2.329 40 0 EEABRN CNC(=S)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000005986062 462673853 /nfs/dbraw/zinc/67/38/53/462673853.db2.gz KUODFILRIPNRHW-UHFFFAOYSA-N 0 0 338.436 2.430 40 0 EEABRN COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OC(C)C ZINC000006345608 462683276 /nfs/dbraw/zinc/68/32/76/462683276.db2.gz MHHXHSOGVFOVLH-WMZJFQQLSA-N 0 0 337.763 2.238 40 0 EEABRN COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000006426931 462685619 /nfs/dbraw/zinc/68/56/19/462685619.db2.gz VGDKSFFXDCAYOZ-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN Cc1ccc(N2C[C@@H](C(=O)NCc3cnn4ccccc34)CC2=O)cc1 ZINC000075162799 462689696 /nfs/dbraw/zinc/68/96/96/462689696.db2.gz ZKQMAGRNEGBTCW-HNNXBMFYSA-N 0 0 348.406 2.312 40 0 EEABRN COc1cccc(CCNC(=O)c2ccc(N3CCCCC3)nn2)c1 ZINC000075172662 462691060 /nfs/dbraw/zinc/69/10/60/462691060.db2.gz UJZVJDSAAASSJQ-UHFFFAOYSA-N 0 0 340.427 2.448 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1 ZINC000006680371 462696738 /nfs/dbraw/zinc/69/67/38/462696738.db2.gz YEWWKIDLBOQMAY-UHFFFAOYSA-N 0 0 325.415 2.036 40 0 EEABRN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000007306305 462729109 /nfs/dbraw/zinc/72/91/09/462729109.db2.gz UAOMCQZQAZSJOS-MRXNPFEDSA-N 0 0 347.392 2.124 40 0 EEABRN O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCOC[C@@H]1C1CC1 ZINC000089890155 462735049 /nfs/dbraw/zinc/73/50/49/462735049.db2.gz JNYRGTIORGDMNE-GOSISDBHSA-N 0 0 340.427 2.252 40 0 EEABRN O=C1Nc2ccc(-c3ccc(F)cc3F)cc2C(=O)N2C[C@H](O)C[C@@H]12 ZINC000008297183 462777221 /nfs/dbraw/zinc/77/72/21/462777221.db2.gz VGSTVQQACNDKSV-BZNIZROVSA-N 0 0 344.317 2.159 40 0 biogenic,in-vitro EEABRN CC(=O)c1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1 ZINC000047414147 462779698 /nfs/dbraw/zinc/77/96/98/462779698.db2.gz LIJLZYLDDBQEQD-UHFFFAOYSA-N 0 0 327.349 2.421 40 0 EEABRN CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000008475735 462784276 /nfs/dbraw/zinc/78/42/76/462784276.db2.gz MHGWJWCYKVEHEB-UHFFFAOYSA-N 0 0 340.445 2.056 40 0 EEABRN Cc1cccc(-c2nc(C(=O)NCCO)nn2-c2cccc(C)c2)c1 ZINC000008476925 462785861 /nfs/dbraw/zinc/78/58/61/462785861.db2.gz BMUPVWKVMRHRKY-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN CC(C)(C)c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C[C@H]1CCOC1)CC3 ZINC000012142918 462844864 /nfs/dbraw/zinc/84/48/64/462844864.db2.gz HENZTYJVNDRYDU-GFCCVEGCSA-N 0 0 330.432 2.127 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000012144648 462844911 /nfs/dbraw/zinc/84/49/11/462844911.db2.gz OXWNALPZIOPRKP-UHFFFAOYSA-N 0 0 349.394 2.402 40 0 EEABRN COCCNC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCOCC1 ZINC000012157490 462845455 /nfs/dbraw/zinc/84/54/55/462845455.db2.gz LGNLOPJZEPGGKX-INIZCTEOSA-N 0 0 346.427 2.129 40 0 EEABRN CC[C@H]1c2cccn2CCN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC000132391243 462853460 /nfs/dbraw/zinc/85/34/60/462853460.db2.gz VHAOXULNDZKGJW-KRWDZBQOSA-N 0 0 340.427 2.327 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F ZINC000048230629 462876617 /nfs/dbraw/zinc/87/66/17/462876617.db2.gz NGJXVUSCCWSMRY-VIFPVBQESA-N 0 0 335.360 2.035 40 0 EEABRN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cscn2)c1 ZINC000076996363 462933650 /nfs/dbraw/zinc/93/36/50/462933650.db2.gz XPRLSRYHAIYCER-UHFFFAOYSA-N 0 0 344.845 2.173 40 0 EEABRN CN(Cc1cccc(C(N)=O)c1)c1nnc(Br)s1 ZINC000077192777 462949292 /nfs/dbraw/zinc/94/92/92/462949292.db2.gz XSKRGMFANXPGKJ-UHFFFAOYSA-N 0 0 327.207 2.036 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3cc(C)cc(C)c3)c(=O)c2cc1OC ZINC000015424557 462952635 /nfs/dbraw/zinc/95/26/35/462952635.db2.gz PADLLEOZDUPSSQ-UHFFFAOYSA-N 0 0 340.383 2.305 40 0 EEABRN Cc1nn(CC(=O)NCc2ccc(C)cc2)c(=S)n1-n1cccc1 ZINC000016777886 462989414 /nfs/dbraw/zinc/98/94/14/462989414.db2.gz ALTGNOSDUGQPSB-UHFFFAOYSA-N 0 0 341.440 2.460 40 0 EEABRN CC(=O)N1CCC[C@H](c2nnc(-c3ccc(N4CCCC4)nc3)o2)C1 ZINC000019017142 463012693 /nfs/dbraw/zinc/01/26/93/463012693.db2.gz QMDXXSSKGZLWTG-HNNXBMFYSA-N 0 0 341.415 2.458 40 0 EEABRN CCc1nc(C)cc(N2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)n1 ZINC000019523136 463017112 /nfs/dbraw/zinc/01/71/12/463017112.db2.gz VFNUCBIJTHBIIQ-OWCLPIDISA-N 0 0 326.444 2.208 40 0 EEABRN CC[C@H](C)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000022241559 463046850 /nfs/dbraw/zinc/04/68/50/463046850.db2.gz ZZPYDASUHPMGNE-INIZCTEOSA-N 0 0 334.460 2.417 40 0 EEABRN O=C(/C=C/c1ccco1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000024081670 463077596 /nfs/dbraw/zinc/07/75/96/463077596.db2.gz PSZVNUKDWRDSFJ-GQCTYLIASA-N 0 0 340.379 2.366 40 0 EEABRN O=C(c1cccc(Br)c1)N1CCC2(CC1)OCCO2 ZINC000024994735 463105022 /nfs/dbraw/zinc/10/50/22/463105022.db2.gz FKAAVAKMRBGPCT-UHFFFAOYSA-N 0 0 326.190 2.428 40 0 EEABRN O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1COc2ccccc2C1=O ZINC000135362450 463147910 /nfs/dbraw/zinc/14/79/10/463147910.db2.gz IEQNLGNNQGWIPW-WMZOPIPTSA-N 0 0 337.375 2.451 40 0 EEABRN O=C(c1cscn1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042210 463148249 /nfs/dbraw/zinc/14/82/49/463148249.db2.gz YXQADYAYACMCEK-HRCADAONSA-N 0 0 345.424 2.127 40 0 EEABRN Cn1cnc2c1[C@H](COCC1CC1)CN(C(=O)c1cscn1)C2 ZINC000096044914 463148622 /nfs/dbraw/zinc/14/86/22/463148622.db2.gz UCIWDQBZSDYZGX-LBPRGKRZSA-N 0 0 332.429 2.043 40 0 EEABRN O=C(c1ccccn1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050746 463154837 /nfs/dbraw/zinc/15/48/37/463154837.db2.gz ZWGRUFIROMBUOB-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN Cc1occc1C(=O)N1CCn2c(Cn3cccn3)cnc2[C@@H]1C ZINC000096062052 463161657 /nfs/dbraw/zinc/16/16/57/463161657.db2.gz LRKWRFLXDAKAQS-LBPRGKRZSA-N 0 0 325.372 2.246 40 0 EEABRN CS(=O)(=O)N1CCC2(CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000096071761 463166316 /nfs/dbraw/zinc/16/63/16/463166316.db2.gz QQLWPOFPKCNECZ-UHFFFAOYSA-N 0 0 342.486 2.026 40 0 EEABRN Cc1ccc(N2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)nn1 ZINC000096073234 463166935 /nfs/dbraw/zinc/16/69/35/463166935.db2.gz MJXFXMPOYWOQGW-INIZCTEOSA-N 0 0 326.400 2.387 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cs1 ZINC000096072771 463167770 /nfs/dbraw/zinc/16/77/70/463167770.db2.gz WKEZOGKALAKHEZ-YOEHRIQHSA-N 0 0 345.472 2.395 40 0 EEABRN Cc1cccc(CN2CCO[C@@H]3[C@@H](CNc4ncccn4)CC[C@H]32)n1 ZINC000096082549 463171119 /nfs/dbraw/zinc/17/11/19/463171119.db2.gz CBBGPGBYXJSGGN-KBAYOESNSA-N 0 0 339.443 2.272 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ncncc2C)CC1 ZINC000096096706 463171874 /nfs/dbraw/zinc/17/18/74/463171874.db2.gz MSKHVNAPOACSTB-UHFFFAOYSA-N 0 0 346.818 2.409 40 0 EEABRN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000096103415 463174208 /nfs/dbraw/zinc/17/42/08/463174208.db2.gz NAAYFFIRKCDABB-HNNXBMFYSA-N 0 0 348.468 2.456 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(C)o1 ZINC000096109053 463176622 /nfs/dbraw/zinc/17/66/22/463176622.db2.gz DWXOAHKNVMMDSX-BEFAXECRSA-N 0 0 342.395 2.459 40 0 EEABRN Cc1nc(-c2noc3ccc(C(=O)N4CCN(C)CC4)cc32)co1 ZINC000096154388 463188943 /nfs/dbraw/zinc/18/89/43/463188943.db2.gz USTNKASIIMUGTN-UHFFFAOYSA-N 0 0 326.356 2.179 40 0 EEABRN C[C@]1(C(=O)NCCCn2cccn2)CC(c2ccccc2F)=NO1 ZINC000096192647 463201061 /nfs/dbraw/zinc/20/10/61/463201061.db2.gz OBMQTVBLQOJOQC-QGZVFWFLSA-N 0 0 330.363 2.112 40 0 EEABRN C[C@@]1(C(=O)NCCCn2ccnc2)CC(c2cccc(F)c2)=NO1 ZINC000096193001 463201506 /nfs/dbraw/zinc/20/15/06/463201506.db2.gz VIFRBSVKJSEQIG-KRWDZBQOSA-N 0 0 330.363 2.112 40 0 EEABRN Cn1ccnc1CN1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096200160 463205457 /nfs/dbraw/zinc/20/54/57/463205457.db2.gz OMMOMQRWIKYVEF-ZWKOTPCHSA-N 0 0 326.444 2.427 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@]2(C1)CCCN(c1ccccn1)C2 ZINC000096216819 463215322 /nfs/dbraw/zinc/21/53/22/463215322.db2.gz BRGIHUOVXUPKEP-LJQANCHMSA-N 0 0 329.444 2.327 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096219020 463216755 /nfs/dbraw/zinc/21/67/55/463216755.db2.gz YOFPDBJLMYWYKV-RDTXWAMCSA-N 0 0 348.468 2.443 40 0 EEABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000028207205 463219322 /nfs/dbraw/zinc/21/93/22/463219322.db2.gz MAMQRSIBIUCHOT-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)c1 ZINC000096229711 463222918 /nfs/dbraw/zinc/22/29/18/463222918.db2.gz CTMUVSYPPFTLEE-LJQANCHMSA-N 0 0 330.428 2.241 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)c1 ZINC000096229710 463223709 /nfs/dbraw/zinc/22/37/09/463223709.db2.gz CTMUVSYPPFTLEE-IBGZPJMESA-N 0 0 330.428 2.241 40 0 EEABRN CS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000096239547 463224727 /nfs/dbraw/zinc/22/47/27/463224727.db2.gz RIBSQUFGYSYSHT-CQSZACIVSA-N 0 0 330.400 2.184 40 0 EEABRN O=C(NC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096239588 463224915 /nfs/dbraw/zinc/22/49/15/463224915.db2.gz ZJAJKNZARRGMBW-MRXNPFEDSA-N 0 0 336.386 2.491 40 0 EEABRN O=C(c1ccccc1)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240894 463225608 /nfs/dbraw/zinc/22/56/08/463225608.db2.gz HRVCNQBOGVYDNU-KRWDZBQOSA-N 0 0 342.439 2.178 40 0 EEABRN Cc1ccc(CN2CCc3nc(N4CCOCC4)nc(C)c3C2)o1 ZINC000096253859 463228745 /nfs/dbraw/zinc/22/87/45/463228745.db2.gz BBQAOPRZFMTDGF-UHFFFAOYSA-N 0 0 328.416 2.081 40 0 EEABRN CCN(CC)Cc1nc2c(o1)CN(S(=O)(=O)c1cccs1)C2 ZINC000096260260 463230186 /nfs/dbraw/zinc/23/01/86/463230186.db2.gz JTQSSQHGEMBQPX-UHFFFAOYSA-N 0 0 341.458 2.282 40 0 EEABRN COCCN(C)C(=O)c1nc2c(s1)CCCN2c1ccc(C)nn1 ZINC000096264641 463231056 /nfs/dbraw/zinc/23/10/56/463231056.db2.gz ITKFAUMOURJXSZ-UHFFFAOYSA-N 0 0 347.444 2.044 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(c4ncccn4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261681 463231414 /nfs/dbraw/zinc/23/14/14/463231414.db2.gz AUIYVEGNAUPLQQ-ZRGWGRIASA-N 0 0 341.459 2.368 40 0 EEABRN CN(C)c1ncc(-c2cc(C(=O)NC3CC3)n(CC3CC3)c2)cn1 ZINC000096266402 463231584 /nfs/dbraw/zinc/23/15/84/463231584.db2.gz YKXUZRBIKNSTII-UHFFFAOYSA-N 0 0 325.416 2.313 40 0 EEABRN COc1ccc(S(=O)(=O)C2CN(C(=O)[C@@H]3CC=CCC3)C2)cc1 ZINC000096377890 463236921 /nfs/dbraw/zinc/23/69/21/463236921.db2.gz RGBCRURJVHSFRN-CYBMUJFWSA-N 0 0 335.425 2.036 40 0 EEABRN Cc1ccccc1[C@@H](O)CNC(=O)NC1CCN(CC(F)F)CC1 ZINC000096405748 463239047 /nfs/dbraw/zinc/23/90/47/463239047.db2.gz UUDVNUIZILZAKA-HNNXBMFYSA-N 0 0 341.402 2.057 40 0 EEABRN NC(=O)c1csc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000096407597 463240573 /nfs/dbraw/zinc/24/05/73/463240573.db2.gz JCRFKHRDNGJRHH-CYBMUJFWSA-N 0 0 347.415 2.385 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)NCC[C@@H]3CCCO3)CC2)n1 ZINC000096408755 463241314 /nfs/dbraw/zinc/24/13/14/463241314.db2.gz OLMHTMODNYKRKB-INIZCTEOSA-N 0 0 332.448 2.227 40 0 EEABRN CN(C)C(=O)N1CCC(C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000096417056 463249142 /nfs/dbraw/zinc/24/91/42/463249142.db2.gz UOEVBMCORAYYTI-UHFFFAOYSA-N 0 0 343.427 2.485 40 0 EEABRN Cc1ccccc1CNC(=O)CN1CCC(OC2CCOCC2)CC1 ZINC000096417437 463249592 /nfs/dbraw/zinc/24/95/92/463249592.db2.gz BCTZNLKESQGCSK-UHFFFAOYSA-N 0 0 346.471 2.271 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000096419953 463251669 /nfs/dbraw/zinc/25/16/69/463251669.db2.gz UAEYWZXHLCGGAZ-CHWSQXEVSA-N 0 0 338.370 2.414 40 0 EEABRN Cc1ccc2cccc(C(=O)N[C@@H](C)CCN3CCOCC3)c2n1 ZINC000096420826 463252090 /nfs/dbraw/zinc/25/20/90/463252090.db2.gz CZLHFOWALGBOAU-HNNXBMFYSA-N 0 0 327.428 2.384 40 0 EEABRN CO[C@H](CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1 ZINC000096428736 463258261 /nfs/dbraw/zinc/25/82/61/463258261.db2.gz NBMCZDQNKXPRJR-CQSZACIVSA-N 0 0 331.397 2.229 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)n1C ZINC000096430455 463259899 /nfs/dbraw/zinc/25/98/99/463259899.db2.gz IASCQJTZPHDOFA-SFHVURJKSA-N 0 0 339.439 2.449 40 0 EEABRN C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000096431022 463260514 /nfs/dbraw/zinc/26/05/14/463260514.db2.gz VYWXVFLVOBIOEY-OCCSQVGLSA-N 0 0 327.421 2.088 40 0 EEABRN C[S@@](=O)CCNC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000096434527 463261814 /nfs/dbraw/zinc/26/18/14/463261814.db2.gz SFFXCKWHAKTRKU-QFIPXVFZSA-N 0 0 327.425 2.316 40 0 EEABRN Cc1noc(CCCNC(=O)c2cc(C)ccc2-n2ccnc2)n1 ZINC000096436319 463263112 /nfs/dbraw/zinc/26/31/12/463263112.db2.gz CSPRTNUAWNQXQO-UHFFFAOYSA-N 0 0 325.372 2.235 40 0 EEABRN Cc1cc(CN[C@H](C(N)=O)c2ccc(Br)cc2F)no1 ZINC000096437016 463264668 /nfs/dbraw/zinc/26/46/68/463264668.db2.gz QQVZMTHKNJDQKO-LBPRGKRZSA-N 0 0 342.168 2.201 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3ccccn32)C12CCCC2 ZINC000096437543 463265701 /nfs/dbraw/zinc/26/57/01/463265701.db2.gz ISTLZDMBERKZRA-ZIAGYGMSSA-N 0 0 343.431 2.266 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000096439826 463265815 /nfs/dbraw/zinc/26/58/15/463265815.db2.gz RRUUXKOFPJBHCX-RYUDHWBXSA-N 0 0 337.811 2.087 40 0 EEABRN CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000096437533 463265902 /nfs/dbraw/zinc/26/59/02/463265902.db2.gz KZGZYUROMDDDKA-HZPDHXFCSA-N 0 0 345.472 2.410 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCCc2c1cnn2C ZINC000096439280 463266206 /nfs/dbraw/zinc/26/62/06/463266206.db2.gz FYDJAWOQLSMZHF-AWEZNQCLSA-N 0 0 330.436 2.149 40 0 EEABRN C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1nccn1C(F)F ZINC000096443504 463268621 /nfs/dbraw/zinc/26/86/21/463268621.db2.gz AMDUDFSFLKBJMI-LLVKDONJSA-N 0 0 333.346 2.447 40 0 EEABRN C[S@](=O)C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 ZINC000096445445 463269349 /nfs/dbraw/zinc/26/93/49/463269349.db2.gz GHSCHIFAKWOCPC-IQMFZBJNSA-N 0 0 331.441 2.138 40 0 EEABRN CC[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)c1nc(C(F)(F)F)cs1 ZINC000096443889 463269524 /nfs/dbraw/zinc/26/95/24/463269524.db2.gz DVBJXHJNHRVPEC-NKWVEPMBSA-N 0 0 344.380 2.162 40 0 EEABRN C[C@@](NC(=O)c1ccccn1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454565 463274670 /nfs/dbraw/zinc/27/46/70/463274670.db2.gz GEBCFNYLWSQSMA-HNNXBMFYSA-N 0 0 337.301 2.231 40 0 EEABRN CC(C)C1CCC(N2CCN(CCCS(C)(=O)=O)CC2)CC1 ZINC000096460860 463277013 /nfs/dbraw/zinc/27/70/13/463277013.db2.gz CMXNCOCJENHOBE-UHFFFAOYSA-N 0 0 330.538 2.254 40 0 EEABRN O=C(NCc1nnc2ccccn21)N1CCO[C@@H](c2ccsc2)C1 ZINC000096466979 463277724 /nfs/dbraw/zinc/27/77/24/463277724.db2.gz CJXVJWUBYWHARR-CYBMUJFWSA-N 0 0 343.412 2.074 40 0 EEABRN Cc1cc(Cn2cc(I)cc(C)c2=O)on1 ZINC000096485186 463283903 /nfs/dbraw/zinc/28/39/03/463283903.db2.gz CNNDBVZJVMTDEI-UHFFFAOYSA-N 0 0 330.125 2.106 40 0 EEABRN O=S(=O)(Cc1nccn1CC(F)(F)F)CC1(O)CCCCC1 ZINC000096493619 463287831 /nfs/dbraw/zinc/28/78/31/463287831.db2.gz XZWBNZLFCOBRDI-UHFFFAOYSA-N 0 0 340.367 2.055 40 0 EEABRN Cn1cc(CNC(=O)N[C@H]2CCCC[C@@H]2O)c(-c2ccccc2)n1 ZINC000096501412 463291262 /nfs/dbraw/zinc/29/12/62/463291262.db2.gz CBOYRPNSPKXRPK-HOTGVXAUSA-N 0 0 328.416 2.190 40 0 EEABRN CC[C@@](Br)([C@H](O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096521584 463293861 /nfs/dbraw/zinc/29/38/61/463293861.db2.gz CRMOLTFIFJKDMV-NEPJUHHUSA-N 0 0 337.235 2.274 40 0 EEABRN O=S(=O)(NCCc1ccc(CO)cc1)c1c(F)cccc1Cl ZINC000097380090 463358371 /nfs/dbraw/zinc/35/83/71/463358371.db2.gz XSCDIPFKDWPLDR-UHFFFAOYSA-N 0 0 343.807 2.492 40 0 EEABRN CCOC(=O)c1cc(N)c(Sc2nnc(CC)n2N)c(Cl)c1 ZINC000070462540 463376527 /nfs/dbraw/zinc/37/65/27/463376527.db2.gz YUQNKJIFBDQFPV-UHFFFAOYSA-N 0 0 341.824 2.118 40 0 EEABRN O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000071905124 463466208 /nfs/dbraw/zinc/46/62/08/463466208.db2.gz TUOIHQGASZVWDB-ZDUSSCGKSA-N 0 0 338.429 2.317 40 0 EEABRN CCn1cnnc1CCNc1ccccc1S(=O)(=O)C(F)(F)F ZINC000071911581 463469709 /nfs/dbraw/zinc/46/97/09/463469709.db2.gz MKZAACBOLJSQEQ-UHFFFAOYSA-N 0 0 348.350 2.246 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000041184819 463472041 /nfs/dbraw/zinc/47/20/41/463472041.db2.gz WWJRZOMCRSOASS-UHFFFAOYSA-N 0 0 348.834 2.487 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3cccc(C)c3)no2)CC1 ZINC000041184402 463472197 /nfs/dbraw/zinc/47/21/97/463472197.db2.gz NRQZYISQDUOVQZ-UHFFFAOYSA-N 0 0 328.416 2.142 40 0 EEABRN O=C1CN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCN1 ZINC000057281513 463474199 /nfs/dbraw/zinc/47/41/99/463474199.db2.gz KCDSNFVKQRBLBP-UHFFFAOYSA-N 0 0 332.407 2.471 40 0 EEABRN Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000041616222 463497317 /nfs/dbraw/zinc/49/73/17/463497317.db2.gz LLLTZXXTCUJOJV-UHFFFAOYSA-N 0 0 329.385 2.080 40 0 EEABRN Cc1cc(CN2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@@H]3C2)no1 ZINC000107717725 463579831 /nfs/dbraw/zinc/57/98/31/463579831.db2.gz BHRQXKPFNYGYHR-CGTJXYLNSA-N 0 0 347.459 2.221 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCc2ccccn2)c(Br)c1 ZINC000042646408 463582842 /nfs/dbraw/zinc/58/28/42/463582842.db2.gz QVCYBNFPRYOAFL-UHFFFAOYSA-N 0 0 348.200 2.407 40 0 EEABRN COCCN(CC(F)F)S(=O)(=O)c1cc(C)c(F)cc1F ZINC000084674225 463622308 /nfs/dbraw/zinc/62/23/08/463622308.db2.gz FXWJCWVTOXCFQW-UHFFFAOYSA-N 0 0 329.315 2.175 40 0 EEABRN CCN(CC)C(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000058930740 463633143 /nfs/dbraw/zinc/63/31/43/463633143.db2.gz VQWUFFVLPUATNP-UHFFFAOYSA-N 0 0 348.443 2.424 40 0 EEABRN Cc1cccnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000073633235 463636793 /nfs/dbraw/zinc/63/67/93/463636793.db2.gz WPZOCKCJKACKED-UHFFFAOYSA-N 0 0 331.441 2.291 40 0 EEABRN O=C(CSc1nccc(=O)[nH]1)Nc1nnc(-c2ccccc2)s1 ZINC000059942088 463646503 /nfs/dbraw/zinc/64/65/03/463646503.db2.gz GHQSLBJPASNHLX-UHFFFAOYSA-N 0 0 345.409 2.432 40 0 EEABRN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1COc2ccccc2O1 ZINC000043996096 463665101 /nfs/dbraw/zinc/66/51/01/463665101.db2.gz YQTMYOWVKZHQBZ-OAHLLOKOSA-N 0 0 337.335 2.193 40 0 EEABRN Cc1nc(COc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)no1 ZINC000044894191 463699082 /nfs/dbraw/zinc/69/90/82/463699082.db2.gz CTSPOGNXJZPJKX-RYUDHWBXSA-N 0 0 331.372 2.206 40 0 EEABRN Cc1cccc(OCCNC(=O)c2cn(Cc3ccccc3)nn2)c1 ZINC000044896324 463699705 /nfs/dbraw/zinc/69/97/05/463699705.db2.gz UOOKEHLZYBTUFF-UHFFFAOYSA-N 0 0 336.395 2.444 40 0 EEABRN CO[C@@H]1CCCOC12CC[NH+](Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000257281937 463760172 /nfs/dbraw/zinc/76/01/72/463760172.db2.gz OROIAPVRLPVWRU-QGZVFWFLSA-N 0 0 349.427 2.310 40 0 EEABRN CCCn1nccc1-c1cc([C@@H]2CCCN2S(C)(=O)=O)nc(C)n1 ZINC000257283388 463761827 /nfs/dbraw/zinc/76/18/27/463761827.db2.gz OYCHWVLVLGYULM-INIZCTEOSA-N 0 0 349.460 2.155 40 0 EEABRN Cc1ccc(CN2C(=O)C[C@@]23COCCN(C(=O)C2CCC2)C3)cc1 ZINC000257305425 463770868 /nfs/dbraw/zinc/77/08/68/463770868.db2.gz SPYLTDAZYWXNCH-HXUWFJFHSA-N 0 0 342.439 2.125 40 0 EEABRN CC(=O)N1CCN(C(=O)CCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000257318131 463774803 /nfs/dbraw/zinc/77/48/03/463774803.db2.gz VMPRQDUDHUGKSP-GOSISDBHSA-N 0 0 340.427 2.095 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CC(Cc3nccc4ccn(C)c43)C2)n1 ZINC000257321670 463778175 /nfs/dbraw/zinc/77/81/75/463778175.db2.gz WCRXOHZDHWFFFF-UHFFFAOYSA-N 0 0 337.427 2.088 40 0 EEABRN Cc1cc(C)nc(NCCC(=O)N2CCC3(CC2)CC=CCOC3)n1 ZINC000257324873 463778596 /nfs/dbraw/zinc/77/85/96/463778596.db2.gz WQNULTCZEDAMLZ-UHFFFAOYSA-N 0 0 344.459 2.481 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@H](c3ccncn3)C2)n1 ZINC000257323724 463778602 /nfs/dbraw/zinc/77/86/02/463778602.db2.gz WLPIIUYGWSICQG-ZDUSSCGKSA-N 0 0 329.404 2.322 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)c1 ZINC000257338407 463784403 /nfs/dbraw/zinc/78/44/03/463784403.db2.gz YXGRZXSHRHXHIZ-GFCCVEGCSA-N 0 0 343.383 2.219 40 0 EEABRN COc1ccc(C(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)cn1 ZINC000257336714 463784463 /nfs/dbraw/zinc/78/44/63/463784463.db2.gz YPRZEQBAMJPAQG-HNNXBMFYSA-N 0 0 326.400 2.192 40 0 EEABRN Cc1nc([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)cc(=O)[nH]1 ZINC000257342806 463787896 /nfs/dbraw/zinc/78/78/96/463787896.db2.gz ZQFZZGOUQGPGCL-INIZCTEOSA-N 0 0 345.374 2.162 40 0 EEABRN COc1cccc(CC(=O)N2CCCC[C@H]3CN(C(C)=O)CC[C@H]32)c1 ZINC000257343828 463788019 /nfs/dbraw/zinc/78/80/19/463788019.db2.gz ZUPCMXYSZYMUJA-PKOBYXMFSA-N 0 0 344.455 2.487 40 0 EEABRN COc1cc(NC2CCN(C(=O)c3cn(C)cn3)CC2)cc(OC)c1 ZINC000179076858 464051601 /nfs/dbraw/zinc/05/16/01/464051601.db2.gz WYDUZIWRZIQOMS-UHFFFAOYSA-N 0 0 344.415 2.154 40 0 EEABRN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1COCCN1 ZINC000195543072 464073019 /nfs/dbraw/zinc/07/30/19/464073019.db2.gz OJFXAZMHSOKNRW-PFOHLQBCSA-N 0 0 348.446 2.388 40 0 EEABRN CN(C[C@H]1CCCCO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000195547385 464074163 /nfs/dbraw/zinc/07/41/63/464074163.db2.gz WJWRUEHCUVIAMN-ZIAGYGMSSA-N 0 0 341.249 2.476 40 0 EEABRN Cc1ccc([C@@H]2CCCN2C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1C ZINC000195555699 464076264 /nfs/dbraw/zinc/07/62/64/464076264.db2.gz BLGRIDCVSTWMDE-FHLIZLRMSA-N 0 0 344.455 2.243 40 0 EEABRN Cn1cnc2cc(C(=O)OC3CCN(CC(F)(F)F)CC3)cnc21 ZINC000195577028 464080164 /nfs/dbraw/zinc/08/01/64/464080164.db2.gz ZEWLOECMZDFZOC-UHFFFAOYSA-N 0 0 342.321 2.152 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000195580617 464082377 /nfs/dbraw/zinc/08/23/77/464082377.db2.gz LOFCDUSEPWBPDH-KDOFPFPSSA-N 0 0 348.468 2.023 40 0 EEABRN CCNS(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000172449457 464082903 /nfs/dbraw/zinc/08/29/03/464082903.db2.gz DWQPPOQZHYKRFJ-UHFFFAOYSA-N 0 0 330.837 2.089 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)NC[C@H](C)c1c(C)noc1C)CC2 ZINC000269797525 464098508 /nfs/dbraw/zinc/09/85/08/464098508.db2.gz CBVADWIOVBJYSN-FZMZJTMJSA-N 0 0 349.431 2.380 40 0 EEABRN COc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000222406002 464130127 /nfs/dbraw/zinc/13/01/27/464130127.db2.gz DROKXFRKPNJKAA-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222974153 464136231 /nfs/dbraw/zinc/13/62/31/464136231.db2.gz VIRIJKHERNAUNY-CQSZACIVSA-N 0 0 341.411 2.144 40 0 EEABRN Cc1ccc(NC(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000224180453 464148886 /nfs/dbraw/zinc/14/88/86/464148886.db2.gz LTMHSZGAFGZHTJ-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN Cc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1C ZINC000224219748 464150071 /nfs/dbraw/zinc/15/00/71/464150071.db2.gz UIZJWWGIPTVEJK-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN Cc1cccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 ZINC000224298978 464150241 /nfs/dbraw/zinc/15/02/41/464150241.db2.gz YXKMSXYVUXKGGW-UHFFFAOYSA-N 0 0 326.400 2.491 40 0 EEABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCOCC1 ZINC000224467038 464151799 /nfs/dbraw/zinc/15/17/99/464151799.db2.gz JXFASMMJOVLWST-MRXNPFEDSA-N 0 0 346.471 2.171 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 ZINC000224938961 464152507 /nfs/dbraw/zinc/15/25/07/464152507.db2.gz IOUDKFZJMSNIDS-UHFFFAOYSA-N 0 0 327.362 2.195 40 0 EEABRN Cc1csc(C(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1Br ZINC000225414312 464158908 /nfs/dbraw/zinc/15/89/08/464158908.db2.gz ZZXSZNJXTRUYED-YUMQZZPRSA-N 0 0 331.235 2.203 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)cc1F ZINC000225428648 464160129 /nfs/dbraw/zinc/16/01/29/464160129.db2.gz FMQVODWRLSZDEY-ZDUSSCGKSA-N 0 0 331.347 2.226 40 0 EEABRN CCN(CC)Cc1nc(C2(O)CCN(C(=O)C3CC3)CC2)cs1 ZINC000225464142 464162390 /nfs/dbraw/zinc/16/23/90/464162390.db2.gz VYUQQHUKKYGKOC-UHFFFAOYSA-N 0 0 337.489 2.205 40 0 biogenic,in-vitro EEABRN COCCN(Cc1ccnn1C)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000225463055 464162530 /nfs/dbraw/zinc/16/25/30/464162530.db2.gz NAASIIKKTKYMEC-QGZVFWFLSA-N 0 0 341.411 2.155 40 0 EEABRN COc1ccccc1CCN(C)c1cc(N2CCOCC2)ncn1 ZINC000225478134 464163634 /nfs/dbraw/zinc/16/36/34/464163634.db2.gz BDLDJNABPWXCMJ-UHFFFAOYSA-N 0 0 328.416 2.001 40 0 EEABRN O=C([C@@H]1CCCc2cccnc21)N1CCO[C@H](COCC2CC2)C1 ZINC000225523565 464169179 /nfs/dbraw/zinc/16/91/79/464169179.db2.gz YNQMTIADUZGAJN-DLBZAZTESA-N 0 0 330.428 2.156 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000225671922 464179003 /nfs/dbraw/zinc/17/90/03/464179003.db2.gz WNTSKMLYILVOBP-NOZJJQNGSA-N 0 0 348.262 2.391 40 0 EEABRN C[C@H](C(=O)N1CCOC[C@H]1c1cccn1C)N1CCc2ccccc21 ZINC000188377380 464266252 /nfs/dbraw/zinc/26/62/52/464266252.db2.gz MXUNIFIZUAGFHK-BEFAXECRSA-N 0 0 339.439 2.376 40 0 EEABRN CCc1nsc(N2CCCN(Cc3cccc4nccn43)CC2)n1 ZINC000180672115 464365659 /nfs/dbraw/zinc/36/56/59/464365659.db2.gz KBWMDVCAJYOPGQ-UHFFFAOYSA-N 0 0 342.472 2.461 40 0 EEABRN O=C(Nc1cc(F)ccc1OCC1CC1)N1CCN2CCOC[C@@H]2C1 ZINC000239761621 464444529 /nfs/dbraw/zinc/44/45/29/464444529.db2.gz CJYVMHRUHAIPAC-HNNXBMFYSA-N 0 0 349.406 2.163 40 0 EEABRN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000241588199 464452858 /nfs/dbraw/zinc/45/28/58/464452858.db2.gz PARKYLQLIFZZDJ-AWEZNQCLSA-N 0 0 341.429 2.136 40 0 EEABRN O=C1[C@H](N(CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470690 464453134 /nfs/dbraw/zinc/45/31/34/464453134.db2.gz NXAVVXLCZDLZDT-QGZVFWFLSA-N 0 0 345.830 2.335 40 0 EEABRN CCCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000244448917 464460795 /nfs/dbraw/zinc/46/07/95/464460795.db2.gz ZAOFKFKXUXKYFQ-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN C[C@@H](NC(=O)NC[C@@](C)(O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000189598389 464531913 /nfs/dbraw/zinc/53/19/13/464531913.db2.gz QWJIDHONJLTVOT-FZKQIMNGSA-N 0 0 349.479 2.306 40 0 EEABRN COc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc1OCCO ZINC000281710685 464557424 /nfs/dbraw/zinc/55/74/24/464557424.db2.gz WONNGPZNYNZZLV-NEPJUHHUSA-N 0 0 325.430 2.032 40 0 EEABRN c1ccc(COCC[C@@H]2CCOC3(CN(c4ncccn4)C3)C2)nc1 ZINC000247824439 464707624 /nfs/dbraw/zinc/70/76/24/464707624.db2.gz FFSALOUCBLPUNF-MRXNPFEDSA-N 0 0 340.427 2.464 40 0 EEABRN CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000248087445 464728706 /nfs/dbraw/zinc/72/87/06/464728706.db2.gz LEZXGXIDEPLCAG-YEWWUXTCSA-N 0 0 330.384 2.042 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000248149961 464733680 /nfs/dbraw/zinc/73/36/80/464733680.db2.gz SZKSTRIAMKWPEK-CQSZACIVSA-N 0 0 329.425 2.199 40 0 EEABRN CCOC(=O)C[C@@H](C)N(C)C(=O)c1ncc(Br)s1 ZINC000192444900 464926299 /nfs/dbraw/zinc/92/62/99/464926299.db2.gz ZYXVERSKHPPFAA-SSDOTTSWSA-N 0 0 335.223 2.319 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)C[C@H]1C ZINC000252478963 464958779 /nfs/dbraw/zinc/95/87/79/464958779.db2.gz AYDISFNHPHOADF-ZUMXRPEOSA-N 0 0 340.464 2.278 40 0 EEABRN CC(C)n1nnnc1CSCc1ccc(S(C)(=O)=O)cc1 ZINC000252481492 464960319 /nfs/dbraw/zinc/96/03/19/464960319.db2.gz CNAZCACGIHVZKV-UHFFFAOYSA-N 0 0 326.447 2.091 40 0 EEABRN O=c1ccc(C(F)(F)F)cn1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192631742 464962752 /nfs/dbraw/zinc/96/27/52/464962752.db2.gz ORNZOVUNZVTVEC-UHFFFAOYSA-N 0 0 349.305 2.480 40 0 EEABRN O=C(NCCc1nccs1)NC1CCN(c2nccs2)CC1 ZINC000252495792 464969369 /nfs/dbraw/zinc/96/93/69/464969369.db2.gz PAJGUPDHTHDVKD-UHFFFAOYSA-N 0 0 337.474 2.110 40 0 EEABRN C[C@@H](C(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499662 464970698 /nfs/dbraw/zinc/97/06/98/464970698.db2.gz SDSLEZAUDWMNPN-IINYFYTJSA-N 0 0 349.374 2.282 40 0 EEABRN Cc1n[nH]cc1CN1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000253418759 465007604 /nfs/dbraw/zinc/00/76/04/465007604.db2.gz RCLYOPDRAUTESS-AWEZNQCLSA-N 0 0 349.232 2.154 40 0 EEABRN COC(=O)c1cn([C@@H]2CCN(Cc3cc(F)ccc3Cl)C2)nn1 ZINC000253433661 465015415 /nfs/dbraw/zinc/01/54/15/465015415.db2.gz ZUYANWOPQNTOCD-GFCCVEGCSA-N 0 0 338.770 2.304 40 0 EEABRN Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCn2nccc2C1 ZINC000253472659 465016185 /nfs/dbraw/zinc/01/61/85/465016185.db2.gz ODZZMRUXNRQQMA-LLVKDONJSA-N 0 0 325.821 2.138 40 0 EEABRN CC(C)(C)n1cnc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000329957585 465486834 /nfs/dbraw/zinc/48/68/34/465486834.db2.gz MBPXNNMTIFIFAH-GOSISDBHSA-N 0 0 341.415 2.696 40 0 EEABRN Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000408554932 466680872 /nfs/dbraw/zinc/68/08/72/466680872.db2.gz VQSYVMWCSOOYFF-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408554391 466681101 /nfs/dbraw/zinc/68/11/01/466681101.db2.gz RUTJPMNNOHWOIN-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(C)=O ZINC000408558188 466681375 /nfs/dbraw/zinc/68/13/75/466681375.db2.gz PTRMEVJHGSRXBY-UHFFFAOYSA-N 0 0 328.434 2.368 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)NC(C)C ZINC000408589740 466681986 /nfs/dbraw/zinc/68/19/86/466681986.db2.gz FHIYZZGHTHIOQV-UHFFFAOYSA-N 0 0 326.462 2.458 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408739157 466683161 /nfs/dbraw/zinc/68/31/61/466683161.db2.gz YPQZSJGHBWOIAK-HNNXBMFYSA-N 0 0 339.351 2.348 40 0 EEABRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Cn1nnc2ccccc21 ZINC000390833392 467413920 /nfs/dbraw/zinc/41/39/20/467413920.db2.gz GVKBEIONQIEMHY-KZULUSFZSA-N 0 0 342.374 2.463 40 0 EEABRN Cc1cccc(S(=O)(=O)NCc2ccno2)c1Br ZINC000390833687 467414484 /nfs/dbraw/zinc/41/44/84/467414484.db2.gz LLOUMEZWYPBMOH-UHFFFAOYSA-N 0 0 331.191 2.224 40 0 EEABRN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000516787424 468047113 /nfs/dbraw/zinc/04/71/13/468047113.db2.gz VVCLRMWHKKIPFS-CYBMUJFWSA-N 0 0 346.427 2.021 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2)C1(F)CC1 ZINC000575403227 468141045 /nfs/dbraw/zinc/14/10/45/468141045.db2.gz GVOCJLWQTPQPJL-SNVBAGLBSA-N 0 0 326.368 2.188 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 ZINC000575405436 468142023 /nfs/dbraw/zinc/14/20/23/468142023.db2.gz HZLHNIQXRDYIGQ-BPLDGKMQSA-N 0 0 329.375 2.468 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 ZINC000575405882 468142518 /nfs/dbraw/zinc/14/25/18/468142518.db2.gz UROPLPAMPKBYJY-JLSDUUJJSA-N 0 0 325.412 2.467 40 0 EEABRN Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)C(C)C)C[C@@H]23)cs1 ZINC000575405893 468142843 /nfs/dbraw/zinc/14/28/43/468142843.db2.gz USPYZMWDAGMILQ-BPUTZDHNSA-N 0 0 338.473 2.488 40 0 EEABRN C[C@@]1(NC(=S)Nc2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000575425786 468143863 /nfs/dbraw/zinc/14/38/63/468143863.db2.gz WLRBKTFEBMEDJE-CYBMUJFWSA-N 0 0 341.483 2.160 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605568 468145647 /nfs/dbraw/zinc/14/56/47/468145647.db2.gz KZCZOHMHJIXEEM-AWEZNQCLSA-N 0 0 347.802 2.361 40 0 EEABRN COc1ccccc1C1(C(=O)N[C@H](Cn2cncn2)C(C)C)CC1 ZINC000575606090 468146021 /nfs/dbraw/zinc/14/60/21/468146021.db2.gz CZNAHWBLRONTDJ-OAHLLOKOSA-N 0 0 328.416 2.159 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)CC1Cc2ccccc2C1 ZINC000585094836 468963530 /nfs/dbraw/zinc/96/35/30/468963530.db2.gz OYNPIECXMMNLSC-QGZVFWFLSA-N 0 0 339.439 2.125 40 0 EEABRN O=c1cc(CO)occ1OCCc1ccc2c(c1)OC(F)(F)O2 ZINC000585098343 468967230 /nfs/dbraw/zinc/96/72/30/468967230.db2.gz OYYAQFSENOADCF-UHFFFAOYSA-N 0 0 326.251 2.075 40 0 EEABRN CCOCCc1cnc2n1CCN(C(=O)c1c(C)noc1C)[C@@H]2C ZINC000585098667 468967769 /nfs/dbraw/zinc/96/77/69/468967769.db2.gz WMBUBJDBFHEBAU-GFCCVEGCSA-N 0 0 332.404 2.284 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 ZINC000585111257 468975059 /nfs/dbraw/zinc/97/50/59/468975059.db2.gz LSLBFNKMAORYGW-BBRMVZONSA-N 0 0 339.443 2.197 40 0 EEABRN Cc1cc(NC(=O)CN2CCN(C)c3cc(Cl)ccc32)n(C)n1 ZINC000585123562 468981146 /nfs/dbraw/zinc/98/11/46/468981146.db2.gz ZYFCNCMIRFZZHP-UHFFFAOYSA-N 0 0 333.823 2.277 40 0 EEABRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC3CSC3)C2)c1 ZINC000585140682 468988946 /nfs/dbraw/zinc/98/89/46/468988946.db2.gz ITKDIPHTKIYXEE-AWEZNQCLSA-N 0 0 332.469 2.387 40 0 EEABRN O=C(c1nnc(-c2ccco2)o1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000585141018 468989635 /nfs/dbraw/zinc/98/96/35/468989635.db2.gz OGWHEDDTYVISLU-LLVKDONJSA-N 0 0 326.312 2.018 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cncc(F)c2Cl)C1 ZINC000585140765 468989869 /nfs/dbraw/zinc/98/98/69/468989869.db2.gz KQEDHZSLOOVQGO-LLVKDONJSA-N 0 0 339.798 2.253 40 0 EEABRN Fc1ccccc1-n1ccc(Cn2ccnc2CN2CCOCC2)n1 ZINC000585141452 468990349 /nfs/dbraw/zinc/99/03/49/468990349.db2.gz WBRXDOHEXSJYPJ-UHFFFAOYSA-N 0 0 341.390 2.088 40 0 EEABRN CNc1nc([C@H]2CCCN2C(=O)c2cnc(C)cn2)cn2cccc12 ZINC000585178002 468993720 /nfs/dbraw/zinc/99/37/20/468993720.db2.gz NBQFHSRMEMERTQ-OAHLLOKOSA-N 0 0 336.399 2.452 40 0 EEABRN Cc1cnc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171888 468994529 /nfs/dbraw/zinc/99/45/29/468994529.db2.gz PTXQUYPTGJTKMU-HNNXBMFYSA-N 0 0 335.415 2.140 40 0 EEABRN CNC(=O)CN1CCC[C@@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585272869 468999512 /nfs/dbraw/zinc/99/95/12/468999512.db2.gz SBIGEGFDQZQEHJ-CQSZACIVSA-N 0 0 344.440 2.278 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCCN(C(=O)CCc3ccno3)C2)cc1 ZINC000585276330 469000499 /nfs/dbraw/zinc/00/04/99/469000499.db2.gz IFLMXMVEGONQOJ-LJQANCHMSA-N 0 0 344.411 2.348 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)[nH]1 ZINC000585275987 469000643 /nfs/dbraw/zinc/00/06/43/469000643.db2.gz COVPMCLJNGEDBN-IBGZPJMESA-N 0 0 347.434 2.226 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCCn2ccnc2)C1 ZINC000585276907 469001954 /nfs/dbraw/zinc/00/19/54/469001954.db2.gz PXQHOGCVDXBZAB-IBGZPJMESA-N 0 0 343.427 2.014 40 0 EEABRN O=C(CC1CCOCC1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585279793 469006665 /nfs/dbraw/zinc/00/66/65/469006665.db2.gz PKUNWNSFZLSLHT-SJLPKXTDSA-N 0 0 335.419 2.394 40 0 EEABRN O=C(NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O)c1ncc[nH]1 ZINC000585285041 469008730 /nfs/dbraw/zinc/00/87/30/469008730.db2.gz LLRZIKGHXURVGS-LERXQTSPSA-N 0 0 335.791 2.011 40 0 EEABRN Cc1ccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]cn3)C[C@H]2O)cc1 ZINC000585288984 469009963 /nfs/dbraw/zinc/00/99/63/469009963.db2.gz MATNVKWOAKVUHP-WXYTYNPNSA-N 0 0 325.412 2.183 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C[C@@H]2O)c1 ZINC000585289812 469012041 /nfs/dbraw/zinc/01/20/41/469012041.db2.gz KDANQIQTBDSBBL-KAGICYHLSA-N 0 0 339.439 2.194 40 0 EEABRN Cc1nc2c(cccc2NC(=O)N2CCN(C[C@H]3CCCO3)CC2)o1 ZINC000640249369 470835980 /nfs/dbraw/zinc/83/59/80/470835980.db2.gz UNLZLPPOBOQRDK-CQSZACIVSA-N 0 0 344.415 2.465 40 0 EEABRN CN(C)c1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)ccn1 ZINC000079310414 522116144 /nfs/dbraw/zinc/11/61/44/522116144.db2.gz USTLNLRUVIDAHP-INIZCTEOSA-N 0 0 326.400 2.368 40 0 EEABRN Cc1ncsc1CNc1cccc(C(=O)N2CCC[C@H]2CO)n1 ZINC000190213086 534798828 /nfs/dbraw/zinc/79/88/28/534798828.db2.gz ZXSATSMRHWYQHK-LBPRGKRZSA-N 0 0 332.429 2.056 40 0 EEABRN O=C(OCCN1CCCc2ccccc21)c1cnc2ccccn2c1=O ZINC000096442706 526420194 /nfs/dbraw/zinc/42/01/94/526420194.db2.gz XUERKUPMYFVMML-UHFFFAOYSA-N 0 0 349.390 2.304 40 0 EEABRN CC(=O)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)nc1 ZINC000131393725 527314234 /nfs/dbraw/zinc/31/42/34/527314234.db2.gz RLZSSAGAAQKASV-QGZVFWFLSA-N 0 0 339.395 2.124 40 0 EEABRN CCCNC(=O)c1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000408699785 528454723 /nfs/dbraw/zinc/45/47/23/528454723.db2.gz ZHYXFEDTWJRFBW-UHFFFAOYSA-N 0 0 340.445 2.010 40 0 EEABRN CCOc1cccc(N2CCN(CCc3c(C)noc3C)CC2)n1 ZINC000165724006 528661961 /nfs/dbraw/zinc/66/19/61/528661961.db2.gz JTJJYKVRANSJNK-UHFFFAOYSA-N 0 0 330.432 2.450 40 0 EEABRN CCOCCN(C)C(=O)Cc1ccc(I)cc1 ZINC000190998599 528707236 /nfs/dbraw/zinc/70/72/36/528707236.db2.gz IGRZIZBFXDUYGX-UHFFFAOYSA-N 0 0 347.196 2.329 40 0 EEABRN CC[C@@H](C)CS(=O)(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000172092298 529330345 /nfs/dbraw/zinc/33/03/45/529330345.db2.gz BCAXQLRCTGRDEW-CYBMUJFWSA-N 0 0 344.502 2.272 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)o1 ZINC000257248060 534952575 /nfs/dbraw/zinc/95/25/75/534952575.db2.gz JBVWRZZQIDAJHA-LBPRGKRZSA-N 0 0 345.403 2.027 40 0 EEABRN CCNC(=S)Nc1nc(OC)cc(N2CCc3ccccc3C2)n1 ZINC000225881349 535451755 /nfs/dbraw/zinc/45/17/55/535451755.db2.gz IUBMRSLMDAMIOT-UHFFFAOYSA-N 0 0 343.456 2.354 40 0 EEABRN CCn1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)cn1 ZINC000257266423 536024382 /nfs/dbraw/zinc/02/43/82/536024382.db2.gz MCYUXLWBWGHEDO-AWEZNQCLSA-N 0 0 340.387 2.019 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1 ZINC000257263819 536421782 /nfs/dbraw/zinc/42/17/82/536421782.db2.gz LRPMDXACIIFTFZ-MRXNPFEDSA-N 0 0 349.398 2.281 40 0 EEABRN COc1ccccc1C1(CNC(=O)N2C[C@@H](OC)[C@@H](OC)C2)CCC1 ZINC000487585928 537009850 /nfs/dbraw/zinc/00/98/50/537009850.db2.gz NASRJHBPJZWZFE-CALCHBBNSA-N 0 0 348.443 2.172 40 0 EEABRN O=C(Cc1cccc(C(F)(F)F)n1)N1CCO[C@]2(CCCOC2)C1 ZINC000935915967 682433917 /nfs/dbraw/zinc/43/39/17/682433917.db2.gz PGUIIPUWGIILLI-OAHLLOKOSA-N 0 0 344.333 2.051 40 0 EEABRN CC(=O)c1ccccc1NC(=O)CSc1nncn1-n1cccc1 ZINC000028047640 1351708722 /nfs/dbraw/zinc/70/87/22/1351708722.db2.gz RTFZFRZGVQQOTK-UHFFFAOYSA-N 0 0 341.396 2.324 40 0 EEABRN CCOC(=O)C(N=Nc1ccc(Br)cc1)C(=O)OCC ZINC000003083177 1350106961 /nfs/dbraw/zinc/10/69/61/1350106961.db2.gz FBZUIMNJHHVZNJ-UHFFFAOYSA-N 0 0 343.177 2.343 40 0 EEABRN COc1cccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)c1O ZINC000096193528 1357933100 /nfs/dbraw/zinc/93/31/00/1357933100.db2.gz LCHDUHZBKVHDHP-UHFFFAOYSA-N 0 0 330.344 2.055 40 0 EEABRN CC(=O)Oc1cccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)c1 ZINC000096193437 1357933199 /nfs/dbraw/zinc/93/31/99/1357933199.db2.gz NRVLBVJMCXBFOL-UHFFFAOYSA-N 0 0 342.355 2.266 40 0 EEABRN O=C(c1cccc(Cl)c1F)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549168700 1121136513 /nfs/dbraw/zinc/13/65/13/1121136513.db2.gz YHVUGIRSEYZSMO-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN Cc1nccc(CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 ZINC000055837867 214344264 /nfs/dbraw/zinc/34/42/64/214344264.db2.gz LVYHHLBVJMROHE-XJKSGUPXSA-N 0 0 338.411 2.011 40 0 EEABRN COCC(=O)N1Cc2nn(-c3ccccc3C)c(-n3cccc3)c2C1 ZINC000056907423 214394633 /nfs/dbraw/zinc/39/46/33/214394633.db2.gz IRQWTRFLBRUVDK-UHFFFAOYSA-N 0 0 336.395 2.460 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)n2nc(-c3cccs3)cc(N)c2=O)no1 ZINC000057759842 214448287 /nfs/dbraw/zinc/44/82/87/214448287.db2.gz ZDVGFPCMOMTBEY-VIFPVBQESA-N 0 0 345.384 2.050 40 0 EEABRN C/C(=C\C(=O)N1CCNC(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000098013924 219068549 /nfs/dbraw/zinc/06/85/49/219068549.db2.gz DOOMISWKQWOOHM-PKNBQFBNSA-N 0 0 326.318 2.457 40 0 EEABRN CC[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)c1cccs1 ZINC000151443786 529614906 /nfs/dbraw/zinc/61/49/06/529614906.db2.gz XUNGOXCZIFSDGP-IJLUTSLNSA-N 0 0 326.418 2.171 40 0 EEABRN CC[C@H](C)CC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000190382943 529640962 /nfs/dbraw/zinc/64/09/62/529640962.db2.gz HIEZSMPFKAXYGC-LBPRGKRZSA-N 0 0 342.436 2.418 40 0 EEABRN CN1N=C(C(=O)OCc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000058626473 214598913 /nfs/dbraw/zinc/59/89/13/214598913.db2.gz HUPFHLAIQXTXAN-UHFFFAOYSA-N 0 0 330.262 2.237 40 0 EEABRN O=C(CSc1nnnn1-c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004512113 210210022 /nfs/dbraw/zinc/21/00/22/210210022.db2.gz ASYYWBKDAACHFX-OUCADQQQSA-N 0 0 329.429 2.059 40 0 EEABRN Cc1c(-c2cccs2)nn2c1[nH]c([C@@H]1CC(=O)N(C)C1)cc2=O ZINC000100775799 219106427 /nfs/dbraw/zinc/10/64/27/219106427.db2.gz VEFQMNCCQSSIKM-SNVBAGLBSA-N 0 0 328.397 2.418 40 0 EEABRN CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000042646304 213521520 /nfs/dbraw/zinc/52/15/20/213521520.db2.gz OPEUVCIBAGKZKW-QMMMGPOBSA-N 0 0 338.713 2.184 40 0 EEABRN CC(C)CCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000039543359 213239058 /nfs/dbraw/zinc/23/90/58/213239058.db2.gz ORSLQSMXOLHGJE-SCLBCKFNSA-N 0 0 337.464 2.286 40 0 EEABRN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186996780 236089941 /nfs/dbraw/zinc/08/99/41/236089941.db2.gz YXRFZHNIUSXDGQ-LBPRGKRZSA-N 0 0 344.502 2.460 40 0 EEABRN NC(=O)[C@H](NC[C@H]1CCCCO1)c1ccc(Br)cc1F ZINC000096437021 283343468 /nfs/dbraw/zinc/34/34/68/283343468.db2.gz AREBWVUPESMHMB-ZWNOBZJWSA-N 0 0 345.212 2.273 40 0 EEABRN CC(C)(C)C(=O)NC1CCN(Cc2nnnn2C2CCCCC2)CC1 ZINC000035313260 213021219 /nfs/dbraw/zinc/02/12/19/213021219.db2.gz WJBPVLAXDYQVPS-UHFFFAOYSA-N 0 0 348.495 2.305 40 0 EEABRN O=C(O[C@@H](C(=O)NC[C@H]1CCCO1)c1cccnc1)c1cccs1 ZINC000035315726 213021141 /nfs/dbraw/zinc/02/11/41/213021141.db2.gz JPCPXENORHHISR-UKRRQHHQSA-N 0 0 346.408 2.336 40 0 EEABRN COCCn1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000188230535 236482570 /nfs/dbraw/zinc/48/25/70/236482570.db2.gz UFDFJUMNIHPTIO-GFCCVEGCSA-N 0 0 335.354 2.437 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000096243387 291155158 /nfs/dbraw/zinc/15/51/58/291155158.db2.gz RLFDEXZOTZRVPR-WMLDXEAASA-N 0 0 326.440 2.466 40 0 EEABRN CCc1noc(CN(C)S(=O)(=O)c2cccc3ccc(C)nc32)n1 ZINC000096461079 237063679 /nfs/dbraw/zinc/06/36/79/237063679.db2.gz ZHFPCIVIMAQORN-UHFFFAOYSA-N 0 0 346.412 2.309 40 0 EEABRN O=C(NCC(=O)N1CCc2ccccc21)NOCc1ccccc1 ZINC000072082821 216005382 /nfs/dbraw/zinc/00/53/82/216005382.db2.gz UUMHOHHBJPFDGV-UHFFFAOYSA-N 0 0 325.368 2.007 40 0 EEABRN O=C1c2ccccc2C(=O)N1CCc1nc(CNc2ccccc2)n[nH]1 ZINC000072242846 216081902 /nfs/dbraw/zinc/08/19/02/216081902.db2.gz VTNAWDYWILAOJZ-UHFFFAOYSA-N 0 0 347.378 2.256 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCCCn2cccn2)[C@@H]1c1cccs1 ZINC000072238092 216077357 /nfs/dbraw/zinc/07/73/57/216077357.db2.gz ZHEYZRJNYWEPIA-XJKSGUPXSA-N 0 0 346.456 2.061 40 0 EEABRN O=C(NCC[C@@H](O)c1ccccc1)c1ccc(Cn2cccn2)o1 ZINC000072259936 216085141 /nfs/dbraw/zinc/08/51/41/216085141.db2.gz PLNVQAZZZRRYIR-MRXNPFEDSA-N 0 0 325.368 2.378 40 0 EEABRN Cn1nccc1C(=O)C1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000072337589 216157644 /nfs/dbraw/zinc/15/76/44/216157644.db2.gz UTCAJJSXEFCAKR-UHFFFAOYSA-N 0 0 328.372 2.021 40 0 EEABRN CCn1cc(C(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccccc3F)C2)cn1 ZINC000072346702 216159599 /nfs/dbraw/zinc/15/95/99/216159599.db2.gz QGYBCMBFIYYQSL-CABCVRRESA-N 0 0 345.374 2.071 40 0 EEABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2CCOC)nc1C ZINC000072346286 216159892 /nfs/dbraw/zinc/15/98/92/216159892.db2.gz BUPBPBPXFYEPMV-MRXNPFEDSA-N 0 0 334.464 2.440 40 0 EEABRN Cc1nccn1-c1cncc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072355380 216164098 /nfs/dbraw/zinc/16/40/98/216164098.db2.gz AZJBHLNEFZMBPN-HNNXBMFYSA-N 0 0 325.416 2.477 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@@H](Cc2cccc3cccnc32)C1 ZINC000072368768 216176138 /nfs/dbraw/zinc/17/61/38/216176138.db2.gz CROQNJHXJSKMAV-ZDUSSCGKSA-N 0 0 342.424 2.211 40 0 EEABRN COCC(=O)N1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072383880 216185215 /nfs/dbraw/zinc/18/52/15/216185215.db2.gz QNJJUAZKDBFTEL-UHFFFAOYSA-N 0 0 328.372 2.016 40 0 EEABRN CNC(=O)CCc1cccc([C@@H]2CCCN2c2cc(C)ncn2)n1 ZINC000072382855 216183980 /nfs/dbraw/zinc/18/39/80/216183980.db2.gz MOTCIRNUFPXWRO-INIZCTEOSA-N 0 0 325.416 2.200 40 0 EEABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCc1nc(-c2ccncc2)no1 ZINC000028224066 212604891 /nfs/dbraw/zinc/60/48/91/212604891.db2.gz LVNTXTITPASGGJ-ZIAGYGMSSA-N 0 0 340.383 2.239 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)[C@@H](C)n1cccn1)c1noc(C)n1 ZINC000072696182 216296382 /nfs/dbraw/zinc/29/63/82/216296382.db2.gz WMVLFWDKXIRQPY-IAQYHMDHSA-N 0 0 341.371 2.050 40 0 EEABRN Cc1nn(C)cc1C(=O)OCCCNC(=O)Cc1ccccc1Cl ZINC000073289583 216374017 /nfs/dbraw/zinc/37/40/17/216374017.db2.gz VZDFVIRVCMEUNY-UHFFFAOYSA-N 0 0 349.818 2.288 40 0 EEABRN CCn1ncnc1CN1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000193429458 240161222 /nfs/dbraw/zinc/16/12/22/240161222.db2.gz XCXDCGHKWBKROS-OAHLLOKOSA-N 0 0 343.431 2.218 40 0 EEABRN CCOP(=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)OCC ZINC000022057388 212274078 /nfs/dbraw/zinc/27/40/78/212274078.db2.gz GCOFRXOOFANVPB-JTQLQIEISA-N 0 0 343.324 2.037 40 0 in-vitro EEABRN Cc1ccc(C(=O)NCCc2ccccc2)cc1N(C)S(C)(=O)=O ZINC000222446092 241515958 /nfs/dbraw/zinc/51/59/58/241515958.db2.gz ABFZDAYHASUUGA-UHFFFAOYSA-N 0 0 346.452 2.363 40 0 EEABRN CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nn1 ZINC000225444680 241865992 /nfs/dbraw/zinc/86/59/92/241865992.db2.gz RVABXWZZHNZGED-GFCCVEGCSA-N 0 0 348.353 2.114 40 0 EEABRN Cc1ccc(O[C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1 ZINC000225466767 241877527 /nfs/dbraw/zinc/87/75/27/241877527.db2.gz TXSCILRZHRQAQJ-AWEZNQCLSA-N 0 0 339.461 2.291 40 0 EEABRN CCn1cnnc1C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000225520755 241910041 /nfs/dbraw/zinc/91/00/41/241910041.db2.gz SHSMYNWKHNESMW-UHFFFAOYSA-N 0 0 348.472 2.476 40 0 EEABRN COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000225808391 242046836 /nfs/dbraw/zinc/04/68/36/242046836.db2.gz JNBLRWLZMGPZKT-CQSZACIVSA-N 0 0 338.367 2.260 40 0 EEABRN CCn1nc(C)cc1CNC(=O)c1cc(C)nc(N2CCCCC2)n1 ZINC000226746638 242111558 /nfs/dbraw/zinc/11/15/58/242111558.db2.gz PNHLJFNLXPWVHD-UHFFFAOYSA-N 0 0 342.447 2.230 40 0 EEABRN Cc1nccn1CCCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000227115232 242121312 /nfs/dbraw/zinc/12/13/12/242121312.db2.gz ITJVDQDTRQLXKB-UHFFFAOYSA-N 0 0 327.363 2.336 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000239782437 242964143 /nfs/dbraw/zinc/96/41/43/242964143.db2.gz COODIFSMHKQPSZ-TZMCWYRMSA-N 0 0 343.420 2.085 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@@H](CCOc1ncccn1)CCO2 ZINC000247880155 243474055 /nfs/dbraw/zinc/47/40/55/243474055.db2.gz VNKPNLKSQZBCJL-AWEZNQCLSA-N 0 0 343.383 2.160 40 0 EEABRN O=C(COc1ccsc1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000253397350 243902139 /nfs/dbraw/zinc/90/21/39/243902139.db2.gz RRMQNRRVUKPBFJ-UHFFFAOYSA-N 0 0 341.392 2.371 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1Cl ZINC000020453683 212130541 /nfs/dbraw/zinc/13/05/41/212130541.db2.gz OFPDOZWRIZVSDU-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)ccn1 ZINC000257205327 244133105 /nfs/dbraw/zinc/13/31/05/244133105.db2.gz AYNLDCULRUBYDP-INIZCTEOSA-N 0 0 327.432 2.425 40 0 EEABRN CO[C@H]1CCN(C(=O)Cc2ccc(F)c(F)c2)C[C@@]12CCCO2 ZINC000257218138 244172861 /nfs/dbraw/zinc/17/28/61/244172861.db2.gz DBZKUCZDTAGXIY-RDJZCZTQSA-N 0 0 325.355 2.304 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(Cc3csc(C)n3)CCN2C)c1 ZINC000257217653 244175021 /nfs/dbraw/zinc/17/50/21/244175021.db2.gz CZYPMEAQJWNGJX-KRWDZBQOSA-N 0 0 344.484 2.300 40 0 EEABRN O=C(c1cnc2ccccc2c1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257212647 244156846 /nfs/dbraw/zinc/15/68/46/244156846.db2.gz CEIMVVCOILSEOR-SFHVURJKSA-N 0 0 348.406 2.499 40 0 EEABRN Cc1cccc(C[C@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)n1 ZINC000257227074 244203928 /nfs/dbraw/zinc/20/39/28/244203928.db2.gz FNMVYRJPUGUJRN-CQSZACIVSA-N 0 0 326.400 2.289 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257245653 244256362 /nfs/dbraw/zinc/25/63/62/244256362.db2.gz IQMNNDQMVYEMQT-MRXNPFEDSA-N 0 0 349.398 2.184 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257239092 244238578 /nfs/dbraw/zinc/23/85/78/244238578.db2.gz HNXVYLKWMXXDNZ-LLVKDONJSA-N 0 0 341.337 2.106 40 0 EEABRN Cc1nc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251948 244269778 /nfs/dbraw/zinc/26/97/78/244269778.db2.gz JSYUTENBWGIZHL-SFHVURJKSA-N 0 0 339.395 2.340 40 0 EEABRN Cc1ccnc([C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258406 244289716 /nfs/dbraw/zinc/28/97/16/244289716.db2.gz KTSPDJXVSJHAGG-OAHLLOKOSA-N 0 0 331.441 2.178 40 0 EEABRN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(F)ccc3F)ccc21 ZINC000019936677 212087228 /nfs/dbraw/zinc/08/72/28/212087228.db2.gz GUDVMWYQBPEQIZ-UHFFFAOYSA-N 0 0 340.307 2.211 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257277691 244397150 /nfs/dbraw/zinc/39/71/50/244397150.db2.gz NZADHWVYNVEWKY-HNNXBMFYSA-N 0 0 330.388 2.166 40 0 EEABRN c1cnc(C[C@H]2CCC3(CCN(c4cnccn4)CC3)CO2)cn1 ZINC000257297849 244455693 /nfs/dbraw/zinc/45/56/93/244455693.db2.gz RIZVVRDSBVSXJL-MRXNPFEDSA-N 0 0 325.416 2.275 40 0 EEABRN CO[C@@H]1CCCC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)[C@H]1O ZINC000257300507 244462830 /nfs/dbraw/zinc/46/28/30/244462830.db2.gz RUODMEXHWFUQKR-IIAWOOMASA-N 0 0 329.799 2.456 40 0 EEABRN COc1ccc2c(c1)C=C(CN1CCc3c(nc(C)[nH]c3=O)C1)CO2 ZINC000019576560 212044884 /nfs/dbraw/zinc/04/48/84/212044884.db2.gz YYADYQCSKZPGFH-UHFFFAOYSA-N 0 0 339.395 2.333 40 0 EEABRN CCn1nc(C)c([C@H](C)NC(=O)c2cc(-c3cnn(C)c3)on2)c1C ZINC000019523766 212037864 /nfs/dbraw/zinc/03/78/64/212037864.db2.gz LRZXZSGTDCMMGU-JTQLQIEISA-N 0 0 342.403 2.399 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000019340276 212018459 /nfs/dbraw/zinc/01/84/59/212018459.db2.gz QCJNNXUBTMCEKF-INIZCTEOSA-N 0 0 347.378 2.204 40 0 EEABRN CCCNC(=O)c1cccc(C(=O)Nc2nc(C(C)C)nn2C)c1 ZINC000078112553 217023666 /nfs/dbraw/zinc/02/36/66/217023666.db2.gz SGCHGHMRFWNMQC-UHFFFAOYSA-N 0 0 329.404 2.331 40 0 EEABRN Cn1cc(NC(=O)CN2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000019290721 212011342 /nfs/dbraw/zinc/01/13/42/212011342.db2.gz KZUNFNJWDDQYLK-CQSZACIVSA-N 0 0 346.406 2.289 40 0 EEABRN NC(=O)C1CCN(c2ncccc2CNCc2ccc(Cl)o2)CC1 ZINC000078552522 217074135 /nfs/dbraw/zinc/07/41/35/217074135.db2.gz CWJLNXMYLSZXJB-UHFFFAOYSA-N 0 0 348.834 2.320 40 0 EEABRN COc1ccnc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000078555172 217075325 /nfs/dbraw/zinc/07/53/25/217075325.db2.gz GSDSXZXAMMNUMK-UHFFFAOYSA-N 0 0 341.371 2.055 40 0 EEABRN CCCn1nnnc1CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776799 217119717 /nfs/dbraw/zinc/11/97/17/217119717.db2.gz UIOYZYMFCZQVJX-ZDUSSCGKSA-N 0 0 325.420 2.339 40 0 EEABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000079098296 217193552 /nfs/dbraw/zinc/19/35/52/217193552.db2.gz MRNJZGUTPOWWSF-NWDGAFQWSA-N 0 0 330.425 2.351 40 0 EEABRN Cc1cccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000111176918 220105232 /nfs/dbraw/zinc/10/52/32/220105232.db2.gz MQJYODKZCRNIED-UHFFFAOYSA-N 0 0 346.452 2.073 40 0 EEABRN Cc1ccccc1CS(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111343315 220142268 /nfs/dbraw/zinc/14/22/68/220142268.db2.gz MMIPXYDXYWNYKD-AWEZNQCLSA-N 0 0 338.454 2.355 40 0 EEABRN C[C@H](c1ccccc1F)N(Cc1nc(N)nc(N(C)C)n1)C1CC1 ZINC000083169042 217520266 /nfs/dbraw/zinc/52/02/66/217520266.db2.gz ZVGLWGJGRFWUKR-LLVKDONJSA-N 0 0 330.411 2.385 40 0 EEABRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc2ccccc21 ZINC000083995190 217568497 /nfs/dbraw/zinc/56/84/97/217568497.db2.gz LFAYONGVEAWDIZ-SQHYZVFZSA-N 0 0 337.466 2.370 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)on1 ZINC000012225094 211325116 /nfs/dbraw/zinc/32/51/16/211325116.db2.gz XATDCOZDZGAODP-UHFFFAOYSA-N 0 0 339.355 2.448 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@H](C)C1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181284 211311289 /nfs/dbraw/zinc/31/12/89/211311289.db2.gz CUPNEKKWCLNRNI-RYUDHWBXSA-N 0 0 346.456 2.374 40 0 EEABRN COc1sc(CN2C[C@H](CO)OC[C@@H]2C)cc1Br ZINC000092041593 218109456 /nfs/dbraw/zinc/10/94/56/218109456.db2.gz JYQASHHXDIYOMW-DTWKUNHWSA-N 0 0 336.251 2.101 40 0 EEABRN CC1(NC(=O)NCCCCn2ccccc2=O)Cc2ccccc2C1 ZINC000092245130 218129764 /nfs/dbraw/zinc/12/97/64/218129764.db2.gz HGTCASSWWDIXGX-UHFFFAOYSA-N 0 0 339.439 2.485 40 0 EEABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000010449757 211174310 /nfs/dbraw/zinc/17/43/10/211174310.db2.gz LHZUIJAEJGVOHW-AWEZNQCLSA-N 0 0 344.436 2.430 40 0 EEABRN COc1cc(CNC(=O)COc2ccccc2)cc(OC)c1OC ZINC000009887826 211130810 /nfs/dbraw/zinc/13/08/10/211130810.db2.gz GENVKHNLQUWZNL-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN COc1ccccc1/C=c1/sc2nnc(-c3ccccc3)n2c1=O ZINC000009189048 211050342 /nfs/dbraw/zinc/05/03/42/211050342.db2.gz CTPNSKRGCSPDNO-RVDMUPIBSA-N 0 0 335.388 2.374 40 0 EEABRN O=C(COc1ccccc1)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000009064308 211037973 /nfs/dbraw/zinc/03/79/73/211037973.db2.gz ZKDATYUKRDKHFY-UHFFFAOYSA-N 0 0 344.392 2.350 40 0 EEABRN O=C(NCc1nnc2n1CCC2)N[C@@H](c1ccccn1)C1CCCC1 ZINC000095403621 218338901 /nfs/dbraw/zinc/33/89/01/218338901.db2.gz LZJITVGMGXDLQZ-QGZVFWFLSA-N 0 0 340.431 2.350 40 0 EEABRN Cc1cnc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449224 218393097 /nfs/dbraw/zinc/39/30/97/218393097.db2.gz AJKAQYIBVNBQHI-GOEBONIOSA-N 0 0 332.354 2.238 40 0 EEABRN Cc1noc([C@H]2C[C@H]3CN(C(=O)Cc4cccs4)CC[C@H]3O2)n1 ZINC000096043644 218528491 /nfs/dbraw/zinc/52/84/91/218528491.db2.gz MXFQQPULHIORPI-IACUBPJLSA-N 0 0 333.413 2.361 40 0 EEABRN O=C([C@@H]1COC[C@H]2CN(c3ccccc3)C[C@H]21)N1CCC(F)CC1 ZINC000096064486 218559998 /nfs/dbraw/zinc/55/99/98/218559998.db2.gz AFPJNZPQVQUACV-ZTFGCOKTSA-N 0 0 332.419 2.346 40 0 EEABRN c1cnc(N2CCC[C@@]3(C[C@@H](OCc4cccnc4)CO3)C2)nc1 ZINC000096073594 218571421 /nfs/dbraw/zinc/57/14/21/218571421.db2.gz HSRPGTUBNZIRHQ-SJLPKXTDSA-N 0 0 326.400 2.216 40 0 EEABRN O=C(CC(F)(F)F)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161439 218637914 /nfs/dbraw/zinc/63/79/14/218637914.db2.gz AXIICCZHRTUURL-IUODEOHRSA-N 0 0 326.318 2.071 40 0 EEABRN Cc1c(CNC(=O)CCn2ncc3ccc(Cl)cc32)cnn1C ZINC000096181950 218644336 /nfs/dbraw/zinc/64/43/36/218644336.db2.gz UPMXJMHFPQSZBR-UHFFFAOYSA-N 0 0 331.807 2.438 40 0 EEABRN Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccc(C)n2)nc1 ZINC000096186531 218652374 /nfs/dbraw/zinc/65/23/74/218652374.db2.gz YJNCCCURDZYMLL-IRXDYDNUSA-N 0 0 337.427 2.258 40 0 EEABRN O=C(CC1CC1)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096227783 218704573 /nfs/dbraw/zinc/70/45/73/218704573.db2.gz CIXJBFHFTYZSSV-AUUYWEPGSA-N 0 0 342.395 2.393 40 0 EEABRN O=C(N[C@H](c1nccs1)C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425545 218794424 /nfs/dbraw/zinc/79/44/24/218794424.db2.gz HNDULZQBACAHNF-KGLIPLIRSA-N 0 0 333.457 2.359 40 0 EEABRN Cc1cc([C@H](C)NC(=O)NC[C@](C)(O)c2cnn(C)c2)cc(C)c1F ZINC000096440891 218821527 /nfs/dbraw/zinc/82/15/27/218821527.db2.gz DAZGSAKRQGUKHX-UGSOOPFHSA-N 0 0 348.422 2.444 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc(=O)[nH]1 ZINC000096495104 218872997 /nfs/dbraw/zinc/87/29/97/218872997.db2.gz HVRRACNTVDEHNG-AWEZNQCLSA-N 0 0 342.443 2.012 40 0 EEABRN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000005431791 210462346 /nfs/dbraw/zinc/46/23/46/210462346.db2.gz MPSGTHBFYDUILP-HNNXBMFYSA-N 0 0 334.372 2.285 40 0 EEABRN COCC(=O)NCCn1ncc(-c2cc(C)no2)c1-c1cccs1 ZINC000019124436 533064309 /nfs/dbraw/zinc/06/43/09/533064309.db2.gz QRFLFPATZCNOMA-UHFFFAOYSA-N 0 0 346.412 2.338 40 0 EEABRN COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1nnc2ccccc21 ZINC000005014769 210362028 /nfs/dbraw/zinc/36/20/28/210362028.db2.gz HKMOCCSKXOMWPK-CQSZACIVSA-N 0 0 341.367 2.082 40 0 EEABRN CC(C)(C)c1cnc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)o1 ZINC000097232481 219001360 /nfs/dbraw/zinc/00/13/60/219001360.db2.gz QSPFAJGPQGWXGQ-QGZVFWFLSA-N 0 0 328.372 2.334 40 0 EEABRN O=c1c2cccc(Br)c2ncn1C[C@@H](O)C(F)(F)F ZINC000097378035 219018902 /nfs/dbraw/zinc/01/89/02/219018902.db2.gz JXBWXCYUGRZKMG-MRVPVSSYSA-N 0 0 337.095 2.082 40 0 EEABRN O=C([C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)N1CCOCC1 ZINC000306138916 257924108 /nfs/dbraw/zinc/92/41/08/257924108.db2.gz SKQRAXVXWDIWEB-ZDUSSCGKSA-N 0 0 329.375 2.180 40 0 EEABRN CC(=O)N1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306144251 257926033 /nfs/dbraw/zinc/92/60/33/257926033.db2.gz ZALBXTSAGYPMLR-DLBZAZTESA-N 0 0 327.359 2.055 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NCCC2CCCCC2)cc1 ZINC000408710324 533480080 /nfs/dbraw/zinc/48/00/80/533480080.db2.gz XICSQDPDEBIIAR-UHFFFAOYSA-N 0 0 332.444 2.441 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)Nc1cnc(N2CCOCC2)nc1 ZINC000065224994 132807744 /nfs/dbraw/zinc/80/77/44/132807744.db2.gz KKNNGCGNXDBDSK-UHFFFAOYSA-N 0 0 332.791 2.148 40 0 EEABRN O=S(=O)(Cc1ccon1)N1CCN(CC2CC2)c2ccccc21 ZINC000074977028 132815023 /nfs/dbraw/zinc/81/50/23/132815023.db2.gz OAIQCNMRCJUWDF-UHFFFAOYSA-N 0 0 333.413 2.241 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1Cc1cccc(C)c1 ZINC000096206812 286056090 /nfs/dbraw/zinc/05/60/90/286056090.db2.gz FOPVYGHATAFFLD-WMZOPIPTSA-N 0 0 327.428 2.448 40 0 EEABRN COc1cc(Br)cc2cc(C(=O)N(C)C)c(=O)oc21 ZINC000026843200 286191453 /nfs/dbraw/zinc/19/14/53/286191453.db2.gz HFONFVSMGQKZOS-UHFFFAOYSA-N 0 0 326.146 2.266 40 0 EEABRN CCCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000014153575 262503668 /nfs/dbraw/zinc/50/36/68/262503668.db2.gz RCMPSEYXVGDUEH-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN CNC(=O)c1cc(C[C@H]2CCCN(C(=O)CC(C)(C)C)C2)ncn1 ZINC000257251937 277015387 /nfs/dbraw/zinc/01/53/87/277015387.db2.gz JSXKYPWHKCDSCI-CYBMUJFWSA-N 0 0 332.448 2.054 40 0 EEABRN C[C@@H](CNc1ncccc1C(=O)N1CCCCC1)N1CCOC[C@H]1C ZINC000096429500 278287843 /nfs/dbraw/zinc/28/78/43/278287843.db2.gz BQHBBKWOKBTRSN-JKSUJKDBSA-N 0 0 346.475 2.229 40 0 EEABRN CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC000089271946 278801876 /nfs/dbraw/zinc/80/18/76/278801876.db2.gz QYYHLPCXILUNDL-INIZCTEOSA-N 0 0 349.479 2.258 40 0 EEABRN Cn1ccc(C(=O)NC(=S)Nc2ccccc2Br)n1 ZINC000000266947 279359588 /nfs/dbraw/zinc/35/95/88/279359588.db2.gz FDXNTAVMNZBVBX-UHFFFAOYSA-N 0 0 339.218 2.309 40 0 EEABRN O=C(c1ccoc1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096187967 280222479 /nfs/dbraw/zinc/22/24/79/280222479.db2.gz HMJQIGKLEDAOHI-AWEZNQCLSA-N 0 0 338.367 2.222 40 0 EEABRN c1cnc(N2CCC3(CC[C@@H](Cc4cnccn4)OC3)CC2)nc1 ZINC000257320355 280499972 /nfs/dbraw/zinc/49/99/72/280499972.db2.gz VWLKYXVXVXENQU-INIZCTEOSA-N 0 0 325.416 2.275 40 0 EEABRN O=C(C1CC=CC1)N1CC[C@@]2(C1)CCC[C@H](CNc1ncccn1)O2 ZINC000096215685 295438472 /nfs/dbraw/zinc/43/84/72/295438472.db2.gz RMGAAHHJILDKRG-VQIMIIECSA-N 0 0 342.443 2.395 40 0 EEABRN C[C@H](C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1)N1CCCCC1=O ZINC000072542440 298093275 /nfs/dbraw/zinc/09/32/75/298093275.db2.gz GXKTVAPEBGGUOW-BFYDXBDKSA-N 0 0 330.428 2.376 40 0 EEABRN NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000257307804 303351396 /nfs/dbraw/zinc/35/13/96/303351396.db2.gz TUENTYDLIULFOH-OAHLLOKOSA-N 0 0 349.394 2.196 40 0 EEABRN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1(c2ccccc2)CCC1 ZINC000053472925 303601823 /nfs/dbraw/zinc/60/18/23/303601823.db2.gz TUGGVWBMSPNKKH-HOTGVXAUSA-N 0 0 340.423 2.357 40 0 EEABRN Oc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCOCC2)cc1 ZINC000019825350 304845481 /nfs/dbraw/zinc/84/54/81/304845481.db2.gz WRBFLYFVQVUZFM-QGZVFWFLSA-N 0 0 343.431 2.306 40 0 EEABRN COCC[C@@H](C)S(=O)(=O)N1CCC(Cc2cccnc2)CC1 ZINC000330917451 311800571 /nfs/dbraw/zinc/80/05/71/311800571.db2.gz LWCVLOYWBSVRPO-CQSZACIVSA-N 0 0 326.462 2.091 40 0 EEABRN Cc1cc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)ccn1 ZINC000332319035 311988470 /nfs/dbraw/zinc/98/84/70/311988470.db2.gz KBHQGKKBBXKXDH-CQSZACIVSA-N 0 0 331.338 2.379 40 0 EEABRN CCc1ccc([C@@H]2CCCCCN2C(=O)CS(=O)(=O)N(C)C)o1 ZINC000097372350 323322139 /nfs/dbraw/zinc/32/21/39/323322139.db2.gz GCKIRYJIQAQMCJ-AWEZNQCLSA-N 0 0 342.461 2.177 40 0 EEABRN C[C@H](NCCC(=O)N1CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000097374530 323322473 /nfs/dbraw/zinc/32/24/73/323322473.db2.gz MXPUHYUSVGFCCT-AWEZNQCLSA-N 0 0 329.400 2.241 40 0 EEABRN CN(C[C@@H](O)C(F)(F)F)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000097375529 323322492 /nfs/dbraw/zinc/32/24/92/323322492.db2.gz AAQMAECYYWGWOL-CQSZACIVSA-N 0 0 345.365 2.220 40 0 EEABRN COc1cccc(Cl)c1CC(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000153653289 323330743 /nfs/dbraw/zinc/33/07/43/323330743.db2.gz XBUHHCRMNNUWIB-UHFFFAOYSA-N 0 0 333.779 2.448 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)CCc3ccccc3)C2=O)o1 ZINC000184712277 323426270 /nfs/dbraw/zinc/42/62/70/323426270.db2.gz WGDANFOUPUFZAB-DNVCBOLYSA-N 0 0 342.395 2.349 40 0 EEABRN Cc1noc([C@H]2COCCN2Cc2nc(-c3ccccc3)no2)n1 ZINC000185082233 323431804 /nfs/dbraw/zinc/43/18/04/323431804.db2.gz FSZLXXSITCTOPW-CYBMUJFWSA-N 0 0 327.344 2.002 40 0 EEABRN CN(Cc1nccs1)S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187400094 323451343 /nfs/dbraw/zinc/45/13/43/323451343.db2.gz KNMQPCXOIDTDLZ-UHFFFAOYSA-N 0 0 346.437 2.421 40 0 EEABRN C[C@@H]1OCC[C@H]1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000195559595 323514710 /nfs/dbraw/zinc/51/47/10/323514710.db2.gz LBFVENBGHWQFSK-SMDDNHRTSA-N 0 0 333.363 2.350 40 0 EEABRN COCn1nc(C)c(S(=O)(=O)NC2(c3ccccc3)CCC2)c1C ZINC000390834267 323545274 /nfs/dbraw/zinc/54/52/74/323545274.db2.gz VMFLYXIGQOJMNO-UHFFFAOYSA-N 0 0 349.456 2.462 40 0 EEABRN O=C(Nc1ccc(-c2ccccc2)nn1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333890828 465035239 /nfs/dbraw/zinc/03/52/39/465035239.db2.gz GWLHSLGXOIPOLK-XHSDSOJGSA-N 0 0 338.411 2.768 40 0 EEABRN CC[C@@H](CO)N1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000085584792 462553629 /nfs/dbraw/zinc/55/36/29/462553629.db2.gz KVOIKYBRDQYQBH-JTQLQIEISA-N 0 0 331.338 2.024 40 0 EEABRN COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)cc1 ZINC000000410511 462558951 /nfs/dbraw/zinc/55/89/51/462558951.db2.gz ZCKGRXLQJXJSJY-UHFFFAOYSA-N 0 0 344.396 2.422 40 0 EEABRN Cc1cc(CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)no1 ZINC000074421278 462597176 /nfs/dbraw/zinc/59/71/76/462597176.db2.gz WVMMITLVPINIPC-INIZCTEOSA-N 0 0 328.347 2.304 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000087501575 462610366 /nfs/dbraw/zinc/61/03/66/462610366.db2.gz ZMSBZLBLNIMOIW-ZDUSSCGKSA-N 0 0 348.397 2.253 40 0 EEABRN COc1cc(CN2CC[C@@H](NC(=O)c3ccc[nH]3)C2)cc(OC)c1 ZINC000087504690 462610930 /nfs/dbraw/zinc/61/09/30/462610930.db2.gz IHMMHKYPJOBRHV-CQSZACIVSA-N 0 0 329.400 2.036 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000113967123 462618924 /nfs/dbraw/zinc/61/89/24/462618924.db2.gz VWKWJSDWYMUQAO-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000074679208 462623604 /nfs/dbraw/zinc/62/36/04/462623604.db2.gz XMTXBDZJOJHMKO-XJKCOSOUSA-N 0 0 342.439 2.446 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000005827355 462669834 /nfs/dbraw/zinc/66/98/34/462669834.db2.gz HCZWAYGRTNXCTK-UHFFFAOYSA-N 0 0 330.369 2.322 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000075111311 462677020 /nfs/dbraw/zinc/67/70/20/462677020.db2.gz GYIJWVULOFGDEJ-GJZGRUSLSA-N 0 0 340.489 2.309 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CC)cc1 ZINC000006880258 462710806 /nfs/dbraw/zinc/71/08/06/462710806.db2.gz LVGHMGLTTNEWFQ-ZDUSSCGKSA-N 0 0 326.462 2.222 40 0 EEABRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000047324088 462769564 /nfs/dbraw/zinc/76/95/64/462769564.db2.gz GGACKUVZINFWJR-LLVKDONJSA-N 0 0 345.852 2.133 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000008288582 462777388 /nfs/dbraw/zinc/77/73/88/462777388.db2.gz DLOTZLYYSLTYSQ-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN CC(C)(Br)C(=O)NCCC(=O)Nc1ccc(F)cc1 ZINC000008733184 462793477 /nfs/dbraw/zinc/79/34/77/462793477.db2.gz LPLTZJPBPQWICD-UHFFFAOYSA-N 0 0 331.185 2.444 40 0 EEABRN CCSC(Nc1cccc(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009973670 462809787 /nfs/dbraw/zinc/80/97/87/462809787.db2.gz MFKITDVOAFBJFM-UHFFFAOYSA-N 0 0 333.413 2.422 40 0 EEABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000010330895 462817776 /nfs/dbraw/zinc/81/77/76/462817776.db2.gz GGYKEUGKNZETLG-LLVKDONJSA-N 0 0 332.853 2.328 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000076377326 462850638 /nfs/dbraw/zinc/85/06/38/462850638.db2.gz KXFADWRZCUKWDC-KBPBESRZSA-N 0 0 329.849 2.355 40 0 EEABRN CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076498456 462869671 /nfs/dbraw/zinc/86/96/71/462869671.db2.gz VLNZWHOOQGWCGM-ZIAGYGMSSA-N 0 0 329.487 2.495 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 ZINC000014197987 462918080 /nfs/dbraw/zinc/91/80/80/462918080.db2.gz XXMCYWPMZDOLFS-GFCCVEGCSA-N 0 0 342.436 2.332 40 0 EEABRN Cc1cc(C)n(CCOC(=O)c2ccc(-n3cncn3)c(C)c2)n1 ZINC000076874654 462918870 /nfs/dbraw/zinc/91/88/70/462918870.db2.gz RXQARAYVAHSHMU-UHFFFAOYSA-N 0 0 325.372 2.246 40 0 EEABRN Cc1cc(C(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)on1 ZINC000019123505 463014945 /nfs/dbraw/zinc/01/49/45/463014945.db2.gz DZNZUQOZJYWOOT-UHFFFAOYSA-N 0 0 327.344 2.317 40 0 EEABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 ZINC000020154117 463025661 /nfs/dbraw/zinc/02/56/61/463025661.db2.gz YFYMOUOLZCICKO-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCOCC1 ZINC000020497128 463027564 /nfs/dbraw/zinc/02/75/64/463027564.db2.gz UQZJCUKTOOENCS-UHFFFAOYSA-N 0 0 346.305 2.201 40 0 EEABRN CCC[C@@H]1c2ccccc2CCN1C(=O)c1coc(S(N)(=O)=O)c1 ZINC000095450617 463087372 /nfs/dbraw/zinc/08/73/72/463087372.db2.gz UTFIBTQTHOMFQK-OAHLLOKOSA-N 0 0 348.424 2.467 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000068150683 463099257 /nfs/dbraw/zinc/09/92/57/463099257.db2.gz KODLRUIHHICYKS-LOUJCGABSA-N 0 0 336.480 2.040 40 0 EEABRN Fc1cnc(N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000096040356 463145442 /nfs/dbraw/zinc/14/54/42/463145442.db2.gz DUEZAYWWSGIIKG-QAPCUYQASA-N 0 0 344.390 2.465 40 0 EEABRN Cc1ccoc1C(=O)N1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC000096041652 463146257 /nfs/dbraw/zinc/14/62/57/463146257.db2.gz RTHMCNXHBNLPFK-LZLYRXPVSA-N 0 0 349.427 2.403 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045076 463148771 /nfs/dbraw/zinc/14/87/71/463148771.db2.gz WCWUGUZWVHTBCP-HNNXBMFYSA-N 0 0 326.400 2.074 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccc(F)c1 ZINC000096045355 463148784 /nfs/dbraw/zinc/14/87/84/463148784.db2.gz BMWAWAVZPXXOTE-INIZCTEOSA-N 0 0 344.390 2.213 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)n1 ZINC000096048581 463152278 /nfs/dbraw/zinc/15/22/78/463152278.db2.gz UCAFMCPZAWXRAN-CRAIPNDOSA-N 0 0 326.400 2.223 40 0 EEABRN Cc1nc(CN2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)cs1 ZINC000096050795 463155474 /nfs/dbraw/zinc/15/54/74/463155474.db2.gz CJINWOFRGSBPJX-KRWDZBQOSA-N 0 0 328.441 2.476 40 0 EEABRN O=C(c1ccco1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC000096058102 463159583 /nfs/dbraw/zinc/15/95/83/463159583.db2.gz KSXUYIASCPYCDV-UAGQMJEPSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065719 463164470 /nfs/dbraw/zinc/16/44/70/463164470.db2.gz UGLSOLBZNJPNIU-BZSNNMDCSA-N 0 0 339.395 2.065 40 0 EEABRN CCn1cc2c(n1)CN(Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096068686 463165919 /nfs/dbraw/zinc/16/59/19/463165919.db2.gz IIPUGAUWWAJUNE-AWEZNQCLSA-N 0 0 329.400 2.378 40 0 EEABRN Cn1nc(CNC(=O)CSCc2ccccc2)c2c1CCOC2 ZINC000096103993 463174400 /nfs/dbraw/zinc/17/44/00/463174400.db2.gz PCAFYDMXKLPEPF-UHFFFAOYSA-N 0 0 331.441 2.042 40 0 EEABRN CCO[C@@H]1COC2(C1)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096106569 463175137 /nfs/dbraw/zinc/17/51/37/463175137.db2.gz NCOQOZLWMYVLKR-AWEZNQCLSA-N 0 0 343.420 2.174 40 0 EEABRN COC[C@]12COC[C@H]1CN(C(=O)c1cc(OC)ccc1Cl)C2 ZINC000096108657 463176778 /nfs/dbraw/zinc/17/67/78/463176778.db2.gz HQMMOTXQFBKING-BDJLRTHQSA-N 0 0 325.792 2.084 40 0 EEABRN C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccccc1 ZINC000096109714 463178010 /nfs/dbraw/zinc/17/80/10/463178010.db2.gz ADJJYBNEKALELY-OAHLLOKOSA-N 0 0 342.443 2.065 40 0 EEABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4cnn(C)c4)C[C@H]3F)nc2c1 ZINC000096112329 463180349 /nfs/dbraw/zinc/18/03/49/463180349.db2.gz KMVJMWJMRGSAET-PBHICJAKSA-N 0 0 343.406 2.344 40 0 biogenic,in-vitro EEABRN O=C(CC(F)(F)F)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161442 463192135 /nfs/dbraw/zinc/19/21/35/463192135.db2.gz AXIICCZHRTUURL-DOMZBBRYSA-N 0 0 326.318 2.071 40 0 EEABRN O=C(c1cscn1)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC000096187899 463198837 /nfs/dbraw/zinc/19/88/37/463198837.db2.gz QIVHJXHKRHYPBL-ZDUSSCGKSA-N 0 0 332.429 2.038 40 0 EEABRN Cc1c(CNC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)cnn1C ZINC000096192941 463201604 /nfs/dbraw/zinc/20/16/04/463201604.db2.gz GVPADKMGLJHKEZ-QGZVFWFLSA-N 0 0 330.363 2.067 40 0 EEABRN C[C@]1(C(=O)NCCCn2ccnc2)CC(c2ccccc2F)=NO1 ZINC000096192679 463201934 /nfs/dbraw/zinc/20/19/34/463201934.db2.gz UDULTCJDYXJAIM-QGZVFWFLSA-N 0 0 330.363 2.112 40 0 EEABRN Cc1ccsc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC000096196963 463202708 /nfs/dbraw/zinc/20/27/08/463202708.db2.gz WCQFVVWBDVZYEW-UHFFFAOYSA-N 0 0 341.440 2.196 40 0 EEABRN Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)CC1CC1)C2 ZINC000096198033 463202781 /nfs/dbraw/zinc/20/27/81/463202781.db2.gz ULRQUGXZADSHTI-HNNXBMFYSA-N 0 0 326.400 2.120 40 0 EEABRN COCCN1CCN(C(=O)c2cccc(F)c2)Cc2cccnc21 ZINC000096198859 463204606 /nfs/dbraw/zinc/20/46/06/463204606.db2.gz SAEBOSQXECNGSQ-UHFFFAOYSA-N 0 0 329.375 2.330 40 0 EEABRN O=C(c1ccncc1F)N1CCN(CC2CC2)c2ncccc2C1 ZINC000096198928 463204641 /nfs/dbraw/zinc/20/46/41/463204641.db2.gz XPRWOQGRQUVONF-UHFFFAOYSA-N 0 0 326.375 2.488 40 0 EEABRN Cc1ccc(CN2CC3(C2)CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096202420 463208101 /nfs/dbraw/zinc/20/81/01/463208101.db2.gz LWVSMUYDANLRJS-UHFFFAOYSA-N 0 0 346.452 2.485 40 0 EEABRN COCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccs1 ZINC000096217385 463215636 /nfs/dbraw/zinc/21/56/36/463215636.db2.gz MYPMKDRLPAAURM-QGZVFWFLSA-N 0 0 336.457 2.382 40 0 EEABRN c1cc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)ccn1 ZINC000096219154 463216286 /nfs/dbraw/zinc/21/62/86/463216286.db2.gz OZVZLROUAGBIOQ-MRXNPFEDSA-N 0 0 325.416 2.267 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224489 463218650 /nfs/dbraw/zinc/21/86/50/463218650.db2.gz NHHLCROQAOKAHB-DNVCBOLYSA-N 0 0 328.412 2.069 40 0 EEABRN Cc1nc(CN2C[C@]3(CCN(c4ncc(C)cn4)C3)CC2=O)cs1 ZINC000096239358 463224285 /nfs/dbraw/zinc/22/42/85/463224285.db2.gz YLGUZOCRFVXJKM-QGZVFWFLSA-N 0 0 343.456 2.179 40 0 EEABRN CNC(=O)N1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244711 463225831 /nfs/dbraw/zinc/22/58/31/463225831.db2.gz DAHPQIHAQKPGTB-IBGZPJMESA-N 0 0 338.411 2.265 40 0 EEABRN COCCCN(Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000096406594 463240508 /nfs/dbraw/zinc/24/05/08/463240508.db2.gz LJQUAJFBIYNSEY-GOSISDBHSA-N 0 0 337.485 2.201 40 0 EEABRN CCN(C)c1cccc(NC(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 ZINC000096410632 463243464 /nfs/dbraw/zinc/24/34/64/463243464.db2.gz OAJQJWMPCROYLB-QGZVFWFLSA-N 0 0 344.463 2.301 40 0 EEABRN COCCS(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000096414223 463247133 /nfs/dbraw/zinc/24/71/33/463247133.db2.gz RVRBHYVDMUFZKT-UHFFFAOYSA-N 0 0 331.397 2.414 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415210 463247922 /nfs/dbraw/zinc/24/79/22/463247922.db2.gz NPOCXXAQKXTJAK-UWVGGRQHSA-N 0 0 349.378 2.142 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000096415511 463248486 /nfs/dbraw/zinc/24/84/86/463248486.db2.gz GPELQWWILPLEKD-ZWNOBZJWSA-N 0 0 343.349 2.166 40 0 EEABRN CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424732 463254970 /nfs/dbraw/zinc/25/49/70/463254970.db2.gz BQXRPILHIHOGTB-OLZOCXBDSA-N 0 0 325.478 2.302 40 0 EEABRN C[C@@H]1C[C@@H]1[C@H](NC(=O)CSCC(N)=O)c1ccc(Cl)cc1 ZINC000096426714 463255788 /nfs/dbraw/zinc/25/57/88/463255788.db2.gz JMNMONKAZWAHBC-MURWCNHISA-N 0 0 326.849 2.372 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N(C)CC(F)(F)C(F)(F)F)cn1 ZINC000096427945 463258193 /nfs/dbraw/zinc/25/81/93/463258193.db2.gz DTVIAFJOMDNIRC-UHFFFAOYSA-N 0 0 335.298 2.282 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC000096429568 463259567 /nfs/dbraw/zinc/25/95/67/463259567.db2.gz LACFBNMAFSKVNC-HUUCEWRRSA-N 0 0 344.415 2.196 40 0 EEABRN Cc1ccc(=O)n(CC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)n1 ZINC000096432992 463261424 /nfs/dbraw/zinc/26/14/24/463261424.db2.gz NQOSFMKMHSBMHJ-MRXNPFEDSA-N 0 0 331.391 2.074 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCCC2 ZINC000096432467 463261431 /nfs/dbraw/zinc/26/14/31/463261431.db2.gz ZSZXZUXMOSERSQ-CVEARBPZSA-N 0 0 328.416 2.436 40 0 EEABRN O=C(Nc1cccnc1)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000096434102 463261884 /nfs/dbraw/zinc/26/18/84/463261884.db2.gz QOIXDELXQSTBLO-IXDOHACOSA-N 0 0 336.395 2.360 40 0 EEABRN O=C(OCCCn1cccn1)c1cc(N2CCCC2=O)ccc1F ZINC000096442049 463266685 /nfs/dbraw/zinc/26/66/85/463266685.db2.gz QTPOZFQQQFQBDE-UHFFFAOYSA-N 0 0 331.347 2.396 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C12CCC2 ZINC000096440801 463266759 /nfs/dbraw/zinc/26/67/59/463266759.db2.gz UPBQDFNNFPUAAG-GJZGRUSLSA-N 0 0 334.416 2.090 40 0 EEABRN CC[C@@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)CCS1 ZINC000096440363 463267630 /nfs/dbraw/zinc/26/76/30/463267630.db2.gz JPNJVFBQSWJZFP-QRQCRPRQSA-N 0 0 340.514 2.472 40 0 EEABRN CN(CCCN1CCOCC1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443338 463268903 /nfs/dbraw/zinc/26/89/03/463268903.db2.gz TVRRGTAMYRHMMG-GOSISDBHSA-N 0 0 344.434 2.359 40 0 EEABRN C[C@H](C(=O)NCCCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096445215 463270162 /nfs/dbraw/zinc/27/01/62/463270162.db2.gz DKKDRDOHIRDOMO-SECBINFHSA-N 0 0 338.256 2.475 40 0 EEABRN CN(CC(F)(F)F)C(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000096451869 463273303 /nfs/dbraw/zinc/27/33/03/463273303.db2.gz XNYBBCCXIYRZSO-CYBMUJFWSA-N 0 0 349.374 2.500 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000096454197 463273877 /nfs/dbraw/zinc/27/38/77/463273877.db2.gz MGTMSLZLLSMZCO-HNNXBMFYSA-N 0 0 344.502 2.377 40 0 EEABRN C[C@](NC(=O)C[C@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454542 463274049 /nfs/dbraw/zinc/27/40/49/463274049.db2.gz WEYQKDOHHMTGIH-IUODEOHRSA-N 0 0 344.333 2.091 40 0 EEABRN COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1cc(C)on1 ZINC000096455966 463275373 /nfs/dbraw/zinc/27/53/73/463275373.db2.gz GMATZGVHYWHPKR-OAHLLOKOSA-N 0 0 345.330 2.118 40 0 EEABRN CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 ZINC000096455289 463275378 /nfs/dbraw/zinc/27/53/78/463275378.db2.gz VNVSUISCAWOVEH-AWEZNQCLSA-N 0 0 330.428 2.023 40 0 EEABRN NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000096456596 463276458 /nfs/dbraw/zinc/27/64/58/463276458.db2.gz MNPHZQJSCLTDHN-HNNXBMFYSA-N 0 0 343.814 2.448 40 0 EEABRN COC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000096473921 463280424 /nfs/dbraw/zinc/28/04/24/463280424.db2.gz DBBILNJFPFIZLY-GFCCVEGCSA-N 0 0 329.400 2.461 40 0 EEABRN C[C@@H](CCCO)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000096487674 463285277 /nfs/dbraw/zinc/28/52/77/463285277.db2.gz YDZMZQGYLMJYLR-WDEREUQCSA-N 0 0 342.798 2.109 40 0 EEABRN CNS(=O)(=O)c1cccc([C@H](C)NCc2noc3c2CCCC3)c1 ZINC000096491460 463286672 /nfs/dbraw/zinc/28/66/72/463286672.db2.gz JCEZDBSUPCPYKQ-LBPRGKRZSA-N 0 0 349.456 2.312 40 0 EEABRN C[C@@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000096490782 463287004 /nfs/dbraw/zinc/28/70/04/463287004.db2.gz BOUGOURLHCHXOR-PXAZEXFGSA-N 0 0 339.374 2.284 40 0 EEABRN C[C@H](Nc1ccc(CCn2cc(Br)cn2)cc1)C(N)=O ZINC000096501962 463291137 /nfs/dbraw/zinc/29/11/37/463291137.db2.gz JWMOZCOZXFIWDR-JTQLQIEISA-N 0 0 337.221 2.174 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(F)cc1 ZINC000096518161 463293029 /nfs/dbraw/zinc/29/30/29/463293029.db2.gz ZBNZDIHCHSGCGM-SECBINFHSA-N 0 0 329.574 2.341 40 0 EEABRN Cc1cccc2c(O)c(C(=O)N3CC[C@@H]4OCCC[C@H]4C3)cnc12 ZINC000097100874 463324042 /nfs/dbraw/zinc/32/40/42/463324042.db2.gz VBUHGNVPDUTTJY-BBRMVZONSA-N 0 0 326.396 2.478 40 0 EEABRN Cc1ccc(C)c(N(C)Cc2cnn([C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000097103987 463324730 /nfs/dbraw/zinc/32/47/30/463324730.db2.gz HBSXMNQDAJZKSE-MRXNPFEDSA-N 0 0 333.457 2.496 40 0 EEABRN CN1CCN(c2ncc(CNCc3cccc(Cl)c3F)cn2)CC1 ZINC000097228141 463351300 /nfs/dbraw/zinc/35/13/00/463351300.db2.gz ISIAVWMQFNIWNQ-UHFFFAOYSA-N 0 0 349.841 2.311 40 0 EEABRN O=C([C@@H]1CCCO1)N1C(=S)NC(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000033586157 463422208 /nfs/dbraw/zinc/42/22/08/463422208.db2.gz MSKWHSNCMAQUQP-JXPAYYINSA-N 0 0 346.364 2.019 40 0 EEABRN CCCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000033880781 463425715 /nfs/dbraw/zinc/42/57/15/463425715.db2.gz OJDARCQUNNDWPE-UHFFFAOYSA-N 0 0 346.880 2.408 40 0 EEABRN CN1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000040161666 463454053 /nfs/dbraw/zinc/45/40/53/463454053.db2.gz UPSGSDJBURCFQC-UHFFFAOYSA-N 0 0 341.392 2.490 40 0 EEABRN COc1cccc(-c2noc(CCC(=O)NCc3ccccn3)n2)c1 ZINC000041185270 463471948 /nfs/dbraw/zinc/47/19/48/463471948.db2.gz JHGKABXDCLYSAF-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2ccc(C)c(C)c2)n1 ZINC000057316295 463477350 /nfs/dbraw/zinc/47/73/50/463477350.db2.gz SSTHRWQOFDYXGZ-UHFFFAOYSA-N 0 0 332.433 2.217 40 0 EEABRN CCc1noc(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000071987036 463479970 /nfs/dbraw/zinc/47/99/70/463479970.db2.gz VYVWQABBPXPTMN-STQMWFEESA-N 0 0 344.415 2.494 40 0 EEABRN CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)C3CCCC3)C[C@@H]12 ZINC000072395840 463509971 /nfs/dbraw/zinc/50/99/71/463509971.db2.gz RETGHAGHYDBUBC-UZLBHIALSA-N 0 0 340.423 2.362 40 0 EEABRN COc1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)c2cccs2)cc1 ZINC000057730936 463514825 /nfs/dbraw/zinc/51/48/25/463514825.db2.gz XFSMZWJOAFGYFZ-HNNXBMFYSA-N 0 0 342.420 2.454 40 0 EEABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000058201441 463550892 /nfs/dbraw/zinc/55/08/92/463550892.db2.gz ONYKDJXFLLVJFG-UHFFFAOYSA-N 0 0 329.393 2.098 40 0 EEABRN COc1ccc(-c2cnc(CCC(=O)N3CCN(C)CC3)o2)cc1 ZINC000058300656 463574483 /nfs/dbraw/zinc/57/44/83/463574483.db2.gz DGCRNLMHSPNSHY-UHFFFAOYSA-N 0 0 329.400 2.057 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000042646133 463583007 /nfs/dbraw/zinc/58/30/07/463583007.db2.gz WHPZUARBAXVPQP-UHFFFAOYSA-N 0 0 330.359 2.440 40 0 EEABRN CSCC(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108533627 463611300 /nfs/dbraw/zinc/61/13/00/463611300.db2.gz OXWRBIZVTGNSJB-GOSISDBHSA-N 0 0 347.484 2.176 40 0 EEABRN CCCn1nc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1=O ZINC000058702393 463617637 /nfs/dbraw/zinc/61/76/37/463617637.db2.gz VMPSSVKDCQTPON-UHFFFAOYSA-N 0 0 329.400 2.371 40 0 EEABRN CCOC(=O)C1=C(C(C)=O)NN(c2ccc(Br)cc2)C1 ZINC000059416362 463642927 /nfs/dbraw/zinc/64/29/27/463642927.db2.gz DVQVEKUDNPVSOK-LBPRGKRZSA-N 0 0 339.189 2.393 40 0 EEABRN CCOC(=O)c1n[nH]c(-c2ccc(I)cc2)n1 ZINC000085385808 463648311 /nfs/dbraw/zinc/64/83/11/463648311.db2.gz LXPVCIWEHBYPLS-UHFFFAOYSA-N 0 0 343.124 2.253 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000044204457 463670441 /nfs/dbraw/zinc/67/04/41/463670441.db2.gz RFMJLPUJQXACBR-JTQLQIEISA-N 0 0 341.433 2.483 40 0 EEABRN Cn1cc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000044868427 463697233 /nfs/dbraw/zinc/69/72/33/463697233.db2.gz WCCAHDDHVQUDJQ-QPJJXVBHSA-N 0 0 344.846 2.431 40 0 EEABRN Cc1cc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228296 463756100 /nfs/dbraw/zinc/75/61/00/463756100.db2.gz FTIGTXQKRKIRQX-IBGZPJMESA-N 0 0 341.411 2.438 40 0 EEABRN COc1cccc([C@@H]2Cn3c(C)cnc3CN2C(=O)c2cc[nH]n2)c1 ZINC000257237394 463757423 /nfs/dbraw/zinc/75/74/23/463757423.db2.gz HGGPDDWYUGKLPS-INIZCTEOSA-N 0 0 337.383 2.321 40 0 EEABRN Nc1cnc(C[C@H]2CCCN(C(=O)CC3CCOCC3)CC2)cn1 ZINC000257286389 463763330 /nfs/dbraw/zinc/76/33/30/463763330.db2.gz PLKQTONQRUYFDL-AWEZNQCLSA-N 0 0 332.448 2.047 40 0 EEABRN CC(=O)N1CC[C@@]2(C)[C@@H]1CCCCCN2C(=O)Cc1ccccn1 ZINC000257299734 463768832 /nfs/dbraw/zinc/76/88/32/463768832.db2.gz RRHWJQCRUUWHQS-HKUYNNGSSA-N 0 0 329.444 2.406 40 0 EEABRN Cc1ccn(CCC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000257328158 463779360 /nfs/dbraw/zinc/77/93/60/463779360.db2.gz XEKQSNHHALRTIS-MRXNPFEDSA-N 0 0 327.432 2.104 40 0 EEABRN CCn1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1C ZINC000257328472 463780023 /nfs/dbraw/zinc/78/00/23/463780023.db2.gz XFTKUPFCUMSSMR-HKUYNNGSSA-N 0 0 343.427 2.256 40 0 EEABRN Cc1ccc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260894787 463791576 /nfs/dbraw/zinc/79/15/76/463791576.db2.gz FRVODTNLHJWGBE-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260894919 463791982 /nfs/dbraw/zinc/79/19/82/463791982.db2.gz GJKLBTYCFMPCSO-CHWSQXEVSA-N 0 0 342.461 2.010 40 0 EEABRN O=C(NC1CCN(C(=O)[C@H](O)c2ccccc2)CC1)c1cccs1 ZINC000195532314 464073074 /nfs/dbraw/zinc/07/30/74/464073074.db2.gz INVKODMKDYMQCN-MRXNPFEDSA-N 0 0 344.436 2.203 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)Nc2cnn(Cc3ccccn3)c2)[nH]n1 ZINC000195568714 464078849 /nfs/dbraw/zinc/07/88/49/464078849.db2.gz YTSQUJHJFZXOQX-LBPRGKRZSA-N 0 0 339.403 2.111 40 0 EEABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222823001 464133098 /nfs/dbraw/zinc/13/30/98/464133098.db2.gz PKKYPWDONRRWBT-BLLLJJGKSA-N 0 0 338.835 2.372 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CSCc2ccccc2F)CC1 ZINC000222698598 464133362 /nfs/dbraw/zinc/13/33/62/464133362.db2.gz LOHNBNHWMOGRKR-UHFFFAOYSA-N 0 0 340.420 2.360 40 0 EEABRN Cc1cc(C)c(NC(=O)NCCOCCO)cc1Br ZINC000187539538 464138249 /nfs/dbraw/zinc/13/82/49/464138249.db2.gz JJYFXUUYXFDFFM-UHFFFAOYSA-N 0 0 331.210 2.196 40 0 EEABRN CC(C)(C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223672571 464145656 /nfs/dbraw/zinc/14/56/56/464145656.db2.gz GSGPGODGLXCVER-UHFFFAOYSA-N 0 0 332.853 2.016 40 0 EEABRN COc1ccc(S(=O)(=O)[N-]c2nnc(SC)s2)cc1OC ZINC000224034537 464148407 /nfs/dbraw/zinc/14/84/07/464148407.db2.gz UOJFYJDNFVAONZ-UHFFFAOYSA-N 0 0 347.443 2.078 40 0 EEABRN CCN(CC)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224986400 464152647 /nfs/dbraw/zinc/15/26/47/464152647.db2.gz YESVGKNDFUNWEH-UHFFFAOYSA-N 0 0 348.415 2.379 40 0 EEABRN COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000224855955 464152810 /nfs/dbraw/zinc/15/28/10/464152810.db2.gz PAYIPBHJGMLAPQ-UHFFFAOYSA-N 0 0 335.381 2.307 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)c(C)o1 ZINC000225401033 464156928 /nfs/dbraw/zinc/15/69/28/464156928.db2.gz LXAHRRSAKAWMPF-CYBMUJFWSA-N 0 0 330.388 2.046 40 0 EEABRN CCOC1(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3C2)CCCC1 ZINC000225463377 464162341 /nfs/dbraw/zinc/16/23/41/464162341.db2.gz KBCAOVCPGRRXEN-CQSZACIVSA-N 0 0 330.428 2.383 40 0 EEABRN COc1ccc(CCNc2cc(N3CCOCC3)ncn2)c(F)c1 ZINC000225490640 464164829 /nfs/dbraw/zinc/16/48/29/464164829.db2.gz LGTRXJCYOUQLMF-UHFFFAOYSA-N 0 0 332.379 2.116 40 0 EEABRN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000225485678 464165313 /nfs/dbraw/zinc/16/53/13/464165313.db2.gz FLULPMQFSNKFLO-OAHLLOKOSA-N 0 0 343.431 2.477 40 0 EEABRN COCCN(C[C@@H]1CC=CCC1)c1cc(N2CCOCC2)ncn1 ZINC000225492206 464166189 /nfs/dbraw/zinc/16/61/89/464166189.db2.gz WGDOSDBVUXSULY-MRXNPFEDSA-N 0 0 332.448 2.122 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1CCC([C@@H](C)NC(C)=O)CC1 ZINC000225523677 464169638 /nfs/dbraw/zinc/16/96/38/464169638.db2.gz SOFDRIUPDBXOJH-CYBMUJFWSA-N 0 0 338.473 2.221 40 0 EEABRN Cn1nc(C2CC2)cc1N1CCN(C(=O)NCc2cccs2)CC1 ZINC000225570469 464172296 /nfs/dbraw/zinc/17/22/96/464172296.db2.gz DWFUTPJDDDNDHQ-UHFFFAOYSA-N 0 0 345.472 2.391 40 0 EEABRN CO[C@H](CNC(=O)NC1CCN(c2nccs2)CC1)C(C)(C)C ZINC000225589700 464173962 /nfs/dbraw/zinc/17/39/62/464173962.db2.gz BZZVREFDVQEBQY-CYBMUJFWSA-N 0 0 340.493 2.472 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)n1cncn1 ZINC000180341430 464290085 /nfs/dbraw/zinc/29/00/85/464290085.db2.gz NOMQXYDGELFNIJ-GHMZBOCLSA-N 0 0 337.786 2.027 40 0 EEABRN Cc1cc(N[C@H](C)C(=O)N2CCNC2=O)nn1-c1ccccc1Cl ZINC000188619480 464325741 /nfs/dbraw/zinc/32/57/41/464325741.db2.gz ACLVROOPBKMBHQ-LLVKDONJSA-N 0 0 347.806 2.186 40 0 EEABRN O=C(Nc1cccc(-n2ccnn2)c1)C1CCN(CC(F)F)CC1 ZINC000281257136 464389556 /nfs/dbraw/zinc/38/95/56/464389556.db2.gz OTWRFTXBZJFZNI-UHFFFAOYSA-N 0 0 335.358 2.183 40 0 EEABRN CC(C)(C)n1cc(NC(=O)N2CCC(Cn3cncn3)CC2)cn1 ZINC000189045277 464422303 /nfs/dbraw/zinc/42/23/03/464422303.db2.gz SOCCULIDDAWCNN-UHFFFAOYSA-N 0 0 331.424 2.174 40 0 EEABRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccnn1C)CCC2 ZINC000241720944 464455037 /nfs/dbraw/zinc/45/50/37/464455037.db2.gz QTOUJPMQOKKSOV-NSHDSACASA-N 0 0 340.474 2.137 40 0 EEABRN C[C@H]1CCSCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000189526007 464525718 /nfs/dbraw/zinc/52/57/18/464525718.db2.gz XKYYLHZUDDLMBH-QWHCGFSZSA-N 0 0 338.452 2.336 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)nc1 ZINC000247532383 464692168 /nfs/dbraw/zinc/69/21/68/464692168.db2.gz PDOODYKWFGVFDX-ZDUSSCGKSA-N 0 0 329.379 2.108 40 0 EEABRN C[C@H]1COc2ccccc2CN1C(=O)CCCCN1CCOCC1 ZINC000272873642 464692466 /nfs/dbraw/zinc/69/24/66/464692466.db2.gz WERQHBNRPXBFPM-INIZCTEOSA-N 0 0 332.444 2.299 40 0 EEABRN CCOC[C@@H](C)OC(=O)c1cnn2cc(Br)cnc12 ZINC000190734072 464712048 /nfs/dbraw/zinc/71/20/48/464712048.db2.gz LYSUEKVAJMCQLV-MRVPVSSYSA-N 0 0 328.166 2.074 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNc2ccccn2)no1 ZINC000247919997 464714608 /nfs/dbraw/zinc/71/46/08/464714608.db2.gz NRANNBXQGJWLKA-HNNXBMFYSA-N 0 0 328.416 2.471 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000247942014 464716490 /nfs/dbraw/zinc/71/64/90/464716490.db2.gz QARXVEIJFBYWOW-CYBMUJFWSA-N 0 0 327.409 2.256 40 0 EEABRN CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)ncn1 ZINC000248113608 464730762 /nfs/dbraw/zinc/73/07/62/464730762.db2.gz LABXEINKDDPWTN-CQSZACIVSA-N 0 0 343.456 2.081 40 0 EEABRN C[C@@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC000191686769 464824762 /nfs/dbraw/zinc/82/47/62/464824762.db2.gz OJRRJEVSPZMMAH-JMCQJSRRSA-N 0 0 339.754 2.477 40 0 EEABRN CCOc1ccc(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cn1 ZINC000192319174 464905432 /nfs/dbraw/zinc/90/54/32/464905432.db2.gz AUCNABSEHFPTEC-HNNXBMFYSA-N 0 0 345.403 2.302 40 0 EEABRN CC(C)SCCN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000252480303 464960639 /nfs/dbraw/zinc/96/06/39/464960639.db2.gz BZOIXJMQVYGCGZ-IAGOWNOFSA-N 0 0 341.565 2.441 40 0 EEABRN CCOc1ccccc1CN1CCN(Cc2ncnn2CC)[C@H](C)C1 ZINC000252492925 464968538 /nfs/dbraw/zinc/96/85/38/464968538.db2.gz MXRFIKZVTXVAFR-MRXNPFEDSA-N 0 0 343.475 2.403 40 0 EEABRN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000252571674 464983630 /nfs/dbraw/zinc/98/36/30/464983630.db2.gz YHIFRGAPGZMBKX-VKJFTORMSA-N 0 0 342.443 2.405 40 0 EEABRN CCO[C@@H]1CSC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000253383472 464996111 /nfs/dbraw/zinc/99/61/11/464996111.db2.gz LRTFOCVDYOAWKA-AWEZNQCLSA-N 0 0 341.498 2.187 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)o1 ZINC000253416613 465004556 /nfs/dbraw/zinc/00/45/56/465004556.db2.gz RURBOKAXJFAGMO-IAOVAPTHSA-N 0 0 335.448 2.024 40 0 EEABRN Cc1nc([C@@H]2CCCN2Cc2nnnn2CC2CCOCC2)cs1 ZINC000253418461 465005796 /nfs/dbraw/zinc/00/57/96/465005796.db2.gz RJAWBTXZRNJVLV-HNNXBMFYSA-N 0 0 348.476 2.202 40 0 EEABRN Cc1nc2c(c(N3CCC[C@H]([C@@H](O)c4nccn4C)C3)n1)CCCC2 ZINC000253425700 465010719 /nfs/dbraw/zinc/01/07/19/465010719.db2.gz BOWGPBZPOLJZER-WMLDXEAASA-N 0 0 341.459 2.347 40 0 EEABRN O=S1(=O)CC[C@@H](CN2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000253430988 465013286 /nfs/dbraw/zinc/01/32/86/465013286.db2.gz GHMLEYPFOAKBOM-ZDUSSCGKSA-N 0 0 343.876 2.058 40 0 EEABRN Cc1cnc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cn1 ZINC000253432603 465015008 /nfs/dbraw/zinc/01/50/08/465015008.db2.gz LOPSCEVKUFSUIA-MJGOQNOKSA-N 0 0 343.402 2.428 40 0 EEABRN NC(=O)c1cccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000332271629 466482110 /nfs/dbraw/zinc/48/21/10/466482110.db2.gz FJYBWTTUWVGNDV-UHFFFAOYSA-N 0 0 343.427 2.435 40 0 EEABRN CN1C[C@@H]2N(C(=O)c3ccno3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306141881 466493400 /nfs/dbraw/zinc/49/34/00/466493400.db2.gz WIYLBMPVAMXKTN-LPHOPBHVSA-N 0 0 339.395 2.079 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCOCc1ccccn1)C1(F)CC1 ZINC000306139292 466493860 /nfs/dbraw/zinc/49/38/60/466493860.db2.gz SUBZQTZDPDPCMQ-CQSZACIVSA-N 0 0 334.391 2.108 40 0 EEABRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc2c(c1)OCO2 ZINC000408602032 466682018 /nfs/dbraw/zinc/68/20/18/466682018.db2.gz AAFCPNNBBNDDMZ-HNNXBMFYSA-N 0 0 347.440 2.077 40 0 EEABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C(N)=O)cc1 ZINC000409244670 466687070 /nfs/dbraw/zinc/68/70/70/466687070.db2.gz HBEKQIDIADNNTM-ZHACJKMWSA-N 0 0 326.352 2.455 40 0 EEABRN COC(=O)c1cc(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)no1 ZINC000390834186 467414220 /nfs/dbraw/zinc/41/42/20/467414220.db2.gz UDYOUVLLUPKEFL-LBPRGKRZSA-N 0 0 344.367 2.320 40 0 EEABRN CCS(=O)(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000390835235 467415012 /nfs/dbraw/zinc/41/50/12/467415012.db2.gz HHHHGOYCKOUGQZ-UHFFFAOYSA-N 0 0 344.234 2.074 40 0 EEABRN C[C@@H](C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)n1cncn1 ZINC000390835390 467415190 /nfs/dbraw/zinc/41/51/90/467415190.db2.gz MGNBXEIOHGBHCY-ZANVPECISA-N 0 0 343.214 2.386 40 0 EEABRN O=C(c1ccnc(C2CC2)n1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000601651413 468951826 /nfs/dbraw/zinc/95/18/26/468951826.db2.gz OGLPREXOQDAZNK-UHFFFAOYSA-N 0 0 343.818 2.365 40 0 EEABRN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc2n(n1)CCCC2 ZINC000585090085 468961637 /nfs/dbraw/zinc/96/16/37/468961637.db2.gz QNQZYGMZMFLGDK-QGZVFWFLSA-N 0 0 329.448 2.143 40 0 EEABRN Cc1c(CN2CCn3c(CCOCC4CC4)cnc3[C@H]2C)cnn1C ZINC000585096804 468964642 /nfs/dbraw/zinc/96/46/42/468964642.db2.gz AWGRWLLHADZWCA-OAHLLOKOSA-N 0 0 343.475 2.471 40 0 EEABRN Cc1ccc(CN2Cc3ncn(C)c3C[C@@H]2COc2ncccn2)o1 ZINC000585095022 468964739 /nfs/dbraw/zinc/96/47/39/468964739.db2.gz ZZLPANWMGGJHDD-CQSZACIVSA-N 0 0 339.399 2.117 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)c2cc(C)oc2C)C1 ZINC000585099183 468967239 /nfs/dbraw/zinc/96/72/39/468967239.db2.gz RQTHYYKXXWQIHI-AWEZNQCLSA-N 0 0 329.400 2.106 40 0 EEABRN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]12CCCN(c1cnccn1)CC2 ZINC000585100705 468969464 /nfs/dbraw/zinc/96/94/64/468969464.db2.gz UGLNWAMGJLHHRN-TXPKVOOTSA-N 0 0 344.459 2.253 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCOc1ccccn1)N1CCCC1 ZINC000585102958 468970795 /nfs/dbraw/zinc/97/07/95/468970795.db2.gz MDIYXTSIIMAEDG-OAHLLOKOSA-N 0 0 331.416 2.157 40 0 EEABRN O=C(Cc1cccc(F)c1F)N1CC[C@@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000585107681 468972065 /nfs/dbraw/zinc/97/20/65/468972065.db2.gz RYKZBJKIDRWIBW-HUUCEWRRSA-N 0 0 334.366 2.119 40 0 EEABRN CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000585139605 468988425 /nfs/dbraw/zinc/98/84/25/468988425.db2.gz OVZQJTBEUWCNHW-RYUDHWBXSA-N 0 0 325.352 2.054 40 0 EEABRN COc1cc(NC(=O)N[C@H](c2ccccc2)C(C)(C)CO)ncn1 ZINC000585140334 468988872 /nfs/dbraw/zinc/98/88/72/468988872.db2.gz BUDRDDJXPPZQAA-OAHLLOKOSA-N 0 0 330.388 2.367 40 0 EEABRN O=C([C@H]1Cc2ccccc2CN1C(=O)c1cccnc1)N1CCCC1 ZINC000585139820 468988916 /nfs/dbraw/zinc/98/89/16/468988916.db2.gz XFTKPEFHHOKLJA-GOSISDBHSA-N 0 0 335.407 2.271 40 0 EEABRN Cn1ccc(C(=O)N2CC(Cc3cccc(Br)c3)C2)n1 ZINC000585140319 468989007 /nfs/dbraw/zinc/98/90/07/468989007.db2.gz BRYJYMFOKYARJY-UHFFFAOYSA-N 0 0 334.217 2.497 40 0 EEABRN CC[C@@H](Sc1ccccc1)C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC000585141215 468990562 /nfs/dbraw/zinc/99/05/62/468990562.db2.gz RINOOWSGEAPVTF-GXTWGEPZSA-N 0 0 346.456 2.496 40 0 EEABRN CCOc1ccc(CNc2cc(S(N)(=O)=O)ccc2N(C)C)cc1 ZINC000585141681 468992226 /nfs/dbraw/zinc/99/22/26/468992226.db2.gz YYKCWVXWLPTIME-UHFFFAOYSA-N 0 0 349.456 2.411 40 0 EEABRN OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccc(F)cn2)CCO1 ZINC000585269513 468997747 /nfs/dbraw/zinc/99/77/47/468997747.db2.gz XTEXGHUIZVFNQZ-SFHVURJKSA-N 0 0 334.366 2.166 40 0 EEABRN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585275702 468998853 /nfs/dbraw/zinc/99/88/53/468998853.db2.gz DOPWKNMGFRRTIK-GJZGRUSLSA-N 0 0 347.802 2.044 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2nccn2C)C1 ZINC000585276266 469000853 /nfs/dbraw/zinc/00/08/53/469000853.db2.gz HLGDRPJQWAPIAZ-LJQANCHMSA-N 0 0 343.427 2.429 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585278310 469003547 /nfs/dbraw/zinc/00/35/47/469003547.db2.gz BSLVRHZGGCWKHE-SJLPKXTDSA-N 0 0 345.418 2.324 40 0 EEABRN COc1ncc(CN2CC[C@H](Cc3ccccc3F)[C@H](O)C2)cn1 ZINC000585278885 469004542 /nfs/dbraw/zinc/00/45/42/469004542.db2.gz IGNPXGVSSVAOGG-NVXWUHKLSA-N 0 0 331.391 2.050 40 0 EEABRN CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585278563 469004602 /nfs/dbraw/zinc/00/46/02/469004602.db2.gz UDJZCMJXERJZOK-GOSISDBHSA-N 0 0 348.374 2.361 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585289429 469010923 /nfs/dbraw/zinc/01/09/23/469010923.db2.gz QUUJLWPGWQELIA-FQEVSTJZSA-N 0 0 327.424 2.459 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000243011138 485536349 /nfs/dbraw/zinc/53/63/49/485536349.db2.gz HWAFQVXQTPXSKM-UHFFFAOYSA-N 0 0 340.351 2.370 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)n1 ZINC000390827654 485667564 /nfs/dbraw/zinc/66/75/64/485667564.db2.gz INZITHSBIWFNGM-QGZVFWFLSA-N 0 0 340.427 2.453 40 0 EEABRN OC1(CCNc2ncnc3nc[nH]c32)CCN(c2ccccc2)CC1 ZINC000631461238 485804314 /nfs/dbraw/zinc/80/43/14/485804314.db2.gz AWCSECOJQJWHNG-UHFFFAOYSA-N 0 0 338.415 2.138 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096045568 518084327 /nfs/dbraw/zinc/08/43/27/518084327.db2.gz AASZKWNTGHHZRU-ZDUSSCGKSA-N 0 0 332.429 2.136 40 0 EEABRN COC[C@@H](O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000096408652 522398329 /nfs/dbraw/zinc/39/83/29/522398329.db2.gz VPEIWWQULIOURU-NSHDSACASA-N 0 0 342.321 2.001 40 0 EEABRN CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccccc2F)n1 ZINC000257244992 534775706 /nfs/dbraw/zinc/77/57/06/534775706.db2.gz INRDCOGDYDQFOS-KRWDZBQOSA-N 0 0 342.374 2.229 40 0 EEABRN CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000225930910 535643310 /nfs/dbraw/zinc/64/33/10/535643310.db2.gz AYIWEKUFFQXPHK-AWEZNQCLSA-N 0 0 326.462 2.229 40 0 EEABRN CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)on1 ZINC000257265172 536114716 /nfs/dbraw/zinc/11/47/16/536114716.db2.gz LXPSCAMRLDPSNT-HOTGVXAUSA-N 0 0 348.374 2.421 40 0 EEABRN CNC(=O)C1(C(=O)Nc2nc3ccc4scnc4c3s2)CC1 ZINC000888299413 1193397702 /nfs/dbraw/zinc/39/77/02/1193397702.db2.gz ORMMPJFFQUUMCG-UHFFFAOYSA-N 0 0 332.410 2.371 40 0 EEABRN COc1cccc(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)c1 ZINC000929302977 1206463373 /nfs/dbraw/zinc/46/33/73/1206463373.db2.gz BTVLLZZINRKHFX-UHFFFAOYSA-N 0 0 348.353 2.385 40 0 EEABRN CC(C)[C@@H](O)CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000934778969 1208028053 /nfs/dbraw/zinc/02/80/53/1208028053.db2.gz RZHFWKOCZOLEAB-LBPRGKRZSA-N 0 0 327.222 2.468 40 0 EEABRN CCn1cc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)cn1 ZINC000028239176 1352374045 /nfs/dbraw/zinc/37/40/45/1352374045.db2.gz XMMWIIBWNBDSMK-UHFFFAOYSA-N 0 0 325.372 2.409 40 0 EEABRN CC[C@@H](C)NC(=O)Cn1c(=O)cc(C)nc1-c1ccc(OC)cc1 ZINC000067198530 1354092700 /nfs/dbraw/zinc/09/27/00/1354092700.db2.gz IHAHXFMTRYOKTE-GFCCVEGCSA-N 0 0 329.400 2.142 40 0 EEABRN O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCCC1)n1ccccc1=O ZINC000199403278 1406142630 /nfs/dbraw/zinc/14/26/30/1406142630.db2.gz HURRQULPGSSRPS-INIZCTEOSA-N 0 0 328.343 2.034 40 0 EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000004699969 210252411 /nfs/dbraw/zinc/25/24/11/210252411.db2.gz IYJHFAHODTYWBG-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN CCC(CC)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 ZINC000096259399 282147689 /nfs/dbraw/zinc/14/76/89/282147689.db2.gz IXJQUWCJHWYVPZ-UHFFFAOYSA-N 0 0 332.448 2.174 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004575183 210224712 /nfs/dbraw/zinc/22/47/12/210224712.db2.gz HBOSBBMQSRTJCP-FZMZJTMJSA-N 0 0 344.864 2.408 40 0 EEABRN CN1C[C@@H](C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1=O ZINC000184327662 529816850 /nfs/dbraw/zinc/81/68/50/529816850.db2.gz CXHCVYZHUGLOMP-VIFPVBQESA-N 0 0 335.310 2.253 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000177897956 232026775 /nfs/dbraw/zinc/02/67/75/232026775.db2.gz SJIJSPCOUSFOSK-HNNXBMFYSA-N 0 0 348.472 2.424 40 0 EEABRN CCCCNC(=S)N(CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004132593 210127326 /nfs/dbraw/zinc/12/73/26/210127326.db2.gz VWXUDPYMFUDSPJ-UHFFFAOYSA-N 0 0 347.484 2.305 40 0 EEABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000205762541 539656631 /nfs/dbraw/zinc/65/66/31/539656631.db2.gz GXWNSQFMSDXDMJ-AWNIVKPZSA-N 0 0 349.364 2.403 40 0 EEABRN O=C(N[C@@H]1COc2ccccc2C1=O)[C@H]1CCCN1c1ccccc1 ZINC000333008223 539800636 /nfs/dbraw/zinc/80/06/36/539800636.db2.gz PVNHYJAXTZAVGI-IAGOWNOFSA-N 0 0 336.391 2.416 40 0 EEABRN O=C(NCc1nnc2n1CCCCC2)c1cc(-c2ccccc2)n[nH]1 ZINC000040489520 213319396 /nfs/dbraw/zinc/31/93/96/213319396.db2.gz IQYHSOYBVKUKHR-UHFFFAOYSA-N 0 0 336.399 2.325 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCc2ccccn2)C1 ZINC000040480689 213315921 /nfs/dbraw/zinc/31/59/21/213315921.db2.gz SEAYKVPTUCHMTH-CQSZACIVSA-N 0 0 333.432 2.387 40 0 EEABRN Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 ZINC000040386781 213295532 /nfs/dbraw/zinc/29/55/32/213295532.db2.gz HIEPPLDXOOHXSI-JTQLQIEISA-N 0 0 333.779 2.145 40 0 EEABRN CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1 ZINC000070636735 215701359 /nfs/dbraw/zinc/70/13/59/215701359.db2.gz ZJBPVLJJMXIKPH-MRXNPFEDSA-N 0 0 325.430 2.109 40 0 EEABRN Cc1ccn(CC(=O)N[C@H]2CCCc3nc(-c4ccccn4)ncc32)n1 ZINC000071195920 215743470 /nfs/dbraw/zinc/74/34/70/215743470.db2.gz JAZOQWIRVBOTJD-HNNXBMFYSA-N 0 0 348.410 2.237 40 0 EEABRN CCOc1ccc(NC(=O)CSc2nnc3ncccn32)cc1 ZINC000035312386 213019800 /nfs/dbraw/zinc/01/98/00/213019800.db2.gz YGECUKFKSSTUBL-UHFFFAOYSA-N 0 0 329.385 2.254 40 0 EEABRN OCc1cc(Br)cc(I)c1O ZINC000034772917 212985907 /nfs/dbraw/zinc/98/59/07/212985907.db2.gz ANKMOTPIBVOVBA-UHFFFAOYSA-N 0 0 328.931 2.252 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cnc(Nc3cccc(C)n3)cn2)C1 ZINC000072362315 216168962 /nfs/dbraw/zinc/16/89/62/216168962.db2.gz DHYFZLWFPCUTGP-AWEZNQCLSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1cc(Oc2ccccc2)nc([C@H]2CCCN(CC(N)=O)C2)n1 ZINC000072361830 216168664 /nfs/dbraw/zinc/16/86/64/216168664.db2.gz YTSOZSIVODPGQN-AWEZNQCLSA-N 0 0 326.400 2.242 40 0 EEABRN COCCC(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374213 216177844 /nfs/dbraw/zinc/17/78/44/216177844.db2.gz YNCVVGBSRBYWOM-UHFFFAOYSA-N 0 0 341.415 2.358 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1nccnc1Nc1cccc(C)n1 ZINC000072384770 216185843 /nfs/dbraw/zinc/18/58/43/216185843.db2.gz VUPDWLWKGHECMZ-CYBMUJFWSA-N 0 0 327.388 2.234 40 0 EEABRN Cc1csc(CCNc2cc([C@@H]3CN(C)CCO3)nc(C)n2)n1 ZINC000072387895 216187966 /nfs/dbraw/zinc/18/79/66/216187966.db2.gz URGSEHAPLFTZPT-AWEZNQCLSA-N 0 0 333.461 2.208 40 0 EEABRN Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 ZINC000072396334 216193004 /nfs/dbraw/zinc/19/30/04/216193004.db2.gz SWJIUEQOLYBAOP-UHFFFAOYSA-N 0 0 341.411 2.498 40 0 EEABRN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C1=C(Cl)CCCC1 ZINC000072534993 216269828 /nfs/dbraw/zinc/26/98/28/216269828.db2.gz FRADEDCGRHTSMJ-SNVBAGLBSA-N 0 0 343.836 2.248 40 0 EEABRN Cc1ccccc1Cc1noc(CN[C@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000131303421 223220555 /nfs/dbraw/zinc/22/05/55/223220555.db2.gz MUGIZWSRHHALTI-GJZGRUSLSA-N 0 0 328.416 2.103 40 0 EEABRN Cc1nonc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 ZINC000072655352 216288973 /nfs/dbraw/zinc/28/89/73/216288973.db2.gz JOSLWISRQFYORA-JTQLQIEISA-N 0 0 334.763 2.331 40 0 EEABRN Cc1nonc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 ZINC000072655348 216289055 /nfs/dbraw/zinc/28/90/55/216289055.db2.gz JOSLWISRQFYORA-SNVBAGLBSA-N 0 0 334.763 2.331 40 0 EEABRN O=C1NCCN(Cc2nc(-c3ccco3)no2)[C@@H]1c1cccs1 ZINC000072799477 216308204 /nfs/dbraw/zinc/30/82/04/216308204.db2.gz PDBYELCRIUDBBO-CYBMUJFWSA-N 0 0 330.369 2.064 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3ncoc3-c3ccco3)CC2)S1 ZINC000073118994 216352254 /nfs/dbraw/zinc/35/22/54/216352254.db2.gz FORQGQXTMQFMAP-LLVKDONJSA-N 0 0 346.412 2.184 40 0 EEABRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1cccc2c1OCCO2 ZINC000073285783 216374192 /nfs/dbraw/zinc/37/41/92/216374192.db2.gz ZSEPUPUGROPCFK-NSHDSACASA-N 0 0 329.400 2.293 40 0 EEABRN CCN1CCN(C(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)CC1 ZINC000022521780 212305189 /nfs/dbraw/zinc/30/51/89/212305189.db2.gz ZXTVJUBNDJUNPA-CYBMUJFWSA-N 0 0 338.473 2.349 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)NCc1cccc(C)c1Br ZINC000195467864 240968379 /nfs/dbraw/zinc/96/83/79/240968379.db2.gz DJBZXWRYBLSGNC-JTQLQIEISA-N 0 0 336.251 2.212 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CSCc2ccc(F)cc2)CC1 ZINC000216453155 241194070 /nfs/dbraw/zinc/19/40/70/241194070.db2.gz JBLAICNFAIDFMZ-UHFFFAOYSA-N 0 0 340.420 2.360 40 0 EEABRN CSCC[C@@H]([NH2+]Cc1cnc(NCc2ccccc2)nc1)C(=O)[O-] ZINC000218770178 241343564 /nfs/dbraw/zinc/34/35/64/241343564.db2.gz QPOPYWPTOQIBPQ-OAHLLOKOSA-N 0 0 346.456 2.385 40 0 EEABRN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000225915624 242076769 /nfs/dbraw/zinc/07/67/69/242076769.db2.gz BCCRYLPCWQEUQO-UHFFFAOYSA-N 0 0 325.416 2.225 40 0 EEABRN COc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1Cl ZINC000225952985 242078679 /nfs/dbraw/zinc/07/86/79/242078679.db2.gz WWZITZBUSFYNNG-CQSZACIVSA-N 0 0 346.836 2.101 40 0 EEABRN Cc1cc(N2CCCC2)nc(NC(=S)NCc2cccnc2)n1 ZINC000225941356 242078987 /nfs/dbraw/zinc/07/89/87/242078987.db2.gz XAICJNAVZOUTRO-UHFFFAOYSA-N 0 0 328.445 2.267 40 0 EEABRN O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CCCC1 ZINC000225740964 242012896 /nfs/dbraw/zinc/01/28/96/242012896.db2.gz FXJWJZXTBQTWNH-UHFFFAOYSA-N 0 0 335.201 2.386 40 0 EEABRN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@H]2O1 ZINC000226627558 242107195 /nfs/dbraw/zinc/10/71/95/242107195.db2.gz BGKPLIMRLZNFRS-IUVQAAGXSA-N 0 0 341.363 2.121 40 0 EEABRN C[C@H](NC(=O)/C=C/c1cccc(O)c1)C(=O)N1CCc2ccccc21 ZINC000133156266 223392993 /nfs/dbraw/zinc/39/29/93/223392993.db2.gz UWEGLPABDIZQLK-HBWSCVEGSA-N 0 0 336.391 2.499 40 0 EEABRN CN(C(=O)c1n[nH]c2c1CCCCC2)[C@H](CC(N)=O)c1ccccc1 ZINC000253432284 243990694 /nfs/dbraw/zinc/99/06/94/243990694.db2.gz XREKFVIMOSZWBY-MRXNPFEDSA-N 0 0 340.427 2.367 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1sccc1C)C2 ZINC000253599620 244032082 /nfs/dbraw/zinc/03/20/82/244032082.db2.gz RSLWODHJJPOLQY-ZDUSSCGKSA-N 0 0 329.487 2.082 40 0 EEABRN CN(C)c1ccc(N2CCC(C)(C(=O)Nc3nccs3)CC2)nn1 ZINC000257201219 244121577 /nfs/dbraw/zinc/12/15/77/244121577.db2.gz AGTWYFIKFQUBQK-UHFFFAOYSA-N 0 0 346.460 2.244 40 0 EEABRN CN(C(=O)c1cnn(C)c1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257208396 244143428 /nfs/dbraw/zinc/14/34/28/244143428.db2.gz BLZXTRXNGZCTPY-KZNAEPCWSA-N 0 0 343.427 2.243 40 0 EEABRN Cc1ncccc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257212262 244152080 /nfs/dbraw/zinc/15/20/80/244152080.db2.gz CCORZPUUAOAGSC-MRXNPFEDSA-N 0 0 326.400 2.065 40 0 EEABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000020245502 212114983 /nfs/dbraw/zinc/11/49/83/212114983.db2.gz SJLAEJCIIJSNOQ-UHFFFAOYSA-N 0 0 333.413 2.182 40 0 EEABRN COc1ccccc1[C@@H]1CN(c2ccnc(C)n2)CCN1C(C)=O ZINC000257229150 244207248 /nfs/dbraw/zinc/20/72/48/244207248.db2.gz FWWHIDQSYZSFBR-INIZCTEOSA-N 0 0 326.400 2.203 40 0 EEABRN Cn1nccc1C(=O)N1CCC2(C[C@@H](Cc3ccccn3)CO2)CC1 ZINC000257242430 244248792 /nfs/dbraw/zinc/24/87/92/244248792.db2.gz ICLMZUOUQYEOSS-OAHLLOKOSA-N 0 0 340.427 2.069 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)nc(C)n1 ZINC000257245518 244255783 /nfs/dbraw/zinc/25/57/83/244255783.db2.gz IPWQSGNDJKFGON-KRWDZBQOSA-N 0 0 329.375 2.375 40 0 EEABRN CNC(=O)c1cccc([C@H]2CN(Cc3cccc(C)n3)CCN2C)c1 ZINC000257237977 244235663 /nfs/dbraw/zinc/23/56/63/244235663.db2.gz HJBQKHUXBRDOSX-LJQANCHMSA-N 0 0 338.455 2.238 40 0 EEABRN Fc1ccnc(Nc2nccc([C@@H]3CCN(Cc4c[nH]cn4)C3)n2)c1 ZINC000257241531 244243874 /nfs/dbraw/zinc/24/38/74/244243874.db2.gz HYIQJUYOMCHPPJ-GFCCVEGCSA-N 0 0 339.378 2.467 40 0 EEABRN Cc1ncsc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257259666 244294144 /nfs/dbraw/zinc/29/41/44/244294144.db2.gz KZKYROBYPOHVMW-RBSFLKMASA-N 0 0 347.440 2.280 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257249926 244265840 /nfs/dbraw/zinc/26/58/40/244265840.db2.gz JKGXONUSLQCJGS-ZDUSSCGKSA-N 0 0 333.413 2.085 40 0 EEABRN O=S(=O)(C1CCCC1)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257255376 244279346 /nfs/dbraw/zinc/27/93/46/244279346.db2.gz KHENNBZYDSFBKU-ZDUSSCGKSA-N 0 0 334.445 2.410 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 ZINC000257266488 244363675 /nfs/dbraw/zinc/36/36/75/244363675.db2.gz MDFNUHHUVXKZCG-AWEZNQCLSA-N 0 0 346.456 2.339 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257260687 244348535 /nfs/dbraw/zinc/34/85/35/244348535.db2.gz LDXFOUCHMDVVLQ-CQSZACIVSA-N 0 0 334.383 2.282 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257280871 244406841 /nfs/dbraw/zinc/40/68/41/244406841.db2.gz OMTMDUCUQMLACD-LLVKDONJSA-N 0 0 328.372 2.069 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@@H](OC)[C@]2(CCCO2)C1 ZINC000257304570 244472880 /nfs/dbraw/zinc/47/28/80/244472880.db2.gz SMGSCMPUNATTJN-MJGOQNOKSA-N 0 0 348.443 2.212 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257311942 244492846 /nfs/dbraw/zinc/49/28/46/244492846.db2.gz ULSGJFJDLYAXBR-HNNXBMFYSA-N 0 0 343.402 2.184 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)Cn1c(=O)oc2ccccc21 ZINC000257318198 244510223 /nfs/dbraw/zinc/51/02/23/244510223.db2.gz VMXJVHMEQBQDRO-CQSZACIVSA-N 0 0 340.383 2.380 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257318777 244512326 /nfs/dbraw/zinc/51/23/26/244512326.db2.gz VPHVEUHEWKEYNP-OAHLLOKOSA-N 0 0 344.415 2.118 40 0 EEABRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868851 212077766 /nfs/dbraw/zinc/07/77/66/212077766.db2.gz HRLCNZFJVOYUFX-QWHCGFSZSA-N 0 0 344.502 2.454 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000093441195 284179380 /nfs/dbraw/zinc/17/93/80/284179380.db2.gz CGMMKLAHEZUIEM-IRXDYDNUSA-N 0 0 343.427 2.104 40 0 EEABRN Cc1ncncc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746669 212061374 /nfs/dbraw/zinc/06/13/74/212061374.db2.gz LCNLZRNMDJXSAX-SFHVURJKSA-N 0 0 330.432 2.086 40 0 EEABRN CC(=O)N1CCC(c2nnc3n2CCN(C[C@@H]2CC=CCC2)C3)CC1 ZINC000019711248 212057223 /nfs/dbraw/zinc/05/72/23/212057223.db2.gz NNTCSKVQYNOQPX-MRXNPFEDSA-N 0 0 343.475 2.176 40 0 EEABRN CCOc1nc(N)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c21 ZINC000019624375 212051509 /nfs/dbraw/zinc/05/15/09/212051509.db2.gz LFXZGTPPWDJCMS-UHFFFAOYSA-N 0 0 344.396 2.494 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(C)c(C)c(=O)[nH]1 ZINC000019555504 212041650 /nfs/dbraw/zinc/04/16/50/212041650.db2.gz PNRXUQOWCUMVAJ-OAHLLOKOSA-N 0 0 341.411 2.302 40 0 EEABRN Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cn1cncn1 ZINC000019237628 212009130 /nfs/dbraw/zinc/00/91/30/212009130.db2.gz RAOZDCWXCGZMDE-AWEZNQCLSA-N 0 0 327.413 2.143 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2F)cc1 ZINC000019171098 212003502 /nfs/dbraw/zinc/00/35/02/212003502.db2.gz MEMLGXXZAQBSAB-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN COc1cccc(-n2ccnc2S(=O)(=O)Cc2c(C)noc2C)c1 ZINC000078441976 217053126 /nfs/dbraw/zinc/05/31/26/217053126.db2.gz CBFSLIACIPNWHV-UHFFFAOYSA-N 0 0 347.396 2.460 40 0 EEABRN O=C(CCCNC(=O)NCc1cccnc1)N1CCc2ccccc21 ZINC000078924454 217148856 /nfs/dbraw/zinc/14/88/56/217148856.db2.gz LQEGAGRVIUGQRB-UHFFFAOYSA-N 0 0 338.411 2.250 40 0 EEABRN CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000016637380 211922610 /nfs/dbraw/zinc/92/26/10/211922610.db2.gz RWIRDZMYGPVPTO-ZDUSSCGKSA-N 0 0 342.461 2.011 40 0 EEABRN Cc1cc(NC(=O)CSc2nccn2Cc2ccccn2)n(C)n1 ZINC000079037929 217180058 /nfs/dbraw/zinc/18/00/58/217180058.db2.gz WNMGJTQILRCKHS-UHFFFAOYSA-N 0 0 342.428 2.099 40 0 EEABRN Cc1ccccc1-n1nccc1NC(=O)CS(=O)(=O)C1CCCC1 ZINC000079094898 217190884 /nfs/dbraw/zinc/19/08/84/217190884.db2.gz ARTWMJPZSZEIJG-UHFFFAOYSA-N 0 0 347.440 2.477 40 0 EEABRN O=c1n(CCCNc2cccc(C(F)(F)F)n2)nc2n1CCCC2 ZINC000079311205 217206925 /nfs/dbraw/zinc/20/69/25/217206925.db2.gz SBPIDHXYMWRIJH-UHFFFAOYSA-N 0 0 341.337 2.297 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccccc2O)C1=O)N1CCCCC1 ZINC000015052782 211792467 /nfs/dbraw/zinc/79/24/67/211792467.db2.gz UEBGXZUGDKZSSB-UVTDQMKNSA-N 0 0 346.408 2.441 40 0 EEABRN CN1CCO[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000081264738 217376046 /nfs/dbraw/zinc/37/60/46/217376046.db2.gz DFBWSIDCMLPUDZ-LJQANCHMSA-N 0 0 340.423 2.212 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC000096055468 296264530 /nfs/dbraw/zinc/26/45/30/296264530.db2.gz FWQUZWZOFHFPQI-HYVNUMGLSA-N 0 0 339.395 2.175 40 0 EEABRN COc1cccc(C(=O)N2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000012365039 211357693 /nfs/dbraw/zinc/35/76/93/211357693.db2.gz OBPHQKLOESAPSA-CYBMUJFWSA-N 0 0 337.383 2.381 40 0 EEABRN C[C@@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1ccc2c(c1)CCC2 ZINC000012194889 211317279 /nfs/dbraw/zinc/31/72/79/211317279.db2.gz VQOKUZCUXWGSLG-NEPJUHHUSA-N 0 0 343.427 2.071 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)on1 ZINC000012186748 211313450 /nfs/dbraw/zinc/31/34/50/211313450.db2.gz LKRUHXQVOMGSTR-UHFFFAOYSA-N 0 0 325.372 2.285 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(O)(c2ccccn2)CC1 ZINC000012222002 211323944 /nfs/dbraw/zinc/32/39/44/211323944.db2.gz WSACHKCPNDTRPE-IYBDPMFKSA-N 0 0 331.460 2.155 40 0 EEABRN COc1cccc2c1cc(C(=O)NC[C@@H](C)n1nc(C)nc1C)n2C ZINC000012148384 211307977 /nfs/dbraw/zinc/30/79/77/211307977.db2.gz KMWUAZAKUIZJGI-LLVKDONJSA-N 0 0 341.415 2.386 40 0 EEABRN O=C(c1cccnc1)N1[C@@H]2CC[C@H]1Cc1nc3ccccc3c(=O)n1C2 ZINC000072327381 284717557 /nfs/dbraw/zinc/71/75/57/284717557.db2.gz NYNMPWGNUBSGHA-LSDHHAIUSA-N 0 0 346.390 2.021 40 0 EEABRN CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NC(=O)C1CC1 ZINC000010382171 211169256 /nfs/dbraw/zinc/16/92/56/211169256.db2.gz CVCIJAJSQLOIPK-UHFFFAOYSA-N 0 0 343.387 2.113 40 0 EEABRN COCCCn1c(=O)[nH]c(=O)c2c(-c3ccccc3Cl)ccnc21 ZINC000010157276 211151522 /nfs/dbraw/zinc/15/15/22/211151522.db2.gz HJLKMHBXFDIVQY-UHFFFAOYSA-N 0 0 345.786 2.442 40 0 EEABRN CC(C)CC1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000095439875 218384024 /nfs/dbraw/zinc/38/40/24/218384024.db2.gz JATSXKWUWJIQBR-UHFFFAOYSA-N 0 0 342.461 2.428 40 0 EEABRN NC(=O)NCCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000095446788 218390586 /nfs/dbraw/zinc/39/05/86/218390586.db2.gz QQEKHTXOBVWAME-GOSISDBHSA-N 0 0 337.423 2.414 40 0 EEABRN O=C(CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000095450370 218394456 /nfs/dbraw/zinc/39/44/56/218394456.db2.gz JQQLNMISBMIVGT-CQSZACIVSA-N 0 0 345.226 2.156 40 0 EEABRN c1cnc(N2CCC3(CO[C@H](COCC4CCOCC4)C3)CC2)nc1 ZINC000096106067 218597766 /nfs/dbraw/zinc/59/77/66/218597766.db2.gz PJMFYTYCUKQTMJ-KRWDZBQOSA-N 0 0 347.459 2.295 40 0 EEABRN O=C(c1cccnc1)N1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158337 218632591 /nfs/dbraw/zinc/63/25/91/218632591.db2.gz CDGJJYSNXFUSBN-GOSISDBHSA-N 0 0 341.390 2.143 40 0 EEABRN CC(C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680779 210679882 /nfs/dbraw/zinc/67/98/82/210679882.db2.gz WEMAHGRDEYBDGH-UHFFFAOYSA-N 0 0 330.475 2.451 40 0 EEABRN Cc1nc(CN2CCc3c(CNC(=O)C4CC4)cncc3C2)cs1 ZINC000096189496 218658956 /nfs/dbraw/zinc/65/89/56/218658956.db2.gz AJFLXONRDMCJIX-UHFFFAOYSA-N 0 0 342.468 2.431 40 0 EEABRN Cc1occc1C(=O)N1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096221582 218696871 /nfs/dbraw/zinc/69/68/71/218696871.db2.gz MVUJKZCWGMVPER-AWEZNQCLSA-N 0 0 342.399 2.254 40 0 EEABRN CC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c1 ZINC000006176083 210597736 /nfs/dbraw/zinc/59/77/36/210597736.db2.gz PCQOKFBQCDZDPV-GFCCVEGCSA-N 0 0 346.408 2.195 40 0 EEABRN CCNC(=O)NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096296430 218740005 /nfs/dbraw/zinc/74/00/05/218740005.db2.gz BPTDWTTVDUVHML-ZDUSSCGKSA-N 0 0 334.807 2.421 40 0 biogenic,in-vitro EEABRN C[C@@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)N1CCc2ccccc21 ZINC000096413281 218770371 /nfs/dbraw/zinc/77/03/71/218770371.db2.gz NVMOATXMONBEQF-SMDDNHRTSA-N 0 0 345.365 2.050 40 0 EEABRN CC(C)[C@H](CNC(=O)N1CCS(=O)(=O)C[C@@H]1C)c1ccccc1 ZINC000096417629 218779317 /nfs/dbraw/zinc/77/93/17/218779317.db2.gz SIPIXBHKYYLADY-HOCLYGCPSA-N 0 0 338.473 2.255 40 0 EEABRN Brc1cnc(NCCCOCC2CCOCC2)nc1 ZINC000096419456 218782992 /nfs/dbraw/zinc/78/29/92/218782992.db2.gz VMHSVHKMFWZYEW-UHFFFAOYSA-N 0 0 330.226 2.484 40 0 EEABRN CN(Cc1cnn(C)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000096447904 218830380 /nfs/dbraw/zinc/83/03/80/218830380.db2.gz UIGODBRYYJFXRZ-UHFFFAOYSA-N 0 0 334.379 2.192 40 0 EEABRN O=C1C[C@]2(CCSC2)C(=O)N1CCN1CCCc2ccccc21 ZINC000096489274 218866490 /nfs/dbraw/zinc/86/64/90/218866490.db2.gz JCIWCTSMHCSHBN-SFHVURJKSA-N 0 0 330.453 2.321 40 0 EEABRN O=C(NCCc1nnc[nH]1)Nc1cc(F)ccc1N1CCCCC1 ZINC000096476003 218853472 /nfs/dbraw/zinc/85/34/72/218853472.db2.gz BJBNTWLHSYIIRZ-UHFFFAOYSA-N 0 0 332.383 2.298 40 0 EEABRN CC(C)OCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096501208 218877106 /nfs/dbraw/zinc/87/71/06/218877106.db2.gz APFIAAPBVRCHQS-UHFFFAOYSA-N 0 0 326.340 2.146 40 0 EEABRN O=C(N[C@@H]1CCc2c1cccc2F)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103016 218954527 /nfs/dbraw/zinc/95/45/27/218954527.db2.gz CSZSCFXGVNASQA-QGZVFWFLSA-N 0 0 345.418 2.467 40 0 EEABRN CCCc1nc2c(nnn2Cc2ccccc2)c(NCCOC)n1 ZINC000004968058 210343715 /nfs/dbraw/zinc/34/37/15/210343715.db2.gz YSASKLFVZLHROQ-UHFFFAOYSA-N 0 0 326.404 2.280 40 0 EEABRN CC(C)(C)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000004888749 210313783 /nfs/dbraw/zinc/31/37/83/210313783.db2.gz KHNVOHWLHYXALW-UHFFFAOYSA-N 0 0 338.473 2.143 40 0 EEABRN NC(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000004859117 210303692 /nfs/dbraw/zinc/30/36/92/210303692.db2.gz MIMPPAGXWMFIKE-UHFFFAOYSA-N 0 0 346.456 2.063 40 0 EEABRN CC1([C@H]2CCCN(C(=O)Cc3noc4ccccc43)C2)OCCO1 ZINC000097372392 219016561 /nfs/dbraw/zinc/01/65/61/219016561.db2.gz YSJFKLIFXXMYKO-ZDUSSCGKSA-N 0 0 330.384 2.372 40 0 EEABRN CCN(C(=O)c1ccccc1Br)[C@@H](C)CS(C)(=O)=O ZINC000079033935 257834994 /nfs/dbraw/zinc/83/49/94/257834994.db2.gz HKRCKTROUSYPEK-JTQLQIEISA-N 0 0 348.262 2.344 40 0 EEABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000128035440 257847981 /nfs/dbraw/zinc/84/79/81/257847981.db2.gz JGDMTXBZESACPG-HNNXBMFYSA-N 0 0 346.452 2.326 40 0 EEABRN Cn1nccc1CCn1c(=O)onc1-c1cccc(Br)c1 ZINC000330032888 258002598 /nfs/dbraw/zinc/00/25/98/258002598.db2.gz TVJDQHWJXMHEKB-UHFFFAOYSA-N 0 0 349.188 2.242 40 0 EEABRN C[C@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)[C@@H]1CO ZINC000190492390 533605575 /nfs/dbraw/zinc/60/55/75/533605575.db2.gz OFVBWJFIXVEECI-GXTWGEPZSA-N 0 0 337.489 2.367 40 0 EEABRN CC(C)[C@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O ZINC000035315375 132389472 /nfs/dbraw/zinc/38/94/72/132389472.db2.gz RTBNJHKTRDPSQO-QGZVFWFLSA-N 0 0 328.368 2.346 40 0 EEABRN CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000032639818 286696927 /nfs/dbraw/zinc/69/69/27/286696927.db2.gz MZPXDLGJKZZAGI-RYUDHWBXSA-N 0 0 330.862 2.435 40 0 EEABRN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000195040301 160204597 /nfs/dbraw/zinc/20/45/97/160204597.db2.gz DQPUPSQYWQTELI-GDBMZVCRSA-N 0 0 345.424 2.039 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291923512 275354195 /nfs/dbraw/zinc/35/41/95/275354195.db2.gz NNNZBTPSHLBMEO-VHSXEESVSA-N 0 0 348.262 2.402 40 0 EEABRN CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)C2CC2)CC1 ZINC000012186876 277501527 /nfs/dbraw/zinc/50/15/27/277501527.db2.gz SJJZRXIUEZKRCI-UHFFFAOYSA-N 0 0 342.848 2.255 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597541 293296308 /nfs/dbraw/zinc/29/63/08/293296308.db2.gz NPBZAWBPJPJCOK-ULQDDVLXSA-N 0 0 335.400 2.109 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000257249983 295413562 /nfs/dbraw/zinc/41/35/62/295413562.db2.gz JKNGVXOHNRTLIZ-MRXNPFEDSA-N 0 0 332.425 2.030 40 0 EEABRN O=C(N1CCCC1)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000096063039 295567326 /nfs/dbraw/zinc/56/73/26/295567326.db2.gz KPRDNCOVHKWXAE-UHFFFAOYSA-N 0 0 329.448 2.375 40 0 EEABRN O=C(Cc1ccccc1)NN1C(=S)SC[C@]1(O)c1ccccc1 ZINC000016739978 303656028 /nfs/dbraw/zinc/65/60/28/303656028.db2.gz WBFKBHNPMURCCR-KRWDZBQOSA-N 0 0 344.461 2.439 40 0 EEABRN Cc1cnn(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000332752002 312052455 /nfs/dbraw/zinc/05/24/55/312052455.db2.gz FKEMOSBAOKRGQS-RDJZCZTQSA-N 0 0 332.835 2.407 40 0 EEABRN Cn1ccnc1[C@@H](NC(=O)c1ncccc1O)c1cccc(F)c1 ZINC000097377870 323322504 /nfs/dbraw/zinc/32/25/04/323322504.db2.gz RZCRDMOPHORUGH-AWEZNQCLSA-N 0 0 326.331 2.179 40 0 EEABRN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000155241804 323332362 /nfs/dbraw/zinc/33/23/62/323332362.db2.gz MZNYQGXFYRAOAR-SJORKVTESA-N 0 0 342.439 2.475 40 0 EEABRN CCOC(=O)CCc1c(C(=O)OCC)[nH]c(C)c1C(=O)OCC ZINC000002598091 462595034 /nfs/dbraw/zinc/59/50/34/462595034.db2.gz XIWFOZJXBPBGKP-UHFFFAOYSA-N 0 0 325.361 2.172 40 0 EEABRN Cc1ccc(CN2C[C@H]3CN(C(=O)NC(C)C)CCN3C2=O)cc1 ZINC000085436119 462548107 /nfs/dbraw/zinc/54/81/07/462548107.db2.gz KCDFRKZWHCRNAG-MRXNPFEDSA-N 0 0 330.432 2.035 40 0 biogenic,in-vitro EEABRN O=C(c1cccs1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000085473397 462550282 /nfs/dbraw/zinc/55/02/82/462550282.db2.gz KTDQTUZMBKYJIG-CYBMUJFWSA-N 0 0 326.487 2.028 40 0 EEABRN CSc1ncccc1C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000085559057 462552388 /nfs/dbraw/zinc/55/23/88/462552388.db2.gz GONUUYFDPUDPLL-AWEZNQCLSA-N 0 0 330.409 2.202 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1 ZINC000000780486 462573536 /nfs/dbraw/zinc/57/35/36/462573536.db2.gz FFHJMLSPHINRFI-UHFFFAOYSA-N 0 0 348.443 2.471 40 0 EEABRN CC(=O)O[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000001345004 462578981 /nfs/dbraw/zinc/57/89/81/462578981.db2.gz WJDBHDSEQAIJOB-QGZVFWFLSA-N 0 0 345.326 2.475 40 0 EEABRN COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)C42CC2)c1 ZINC000002298544 462591064 /nfs/dbraw/zinc/59/10/64/462591064.db2.gz CGPCANKJXZXEGA-CRJCFHLZSA-N 0 0 325.364 2.405 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)[C@H]3C[C@H]3c3ccco3)nn2)cc1 ZINC000087423647 462607339 /nfs/dbraw/zinc/60/73/39/462607339.db2.gz IFWLBHDMHXMYGM-CVEARBPZSA-N 0 0 338.367 2.289 40 0 EEABRN Cc1ccn2ncc(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)c2n1 ZINC000074535445 462611822 /nfs/dbraw/zinc/61/18/22/462611822.db2.gz NEVNXIAQIWCZSO-UHFFFAOYSA-N 0 0 342.403 2.383 40 0 EEABRN O=S(=O)(NCCCn1ccnc1)c1ccc(Br)cc1 ZINC000005594850 462664120 /nfs/dbraw/zinc/66/41/20/462664120.db2.gz IDSCVKQEGSCNBW-UHFFFAOYSA-N 0 0 344.234 2.014 40 0 EEABRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000089326709 462667160 /nfs/dbraw/zinc/66/71/60/462667160.db2.gz NBFPTCXXZUIMBA-FZZIBODNSA-N 0 0 330.211 2.470 40 0 EEABRN Cc1cc(C)n2c(nnc2SCc2nc3ccccc3c(=O)[nH]2)n1 ZINC000005903782 462673051 /nfs/dbraw/zinc/67/30/51/462673051.db2.gz DXHDGBMMSFWQDG-UHFFFAOYSA-N 0 0 338.396 2.270 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)NCCC(C)C)cc1Cl ZINC000006325881 462683391 /nfs/dbraw/zinc/68/33/91/462683391.db2.gz YWOCZJAMZHNGIR-UHFFFAOYSA-N 0 0 349.836 2.216 40 0 EEABRN Cc1nc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)sc1C ZINC000075164267 462689678 /nfs/dbraw/zinc/68/96/78/462689678.db2.gz JZLIYZNLJAEOOG-AWEZNQCLSA-N 0 0 345.424 2.126 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)cs1 ZINC000006681638 462697391 /nfs/dbraw/zinc/69/73/91/462697391.db2.gz WQOBBYAMOYACIS-UHFFFAOYSA-N 0 0 328.390 2.438 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000006946331 462713749 /nfs/dbraw/zinc/71/37/49/462713749.db2.gz FJLSYNSDQDIMCI-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000008379044 462782474 /nfs/dbraw/zinc/78/24/74/462782474.db2.gz PRWLWBTWWJDILR-UHFFFAOYSA-N 0 0 349.749 2.173 40 0 EEABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C)s2)CC1=O ZINC000008474020 462784798 /nfs/dbraw/zinc/78/47/98/462784798.db2.gz CCTAAVCLATWLPC-NSHDSACASA-N 0 0 346.412 2.237 40 0 EEABRN Cc1ccc(-c2nc(C(=O)NCCO)nn2-c2ccc(F)cc2)cc1 ZINC000008476870 462785976 /nfs/dbraw/zinc/78/59/76/462785976.db2.gz JWMONIDXJDWOAK-UHFFFAOYSA-N 0 0 340.358 2.104 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010336705 462817452 /nfs/dbraw/zinc/81/74/52/462817452.db2.gz PLBULPZACYLUNC-UONOGXRCSA-N 0 0 326.462 2.373 40 0 EEABRN CC(C)C(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000012276901 462848365 /nfs/dbraw/zinc/84/83/65/462848365.db2.gz DZDDUAGLIOGYTE-UHFFFAOYSA-N 0 0 331.464 2.162 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N1CCCN(c2ccccc2)CC1 ZINC000155511559 462902379 /nfs/dbraw/zinc/90/23/79/462902379.db2.gz GEQQTPQGEPLLKV-UHFFFAOYSA-N 0 0 340.427 2.438 40 0 EEABRN O=C(CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)NC1CCCC1 ZINC000014001228 462907736 /nfs/dbraw/zinc/90/77/36/462907736.db2.gz PDDFYMBIEMPQRO-UHFFFAOYSA-N 0 0 342.374 2.466 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2sccc2C)cc1C ZINC000077172386 462947891 /nfs/dbraw/zinc/94/78/91/462947891.db2.gz ZVWMITFQVXVITO-CYBMUJFWSA-N 0 0 341.454 2.385 40 0 EEABRN CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(C)=O ZINC000019696515 463020121 /nfs/dbraw/zinc/02/01/21/463020121.db2.gz YTILVSGUDQYTOA-GOSISDBHSA-N 0 0 327.384 2.011 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](c1ccc(Cl)cc1)CC3=O ZINC000019819865 463021932 /nfs/dbraw/zinc/02/19/32/463021932.db2.gz PAVBVWWTODYJAJ-VIFPVBQESA-N 0 0 340.770 2.466 40 0 EEABRN Cn1ccc(NC(=O)C(=O)N[C@@H](c2cccnc2)C2CCCCC2)n1 ZINC000077748407 463036902 /nfs/dbraw/zinc/03/69/02/463036902.db2.gz UKDCENFKAPAFHA-MRXNPFEDSA-N 0 0 341.415 2.191 40 0 EEABRN CC[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000156726243 463060814 /nfs/dbraw/zinc/06/08/14/463060814.db2.gz AKHSYAABKZMBJD-IUODEOHRSA-N 0 0 340.217 2.237 40 0 EEABRN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 ZINC000095101330 463066266 /nfs/dbraw/zinc/06/62/66/463066266.db2.gz DKXOTTPAYPGLTE-SIXWZSSISA-N 0 0 344.411 2.431 40 0 EEABRN Nc1nc(N2CCC[C@H]2C(=O)NCc2ccco2)nc2ccccc12 ZINC000134902072 463094718 /nfs/dbraw/zinc/09/47/18/463094718.db2.gz OYWIHCXNSRWELQ-HNNXBMFYSA-N 0 0 337.383 2.090 40 0 EEABRN COc1ccc([C@@H](N)c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095533791 463107351 /nfs/dbraw/zinc/10/73/51/463107351.db2.gz ZKIWJLDJYUHCQT-QGZVFWFLSA-N 0 0 340.383 2.449 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096039055 463143651 /nfs/dbraw/zinc/14/36/51/463143651.db2.gz MOXNTJFTORSHSJ-JKSUJKDBSA-N 0 0 343.420 2.032 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039069 463143669 /nfs/dbraw/zinc/14/36/69/463143669.db2.gz VHGLRMWPVAHQRJ-SJLPKXTDSA-N 0 0 333.384 2.073 40 0 EEABRN c1ccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040236 463145220 /nfs/dbraw/zinc/14/52/20/463145220.db2.gz DISSBQIFALOJLC-MJGOQNOKSA-N 0 0 340.427 2.464 40 0 EEABRN O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040325 463145237 /nfs/dbraw/zinc/14/52/37/463145237.db2.gz ZZKDEOKSXBYVEB-HKUYNNGSSA-N 0 0 345.443 2.305 40 0 EEABRN O=S(=O)(c1ccccc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042077 463146533 /nfs/dbraw/zinc/14/65/33/463146533.db2.gz LVCLDVHKSGSXPP-YESZJQIVSA-N 0 0 337.441 2.034 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042245 463148060 /nfs/dbraw/zinc/14/80/60/463148060.db2.gz SGJYCVZXKBHESP-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN CCOCCN1Cc2ncn(C)c2[C@@H](COCc2cccc(C)n2)C1 ZINC000096045049 463148987 /nfs/dbraw/zinc/14/89/87/463148987.db2.gz HXVHEHWKZAHURY-MRXNPFEDSA-N 0 0 344.459 2.276 40 0 EEABRN O=C(NCc1cccnc1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 ZINC000096064783 463162801 /nfs/dbraw/zinc/16/28/01/463162801.db2.gz SAUIKGUOIVFOBE-SQNIBIBYSA-N 0 0 345.443 2.340 40 0 EEABRN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2cscn2)cn1 ZINC000096069967 463166199 /nfs/dbraw/zinc/16/61/99/463166199.db2.gz OYCZNONLELFLQS-HOTGVXAUSA-N 0 0 346.456 2.129 40 0 EEABRN COCCN1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC000096084933 463170849 /nfs/dbraw/zinc/17/08/49/463170849.db2.gz YGYGXRFQRFNZJK-UHFFFAOYSA-N 0 0 342.443 2.272 40 0 EEABRN Fc1cnc(N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nc1 ZINC000096100137 463173173 /nfs/dbraw/zinc/17/31/73/463173173.db2.gz XJTGVYXSNCYILN-WCFLWFBJSA-N 0 0 331.351 2.233 40 0 EEABRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cncc(Br)c1 ZINC000096103670 463173976 /nfs/dbraw/zinc/17/39/76/463173976.db2.gz ZRKXZMTXCMIHFP-UHFFFAOYSA-N 0 0 346.184 2.382 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107521 463176045 /nfs/dbraw/zinc/17/60/45/463176045.db2.gz XCHYVGJHHUXJFI-WMZOPIPTSA-N 0 0 343.383 2.050 40 0 EEABRN O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108843 463177389 /nfs/dbraw/zinc/17/73/89/463177389.db2.gz DUWDKMACBAVQMQ-KDOFPFPSSA-N 0 0 344.436 2.240 40 0 EEABRN COc1ccc(CC(=O)NCc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000096120770 463180658 /nfs/dbraw/zinc/18/06/58/463180658.db2.gz RVVIXJJBLNCMTA-UHFFFAOYSA-N 0 0 340.427 2.253 40 0 EEABRN COc1ccccc1C[C@H]1CCCN1C(=O)CNCC(F)(F)F ZINC000079044844 463182925 /nfs/dbraw/zinc/18/29/25/463182925.db2.gz FWIKRFMJGVSXRM-CYBMUJFWSA-N 0 0 330.350 2.381 40 0 EEABRN Cc1cccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)n1 ZINC000096185317 463197071 /nfs/dbraw/zinc/19/70/71/463197071.db2.gz LIASIUBAQYTHJG-INMHGKMJSA-N 0 0 341.411 2.254 40 0 EEABRN CN(Cc1cccnc1)[C@@H]1CN(C(=O)c2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096186005 463198044 /nfs/dbraw/zinc/19/80/44/463198044.db2.gz UJGQEWLKYLJAEK-KURKYZTESA-N 0 0 341.411 2.179 40 0 EEABRN CCOC[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cn(C)nc21 ZINC000096198002 463202660 /nfs/dbraw/zinc/20/26/60/463202660.db2.gz UJTBURADXOOTLP-OAHLLOKOSA-N 0 0 349.456 2.053 40 0 EEABRN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096199442 463204639 /nfs/dbraw/zinc/20/46/39/463204639.db2.gz BVVCTRBPDAZDRW-IAGOWNOFSA-N 0 0 342.439 2.173 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096199618 463204914 /nfs/dbraw/zinc/20/49/14/463204914.db2.gz AENRSPLVAFNEGD-MRXNPFEDSA-N 0 0 335.407 2.360 40 0 EEABRN O=S(=O)(c1cccs1)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC000096202499 463208694 /nfs/dbraw/zinc/20/86/94/463208694.db2.gz QSGHGSJDKGDBHS-UHFFFAOYSA-N 0 0 349.481 2.040 40 0 EEABRN COc1cc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)ncn1 ZINC000096216506 463215289 /nfs/dbraw/zinc/21/52/89/463215289.db2.gz WYJFKXHTNGPXOT-QGZVFWFLSA-N 0 0 345.472 2.434 40 0 EEABRN CC(=O)N1CC[C@@H](OCC(=O)N2CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000096217160 463215333 /nfs/dbraw/zinc/21/53/33/463215333.db2.gz RJIOOACZSNRFSA-RBUKOAKNSA-N 0 0 344.455 2.105 40 0 EEABRN Cn1ccnc1CN1CC[C@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096218859 463216374 /nfs/dbraw/zinc/21/63/74/463216374.db2.gz VZYDSRBYCRIYAR-WMZOPIPTSA-N 0 0 330.407 2.405 40 0 EEABRN Cc1nc(CN2CCC[C@]3(C2)CN(C(=O)C2CCC2)CCO3)cs1 ZINC000096226709 463220355 /nfs/dbraw/zinc/22/03/55/463220355.db2.gz BEYGVZNSGMKCBB-SFHVURJKSA-N 0 0 349.500 2.445 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096227501 463222166 /nfs/dbraw/zinc/22/21/66/463222166.db2.gz LVWWUYIMVAGPLR-FXAWDEMLSA-N 0 0 335.407 2.250 40 0 EEABRN CCc1cnc(N2C[C@@H]3C(=O)N(Cc4cccc(C)c4)C[C@@H]3C2)nc1 ZINC000096245276 463225725 /nfs/dbraw/zinc/22/57/25/463225725.db2.gz STOKAVJRGKAHSA-MSOLQXFVSA-N 0 0 336.439 2.442 40 0 EEABRN O=C(c1cccc(F)c1)N1CC[C@H]2CN(c3ncccn3)CC[C@@H]21 ZINC000096249215 463226746 /nfs/dbraw/zinc/22/67/46/463226746.db2.gz PDQNEJWEILKDPV-HOCLYGCPSA-N 0 0 326.375 2.357 40 0 EEABRN O=C(c1cscn1)N1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255322 463228804 /nfs/dbraw/zinc/22/88/04/463228804.db2.gz RQUWIRMGPFNEBQ-UHFFFAOYSA-N 0 0 337.408 2.236 40 0 EEABRN CCN(C)c1ncnc2c1CCN(C(=O)Cc1cccs1)CC2 ZINC000096255810 463229133 /nfs/dbraw/zinc/22/91/33/463229133.db2.gz QUBORLSRJFLRNW-UHFFFAOYSA-N 0 0 330.457 2.164 40 0 EEABRN CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccn1C)CCC2 ZINC000096259218 463229822 /nfs/dbraw/zinc/22/98/22/463229822.db2.gz PSRXHIOSMZQQLB-UHFFFAOYSA-N 0 0 329.448 2.108 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000096261130 463231867 /nfs/dbraw/zinc/23/18/67/463231867.db2.gz RUMCRPZZUMFVRT-GOSISDBHSA-N 0 0 349.434 2.289 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)s1 ZINC000096374567 463237414 /nfs/dbraw/zinc/23/74/14/463237414.db2.gz HQDMIIZKUAVBTI-UHFFFAOYSA-N 0 0 344.502 2.435 40 0 EEABRN O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000096403625 463238000 /nfs/dbraw/zinc/23/80/00/463238000.db2.gz WQDATCPIYWWFMB-AWEZNQCLSA-N 0 0 348.468 2.090 40 0 EEABRN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000096404895 463239641 /nfs/dbraw/zinc/23/96/41/463239641.db2.gz MJSYHBQDOSGQOS-VHSSKADRSA-N 0 0 343.448 2.494 40 0 EEABRN CN1C[C@H](NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CCC1=O ZINC000096422040 463252579 /nfs/dbraw/zinc/25/25/79/463252579.db2.gz WNQFQEFLEWKRLO-LLVKDONJSA-N 0 0 347.806 2.268 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1ccco1)CC2 ZINC000096423945 463253721 /nfs/dbraw/zinc/25/37/21/463253721.db2.gz GAYCECKTNLTPFQ-SOFGYWHQSA-N 0 0 346.408 2.180 40 0 EEABRN C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1cccc2ccccc21 ZINC000096426149 463256185 /nfs/dbraw/zinc/25/61/85/463256185.db2.gz XMHIRILSQVIVET-LBPRGKRZSA-N 0 0 334.441 2.345 40 0 EEABRN Fc1cc2ncnc(NCc3cccnc3-n3cncn3)c2cc1F ZINC000096429176 463259308 /nfs/dbraw/zinc/25/93/08/463259308.db2.gz WJNBSWBKGGIYQB-UHFFFAOYSA-N 0 0 339.309 2.496 40 0 EEABRN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000096430560 463260326 /nfs/dbraw/zinc/26/03/26/463260326.db2.gz BPCCPPWNTRWRLL-UHFFFAOYSA-N 0 0 338.411 2.191 40 0 EEABRN C[C@@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)[C@@H]1CCCO1 ZINC000096435232 463263738 /nfs/dbraw/zinc/26/37/38/463263738.db2.gz GDRQUJQVODISFK-HIFRSBDPSA-N 0 0 329.404 2.210 40 0 EEABRN CNC(=O)Cc1ccc(N[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000096436882 463264846 /nfs/dbraw/zinc/26/48/46/463264846.db2.gz FRESPUIAHVDTIZ-CYBMUJFWSA-N 0 0 336.399 2.124 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000096440609 463267099 /nfs/dbraw/zinc/26/70/99/463267099.db2.gz RCLHHPCYEAHRQA-QJPTWQEYSA-N 0 0 333.354 2.124 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3scnc3Cl)CC2)S1 ZINC000096443738 463268927 /nfs/dbraw/zinc/26/89/27/463268927.db2.gz NHPJTZQOBPNFTM-MRVPVSSYSA-N 0 0 330.866 2.046 40 0 EEABRN C[C@](O)(CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccsc1 ZINC000096444482 463269359 /nfs/dbraw/zinc/26/93/59/463269359.db2.gz YXGFHIKMWQOYMH-KRWDZBQOSA-N 0 0 328.393 2.227 40 0 EEABRN CCc1cnc(CN(C)C(=O)Nc2ccccc2CC(N)=O)s1 ZINC000096447137 463271115 /nfs/dbraw/zinc/27/11/15/463271115.db2.gz FFOUVBXXOORVKN-UHFFFAOYSA-N 0 0 332.429 2.397 40 0 EEABRN O=C(NC[C@@]1(O)CCSC1)c1ccc(F)cc1Br ZINC000096446911 463271224 /nfs/dbraw/zinc/27/12/24/463271224.db2.gz AHOROSNRLXHYFG-LBPRGKRZSA-N 0 0 334.210 2.186 40 0 EEABRN C[C@](O)(CNC(=O)[C@H]1CCCN1c1nccs1)c1ccsc1 ZINC000096450360 463271999 /nfs/dbraw/zinc/27/19/99/463271999.db2.gz VCAYDVUETNTTSI-DOMZBBRYSA-N 0 0 337.470 2.197 40 0 EEABRN Cc1noc(CCCC(=O)Nc2ncccc2Br)n1 ZINC000096449808 463272109 /nfs/dbraw/zinc/27/21/09/463272109.db2.gz LPQGOWPCFSHICO-UHFFFAOYSA-N 0 0 325.166 2.497 40 0 EEABRN COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(n2cncn2)CC1 ZINC000096471462 463278620 /nfs/dbraw/zinc/27/86/20/463278620.db2.gz ODNGAWWVLIHRSN-INIZCTEOSA-N 0 0 341.415 2.321 40 0 EEABRN CCn1c(C)cc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c1C ZINC000096483098 463281117 /nfs/dbraw/zinc/28/11/17/463281117.db2.gz PHPPWODNIXBJPO-HNNXBMFYSA-N 0 0 340.427 2.164 40 0 EEABRN CCc1cc(CNC(=O)N2CCN(c3nc(C)c(C)s3)CC2)on1 ZINC000096484056 463282507 /nfs/dbraw/zinc/28/25/07/463282507.db2.gz VKOVVCGOPVCGGM-UHFFFAOYSA-N 0 0 349.460 2.342 40 0 EEABRN Cc1cc(C)n2c(CN3CCN(c4ccccc4O)CC3)cnc2n1 ZINC000096489441 463285124 /nfs/dbraw/zinc/28/51/24/463285124.db2.gz IZBUVJJYJGGIBE-UHFFFAOYSA-N 0 0 337.427 2.374 40 0 EEABRN OC[C@H]1CN(Cc2ccc(Br)c3cccnc23)CCO1 ZINC000096497168 463290074 /nfs/dbraw/zinc/29/00/74/463290074.db2.gz WPZYKUMISAENIF-GFCCVEGCSA-N 0 0 337.217 2.190 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000096503181 463293335 /nfs/dbraw/zinc/29/33/35/463293335.db2.gz BPTRUIUPCFFRGL-LSDHHAIUSA-N 0 0 334.489 2.365 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccccc1 ZINC000096519816 463294411 /nfs/dbraw/zinc/29/44/11/463294411.db2.gz ZMKUQDCXCCHWSZ-VHSXEESVSA-N 0 0 327.627 2.442 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)CNC(=O)c1ccccc1 ZINC000030763612 463310782 /nfs/dbraw/zinc/31/07/82/463310782.db2.gz XLFFSIIKUXDNRK-HTXNQAPBSA-N 0 0 325.393 2.097 40 0 EEABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCOCC1 ZINC000030864618 463314587 /nfs/dbraw/zinc/31/45/87/463314587.db2.gz WAEKMRYWDPVYQQ-KRWDZBQOSA-N 0 0 334.460 2.299 40 0 EEABRN C[S@@](=O)c1ccc(CNC(=O)NC2Cc3ccccc3C2)cc1 ZINC000097377410 463357116 /nfs/dbraw/zinc/35/71/16/463357116.db2.gz JXFYQMALJFEHKS-QHCPKHFHSA-N 0 0 328.437 2.391 40 0 EEABRN CN1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508652 463380299 /nfs/dbraw/zinc/38/02/99/463380299.db2.gz HBUPLPCPMYKVIV-NEPJUHHUSA-N 0 0 348.852 2.179 40 0 EEABRN O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1cnccn1 ZINC000071195790 463411583 /nfs/dbraw/zinc/41/15/83/463411583.db2.gz SJUAITIECZGBEL-OAHLLOKOSA-N 0 0 332.367 2.136 40 0 EEABRN CCOC(=O)c1ccc2cncc(I)c2n1 ZINC000071256420 463412676 /nfs/dbraw/zinc/41/26/76/463412676.db2.gz YPVFHXYOFZDOOR-UHFFFAOYSA-N 0 0 328.109 2.411 40 0 EEABRN CCOc1cc(C(=O)N2CCOCC2)cc(Br)c1OC ZINC000033671326 463423355 /nfs/dbraw/zinc/42/33/55/463423355.db2.gz YROMVQKXGCCZGH-UHFFFAOYSA-N 0 0 344.205 2.329 40 0 EEABRN Cc1cc(C)cc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000033851550 463425785 /nfs/dbraw/zinc/42/57/85/463425785.db2.gz SHGZDIRIPQVRJT-CYBMUJFWSA-N 0 0 326.462 2.373 40 0 EEABRN Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000041122238 463468151 /nfs/dbraw/zinc/46/81/51/463468151.db2.gz CQVSFCDOGRHWOJ-NSHDSACASA-N 0 0 325.365 2.085 40 0 EEABRN COc1cccc([C@@]2(Cc3ccc(Cl)cc3)NC(N)=NC2=O)c1 ZINC000071975268 463478006 /nfs/dbraw/zinc/47/80/06/463478006.db2.gz LUBRWEGXURGMQP-QGZVFWFLSA-N 0 0 329.787 2.231 40 0 EEABRN COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(OC)c1 ZINC000041624195 463498001 /nfs/dbraw/zinc/49/80/01/463498001.db2.gz CJWCFCJZCQSCLW-XOKHGSTOSA-N 0 0 346.427 2.440 40 0 EEABRN Cc1nc(CN2CCC3(CC(=O)N(Cc4cccnc4)C3)CC2)c[nH]1 ZINC000108536235 463611531 /nfs/dbraw/zinc/61/15/31/463611531.db2.gz HIQYLPUOZQJIHX-UHFFFAOYSA-N 0 0 339.443 2.128 40 0 EEABRN CCNC(=O)c1cc(Cl)ccc1NCC(=O)Nc1cc(C)nn1C ZINC000085277186 463643738 /nfs/dbraw/zinc/64/37/38/463643738.db2.gz SVKOOJGLELAHOO-UHFFFAOYSA-N 0 0 349.822 2.182 40 0 EEABRN CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000059765342 463645287 /nfs/dbraw/zinc/64/52/87/463645287.db2.gz KQURHNQIZNOBPP-UHFFFAOYSA-N 0 0 339.395 2.080 40 0 EEABRN O=[N+]([O-])c1ccc(NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nc1 ZINC000043984366 463664889 /nfs/dbraw/zinc/66/48/89/463664889.db2.gz DIUTWCIEBSBLJC-PJQLUOCWSA-N 0 0 331.244 2.073 40 0 EEABRN COC(=O)Cc1ccc(OCC(=O)NCc2ccccc2F)cc1 ZINC000044870382 463697171 /nfs/dbraw/zinc/69/71/71/463697171.db2.gz GCSLLJJJNLRLAH-UHFFFAOYSA-N 0 0 331.343 2.236 40 0 EEABRN COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1N ZINC000256051397 463755438 /nfs/dbraw/zinc/75/54/38/463755438.db2.gz JACQWPSQEGQHQJ-UHFFFAOYSA-N 0 0 341.411 2.248 40 0 EEABRN CCN1c2ccc(S(=O)(=O)NCc3ccccc3)cc2CCC1=O ZINC000257173202 463756811 /nfs/dbraw/zinc/75/68/11/463756811.db2.gz GLLPTKOVZQCAIZ-UHFFFAOYSA-N 0 0 344.436 2.464 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCOC[C@H]2CCc2nccnc2C)s1 ZINC000257298667 463767185 /nfs/dbraw/zinc/76/71/85/463767185.db2.gz RMUXABYMBLRDKT-CQSZACIVSA-N 0 0 346.456 2.332 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@H](OC)[C@@]2(CCCO2)C1 ZINC000257304571 463769926 /nfs/dbraw/zinc/76/99/26/463769926.db2.gz SMGSCMPUNATTJN-PKOBYXMFSA-N 0 0 348.443 2.212 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306010 463770209 /nfs/dbraw/zinc/77/02/09/463770209.db2.gz SSMPSCGQNBGNHB-IBGZPJMESA-N 0 0 325.412 2.496 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCCN1c1cccc(C)n1 ZINC000257310340 463771955 /nfs/dbraw/zinc/77/19/55/463771955.db2.gz UERPQQYSENLYGS-HNNXBMFYSA-N 0 0 327.432 2.058 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257310811 463773090 /nfs/dbraw/zinc/77/30/90/463773090.db2.gz UGRLQTBQMPRAFB-CQSZACIVSA-N 0 0 341.411 2.448 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(C)cc3)on2)[C@H]1O ZINC000257317004 463774655 /nfs/dbraw/zinc/77/46/55/463774655.db2.gz VHXTWJFPLNMXKB-FRFSOERESA-N 0 0 330.384 2.308 40 0 EEABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(CC(N)=O)[C@H]3C[C@@H]21 ZINC000257332000 463780965 /nfs/dbraw/zinc/78/09/65/463780965.db2.gz XVGSATDFXQTZPC-ILXVDBEPSA-N 0 0 330.428 2.254 40 0 EEABRN O=C(CC1CCCC1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257338116 463784803 /nfs/dbraw/zinc/78/48/03/463784803.db2.gz YVXZVXYBDWFEAS-GOSISDBHSA-N 0 0 335.423 2.249 40 0 EEABRN CCOC(=O)N[C@@H]1[C@H](OC)O[C@@H]2CC[C@H](c3ccccc3)C[C@H]2[C@@H]1O ZINC000257346004 463788597 /nfs/dbraw/zinc/78/85/97/463788597.db2.gz OGNXEDDZAJYKJV-SSDAWUQTSA-N 0 0 349.427 2.417 40 0 EEABRN Cc1ccn(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c(=O)c1 ZINC000194979698 463970919 /nfs/dbraw/zinc/97/09/19/463970919.db2.gz GWRQJGSBQFXPQD-OAHLLOKOSA-N 0 0 343.402 2.081 40 0 EEABRN CCCC[C@H](C(=O)OC)N1CCS(=O)(=O)c2ccccc2C1 ZINC000186558538 464021476 /nfs/dbraw/zinc/02/14/76/464021476.db2.gz GZGSMPYFBWRMKV-CQSZACIVSA-N 0 0 325.430 2.008 40 0 EEABRN CCS(=O)(=O)N(C)C1CCN(C(=O)c2occc2C(C)C)CC1 ZINC000283895505 464033222 /nfs/dbraw/zinc/03/32/22/464033222.db2.gz INIMDPVMJLEGOP-UHFFFAOYSA-N 0 0 342.461 2.289 40 0 EEABRN COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[C@@H](CC(N)=O)C1 ZINC000195559628 464076496 /nfs/dbraw/zinc/07/64/96/464076496.db2.gz RRDQHFJBUGXCLM-ZUZCIYMTSA-N 0 0 342.798 2.281 40 0 EEABRN CSc1nsc(NC(=O)CN2CCC(C(F)(F)F)CC2)n1 ZINC000195561814 464077837 /nfs/dbraw/zinc/07/78/37/464077837.db2.gz IKPRXDVHXFMIBW-UHFFFAOYSA-N 0 0 340.396 2.473 40 0 EEABRN Cc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000214342017 464106093 /nfs/dbraw/zinc/10/60/93/464106093.db2.gz YOLKHJVBLDIPPY-HUUCEWRRSA-N 0 0 329.787 2.123 40 0 EEABRN CN(c1cccc(C(=O)N2CCc3ccccc3C2)c1)S(C)(=O)=O ZINC000222407472 464130567 /nfs/dbraw/zinc/13/05/67/464130567.db2.gz BGKQRXRBXFSBRZ-UHFFFAOYSA-N 0 0 344.436 2.281 40 0 EEABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C(C)(C)C ZINC000223621424 464145113 /nfs/dbraw/zinc/14/51/13/464145113.db2.gz OUUJHSUGCGTWMS-UHFFFAOYSA-N 0 0 328.434 2.367 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](Oc2ccc(C)nn2)C1 ZINC000225462722 464162585 /nfs/dbraw/zinc/16/25/85/464162585.db2.gz GKILAAHNVCUSOO-AWEZNQCLSA-N 0 0 330.388 2.002 40 0 EEABRN O=C(c1ccoc1Br)N1CCO[C@@H](COCC2CC2)C1 ZINC000225549654 464170949 /nfs/dbraw/zinc/17/09/49/464170949.db2.gz SFFMLECZWSFQJF-LLVKDONJSA-N 0 0 344.205 2.310 40 0 EEABRN O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccnc1C1CC1 ZINC000225568582 464171907 /nfs/dbraw/zinc/17/19/07/464171907.db2.gz SDYCYSMPPZBONN-UHFFFAOYSA-N 0 0 341.383 2.158 40 0 EEABRN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1c(C)noc1C ZINC000225711340 464181628 /nfs/dbraw/zinc/18/16/28/464181628.db2.gz LIOCJKMZVGSGLY-GOSISDBHSA-N 0 0 330.384 2.254 40 0 EEABRN Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1cccc(OC(F)F)c1)CC2 ZINC000238839456 464438614 /nfs/dbraw/zinc/43/86/14/464438614.db2.gz HMYYXYWWBIUCKU-SNVBAGLBSA-N 0 0 349.337 2.125 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)c1cc(N2CCOCC2)ncn1 ZINC000240067780 464445816 /nfs/dbraw/zinc/44/58/16/464445816.db2.gz SBEPLIOJNWOHLV-UHFFFAOYSA-N 0 0 348.790 2.228 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC ZINC000242718281 464458518 /nfs/dbraw/zinc/45/85/18/464458518.db2.gz XHUMFLLNFWAUSZ-LZWOXQAQSA-N 0 0 341.498 2.205 40 0 EEABRN Cc1ccc(NC(=O)CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000245963761 464531407 /nfs/dbraw/zinc/53/14/07/464531407.db2.gz DHSOJMFERXAQFR-IAGOWNOFSA-N 0 0 344.411 2.351 40 0 EEABRN Cc1ccc(OC2CCN(C(=O)CCc3nnc[nH]3)CC2)cc1C ZINC000175862914 464644210 /nfs/dbraw/zinc/64/42/10/464644210.db2.gz IFFUXVDXVNFJPC-UHFFFAOYSA-N 0 0 328.416 2.424 40 0 EEABRN CNC(=O)C[C@@H]1CN(CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940119 464715687 /nfs/dbraw/zinc/71/56/87/464715687.db2.gz IAXNMGVEAZISFF-OAHLLOKOSA-N 0 0 348.834 2.108 40 0 EEABRN O=C(c1ccccc1F)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000247968002 464717416 /nfs/dbraw/zinc/71/74/16/464717416.db2.gz ZZNUFWMEJLHJAU-CVEARBPZSA-N 0 0 325.343 2.241 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCCc1cccs1)CN(C1CCC1)C2 ZINC000248037059 464725920 /nfs/dbraw/zinc/72/59/20/464725920.db2.gz NDUYZBACBSXJBC-HNNXBMFYSA-N 0 0 344.484 2.292 40 0 EEABRN C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccco2)[C@@H](C(=O)[O-])C1 ZINC000248094960 464729445 /nfs/dbraw/zinc/72/94/45/464729445.db2.gz YZGFGAYFSBTBRX-HZPDHXFCSA-N 0 0 342.395 2.469 40 0 EEABRN COc1cc(Br)ccc1CNC(=O)NC[C@@H](C)OC ZINC000190853363 464733764 /nfs/dbraw/zinc/73/37/64/464733764.db2.gz KXWKILKEEJURSO-SECBINFHSA-N 0 0 331.210 2.292 40 0 EEABRN CCN(C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000248791623 464802417 /nfs/dbraw/zinc/80/24/17/464802417.db2.gz XUUCSMHPJFPHRR-GXTWGEPZSA-N 0 0 346.349 2.046 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@@H]3CCCC[C@@H]3C)c2C)no1 ZINC000252478396 464959733 /nfs/dbraw/zinc/95/97/33/464959733.db2.gz ALEMYBKHVILHSE-JOYOIKCWSA-N 0 0 333.396 2.026 40 0 EEABRN CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCCC3)cc2NC1=O ZINC000252482688 464961910 /nfs/dbraw/zinc/96/19/10/464961910.db2.gz DMCBARXKMGUDJB-OAHLLOKOSA-N 0 0 338.429 2.361 40 0 EEABRN C[C@@H](C(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499661 464970918 /nfs/dbraw/zinc/97/09/18/464970918.db2.gz SDSLEZAUDWMNPN-HZMBPMFUSA-N 0 0 349.374 2.282 40 0 EEABRN CC(C)SCCSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C ZINC000252511164 464976904 /nfs/dbraw/zinc/97/69/04/464976904.db2.gz ZVMFIOBOYQMCDJ-NSHDSACASA-N 0 0 349.547 2.026 40 0 EEABRN CCO[C@H]1CSC2(CN(C(=O)c3cccc4c3OCCO4)C2)C1 ZINC000253386609 464997816 /nfs/dbraw/zinc/99/78/16/464997816.db2.gz XHYLYUXQMGUPGR-GFCCVEGCSA-N 0 0 335.425 2.194 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000253398523 465002002 /nfs/dbraw/zinc/00/20/02/465002002.db2.gz VFNDFMNYTMAAGI-YMTOWFKASA-N 0 0 341.205 2.115 40 0 EEABRN Cc1nc(C)c(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 ZINC000253418065 465005774 /nfs/dbraw/zinc/00/57/74/465005774.db2.gz ZUMWLSDAAHHJJJ-CYBMUJFWSA-N 0 0 347.440 2.060 40 0 EEABRN COc1ccccc1N1CCC(N2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000253420041 465007960 /nfs/dbraw/zinc/00/79/60/465007960.db2.gz CGQYQFBFTSEMAM-OAHLLOKOSA-N 0 0 329.400 2.091 40 0 EEABRN O=C(NCc1ccc2ncccc2c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000253421370 465008998 /nfs/dbraw/zinc/00/89/98/465008998.db2.gz VGXJQFVDZWUPES-APWZRJJASA-N 0 0 341.411 2.372 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420868 465009529 /nfs/dbraw/zinc/00/95/29/465009529.db2.gz DNCBKYSIQCQTJZ-MGPQQGTHSA-N 0 0 349.397 2.222 40 0 EEABRN CCC(CC)n1nc(C(=O)N2CCOC[C@@H]2c2ncon2)cc1C ZINC000253425749 465010059 /nfs/dbraw/zinc/01/00/59/465010059.db2.gz HDICBHQILAKLFM-CQSZACIVSA-N 0 0 333.392 2.149 40 0 EEABRN O=C([C@H]1CCCN1c1ncnc2ccccc21)N1CCCc2n[nH]cc21 ZINC000253428457 465012574 /nfs/dbraw/zinc/01/25/74/465012574.db2.gz QFKMOTSLYRGEGL-MRXNPFEDSA-N 0 0 348.410 2.301 40 0 EEABRN CCn1cnc2c1ncnc2N1CCC(OC[C@H]2CCCO2)CC1 ZINC000253430816 465013754 /nfs/dbraw/zinc/01/37/54/465013754.db2.gz FYQHVZKVZUBRBY-CQSZACIVSA-N 0 0 331.420 2.011 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000253473736 465016352 /nfs/dbraw/zinc/01/63/52/465016352.db2.gz XYYIPIADDLUJLU-OAHLLOKOSA-N 0 0 326.400 2.180 40 0 EEABRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000298355017 465373314 /nfs/dbraw/zinc/37/33/14/465373314.db2.gz OTIBQXUJFSILLJ-FZKQIMNGSA-N 0 0 339.395 2.411 40 0 EEABRN CC(C)n1ccnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000299266295 465673743 /nfs/dbraw/zinc/67/37/43/465673743.db2.gz WCBDDTIQMDGVOY-MGPQQGTHSA-N 0 0 341.477 2.321 40 0 EEABRN Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@H](C)C3)ncn2)no1 ZINC000301190733 465917710 /nfs/dbraw/zinc/91/77/10/465917710.db2.gz WDIUZQQZVNLDIC-LBPRGKRZSA-N 0 0 344.419 2.084 40 0 EEABRN C[C@@H]1C[C@@H](Nc2ncnc3ccc(S(C)(=O)=O)cc32)C[C@H](C)O1 ZINC000302859314 466198863 /nfs/dbraw/zinc/19/88/63/466198863.db2.gz UFVZHMZRAPRGJH-ZSBIGDGJSA-N 0 0 335.429 2.401 40 0 EEABRN O=C(NCc1ccnc(-n2ccnc2)c1)NCC1(O)CCCCCC1 ZINC000363235402 466299723 /nfs/dbraw/zinc/29/97/23/466299723.db2.gz VFHSKGQQJTUSQT-UHFFFAOYSA-N 0 0 343.431 2.152 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)o1 ZINC000306130302 466489274 /nfs/dbraw/zinc/48/92/74/466489274.db2.gz JBXSXRFQCBFMMV-OAHLLOKOSA-N 0 0 338.415 2.319 40 0 EEABRN O=C(C1CC1)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306139787 466493938 /nfs/dbraw/zinc/49/39/38/466493938.db2.gz UAKGTXVSMLWTSY-OAHLLOKOSA-N 0 0 339.443 2.446 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408582893 466681067 /nfs/dbraw/zinc/68/10/67/466681067.db2.gz FSMRVPQGLMIGQQ-ZDUSSCGKSA-N 0 0 326.462 2.458 40 0 EEABRN CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@@](O)(c2ccc(F)cc2)C1 ZINC000408563934 466681497 /nfs/dbraw/zinc/68/14/97/466681497.db2.gz SGUDJTTYJYIWMW-WMZOPIPTSA-N 0 0 328.343 2.313 40 0 EEABRN CSc1ncccc1C(=O)NCc1nc(C2CCOCC2)no1 ZINC000575605616 468145313 /nfs/dbraw/zinc/14/53/13/468145313.db2.gz GMCMTQBQWLINPL-UHFFFAOYSA-N 0 0 334.401 2.011 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCCC2=O)c1 ZINC000575605972 468146083 /nfs/dbraw/zinc/14/60/83/468146083.db2.gz BQMGKMBWKSZMLC-CQSZACIVSA-N 0 0 339.395 2.292 40 0 EEABRN CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000575608976 468147935 /nfs/dbraw/zinc/14/79/35/468147935.db2.gz QMQDSPFQCYMPHP-KRWDZBQOSA-N 0 0 348.472 2.160 40 0 EEABRN CC(C)n1cncc1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000567722365 468194197 /nfs/dbraw/zinc/19/41/97/468194197.db2.gz BLQLGMUBGOOXNL-SFHVURJKSA-N 0 0 326.444 2.397 40 0 EEABRN CCN1CC[C@]2(CN(C(=O)c3occc3C)CC(F)(F)C2)C1=O ZINC000585093483 468963576 /nfs/dbraw/zinc/96/35/76/468963576.db2.gz YYLLDANUSKJFHB-HNNXBMFYSA-N 0 0 326.343 2.308 40 0 EEABRN C[C@@H]1c2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1 ZINC000585096833 468964582 /nfs/dbraw/zinc/96/45/82/468964582.db2.gz DNKZVEQRZPDEQJ-LLVKDONJSA-N 0 0 345.378 2.095 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1 ZINC000585102857 468970152 /nfs/dbraw/zinc/97/01/52/468970152.db2.gz LFTSLNQCCVRAJS-KRWDZBQOSA-N 0 0 342.443 2.358 40 0 EEABRN Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC000585101920 468971025 /nfs/dbraw/zinc/97/10/25/468971025.db2.gz LNACGJCLUWLICF-FUHWJXTLSA-N 0 0 333.432 2.037 40 0 EEABRN CNC(=O)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111902 468974768 /nfs/dbraw/zinc/97/47/68/468974768.db2.gz ISXKPNBNLSPCHL-ZDUSSCGKSA-N 0 0 336.798 2.369 40 0 EEABRN CCc1nnc(NC(=O)N[C@H](c2ccccc2)C(C)(C)CO)s1 ZINC000585140838 468989759 /nfs/dbraw/zinc/98/97/59/468989759.db2.gz LLGQZYCKGGTWSW-CYBMUJFWSA-N 0 0 334.445 2.982 40 0 EEABRN O=C(Nc1cc(-c2ccncc2)[nH]n1)N[C@@H](C1CC1)C(F)(F)F ZINC000585141770 468992252 /nfs/dbraw/zinc/99/22/52/468992252.db2.gz XVPSNJFAIBTOQF-LBPRGKRZSA-N 0 0 325.294 2.934 40 0 EEABRN Cc1cc(C)nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 ZINC000585149304 468993583 /nfs/dbraw/zinc/99/35/83/468993583.db2.gz IDFXUNQUXPSXTG-UHFFFAOYSA-N 0 0 338.337 2.229 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)ccn1 ZINC000585181494 468995272 /nfs/dbraw/zinc/99/52/72/468995272.db2.gz HVIWQWBGATXZRG-MRXNPFEDSA-N 0 0 349.438 2.879 40 0 EEABRN Cc1ccc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275765 469000888 /nfs/dbraw/zinc/00/08/88/469000888.db2.gz JEAJUFIKLQRONG-LJQANCHMSA-N 0 0 330.403 2.335 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCN(C(=O)c3ccc(C)cn3)C2)cc1 ZINC000585276277 469000930 /nfs/dbraw/zinc/00/09/30/469000930.db2.gz HRJFYLVAUGZABN-IBGZPJMESA-N 0 0 326.396 2.354 40 0 EEABRN COc1cc(C(=O)N2CC[C@@](O)(COc3cccc(C)c3)C2)ccn1 ZINC000585277013 469001809 /nfs/dbraw/zinc/00/18/09/469001809.db2.gz RJEFZBPRQVXOBO-IBGZPJMESA-N 0 0 342.395 2.055 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2cccn2C)C1 ZINC000585277682 469003820 /nfs/dbraw/zinc/00/38/20/469003820.db2.gz OAOWXGSKRHQZAA-SFHVURJKSA-N 0 0 332.375 2.474 40 0 EEABRN COc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000242826193 485536117 /nfs/dbraw/zinc/53/61/17/485536117.db2.gz FNTGPNJQTBTYCY-UHFFFAOYSA-N 0 0 342.395 2.457 40 0 EEABRN Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000187272548 534524388 /nfs/dbraw/zinc/52/43/88/534524388.db2.gz ZEVILRGSXXDCIX-CQSZACIVSA-N 0 0 333.409 2.480 40 0 EEABRN CCOc1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 ZINC000253394087 521468899 /nfs/dbraw/zinc/46/88/99/521468899.db2.gz ACJVNDQVPLOSRA-NJAFHUGGSA-N 0 0 333.428 2.471 40 0 EEABRN C[C@]12CC[C@@H]3C[C@@]1(C(=O)N1CCN(c4ccccn4)CC1)OC[C@@]32C ZINC000000067549 525347671 /nfs/dbraw/zinc/34/76/71/525347671.db2.gz TUCNDMSBQIUJQC-NMLACTOBSA-N 0 0 341.455 2.326 40 0 EEABRN O=S(=O)(c1ccc(N[C@H](CO)c2ccccc2)nc1)N1CCCC1 ZINC000078850381 527277840 /nfs/dbraw/zinc/27/78/40/527277840.db2.gz ZCWKKXMGTQLQMZ-MRXNPFEDSA-N 0 0 347.440 2.012 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000408708547 527727282 /nfs/dbraw/zinc/72/72/82/527727282.db2.gz JVABZJPVBIXNFJ-ZFWWWQNUSA-N 0 0 345.443 2.458 40 0 EEABRN CCCN1CCCN(C(=O)NC[C@@H](C)c2c(C)noc2C)CC1=O ZINC000190225497 528210092 /nfs/dbraw/zinc/21/00/92/528210092.db2.gz FXACTBWPYPHGIG-GFCCVEGCSA-N 0 0 336.436 2.049 40 0 EEABRN CCOC(=O)C1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000181851797 528637282 /nfs/dbraw/zinc/63/72/82/528637282.db2.gz HBQNFPIJYZWWAV-ZDUSSCGKSA-N 0 0 326.437 2.317 40 0 EEABRN CC(C)(O)C(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000225433710 535254347 /nfs/dbraw/zinc/25/43/47/535254347.db2.gz QAXMDPDJMOKDSJ-KRWDZBQOSA-N 0 0 340.423 2.332 40 0 EEABRN CCC(=O)N1CCC(Cc2nccnc2-c2cnc(C)n2C)CC1 ZINC000257239663 535296924 /nfs/dbraw/zinc/29/69/24/535296924.db2.gz HQHJBNKLEPQLBN-UHFFFAOYSA-N 0 0 327.432 2.377 40 0 EEABRN CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000226071769 535771355 /nfs/dbraw/zinc/77/13/55/535771355.db2.gz BTPXAFYQDTZRDU-UHFFFAOYSA-N 0 0 326.462 2.168 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2nc(C)c[nH]2)C1 ZINC000257229944 536797828 /nfs/dbraw/zinc/79/78/28/536797828.db2.gz GACMHSXJHMUITQ-INIZCTEOSA-N 0 0 329.400 2.178 40 0 EEABRN CC[NH+](CC)CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)[O-] ZINC000012480717 1352316194 /nfs/dbraw/zinc/31/61/94/1352316194.db2.gz OBGYFQUYTVMKJM-GJZGRUSLSA-N 0 0 327.469 2.249 40 0 biogenic,in-vitro EEABRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC000675047043 769072416 /nfs/dbraw/zinc/07/24/16/769072416.db2.gz GHFNHQMNGAEHBP-INIZCTEOSA-N 0 0 346.427 2.460 40 0 EEABRN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000051161135 214080997 /nfs/dbraw/zinc/08/09/97/214080997.db2.gz CYZDHQLPZQMWRN-HNNXBMFYSA-N 0 0 338.473 2.230 40 0 EEABRN CCOc1cccc(CNS(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000056071272 214356343 /nfs/dbraw/zinc/35/63/43/214356343.db2.gz VWEXTZVKYTTWDY-UHFFFAOYSA-N 0 0 349.408 2.350 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1F ZINC000057355090 214422057 /nfs/dbraw/zinc/42/20/57/214422057.db2.gz RKARVRCYNPYPBT-YJBOKZPZSA-N 0 0 341.386 2.447 40 0 EEABRN COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)c(OC)c1 ZINC000101274678 219120764 /nfs/dbraw/zinc/12/07/64/219120764.db2.gz KTLLFTVDMLIZKJ-CQSZACIVSA-N 0 0 326.352 2.448 40 0 EEABRN Cc1ccccc1C(=O)N[C@@H](C(=O)/N=c1/sccn1C)C(C)C ZINC000103038774 219249676 /nfs/dbraw/zinc/24/96/76/219249676.db2.gz XSIFOACINXYUET-UFOSLELVSA-N 0 0 331.441 2.277 40 0 EEABRN COc1ccccc1C(=O)Nc1c(F)c(C(=O)N2CCCC2)nn1C ZINC000041070610 213413951 /nfs/dbraw/zinc/41/39/51/213413951.db2.gz ULCUIFJBWFPBAB-UHFFFAOYSA-N 0 0 346.362 2.056 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000153655726 295836332 /nfs/dbraw/zinc/83/63/32/295836332.db2.gz FBKNVTVOKDQUEP-RCCFBDPRSA-N 0 0 342.443 2.270 40 0 EEABRN Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2 ZINC000040386783 213295851 /nfs/dbraw/zinc/29/58/51/213295851.db2.gz JHTYEBMCICLQBZ-SNVBAGLBSA-N 0 0 333.779 2.145 40 0 EEABRN Ic1ncnc2c1ncn2[C@@H]1CCCS1 ZINC000002044464 283041620 /nfs/dbraw/zinc/04/16/20/283041620.db2.gz HERRCYLCJRVSEA-LURJTMIESA-N 0 0 332.170 2.457 40 0 EEABRN CCOc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000038771123 213225858 /nfs/dbraw/zinc/22/58/58/213225858.db2.gz REIHXLFNTNEYGH-UHFFFAOYSA-N 0 0 348.424 2.387 40 0 EEABRN COC(=O)C12C[C@H]3C[C@H](CC(NC(=O)c4snnc4C)(C3)C1)C2 ZINC000038680121 213220373 /nfs/dbraw/zinc/22/03/73/213220373.db2.gz BGIBIGHPIBUEDZ-IUOZQUQDSA-N 0 0 335.429 2.088 40 0 EEABRN CCCn1nnc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000000568927 209667977 /nfs/dbraw/zinc/66/79/77/209667977.db2.gz YEVUCUIIRYMICB-UHFFFAOYSA-N 0 0 332.433 2.333 40 0 EEABRN Cc1cnccc1NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189261014 236810224 /nfs/dbraw/zinc/81/02/24/236810224.db2.gz WODJRUFWVTUHSA-UHFFFAOYSA-N 0 0 326.404 2.345 40 0 EEABRN Cc1cnc(CNC(=O)N2CCSC[C@H]2c2cnn(C)c2)s1 ZINC000189314320 236827306 /nfs/dbraw/zinc/82/73/06/236827306.db2.gz OQOWKFHFNZVSHS-LBPRGKRZSA-N 0 0 337.474 2.185 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@H]1c1cccc(F)c1 ZINC000072241896 216080446 /nfs/dbraw/zinc/08/04/46/216080446.db2.gz QGILMILHDIAOQK-SJLPKXTDSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@H](NC(=O)c1ccccc1)C(=O)/N=c1\sc2ccccc2n1C ZINC000030783142 212709798 /nfs/dbraw/zinc/70/97/98/212709798.db2.gz MIOHSDUPXSWLLH-HGCZGKCMSA-N 0 0 339.420 2.486 40 0 EEABRN Cc1nn(CC(=O)N2CCCCC2)c(=O)c2cc3sccc3n21 ZINC000072334579 216156420 /nfs/dbraw/zinc/15/64/20/216156420.db2.gz CWUNINDPIKCEFE-UHFFFAOYSA-N 0 0 330.413 2.032 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccccc1F ZINC000072324990 216150982 /nfs/dbraw/zinc/15/09/82/216150982.db2.gz RTYNXIZLGWFBPC-ZDUSSCGKSA-N 0 0 343.402 2.470 40 0 EEABRN COCCC(=O)N1[C@@H]2CC[C@H]1[C@]1(C2)CC(=O)c2cc(C)ccc2O1 ZINC000072342955 216159586 /nfs/dbraw/zinc/15/95/86/216159586.db2.gz PPGIIQSZUDQFJB-FMEYXAORSA-N 0 0 329.396 2.499 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 ZINC000072350633 216162532 /nfs/dbraw/zinc/16/25/32/216162532.db2.gz HLONNZVESCUKST-MRXNPFEDSA-N 0 0 348.410 2.006 40 0 EEABRN CC(=O)N1CC[C@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072382417 216182479 /nfs/dbraw/zinc/18/24/79/216182479.db2.gz GLKXNKLFUJWLBJ-AWEZNQCLSA-N 0 0 326.404 2.271 40 0 EEABRN Cc1nc(Nc2cccc(F)c2)cc([C@H]2CCN2S(C)(=O)=O)n1 ZINC000072387176 216187360 /nfs/dbraw/zinc/18/73/60/216187360.db2.gz GRYLUMSHRKMUAG-CQSZACIVSA-N 0 0 336.392 2.374 40 0 EEABRN CC[C@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000072528492 216269510 /nfs/dbraw/zinc/26/95/10/216269510.db2.gz ORSIBWOWUXRUBD-ZFWWWQNUSA-N 0 0 336.457 2.485 40 0 EEABRN Cc1cccnc1CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000074352537 216478660 /nfs/dbraw/zinc/47/86/60/216478660.db2.gz JGDSIHMGAWFZDW-OAHLLOKOSA-N 0 0 344.459 2.370 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1ccnc1C(C)C ZINC000193329258 240110353 /nfs/dbraw/zinc/11/03/53/240110353.db2.gz JONJFVZNVNVZEF-MRXNPFEDSA-N 0 0 341.411 2.133 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C)CC1 ZINC000193497144 240188707 /nfs/dbraw/zinc/18/87/07/240188707.db2.gz ODWUPIQJEMBKNM-KGLIPLIRSA-N 0 0 330.494 2.421 40 0 EEABRN O=C(Nc1cnc(N2CCOCC2)nc1)Nc1ccc(F)cc1F ZINC000075162018 216590876 /nfs/dbraw/zinc/59/08/76/216590876.db2.gz MABFTGISHDXBBU-UHFFFAOYSA-N 0 0 335.314 2.235 40 0 EEABRN CC(=O)c1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1 ZINC000075166305 216593972 /nfs/dbraw/zinc/59/39/72/216593972.db2.gz JRTCBSGNCQYQDU-UHFFFAOYSA-N 0 0 340.383 2.297 40 0 EEABRN COC[C@@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218606872 241335718 /nfs/dbraw/zinc/33/57/18/241335718.db2.gz QMDVDWUIDPCAPX-OKZBNKHCSA-N 0 0 349.427 2.418 40 0 EEABRN Cc1noc(C)c1C(=O)NCc1nnc2cc(C(F)(F)F)ccn21 ZINC000225807337 242046472 /nfs/dbraw/zinc/04/64/72/242046472.db2.gz QVDXZGUXUOFPAF-UHFFFAOYSA-N 0 0 339.277 2.283 40 0 EEABRN O=C(NCCN1CCOCC1)c1ccc2sc(Cl)nc2c1 ZINC000225975296 242084315 /nfs/dbraw/zinc/08/43/15/242084315.db2.gz WALPVMKYJOGCBY-UHFFFAOYSA-N 0 0 325.821 2.012 40 0 EEABRN CC(C)(C)CNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949347 242078932 /nfs/dbraw/zinc/07/89/32/242078932.db2.gz OKJOAWKILGDGOX-ZDUSSCGKSA-N 0 0 346.880 2.483 40 0 EEABRN COCCN(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000225747314 242017505 /nfs/dbraw/zinc/01/75/05/242017505.db2.gz BDYNIVCZZPIBME-UHFFFAOYSA-N 0 0 342.642 2.369 40 0 EEABRN CCn1nc(C)cc1CNC(=O)[C@@H](C)Oc1nn(C)c2ccccc12 ZINC000226755354 242115434 /nfs/dbraw/zinc/11/54/34/242115434.db2.gz MIRUREZBUWGOBB-CYBMUJFWSA-N 0 0 341.415 2.182 40 0 EEABRN CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2CCCc3cccnc32)n1 ZINC000241738542 243000161 /nfs/dbraw/zinc/00/01/61/243000161.db2.gz QYJGDTFPADCDQE-YPMHNXCESA-N 0 0 330.388 2.251 40 0 EEABRN CC(=O)N(CCN1CCN(C(C)=O)CC1)C[C@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000020791487 212171616 /nfs/dbraw/zinc/17/16/16/212171616.db2.gz HRUBGZMAOSUVOK-UWVAXJGDSA-N 0 0 349.519 2.237 40 0 EEABRN Cc1ccc(C(=O)N2CCc3cnn(C)c3[C@H]2COCC2CC2)o1 ZINC000248036945 243509332 /nfs/dbraw/zinc/50/93/32/243509332.db2.gz NBQCHVDYBICTMU-OAHLLOKOSA-N 0 0 329.400 2.488 40 0 EEABRN CN1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000020369432 212123536 /nfs/dbraw/zinc/12/35/36/212123536.db2.gz VFMJSLNUSBQUJC-UHFFFAOYSA-N 0 0 337.423 2.255 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)n1 ZINC000257200107 244119038 /nfs/dbraw/zinc/11/90/38/244119038.db2.gz ACAFBCMEQUCTGL-CQSZACIVSA-N 0 0 334.383 2.200 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)nc(C)n1 ZINC000257203593 244127375 /nfs/dbraw/zinc/12/73/75/244127375.db2.gz AQUGUJYPDVOWSI-INIZCTEOSA-N 0 0 333.432 2.079 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2C(=O)CCc2ccnn2C)ccn1 ZINC000257222093 244187934 /nfs/dbraw/zinc/18/79/34/244187934.db2.gz DRWAIHVWUYAUPK-MRXNPFEDSA-N 0 0 327.432 2.177 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)ccn1 ZINC000257224462 244195007 /nfs/dbraw/zinc/19/50/07/244195007.db2.gz FBYHOSIBGYCPQQ-HNNXBMFYSA-N 0 0 330.432 2.189 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)CCOc2ccccc2F)n1 ZINC000257225481 244197804 /nfs/dbraw/zinc/19/78/04/244197804.db2.gz FGJGUMAEYXRSGT-CQSZACIVSA-N 0 0 333.363 2.226 40 0 EEABRN CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3cnco3)CC2)cn1 ZINC000257227152 244204848 /nfs/dbraw/zinc/20/48/48/244204848.db2.gz FNXWMEVDRIAKJV-CYBMUJFWSA-N 0 0 329.404 2.016 40 0 EEABRN Cn1ccnc1-c1cnc(CC2CCN(c3ncccn3)CC2)cn1 ZINC000257244765 244252674 /nfs/dbraw/zinc/25/26/74/244252674.db2.gz IMRGRAKKSWHTGH-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cccn2C)n1 ZINC000257248452 244263465 /nfs/dbraw/zinc/26/34/65/244263465.db2.gz JDSYMDLNZFPDKC-INIZCTEOSA-N 0 0 326.400 2.034 40 0 EEABRN CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257254012 244276400 /nfs/dbraw/zinc/27/64/00/244276400.db2.gz KBFOBSZDUHYUCS-OAHLLOKOSA-N 0 0 338.415 2.242 40 0 EEABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000020098636 212100697 /nfs/dbraw/zinc/10/06/97/212100697.db2.gz UXIIVYZUCZVCSD-HNNXBMFYSA-N 0 0 333.411 2.379 40 0 EEABRN c1cnc(CC[C@H]2COCCN2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269637 244374210 /nfs/dbraw/zinc/37/42/10/244374210.db2.gz MQTFNMMWVQRWDR-KRWDZBQOSA-N 0 0 341.411 2.081 40 0 EEABRN Cc1noc(C)c1-c1cccc(C(=O)NCc2cnn(C)c2C)n1 ZINC000257260607 244346810 /nfs/dbraw/zinc/34/68/10/244346810.db2.gz LDOBKDQTPOSKSA-UHFFFAOYSA-N 0 0 325.372 2.325 40 0 EEABRN c1cnc(C[C@@H]2CCC3(CCN(c4cncnc4)CC3)CO2)cn1 ZINC000257264985 244357534 /nfs/dbraw/zinc/35/75/34/244357534.db2.gz LWVNQUMOLAOUEY-KRWDZBQOSA-N 0 0 325.416 2.275 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257271542 244381114 /nfs/dbraw/zinc/38/11/14/244381114.db2.gz MYSVCWLGXYNIMB-OAHLLOKOSA-N 0 0 327.432 2.091 40 0 EEABRN CN(C)C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000257295123 244446739 /nfs/dbraw/zinc/44/67/39/244446739.db2.gz QXBKALZSYNGGCN-INIZCTEOSA-N 0 0 347.459 2.369 40 0 EEABRN C[C@@H](NC(=O)CC[C@@]1(C)NC(=O)NC1=O)c1ccc2c(c1)CCCC2 ZINC000019458786 212029626 /nfs/dbraw/zinc/02/96/26/212029626.db2.gz YROSWNZMWFDGTL-CWTRNNRKSA-N 0 0 343.427 2.121 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N(C)C(=O)c1cccc2c1ccn2C ZINC000077941239 217003334 /nfs/dbraw/zinc/00/33/34/217003334.db2.gz HYLRZYDSWGZZFZ-UHFFFAOYSA-N 0 0 347.396 2.244 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000077929943 217000655 /nfs/dbraw/zinc/00/06/55/217000655.db2.gz QGSWAKPEPLGGMM-MRXNPFEDSA-N 0 0 346.349 2.346 40 0 EEABRN O=C(c1cc2c(cccc2F)[nH]1)N(CCO)CCc1ccncc1 ZINC000019345253 212019720 /nfs/dbraw/zinc/01/97/20/212019720.db2.gz JKLGBDBWOCWJBZ-UHFFFAOYSA-N 0 0 327.359 2.379 40 0 EEABRN COCC(=O)N[C@H](C(=O)NC[C@H]1CCCc2ccccc21)C(C)C ZINC000078077295 217019042 /nfs/dbraw/zinc/01/90/42/217019042.db2.gz HOMYRFKWHGUPKH-QAPCUYQASA-N 0 0 332.444 2.010 40 0 EEABRN Cc1ncsc1CNC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000078111555 217023010 /nfs/dbraw/zinc/02/30/10/217023010.db2.gz ZWUBSRWGYBPVBW-CYBMUJFWSA-N 0 0 338.477 2.145 40 0 EEABRN Cn1cc(NC(=O)CN2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000019290722 212011285 /nfs/dbraw/zinc/01/12/85/212011285.db2.gz KZUNFNJWDDQYLK-AWEZNQCLSA-N 0 0 346.406 2.289 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1 ZINC000019117712 212000576 /nfs/dbraw/zinc/00/05/76/212000576.db2.gz WIUJDMQWDAOASM-HNNXBMFYSA-N 0 0 341.411 2.448 40 0 EEABRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000078451936 217055014 /nfs/dbraw/zinc/05/50/14/217055014.db2.gz QOSVIJQRWCTEIR-BYCMXARLSA-N 0 0 348.424 2.250 40 0 EEABRN O=C(N[C@@H](COc1ccccc1)c1ccccc1)[C@@H]1CCC(=O)NC1 ZINC000078659403 217097288 /nfs/dbraw/zinc/09/72/88/217097288.db2.gz QWFIJAWFCZIRCN-AEFFLSMTSA-N 0 0 338.407 2.449 40 0 EEABRN Cc1cc(C)n(Cc2cccc(-c3noc(Cn4cncn4)n3)c2)n1 ZINC000078774676 217118497 /nfs/dbraw/zinc/11/84/97/217118497.db2.gz APNGGVKUPSGWJO-UHFFFAOYSA-N 0 0 335.371 2.238 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000078879553 217137552 /nfs/dbraw/zinc/13/75/52/217137552.db2.gz CBBNKJLVJCDMHW-ZDUSSCGKSA-N 0 0 348.399 2.197 40 0 EEABRN CCCCc1nnc(S[C@@H]2CCN(c3ccccc3F)C2=O)n1N ZINC000079017126 217175635 /nfs/dbraw/zinc/17/56/35/217175635.db2.gz ZWCIOQOYWAEJNI-CYBMUJFWSA-N 0 0 349.435 2.371 40 0 EEABRN Cc1cc(C)n(-c2cncc(N[C@H](C)C(=O)N3CCCC[C@H]3C)n2)n1 ZINC000079353889 217213312 /nfs/dbraw/zinc/21/33/12/217213312.db2.gz MNCDOUNDVQYJNZ-UKRRQHHQSA-N 0 0 342.447 2.481 40 0 EEABRN Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1nc(-c3ccco3)n[nH]1)C2 ZINC000080075051 217276973 /nfs/dbraw/zinc/27/69/73/217276973.db2.gz PCWRXXOMNJVCME-OAHLLOKOSA-N 0 0 338.367 2.301 40 0 EEABRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC1CCC(O)CC1 ZINC000081223771 217370928 /nfs/dbraw/zinc/37/09/28/217370928.db2.gz JPWGBBFQLQGKKS-SSDMNJCBSA-N 0 0 330.350 2.299 40 0 EEABRN O=C(c1c(F)cccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436631 217667904 /nfs/dbraw/zinc/66/79/04/217667904.db2.gz PKJJXQMJDXMHHE-AWEZNQCLSA-N 0 0 326.799 2.008 40 0 EEABRN CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccsc3)n2)CC1 ZINC000089882264 217871105 /nfs/dbraw/zinc/87/11/05/217871105.db2.gz LSYXJXVTPMMBGT-UHFFFAOYSA-N 0 0 344.440 2.060 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 ZINC000012239689 211327504 /nfs/dbraw/zinc/32/75/04/211327504.db2.gz PTYKPCGDRBUKMT-DOMZBBRYSA-N 0 0 338.411 2.118 40 0 EEABRN CCn1ncc(C(=O)N2C[C@@H]3c4nc(C)ncc4CC[C@@H]3C2)c1C ZINC000012232578 211326216 /nfs/dbraw/zinc/32/62/16/211326216.db2.gz NWCQWWOVIDRBPH-ZBFHGGJFSA-N 0 0 325.416 2.112 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)c1cccs1 ZINC000012200341 211318966 /nfs/dbraw/zinc/31/89/66/211318966.db2.gz ORYFYKPLOHLVBX-UKRRQHHQSA-N 0 0 332.429 2.488 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC(C)CC3)n2)s1 ZINC000012181558 211310878 /nfs/dbraw/zinc/31/08/78/211310878.db2.gz CBVMWOACTVPMPE-UHFFFAOYSA-N 0 0 346.456 2.121 40 0 EEABRN Cn1nccc1C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012121703 211299427 /nfs/dbraw/zinc/29/94/27/211299427.db2.gz GWCCZWSPWAQDGQ-UHFFFAOYSA-N 0 0 327.384 2.004 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O ZINC000012117522 211296131 /nfs/dbraw/zinc/29/61/31/211296131.db2.gz FFTPDOLWVFEUJO-UONOGXRCSA-N 0 0 330.432 2.474 40 0 EEABRN CC(C)c1ocnc1C[S@@](=O)CCN1C(=O)c2ccccc2C1=O ZINC000092251813 218130521 /nfs/dbraw/zinc/13/05/21/218130521.db2.gz SEJOGEYENGNZMC-XMMPIXPASA-N 0 0 346.408 2.343 40 0 EEABRN CC(C)(C(=O)NCC1(c2cccs2)CCCC1)S(C)(=O)=O ZINC000095396344 218327877 /nfs/dbraw/zinc/32/78/77/218327877.db2.gz OYBDQFMPAZEODK-UHFFFAOYSA-N 0 0 329.487 2.499 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000096181741 296309726 /nfs/dbraw/zinc/30/97/26/296309726.db2.gz LWKYYJFERTWKLC-DQYPLSBCSA-N 0 0 334.391 2.125 40 0 EEABRN COc1ccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)c(OC)c1 ZINC000007212756 210768557 /nfs/dbraw/zinc/76/85/57/210768557.db2.gz KTLLFTVDMLIZKJ-AWEZNQCLSA-N 0 0 326.352 2.448 40 0 EEABRN CCCS(=O)(=O)N1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096084009 218583192 /nfs/dbraw/zinc/58/31/92/218583192.db2.gz HPKFEPKYHDVOKV-UHFFFAOYSA-N 0 0 331.441 2.284 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC000096108957 218603769 /nfs/dbraw/zinc/60/37/69/218603769.db2.gz PONOZYLPBBJBEF-VQIMIIECSA-N 0 0 342.395 2.288 40 0 EEABRN CCn1nc(C)c2nnn(CC(=O)c3ccc4ccccc4c3)c(=O)c21 ZINC000096182591 218644756 /nfs/dbraw/zinc/64/47/56/218644756.db2.gz QEOKOXJFEFNHIT-UHFFFAOYSA-N 0 0 347.378 2.352 40 0 EEABRN COCCN(Cc1ccccn1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000096426275 218796194 /nfs/dbraw/zinc/79/61/94/218796194.db2.gz UENGSYQPPGHZBX-INIZCTEOSA-N 0 0 330.359 2.199 40 0 EEABRN O=C(Cc1n[nH]c2ccccc12)NC[C@]1(O)CCCc2ccccc21 ZINC000096427015 218797922 /nfs/dbraw/zinc/79/79/22/218797922.db2.gz GVCAHARSGJNOCU-HXUWFJFHSA-N 0 0 335.407 2.446 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000096427283 218799121 /nfs/dbraw/zinc/79/91/21/218799121.db2.gz XLUSBXBVJGLXFO-INIZCTEOSA-N 0 0 329.375 2.202 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cc(F)ccc1C ZINC000096428428 218801276 /nfs/dbraw/zinc/80/12/76/218801276.db2.gz OQISRXKMWBGYAG-LLVKDONJSA-N 0 0 339.436 2.394 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1nc2c(s1)COCC2 ZINC000096434983 218813053 /nfs/dbraw/zinc/81/30/53/218813053.db2.gz SKAKCVWZLJTXNP-VIFPVBQESA-N 0 0 349.460 2.319 40 0 EEABRN C[C@@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000096494004 218871562 /nfs/dbraw/zinc/87/15/62/218871562.db2.gz HQDWFHDJZHLHDZ-PBHICJAKSA-N 0 0 328.416 2.134 40 0 EEABRN COC(=O)[C@H]1CN(Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372995 219017302 /nfs/dbraw/zinc/01/73/02/219017302.db2.gz RKWHIWUDZWMJOQ-CZUORRHYSA-N 0 0 335.448 2.230 40 0 EEABRN Cc1nc(CNC(=O)N2CCN([C@H](C)c3ccsc3)CC2)no1 ZINC000097378498 219019896 /nfs/dbraw/zinc/01/98/96/219019896.db2.gz QIMZJZSFHGBUKP-LLVKDONJSA-N 0 0 335.433 2.028 40 0 EEABRN CC(C)(C)NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113964788 220616077 /nfs/dbraw/zinc/61/60/77/220616077.db2.gz FDIKZFATMNIGIV-UHFFFAOYSA-N 0 0 348.415 2.426 40 0 EEABRN CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 ZINC000072238247 285306297 /nfs/dbraw/zinc/30/62/97/285306297.db2.gz CSARYEUKLOWHAF-HKUYNNGSSA-N 0 0 343.471 2.069 40 0 EEABRN Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1nccs1 ZINC000119328153 221295392 /nfs/dbraw/zinc/29/53/92/221295392.db2.gz RUUFQFLJGVAMNS-UHFFFAOYSA-N 0 0 333.417 2.005 40 0 EEABRN Cc1cnn([C@@H]2CCCN(C(=O)Nc3c(C)ccn(C)c3=O)C2)c1 ZINC000155252714 224384926 /nfs/dbraw/zinc/38/49/26/224384926.db2.gz QNDNGBZWVPBLJJ-CQSZACIVSA-N 0 0 329.404 2.068 40 0 EEABRN CCOC(=O)N1CCN(C(=S)Nc2cccc3cnncc32)CC1 ZINC000408974721 257884783 /nfs/dbraw/zinc/88/47/83/257884783.db2.gz CIZFEJVOODMBNH-UHFFFAOYSA-N 0 0 345.428 2.101 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NC2CCC(C)CC2)cc1OC ZINC000408710277 533479500 /nfs/dbraw/zinc/47/95/00/533479500.db2.gz VPMXSNIWRQHRRP-UHFFFAOYSA-N 0 0 348.443 2.057 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ncnc([C@H]4CCOC4)c3CC2)o1 ZINC000096058678 292065589 /nfs/dbraw/zinc/06/55/89/292065589.db2.gz HCZLBFRKPVBFFK-ZDUSSCGKSA-N 0 0 327.384 2.123 40 0 EEABRN O=S(=O)(N[C@H]1CCCN(c2ccccn2)C1)c1ccc(F)cc1 ZINC000166147990 226150162 /nfs/dbraw/zinc/15/01/62/226150162.db2.gz AYBCHOQZKHUYQS-AWEZNQCLSA-N 0 0 335.404 2.168 40 0 EEABRN O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1noc2c1CCCC2 ZINC000123197776 222232248 /nfs/dbraw/zinc/23/22/48/222232248.db2.gz IMWNBTJOAJHBAG-CQSZACIVSA-N 0 0 325.368 2.217 40 0 EEABRN CC(C)(C)C(=O)N1CC[C@@H](c2c3nccnc3sc2C(N)=O)C1 ZINC000257211694 277128493 /nfs/dbraw/zinc/12/84/93/277128493.db2.gz BZYURRBBMNZSAC-SECBINFHSA-N 0 0 332.429 2.152 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2ccnc(C)n2)cc1 ZINC000257260830 277430262 /nfs/dbraw/zinc/43/02/62/277430262.db2.gz LEOWCHCWEDUVQF-LJQANCHMSA-N 0 0 340.427 2.199 40 0 EEABRN CCS(=O)(=O)c1cnc(N)nc1-c1ccc(Br)cc1 ZINC000096533074 280035002 /nfs/dbraw/zinc/03/50/02/280035002.db2.gz QOIMOMRGLIBYQI-UHFFFAOYSA-N 0 0 342.218 2.282 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113965914 280105545 /nfs/dbraw/zinc/10/55/45/280105545.db2.gz CEOXOFJUGVNTRH-GFCCVEGCSA-N 0 0 330.425 2.287 40 0 EEABRN Cc1cccc(CN2CCc3nc4ccc(F)cc4c(=O)n3CC2)n1 ZINC000019236323 281217619 /nfs/dbraw/zinc/21/76/19/281217619.db2.gz XSYXSZMIRRVPDG-UHFFFAOYSA-N 0 0 338.386 2.297 40 0 EEABRN Cc1cccc(CO[C@@H]2CSC3(CN(c4ncccn4)C3)C2)n1 ZINC000247870912 281219070 /nfs/dbraw/zinc/21/90/70/281219070.db2.gz KVUXENMAIBDKHP-HNNXBMFYSA-N 0 0 328.441 2.461 40 0 EEABRN CN(Cc1nc(-c2ccoc2)no1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097683 289771933 /nfs/dbraw/zinc/77/19/33/289771933.db2.gz ZKJNXXNTAZNUCU-OLZOCXBDSA-N 0 0 339.417 2.117 40 0 EEABRN CC(C)Oc1ccc(CNC(=O)C(=O)NCc2cccs2)cc1 ZINC000298145245 294430712 /nfs/dbraw/zinc/43/07/12/294430712.db2.gz QHPJEYCCRVIDKX-UHFFFAOYSA-N 0 0 332.425 2.468 40 0 EEABRN NC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257274238 295199847 /nfs/dbraw/zinc/19/98/47/295199847.db2.gz NKDJGKTXQZOLDD-LLVKDONJSA-N 0 0 344.440 2.296 40 0 EEABRN CN(C)c1nc(CN2CCOC[C@H]2CC(=O)c2ccccc2)ns1 ZINC000097095940 323320110 /nfs/dbraw/zinc/32/01/10/323320110.db2.gz SYTVXOGRGBICBM-CQSZACIVSA-N 0 0 346.456 2.078 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000097234263 323321009 /nfs/dbraw/zinc/32/10/09/323321009.db2.gz XSZDUEHUXBNKBS-MJEQTWJJSA-N 0 0 336.480 2.160 40 0 EEABRN CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)C2(CCCC2)C1 ZINC000085472726 462550246 /nfs/dbraw/zinc/55/02/46/462550246.db2.gz XWLUFWCCZZDAJW-UHFFFAOYSA-N 0 0 326.396 2.493 40 0 EEABRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)NC2CCCCC2)C1 ZINC000000240112 462550447 /nfs/dbraw/zinc/55/04/47/462550447.db2.gz VGRNJQORFFPPOO-KGLIPLIRSA-N 0 0 331.485 2.475 40 0 EEABRN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CSc2nccc(=O)n2C1 ZINC000085473982 462550643 /nfs/dbraw/zinc/55/06/43/462550643.db2.gz LVCAKZBORVKBAQ-QMMMGPOBSA-N 0 0 339.779 2.396 40 0 EEABRN CSc1ncccc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085559063 462552664 /nfs/dbraw/zinc/55/26/64/462552664.db2.gz GONUUYFDPUDPLL-CQSZACIVSA-N 0 0 330.409 2.202 40 0 EEABRN Cc1ccc2cc(CN(CCO)C(=O)C(F)(F)F)c(=O)[nH]c2c1C ZINC000000416714 462560032 /nfs/dbraw/zinc/56/00/32/462560032.db2.gz AKILVIARPYHIGR-UHFFFAOYSA-N 0 0 342.317 2.028 40 0 EEABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3 ZINC000000415404 462560287 /nfs/dbraw/zinc/56/02/87/462560287.db2.gz BLWMANZCZCCMAS-UHFFFAOYSA-N 0 0 346.408 2.223 40 0 EEABRN COc1c(C)cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1C ZINC000000802701 462573300 /nfs/dbraw/zinc/57/33/00/462573300.db2.gz FOLSGDMMUXUCQN-VXGBXAGGSA-N 0 0 327.446 2.418 40 0 EEABRN CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CCC(C(N)=O)CC1 ZINC000001344622 462579043 /nfs/dbraw/zinc/57/90/43/462579043.db2.gz OZLINPQJPZYEMP-CQSZACIVSA-N 0 0 336.484 2.103 40 0 EEABRN CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCC(C(N)=O)CC1 ZINC000001344624 462579153 /nfs/dbraw/zinc/57/91/53/462579153.db2.gz OZLINPQJPZYEMP-AWEZNQCLSA-N 0 0 336.484 2.103 40 0 EEABRN CCOc1ccccc1-n1nnnc1SCC(=O)N1CCCCC1 ZINC000001357510 462580537 /nfs/dbraw/zinc/58/05/37/462580537.db2.gz YXMBKSJFTLTZHC-UHFFFAOYSA-N 0 0 347.444 2.166 40 0 EEABRN O=S(=O)([C@@H](c1ccccc1)[C@H](O)c1ccccc1)N1CCOCC1 ZINC000001717707 462586656 /nfs/dbraw/zinc/58/66/56/462586656.db2.gz UTWSDDSHGPSCFW-MSOLQXFVSA-N 0 0 347.436 2.123 40 0 EEABRN Cc1nnnn1-c1cccc(NC(=O)NCCc2ccccc2F)c1 ZINC000045689301 462608379 /nfs/dbraw/zinc/60/83/79/462608379.db2.gz AIGGGHPBWLISKV-UHFFFAOYSA-N 0 0 340.362 2.474 40 0 EEABRN CCCCN([C@@H]1CCS(=O)(=O)C1)P(=O)(OCC)OCC ZINC000003156166 462611581 /nfs/dbraw/zinc/61/15/81/462611581.db2.gz LWWSTJPETUNSPT-GFCCVEGCSA-N 0 0 327.383 2.457 40 0 EEABRN C[C@H]1CN(S(=O)(=O)NCC2(c3ccccc3)CCC2)C[C@H](C)O1 ZINC000045772857 462616737 /nfs/dbraw/zinc/61/67/37/462616737.db2.gz ZYHRRZCJDHQAIF-GJZGRUSLSA-N 0 0 338.473 2.052 40 0 EEABRN Cc1cc(C)nc(SCC(=O)N[C@H]2COc3ccccc3C2)n1 ZINC000045786449 462618492 /nfs/dbraw/zinc/61/84/92/462618492.db2.gz JQYVOPCAZQFIIW-CQSZACIVSA-N 0 0 329.425 2.305 40 0 EEABRN C[C@@H](C(=O)N1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956989 462618626 /nfs/dbraw/zinc/61/86/26/462618626.db2.gz BSVVDDQRMHPXJU-NSHDSACASA-N 0 0 346.399 2.132 40 0 EEABRN CC(C)(CNC(=O)CCn1nc2ccccn2c1=O)c1cccs1 ZINC000074646800 462620606 /nfs/dbraw/zinc/62/06/06/462620606.db2.gz NMKXKYQWWVZKLJ-UHFFFAOYSA-N 0 0 344.440 2.042 40 0 EEABRN O=C([C@H]1CCCO1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004111862 462628080 /nfs/dbraw/zinc/62/80/80/462628080.db2.gz YXPZYAMZYGMBTI-ZIAGYGMSSA-N 0 0 341.816 2.163 40 0 EEABRN O=C(NCc1ccc(-n2ccnc2)nc1)c1n[nH]c(C2CC2)c1Cl ZINC000088576977 462637568 /nfs/dbraw/zinc/63/75/68/462637568.db2.gz ZTKGIIXZEKDKIV-UHFFFAOYSA-N 0 0 342.790 2.451 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000004966153 462642335 /nfs/dbraw/zinc/64/23/35/462642335.db2.gz VLELUEMELHUTIO-AWEZNQCLSA-N 0 0 339.399 2.290 40 0 EEABRN Cc1ccc2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)nc2c1 ZINC000046088942 462645889 /nfs/dbraw/zinc/64/58/89/462645889.db2.gz CZCKVXHZEFCWCS-UHFFFAOYSA-N 0 0 347.422 2.291 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000005251584 462652682 /nfs/dbraw/zinc/65/26/82/462652682.db2.gz MOMHEPIXZGMLQV-UHFFFAOYSA-N 0 0 341.411 2.059 40 0 EEABRN COc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N)cc1 ZINC000006096617 462677686 /nfs/dbraw/zinc/67/76/86/462677686.db2.gz JKDKWXGBHCOTDP-UHFFFAOYSA-N 0 0 335.433 2.029 40 0 EEABRN O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000006221844 462679762 /nfs/dbraw/zinc/67/97/62/462679762.db2.gz RVSWOYZSGMDSAF-RYUDHWBXSA-N 0 0 334.235 2.031 40 0 EEABRN CN(N=O)C1=NC2(CCCCC2)[P@@](=O)(NN=c2nccc[nH]2)O1 ZINC000006375242 462684457 /nfs/dbraw/zinc/68/44/57/462684457.db2.gz PIMOIEKPVFJTMD-QHCPKHFHSA-N 0 0 339.296 2.246 40 0 EEABRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cn3C)cn2)CCO1 ZINC000046717111 462698118 /nfs/dbraw/zinc/69/81/18/462698118.db2.gz BEDBVRLSMMMDBH-LBPRGKRZSA-N 0 0 348.834 2.229 40 0 EEABRN COCCNC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000006966754 462714501 /nfs/dbraw/zinc/71/45/01/462714501.db2.gz PTMCZFSLSWIELJ-UHFFFAOYSA-N 0 0 334.445 2.047 40 0 EEABRN COc1ccccc1OCCNC(=O)COc1ccccc1OC ZINC000007842554 462753171 /nfs/dbraw/zinc/75/31/71/462753171.db2.gz DQNRZQOESXKYJS-UHFFFAOYSA-N 0 0 331.368 2.278 40 0 EEABRN Cc1noc(C)c1[C@H](C)NC(=O)c1cc(N2CCOCC2)ccn1 ZINC000130921703 462782976 /nfs/dbraw/zinc/78/29/76/462782976.db2.gz IKECYFKTSMDHOE-NSHDSACASA-N 0 0 330.388 2.014 40 0 EEABRN CCN(CC(=O)Nc1c(C)nn(C)c1C)C[C@H](O)c1ccc(C)cc1 ZINC000076016132 462785059 /nfs/dbraw/zinc/78/50/59/462785059.db2.gz VHGBTNULVWZSRC-KRWDZBQOSA-N 0 0 344.459 2.339 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(-c3cnccn3)n2)C1 ZINC000012239521 462848419 /nfs/dbraw/zinc/84/84/19/462848419.db2.gz DEKITGLVCFZBCO-JHJVBQTASA-N 0 0 339.399 2.001 40 0 EEABRN CC[C@H](C(=O)NC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712940 462901637 /nfs/dbraw/zinc/90/16/37/462901637.db2.gz RWHIFJSJHPJICA-CQSZACIVSA-N 0 0 326.462 2.454 40 0 EEABRN c1c2c(cc3nc4c(cc13)CN(C[C@@H]1CCCO1)CCO4)OCO2 ZINC000019292533 463016404 /nfs/dbraw/zinc/01/64/04/463016404.db2.gz MERINQOTBCLHKZ-AWEZNQCLSA-N 0 0 328.368 2.337 40 0 EEABRN CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706178 463020954 /nfs/dbraw/zinc/02/09/54/463020954.db2.gz YENXBIUKBXDTHO-MRXNPFEDSA-N 0 0 339.443 2.133 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)cc1C ZINC000077842407 463060563 /nfs/dbraw/zinc/06/05/63/463060563.db2.gz QNTLUUGQXPXCHC-UHFFFAOYSA-N 0 0 330.388 2.107 40 0 EEABRN COc1ccc(NCc2nc([C@H](N)c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533544 463107659 /nfs/dbraw/zinc/10/76/59/463107659.db2.gz IITDDIGKFXKCNU-QGZVFWFLSA-N 0 0 339.399 2.482 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)c1 ZINC000096041846 463146312 /nfs/dbraw/zinc/14/63/12/463146312.db2.gz GDMISHMWLQCXFZ-IPMKNSEASA-N 0 0 342.443 2.117 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041861 463146619 /nfs/dbraw/zinc/14/66/19/463146619.db2.gz MIYJTWWEUOPCFI-LZLYRXPVSA-N 0 0 329.400 2.497 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 ZINC000096043271 463148142 /nfs/dbraw/zinc/14/81/42/463148142.db2.gz AYRJRFMLXCJLQE-UAGQMJEPSA-N 0 0 327.384 2.293 40 0 EEABRN CCn1ncc2c1CN(Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096044570 463148597 /nfs/dbraw/zinc/14/85/97/463148597.db2.gz DJJKKFILDNMUMW-AWEZNQCLSA-N 0 0 329.400 2.378 40 0 EEABRN Cc1noc([C@H]2C[C@H]3CN(C(=O)Cc4ccsc4)CC[C@H]3O2)n1 ZINC000096043645 463148696 /nfs/dbraw/zinc/14/86/96/463148696.db2.gz QCDUTBKKZOJYRH-BFHYXJOUSA-N 0 0 333.413 2.361 40 0 EEABRN Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccsc4)C[C@@H]32)o1 ZINC000096043521 463148894 /nfs/dbraw/zinc/14/88/94/463148894.db2.gz NDGHXLQREZFLHA-RBSFLKMASA-N 0 0 347.440 2.403 40 0 EEABRN O=C(NCC1CC1)[C@H]1Cn2nccc2CN(Cc2cccs2)C1 ZINC000096044181 463149445 /nfs/dbraw/zinc/14/94/45/463149445.db2.gz HHMHSNTVWZRQHS-CQSZACIVSA-N 0 0 330.457 2.103 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050803 463155225 /nfs/dbraw/zinc/15/52/25/463155225.db2.gz OABQLZVQNKKNJD-SFHVURJKSA-N 0 0 325.368 2.252 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC000096055464 463157822 /nfs/dbraw/zinc/15/78/22/463157822.db2.gz JXSQPIOJQZDNON-HYVNUMGLSA-N 0 0 339.395 2.175 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 ZINC000096061464 463161008 /nfs/dbraw/zinc/16/10/08/463161008.db2.gz XTAJBUOQBJFCMX-INIZCTEOSA-N 0 0 339.395 2.262 40 0 EEABRN CCc1cnc(N2CC[C@]3(CCN(Cc4ccccn4)C3=O)C2)nc1 ZINC000096063218 463163360 /nfs/dbraw/zinc/16/33/60/463163360.db2.gz VAHFSGRHSNTIQA-LJQANCHMSA-N 0 0 337.427 2.063 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096065922 463164104 /nfs/dbraw/zinc/16/41/04/463164104.db2.gz OQTWLRPAGKMMAZ-KURKYZTESA-N 0 0 339.395 2.236 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000053455503 463165285 /nfs/dbraw/zinc/16/52/85/463165285.db2.gz VAACKTHTNNAUNT-LLVKDONJSA-N 0 0 346.412 2.253 40 0 EEABRN CCO[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1Cc1ccncc1 ZINC000096069989 463165446 /nfs/dbraw/zinc/16/54/46/463165446.db2.gz QIKQMKACJVPNEU-IRXDYDNUSA-N 0 0 329.375 2.478 40 0 EEABRN CC(C)NC(=O)[C@H]1CCC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC000096075173 463169611 /nfs/dbraw/zinc/16/96/11/463169611.db2.gz BKQXAIPBMUEUMX-AWEZNQCLSA-N 0 0 330.432 2.024 40 0 EEABRN COc1cccc(C(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 ZINC000096098578 463171892 /nfs/dbraw/zinc/17/18/92/463171892.db2.gz NECGMTWHSCFVLA-UHFFFAOYSA-N 0 0 342.399 2.191 40 0 EEABRN Cc1ccc(CNC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)o1 ZINC000096100994 463173193 /nfs/dbraw/zinc/17/31/93/463173193.db2.gz YYYQWESYIWCPLT-UHFFFAOYSA-N 0 0 344.415 2.268 40 0 EEABRN Cc1cccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)n1 ZINC000096160339 463190157 /nfs/dbraw/zinc/19/01/57/463190157.db2.gz FOUPCEYZMWPNOB-MOPGFXCFSA-N 0 0 342.443 2.037 40 0 EEABRN COc1ccc(NC(=O)Nc2c(C)n(C)nc2C(=O)N(C)C)cc1 ZINC000096182451 463194718 /nfs/dbraw/zinc/19/47/18/463194718.db2.gz WSQIBCUGRMOONU-UHFFFAOYSA-N 0 0 331.376 2.083 40 0 EEABRN Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cscn1)CC2 ZINC000096197784 463202772 /nfs/dbraw/zinc/20/27/72/463202772.db2.gz UDTKEQRBJUHTCX-AWEZNQCLSA-N 0 0 332.429 2.043 40 0 EEABRN COCCN1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000096202847 463208394 /nfs/dbraw/zinc/20/83/94/463208394.db2.gz KBFJJXXVAMGPPE-UHFFFAOYSA-N 0 0 336.819 2.051 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@@]3(C2)CCCN(c2nncs2)C3)c1 ZINC000096217181 463215260 /nfs/dbraw/zinc/21/52/60/463215260.db2.gz RWAVHSCOOPSUAN-QGZVFWFLSA-N 0 0 343.456 2.374 40 0 EEABRN CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cccnc2)n1 ZINC000096220548 463218201 /nfs/dbraw/zinc/21/82/01/463218201.db2.gz AWJISVLEPCZUND-INIZCTEOSA-N 0 0 327.432 2.291 40 0 EEABRN COc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028283964 463221635 /nfs/dbraw/zinc/22/16/35/463221635.db2.gz HCJFDWLHTHXKCN-CHWSQXEVSA-N 0 0 348.424 2.432 40 0 EEABRN O=C(c1ccsc1)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240867 463226002 /nfs/dbraw/zinc/22/60/02/463226002.db2.gz WGGLOWQSVGBHMX-OAHLLOKOSA-N 0 0 348.468 2.239 40 0 EEABRN CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC)c1ccccc1O2 ZINC000096243035 463226018 /nfs/dbraw/zinc/22/60/18/463226018.db2.gz LMZRITIKHRXCLF-AWEZNQCLSA-N 0 0 330.428 2.460 40 0 EEABRN NC(=O)c1nc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000096264767 463231638 /nfs/dbraw/zinc/23/16/38/463231638.db2.gz BXXIYRAGXVYTCZ-UHFFFAOYSA-N 0 0 335.816 2.136 40 0 EEABRN CC(C)NC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 ZINC000096296338 463234238 /nfs/dbraw/zinc/23/42/38/463234238.db2.gz AYVXRESESSBEEN-AWEZNQCLSA-N 0 0 332.379 2.296 40 0 biogenic,in-vitro EEABRN CC(C)Sc1ccc(CC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000096365079 463236193 /nfs/dbraw/zinc/23/61/93/463236193.db2.gz AZVPHWSZVGCPEM-OAHLLOKOSA-N 0 0 341.498 2.375 40 0 EEABRN O=S(=O)(c1cc(F)c(F)cc1F)N(C[C@H]1CCOC1)C1CC1 ZINC000096404255 463238274 /nfs/dbraw/zinc/23/82/74/463238274.db2.gz OYMONQNUUVGARM-SECBINFHSA-N 0 0 335.347 2.294 40 0 EEABRN O=C(CSc1nnnn1CCc1cccs1)Nc1cccnc1 ZINC000096404014 463238619 /nfs/dbraw/zinc/23/86/19/463238619.db2.gz WZMWAKBFHCLOAQ-UHFFFAOYSA-N 0 0 346.441 2.103 40 0 EEABRN COC[C@H](O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000096408653 463241656 /nfs/dbraw/zinc/24/16/56/463241656.db2.gz VPEIWWQULIOURU-LLVKDONJSA-N 0 0 342.321 2.001 40 0 EEABRN CCc1ccc([C@@H]2COCCN2CC(=O)N(C)Cc2ccco2)o1 ZINC000096413012 463244582 /nfs/dbraw/zinc/24/45/82/463244582.db2.gz SIDQMLSIIVFAIK-INIZCTEOSA-N 0 0 332.400 2.467 40 0 EEABRN Cc1cccc(N(C)C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)n1 ZINC000096418343 463250544 /nfs/dbraw/zinc/25/05/44/463250544.db2.gz HSLVFPDJYBXSIU-LBPRGKRZSA-N 0 0 336.388 2.354 40 0 EEABRN Cc1ccc(C(=O)N2CCN(CCOC[C@H]3CCCO3)CC2)s1 ZINC000096421078 463251716 /nfs/dbraw/zinc/25/17/16/463251716.db2.gz VSHISNBFCHQOPQ-OAHLLOKOSA-N 0 0 338.473 2.010 40 0 EEABRN O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccoc1)C1CCCCC1 ZINC000096423071 463253988 /nfs/dbraw/zinc/25/39/88/463253988.db2.gz JIFCBRBLQATFKK-CQSZACIVSA-N 0 0 325.430 2.376 40 0 EEABRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000096425560 463254773 /nfs/dbraw/zinc/25/47/73/463254773.db2.gz XIFDPBRPRSXZNA-CQSZACIVSA-N 0 0 348.410 2.395 40 0 EEABRN COc1ccc([C@@H](CNc2nc(C)ns2)N2CCOCC2)cc1 ZINC000096427287 463257016 /nfs/dbraw/zinc/25/70/16/463257016.db2.gz SFEXOWDVHBPHHF-OAHLLOKOSA-N 0 0 334.445 2.341 40 0 EEABRN C[C@@H](NS(=O)(=O)CCc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000096428169 463258207 /nfs/dbraw/zinc/25/82/07/463258207.db2.gz LWVIBHYEEFCXSE-DYVFJYSZSA-N 0 0 337.416 2.410 40 0 EEABRN CCc1nc2cc(NC(=O)NCCn3cnnc3CC)ccc2o1 ZINC000096434971 463262215 /nfs/dbraw/zinc/26/22/15/463262215.db2.gz NTTMHDYQTBQZSW-UHFFFAOYSA-N 0 0 328.376 2.366 40 0 EEABRN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCS(C)(=O)=O)CC1 ZINC000096435792 463263977 /nfs/dbraw/zinc/26/39/77/463263977.db2.gz RUZVFKRWUZCORK-ZDUSSCGKSA-N 0 0 330.881 2.063 40 0 EEABRN Cc1ncsc1CCSc1nnc([C@@H]2CCCCO2)n1N ZINC000096436705 463264666 /nfs/dbraw/zinc/26/46/66/463264666.db2.gz YVPWMOAPDDLNQG-JTQLQIEISA-N 0 0 325.463 2.333 40 0 EEABRN Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 ZINC000096443157 463268199 /nfs/dbraw/zinc/26/81/99/463268199.db2.gz CYILARCODLXTEY-PBHICJAKSA-N 0 0 330.428 2.280 40 0 EEABRN Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000096445080 463270137 /nfs/dbraw/zinc/27/01/37/463270137.db2.gz UAHMDNUJSSVJLE-QGZVFWFLSA-N 0 0 336.399 2.368 40 0 EEABRN CC(C)CO[C@@H]1CCN(C(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000096468946 463277980 /nfs/dbraw/zinc/27/79/80/463277980.db2.gz KXSXXHVZNGJUHR-IQMFZBJNSA-N 0 0 338.473 2.381 40 0 EEABRN CC(C)Nc1c(Cl)cccc1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000096475868 463280508 /nfs/dbraw/zinc/28/05/08/463280508.db2.gz MDPJHEWDVHQNON-NSHDSACASA-N 0 0 340.855 2.165 40 0 EEABRN C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000096485915 463283458 /nfs/dbraw/zinc/28/34/58/463283458.db2.gz HCGYXNCIENVKEV-ABAIWWIYSA-N 0 0 343.830 2.340 40 0 EEABRN CN(C)c1cccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 ZINC000096491824 463286448 /nfs/dbraw/zinc/28/64/48/463286448.db2.gz ZOQZREYMPGAKCY-UHFFFAOYSA-N 0 0 345.365 2.351 40 0 EEABRN COc1cc(Br)ccc1CCCN1CCCS1(=O)=O ZINC000096501926 463291183 /nfs/dbraw/zinc/29/11/83/463291183.db2.gz HRMQWWRQULBGIW-UHFFFAOYSA-N 0 0 348.262 2.426 40 0 EEABRN O=C(CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000096500922 463292055 /nfs/dbraw/zinc/29/20/55/463292055.db2.gz QIHLKZSJAXNIDD-AWEZNQCLSA-N 0 0 328.334 2.357 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096503296 463293122 /nfs/dbraw/zinc/29/31/22/463293122.db2.gz WAHMZKDKUXCPMP-WTIISPKJSA-N 0 0 338.370 2.289 40 0 EEABRN CCN1C[C@@H](COC(=O)c2cc(-c3csc(C)n3)cn2C)CC1=O ZINC000097102383 463324277 /nfs/dbraw/zinc/32/42/77/463324277.db2.gz RTMOJBKXSZPYMB-LBPRGKRZSA-N 0 0 347.440 2.482 40 0 EEABRN CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC[C@@H]1CCCCO1 ZINC000097235942 463352849 /nfs/dbraw/zinc/35/28/49/463352849.db2.gz MHEBYHLYXMXHKZ-OUWJGKLISA-N 0 0 330.494 2.325 40 0 EEABRN Cn1cnc(-c2cccc(NC(=O)NC[C@@H](O)c3ccccc3)c2)n1 ZINC000097373467 463355287 /nfs/dbraw/zinc/35/52/87/463355287.db2.gz SMMFHYPXZXAQNX-MRXNPFEDSA-N 0 0 337.383 2.337 40 0 EEABRN COC(=O)C1(C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2)CC1 ZINC000097380066 463357843 /nfs/dbraw/zinc/35/78/43/463357843.db2.gz MORYKBYSWCUPAG-ZDUSSCGKSA-N 0 0 334.391 2.172 40 0 EEABRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000071195910 463411728 /nfs/dbraw/zinc/41/17/28/463411728.db2.gz WCJKVLSFMGEHDA-ZUZCIYMTSA-N 0 0 333.823 2.465 40 0 EEABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H](O)C2=O ZINC000036371967 463435237 /nfs/dbraw/zinc/43/52/37/463435237.db2.gz VVINKEMRHIOYTI-IMYJVRNTSA-N 0 0 334.456 2.499 40 0 EEABRN CC(C)(C)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)nn1 ZINC000162979825 463554117 /nfs/dbraw/zinc/55/41/17/463554117.db2.gz GCFYPKBDJMYCLW-CQSZACIVSA-N 0 0 328.416 2.499 40 0 EEABRN C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000043919880 463661952 /nfs/dbraw/zinc/66/19/52/463661952.db2.gz CNANNVGRFLVHFR-JTQLQIEISA-N 0 0 325.336 2.465 40 0 EEABRN O=C(NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000043995879 463665107 /nfs/dbraw/zinc/66/51/07/463665107.db2.gz ISFCEYGVWZACJU-UHFFFAOYSA-N 0 0 337.335 2.438 40 0 EEABRN C[C@H]1CCN(C(=O)CN2CCCC[C@@H]2C(N)=O)c2ccccc2S1 ZINC000044867540 463697289 /nfs/dbraw/zinc/69/72/89/463697289.db2.gz NNLSIDDHAPQUNQ-DZGCQCFKSA-N 0 0 347.484 2.244 40 0 EEABRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000044872398 463697742 /nfs/dbraw/zinc/69/77/42/463697742.db2.gz XFBSLQZNKPLVGS-UHFFFAOYSA-N 0 0 345.366 2.364 40 0 EEABRN O=C(c1cn(Cc2ccccc2)nn1)N1CCN(c2ccccc2)CC1 ZINC000044896105 463699605 /nfs/dbraw/zinc/69/96/05/463699605.db2.gz RTMDXFVKRUCRBR-UHFFFAOYSA-N 0 0 347.422 2.289 40 0 EEABRN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000170891031 463734614 /nfs/dbraw/zinc/73/46/14/463734614.db2.gz UFILULFUPZZKIK-LBPRGKRZSA-N 0 0 343.408 2.457 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)CCOc3ccccc3F)CCO2)n1 ZINC000257282425 463759568 /nfs/dbraw/zinc/75/95/68/463759568.db2.gz OTSUAVQAWDGPLG-MRXNPFEDSA-N 0 0 347.390 2.237 40 0 EEABRN O=C(CCc1c[nH]c2ccccc12)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257282847 463762085 /nfs/dbraw/zinc/76/20/85/463762085.db2.gz OVOIWPZDHCSYEJ-HKUYNNGSSA-N 0 0 328.412 2.243 40 0 EEABRN O=S(=O)(c1cccs1)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257289917 463764815 /nfs/dbraw/zinc/76/48/15/463764815.db2.gz QATZXBLCVJKHAP-UHFFFAOYSA-N 0 0 348.453 2.359 40 0 EEABRN CC(C)n1nccc1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 ZINC000257298018 463766709 /nfs/dbraw/zinc/76/67/09/463766709.db2.gz RJTWNFYPNGTEFQ-INIZCTEOSA-N 0 0 342.447 2.293 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCN2C)cc1 ZINC000257300633 463768987 /nfs/dbraw/zinc/76/89/87/463768987.db2.gz RVDFTMIPOXJHLW-GOSISDBHSA-N 0 0 342.443 2.093 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 ZINC000257301578 463769132 /nfs/dbraw/zinc/76/91/32/463769132.db2.gz RZAOYTYLEDQUAO-HKUYNNGSSA-N 0 0 326.396 2.435 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 ZINC000257301487 463769358 /nfs/dbraw/zinc/76/93/58/463769358.db2.gz RYQMSSVZRFGTGB-INIZCTEOSA-N 0 0 344.415 2.261 40 0 EEABRN O=C(CCn1ncc2ccccc21)N1CCO[C@@H](c2ccncc2)C1 ZINC000257306016 463770486 /nfs/dbraw/zinc/77/04/86/463770486.db2.gz SSNCFSQAUKEIFY-GOSISDBHSA-N 0 0 336.395 2.422 40 0 EEABRN Cc1nc(N)cc([C@@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)n1 ZINC000257314774 463775110 /nfs/dbraw/zinc/77/51/10/463775110.db2.gz UYJSIECHXZSEIK-HNNXBMFYSA-N 0 0 336.399 2.301 40 0 EEABRN CNC(=O)[C@]1(CCCc2cccnc2)CCCN(c2ncccn2)C1 ZINC000257322386 463777860 /nfs/dbraw/zinc/77/78/60/463777860.db2.gz WFTUBNCQCSSJEJ-LJQANCHMSA-N 0 0 339.443 2.227 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)nc(C)n1 ZINC000257327350 463780249 /nfs/dbraw/zinc/78/02/49/463780249.db2.gz XBALJYDHUIBKGN-OAHLLOKOSA-N 0 0 338.415 2.471 40 0 EEABRN CCn1nc(C(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)cc1C ZINC000257330674 463780917 /nfs/dbraw/zinc/78/09/17/463780917.db2.gz XPKXQINYFZLSPW-KRWDZBQOSA-N 0 0 342.447 2.040 40 0 EEABRN COc1ccccc1CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(C)=O ZINC000257331033 463781290 /nfs/dbraw/zinc/78/12/90/463781290.db2.gz XRCQTMSRNBTVQW-ZWKOTPCHSA-N 0 0 344.455 2.487 40 0 EEABRN Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)c1 ZINC000257338319 463784510 /nfs/dbraw/zinc/78/45/10/463784510.db2.gz YWWMXGBRVHDNKE-QZTJIDSGSA-N 0 0 327.380 2.317 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccccc2OC)n1 ZINC000257344652 463787619 /nfs/dbraw/zinc/78/76/19/463787619.db2.gz ZYEGCLKHJPGBNE-CQSZACIVSA-N 0 0 342.399 2.049 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)NCc1ccc(C2CCC2)cc1 ZINC000276907060 463802102 /nfs/dbraw/zinc/80/21/02/463802102.db2.gz BGKLGAUDFQEXLW-UHFFFAOYSA-N 0 0 330.428 2.209 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)F ZINC000194691946 463910909 /nfs/dbraw/zinc/91/09/09/463910909.db2.gz LNBIPCLMFMIHKJ-JTQLQIEISA-N 0 0 334.269 2.165 40 0 EEABRN O=C(CS(=O)(=O)c1ccccn1)N[C@H](c1ccccc1)C1CC1 ZINC000195001801 463973566 /nfs/dbraw/zinc/97/35/66/463973566.db2.gz YCDALJAPTFBQEF-QGZVFWFLSA-N 0 0 330.409 2.123 40 0 EEABRN CC(C)Cn1ncc(C(=O)N(C)C2(C(N)=O)CCCC2)c1C(F)F ZINC000195576482 464079959 /nfs/dbraw/zinc/07/99/59/464079959.db2.gz KTNRNEGEOYVFIO-UHFFFAOYSA-N 0 0 342.390 2.347 40 0 EEABRN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000195574593 464080158 /nfs/dbraw/zinc/08/01/58/464080158.db2.gz HBDIOPLLKQUHPX-DETPVDSQSA-N 0 0 345.411 2.336 40 0 EEABRN C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000172570940 464108766 /nfs/dbraw/zinc/10/87/66/464108766.db2.gz QKQRKRPFLKSKKF-CYBMUJFWSA-N 0 0 344.436 2.235 40 0 EEABRN CC(=O)N1CC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187327752 464117477 /nfs/dbraw/zinc/11/74/77/464117477.db2.gz FYJDUZSLXOENDC-UHFFFAOYSA-N 0 0 340.345 2.375 40 0 EEABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 ZINC000223711596 464146565 /nfs/dbraw/zinc/14/65/65/464146565.db2.gz VZBXFFXCUUVZAW-CVEARBPZSA-N 0 0 344.440 2.335 40 0 EEABRN CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000224164888 464148342 /nfs/dbraw/zinc/14/83/42/464148342.db2.gz BFXALJBKDWLIGY-UHFFFAOYSA-N 0 0 336.388 2.401 40 0 EEABRN Cc1ccc(C(=O)N2CCOCC2)c(I)c1 ZINC000225008546 464152852 /nfs/dbraw/zinc/15/28/52/464152852.db2.gz RDDPCSMXLIFUNS-UHFFFAOYSA-N 0 0 331.153 2.072 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1N1CCCC1=O ZINC000225213340 464154794 /nfs/dbraw/zinc/15/47/94/464154794.db2.gz ZQKFVSGRCGISHK-GFCCVEGCSA-N 0 0 340.445 2.145 40 0 EEABRN Cc1csc([C@@H]2COCCN2S(=O)(=O)c2cccs2)n1 ZINC000189152414 464445769 /nfs/dbraw/zinc/44/57/69/464445769.db2.gz ILWAUSZVEZLEGU-JTQLQIEISA-N 0 0 330.456 2.275 40 0 EEABRN Cc1cccc(CC(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1 ZINC000240067963 464445725 /nfs/dbraw/zinc/44/57/25/464445725.db2.gz SFKBTWNKCYAWRB-UHFFFAOYSA-N 0 0 342.418 2.499 40 0 EEABRN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000244428823 464460482 /nfs/dbraw/zinc/46/04/82/464460482.db2.gz YXWOJSPSKPVHOS-MRXNPFEDSA-N 0 0 330.428 2.142 40 0 EEABRN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1c(F)cccc1Cl ZINC000189852704 464556523 /nfs/dbraw/zinc/55/65/23/464556523.db2.gz SWGZGNAYROXNRD-OUAUKWLOSA-N 0 0 330.787 2.331 40 0 EEABRN COc1cccc(CN2CC3(C2)C[C@H](Oc2ncccn2)CCO3)c1 ZINC000247886671 464711692 /nfs/dbraw/zinc/71/16/92/464711692.db2.gz LGCIWPXOUPYINQ-QGZVFWFLSA-N 0 0 341.411 2.298 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000247992376 464721711 /nfs/dbraw/zinc/72/17/11/464721711.db2.gz BDHRSQIOVCTMQO-CQDKDKBSSA-N 0 0 341.411 2.481 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCCc1cccs1)CN(C1CCC1)C2 ZINC000248037062 464725939 /nfs/dbraw/zinc/72/59/39/464725939.db2.gz NDUYZBACBSXJBC-OAHLLOKOSA-N 0 0 344.484 2.292 40 0 EEABRN Cc1cc(C)nc(SCC(=O)N2CCO[C@H](c3ccco3)C2)n1 ZINC000176727595 464834707 /nfs/dbraw/zinc/83/47/07/464834707.db2.gz VEZZPUHKXDNVQY-AWEZNQCLSA-N 0 0 333.413 2.379 40 0 EEABRN Cc1ccc(CN2CC[C@@H](NC(=O)CCc3ccncc3)C2=O)cc1 ZINC000192293032 464899905 /nfs/dbraw/zinc/89/99/05/464899905.db2.gz CFMDCXZHXOFWRM-GOSISDBHSA-N 0 0 337.423 2.240 40 0 EEABRN CCCOc1cccc2c(N3CC[C@@H]4OCC(=O)N[C@@H]4C3)ccnc12 ZINC000252479171 464960857 /nfs/dbraw/zinc/96/08/57/464960857.db2.gz BALGAMXFGUCPAB-ZBFHGGJFSA-N 0 0 341.411 2.117 40 0 EEABRN CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000252489714 464967164 /nfs/dbraw/zinc/96/71/64/464967164.db2.gz JYDPPABQLRYYGO-UHFFFAOYSA-N 0 0 341.410 2.456 40 0 EEABRN Cc1noc(CCCNC(=O)c2cccnc2O[C@H]2CCSC2)n1 ZINC000252492546 464968199 /nfs/dbraw/zinc/96/81/99/464968199.db2.gz MOXVNKJQYZFAIC-LBPRGKRZSA-N 0 0 348.428 2.020 40 0 EEABRN CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000252585317 464983770 /nfs/dbraw/zinc/98/37/70/464983770.db2.gz HSCYOJPAYHEMHB-YEWWUXTCSA-N 0 0 348.374 2.261 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCC[C@@H]1CCCCO1 ZINC000253370108 464995354 /nfs/dbraw/zinc/99/53/54/464995354.db2.gz MHEBYHLYXMXHKZ-HBOVIKQASA-N 0 0 330.494 2.325 40 0 EEABRN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000253421156 465008638 /nfs/dbraw/zinc/00/86/38/465008638.db2.gz QXQLONQJMISCPJ-CYBMUJFWSA-N 0 0 325.372 2.280 40 0 EEABRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000253430001 465013838 /nfs/dbraw/zinc/01/38/38/465013838.db2.gz WCAGBMNYJQCRCW-FSDCSDTHSA-N 0 0 333.432 2.322 40 0 EEABRN COC(=O)c1cn([C@H]2CCN(Cc3cc(F)ccc3Cl)C2)nn1 ZINC000253433662 465014835 /nfs/dbraw/zinc/01/48/35/465014835.db2.gz ZUYANWOPQNTOCD-LBPRGKRZSA-N 0 0 338.770 2.304 40 0 EEABRN COc1ccc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1F ZINC000253471273 465015226 /nfs/dbraw/zinc/01/52/26/465015226.db2.gz BRJGRILQXJSOEI-CYBMUJFWSA-N 0 0 330.363 2.390 40 0 EEABRN CCCN1Cc2c(C(=O)NCC3CC3)cnn2-c2ncccc2C1 ZINC000306123370 466487627 /nfs/dbraw/zinc/48/76/27/466487627.db2.gz ALQOTOJYBVFTSC-UHFFFAOYSA-N 0 0 325.416 2.133 40 0 EEABRN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1ccccc1 ZINC000408535864 466680404 /nfs/dbraw/zinc/68/04/04/466680404.db2.gz UFFVGTCPYCLRJY-UHFFFAOYSA-N 0 0 332.385 2.135 40 0 EEABRN O=C(CSCc1c(F)cccc1Cl)NCCN1CCOCC1 ZINC000408563426 466680780 /nfs/dbraw/zinc/68/07/80/466680780.db2.gz MPWIQGYKFWPTIE-UHFFFAOYSA-N 0 0 346.855 2.161 40 0 EEABRN CCOC(=O)CCCC1=C(C2=NC(=O)N=C2C)N2CCN=C2S1 ZINC000409419068 466687779 /nfs/dbraw/zinc/68/77/79/466687779.db2.gz PXYYYOVQYWOHQB-UHFFFAOYSA-N 0 0 334.401 2.385 40 0 EEABRN COc1cccnc1NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000390833875 467414001 /nfs/dbraw/zinc/41/40/01/467414001.db2.gz OHVVIHRTMYXLEA-CQSZACIVSA-N 0 0 344.419 2.243 40 0 EEABRN COCC1(NC(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CCC1 ZINC000390835567 467415226 /nfs/dbraw/zinc/41/52/26/467415226.db2.gz QWCYTKAXRJTEAI-UHFFFAOYSA-N 0 0 333.432 2.444 40 0 EEABRN CN1C(=O)c2ccccc2O[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 ZINC000514289879 467941918 /nfs/dbraw/zinc/94/19/18/467941918.db2.gz PPZWWCANCRPYPC-WBVHZDCISA-N 0 0 343.814 2.452 40 0 biogenic,in-vitro EEABRN COCC[C@H]1CO[C@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@@H]12 ZINC000575404638 468141568 /nfs/dbraw/zinc/14/15/68/468141568.db2.gz CXZWWUXYHSAYII-YEWWUXTCSA-N 0 0 328.412 2.302 40 0 EEABRN O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc(F)cc1Cl ZINC000575607530 468146920 /nfs/dbraw/zinc/14/69/20/468146920.db2.gz IMBIZVMQBTVJCH-UHFFFAOYSA-N 0 0 335.766 2.343 40 0 EEABRN Cc1ncc(CN2CC[C@]23CCCN(C(=O)[C@H]2CCCO2)C3)s1 ZINC000585101854 468969426 /nfs/dbraw/zinc/96/94/26/468969426.db2.gz IZTYWGHSDCZWBA-WBVHZDCISA-N 0 0 335.473 2.197 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cccs1)C2 ZINC000585103570 468970011 /nfs/dbraw/zinc/97/00/11/468970011.db2.gz XWOUFGYGNYGWTJ-DYVFJYSZSA-N 0 0 336.457 2.143 40 0 EEABRN O=C(N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21)C1(F)CCC1 ZINC000585108272 468972158 /nfs/dbraw/zinc/97/21/58/468972158.db2.gz LTNLOGAZPFXOHH-IXDOHACOSA-N 0 0 348.418 2.496 40 0 EEABRN Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)C1(F)CCC1)C2 ZINC000585110956 468975029 /nfs/dbraw/zinc/97/50/29/468975029.db2.gz HIVWWAFAEKXGAN-AWEZNQCLSA-N 0 0 344.390 2.212 40 0 EEABRN O=C(CN(Cc1ccc(F)cc1)CC(F)(F)F)NC[C@H]1CCCO1 ZINC000585142572 468991964 /nfs/dbraw/zinc/99/19/64/468991964.db2.gz ZCHAXSCAGPOYEX-CQSZACIVSA-N 0 0 348.340 2.485 40 0 EEABRN Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccncc3C)C2)c1 ZINC000585269349 468997286 /nfs/dbraw/zinc/99/72/86/468997286.db2.gz QBRPFRRNUSULBY-FQEVSTJZSA-N 0 0 342.439 2.341 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCN(C(=O)CCCn3ccnc3)C2)c1 ZINC000585271695 468997767 /nfs/dbraw/zinc/99/77/67/468997767.db2.gz IOIPKTLHYHZNPF-IBGZPJMESA-N 0 0 343.427 2.014 40 0 EEABRN CC(=O)N1CCC[C@H](NC(=O)c2ccon2)[C@@H]1Cc1ccccc1 ZINC000585269035 468998060 /nfs/dbraw/zinc/99/80/60/468998060.db2.gz ILEJUDJSDTWFIU-RDJZCZTQSA-N 0 0 327.384 2.027 40 0 EEABRN CO[C@H]1CCCN(C(=O)CCN2CCCC2=O)[C@H]1Cc1ccccc1 ZINC000585272879 468999267 /nfs/dbraw/zinc/99/92/67/468999267.db2.gz SIENAWCNXNVEIC-ROUUACIJSA-N 0 0 344.455 2.248 40 0 EEABRN Cc1ccccc1C[C@]1(CO)CN(Cc2ncccc2F)CCO1 ZINC000585276153 469000734 /nfs/dbraw/zinc/00/07/34/469000734.db2.gz DBYQRBAVGREZQL-LJQANCHMSA-N 0 0 330.403 2.335 40 0 EEABRN CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc3oc(C)cc3c2)[C@@H]1OC ZINC000585287702 469009687 /nfs/dbraw/zinc/00/96/87/469009687.db2.gz BNQUXOLYBPFAQL-OIISXLGYSA-N 0 0 333.384 2.242 40 0 EEABRN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@H]1CO ZINC000187581680 534254789 /nfs/dbraw/zinc/25/47/89/534254789.db2.gz HTOAMUTVGLJDKI-ZDUSSCGKSA-N 0 0 327.222 2.424 40 0 EEABRN CCOC(=O)CCC(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024774 520617297 /nfs/dbraw/zinc/61/72/97/520617297.db2.gz VGEYRSFGRKCGNV-UHFFFAOYSA-N 0 0 340.807 2.448 40 0 EEABRN O=C(NC[C@@]1(O)CCc2ccccc21)c1cncc(Br)c1 ZINC000159084763 534616443 /nfs/dbraw/zinc/61/64/43/534616443.db2.gz YDIMWSRLTWUQMP-INIZCTEOSA-N 0 0 347.212 2.408 40 0 EEABRN COc1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000253425079 524106309 /nfs/dbraw/zinc/10/63/09/524106309.db2.gz AQIIDPNAMKKCPT-UHFFFAOYSA-N 0 0 338.415 2.480 40 0 EEABRN CC(C)(C)OC(=O)N1CCC(O)(Cn2ncc3cc(N)ccc32)CC1 ZINC000257306314 534803455 /nfs/dbraw/zinc/80/34/55/534803455.db2.gz STUHVFHBQRLOIV-UHFFFAOYSA-N 0 0 346.431 2.381 40 0 EEABRN COc1ccc(Cc2cnc([C@H]3CCCN3S(C)(=O)=O)o2)cc1 ZINC000257263672 536534481 /nfs/dbraw/zinc/53/44/81/536534481.db2.gz LQYYTJYLFNEIHV-OAHLLOKOSA-N 0 0 336.413 2.371 40 0 EEABRN CN(C)S(=O)(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000195579972 536091396 /nfs/dbraw/zinc/09/13/96/536091396.db2.gz GHMRKCBAFBYCCH-UHFFFAOYSA-N 0 0 341.658 2.341 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1 ZINC000257260236 536749815 /nfs/dbraw/zinc/74/98/15/536749815.db2.gz LBXIXPLZUAKWTA-GOSISDBHSA-N 0 0 341.411 2.097 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3c(C)noc3C)CCN2C)cc1 ZINC000257217141 536945190 /nfs/dbraw/zinc/94/51/90/536945190.db2.gz CXRGCKUCRHFGTR-MRXNPFEDSA-N 0 0 329.400 2.429 40 0 EEABRN CN(C)S(=O)(=O)Cc1ccc(CNc2ncncc2Cl)cc1 ZINC000895435418 684598345 /nfs/dbraw/zinc/59/83/45/684598345.db2.gz IUKAXLZFOTWGGM-UHFFFAOYSA-N 0 0 340.836 2.134 40 0 EEABRN O=C(c1cc(=O)[nH]cc1Br)N(C[C@@H]1CCOC1)C1CC1 ZINC000930682684 1206575739 /nfs/dbraw/zinc/57/57/39/1206575739.db2.gz VJKFXXIQJVQUOE-VIFPVBQESA-N 0 0 341.205 2.191 40 0 EEABRN CS(=O)(=O)c1ccnc(NC(=O)NCC[C@@H]2CCC(F)(F)C2)c1 ZINC000932167287 1207551374 /nfs/dbraw/zinc/55/13/74/1207551374.db2.gz NWECUVLFNQKWLY-JTQLQIEISA-N 0 0 347.387 2.432 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3COCCC3=O)c3cccc1c32 ZINC001740816830 1406109462 /nfs/dbraw/zinc/10/94/62/1406109462.db2.gz XFLCHAVZLHWJKQ-KUHUBIRLSA-N 0 0 327.380 2.022 40 0 EEABRN Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000050444636 214057298 /nfs/dbraw/zinc/05/72/98/214057298.db2.gz HKYLVTORXNQUKM-MRXNPFEDSA-N 0 0 339.439 2.467 40 0 EEABRN CC[C@]1(C)CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CCO1 ZINC000188195690 529404856 /nfs/dbraw/zinc/40/48/56/529404856.db2.gz FQACJWHWIKHJFE-CXAGYDPISA-N 0 0 335.452 2.447 40 0 EEABRN CC[C@H](NC(=O)Cc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473763 529482957 /nfs/dbraw/zinc/48/29/57/529482957.db2.gz HFIDIVYWVYHBCN-ROUUACIJSA-N 0 0 343.427 2.013 40 0 EEABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000004472165 210194367 /nfs/dbraw/zinc/19/43/67/210194367.db2.gz PUQPWNXALTUKII-PBJWJZLWSA-N 0 0 349.364 2.403 40 0 EEABRN CN(CC(=O)NC1CC1)Cc1cc(Br)cc2c1OCC2 ZINC000153709574 529832186 /nfs/dbraw/zinc/83/21/86/529832186.db2.gz KKMMLKMINVSBQY-UHFFFAOYSA-N 0 0 339.233 2.094 40 0 EEABRN COc1cc2s/c(=N\C(=O)c3cc(C)n(C)n3)n(C)c2cc1OC ZINC000101025470 219114835 /nfs/dbraw/zinc/11/48/35/219114835.db2.gz XCRUIMZJDMPFFS-MSUUIHNZSA-N 0 0 346.412 2.040 40 0 EEABRN CN(Cc1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000408702083 529989779 /nfs/dbraw/zinc/98/97/79/529989779.db2.gz BMSPJEQOYLAURX-UHFFFAOYSA-N 0 0 348.424 2.096 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000004223158 210147004 /nfs/dbraw/zinc/14/70/04/210147004.db2.gz FHOGTDDHTNEESA-GZBFAFLISA-N 0 0 335.835 2.376 40 0 EEABRN COCCNC(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OC)c(C)c2[C@@H]1O ZINC000004222574 210146733 /nfs/dbraw/zinc/14/67/33/210146733.db2.gz IPFVZHGTHBGFIW-WBHUJUFNSA-N 0 0 335.444 2.307 40 0 biogenic,in-vitro EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000004223160 210146395 /nfs/dbraw/zinc/14/63/95/210146395.db2.gz FHOGTDDHTNEESA-KCQAQPDRSA-N 0 0 335.835 2.376 40 0 EEABRN COc1ccc(CN2C(=O)[C@@H](C)NC2=S)cc1Br ZINC000065590517 214970933 /nfs/dbraw/zinc/97/09/33/214970933.db2.gz BWJLUILIKWUCJI-SSDOTTSWSA-N 0 0 329.219 2.063 40 0 EEABRN O=C(N[C@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1)C1CCCC1 ZINC000003841230 210078537 /nfs/dbraw/zinc/07/85/37/210078537.db2.gz MHJVBYAGNKJEKB-HOCLYGCPSA-N 0 0 341.411 2.293 40 0 biogenic,in-vitro EEABRN O=C(NCc1ccccn1)C(=O)Nc1cccc(Br)c1 ZINC000003060572 209958721 /nfs/dbraw/zinc/95/87/21/209958721.db2.gz IDHVZPLUQBHENW-UHFFFAOYSA-N 0 0 334.173 2.099 40 0 EEABRN CCO[C@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000103941860 219331106 /nfs/dbraw/zinc/33/11/06/219331106.db2.gz SUTKLLKZIZVCPL-CQSZACIVSA-N 0 0 343.420 2.174 40 0 EEABRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCC(=O)N1CCOCC1 ZINC000068933469 215346670 /nfs/dbraw/zinc/34/66/70/215346670.db2.gz HBOQRAHHVOMGRP-MRXNPFEDSA-N 0 0 346.471 2.498 40 0 EEABRN O=C(NCc1nnc2n1CCCCC2)c1cnn(-c2ccccc2)c1 ZINC000040475428 213311720 /nfs/dbraw/zinc/31/17/20/213311720.db2.gz GTSJSINPFJZTKX-UHFFFAOYSA-N 0 0 336.399 2.120 40 0 EEABRN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123506 539980719 /nfs/dbraw/zinc/98/07/19/539980719.db2.gz HKVREGVEXMYGOT-HZPDHXFCSA-N 0 0 328.412 2.226 40 0 EEABRN CCN(CC)C(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033728454 212961807 /nfs/dbraw/zinc/96/18/07/212961807.db2.gz OEAPMQLTMWWVDC-UHFFFAOYSA-N 0 0 332.853 2.219 40 0 EEABRN Cc1c2ncn(CC(=O)Nc3cccc(Cl)c3C)c(=O)c2nn1C ZINC000032647311 212821829 /nfs/dbraw/zinc/82/18/29/212821829.db2.gz BMGVHGVNHRPDQQ-UHFFFAOYSA-N 0 0 345.790 2.039 40 0 EEABRN CCc1ccccc1CNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000193898459 240351349 /nfs/dbraw/zinc/35/13/49/240351349.db2.gz IEGRPXJPYCTJIW-UHFFFAOYSA-N 0 0 338.473 2.358 40 0 EEABRN Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CC1 ZINC000000413012 209576963 /nfs/dbraw/zinc/57/69/63/209576963.db2.gz KTRCYQWYKMJBEU-UHFFFAOYSA-N 0 0 346.412 2.195 40 0 EEABRN CCOc1cc(C(=O)NCc2cnn(C)c2C)nn1-c1ccccc1 ZINC000072264690 216085812 /nfs/dbraw/zinc/08/58/12/216085812.db2.gz ZZXWMPSNMRNCNC-UHFFFAOYSA-N 0 0 339.399 2.243 40 0 EEABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C ZINC000000410552 209573585 /nfs/dbraw/zinc/57/35/85/209573585.db2.gz YCDMMXHEZKICPM-UHFFFAOYSA-N 0 0 348.432 2.081 40 0 EEABRN CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363586 216170565 /nfs/dbraw/zinc/17/05/65/216170565.db2.gz XWJOGOCKLJIAIN-CYBMUJFWSA-N 0 0 326.404 2.435 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000072363570 216170625 /nfs/dbraw/zinc/17/06/25/216170625.db2.gz DKHYIPLICOCAEA-OAHLLOKOSA-N 0 0 346.456 2.434 40 0 EEABRN Cc1cccc(OC[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)c1 ZINC000072368751 216176074 /nfs/dbraw/zinc/17/60/74/216176074.db2.gz VLVDFAQEBMICAZ-AWEZNQCLSA-N 0 0 335.429 2.198 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@@H](Cc2cncc3ccccc32)C1 ZINC000072368764 216176363 /nfs/dbraw/zinc/17/63/63/216176363.db2.gz BEGGUBUMPZBJQR-ZDUSSCGKSA-N 0 0 342.424 2.211 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccc(C)cn2)n1 ZINC000072377799 216179651 /nfs/dbraw/zinc/17/96/51/216179651.db2.gz LMKPNYGQDKYJGF-AWEZNQCLSA-N 0 0 327.388 2.234 40 0 EEABRN CC(C)C(=O)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383700 216184176 /nfs/dbraw/zinc/18/41/76/216184176.db2.gz MKQNAKGVOJMCTI-CQSZACIVSA-N 0 0 340.431 2.447 40 0 EEABRN O=C(N[C@H](n1cccnc1=O)C(Cl)(Cl)Cl)c1ccco1 ZINC000000160717 209459558 /nfs/dbraw/zinc/45/95/58/209459558.db2.gz RDAQINHTPSPHSL-SECBINFHSA-N 0 0 336.562 2.135 40 0 EEABRN CC(=O)N[C@@H](C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21)C(C)C ZINC000072527267 216268887 /nfs/dbraw/zinc/26/88/87/216268887.db2.gz WVVJIGWAEVLXHU-FUHWJXTLSA-N 0 0 340.427 2.174 40 0 EEABRN CCc1cccc2c1N(Cc1nc(CS(C)(=O)=O)no1)CCC2 ZINC000072631510 216285727 /nfs/dbraw/zinc/28/57/27/216285727.db2.gz JKKLMEADNKDUFN-UHFFFAOYSA-N 0 0 335.429 2.129 40 0 EEABRN COc1ccc(N2C[C@H](C(=O)N(C)c3ncccc3F)CC2=O)cc1 ZINC000131807698 223274069 /nfs/dbraw/zinc/27/40/69/223274069.db2.gz GKFAZCZDRBLKGH-GFCCVEGCSA-N 0 0 343.358 2.245 40 0 EEABRN NC(=O)CC[C@@H]1CCCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000073290227 216373944 /nfs/dbraw/zinc/37/39/44/216373944.db2.gz XBYFUBFJWGSDEI-AWEZNQCLSA-N 0 0 341.411 2.388 40 0 EEABRN CCS(=O)(=O)c1ccccc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC000195576074 241023044 /nfs/dbraw/zinc/02/30/44/241023044.db2.gz RQAHUNUFHHVKKS-UHFFFAOYSA-N 0 0 346.452 2.476 40 0 EEABRN CC(C)OCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000216369497 241186263 /nfs/dbraw/zinc/18/62/63/241186263.db2.gz XYQLZYIAZPPKGY-UHFFFAOYSA-N 0 0 348.852 2.256 40 0 EEABRN CCCCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223154292 241606729 /nfs/dbraw/zinc/60/67/29/241606729.db2.gz JLCFGUWMKDEGRG-UHFFFAOYSA-N 0 0 346.880 2.408 40 0 EEABRN COc1ccccc1CN1C(=O)CC[C@H]1C(=O)Nc1nccs1 ZINC000223412669 241646658 /nfs/dbraw/zinc/64/66/58/241646658.db2.gz MJAMJXHAFYHMBM-LBPRGKRZSA-N 0 0 331.397 2.281 40 0 EEABRN CC(C)Oc1ncccc1C(=O)NCc1ncnn1-c1ccccc1 ZINC000225462917 241876481 /nfs/dbraw/zinc/87/64/81/241876481.db2.gz QBOGKSUVMNXNMC-UHFFFAOYSA-N 0 0 337.383 2.380 40 0 EEABRN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000225677486 241982898 /nfs/dbraw/zinc/98/28/98/241982898.db2.gz RYYXTFHHGCICQJ-JTQLQIEISA-N 0 0 326.443 2.021 40 0 EEABRN CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225597996 241944329 /nfs/dbraw/zinc/94/43/29/241944329.db2.gz SZBBEWCXXUQQNE-QGZVFWFLSA-N 0 0 332.444 2.357 40 0 EEABRN Cn1cc(N2CCC[C@H](SCCC(=O)OC(C)(C)C)C2=O)cn1 ZINC000225642077 241965936 /nfs/dbraw/zinc/96/59/36/241965936.db2.gz BFGPZMQNPGRZOH-ZDUSSCGKSA-N 0 0 339.461 2.381 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736730 242011621 /nfs/dbraw/zinc/01/16/21/242011621.db2.gz ZVAQZPJAZZPMAT-SNVBAGLBSA-N 0 0 336.335 2.046 40 0 EEABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(N)c1 ZINC000226347703 242100004 /nfs/dbraw/zinc/10/00/04/242100004.db2.gz WZWYWMXHRGKLAA-UHFFFAOYSA-N 0 0 349.412 2.427 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000226851730 242117288 /nfs/dbraw/zinc/11/72/88/242117288.db2.gz ZVMWGSRXKZDMQO-HOCLYGCPSA-N 0 0 329.400 2.243 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096186974 284010111 /nfs/dbraw/zinc/01/01/11/284010111.db2.gz HQCGIEUVBASAFU-KFWWJZLASA-N 0 0 347.440 2.174 40 0 EEABRN CCCCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020483491 212136499 /nfs/dbraw/zinc/13/64/99/212136499.db2.gz ONRXWKSKKAVXKI-UHFFFAOYSA-N 0 0 340.445 2.291 40 0 EEABRN CN(C)c1nccc([C@H]2CCCCN2Cc2cnn3cccnc23)n1 ZINC000257218263 244174689 /nfs/dbraw/zinc/17/46/89/244174689.db2.gz DCLBUHZLDDBKJD-MRXNPFEDSA-N 0 0 337.431 2.313 40 0 EEABRN Cc1cncc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)c1 ZINC000257208808 244142266 /nfs/dbraw/zinc/14/22/66/244142266.db2.gz BNQZKOHTDHFQGA-INIZCTEOSA-N 0 0 326.400 2.065 40 0 EEABRN CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257213438 244160191 /nfs/dbraw/zinc/16/01/91/244160191.db2.gz CHPVYKGKODNHJI-HKUYNNGSSA-N 0 0 332.444 2.364 40 0 EEABRN Cc1cc(-c2cncc(C(=O)[O-])c2)nc(CC2CC[NH+](C)CC2)n1 ZINC000257225184 244198230 /nfs/dbraw/zinc/19/82/30/244198230.db2.gz FFFBXPWJRMYRMA-UHFFFAOYSA-N 0 0 326.400 2.430 40 0 EEABRN Cc1nccc([C@@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 ZINC000257226335 244200963 /nfs/dbraw/zinc/20/09/63/244200963.db2.gz FKGHVJJIIAHXDF-QGZVFWFLSA-N 0 0 339.443 2.018 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2nccc(C)n2)C1 ZINC000257240198 244241433 /nfs/dbraw/zinc/24/14/33/244241433.db2.gz HSMXWBIMSSYZSX-OAHLLOKOSA-N 0 0 331.347 2.146 40 0 EEABRN Cc1ccnn1CCC(=O)N(C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257268460 244365846 /nfs/dbraw/zinc/36/58/46/244365846.db2.gz MLTKKOMIJXSOHK-KRWDZBQOSA-N 0 0 341.459 2.412 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)C1CCCCC1 ZINC000020013312 212093525 /nfs/dbraw/zinc/09/35/25/212093525.db2.gz XUUUFLHYQYAWAN-UHFFFAOYSA-N 0 0 342.436 2.036 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 ZINC000257270473 244376763 /nfs/dbraw/zinc/37/67/63/244376763.db2.gz MUIWNVUXRCELAI-INIZCTEOSA-N 0 0 346.456 2.210 40 0 EEABRN Cc1ccnc([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257271406 244381265 /nfs/dbraw/zinc/38/12/65/244381265.db2.gz MYEFVASKNUDNIA-INIZCTEOSA-N 0 0 329.375 2.457 40 0 EEABRN O=C(Cc1ccsc1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257273498 244385890 /nfs/dbraw/zinc/38/58/90/244385890.db2.gz NGVHODLXLDEYDT-HOTGVXAUSA-N 0 0 332.425 2.117 40 0 EEABRN Cc1nc(C(=O)N2CCC3(C[C@@H](Cc4cncnc4)CO3)CC2)co1 ZINC000257284605 244418917 /nfs/dbraw/zinc/41/89/17/244418917.db2.gz PDKUSIJUJZVYMT-CQSZACIVSA-N 0 0 342.399 2.027 40 0 EEABRN CCOC(=O)c1n[nH]cc1-c1cncn1CCCn1nc(C)cc1C ZINC000019719689 212057073 /nfs/dbraw/zinc/05/70/73/212057073.db2.gz CMHLSEFDWBRPSD-UHFFFAOYSA-N 0 0 342.403 2.354 40 0 EEABRN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000019345540 212019652 /nfs/dbraw/zinc/01/96/52/212019652.db2.gz OCMGQLPUMWHYSZ-KDOFPFPSSA-N 0 0 344.411 2.373 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2cccnc2)C1 ZINC000078057843 217015963 /nfs/dbraw/zinc/01/59/63/217015963.db2.gz NMGHJFYVWQCMEH-OAHLLOKOSA-N 0 0 332.448 2.166 40 0 EEABRN C[C@@H](C(=O)N1CCCC1)N1CCN(CCSc2ccccc2)CC1 ZINC000078440866 217052371 /nfs/dbraw/zinc/05/23/71/217052371.db2.gz OWHQLAMKUAQGFP-KRWDZBQOSA-N 0 0 347.528 2.407 40 0 EEABRN CN1CC(=O)N(CCCC(=O)O[C@@H]2CCSc3ccccc32)C1=O ZINC000078442690 217053189 /nfs/dbraw/zinc/05/31/89/217053189.db2.gz FRKQIWKSBQJOPW-CYBMUJFWSA-N 0 0 348.424 2.441 40 0 EEABRN COCCN1C[C@@H](C(=O)O[C@H]2CSCc3ccccc32)CC1=O ZINC000078442709 217053220 /nfs/dbraw/zinc/05/32/20/217053220.db2.gz UGNDKJZGGYGOKJ-ZFWWWQNUSA-N 0 0 335.425 2.013 40 0 EEABRN NC(=O)N1CCC[C@H](C(=O)OCc2nc(Cl)ccc2Cl)C1 ZINC000078446112 217053887 /nfs/dbraw/zinc/05/38/87/217053887.db2.gz GQIIEPDKNJPJEG-QMMMGPOBSA-N 0 0 332.187 2.222 40 0 EEABRN NC(=O)C1(CNc2nc(C(F)F)nc3ccccc32)CCOCC1 ZINC000078724416 217108707 /nfs/dbraw/zinc/10/87/07/217108707.db2.gz BOFMTPPIBSRARK-UHFFFAOYSA-N 0 0 336.342 2.261 40 0 EEABRN COc1ccc(Cc2noc(C3CCN(C(C)=O)CC3)n2)cc1OC ZINC000078774598 217118860 /nfs/dbraw/zinc/11/88/60/217118860.db2.gz REBBMGMONMEETM-UHFFFAOYSA-N 0 0 345.399 2.404 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccccc2F)C1 ZINC000078879540 217137730 /nfs/dbraw/zinc/13/77/30/217137730.db2.gz LOHFGQKJMRJJFJ-LBPRGKRZSA-N 0 0 338.379 2.330 40 0 EEABRN Cc1noc([C@H](C)OC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1 ZINC000078985916 217165530 /nfs/dbraw/zinc/16/55/30/217165530.db2.gz LTCYYMIYNOCFPD-NSHDSACASA-N 0 0 329.360 2.437 40 0 EEABRN CCS[C@@H]1CCCCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC000078987304 217166397 /nfs/dbraw/zinc/16/63/97/217166397.db2.gz PIKGATZYZGSJEG-CYBMUJFWSA-N 0 0 336.457 2.299 40 0 EEABRN Cn1nc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)ccc1=O ZINC000078996923 217170296 /nfs/dbraw/zinc/17/02/96/217170296.db2.gz YMMBBYDNNHZCNB-OAHLLOKOSA-N 0 0 347.390 2.143 40 0 EEABRN C[C@H]1CCCC[C@@H]1OCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000079039174 217179442 /nfs/dbraw/zinc/17/94/42/217179442.db2.gz FCWTWXMIVJMHHN-HOCLYGCPSA-N 0 0 332.448 2.157 40 0 EEABRN O=S(=O)(NC1CCC(O)CC1)c1ccc(Br)cc1 ZINC000016429115 211903859 /nfs/dbraw/zinc/90/38/59/211903859.db2.gz DSHMLLSCMOHGDB-UHFFFAOYSA-N 0 0 334.235 2.031 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000079049534 217182348 /nfs/dbraw/zinc/18/23/48/217182348.db2.gz HVSARIOQVIDEGC-DOMZBBRYSA-N 0 0 329.404 2.078 40 0 EEABRN COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(C)C)cc1 ZINC000079333672 217210216 /nfs/dbraw/zinc/21/02/16/217210216.db2.gz IRIXNYQSOOPVMH-INIZCTEOSA-N 0 0 339.457 2.367 40 0 EEABRN CC(C)c1cc(CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)on1 ZINC000079349387 217212690 /nfs/dbraw/zinc/21/26/90/217212690.db2.gz ZOBNSGKHMUHPBN-ZDUSSCGKSA-N 0 0 342.399 2.403 40 0 EEABRN Cc1ccc([C@@H]2CSCCN2C(=O)c2nc3nccc(C)n3n2)o1 ZINC000081345870 217386008 /nfs/dbraw/zinc/38/60/08/217386008.db2.gz YEICRGPYXFDOEY-LBPRGKRZSA-N 0 0 343.412 2.264 40 0 EEABRN Cc1noc2ncc(NC(=O)C3CCN(c4cnccn4)CC3)cc12 ZINC000266064210 248073051 /nfs/dbraw/zinc/07/30/51/248073051.db2.gz VTWLESSMGYVGMQ-UHFFFAOYSA-N 0 0 338.371 2.176 40 0 EEABRN C[C@@H](NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O)c1ccc2c(c1)CCC2 ZINC000012194877 211317714 /nfs/dbraw/zinc/31/77/14/211317714.db2.gz VQOKUZCUXWGSLG-VXGBXAGGSA-N 0 0 343.427 2.071 40 0 EEABRN Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114217 211292681 /nfs/dbraw/zinc/29/26/81/211292681.db2.gz DSJILTGRACQXHB-LLVKDONJSA-N 0 0 344.440 2.278 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC000012114342 211293324 /nfs/dbraw/zinc/29/33/24/211293324.db2.gz FXBBDGPFOVNFPQ-MVVMVCHASA-N 0 0 329.375 2.214 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c(Cl)c1 ZINC000009225502 211055539 /nfs/dbraw/zinc/05/55/39/211055539.db2.gz PEZDVAWZIJYNCI-SOUVJXGZSA-N 0 0 335.835 2.376 40 0 EEABRN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095398313 218330838 /nfs/dbraw/zinc/33/08/38/218330838.db2.gz HBUGEMSPSCCTSH-MEDUHNTESA-N 0 0 335.367 2.048 40 0 EEABRN C[C@H](CC[C@H]1CCCO1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000095401848 218336576 /nfs/dbraw/zinc/33/65/76/218336576.db2.gz POXFKHBVYDRCRA-MWLCHTKSSA-N 0 0 343.221 2.215 40 0 EEABRN C[C@H](SCCNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 ZINC000095403750 218338723 /nfs/dbraw/zinc/33/87/23/218338723.db2.gz MAHWUTUNNAKHFV-NSHDSACASA-N 0 0 343.449 2.332 40 0 EEABRN CC(C)c1cnc(CS(=O)(=O)c2nnc(N(C)C)n2C(C)C)o1 ZINC000095414509 218352677 /nfs/dbraw/zinc/35/26/77/218352677.db2.gz ZYYFKNXDFFVNNT-UHFFFAOYSA-N 0 0 341.437 2.010 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N(Cc2ccsc2)C2CC2)co1 ZINC000095439379 218382686 /nfs/dbraw/zinc/38/26/86/218382686.db2.gz BWVOPXCCEBYZDJ-UHFFFAOYSA-N 0 0 340.426 2.054 40 0 EEABRN Cc1c(C(=O)N2CCN(CC(=O)C3CC3)CC2)cnn1C1CCCC1 ZINC000095450413 218394426 /nfs/dbraw/zinc/39/44/26/218394426.db2.gz OKMMEEPMUJIFJE-UHFFFAOYSA-N 0 0 344.459 2.044 40 0 EEABRN O=C(NCc1cc(F)cc(Br)c1)C1(O)CCSCC1 ZINC000095450248 218394550 /nfs/dbraw/zinc/39/45/50/218394550.db2.gz IGQNQSRUXXBBJI-UHFFFAOYSA-N 0 0 348.237 2.463 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096039102 218521123 /nfs/dbraw/zinc/52/11/23/218521123.db2.gz UFLARVHVCZDRTF-CVEARBPZSA-N 0 0 343.420 2.032 40 0 EEABRN CC(C)O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc21 ZINC000096041915 218525833 /nfs/dbraw/zinc/52/58/33/218525833.db2.gz YSZYMTKMDAAWNT-LZLYRXPVSA-N 0 0 343.427 2.370 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096105788 218598172 /nfs/dbraw/zinc/59/81/72/218598172.db2.gz IXKWSSVFFUWOAD-ZDUSSCGKSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1ccc(N2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)nn1 ZINC000096109219 218604093 /nfs/dbraw/zinc/60/40/93/218604093.db2.gz QCQLMUDLZGUUGL-APWZRJJASA-N 0 0 344.459 2.031 40 0 EEABRN CN(C)C(=O)[C@H]1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 ZINC000096260876 218730221 /nfs/dbraw/zinc/73/02/21/218730221.db2.gz ABCANXSUILZPFX-OAHLLOKOSA-N 0 0 349.406 2.459 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1 ZINC000096403509 218751575 /nfs/dbraw/zinc/75/15/75/218751575.db2.gz GUMOIONLNNMGFP-CYBMUJFWSA-N 0 0 334.464 2.091 40 0 EEABRN CC(C)(C)[S@@](=O)CCNC(=O)NCc1cccc(-n2cccn2)c1 ZINC000096409646 218762414 /nfs/dbraw/zinc/76/24/14/218762414.db2.gz OYRLRDKQFSLOQJ-XMMPIXPASA-N 0 0 348.472 2.219 40 0 EEABRN CC(=O)c1cnc(NC(=O)c2cnn(-c3ccccn3)c2C)s1 ZINC000096411619 218766741 /nfs/dbraw/zinc/76/67/41/218766741.db2.gz SVPAVYPSLOKAFT-UHFFFAOYSA-N 0 0 327.369 2.487 40 0 EEABRN Cc1nnc(CNC(=O)[C@H](C)c2ccc(Br)s2)n1C ZINC000096430923 218805569 /nfs/dbraw/zinc/80/55/69/218805569.db2.gz QMSBLQDUSKJLQS-SSDOTTSWSA-N 0 0 343.250 2.367 40 0 EEABRN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000096432699 218808396 /nfs/dbraw/zinc/80/83/96/218808396.db2.gz CVDSLDSULGOSKU-HWPZZCPQSA-N 0 0 343.395 2.357 40 0 EEABRN O=C(NC[C@@H](O)c1cccs1)Nc1ccn(Cc2ccccn2)n1 ZINC000096435049 218813041 /nfs/dbraw/zinc/81/30/41/218813041.db2.gz OZOXWOVAZMMEGI-CYBMUJFWSA-N 0 0 343.412 2.243 40 0 EEABRN CC(C)(CCS(C)(=O)=O)CNC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000096440710 218821747 /nfs/dbraw/zinc/82/17/47/218821747.db2.gz DGKBQSKQJQQNRT-KGLIPLIRSA-N 0 0 330.494 2.421 40 0 EEABRN CSCC[C@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000096455092 218839128 /nfs/dbraw/zinc/83/91/28/218839128.db2.gz AOPWLBJDTWOZME-WDEREUQCSA-N 0 0 327.416 2.406 40 0 EEABRN Cc1c(CCNC(=O)NCCOc2cccc(Cl)c2)cnn1C ZINC000096476146 218852822 /nfs/dbraw/zinc/85/28/22/218852822.db2.gz SRPSYWFEDVQGHO-UHFFFAOYSA-N 0 0 336.823 2.303 40 0 EEABRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nnc(C3CCC3)o2)C1=O ZINC000096480893 218857015 /nfs/dbraw/zinc/85/70/15/218857015.db2.gz LGGKNVGQABWUPE-KRWDZBQOSA-N 0 0 344.346 2.443 40 0 EEABRN COc1ccc(C(=O)[C@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096518178 218881789 /nfs/dbraw/zinc/88/17/89/218881789.db2.gz DSXKUIBONOXBSI-SNVBAGLBSA-N 0 0 341.610 2.210 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000096501335 218877590 /nfs/dbraw/zinc/87/75/90/218877590.db2.gz KCDAOJMAFGLEFI-UHFFFAOYSA-N 0 0 337.383 2.406 40 0 EEABRN C[S@@](=O)c1nncn1CCCc1ccccc1Br ZINC000096501848 218877875 /nfs/dbraw/zinc/87/78/75/218877875.db2.gz UONLHVUZNQSHHI-SFHVURJKSA-N 0 0 328.235 2.411 40 0 EEABRN CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](O)C1 ZINC000096501794 218878309 /nfs/dbraw/zinc/87/83/09/218878309.db2.gz RXVDENCWLKDGNF-JTQLQIEISA-N 0 0 329.194 2.446 40 0 EEABRN CC(=O)c1nnn(-c2ccc(F)cc2)c1NCCCn1ccnc1 ZINC000004943224 210334253 /nfs/dbraw/zinc/33/42/53/210334253.db2.gz IJHUNXGDBIOSKH-UHFFFAOYSA-N 0 0 328.351 2.308 40 0 EEABRN CC(C)(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000004909675 210319251 /nfs/dbraw/zinc/31/92/51/210319251.db2.gz HYLGTMHRBXFMKY-UHFFFAOYSA-N 0 0 335.423 2.391 40 0 EEABRN CC(C)S(=O)(=O)CCCN1CCOC[C@H]1Cc1ccccc1 ZINC000097227784 218999078 /nfs/dbraw/zinc/99/90/78/218999078.db2.gz RBASVZILWAZLQK-QGZVFWFLSA-N 0 0 325.474 2.143 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000097233722 219001178 /nfs/dbraw/zinc/00/11/78/219001178.db2.gz QPAYBZMTBVHWRM-HNNXBMFYSA-N 0 0 328.416 2.483 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccc(C)cc1 ZINC000257311904 285156269 /nfs/dbraw/zinc/15/62/69/285156269.db2.gz ULNMMLZQDOIOPC-MJGOQNOKSA-N 0 0 343.471 2.069 40 0 EEABRN COC[C@H](C)n1c(C)cc(C(=O)CN2C[C@H](C(N)=O)CC[C@H]2C)c1C ZINC000245305010 258000385 /nfs/dbraw/zinc/00/03/85/258000385.db2.gz HMSKDLNALLBQSN-IVMMDQJWSA-N 0 0 349.475 2.081 40 0 EEABRN CC(C)[C@@H](C(=O)N(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000330032284 258002623 /nfs/dbraw/zinc/00/26/23/258002623.db2.gz LFQZWAMDNCBDRL-LBPRGKRZSA-N 0 0 348.262 2.336 40 0 EEABRN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](C)CO ZINC000191446888 533493024 /nfs/dbraw/zinc/49/30/24/533493024.db2.gz VFPJWQKCNLAPBN-IUCAKERBSA-N 0 0 331.210 2.199 40 0 EEABRN C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000174338401 159802344 /nfs/dbraw/zinc/80/23/44/159802344.db2.gz HFAPLVLRQVLHAO-KGLIPLIRSA-N 0 0 338.411 2.340 40 0 EEABRN O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1noc2c1CCCC2 ZINC000123197996 222232354 /nfs/dbraw/zinc/23/23/54/222232354.db2.gz IMWNBTJOAJHBAG-AWEZNQCLSA-N 0 0 325.368 2.217 40 0 EEABRN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)O1 ZINC000225422410 262490290 /nfs/dbraw/zinc/49/02/90/262490290.db2.gz NMTAUGKBRACVCE-FGTMMUONSA-N 0 0 344.455 2.423 40 0 EEABRN Nc1cnc(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000257323897 274965554 /nfs/dbraw/zinc/96/55/54/274965554.db2.gz WMHVRXORLHIPLL-CQSZACIVSA-N 0 0 346.456 2.092 40 0 EEABRN CCOc1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)ncn1 ZINC000245180759 276368546 /nfs/dbraw/zinc/36/85/46/276368546.db2.gz ZJPJWBABDQZBFV-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN COCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(Cl)cc3)ccnc21 ZINC000010339046 277210148 /nfs/dbraw/zinc/21/01/48/277210148.db2.gz BBGFUAUWXKJJFK-UHFFFAOYSA-N 0 0 345.786 2.442 40 0 EEABRN CC(C)(C)C(=O)C(Br)(Br)S(C)(=O)=O ZINC000096518477 278283805 /nfs/dbraw/zinc/28/38/05/278283805.db2.gz YKOYNULKGCGKQP-UHFFFAOYSA-N 0 0 336.045 2.090 40 0 EEABRN CCO[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000193629329 279900828 /nfs/dbraw/zinc/90/08/28/279900828.db2.gz SODHCZQZZCFIBM-HUUCEWRRSA-N 0 0 329.404 2.190 40 0 EEABRN CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 ZINC000032639786 280035107 /nfs/dbraw/zinc/03/51/07/280035107.db2.gz CXVNGACCSAISMB-NEPJUHHUSA-N 0 0 330.862 2.435 40 0 EEABRN O=C1[C@H](N2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486790 280322750 /nfs/dbraw/zinc/32/27/50/280322750.db2.gz YOTRNCZPZAUPTJ-CQSZACIVSA-N 0 0 340.782 2.033 40 0 EEABRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072633290 290197883 /nfs/dbraw/zinc/19/78/83/290197883.db2.gz TWLMMNWGNMIUPX-GHMZBOCLSA-N 0 0 341.408 2.129 40 0 EEABRN CCn1nncc1C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000293736471 293282502 /nfs/dbraw/zinc/28/25/02/293282502.db2.gz OURLDPYWMIKEDU-AWEZNQCLSA-N 0 0 331.395 2.144 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)s1 ZINC000134677802 301391182 /nfs/dbraw/zinc/39/11/82/301391182.db2.gz YWLQLGJRDAUZBK-NWDGAFQWSA-N 0 0 333.500 2.260 40 0 EEABRN C[C@H]1CC[C@@H](Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C1 ZINC000188095742 533715730 /nfs/dbraw/zinc/71/57/30/533715730.db2.gz YFGAUQQTAAEJRA-DZGCQCFKSA-N 0 0 338.473 2.433 40 0 EEABRN Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)c1 ZINC000060379313 462544879 /nfs/dbraw/zinc/54/48/79/462544879.db2.gz OJJUXSMOLQIBCR-IBGZPJMESA-N 0 0 337.379 2.348 40 0 EEABRN CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000074054318 462548238 /nfs/dbraw/zinc/54/82/38/462548238.db2.gz ASRBHKGULYIUGD-UHFFFAOYSA-N 0 0 344.436 2.400 40 0 EEABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCC[C@@H]1O ZINC000086334079 462569774 /nfs/dbraw/zinc/56/97/74/462569774.db2.gz NKHCZXJFWARJIX-RNCFNFMXSA-N 0 0 345.226 2.000 40 0 EEABRN CC[C@H](C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)N1CCCC1=O ZINC000074230957 462573649 /nfs/dbraw/zinc/57/36/49/462573649.db2.gz AGNLKFZBBIUMRJ-RHSMWYFYSA-N 0 0 340.427 2.451 40 0 EEABRN C[C@H](OC(=O)c1ccccc1)C(=O)NCCOC(=O)c1ccccc1 ZINC000001666721 462585060 /nfs/dbraw/zinc/58/50/60/462585060.db2.gz GEZZPMXOKXCUQE-AWEZNQCLSA-N 0 0 341.363 2.205 40 0 EEABRN Cc1ccc(N2CC(O)CN(c3ccc(C)cc3)CC(O)C2)cc1 ZINC000001613685 462585451 /nfs/dbraw/zinc/58/54/51/462585451.db2.gz TYURDJITFCCQMA-UHFFFAOYSA-N 0 0 326.440 2.352 40 0 EEABRN C[C@@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)CN1CCOCC1 ZINC000074372506 462592382 /nfs/dbraw/zinc/59/23/82/462592382.db2.gz IRESVKFTRFWBNU-PKOBYXMFSA-N 0 0 345.487 2.229 40 0 EEABRN Cc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000128053380 462605281 /nfs/dbraw/zinc/60/52/81/462605281.db2.gz GTRBIEZECPWYNT-UHFFFAOYSA-N 0 0 332.425 2.395 40 0 EEABRN O=C(CCN1C(=O)CCC1=O)NCCc1cccc(Cl)c1Cl ZINC000046205706 462661553 /nfs/dbraw/zinc/66/15/53/462661553.db2.gz VENUOEZCSQWJMB-UHFFFAOYSA-N 0 0 343.210 2.191 40 0 EEABRN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1COc2ccccc2O1 ZINC000006260996 462680565 /nfs/dbraw/zinc/68/05/65/462680565.db2.gz SMMCJVQNBZTOEM-IZPAUZPXSA-N 0 0 339.347 2.385 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3snnc3c2)C1 ZINC000006274481 462680721 /nfs/dbraw/zinc/68/07/21/462680721.db2.gz RSNFOYQYCTWZLG-CYBMUJFWSA-N 0 0 346.456 2.412 40 0 EEABRN CSc1nnc(C)n1NC(=O)c1cccc(Br)c1 ZINC000006452410 462687206 /nfs/dbraw/zinc/68/72/06/462687206.db2.gz FEWDSWFHNNRTSJ-UHFFFAOYSA-N 0 0 327.207 2.455 40 0 EEABRN O=C(Nc1ccc(Br)cc1F)[C@H]1CSCCC(=O)N1 ZINC000075171246 462690807 /nfs/dbraw/zinc/69/08/07/462690807.db2.gz KRPDFKFXLOSVSG-SNVBAGLBSA-N 0 0 347.209 2.148 40 0 EEABRN CCCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000006597107 462692308 /nfs/dbraw/zinc/69/23/08/462692308.db2.gz JWTUJFXQRWDBCL-UHFFFAOYSA-N 0 0 332.853 2.412 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NC2CCCCC2)c(C)s1 ZINC000006680083 462696323 /nfs/dbraw/zinc/69/63/23/462696323.db2.gz DTNXQZOUFQZDQB-UHFFFAOYSA-N 0 0 330.475 2.417 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000006790420 462706090 /nfs/dbraw/zinc/70/60/90/462706090.db2.gz YAQQTGPEIOVQIQ-UHFFFAOYSA-N 0 0 330.837 2.067 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006946920 462713798 /nfs/dbraw/zinc/71/37/98/462713798.db2.gz NAVWIOQEFHZJLD-QWRGUYRKSA-N 0 0 332.853 2.312 40 0 EEABRN O=C(CN(Cc1ccnc(Cl)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076047679 462793854 /nfs/dbraw/zinc/79/38/54/462793854.db2.gz SJQVBPORPAHDPM-HNNXBMFYSA-N 0 0 337.851 2.338 40 0 EEABRN CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326384 462817407 /nfs/dbraw/zinc/81/74/07/462817407.db2.gz DZPNEHIQEKKVJH-ZDUSSCGKSA-N 0 0 344.436 2.495 40 0 EEABRN Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)N1CCCC1 ZINC000091690431 462899311 /nfs/dbraw/zinc/89/93/11/462899311.db2.gz VVCMZPNKLAUDCK-AWEZNQCLSA-N 0 0 332.404 2.199 40 0 EEABRN COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)c(OC)c1 ZINC000013718419 462902551 /nfs/dbraw/zinc/90/25/51/462902551.db2.gz ZDTCYZIXGXRFNW-VZAMPYOESA-N 0 0 325.364 2.405 40 0 EEABRN O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)Nn1cnnc1 ZINC000014406008 462927889 /nfs/dbraw/zinc/92/78/89/462927889.db2.gz ZUXKTALIHVMEBO-BQYQJAHWSA-N 0 0 339.380 2.375 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCC(C)C)c(C)c1 ZINC000016267428 462972904 /nfs/dbraw/zinc/97/29/04/462972904.db2.gz IPDXVDSNNNQIGE-UHFFFAOYSA-N 0 0 326.462 2.005 40 0 EEABRN Cc1noc([C@H](C)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)n1 ZINC000077411161 462982435 /nfs/dbraw/zinc/98/24/35/462982435.db2.gz DNBWYPNNLQDHMN-NSHDSACASA-N 0 0 336.417 2.399 40 0 EEABRN Cc1cccc(NC(=O)CN2CCN(Cc3ccccn3)CC2)c1C ZINC000019235647 463015608 /nfs/dbraw/zinc/01/56/08/463015608.db2.gz RQJQDUYBRCEGIN-UHFFFAOYSA-N 0 0 338.455 2.455 40 0 EEABRN Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCOCC2)n1 ZINC000019960297 463023843 /nfs/dbraw/zinc/02/38/43/463023843.db2.gz YXDGUABRMYYPDB-UHFFFAOYSA-N 0 0 340.431 2.069 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000134359873 463029692 /nfs/dbraw/zinc/02/96/92/463029692.db2.gz UMVUGJMZTLBGHQ-NVXWUHKLSA-N 0 0 345.443 2.213 40 0 EEABRN Cc1cncc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096042280 463147692 /nfs/dbraw/zinc/14/76/92/463147692.db2.gz JSSHMMDJCLGSEM-XYJFISCASA-N 0 0 339.395 2.236 40 0 EEABRN CCn1ncc2c1CN(S(=O)(=O)c1ccccc1C)C[C@H]2COC ZINC000096044586 463149136 /nfs/dbraw/zinc/14/91/36/463149136.db2.gz AOPDJEJMDIDISY-AWEZNQCLSA-N 0 0 349.456 2.146 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096048673 463153447 /nfs/dbraw/zinc/15/34/47/463153447.db2.gz HNZDZLCRRDPFGE-LJQANCHMSA-N 0 0 339.395 2.330 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096057989 463160239 /nfs/dbraw/zinc/16/02/39/463160239.db2.gz CTUANQFUDYVMFA-CGTJXYLNSA-N 0 0 341.411 2.009 40 0 EEABRN O=c1ccc2c(n1Cc1cccnc1)CC[C@@H](Nc1ncccn1)C2 ZINC000096067702 463164741 /nfs/dbraw/zinc/16/47/41/463164741.db2.gz YLMAADOTSFWBFR-MRXNPFEDSA-N 0 0 333.395 2.051 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cs1 ZINC000096072769 463167706 /nfs/dbraw/zinc/16/77/06/463167706.db2.gz WKEZOGKALAKHEZ-WMLDXEAASA-N 0 0 345.472 2.395 40 0 EEABRN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NC(C)C ZINC000096113135 463179611 /nfs/dbraw/zinc/17/96/11/463179611.db2.gz GGQYUNMZVMKXLJ-LSDHHAIUSA-N 0 0 337.851 2.116 40 0 biogenic,in-vitro EEABRN Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)C2=CCCCC2)C3)n1 ZINC000096111022 463180404 /nfs/dbraw/zinc/18/04/04/463180404.db2.gz AMCVIOFOXFHFRY-APWZRJJASA-N 0 0 343.427 2.139 40 0 EEABRN COc1c(Br)c(C(=O)N2C[C@H](C)C[C@H](C)C2)nn1C ZINC000096181040 463193111 /nfs/dbraw/zinc/19/31/11/463193111.db2.gz MABREHPODAWHGP-DTORHVGOSA-N 0 0 330.226 2.309 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccc[nH]2)cs1 ZINC000096186375 463196998 /nfs/dbraw/zinc/19/69/98/463196998.db2.gz WJNOXNSPVZRHDW-HUUCEWRRSA-N 0 0 344.440 2.185 40 0 EEABRN O=C(CC1CC1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 ZINC000096207859 463210590 /nfs/dbraw/zinc/21/05/90/463210590.db2.gz MDCTYZXJYKRGAH-MRXNPFEDSA-N 0 0 345.443 2.301 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 ZINC000096215091 463214161 /nfs/dbraw/zinc/21/41/61/463214161.db2.gz DBVKRTZQZIBXBJ-AEFFLSMTSA-N 0 0 344.390 2.355 40 0 EEABRN COCCNc1ccnc([C@H]2COCCN2C(=O)CC2CCCC2)n1 ZINC000096219506 463216117 /nfs/dbraw/zinc/21/61/17/463216117.db2.gz YKSVPCPBQCDTOG-OAHLLOKOSA-N 0 0 348.447 2.015 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC000096226955 463220378 /nfs/dbraw/zinc/22/03/78/463220378.db2.gz DAJDEGLJNCORHD-WIYYLYMNSA-N 0 0 349.434 2.179 40 0 EEABRN O=C(NCc1ccco1)[C@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227197 463222563 /nfs/dbraw/zinc/22/25/63/463222563.db2.gz UTTRSFZPCMFCHB-QAPCUYQASA-N 0 0 331.416 2.260 40 0 EEABRN CC(C)NC(=O)N1CC[C@@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000096241240 463225840 /nfs/dbraw/zinc/22/58/40/463225840.db2.gz PYNUEJNMZOBHFG-RHSMWYFYSA-N 0 0 337.395 2.274 40 0 EEABRN O=C(NCc1ccnc(N2CCCCCC2)c1)NCC1(O)CCC1 ZINC000096416076 463248095 /nfs/dbraw/zinc/24/80/95/463248095.db2.gz RRGPHCSHUPOFEP-UHFFFAOYSA-N 0 0 332.448 2.176 40 0 EEABRN O=C(NC[C@@H](O)c1cccc(F)c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000096415612 463248473 /nfs/dbraw/zinc/24/84/73/463248473.db2.gz STFNAGOEPXKXBR-MRXNPFEDSA-N 0 0 344.321 2.009 40 0 EEABRN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)Cc1cccs1 ZINC000096422352 463253225 /nfs/dbraw/zinc/25/32/25/463253225.db2.gz DDJVWRIPECXVOS-AAEUAGOBSA-N 0 0 326.487 2.307 40 0 EEABRN O=S(=O)(Nc1ccc(-c2nnc3n2CCCC3)cc1)N1CCCC1 ZINC000096426105 463256141 /nfs/dbraw/zinc/25/61/41/463256141.db2.gz VIPSGADIKKJVSP-UHFFFAOYSA-N 0 0 347.444 2.034 40 0 EEABRN COC(CN1CCO[C@H](c2cccc(Br)c2)C1)OC ZINC000136752457 463257389 /nfs/dbraw/zinc/25/73/89/463257389.db2.gz SUUMPJASDHKLEZ-ZDUSSCGKSA-N 0 0 330.222 2.441 40 0 EEABRN CCN(Cc1ccoc1)S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000096427885 463257891 /nfs/dbraw/zinc/25/78/91/463257891.db2.gz OLQAYPCULCKXCR-UHFFFAOYSA-N 0 0 336.413 2.473 40 0 EEABRN C[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)N(C)C ZINC000096431051 463259810 /nfs/dbraw/zinc/25/98/10/463259810.db2.gz YJOBQIYXJCIXSG-VIFPVBQESA-N 0 0 341.333 2.404 40 0 EEABRN CC[C@@H](NC(=O)Nc1ccn(CCOC)n1)c1c(C)nn(C)c1C ZINC000096434484 463262022 /nfs/dbraw/zinc/26/20/22/463262022.db2.gz YMDWNOJZNNOXAS-CYBMUJFWSA-N 0 0 334.424 2.153 40 0 EEABRN CNC(=O)c1cccc(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000096433880 463262490 /nfs/dbraw/zinc/26/24/90/463262490.db2.gz LENDTZBNBPXVDQ-LLVKDONJSA-N 0 0 343.431 2.149 40 0 EEABRN Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 ZINC000096436312 463263856 /nfs/dbraw/zinc/26/38/56/463263856.db2.gz VNNCZOQZSGISCO-OAHLLOKOSA-N 0 0 340.427 2.298 40 0 EEABRN O=C(NCCNC(=O)c1ccccc1)N[C@@H](c1nccs1)C1CC1 ZINC000096437684 463266242 /nfs/dbraw/zinc/26/62/42/463266242.db2.gz RFADIAOGDQFLJI-CQSZACIVSA-N 0 0 344.440 2.323 40 0 EEABRN CCn1nc(C)cc1C(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000096442628 463268443 /nfs/dbraw/zinc/26/84/43/463268443.db2.gz ZKBPNAQOSRXSDP-MRXNPFEDSA-N 0 0 341.411 2.417 40 0 EEABRN Cc1ccsc1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000096447572 463270656 /nfs/dbraw/zinc/27/06/56/463270656.db2.gz XZQQEIKBWNLPRW-UHFFFAOYSA-N 0 0 336.457 2.158 40 0 EEABRN Cn1cc(Br)cc1C(=O)NC[C@](C)(O)c1cccs1 ZINC000096450339 463272250 /nfs/dbraw/zinc/27/22/50/463272250.db2.gz ZAIQPKSEHIYBRY-ZDUSSCGKSA-N 0 0 343.246 2.487 40 0 EEABRN CCCc1nc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)no1 ZINC000096455512 463275447 /nfs/dbraw/zinc/27/54/47/463275447.db2.gz ALJSAIMDTXZQRN-LBPRGKRZSA-N 0 0 331.347 2.279 40 0 EEABRN CCn1cnnc1CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000096476318 463279774 /nfs/dbraw/zinc/27/97/74/463279774.db2.gz OINBKTQNBHVDGA-GFCCVEGCSA-N 0 0 341.337 2.271 40 0 EEABRN CNC(=O)Cc1ccc(NC(=O)NCc2nc(C)sc2C)cc1 ZINC000096485470 463283571 /nfs/dbraw/zinc/28/35/71/463283571.db2.gz JELQSUFXJLRALP-UHFFFAOYSA-N 0 0 332.429 2.370 40 0 EEABRN Cc1cc([C@H]2CN(CC(=O)NCc3ccco3)CCO2)ccc1F ZINC000096486873 463284982 /nfs/dbraw/zinc/28/49/82/463284982.db2.gz MOJOIJGRXSCLAP-QGZVFWFLSA-N 0 0 332.375 2.417 40 0 EEABRN C[C@@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489092 463285254 /nfs/dbraw/zinc/28/52/54/463285254.db2.gz DBTOSCYNIITNAU-PBHICJAKSA-N 0 0 337.427 2.213 40 0 EEABRN CCOC(=O)N1CCC(N[C@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000096494292 463287732 /nfs/dbraw/zinc/28/77/32/463287732.db2.gz YHGWSKNPCPHZJQ-INIZCTEOSA-N 0 0 343.431 2.413 40 0 EEABRN C[C@H](NC(=O)c1ccco1)C(=O)Nc1csc(N2CCCCC2)n1 ZINC000096496588 463289194 /nfs/dbraw/zinc/28/91/94/463289194.db2.gz HCFPFGVUHKTMHQ-NSHDSACASA-N 0 0 348.428 2.483 40 0 EEABRN C[C@H](c1cnn(C)c1)N(C)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000096495725 463289373 /nfs/dbraw/zinc/28/93/73/463289373.db2.gz LSAPKHZZJHRXSA-GFCCVEGCSA-N 0 0 339.399 2.164 40 0 EEABRN OCCn1ncc(I)c1-c1ccc(F)cc1 ZINC000096527422 463294009 /nfs/dbraw/zinc/29/40/09/463294009.db2.gz NDAQUPMJUVPQQR-UHFFFAOYSA-N 0 0 332.116 2.286 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccccc1F ZINC000096521395 463294367 /nfs/dbraw/zinc/29/43/67/463294367.db2.gz PDQMPWQQERIYDC-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCOCC1 ZINC000030864615 463314735 /nfs/dbraw/zinc/31/47/35/463314735.db2.gz WAEKMRYWDPVYQQ-QGZVFWFLSA-N 0 0 334.460 2.299 40 0 EEABRN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C1CCC1 ZINC000097096034 463322310 /nfs/dbraw/zinc/32/23/10/463322310.db2.gz SSBXQLMLXNVTTI-SNVBAGLBSA-N 0 0 339.233 2.484 40 0 EEABRN Cc1nnc(CN2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C ZINC000097103514 463325440 /nfs/dbraw/zinc/32/54/40/463325440.db2.gz VVDVLPVNGINWQA-OKILXGFUSA-N 0 0 335.452 2.097 40 0 EEABRN Cc1ccc(C(=O)NCc2nnnn2C2CC2)c(Br)c1 ZINC000097229701 463351436 /nfs/dbraw/zinc/35/14/36/463351436.db2.gz OEOIPOKOIDBLMG-UHFFFAOYSA-N 0 0 336.193 2.009 40 0 EEABRN CCNC(=O)N1CCC(Nc2cccc(CN3CCOCC3)c2)CC1 ZINC000097238236 463352549 /nfs/dbraw/zinc/35/25/49/463352549.db2.gz GHMQUNNUYPJZIA-UHFFFAOYSA-N 0 0 346.475 2.125 40 0 EEABRN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=O)N(N)C2=O ZINC000033919778 463424905 /nfs/dbraw/zinc/42/49/05/463424905.db2.gz HDOMUOSSPZHKBI-CFQOYVHHSA-N 0 0 332.444 2.149 40 0 EEABRN CC[C@H](C)NC(=O)c1nn(C)c(NC(=O)c2ccccc2OC)c1F ZINC000041070615 463466078 /nfs/dbraw/zinc/46/60/78/463466078.db2.gz HIVFYCFXBWBXDN-JTQLQIEISA-N 0 0 348.378 2.348 40 0 EEABRN Cc1cc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)no1 ZINC000057279321 463474382 /nfs/dbraw/zinc/47/43/82/463474382.db2.gz BUBWVMRAPTUXAS-UHFFFAOYSA-N 0 0 331.357 2.283 40 0 EEABRN CCc1ccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000057318893 463477707 /nfs/dbraw/zinc/47/77/07/463477707.db2.gz JAPXEBHBLPKUQW-YOEHRIQHSA-N 0 0 332.444 2.252 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)n1 ZINC000107253942 463563221 /nfs/dbraw/zinc/56/32/21/463563221.db2.gz DYZBLTNGGCCBFO-MUJYYYPQSA-N 0 0 336.395 2.132 40 0 EEABRN CCn1c2ccccc2nc1SCC(=O)Nc1c[nH]ccc1=O ZINC000058310161 463574818 /nfs/dbraw/zinc/57/48/18/463574818.db2.gz COIBEWVYSGMVIC-UHFFFAOYSA-N 0 0 328.397 2.475 40 0 EEABRN O=C(NC(=S)c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000107840873 463584707 /nfs/dbraw/zinc/58/47/07/463584707.db2.gz USIRNEJSAVVFMR-UHFFFAOYSA-N 0 0 326.425 2.289 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108525559 463610229 /nfs/dbraw/zinc/61/02/29/463610229.db2.gz JWSMTZZVRQZMHW-DOTOQJQBSA-N 0 0 348.487 2.300 40 0 EEABRN COCCN1CC[C@@]2(CCCN(C(=O)c3ccccc3C)CC2)C1=O ZINC000108534141 463611511 /nfs/dbraw/zinc/61/15/11/463611511.db2.gz RQULPUBVSJIFJV-FQEVSTJZSA-N 0 0 344.455 2.486 40 0 EEABRN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1 ZINC000109244649 463635816 /nfs/dbraw/zinc/63/58/16/463635816.db2.gz ASVQTUMXTIHGRB-UHFFFAOYSA-N 0 0 344.392 2.296 40 0 EEABRN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)o1 ZINC000044872403 463697698 /nfs/dbraw/zinc/69/76/98/463697698.db2.gz QDIFMJKTOZDEPV-SECBINFHSA-N 0 0 326.399 2.085 40 0 EEABRN CCCn1nc(C(=O)NCCc2cccc3cccnc32)ccc1=O ZINC000044895906 463699479 /nfs/dbraw/zinc/69/94/79/463699479.db2.gz VCJWMNUAOWGZCE-UHFFFAOYSA-N 0 0 336.395 2.174 40 0 EEABRN Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 ZINC000257207375 463756585 /nfs/dbraw/zinc/75/65/85/463756585.db2.gz BHMHTJJMEIMODK-GJZGRUSLSA-N 0 0 334.347 2.167 40 0 EEABRN O=C(COc1ccccc1F)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257278966 463758539 /nfs/dbraw/zinc/75/85/39/463758539.db2.gz OEKPWRHFERPMFP-ZDUSSCGKSA-N 0 0 345.374 2.205 40 0 EEABRN Nc1nccnc1[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000257290823 463764459 /nfs/dbraw/zinc/76/44/59/463764459.db2.gz QELYQYKFBIPTSE-AWEZNQCLSA-N 0 0 346.818 2.245 40 0 EEABRN O=C(c1nccc2ccccc21)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257289525 463764839 /nfs/dbraw/zinc/76/48/39/463764839.db2.gz PYZXVYIKMUGRQN-KRWDZBQOSA-N 0 0 348.406 2.499 40 0 EEABRN O=C(c1ccccc1C(F)(F)F)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257305853 463770118 /nfs/dbraw/zinc/77/01/18/463770118.db2.gz SRVNQARQVGGMIJ-ZFWWWQNUSA-N 0 0 329.318 2.461 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257304216 463770624 /nfs/dbraw/zinc/77/06/24/463770624.db2.gz SKOLUWMBEAIHTP-AWEZNQCLSA-N 0 0 341.371 2.353 40 0 EEABRN O=S(=O)(c1ccccc1)N1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1 ZINC000257308049 463772467 /nfs/dbraw/zinc/77/24/67/463772467.db2.gz TVFFEULHXUTLFP-IIDMSEBBSA-N 0 0 343.452 2.366 40 0 EEABRN COc1ccc([C@H]2CN(Cc3ccnc(C)n3)CCN2C(C)=O)cc1 ZINC000257310361 463772598 /nfs/dbraw/zinc/77/25/98/463772598.db2.gz UETWZOWTTDMEOK-LJQANCHMSA-N 0 0 340.427 2.199 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)n1 ZINC000257319596 463776224 /nfs/dbraw/zinc/77/62/24/463776224.db2.gz VTFAJFLECUHSHB-CQSZACIVSA-N 0 0 340.383 2.153 40 0 EEABRN Cc1ccc(CN2C(=O)C[C@@]23COCCN(C(=O)CC2CC2)C3)cc1 ZINC000257326838 463779645 /nfs/dbraw/zinc/77/96/45/463779645.db2.gz WYUMGYFQEILZFK-HXUWFJFHSA-N 0 0 342.439 2.125 40 0 EEABRN CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ccccc1 ZINC000257333112 463781411 /nfs/dbraw/zinc/78/14/11/463781411.db2.gz YAFBOUYEWCAYBL-KRWDZBQOSA-N 0 0 338.411 2.398 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000257333525 463782391 /nfs/dbraw/zinc/78/23/91/463782391.db2.gz YBXODAIHCFQTSZ-INIZCTEOSA-N 0 0 344.440 2.080 40 0 EEABRN CCn1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c(C)n1 ZINC000257334995 463782597 /nfs/dbraw/zinc/78/25/97/463782597.db2.gz YIFJOFJSFGANKB-IEBWSBKVSA-N 0 0 343.427 2.256 40 0 EEABRN O=C(N1CCC2(CC1)OCCC[C@H]2O)C1(c2ccccc2F)CC1 ZINC000257333306 463783357 /nfs/dbraw/zinc/78/33/57/463783357.db2.gz YBAOYDZYWMEYNF-MRXNPFEDSA-N 0 0 333.403 2.390 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)ccn1 ZINC000257336961 463784302 /nfs/dbraw/zinc/78/43/02/463784302.db2.gz YQUFZAOGSJCYEV-MRXNPFEDSA-N 0 0 336.399 2.232 40 0 EEABRN Cc1oc2c(c1C(=O)N1CCO[C@H](c3nccnc3N)C1)CCCC2 ZINC000257342264 463787870 /nfs/dbraw/zinc/78/78/70/463787870.db2.gz ZNVHKFQQSDBPEM-AWEZNQCLSA-N 0 0 342.399 2.053 40 0 EEABRN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000194282773 463826949 /nfs/dbraw/zinc/82/69/49/463826949.db2.gz WKRXXMJHSDKOPK-IBGZPJMESA-N 0 0 343.427 2.315 40 0 EEABRN CSC1(CNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000194899659 463953193 /nfs/dbraw/zinc/95/31/93/463953193.db2.gz LOHQMIFCTRKQFN-LLVKDONJSA-N 0 0 339.427 2.456 40 0 EEABRN CCn1c(-c2ccccn2)nnc1S(=O)(=O)CCc1cccs1 ZINC000195196010 464015381 /nfs/dbraw/zinc/01/53/81/464015381.db2.gz HCABTBMBNYZLLB-UHFFFAOYSA-N 0 0 348.453 2.438 40 0 EEABRN CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000195578036 464080773 /nfs/dbraw/zinc/08/07/73/464080773.db2.gz ASOOQHDSEUKDIM-NSHDSACASA-N 0 0 343.349 2.477 40 0 EEABRN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000279332533 464087926 /nfs/dbraw/zinc/08/79/26/464087926.db2.gz AWOHRSNXVHWAGR-ACJLOTCBSA-N 0 0 348.830 2.439 40 0 EEABRN COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2cccnc2)C1 ZINC000222284649 464128669 /nfs/dbraw/zinc/12/86/69/464128669.db2.gz KKEFPDHLNKEVGC-GOSISDBHSA-N 0 0 325.368 2.290 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222974093 464135664 /nfs/dbraw/zinc/13/56/64/464135664.db2.gz VIRIJKHERNAUNY-AWEZNQCLSA-N 0 0 341.411 2.144 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223412941 464141875 /nfs/dbraw/zinc/14/18/75/464141875.db2.gz ORCLCAYQXSSFAD-GFCCVEGCSA-N 0 0 346.880 2.406 40 0 EEABRN Cc1cc(CNC(=O)Nc2ccccc2F)nc(N2CCOCC2)n1 ZINC000224229328 464149932 /nfs/dbraw/zinc/14/99/32/464149932.db2.gz IYNJUXZEGJMUPK-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN O=C(NCc1ccnc(N2CCOCC2)n1)c1cccc2ccccc21 ZINC000224216744 464150361 /nfs/dbraw/zinc/15/03/61/464150361.db2.gz LWCYPPRSGJVRSB-UHFFFAOYSA-N 0 0 348.406 2.396 40 0 EEABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O ZINC000225191939 464153995 /nfs/dbraw/zinc/15/39/95/464153995.db2.gz BEGBHDCSIPQCFZ-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2)nn1 ZINC000225428491 464160150 /nfs/dbraw/zinc/16/01/50/464160150.db2.gz ICBPJIXCODYZGL-AWEZNQCLSA-N 0 0 333.338 2.286 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000225581358 464173439 /nfs/dbraw/zinc/17/34/39/464173439.db2.gz KXMNKMJVNPSBJQ-XJKCOSOUSA-N 0 0 338.473 2.096 40 0 EEABRN COc1ccc(C(=O)NCc2cnn3c2CCCC3)c(OC)c1OC ZINC000225611811 464175638 /nfs/dbraw/zinc/17/56/38/464175638.db2.gz DNOOMHKOYNEESE-UHFFFAOYSA-N 0 0 345.399 2.175 40 0 EEABRN O=C(NC[C@@H](O)c1cccc(Br)c1)[C@H]1CCCOC1 ZINC000241338695 464451651 /nfs/dbraw/zinc/45/16/51/464451651.db2.gz MDBKZQDGPYNCFE-WCQYABFASA-N 0 0 328.206 2.025 40 0 EEABRN COC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000242687324 464458459 /nfs/dbraw/zinc/45/84/59/464458459.db2.gz UFGPOZKDTVXAJO-KURKYZTESA-N 0 0 331.437 2.279 40 0 EEABRN Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000244428822 464460475 /nfs/dbraw/zinc/46/04/75/464460475.db2.gz YXWOJSPSKPVHOS-INIZCTEOSA-N 0 0 330.428 2.142 40 0 EEABRN CN(CCOc1ccccc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245287310 464470082 /nfs/dbraw/zinc/47/00/82/464470082.db2.gz BXCXCSWULUJZIV-GDBMZVCRSA-N 0 0 329.437 2.492 40 0 EEABRN COCC[C@H]1CCOC2(CN(C(=O)COc3ccccc3C)C2)C1 ZINC000248002182 464720690 /nfs/dbraw/zinc/72/06/90/464720690.db2.gz DLJRPAGYFPXDBV-INIZCTEOSA-N 0 0 333.428 2.418 40 0 EEABRN Cc1ccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)o1 ZINC000248057948 464727404 /nfs/dbraw/zinc/72/74/04/464727404.db2.gz CKRGTMIHRJJVJU-ROUUACIJSA-N 0 0 331.416 2.235 40 0 EEABRN O=C(NC[C@@H]1CCCO1)[C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1 ZINC000248075729 464727485 /nfs/dbraw/zinc/72/74/85/464727485.db2.gz ZXKGJQMMPDLMLA-XZJWWLTNSA-N 0 0 341.407 2.342 40 0 EEABRN CC[C@@]1(CO)CCCN1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000190830529 464728149 /nfs/dbraw/zinc/72/81/49/464728149.db2.gz JVBIJJHHOJXBFV-IBGZPJMESA-N 0 0 346.475 2.305 40 0 EEABRN COc1ccnc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c1OC ZINC000190911331 464743566 /nfs/dbraw/zinc/74/35/66/464743566.db2.gz CWURYTHJXQSDER-CYBMUJFWSA-N 0 0 343.431 2.405 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000248771402 464799844 /nfs/dbraw/zinc/79/98/44/464799844.db2.gz VOYVCQYYNHJEPD-QWRGUYRKSA-N 0 0 348.262 2.149 40 0 EEABRN CC(C)S(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@H]2C1 ZINC000249700889 464904193 /nfs/dbraw/zinc/90/41/93/464904193.db2.gz YDULGAPHJXTEQU-RRQGHBQHSA-N 0 0 341.448 2.483 40 0 EEABRN CCc1ccccc1N1C(=O)C[C@@H](N2CCCC[C@H]2CCO)C1=O ZINC000250272369 464929242 /nfs/dbraw/zinc/92/92/42/464929242.db2.gz RQJXGTSSYZVUCD-DOTOQJQBSA-N 0 0 330.428 2.118 40 0 EEABRN C[C@H](NC(=O)NC[C@@H]1CCc2ccccc2C1)c1nnnn1C1CC1 ZINC000252509551 464975149 /nfs/dbraw/zinc/97/51/49/464975149.db2.gz YQIXFUXTMUMXTH-QWHCGFSZSA-N 0 0 340.431 2.173 40 0 EEABRN CCCOc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1 ZINC000192680012 464976187 /nfs/dbraw/zinc/97/61/87/464976187.db2.gz GUYXNFDXZUFOQD-UHFFFAOYSA-N 0 0 327.384 2.168 40 0 EEABRN Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1 ZINC000253416618 465004575 /nfs/dbraw/zinc/00/45/75/465004575.db2.gz RURBOKAXJFAGMO-XKQJLSEDSA-N 0 0 335.448 2.024 40 0 EEABRN CC(C)Oc1ccc(NC(=O)c2cc(N(C)C)ccn2)cc1C(N)=O ZINC000253432145 465014370 /nfs/dbraw/zinc/01/43/70/465014370.db2.gz WBXKEHYVRAMMID-UHFFFAOYSA-N 0 0 342.399 2.286 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccccc3OC)C2)c1F ZINC000253473570 465015900 /nfs/dbraw/zinc/01/59/00/465015900.db2.gz WLVCUKBJHZNJBK-GFCCVEGCSA-N 0 0 345.374 2.480 40 0 EEABRN CC(C)Cn1ccnc1CNc1cc(N2CCSCC2)ncn1 ZINC000302886793 466207229 /nfs/dbraw/zinc/20/72/29/466207229.db2.gz LOLIYNJZMPFTNE-UHFFFAOYSA-N 0 0 332.477 2.494 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000306125530 466488713 /nfs/dbraw/zinc/48/87/13/466488713.db2.gz CTHZRXYHQYCXMT-OAHLLOKOSA-N 0 0 340.379 2.097 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554890 466681206 /nfs/dbraw/zinc/68/12/06/466681206.db2.gz VJRINTRCWZKQRJ-CHWSQXEVSA-N 0 0 334.441 2.421 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 ZINC000408574992 466681237 /nfs/dbraw/zinc/68/12/37/466681237.db2.gz VICVRTGFKRDURM-BETUJISGSA-N 0 0 341.411 2.099 40 0 EEABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408597933 466682091 /nfs/dbraw/zinc/68/20/91/466682091.db2.gz WQAVCHLITZYCSB-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN Cn1ccc([C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1 ZINC000390830726 467413535 /nfs/dbraw/zinc/41/35/35/467413535.db2.gz MXKDLLYULUYGIW-AWEZNQCLSA-N 0 0 336.399 2.021 40 0 EEABRN CC(C)(C)OC(=O)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833945 467414343 /nfs/dbraw/zinc/41/43/43/467414343.db2.gz PFZIYKWQPCKKSJ-UKRRQHHQSA-N 0 0 336.407 2.406 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)S(=O)[C@H](C)C3)cc2)n1 ZINC000408341481 467546169 /nfs/dbraw/zinc/54/61/69/467546169.db2.gz RINYMZAQJZDDSO-HUUCEWRRSA-N 0 0 345.468 2.471 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000575403448 468140664 /nfs/dbraw/zinc/14/06/64/468140664.db2.gz KZVJREMRYXSOIP-SSDMNJCBSA-N 0 0 336.432 2.433 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2)C1(F)CCC1 ZINC000575405703 468141482 /nfs/dbraw/zinc/14/14/82/468141482.db2.gz UIRSDHAWMQMYHJ-HNNXBMFYSA-N 0 0 334.391 2.250 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000575404045 468141518 /nfs/dbraw/zinc/14/15/18/468141518.db2.gz LUNSUGXURCYVHY-MRXNPFEDSA-N 0 0 340.379 2.240 40 0 EEABRN O=S1(=O)CC[C@H](CNC(=S)Nc2nc3ccccc3s2)C1 ZINC000575422852 468143821 /nfs/dbraw/zinc/14/38/21/468143821.db2.gz DAAHOYPCEFPUGI-SECBINFHSA-N 0 0 341.483 2.017 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)s1 ZINC000575604653 468145564 /nfs/dbraw/zinc/14/55/64/468145564.db2.gz BVGIOCYQLMWZCF-LBPRGKRZSA-N 0 0 336.392 2.373 40 0 EEABRN COc1nc(CNC(=O)c2cc(C)oc2C)nc(N2CCCCC2)n1 ZINC000575604120 468145814 /nfs/dbraw/zinc/14/58/14/468145814.db2.gz QWRWKDMZLSDXLF-UHFFFAOYSA-N 0 0 345.403 2.010 40 0 EEABRN O=C(c1ccnc(F)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000585108137 468971823 /nfs/dbraw/zinc/97/18/23/468971823.db2.gz YCXFNOGBJQZDCZ-JKSUJKDBSA-N 0 0 326.375 2.105 40 0 EEABRN COC[C@H](C)NC(=O)c1nc2c(o1)CCN(CC1CCCCC1)C2 ZINC000585112662 468974860 /nfs/dbraw/zinc/97/48/60/468974860.db2.gz SQIXPQAQPBEGCC-ZDUSSCGKSA-N 0 0 335.448 2.378 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2ccccn2)C1 ZINC000585275313 468999122 /nfs/dbraw/zinc/99/91/22/468999122.db2.gz AJDKBXIPZDDZLJ-LJQANCHMSA-N 0 0 344.386 2.460 40 0 EEABRN COc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)ccn1 ZINC000585275921 469000447 /nfs/dbraw/zinc/00/04/47/469000447.db2.gz ILNPBIHKDWOPCO-IRXDYDNUSA-N 0 0 344.386 2.438 40 0 EEABRN Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3cccn3C)C2)c1 ZINC000585277098 469001624 /nfs/dbraw/zinc/00/16/24/469001624.db2.gz LGFJHFXNIKYRQR-IBGZPJMESA-N 0 0 328.412 2.380 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)c2cncnc2)C1 ZINC000585277111 469002023 /nfs/dbraw/zinc/00/20/23/469002023.db2.gz LIKASDMUTYMWJC-LJQANCHMSA-N 0 0 341.411 2.485 40 0 EEABRN O=C(CCCn1cccn1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585280048 469006084 /nfs/dbraw/zinc/00/60/84/469006084.db2.gz XAHZBZREKYZVJX-QZTJIDSGSA-N 0 0 327.428 2.115 40 0 EEABRN O=S(=O)(c1ccc2c(c1)N(CC1=CCCOC1)CC2)N1CCCC1 ZINC000191562022 534873188 /nfs/dbraw/zinc/87/31/88/534873188.db2.gz RTXJZMPIZZUKQN-UHFFFAOYSA-N 0 0 348.468 2.180 40 0 EEABRN O=C(NCc1cn2ccccc2n1)c1ncccc1Br ZINC000253429133 526804267 /nfs/dbraw/zinc/80/42/67/526804267.db2.gz OVFMTYKPKDDHKC-UHFFFAOYSA-N 0 0 331.173 2.422 40 0 EEABRN CCCN1CCCN(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1=O ZINC000190229537 528212546 /nfs/dbraw/zinc/21/25/46/528212546.db2.gz CNCWIVFIZSLTRL-AWEZNQCLSA-N 0 0 336.436 2.396 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206489 528385384 /nfs/dbraw/zinc/38/53/84/528385384.db2.gz VBMLVYOEMKJFIT-UHFFFAOYSA-N 0 0 330.409 2.188 40 0 EEABRN CC1(C)CC[C@@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)O1 ZINC000187333439 529020672 /nfs/dbraw/zinc/02/06/72/529020672.db2.gz CJRRCZVAUDQWCY-HNNXBMFYSA-N 0 0 349.450 2.339 40 0 EEABRN COc1ccccc1CC(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257221431 537016650 /nfs/dbraw/zinc/01/66/50/537016650.db2.gz DOZMPVRFKOAILB-GOSISDBHSA-N 0 0 341.411 2.245 40 0 EEABRN CC(C)c1ncc(Br)c(C(=O)N(C)Cc2c[nH]cn2)n1 ZINC000824628438 788248071 /nfs/dbraw/zinc/24/80/71/788248071.db2.gz FLACVEPKVYJUQZ-UHFFFAOYSA-N 0 0 338.209 2.358 40 0 EEABRN O=C(c1ccc(F)c(Cl)c1)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549166258 1121134842 /nfs/dbraw/zinc/13/48/42/1121134842.db2.gz BWMLXOYUYZGMGD-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN O=C(c1ccc(F)cc1Cl)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549167137 1121135511 /nfs/dbraw/zinc/13/55/11/1121135511.db2.gz LZJMLFWMSQCSIG-UHFFFAOYSA-N 0 0 338.766 2.248 40 0 EEABRN CS(=O)(=O)CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000056879609 214392538 /nfs/dbraw/zinc/39/25/38/214392538.db2.gz KRGWUUNOIYOEJR-UHFFFAOYSA-N 0 0 344.392 2.269 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004575182 210225431 /nfs/dbraw/zinc/22/54/31/210225431.db2.gz HBOSBBMQSRTJCP-RISCZKNCSA-N 0 0 344.864 2.408 40 0 EEABRN CN(C)c1cccc(CNC(=O)N2CCN(c3cccs3)CC2)n1 ZINC000164365014 529790390 /nfs/dbraw/zinc/79/03/90/529790390.db2.gz BGDJCQWZFZIOER-UHFFFAOYSA-N 0 0 345.472 2.241 40 0 EEABRN OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000004305810 210165361 /nfs/dbraw/zinc/16/53/61/210165361.db2.gz LIHCUFZIUGBQAA-JKJDWNRSSA-N 0 0 340.416 2.224 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 ZINC000044903411 213668062 /nfs/dbraw/zinc/66/80/62/213668062.db2.gz XKZUBOHROHDBDH-MRXNPFEDSA-N 0 0 334.416 2.453 40 0 EEABRN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2csnn2)NC(=S)N1 ZINC000067029167 215105207 /nfs/dbraw/zinc/10/52/07/215105207.db2.gz JRTUROACGHOOGB-CYBMUJFWSA-N 0 0 346.437 2.074 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000103281447 219281872 /nfs/dbraw/zinc/28/18/72/219281872.db2.gz YGJNJSLVXWZCGJ-UHFFFAOYSA-N 0 0 346.412 2.264 40 0 EEABRN Cc1cc(C)cc(OCC(=O)OCCNC(=O)c2cccnc2)c1 ZINC000002679829 209890360 /nfs/dbraw/zinc/89/03/60/209890360.db2.gz DCWYAHYJGYBJDP-UHFFFAOYSA-N 0 0 328.368 2.050 40 0 EEABRN COCC(=O)Nc1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000068946373 215348272 /nfs/dbraw/zinc/34/82/72/215348272.db2.gz KEWZERGLAPGCQP-QGZVFWFLSA-N 0 0 339.395 2.489 40 0 EEABRN CC(C)NC(=O)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000038511895 213212471 /nfs/dbraw/zinc/21/24/71/213212471.db2.gz JVQPSWDODJXGHA-UHFFFAOYSA-N 0 0 339.442 2.428 40 0 EEABRN O=C(c1ccc(=O)[nH]n1)N1CCC(Cn2cnc3ccccc32)CC1 ZINC000038533606 213213769 /nfs/dbraw/zinc/21/37/69/213213769.db2.gz AKBILOSYQKJQJE-UHFFFAOYSA-N 0 0 337.383 2.084 40 0 EEABRN Cc1cc(N2CC[C@H](NC(=O)C3CC3)C2=O)ccc1Br ZINC000184628741 235449683 /nfs/dbraw/zinc/44/96/83/235449683.db2.gz DRDVLQALHYXKME-ZDUSSCGKSA-N 0 0 337.217 2.389 40 0 EEABRN Cc1nnc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)s1 ZINC000185400845 235658388 /nfs/dbraw/zinc/65/83/88/235658388.db2.gz GIZLYZRHDKADIZ-UHFFFAOYSA-N 0 0 333.413 2.325 40 0 EEABRN Cn1nc(C(=O)N2CCCCCC2)cc1C(=O)N1CCCCCC1 ZINC000036617931 213103997 /nfs/dbraw/zinc/10/39/97/213103997.db2.gz SHWCZMHJKGYGSV-UHFFFAOYSA-N 0 0 332.448 2.453 40 0 EEABRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000187070928 236110039 /nfs/dbraw/zinc/11/00/39/236110039.db2.gz WQEXICNFDAZYTP-ABAIWWIYSA-N 0 0 347.802 2.036 40 0 EEABRN CCCc1nnc(SCC(=O)NC(C)C)n1C[C@H]1CCCO1 ZINC000035313811 213021084 /nfs/dbraw/zinc/02/10/84/213021084.db2.gz HRBLRIPBOWJMTK-GFCCVEGCSA-N 0 0 326.466 2.026 40 0 EEABRN CN(Cc1cccs1)S(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238931 216077680 /nfs/dbraw/zinc/07/76/80/216077680.db2.gz OFDOEDPTFMHJDB-UHFFFAOYSA-N 0 0 334.426 2.150 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000072241915 216080376 /nfs/dbraw/zinc/08/03/76/216080376.db2.gz HUDRWPBJLLXEHG-SJLPKXTDSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccs1 ZINC000072324394 216151413 /nfs/dbraw/zinc/15/14/13/216151413.db2.gz KTTZVVBRVHFNNT-CYBMUJFWSA-N 0 0 345.468 2.321 40 0 EEABRN COCCNc1ncc(-c2cc(C)no2)c(-c2cnc(C)cn2)n1 ZINC000072336777 216158162 /nfs/dbraw/zinc/15/81/62/216158162.db2.gz AVDGROQQFXLTDS-UHFFFAOYSA-N 0 0 326.360 2.264 40 0 EEABRN Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN(CC(N)=O)C2)n1 ZINC000072361829 216169105 /nfs/dbraw/zinc/16/91/05/216169105.db2.gz YTSOZSIVODPGQN-CQSZACIVSA-N 0 0 326.400 2.242 40 0 EEABRN CCOc1ccc(NC(=O)C[C@H]2OC[C@H]3CCCCN3C2=O)cc1 ZINC000000198101 209477834 /nfs/dbraw/zinc/47/78/34/209477834.db2.gz XVIVVWPEWLTKLH-GDBMZVCRSA-N 0 0 332.400 2.194 40 0 EEABRN COc1ccccc1Cc1cccc([C@@H]2CCCN2CC(N)=O)n1 ZINC000072367503 216174934 /nfs/dbraw/zinc/17/49/34/216174934.db2.gz JBEDJQPYJKXBSN-KRWDZBQOSA-N 0 0 325.412 2.303 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccs2)C1 ZINC000072369541 216176092 /nfs/dbraw/zinc/17/60/92/216176092.db2.gz PVHGRKJNHNTCBH-NSHDSACASA-N 0 0 325.459 2.254 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000072375995 216179321 /nfs/dbraw/zinc/17/93/21/216179321.db2.gz LDVXIVJEGQTYLM-GFCCVEGCSA-N 0 0 347.444 2.338 40 0 EEABRN Cc1nccn1-c1cccc(C2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000072379007 216181424 /nfs/dbraw/zinc/18/14/24/216181424.db2.gz XSBIESAFTRKSCB-UHFFFAOYSA-N 0 0 336.399 2.319 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378756 216181656 /nfs/dbraw/zinc/18/16/56/216181656.db2.gz ZABQZAIJUPBWQS-AWEZNQCLSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1cccc(Nc2nccnc2[C@H]2CCCN2CC(=O)N(C)C)n1 ZINC000072384810 216185044 /nfs/dbraw/zinc/18/50/44/216185044.db2.gz ANMMRPQAKBAMEO-CQSZACIVSA-N 0 0 340.431 2.149 40 0 EEABRN NS(=O)(=O)c1ccc(CCC(=O)Nc2c(F)cccc2F)cc1 ZINC000408609398 238297536 /nfs/dbraw/zinc/29/75/36/238297536.db2.gz SUHFSGWXHYTBSL-UHFFFAOYSA-N 0 0 340.351 2.184 40 0 EEABRN CCN(C)S(=O)(=O)NCC1(c2ccccc2Br)CC1 ZINC000072711749 216296681 /nfs/dbraw/zinc/29/66/81/216296681.db2.gz COZPJDPBLUDRMN-UHFFFAOYSA-N 0 0 347.278 2.267 40 0 EEABRN COC(=O)[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000173622386 291266445 /nfs/dbraw/zinc/26/64/45/291266445.db2.gz BQLFXRZRVVXHNA-NHYWBVRUSA-N 0 0 332.379 2.318 40 0 EEABRN CCCCCn1c2ccccc2nc1CN1CCN(CCO)CC1 ZINC000022592048 212309154 /nfs/dbraw/zinc/30/91/54/212309154.db2.gz ZWSXCCZOHIBORQ-UHFFFAOYSA-N 0 0 330.476 2.336 40 0 EEABRN CCn1ncnc1CN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000193311902 240104172 /nfs/dbraw/zinc/10/41/72/240104172.db2.gz BFWXEIIBQTYJQP-UHFFFAOYSA-N 0 0 348.520 2.370 40 0 EEABRN O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1cccnc1 ZINC000075156428 216587620 /nfs/dbraw/zinc/58/76/20/216587620.db2.gz SRJPIALCQZFFIC-UHFFFAOYSA-N 0 0 349.394 2.093 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NCCc2ccc(C)cc2)CC1 ZINC000193740567 240290457 /nfs/dbraw/zinc/29/04/57/240290457.db2.gz SVGGSJNMZWGSRR-UHFFFAOYSA-N 0 0 338.473 2.146 40 0 EEABRN O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CCCc2cccnc21 ZINC000194460861 240591241 /nfs/dbraw/zinc/59/12/41/240591241.db2.gz UEVDFWDBJARTBQ-CQSZACIVSA-N 0 0 335.367 2.263 40 0 EEABRN NC(=O)c1ccc(N2CCC[C@@H](Oc3ccccc3Cl)C2)nn1 ZINC000195575607 241022005 /nfs/dbraw/zinc/02/20/05/241022005.db2.gz WTBUVQWUFHMEKE-LLVKDONJSA-N 0 0 332.791 2.277 40 0 EEABRN O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1cccs1 ZINC000211095989 241078185 /nfs/dbraw/zinc/07/81/85/241078185.db2.gz FRCOMJRYJWTKPX-UHFFFAOYSA-N 0 0 338.458 2.007 40 0 EEABRN COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc1 ZINC000208002660 241065522 /nfs/dbraw/zinc/06/55/22/241065522.db2.gz HREBRSNDAWYKKX-CQSZACIVSA-N 0 0 327.384 2.188 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2cccc(OC)c2)s1 ZINC000223611687 241672600 /nfs/dbraw/zinc/67/26/00/241672600.db2.gz OMLQYAZMSKVNOC-UHFFFAOYSA-N 0 0 339.398 2.064 40 0 EEABRN COc1ccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000225977364 242084050 /nfs/dbraw/zinc/08/40/50/242084050.db2.gz HORDZWRXWPXOEQ-UHFFFAOYSA-N 0 0 348.424 2.272 40 0 EEABRN Cn1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cn1 ZINC000225764323 242024716 /nfs/dbraw/zinc/02/47/16/242024716.db2.gz SCFMAYRNFYUFPW-UHFFFAOYSA-N 0 0 328.391 2.227 40 0 EEABRN COc1cc(N)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000227146634 242122292 /nfs/dbraw/zinc/12/22/92/242122292.db2.gz AJERDAMOBPRYTL-UHFFFAOYSA-N 0 0 335.385 2.037 40 0 EEABRN CCN1c2cc(S(=O)(=O)NC3CCCCC3)ccc2OCC1=O ZINC000227162111 242124872 /nfs/dbraw/zinc/12/48/72/242124872.db2.gz BQGIRIBLJUIPJJ-UHFFFAOYSA-N 0 0 338.429 2.043 40 0 EEABRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000230120403 242233633 /nfs/dbraw/zinc/23/36/33/242233633.db2.gz ALHQRILXPNGZGG-GARJFASQSA-N 0 0 338.395 2.188 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1c1cccc(O)c1)CC2 ZINC000242288031 243014168 /nfs/dbraw/zinc/01/41/68/243014168.db2.gz YKNCIFZBXCGERJ-PMPSAXMXSA-N 0 0 329.396 2.297 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@H]21 ZINC000241739161 243000900 /nfs/dbraw/zinc/00/09/00/243000900.db2.gz RANALQKAYCCWGF-IAGOWNOFSA-N 0 0 349.500 2.283 40 0 EEABRN COCCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O ZINC000020798038 212171081 /nfs/dbraw/zinc/17/10/81/212171081.db2.gz RBYAUFSGTMAYCU-UHFFFAOYSA-N 0 0 325.372 2.262 40 0 EEABRN Cc1cc(C)c2nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc(C)c2c1 ZINC000020673189 212159684 /nfs/dbraw/zinc/15/96/84/212159684.db2.gz VBJGSSFTKHUXAN-UHFFFAOYSA-N 0 0 339.399 2.225 40 0 EEABRN COCCCN1CN=C(Nc2nc(C)c3cc(C)cc(C)c3n2)NC1 ZINC000020634457 212158045 /nfs/dbraw/zinc/15/80/45/212158045.db2.gz VTVSHBRNGSTDFF-UHFFFAOYSA-N 0 0 342.447 2.180 40 0 EEABRN COCCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1C ZINC000020633659 212157057 /nfs/dbraw/zinc/15/70/57/212157057.db2.gz HSEPXFSLIYUXKD-UHFFFAOYSA-N 0 0 326.356 2.211 40 0 EEABRN Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000253420344 243956780 /nfs/dbraw/zinc/95/67/80/243956780.db2.gz WLBGYHMZSRSRRM-CYBMUJFWSA-N 0 0 327.388 2.049 40 0 EEABRN CCS(=O)(=O)N1c2ccc(C(=O)NCc3ccco3)cc2C[C@@H]1C ZINC000020448913 212129833 /nfs/dbraw/zinc/12/98/33/212129833.db2.gz JBZLPWGDIYHUSC-LBPRGKRZSA-N 0 0 348.424 2.310 40 0 EEABRN CC(C)c1noc(CCC(=O)N2CCC[C@@H](c3cnccn3)C2)n1 ZINC000257201411 244120875 /nfs/dbraw/zinc/12/08/75/244120875.db2.gz AHQCNPSCHIHUJY-CYBMUJFWSA-N 0 0 329.404 2.322 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)ccn1 ZINC000257208880 244142982 /nfs/dbraw/zinc/14/29/82/244142982.db2.gz BNXAGGGQOHQNPR-AWEZNQCLSA-N 0 0 336.399 2.186 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257210291 244147155 /nfs/dbraw/zinc/14/71/55/244147155.db2.gz BTZLISDDEZZEGC-CYBMUJFWSA-N 0 0 330.388 2.126 40 0 EEABRN C[C@]12CCCCN(S(=O)(=O)c3cccc(F)c3)[C@H]1CCC(=O)N2 ZINC000257211755 244152628 /nfs/dbraw/zinc/15/26/28/244152628.db2.gz CAHADWXKAKOJQW-HOCLYGCPSA-N 0 0 340.420 2.038 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257215515 244166710 /nfs/dbraw/zinc/16/67/10/244166710.db2.gz CQMVTZOLNZGFJO-SFHVURJKSA-N 0 0 341.411 2.462 40 0 EEABRN CC(C)c1nnsc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257226378 244202120 /nfs/dbraw/zinc/20/21/20/244202120.db2.gz FKKLGFIFQLABOZ-NSHDSACASA-N 0 0 347.444 2.276 40 0 EEABRN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257230747 244212675 /nfs/dbraw/zinc/21/26/75/244212675.db2.gz GDSFBWKUIGFOGI-ICSRJNTNSA-N 0 0 329.440 2.250 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@H](c2ccncn2)C1 ZINC000257232247 244215498 /nfs/dbraw/zinc/21/54/98/244215498.db2.gz GJYVFXOQAOIDRI-AWEZNQCLSA-N 0 0 334.383 2.282 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 ZINC000257220219 244181099 /nfs/dbraw/zinc/18/10/99/244181099.db2.gz DKBZWWJXSLZKCD-INIZCTEOSA-N 0 0 349.394 2.280 40 0 EEABRN Cc1nc2sccn2c1CN1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257220239 244181548 /nfs/dbraw/zinc/18/15/48/244181548.db2.gz DKDMNQGFYQBCJV-OAHLLOKOSA-N 0 0 329.429 2.376 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cccs1 ZINC000257221008 244184410 /nfs/dbraw/zinc/18/44/10/244184410.db2.gz DNDZBBCQYGCRNJ-AWEZNQCLSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1ccc(CC(=O)N2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)s1 ZINC000257245570 244255486 /nfs/dbraw/zinc/25/54/86/244255486.db2.gz IQEGTDBHBKHQPV-CQSZACIVSA-N 0 0 333.413 2.003 40 0 EEABRN CCCn1cc(CN2CCN(C=O)C[C@H]2c2ccccc2OC)cn1 ZINC000257237566 244232546 /nfs/dbraw/zinc/23/25/46/244232546.db2.gz HHBTXCQLVOGWEE-SFHVURJKSA-N 0 0 342.443 2.317 40 0 EEABRN CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2C(=O)COC)n1 ZINC000257237780 244232924 /nfs/dbraw/zinc/23/29/24/244232924.db2.gz HIDXASLQQQMHBI-MRXNPFEDSA-N 0 0 343.431 2.368 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)n1 ZINC000257254145 244276320 /nfs/dbraw/zinc/27/63/20/244276320.db2.gz KBVWRZXTYKKVGY-MRXNPFEDSA-N 0 0 343.431 2.095 40 0 EEABRN COc1cc(OC)cc(C(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)c1 ZINC000257256659 244284892 /nfs/dbraw/zinc/28/48/92/244284892.db2.gz KMJXDPJPAPNHEA-BRWVUGGUSA-N 0 0 337.416 2.094 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2sccc2C)n1 ZINC000257265437 244361651 /nfs/dbraw/zinc/36/16/51/244361651.db2.gz LYQOZQMYOIATTE-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1cc(N2CCC[C@@H](Cc3cncc(-c4cncn4C)n3)C2)ncn1 ZINC000257267034 244365254 /nfs/dbraw/zinc/36/52/54/244365254.db2.gz MFRSPVRNHWIDIW-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2C)C1 ZINC000020017651 212093511 /nfs/dbraw/zinc/09/35/11/212093511.db2.gz BHORVKLXVFLQBP-LBPRGKRZSA-N 0 0 328.409 2.134 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 ZINC000257270275 244374436 /nfs/dbraw/zinc/37/44/36/244374436.db2.gz MTMSCXOOYOGMLP-HNNXBMFYSA-N 0 0 339.399 2.004 40 0 EEABRN CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2ccco2)cn1 ZINC000257270755 244376981 /nfs/dbraw/zinc/37/69/81/244376981.db2.gz MVNQXGIZYBYQFM-UHFFFAOYSA-N 0 0 338.367 2.031 40 0 EEABRN CNc1cccc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261110 244347836 /nfs/dbraw/zinc/34/78/36/244347836.db2.gz LFTFNNZBZFIHIW-SFHVURJKSA-N 0 0 343.427 2.068 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257261386 244349900 /nfs/dbraw/zinc/34/99/00/244349900.db2.gz LHBJWRDUVRGURD-QGZVFWFLSA-N 0 0 333.403 2.412 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc(C)n1 ZINC000257261560 244350729 /nfs/dbraw/zinc/35/07/29/244350729.db2.gz LHWPJQKYYXKJFF-AWEZNQCLSA-N 0 0 326.404 2.016 40 0 EEABRN CCn1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000257273435 244387268 /nfs/dbraw/zinc/38/72/68/244387268.db2.gz NGOJBQRHDSJYOD-UHFFFAOYSA-N 0 0 348.472 2.179 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCc3ccccc3)cc2oc1=O ZINC000019936723 212087507 /nfs/dbraw/zinc/08/75/07/212087507.db2.gz VWQHLTWFSKRZPG-UHFFFAOYSA-N 0 0 332.381 2.093 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)CCCn2ccnc2)CCN1C ZINC000257278001 244398534 /nfs/dbraw/zinc/39/85/34/244398534.db2.gz OAIYPZSQWNRPTG-KRWDZBQOSA-N 0 0 342.443 2.187 40 0 EEABRN CCCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)ccn1 ZINC000257296419 244448945 /nfs/dbraw/zinc/44/89/45/244448945.db2.gz RCTLOLFUPQDOEH-OAHLLOKOSA-N 0 0 334.445 2.452 40 0 EEABRN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCOC3)[nH]n2)c1 ZINC000019552693 212040923 /nfs/dbraw/zinc/04/09/23/212040923.db2.gz BTLNJUDBWCQJBX-LLVKDONJSA-N 0 0 331.372 2.003 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCCCO)C1 ZINC000019524396 212038037 /nfs/dbraw/zinc/03/80/37/212038037.db2.gz BVXDRJSHFUXWGO-OAHLLOKOSA-N 0 0 344.459 2.161 40 0 EEABRN O=C(c1ccncc1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000019345428 212020340 /nfs/dbraw/zinc/02/03/40/212020340.db2.gz JWFXXFIWRFNOTH-UHFFFAOYSA-N 0 0 334.379 2.338 40 0 EEABRN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000019345538 212020175 /nfs/dbraw/zinc/02/01/75/212020175.db2.gz OCMGQLPUMWHYSZ-KBXCAEBGSA-N 0 0 344.411 2.373 40 0 EEABRN O=C(Cc1ccccc1Cl)N1CCN(CCCc2cn[nH]c2)CC1 ZINC000078047763 217014026 /nfs/dbraw/zinc/01/40/26/217014026.db2.gz CPLJSACGIASNAL-UHFFFAOYSA-N 0 0 346.862 2.383 40 0 EEABRN Cc1ccnc2nc(C(=O)NCCc3nc(C(C)(C)C)cs3)nn21 ZINC000078513729 217066154 /nfs/dbraw/zinc/06/61/54/217066154.db2.gz RWXZRCQXTFCDLI-UHFFFAOYSA-N 0 0 344.444 2.159 40 0 EEABRN C[C@H](NC(=O)c1ccoc1)c1nc(CC(=O)Nc2ccccc2)no1 ZINC000078774419 217119024 /nfs/dbraw/zinc/11/90/24/217119024.db2.gz LVYGFJBHCABKPN-NSHDSACASA-N 0 0 340.339 2.335 40 0 EEABRN CC(C)C[C@@](C)(NC(=O)c1ccc(NC(=O)NC(C)C)cc1)C(N)=O ZINC000078919006 217147111 /nfs/dbraw/zinc/14/71/11/217147111.db2.gz FZVKQDCUZTVOAD-GOSISDBHSA-N 0 0 348.447 2.236 40 0 EEABRN O=C(c1nccc2ccccc21)N1CCCN(c2ncccn2)CC1 ZINC000079000134 217171422 /nfs/dbraw/zinc/17/14/22/217171422.db2.gz CIVMXODFFQIQAH-UHFFFAOYSA-N 0 0 333.395 2.377 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)Cn3nnc4ccccc43)c2c1 ZINC000079051262 217183374 /nfs/dbraw/zinc/18/33/74/217183374.db2.gz JGJFTBSHKGNKKV-UHFFFAOYSA-N 0 0 349.394 2.280 40 0 EEABRN Cn1cc(COC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)cn1 ZINC000079333151 217210373 /nfs/dbraw/zinc/21/03/73/217210373.db2.gz CIMZUXXJCPATEW-UHFFFAOYSA-N 0 0 341.346 2.374 40 0 EEABRN CC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000079321195 217208226 /nfs/dbraw/zinc/20/82/26/217208226.db2.gz LLKDGKNLNKNKHG-CYBMUJFWSA-N 0 0 346.374 2.286 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)[C@H]1SCCc2sccc21 ZINC000080263807 217292611 /nfs/dbraw/zinc/29/26/11/217292611.db2.gz NSGZBGZVZNLMMM-DOMZBBRYSA-N 0 0 340.514 2.306 40 0 EEABRN C[C@H](NC(=O)N[C@H](CO)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000080560254 217314190 /nfs/dbraw/zinc/31/41/90/217314190.db2.gz QUXCKSAYMFFQJT-WCQYABFASA-N 0 0 332.404 2.461 40 0 EEABRN O=S(=O)(N[C@@H]1CCCC[C@@H]1n1cccn1)c1c[nH]c2ncccc12 ZINC000081187134 217369718 /nfs/dbraw/zinc/36/97/18/217369718.db2.gz HCUSBQXRFRZYKQ-KGLIPLIRSA-N 0 0 345.428 2.222 40 0 EEABRN COc1cccc([C@@H](C)N2CCN(C(=O)Cc3cc(C)on3)CC2)c1 ZINC000081349263 217385899 /nfs/dbraw/zinc/38/58/99/217385899.db2.gz ODGMFYCIERRGLT-OAHLLOKOSA-N 0 0 343.427 2.440 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccncc1 ZINC000085467423 217669582 /nfs/dbraw/zinc/66/95/82/217669582.db2.gz TWGMQKMNIIUYLT-QGZVFWFLSA-N 0 0 341.386 2.184 40 0 EEABRN CCCc1cc(CNC(=O)[C@@]2(C)CC(=O)N=C3C=C(C)C=CN32)on1 ZINC000012192581 211315001 /nfs/dbraw/zinc/31/50/01/211315001.db2.gz XDQOVOAOIZVNJD-GOSISDBHSA-N 0 0 342.399 2.106 40 0 EEABRN COC(=O)[C@@H]1CN(C(=O)c2cscn2)C[C@H]1c1ccc(OC)cc1 ZINC000012181306 211310963 /nfs/dbraw/zinc/31/09/63/211310963.db2.gz WYAIOUOZIUGSSV-UONOGXRCSA-N 0 0 346.408 2.181 40 0 EEABRN O=C(CCN1CCCC1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012221906 211323445 /nfs/dbraw/zinc/32/34/45/211323445.db2.gz FFJXEYVWSGERAT-HNNXBMFYSA-N 0 0 326.400 2.239 40 0 EEABRN COCCNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 ZINC000012222523 211323528 /nfs/dbraw/zinc/32/35/28/211323528.db2.gz KWSVVFJYXJNOGL-UHFFFAOYSA-N 0 0 347.440 2.023 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)N2CCc3ccccc32)c1=O ZINC000012117575 211298672 /nfs/dbraw/zinc/29/86/72/211298672.db2.gz CXJKNDWXGLTAPZ-UHFFFAOYSA-N 0 0 336.395 2.368 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCCCC4)nc(C)n23)o1 ZINC000012115495 211294802 /nfs/dbraw/zinc/29/48/02/211294802.db2.gz FODDIDBKUBIUIX-UHFFFAOYSA-N 0 0 342.399 2.262 40 0 EEABRN COCCN(C(=O)C1CC1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146070 211306184 /nfs/dbraw/zinc/30/61/84/211306184.db2.gz HGACWBAEALFYRB-UHFFFAOYSA-N 0 0 332.429 2.032 40 0 EEABRN CC(C)n1c2nc(-c3ccc(Cl)cc3)nc(C(N)=O)c2[nH]c1=O ZINC000012145938 211306051 /nfs/dbraw/zinc/30/60/51/211306051.db2.gz RPGDXCZHKWLLCO-UHFFFAOYSA-N 0 0 331.763 2.120 40 0 EEABRN COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000009188988 211050828 /nfs/dbraw/zinc/05/08/28/211050828.db2.gz NEMOZOUNRBMOKL-GHMZBOCLSA-N 0 0 325.430 2.497 40 0 EEABRN O=C(c1cscn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107533 296298653 /nfs/dbraw/zinc/29/86/53/296298653.db2.gz OCLUYFXVCAKFRK-GUYCJALGSA-N 0 0 345.424 2.381 40 0 EEABRN CN(C[C@@H](O)C1CC1)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000095411265 218347893 /nfs/dbraw/zinc/34/78/93/218347893.db2.gz HFCYLIGWURHLLL-QGZVFWFLSA-N 0 0 346.475 2.374 40 0 EEABRN O=C(CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000095450369 218394740 /nfs/dbraw/zinc/39/47/40/218394740.db2.gz JQQLNMISBMIVGT-AWEZNQCLSA-N 0 0 345.226 2.156 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(C)cc1Br ZINC000095454009 218397161 /nfs/dbraw/zinc/39/71/61/218397161.db2.gz KFMDNESHQKRIMX-NSHDSACASA-N 0 0 339.233 2.417 40 0 EEABRN Cc1csc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000095949471 218459504 /nfs/dbraw/zinc/45/95/04/218459504.db2.gz YPISTVPGEMYQFB-UHFFFAOYSA-N 0 0 334.420 2.351 40 0 EEABRN COCc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(COC)C2)cc1 ZINC000096039280 218521053 /nfs/dbraw/zinc/52/10/53/218521053.db2.gz WXWZAPNWCMEEHG-QUCCMNQESA-N 0 0 347.455 2.420 40 0 EEABRN Cc1noc([C@@H]2C[C@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]3O2)n1 ZINC000096045812 218532154 /nfs/dbraw/zinc/53/21/54/218532154.db2.gz AKKBDZBYKHLXKU-BGTUOCILSA-N 0 0 331.397 2.441 40 0 EEABRN c1cnc(N2CCC3(CO[C@@H](COCC4CCOCC4)C3)CC2)nc1 ZINC000096106066 218597743 /nfs/dbraw/zinc/59/77/43/218597743.db2.gz PJMFYTYCUKQTMJ-QGZVFWFLSA-N 0 0 347.459 2.295 40 0 EEABRN CO[C@@]1(CNS(=O)(=O)c2cc(C)c(C)cc2C)CCSC1 ZINC000096097667 218591043 /nfs/dbraw/zinc/59/10/43/218591043.db2.gz LQASTAXRJURPGY-OAHLLOKOSA-N 0 0 329.487 2.412 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108777 218603731 /nfs/dbraw/zinc/60/37/31/218603731.db2.gz HGOCTFPEXHMDRK-VQIMIIECSA-N 0 0 349.427 2.120 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)ccn3)OCC(=O)N2C)cc1 ZINC000096181447 218642972 /nfs/dbraw/zinc/64/29/72/218642972.db2.gz RWXYVRIXEZWFLX-MSOLQXFVSA-N 0 0 339.395 2.235 40 0 EEABRN Cc1nc(Nc2ccc3c(c2)OCO3)cc(C(=O)N2CCCC2)n1 ZINC000096182711 218644587 /nfs/dbraw/zinc/64/45/87/218644587.db2.gz UFXIUXKMHLUZRV-UHFFFAOYSA-N 0 0 326.356 2.493 40 0 EEABRN O=C(c1ccsc1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185061 218648621 /nfs/dbraw/zinc/64/86/21/218648621.db2.gz OYJYJHBUVUHPGS-XHSDSOJGSA-N 0 0 330.409 2.199 40 0 EEABRN COc1ccccc1C1=NO[C@](C)(C(=O)NCCc2ccccn2)C1 ZINC000096193113 218662038 /nfs/dbraw/zinc/66/20/38/218662038.db2.gz LSRYLCTXRBSNAG-IBGZPJMESA-N 0 0 339.395 2.332 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)nc1 ZINC000096218137 218692922 /nfs/dbraw/zinc/69/29/22/218692922.db2.gz QYRVCZOATWLUTC-YOEHRIQHSA-N 0 0 330.363 2.218 40 0 EEABRN Cc1ncsc1CN1CCOC[C@H]1c1nccc(N2CCCC2)n1 ZINC000096219172 218694628 /nfs/dbraw/zinc/69/46/28/218694628.db2.gz JOZGUFRXSURWIB-AWEZNQCLSA-N 0 0 345.472 2.415 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096227716 218704750 /nfs/dbraw/zinc/70/47/50/218704750.db2.gz DNQNYSXWFBTTOD-WMLDXEAASA-N 0 0 333.457 2.292 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC[C@@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228972 218705353 /nfs/dbraw/zinc/70/53/53/218705353.db2.gz NNUDPLKVSHNTBH-UYAOXDASSA-N 0 0 344.455 2.311 40 0 EEABRN CSC[C@](C)(O)CNC(=O)c1ccc(Br)cc1F ZINC000096414643 218772434 /nfs/dbraw/zinc/77/24/34/218772434.db2.gz OADZIULIZJKGRR-GFCCVEGCSA-N 0 0 336.226 2.432 40 0 EEABRN CCn1cc(NC(=O)C(=O)NC[C@@H](C)c2cccc(C)c2)ccc1=O ZINC000096422120 218788681 /nfs/dbraw/zinc/78/86/81/218788681.db2.gz VVDQFDGEIKPHPQ-CQSZACIVSA-N 0 0 341.411 2.035 40 0 EEABRN CCOc1c(F)cccc1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000096430888 218805204 /nfs/dbraw/zinc/80/52/04/218805204.db2.gz SFDYDYOGBWFJRT-UHFFFAOYSA-N 0 0 344.390 2.367 40 0 EEABRN O=C(CC1(O)CCCC1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000096444684 218826385 /nfs/dbraw/zinc/82/63/85/218826385.db2.gz PLYTUJYMNOQZMH-INIZCTEOSA-N 0 0 330.428 2.103 40 0 EEABRN C[C@@](NC(=O)c1cccnc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454533 218838386 /nfs/dbraw/zinc/83/83/86/218838386.db2.gz VWCASBRYLNMXFE-HNNXBMFYSA-N 0 0 337.301 2.231 40 0 EEABRN COc1ccccc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000096482596 218858023 /nfs/dbraw/zinc/85/80/23/218858023.db2.gz NFQPPVAAPNCUPD-KRWDZBQOSA-N 0 0 332.787 2.479 40 0 EEABRN CC(C)[C@H](O)Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097379286 219020037 /nfs/dbraw/zinc/02/00/37/219020037.db2.gz VEZZKUHPNFRNIW-MRXNPFEDSA-N 0 0 331.416 2.128 40 0 EEABRN CCN(C1CCN(C(=O)c2cc(C)ccc2F)CC1)S(C)(=O)=O ZINC000066855109 255748028 /nfs/dbraw/zinc/74/80/28/255748028.db2.gz MPIHFWNHSSEJHS-UHFFFAOYSA-N 0 0 342.436 2.020 40 0 EEABRN Cc1noc(C)c1Cc1nc([C@@H]2CC(=O)N(CC3CCC3)C2)no1 ZINC000274019304 256346923 /nfs/dbraw/zinc/34/69/23/256346923.db2.gz SRDAJACBEOJPOD-CYBMUJFWSA-N 0 0 330.388 2.381 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000006945125 257865347 /nfs/dbraw/zinc/86/53/47/257865347.db2.gz XYUHBPGBGQEUBD-LLVKDONJSA-N 0 0 332.853 2.411 40 0 EEABRN COC(=O)C1=C(C)[C@@](C(C)=O)(C(=O)OC)NC(C)=C1c1ccccc1 ZINC000408723061 257890692 /nfs/dbraw/zinc/89/06/92/257890692.db2.gz ZELMCXWPXAKWTR-LJQANCHMSA-N 0 0 343.379 2.011 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)c1cccs1 ZINC000096473451 533283340 /nfs/dbraw/zinc/28/33/40/533283340.db2.gz AKEQIOTYWJYWHN-RYUDHWBXSA-N 0 0 349.460 2.424 40 0 EEABRN Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)n2ncnc2n1 ZINC000035312257 132389466 /nfs/dbraw/zinc/38/94/66/132389466.db2.gz SNUDYHMPXWXUBI-UHFFFAOYSA-N 0 0 342.447 2.098 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](c1ccccc1)N(C)C)CC2 ZINC000247332349 286295112 /nfs/dbraw/zinc/29/51/12/286295112.db2.gz XXWSXEKVDBYXSP-KURKYZTESA-N 0 0 346.471 2.068 40 0 EEABRN C[C@@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)c2cnn(C)c21 ZINC000278495338 269234061 /nfs/dbraw/zinc/23/40/61/269234061.db2.gz HUMYMPWKNOBPEX-CYBMUJFWSA-N 0 0 336.395 2.103 40 0 EEABRN CC(C)N1CN=C2N[C@@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638314 277631691 /nfs/dbraw/zinc/63/16/91/277631691.db2.gz DKOKBOUNZJAILS-QGZVFWFLSA-N 0 0 347.426 2.383 40 0 EEABRN COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)c1ccnnc1 ZINC000257302897 278061143 /nfs/dbraw/zinc/06/11/43/278061143.db2.gz SEWPSRGFDIBSRM-INIZCTEOSA-N 0 0 349.394 2.387 40 0 EEABRN COc1ccccc1[C@H](CNC(=O)NCc1cc(C)on1)N(C)C ZINC000060058922 278062234 /nfs/dbraw/zinc/06/22/34/278062234.db2.gz XPEWWSIYCIJVLH-HNNXBMFYSA-N 0 0 332.404 2.094 40 0 EEABRN CC1(C)CC[C@H](CNC(=O)N2CCSC3(CCOCC3)C2)O1 ZINC000188710886 278278016 /nfs/dbraw/zinc/27/80/16/278278016.db2.gz BZEAZPBJXCYNJW-CYBMUJFWSA-N 0 0 328.478 2.252 40 0 EEABRN Cc1nc(CN2CCC3(CN(C(=O)c4ccncc4)C3)C2)cs1 ZINC000096202537 279082729 /nfs/dbraw/zinc/08/27/29/279082729.db2.gz LIROTDBHRCLNKB-UHFFFAOYSA-N 0 0 328.441 2.195 40 0 EEABRN Cc1ccccc1[C@H](O)[C@@](Cl)(Br)S(C)(=O)=O ZINC000096519768 302200178 /nfs/dbraw/zinc/20/01/78/302200178.db2.gz ZOYKSIVIHAZIPU-UWVGGRQHSA-N 0 0 327.627 2.361 40 0 EEABRN Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)ccn1 ZINC000332544869 312022866 /nfs/dbraw/zinc/02/28/66/312022866.db2.gz ZMLPZDBRTHVJQD-UHFFFAOYSA-N 0 0 337.423 2.226 40 0 EEABRN CN(C)c1ccnc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)c1 ZINC000097101818 323320184 /nfs/dbraw/zinc/32/01/84/323320184.db2.gz NTFDOGTWDUSLKG-UHFFFAOYSA-N 0 0 344.381 2.246 40 0 EEABRN Cc1ccccc1C(=O)NCC(=O)N1CCN(C)c2cc(F)ccc21 ZINC000097096047 323320597 /nfs/dbraw/zinc/32/05/97/323320597.db2.gz UIIBUZOZCPASLK-UHFFFAOYSA-N 0 0 341.386 2.347 40 0 EEABRN O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(F)c1 ZINC000157502250 323333393 /nfs/dbraw/zinc/33/33/93/323333393.db2.gz FSQKFJYMMFOUJA-UHFFFAOYSA-N 0 0 330.241 2.162 40 0 EEABRN O=S(=O)(CCO)c1ccc(NCc2cc(F)ccc2F)cc1 ZINC000159011730 323333768 /nfs/dbraw/zinc/33/37/68/323333768.db2.gz YNJZGMNHIKCSIY-UHFFFAOYSA-N 0 0 327.352 2.343 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCCc1ccc(C)cc1)CC2 ZINC000163379082 323334564 /nfs/dbraw/zinc/33/45/64/323334564.db2.gz XMUDCVUUZYNKFK-MSOLQXFVSA-N 0 0 346.471 2.499 40 0 EEABRN COc1cc(S(=O)(=O)NCCc2cn3ccccc3n2)ccc1F ZINC000190488178 323468955 /nfs/dbraw/zinc/46/89/55/323468955.db2.gz XGXCVMWXTAQAHE-UHFFFAOYSA-N 0 0 349.387 2.003 40 0 EEABRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N[C@H]1CNC(=O)C1 ZINC000390833255 323545245 /nfs/dbraw/zinc/54/52/45/323545245.db2.gz FHLITVFVFPBPRF-SNVBAGLBSA-N 0 0 348.309 2.162 40 0 EEABRN CC[C@@H](C)Oc1cc(C(=O)N2CC(n3nc(C)nc3C)C2)ccn1 ZINC000328802017 465134496 /nfs/dbraw/zinc/13/44/96/465134496.db2.gz ZPKQLTPZZLISLQ-LLVKDONJSA-N 0 0 329.404 2.164 40 0 EEABRN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cn(C)c3ccccc23)n1 ZINC000329076314 465226707 /nfs/dbraw/zinc/22/67/07/465226707.db2.gz PSSYKHGCNRZSNC-BZNIZROVSA-N 0 0 340.383 2.472 40 0 EEABRN Cn1ncc(Br)c1C(=O)NC(=S)N1CCCCCC1 ZINC000002756131 462600615 /nfs/dbraw/zinc/60/06/15/462600615.db2.gz SVTREKJDDVKTSD-UHFFFAOYSA-N 0 0 345.266 2.073 40 0 EEABRN Nc1ncnn1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002739638 462601121 /nfs/dbraw/zinc/60/11/21/462601121.db2.gz BESICTXXLGMGPZ-UHFFFAOYSA-N 0 0 330.351 2.402 40 0 EEABRN CNC(=O)c1cccc(NC(=O)c2nnc3ccc(Cl)cc3n2)c1 ZINC000046088911 462646638 /nfs/dbraw/zinc/64/66/38/462646638.db2.gz IJWVDOOAOGIEOS-UHFFFAOYSA-N 0 0 341.758 2.290 40 0 EEABRN O=S1(=O)Cc2ccc(cc2)CS(=O)(=O)Cc2ccc(cc2)C1 ZINC000005583047 462663774 /nfs/dbraw/zinc/66/37/74/462663774.db2.gz KMZJQHJZVRLGLU-UHFFFAOYSA-N 0 0 336.434 2.230 40 0 EEABRN CC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 ZINC000006175282 462678464 /nfs/dbraw/zinc/67/84/64/462678464.db2.gz PCQOKFBQCDZDPV-LBPRGKRZSA-N 0 0 346.408 2.195 40 0 EEABRN Cc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1Cl ZINC000006205858 462679925 /nfs/dbraw/zinc/67/99/25/462679925.db2.gz HDZDPGSHUIPWGE-UHFFFAOYSA-N 0 0 332.853 2.187 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc2c(cc1C)OCO2 ZINC000006349567 462682899 /nfs/dbraw/zinc/68/28/99/462682899.db2.gz UJIJTQJNMAYTPU-CQSZACIVSA-N 0 0 334.397 2.080 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@H](c3nnc(C(F)(F)F)o3)C2)no1 ZINC000075165226 462690089 /nfs/dbraw/zinc/69/00/89/462690089.db2.gz TZPPMHDYJWOXRN-QMMMGPOBSA-N 0 0 330.266 2.405 40 0 EEABRN CCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000008476003 462784640 /nfs/dbraw/zinc/78/46/40/462784640.db2.gz NIHYLRGPMHZFBM-UHFFFAOYSA-N 0 0 348.424 2.418 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000008477671 462785901 /nfs/dbraw/zinc/78/59/01/462785901.db2.gz NASCPJCRSLLQEQ-UHFFFAOYSA-N 0 0 334.388 2.037 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1 ZINC000008508360 462786605 /nfs/dbraw/zinc/78/66/05/462786605.db2.gz FJNUIWJZYAVHGD-UHFFFAOYSA-N 0 0 348.424 2.311 40 0 EEABRN O=C(N1CCOCC1)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC000012113649 462843487 /nfs/dbraw/zinc/84/34/87/462843487.db2.gz QASYDDQBISMAOF-UHFFFAOYSA-N 0 0 348.374 2.078 40 0 EEABRN CC[C@@H](C(=O)N1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715117 462901395 /nfs/dbraw/zinc/90/13/95/462901395.db2.gz SJCIQGIRPMZLJV-HNNXBMFYSA-N 0 0 342.436 2.383 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)c1ccccc1S(C)(=O)=O ZINC000014059927 462909074 /nfs/dbraw/zinc/90/90/74/462909074.db2.gz OHJHNXCMYLYTPW-MSUUIHNZSA-N 0 0 346.433 2.384 40 0 EEABRN Cn1cc([C@H]2[C@@H](C(=O)OCc3cccs3)CCC(=O)N2C)cn1 ZINC000076851321 462917351 /nfs/dbraw/zinc/91/73/51/462917351.db2.gz XXVHOHXQXDNSHU-ZFWWWQNUSA-N 0 0 333.413 2.135 40 0 EEABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCOCC1 ZINC000014400553 462926844 /nfs/dbraw/zinc/92/68/44/462926844.db2.gz FFKHSAHYUHAEEJ-HNNXBMFYSA-N 0 0 334.460 2.200 40 0 EEABRN CCCn1cnc2c1CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2 ZINC000015706997 462961325 /nfs/dbraw/zinc/96/13/25/462961325.db2.gz UDIGMVMDCVXNAI-HNNXBMFYSA-N 0 0 345.374 2.172 40 0 biogenic,in-vitro EEABRN COc1cc(C(=O)[C@H](c2ccc(O)cc2)C(OC)OC)c(O)cc1O ZINC000077291897 462962860 /nfs/dbraw/zinc/96/28/60/462962860.db2.gz SIKRJIMDZWKNAT-INIZCTEOSA-N 0 0 348.351 2.397 40 0 in-vitro EEABRN Cc1noc([C@@H](C)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)n1 ZINC000077411162 462982472 /nfs/dbraw/zinc/98/24/72/462982472.db2.gz DNBWYPNNLQDHMN-LLVKDONJSA-N 0 0 336.417 2.399 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(Cl)cc1 ZINC000017323987 462999288 /nfs/dbraw/zinc/99/92/88/462999288.db2.gz SUHWBBCVZAZAJS-GASCZTMLSA-N 0 0 346.814 2.298 40 0 EEABRN COC(=O)c1coc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000134152546 463009118 /nfs/dbraw/zinc/00/91/18/463009118.db2.gz XEUSIQVCOPLOKJ-QMMMGPOBSA-N 0 0 345.323 2.384 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)no1 ZINC000077613699 463011846 /nfs/dbraw/zinc/01/18/46/463011846.db2.gz IQRHWPGETZOKEV-GFCCVEGCSA-N 0 0 330.262 2.345 40 0 EEABRN C[C@H](C(=O)NCc1ccco1)n1nc(-c2cccs2)cc(N)c1=O ZINC000019080448 463014158 /nfs/dbraw/zinc/01/41/58/463014158.db2.gz KOMJKLDZPKUGAL-SNVBAGLBSA-N 0 0 344.396 2.024 40 0 EEABRN Cc1nccn1CC1(O)CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000019287922 463015299 /nfs/dbraw/zinc/01/52/99/463015299.db2.gz BGKHAMQNJMMKLT-UHFFFAOYSA-N 0 0 331.391 2.040 40 0 EEABRN c1cnc(-c2cnc(N3CCSCC3)nc2[C@@H]2CCCO2)cn1 ZINC000019403769 463017322 /nfs/dbraw/zinc/01/73/22/463017322.db2.gz ITVVRMWVNLWPAO-AWEZNQCLSA-N 0 0 329.429 2.338 40 0 EEABRN CCCC[C@@H](COC)NC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000077784106 463046714 /nfs/dbraw/zinc/04/67/14/463046714.db2.gz OYUVCGDJFITENZ-VIFPVBQESA-N 0 0 332.322 2.364 40 0 EEABRN CCCc1c(COC)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O ZINC000022448471 463050062 /nfs/dbraw/zinc/05/00/62/463050062.db2.gz UINCAXNBBCEJJF-UHFFFAOYSA-N 0 0 342.443 2.195 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025343 463140904 /nfs/dbraw/zinc/14/09/04/463140904.db2.gz CTAIVLIJOBJCRJ-OAHLLOKOSA-N 0 0 335.450 2.365 40 0 EEABRN CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)O1 ZINC000096038666 463143880 /nfs/dbraw/zinc/14/38/80/463143880.db2.gz VALVZUUNDJIJDM-BPUTZDHNSA-N 0 0 325.430 2.034 40 0 EEABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039396 463143986 /nfs/dbraw/zinc/14/39/86/463143986.db2.gz ZPSCMASOQVVTFS-HKUYNNGSSA-N 0 0 347.411 2.463 40 0 EEABRN COCc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@@]3(COC)C2)cc1 ZINC000096039281 463143996 /nfs/dbraw/zinc/14/39/96/463143996.db2.gz WXWZAPNWCMEEHG-ICSRJNTNSA-N 0 0 347.455 2.420 40 0 EEABRN COc1ccc(Cl)c(C(=O)N2CCO[C@H]3[C@H](OC)CC[C@@H]32)c1 ZINC000096041430 463146639 /nfs/dbraw/zinc/14/66/39/463146639.db2.gz OMTKDJUZKQKNPS-RRFJBIMHSA-N 0 0 325.792 2.367 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@H]2COCC1CC1 ZINC000096045241 463148808 /nfs/dbraw/zinc/14/88/08/463148808.db2.gz DOHAAZUTQBIJMN-HNNXBMFYSA-N 0 0 342.443 2.408 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 ZINC000096044928 463149018 /nfs/dbraw/zinc/14/90/18/463149018.db2.gz FQBISADTVQGHAC-AWEZNQCLSA-N 0 0 344.415 2.191 40 0 EEABRN Cc1nnc(N2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096065891 463163962 /nfs/dbraw/zinc/16/39/62/463163962.db2.gz MKQFJWSUCQPZDU-SOUVJXGZSA-N 0 0 332.429 2.195 40 0 EEABRN O=C(c1ccccn1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1 ZINC000096067290 463165005 /nfs/dbraw/zinc/16/50/05/463165005.db2.gz IXJZYUPEZILILK-OAHLLOKOSA-N 0 0 349.394 2.024 40 0 EEABRN CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068288 463166257 /nfs/dbraw/zinc/16/62/57/463166257.db2.gz CEFUDBZCFFLGSO-HNNXBMFYSA-N 0 0 329.400 2.285 40 0 EEABRN CO[C@]1(CNS(=O)(=O)c2ccc(Cl)s2)CCSC1 ZINC000096097663 463172312 /nfs/dbraw/zinc/17/23/12/463172312.db2.gz NBQCYWBRJJYSCG-JTQLQIEISA-N 0 0 327.880 2.202 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC[C@@H](C)C2)nc(N2CCOCC2)n1 ZINC000096100983 463173074 /nfs/dbraw/zinc/17/30/74/463173074.db2.gz BMAMLTBXJOMTCP-CQSZACIVSA-N 0 0 332.448 2.309 40 0 EEABRN Fc1cnc(N2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)nc1 ZINC000096106755 463176050 /nfs/dbraw/zinc/17/60/50/463176050.db2.gz UVXGDLHVXAWXAL-INIZCTEOSA-N 0 0 344.390 2.355 40 0 EEABRN O=C(c1ccccc1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC000096108962 463176704 /nfs/dbraw/zinc/17/67/04/463176704.db2.gz ATDOVLZBGGCXJB-UYAOXDASSA-N 0 0 338.407 2.387 40 0 EEABRN C[C@@H]1c2ncc(COCc3cccnc3)n2CCN1C(=O)C1CC1 ZINC000096109860 463178201 /nfs/dbraw/zinc/17/82/01/463178201.db2.gz IDNMLJJBGGSWRV-CYBMUJFWSA-N 0 0 326.400 2.308 40 0 EEABRN O=C(COc1ccccc1)NC[C@H]1COCc2nc3ccccc3n21 ZINC000096112449 463180360 /nfs/dbraw/zinc/18/03/60/463180360.db2.gz BTYYNQHMUNKWOL-AWEZNQCLSA-N 0 0 337.379 2.303 40 0 biogenic,in-vitro EEABRN COc1cccc(C(=O)NCc2nc(C)cc(N3CCCC3)n2)c1 ZINC000096120767 463180751 /nfs/dbraw/zinc/18/07/51/463180751.db2.gz FBEABJAHYVPDSF-UHFFFAOYSA-N 0 0 326.400 2.324 40 0 EEABRN CC(C)(NC(=O)CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000079026136 463180890 /nfs/dbraw/zinc/18/08/90/463180890.db2.gz BGAPKVLIMDSRQO-UHFFFAOYSA-N 0 0 348.262 2.235 40 0 EEABRN CC1(C)NC(=O)N(CCCC(=O)Nc2cc(C3CCCC3)[nH]n2)C1=O ZINC000135699157 463190874 /nfs/dbraw/zinc/19/08/74/463190874.db2.gz JPEBSLFPKYMEBN-UHFFFAOYSA-N 0 0 347.419 2.116 40 0 EEABRN O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000096184651 463195793 /nfs/dbraw/zinc/19/57/93/463195793.db2.gz SKDLFQNMWHRIMB-LSDHHAIUSA-N 0 0 349.481 2.181 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096186982 463199300 /nfs/dbraw/zinc/19/93/00/463199300.db2.gz PQWKTQZLHHYPBT-KFWWJZLASA-N 0 0 344.440 2.299 40 0 EEABRN Cc1cc(CN2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187136 463199366 /nfs/dbraw/zinc/19/93/66/463199366.db2.gz WDOWFCZAZANNPB-SQNIBIBYSA-N 0 0 329.400 2.327 40 0 EEABRN CN(Cc1cccnc1)Cc1cncc2c1CCN([C@@H]1CCOC1)C2 ZINC000096189526 463201996 /nfs/dbraw/zinc/20/19/96/463201996.db2.gz IDGHYPXJCVGYNL-LJQANCHMSA-N 0 0 338.455 2.256 40 0 EEABRN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1nccs1)CC2 ZINC000096201565 463206649 /nfs/dbraw/zinc/20/66/49/463206649.db2.gz MFJFFIHLICZZJI-ZDUSSCGKSA-N 0 0 335.473 2.135 40 0 EEABRN C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201802 463206685 /nfs/dbraw/zinc/20/66/85/463206685.db2.gz LWDFBOGJHJSGQD-SUYBPPKGSA-N 0 0 334.441 2.129 40 0 EEABRN O=C(Cc1ccco1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096206185 463208806 /nfs/dbraw/zinc/20/88/06/463208806.db2.gz FPXNSQRJCVIRJD-MJGOQNOKSA-N 0 0 342.395 2.446 40 0 EEABRN O=C(C1CC=CC1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096223317 463218900 /nfs/dbraw/zinc/21/89/00/463218900.db2.gz JIBSZHXXFYCPMM-MAUKXSAKSA-N 0 0 346.406 2.144 40 0 EEABRN CC(C)CC(=O)N1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096227443 463222337 /nfs/dbraw/zinc/22/23/37/463222337.db2.gz GSSATVGBFKEMEV-QFBILLFUSA-N 0 0 329.444 2.325 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096237718 463223203 /nfs/dbraw/zinc/22/32/03/463223203.db2.gz GTCSGFLWHBSJKL-NRFANRHFSA-N 0 0 349.434 2.250 40 0 EEABRN Cc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404370 463239053 /nfs/dbraw/zinc/23/90/53/463239053.db2.gz NVVVDMMFSGCYLY-YEBMWUKDSA-N 0 0 344.436 2.370 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000096406704 463240172 /nfs/dbraw/zinc/24/01/72/463240172.db2.gz ABUGMJUNIYCLOC-UHFFFAOYSA-N 0 0 336.388 2.453 40 0 EEABRN Cc1occc1CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096418666 463250423 /nfs/dbraw/zinc/25/04/23/463250423.db2.gz ZCLGVLKDIBFANL-GOSISDBHSA-N 0 0 328.412 2.495 40 0 EEABRN Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)[C@H](C)[C@@H]3C)c2n1 ZINC000096420854 463252024 /nfs/dbraw/zinc/25/20/24/463252024.db2.gz HOLDLECIQQGMGK-QWHCGFSZSA-N 0 0 332.425 2.191 40 0 EEABRN Cc1ccc(-n2cc(S(=O)(=O)NCc3ncccc3C)cn2)cc1 ZINC000096421233 463253170 /nfs/dbraw/zinc/25/31/70/463253170.db2.gz SHMRAVZEZWHMJU-UHFFFAOYSA-N 0 0 342.424 2.363 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)Nc2ccccc2N2CCCC2)cn1 ZINC000096421833 463253257 /nfs/dbraw/zinc/25/32/57/463253257.db2.gz WDPPATCVBRIHMC-SFHVURJKSA-N 0 0 343.431 2.050 40 0 EEABRN C[C@@H](CCc1cccn1C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425745 463254888 /nfs/dbraw/zinc/25/48/88/463254888.db2.gz SETKHLHOFOHGRQ-GOEBONIOSA-N 0 0 331.460 2.111 40 0 EEABRN COc1cc(CNC(=O)CCn2ccccc2=O)c2ccccc2n1 ZINC000096425944 463255364 /nfs/dbraw/zinc/25/53/64/463255364.db2.gz ULVKVXDNRDGDRU-UHFFFAOYSA-N 0 0 337.379 2.112 40 0 EEABRN Cc1ccc(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)n1C ZINC000096426141 463255922 /nfs/dbraw/zinc/25/59/22/463255922.db2.gz CZTAUTZFSYVRFR-SFHVURJKSA-N 0 0 345.418 2.162 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N[C@H](C)COc2ccccc2F)cn1 ZINC000096427788 463257235 /nfs/dbraw/zinc/25/72/35/463257235.db2.gz GNXMZLZGRAWYKH-GFCCVEGCSA-N 0 0 341.408 2.349 40 0 EEABRN O=C(NC[C@H](O)C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000096436963 463264627 /nfs/dbraw/zinc/26/46/27/463264627.db2.gz TXYBUYFRTPLWDF-ZDUSSCGKSA-N 0 0 346.196 2.106 40 0 EEABRN O=S(=O)(NCc1ccccn1)c1ccc(F)c(Br)c1 ZINC000096436410 463265101 /nfs/dbraw/zinc/26/51/01/463265101.db2.gz SURABNLUGASFHP-UHFFFAOYSA-N 0 0 345.193 2.462 40 0 EEABRN NC(=O)N1CCC[C@H]1COC(=O)c1ccc(F)c(Br)c1 ZINC000096442151 463268556 /nfs/dbraw/zinc/26/85/56/463268556.db2.gz ZKXTXVPJOMWVLY-VIFPVBQESA-N 0 0 345.168 2.288 40 0 EEABRN CC(=O)N1CCC(C(=O)OC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000096442386 463268813 /nfs/dbraw/zinc/26/88/13/463268813.db2.gz YITVYGNSOJRURZ-INIZCTEOSA-N 0 0 330.428 2.315 40 0 EEABRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000096447854 463270573 /nfs/dbraw/zinc/27/05/73/463270573.db2.gz SVSNFHCNGJWXEY-UKRRQHHQSA-N 0 0 344.459 2.469 40 0 EEABRN Cc1cc(NC(=O)CN(C)Cc2nc3c(s2)CCCC3)n(C)n1 ZINC000096447119 463270596 /nfs/dbraw/zinc/27/05/96/463270596.db2.gz VIHMVNSJAJBGBE-UHFFFAOYSA-N 0 0 333.461 2.134 40 0 EEABRN CS[C@H](C)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000096445591 463270669 /nfs/dbraw/zinc/27/06/69/463270669.db2.gz HTKCYHPZOHKAET-CQSZACIVSA-N 0 0 334.485 2.335 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H]1CCCN1C(C)=O ZINC000136993294 463271494 /nfs/dbraw/zinc/27/14/94/463271494.db2.gz MVNWRVRYXYDLHP-CRAIPNDOSA-N 0 0 330.428 2.242 40 0 EEABRN CC[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)Oc1ccccc1Cl ZINC000096451818 463273014 /nfs/dbraw/zinc/27/30/14/463273014.db2.gz JWSLDBZMPGYDHH-CHWSQXEVSA-N 0 0 338.835 2.482 40 0 EEABRN O=C(Nc1ccccc1N1CCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000096452174 463273076 /nfs/dbraw/zinc/27/30/76/463273076.db2.gz ZQQNKQPARXRFHS-CYBMUJFWSA-N 0 0 328.416 2.172 40 0 EEABRN Cc1cc(S(=O)(=O)N(C)Cc2cnccn2)c(Cl)cc1F ZINC000096472653 463278564 /nfs/dbraw/zinc/27/85/64/463278564.db2.gz RTKDCMRCQQFJGE-UHFFFAOYSA-N 0 0 329.784 2.398 40 0 EEABRN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000096473771 463279115 /nfs/dbraw/zinc/27/91/15/463279115.db2.gz MMBALNXROBWSEG-PHIMTYICSA-N 0 0 334.811 2.127 40 0 EEABRN CCC[C@H]1CN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CCO1 ZINC000096485440 463283451 /nfs/dbraw/zinc/28/34/51/463283451.db2.gz FKMOWNCJCQQRJA-IRXDYDNUSA-N 0 0 343.431 2.230 40 0 EEABRN Cn1cc(C(=O)C[C@@H]2CCCN2CC(=O)Nc2ccccc2F)cn1 ZINC000096485963 463284126 /nfs/dbraw/zinc/28/41/26/463284126.db2.gz NIWIEQTWIFFQJA-AWEZNQCLSA-N 0 0 344.390 2.235 40 0 EEABRN CC(C)[C@H](C(=O)Nc1cc(F)ccc1Cl)N1CCCS1(=O)=O ZINC000096489137 463284719 /nfs/dbraw/zinc/28/47/19/463284719.db2.gz LHQALSWAMKBNPI-CYBMUJFWSA-N 0 0 348.827 2.478 40 0 EEABRN CC1CCN(C(=O)CN[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000096490966 463286546 /nfs/dbraw/zinc/28/65/46/463286546.db2.gz CJHLHJCXPBRJBC-SFHVURJKSA-N 0 0 343.471 2.198 40 0 EEABRN O=C(N[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1)N1CC[C@H](CO)C1 ZINC000096499841 463290694 /nfs/dbraw/zinc/29/06/94/463290694.db2.gz MSVJEQQYPTVHQS-JGGQBBKZSA-N 0 0 338.835 2.441 40 0 EEABRN Cc1ccc([C@H](O)[C@](Cl)(Br)S(C)(=O)=O)cc1 ZINC000096519746 463294041 /nfs/dbraw/zinc/29/40/41/463294041.db2.gz DQQCBBDOKAKARM-VHSXEESVSA-N 0 0 327.627 2.361 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2cc(F)ccc2OCC2CC2)on1 ZINC000097105677 463325992 /nfs/dbraw/zinc/32/59/92/463325992.db2.gz GQZGIGJRCOXXRI-UHFFFAOYSA-N 0 0 340.376 2.389 40 0 EEABRN CN(C)S(=O)(=O)CC(=O)N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000097372333 463355253 /nfs/dbraw/zinc/35/52/53/463355253.db2.gz JVOIIESJRJQJCH-UHFFFAOYSA-N 0 0 346.452 2.203 40 0 EEABRN COc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c(C)nn1C ZINC000097377856 463357064 /nfs/dbraw/zinc/35/70/64/463357064.db2.gz CMBMDGQTUJHCNH-SWLSCSKDSA-N 0 0 332.379 2.232 40 0 EEABRN COc1ccccc1OCCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000144641498 463378248 /nfs/dbraw/zinc/37/82/48/463378248.db2.gz QGYHAAIOBDFILN-GOSISDBHSA-N 0 0 328.412 2.493 40 0 EEABRN CCS(=O)(=O)NCC1CCN(c2nc3ccccc3s2)CC1 ZINC000070923493 463393783 /nfs/dbraw/zinc/39/37/83/463393783.db2.gz QPWUCTZLBNDMSX-UHFFFAOYSA-N 0 0 339.486 2.452 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 ZINC000033792860 463425800 /nfs/dbraw/zinc/42/58/00/463425800.db2.gz DDSXHXYNCUSNHG-UHFFFAOYSA-N 0 0 338.824 2.253 40 0 EEABRN NC(=O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000041126495 463468879 /nfs/dbraw/zinc/46/88/79/463468879.db2.gz UOEJMMHUNKODCV-UHFFFAOYSA-N 0 0 332.743 2.462 40 0 EEABRN Cn1cc(CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)cn1 ZINC000057280462 463474538 /nfs/dbraw/zinc/47/45/38/463474538.db2.gz ZLUBLIWPOCBUIV-UHFFFAOYSA-N 0 0 326.400 2.245 40 0 EEABRN COc1ccc(C[C@]2(c3ccc(Cl)cc3)NC(N)=NC2=O)cc1 ZINC000071975873 463480037 /nfs/dbraw/zinc/48/00/37/463480037.db2.gz YJPAYSKTSAXFDT-QGZVFWFLSA-N 0 0 329.787 2.231 40 0 EEABRN Cc1c(CN2CCO[C@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379702 463509515 /nfs/dbraw/zinc/50/95/15/463509515.db2.gz PYXVJMMRZYNBKN-SFHVURJKSA-N 0 0 333.407 2.295 40 0 EEABRN CCN1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000042200173 463550990 /nfs/dbraw/zinc/55/09/90/463550990.db2.gz MOJYVBUHKDBMEI-UHFFFAOYSA-N 0 0 344.196 2.069 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccco1)c1ccco1 ZINC000107747477 463581338 /nfs/dbraw/zinc/58/13/38/463581338.db2.gz MISXUPRCZWPXAB-JLJPHGGASA-N 0 0 330.384 2.282 40 0 EEABRN O=C(NCCc1ccccn1)C(=O)Nc1ccccc1Br ZINC000042645754 463582819 /nfs/dbraw/zinc/58/28/19/463582819.db2.gz IMSZVZREICCWBL-UHFFFAOYSA-N 0 0 348.200 2.142 40 0 EEABRN CN(C(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000085294864 463644470 /nfs/dbraw/zinc/64/44/70/463644470.db2.gz SUPLSGFFDVXDHK-VXGBXAGGSA-N 0 0 335.347 2.142 40 0 EEABRN CCCCOCCCNC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000043937288 463662584 /nfs/dbraw/zinc/66/25/84/463662584.db2.gz SQCPRHNNEPWZBX-UHFFFAOYSA-N 0 0 332.408 2.205 40 0 EEABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCOCC1 ZINC000044899675 463700541 /nfs/dbraw/zinc/70/05/41/463700541.db2.gz OELWKRHBWBLIBP-IBGZPJMESA-N 0 0 342.439 2.446 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3ccncc3)C2)n1 ZINC000257228786 463756776 /nfs/dbraw/zinc/75/67/76/463756776.db2.gz FVFHCEKSEJMEPO-KRWDZBQOSA-N 0 0 328.416 2.275 40 0 EEABRN CCCc1ncc(CN2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000257289123 463763613 /nfs/dbraw/zinc/76/36/13/463763613.db2.gz PXBDAPKRVWIWKB-IBGZPJMESA-N 0 0 346.475 2.079 40 0 EEABRN COCC(=O)N1CCC2(C[C@@H](N(C)c3ccc(F)cc3)CO2)CC1 ZINC000257295308 463765715 /nfs/dbraw/zinc/76/57/15/463765715.db2.gz QXUXJPBEKBGBPV-MRXNPFEDSA-N 0 0 336.407 2.058 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1 ZINC000257303228 463769098 /nfs/dbraw/zinc/76/90/98/463769098.db2.gz SGGVIUJVLUYKRY-HNNXBMFYSA-N 0 0 343.431 2.182 40 0 EEABRN Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)s1 ZINC000257314352 463773246 /nfs/dbraw/zinc/77/32/46/463773246.db2.gz UWOZGUZROVLICJ-IIDMSEBBSA-N 0 0 346.452 2.390 40 0 EEABRN Cc1cc2cc(C(=O)N3CCO[C@H](c4nccnc4N)C3)ccc2o1 ZINC000257320108 463776413 /nfs/dbraw/zinc/77/64/13/463776413.db2.gz VVKSNIMBXIRJEI-HNNXBMFYSA-N 0 0 338.367 2.327 40 0 EEABRN O=C(c1cncs1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257319944 463776827 /nfs/dbraw/zinc/77/68/27/463776827.db2.gz VUSABXOREFNZFN-LLVKDONJSA-N 0 0 329.385 2.259 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257322414 463777700 /nfs/dbraw/zinc/77/77/00/463777700.db2.gz WFWSWYSKTFDGMO-KRWDZBQOSA-N 0 0 329.375 2.457 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)nc(C)n1 ZINC000257334402 463783014 /nfs/dbraw/zinc/78/30/14/463783014.db2.gz YFSUVNGZXOTFNI-HNNXBMFYSA-N 0 0 337.387 2.075 40 0 EEABRN CC(=O)N[C@H]1CC[C@](CNC(=O)C(C)C)(c2ccccc2)CC[C@@H]1O ZINC000257335376 463783187 /nfs/dbraw/zinc/78/31/87/463783187.db2.gz YJWZVFUMGDLRFE-BJLQDIEVSA-N 0 0 346.471 2.136 40 0 EEABRN COc1ccc(C(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)cn1 ZINC000257336715 463784499 /nfs/dbraw/zinc/78/44/99/463784499.db2.gz YPRZEQBAMJPAQG-OAHLLOKOSA-N 0 0 326.400 2.192 40 0 EEABRN Cn1ccnc1-c1cc(CC2CCN(C(=O)C3CCC3)CC2)ncn1 ZINC000257339061 463784687 /nfs/dbraw/zinc/78/46/87/463784687.db2.gz ZAAZMAGVBMJKIW-UHFFFAOYSA-N 0 0 339.443 2.458 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)ccn1 ZINC000257339449 463786523 /nfs/dbraw/zinc/78/65/23/463786523.db2.gz ZBULUVXCKPFOGB-OAHLLOKOSA-N 0 0 336.399 2.232 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(CCCOc3ccccc3F)CCO2)n1 ZINC000257343557 463787750 /nfs/dbraw/zinc/78/77/50/463787750.db2.gz ZTMBQCMDZOZAPV-MRXNPFEDSA-N 0 0 347.390 2.472 40 0 EEABRN Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000260723335 463792104 /nfs/dbraw/zinc/79/21/04/463792104.db2.gz XTRFYDKKJQXXEO-GXTWGEPZSA-N 0 0 349.504 2.487 40 0 EEABRN CSC1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCC1 ZINC000278864156 464002599 /nfs/dbraw/zinc/00/25/99/464002599.db2.gz RHKMZNRVUMXYSB-UHFFFAOYSA-N 0 0 329.443 2.022 40 0 EEABRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)CCc1nc2ccccc2[nH]1 ZINC000288222342 464036175 /nfs/dbraw/zinc/03/61/75/464036175.db2.gz CXCMGRPIVNSDGI-YJBRQLBASA-N 0 0 325.412 2.377 40 0 EEABRN C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C ZINC000195530554 464071724 /nfs/dbraw/zinc/07/17/24/464071724.db2.gz ZSZZLKGGTYAELQ-LHLDAVEDSA-N 0 0 330.494 2.133 40 0 EEABRN C[C@H](C1CC1)N(C(=O)NCc1ccnc(N2CCOCC2)c1)C1CC1 ZINC000195531969 464073617 /nfs/dbraw/zinc/07/36/17/464073617.db2.gz QIEZIDGALPQIIR-CQSZACIVSA-N 0 0 344.459 2.391 40 0 EEABRN C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000195546924 464074862 /nfs/dbraw/zinc/07/48/62/464074862.db2.gz VNNWVKPUVLPSAK-FZZIBODNSA-N 0 0 330.787 2.379 40 0 EEABRN CN(C(=O)C(=O)Nc1ccnn1C)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195574283 464080272 /nfs/dbraw/zinc/08/02/72/464080272.db2.gz HQPLJJDGXKXIIT-CVEARBPZSA-N 0 0 340.427 2.228 40 0 EEABRN COC(=O)c1cn(S(=O)(=O)c2c(C)noc2C)c2ccccc12 ZINC000222648032 464131371 /nfs/dbraw/zinc/13/13/71/464131371.db2.gz HOEBWJFCMPOPOX-UHFFFAOYSA-N 0 0 334.353 2.270 40 0 EEABRN Cc1ccc(CN(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000223461273 464144165 /nfs/dbraw/zinc/14/41/65/464144165.db2.gz JTOCKFZRGYZGTD-UHFFFAOYSA-N 0 0 338.473 2.015 40 0 EEABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223573297 464144249 /nfs/dbraw/zinc/14/42/49/464144249.db2.gz FVAAYEQHPWALSB-IRXDYDNUSA-N 0 0 344.484 2.485 40 0 EEABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC000223776064 464146549 /nfs/dbraw/zinc/14/65/49/464146549.db2.gz YJEAZVJJZKVDJL-WOSRLPQWSA-N 0 0 348.468 2.453 40 0 EEABRN CN([C@@H](C(=O)NC1CCCCCC1)c1ccccc1)S(C)(=O)=O ZINC000224292479 464150079 /nfs/dbraw/zinc/15/00/79/464150079.db2.gz MSUIYBVBJCPGAU-MRXNPFEDSA-N 0 0 338.473 2.458 40 0 EEABRN CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000224939125 464152805 /nfs/dbraw/zinc/15/28/05/464152805.db2.gz GCDPOMHASXDTCJ-UHFFFAOYSA-N 0 0 346.427 2.245 40 0 EEABRN Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224907108 464153330 /nfs/dbraw/zinc/15/33/30/464153330.db2.gz BBZNSPOUSBHKCT-QGZVFWFLSA-N 0 0 346.452 2.244 40 0 EEABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2=CCCCC2)cc1 ZINC000225089508 464153370 /nfs/dbraw/zinc/15/33/70/464153370.db2.gz MGAPIGHGMLXKCR-UHFFFAOYSA-N 0 0 348.424 2.119 40 0 EEABRN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000225507879 464166649 /nfs/dbraw/zinc/16/66/49/464166649.db2.gz UMNZGGYFMUYMOO-CYBMUJFWSA-N 0 0 341.411 2.117 40 0 EEABRN O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C(F)(F)F ZINC000225587171 464173502 /nfs/dbraw/zinc/17/35/02/464173502.db2.gz YSTPTXXQMKJOAP-UHFFFAOYSA-N 0 0 332.322 2.289 40 0 EEABRN C[C@H](NC(=O)CCCC1CCOCC1)c1nnnn1-c1ccccc1 ZINC000225582804 464173668 /nfs/dbraw/zinc/17/36/68/464173668.db2.gz SZYHPEVTVXQRPK-AWEZNQCLSA-N 0 0 343.431 2.436 40 0 EEABRN O=C(c1cccnc1C(F)(F)F)N1CCC(Cn2ccnn2)CC1 ZINC000188426600 464277842 /nfs/dbraw/zinc/27/78/42/464277842.db2.gz PZTWDAIEHXSVOF-UHFFFAOYSA-N 0 0 339.321 2.244 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000238848441 464439213 /nfs/dbraw/zinc/43/92/13/464439213.db2.gz IWQUUXBDEYFYOP-HUUCEWRRSA-N 0 0 342.399 2.415 40 0 EEABRN O=C(c1cc2ccccc2s1)N1CCC(N2C(=O)CNC2=O)CC1 ZINC000240122522 464445658 /nfs/dbraw/zinc/44/56/58/464445658.db2.gz WBLXEMRGLLXULE-UHFFFAOYSA-N 0 0 343.408 2.058 40 0 EEABRN CCc1cc(N2CCN(S(C)(=O)=O)c3ccccc3C2)nc(C)n1 ZINC000240471660 464446954 /nfs/dbraw/zinc/44/69/54/464446954.db2.gz GDOSTUZMJHHUAB-UHFFFAOYSA-N 0 0 346.456 2.134 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CO)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000242554667 464457244 /nfs/dbraw/zinc/45/72/44/464457244.db2.gz MSIWLWCTKVVSOR-BMGDILEWSA-N 0 0 346.404 2.272 40 0 EEABRN Cc1nnc(NC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)s1 ZINC000244983736 464466490 /nfs/dbraw/zinc/46/64/90/464466490.db2.gz IPBCETKXXNIUNZ-SECBINFHSA-N 0 0 340.792 2.315 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000245339498 464470517 /nfs/dbraw/zinc/47/05/17/464470517.db2.gz TZWMGUBMHUPJIM-JJXSEGSLSA-N 0 0 339.432 2.401 40 0 EEABRN C[S@](=O)C[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccccc1 ZINC000245339041 464471229 /nfs/dbraw/zinc/47/12/29/464471229.db2.gz QEFCSNYMFSORPO-KXNSMUHISA-N 0 0 329.421 2.399 40 0 EEABRN Fc1cccnc1O[C@@H]1CCOC2(CN(Cc3ccccn3)C2)C1 ZINC000247557202 464694357 /nfs/dbraw/zinc/69/43/57/464694357.db2.gz XQQAPKLMUDYAIX-OAHLLOKOSA-N 0 0 329.375 2.428 40 0 EEABRN CC[C@]1(C)CN(C(=O)NCCc2nnc(-c3ccccc3)o2)CCO1 ZINC000190758192 464716045 /nfs/dbraw/zinc/71/60/45/464716045.db2.gz JLUZVIDBHIUDOJ-GOSISDBHSA-N 0 0 344.415 2.490 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247983530 464720965 /nfs/dbraw/zinc/72/09/65/464720965.db2.gz HXZRBSVPASAOJW-GOSISDBHSA-N 0 0 337.427 2.446 40 0 EEABRN CC[C@H](CCO)NC(=O)Cc1ccc(I)cc1 ZINC000190982689 464756569 /nfs/dbraw/zinc/75/65/69/464756569.db2.gz YCCAQXDSYPJRCJ-GFCCVEGCSA-N 0 0 347.196 2.111 40 0 EEABRN COc1cc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)on1 ZINC000191957188 464834415 /nfs/dbraw/zinc/83/44/15/464834415.db2.gz IJMYWXFKZDWCMS-SECBINFHSA-N 0 0 335.326 2.076 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2cc3ccccc3o2)CCS(=O)(=O)C1 ZINC000192155080 464877123 /nfs/dbraw/zinc/87/71/23/464877123.db2.gz DHPIGKMEEIJBGF-GFCCVEGCSA-N 0 0 336.413 2.009 40 0 EEABRN CCOC(=O)c1ccc2c(c1)N(C(=O)Cc1cc(C)on1)CCO2 ZINC000192361898 464913415 /nfs/dbraw/zinc/91/34/15/464913415.db2.gz DHTTZLYWENQYPD-UHFFFAOYSA-N 0 0 330.340 2.128 40 0 EEABRN Cn1nccc1CCN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000252478495 464958741 /nfs/dbraw/zinc/95/87/41/464958741.db2.gz ANVFICZFYSAHAR-UHFFFAOYSA-N 0 0 348.453 2.315 40 0 EEABRN COc1cc(N2CCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)ccc1F ZINC000252490475 464966931 /nfs/dbraw/zinc/96/69/31/464966931.db2.gz KUPYAVFMQHYSRT-LBPRGKRZSA-N 0 0 347.394 2.150 40 0 EEABRN Cc1ccc(CC[C@@H](C)NC(=O)N[C@H]2CCC(=O)NC23CCC3)o1 ZINC000252491264 464966950 /nfs/dbraw/zinc/96/69/50/464966950.db2.gz LKBILXMKIFNXQD-DOMZBBRYSA-N 0 0 333.432 2.410 40 0 EEABRN C[C@H]1CN(C(=O)NCC2CCC(F)(F)CC2)C[C@@]2(CCOC2)O1 ZINC000253397740 465000316 /nfs/dbraw/zinc/00/03/16/465000316.db2.gz SUWXFCOMCVYMKD-SWLSCSKDSA-N 0 0 332.391 2.401 40 0 EEABRN O=C(CCc1cnccn1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000253428160 465012528 /nfs/dbraw/zinc/01/25/28/465012528.db2.gz HKWHZQLOBCTNEB-HNNXBMFYSA-N 0 0 328.391 2.334 40 0 EEABRN COc1nccc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1 ZINC000253429814 465013553 /nfs/dbraw/zinc/01/35/53/465013553.db2.gz UPQOIOVXWQQLNA-TZMCWYRMSA-N 0 0 328.372 2.479 40 0 EEABRN C[C@H](C(=O)N1CCC(Cc2ncc[nH]2)CC1)N(C)CC(F)(F)F ZINC000330612117 465732412 /nfs/dbraw/zinc/73/24/12/465732412.db2.gz PVEJTPLOHQMWTM-LLVKDONJSA-N 0 0 332.370 2.073 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000306130107 466488595 /nfs/dbraw/zinc/48/85/95/466488595.db2.gz IWINDTRVBUMBDN-INMHGKMJSA-N 0 0 330.428 2.262 40 0 EEABRN COCCCNC(=O)[C@@H]1CCc2[nH]nc(-c3ccc(OC)cc3)c2C1 ZINC000306131049 466488640 /nfs/dbraw/zinc/48/86/40/466488640.db2.gz JVHYUWMYJTUDTQ-CQSZACIVSA-N 0 0 343.427 2.343 40 0 EEABRN O=C(C1=CCCC1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 ZINC000306138447 466494564 /nfs/dbraw/zinc/49/45/64/466494564.db2.gz RXRRHSKMPPJWFO-SZMVWBNQSA-N 0 0 328.412 2.434 40 0 EEABRN O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)N(CCO)CCO ZINC000408734307 466683146 /nfs/dbraw/zinc/68/31/46/466683146.db2.gz MOZXIBZLNMPEPF-QGZVFWFLSA-N 0 0 348.830 2.306 40 0 EEABRN CCc1nnc([C@@H](C)N2CCN(C(=O)NC3CCCCC3)CC2)o1 ZINC000390835466 467415027 /nfs/dbraw/zinc/41/50/27/467415027.db2.gz OMNSAGCAPUDCLI-CYBMUJFWSA-N 0 0 335.452 2.353 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@@H](OCc1csc(C)n1)CS2 ZINC000575403498 468140997 /nfs/dbraw/zinc/14/09/97/468140997.db2.gz MDKVTEMIRZNGAC-GFCCVEGCSA-N 0 0 344.527 2.418 40 0 EEABRN Cc1cncc(OCC[C@@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000575403670 468141743 /nfs/dbraw/zinc/14/17/43/468141743.db2.gz JAGISKZDNIITKQ-MRXNPFEDSA-N 0 0 345.443 2.362 40 0 EEABRN COc1nc(CNC(=O)c2ccccc2Cl)nc(N2CCCC2)n1 ZINC000575604042 468145438 /nfs/dbraw/zinc/14/54/38/468145438.db2.gz PCLFWWUNWJCHSJ-UHFFFAOYSA-N 0 0 347.806 2.064 40 0 EEABRN Cc1nc2ccccn2c1C(=O)NCc1ccnc(N2CCCC2=O)c1 ZINC000575608438 468146975 /nfs/dbraw/zinc/14/69/75/468146975.db2.gz NMIRIFORQBCXPA-UHFFFAOYSA-N 0 0 349.394 2.095 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000585091929 468962513 /nfs/dbraw/zinc/96/25/13/468962513.db2.gz LKLNBZUVKJHCSL-CQSZACIVSA-N 0 0 340.376 2.193 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 ZINC000585095720 468964127 /nfs/dbraw/zinc/96/41/27/468964127.db2.gz FVJYBTPTVKUDGF-INIZCTEOSA-N 0 0 348.447 2.147 40 0 EEABRN Cc1cc(CN2CCn3c(CCOCC4CC4)cnc3[C@H]2C)n(C)n1 ZINC000585097719 468965082 /nfs/dbraw/zinc/96/50/82/468965082.db2.gz NEBVPJUGJPHZIH-OAHLLOKOSA-N 0 0 343.475 2.471 40 0 EEABRN CCOCCc1cnc2n1CCN(C(=O)c1cccnc1OC)[C@@H]2C ZINC000585097880 468965557 /nfs/dbraw/zinc/96/55/57/468965557.db2.gz OOWAVGQNLFGXOG-CYBMUJFWSA-N 0 0 344.415 2.083 40 0 EEABRN CC(C)C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C ZINC000585097712 468965865 /nfs/dbraw/zinc/96/58/65/468965865.db2.gz NDGGJEXVCRUPEL-CYBMUJFWSA-N 0 0 332.448 2.044 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(CCN3Cc3c(C)noc3C)C2)no1 ZINC000585101916 468970867 /nfs/dbraw/zinc/97/08/67/468970867.db2.gz LKBAUPGBTPNRIE-SFHVURJKSA-N 0 0 344.415 2.469 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000585110770 468973912 /nfs/dbraw/zinc/97/39/12/468973912.db2.gz DDFOYNHNBXGPLW-OAHLLOKOSA-N 0 0 330.407 2.183 40 0 EEABRN CO[C@@H]1CCN(CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000585266366 468995794 /nfs/dbraw/zinc/99/57/94/468995794.db2.gz SWAVHZQTCAJZEG-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2ncccn2)C1 ZINC000585275310 468998561 /nfs/dbraw/zinc/99/85/61/468998561.db2.gz AIKZQXNUUAPUNS-GOSISDBHSA-N 0 0 327.384 2.095 40 0 EEABRN Cc1ccn(CCC(=O)N2CC[C@@H](O)[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000585273600 468999367 /nfs/dbraw/zinc/99/93/67/468999367.db2.gz XDIJTULPWFIXNE-SJLPKXTDSA-N 0 0 345.418 2.173 40 0 EEABRN O=C(c1ccccc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585277449 469001572 /nfs/dbraw/zinc/00/15/72/469001572.db2.gz WTFCXIXNZQGCCS-LJQANCHMSA-N 0 0 329.371 2.272 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cc3ccncc3)C2)cc1 ZINC000585277051 469002249 /nfs/dbraw/zinc/00/22/49/469002249.db2.gz LEDPSNMRRLJARO-FQEVSTJZSA-N 0 0 340.423 2.365 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)c(=O)[nH]1 ZINC000585276905 469002494 /nfs/dbraw/zinc/00/24/94/469002494.db2.gz PXMKWTDDLIYGIL-IRXDYDNUSA-N 0 0 326.396 2.304 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585279254 469004719 /nfs/dbraw/zinc/00/47/19/469004719.db2.gz YKMOYNWFECBRSA-LJQANCHMSA-N 0 0 344.386 2.460 40 0 EEABRN Cc1nocc1C(=O)N1CCC[C@](O)(COc2cccc(C)c2)C1 ZINC000585278602 469004909 /nfs/dbraw/zinc/00/49/09/469004909.db2.gz UNPOCMXHQWOCMW-GOSISDBHSA-N 0 0 330.384 2.338 40 0 EEABRN CN(C)c1nccc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)n1 ZINC000607058893 469665565 /nfs/dbraw/zinc/66/55/65/469665565.db2.gz KUHZHUJSOWWFIP-UHFFFAOYSA-N 0 0 338.415 2.439 40 0 EEABRN CC1(C)C[C@@]1(NC(=O)NCc1nc2ncccn2n1)c1ccccc1 ZINC000665142767 471954704 /nfs/dbraw/zinc/95/47/04/471954704.db2.gz MKYNVXQSUXSLBF-GOSISDBHSA-N 0 0 336.399 2.249 40 0 EEABRN Cn1cccc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)c1=O ZINC000390825963 485668325 /nfs/dbraw/zinc/66/83/25/485668325.db2.gz ULBQCCKUXDCJJZ-UHFFFAOYSA-N 0 0 347.802 2.117 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000189639477 534120301 /nfs/dbraw/zinc/12/03/01/534120301.db2.gz ZRJIEFAXYHCWQH-SECBINFHSA-N 0 0 336.383 2.476 40 0 EEABRN CC(=O)N[C@@H]1CCCN(C(=O)CNc2c(F)cccc2Cl)C1 ZINC000193104926 534574799 /nfs/dbraw/zinc/57/47/99/534574799.db2.gz VTMFYMPTEWHODQ-LLVKDONJSA-N 0 0 327.787 2.018 40 0 EEABRN CC[C@H](NC(=O)N1CCN(C)C(=O)C1)c1ccccc1OC(F)F ZINC000153548452 522425866 /nfs/dbraw/zinc/42/58/66/522425866.db2.gz YDJXXOWYOYCSKT-LBPRGKRZSA-N 0 0 341.358 2.223 40 0 EEABRN CN(Cc1ccc(Br)s1)C(=O)CN1CCCCC1=O ZINC000097219515 523201575 /nfs/dbraw/zinc/20/15/75/523201575.db2.gz RAGKOLWJSQRZAY-UHFFFAOYSA-N 0 0 345.262 2.482 40 0 EEABRN CC(C)CC(=O)NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 ZINC000248227735 535379089 /nfs/dbraw/zinc/37/90/89/535379089.db2.gz JUAZBJHDHCITHG-KRWDZBQOSA-N 0 0 341.459 2.387 40 0 EEABRN CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000225769115 535786956 /nfs/dbraw/zinc/78/69/56/535786956.db2.gz WVNHOZJLTUTSDU-KAMYIIQDSA-N 0 0 344.367 2.204 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)no1 ZINC000257226187 536108825 /nfs/dbraw/zinc/10/88/25/536108825.db2.gz FJMPARFMQWDJEO-QGZVFWFLSA-N 0 0 327.384 2.283 40 0 EEABRN COc1cc(C)c(S(=O)(=O)NCc2ccnn2C)cc1C(C)C ZINC000193779154 536612309 /nfs/dbraw/zinc/61/23/09/536612309.db2.gz AIEGWJPRLSTLJT-UHFFFAOYSA-N 0 0 337.445 2.339 40 0 EEABRN COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1OC ZINC000225925482 536755062 /nfs/dbraw/zinc/75/50/62/536755062.db2.gz GHQKSGPHJFSGLL-UHFFFAOYSA-N 0 0 332.400 2.291 40 0 EEABRN COCCNC(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225782283 536892575 /nfs/dbraw/zinc/89/25/75/536892575.db2.gz PTEHYMOEHUEFDV-UHFFFAOYSA-N 0 0 342.218 2.344 40 0 EEABRN COc1ncccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257214603 537152422 /nfs/dbraw/zinc/15/24/22/537152422.db2.gz CMPLEICJGZNRQG-LPHOPBHVSA-N 0 0 342.395 2.135 40 0 EEABRN C[C@@H](CNc1ccccc1)NC(=O)c1coc2c1C(=O)NCCC2 ZINC000896420106 684977817 /nfs/dbraw/zinc/97/78/17/684977817.db2.gz VFWDOYDZKBRQBT-LBPRGKRZSA-N 0 0 327.384 2.186 40 0 EEABRN O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@@H]1c1ccco1 ZINC000095116062 1357763308 /nfs/dbraw/zinc/76/33/08/1357763308.db2.gz QJNBJEDPNARARZ-OAHLLOKOSA-N 0 0 345.424 2.351 40 0 EEABRN Cc1cc(NC(=O)N2CC3(C2)CC(=O)N(CC2CC2)O3)ccc1F ZINC001549162946 1121134044 /nfs/dbraw/zinc/13/40/44/1121134044.db2.gz XBNXTYVDNZZIDS-UHFFFAOYSA-N 0 0 333.363 2.294 40 0 EEABRN CC[C@@]1(C)CN(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CCO1 ZINC000188195768 529531036 /nfs/dbraw/zinc/53/10/36/529531036.db2.gz FQACJWHWIKHJFE-GUYCJALGSA-N 0 0 335.452 2.447 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1 ZINC000004388691 210186663 /nfs/dbraw/zinc/18/66/63/210186663.db2.gz KVJJNXAKYKECKE-UHFFFAOYSA-N 0 0 338.473 2.320 40 0 EEABRN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(CC)cc4)C(=O)[C@@H]13)O2 ZINC000004124746 210127979 /nfs/dbraw/zinc/12/79/79/210127979.db2.gz MKUCCCRVUNKAPY-YYAJDYIMSA-N 0 0 327.380 2.099 40 0 EEABRN CCCCOc1ccc(-c2nnn(CC(=O)N(CC)CC)n2)cc1 ZINC000004130073 210127367 /nfs/dbraw/zinc/12/73/67/210127367.db2.gz GWKNSIKXAOCRNT-UHFFFAOYSA-N 0 0 331.420 2.387 40 0 EEABRN COC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000102811992 219231797 /nfs/dbraw/zinc/23/17/97/219231797.db2.gz YRJKFBGFNIASNU-BPNCWPANSA-N 0 0 334.368 2.255 40 0 EEABRN COc1ccc(CNC(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)cc1 ZINC000040778691 213385603 /nfs/dbraw/zinc/38/56/03/213385603.db2.gz JBKOORPVVLFUAK-IBGZPJMESA-N 0 0 340.379 2.410 40 0 EEABRN C[C@]1(C(=O)NCCc2ccc(F)cc2)Oc2ccccc2NC1=O ZINC000040776436 213384119 /nfs/dbraw/zinc/38/41/19/213384119.db2.gz AJKUUOXDGUXSMH-GOSISDBHSA-N 0 0 328.343 2.274 40 0 EEABRN Cc1cc(NC(=O)CCN2CCO[C@H](Cc3ccccc3)C2)no1 ZINC000181526519 234217959 /nfs/dbraw/zinc/21/79/59/234217959.db2.gz REXCUDFFDOEQHQ-MRXNPFEDSA-N 0 0 329.400 2.255 40 0 EEABRN Cc1nn2c(nnc3c2ccn(C(C)(C)CO)c3=O)c1-c1ccccc1 ZINC000040390882 213296424 /nfs/dbraw/zinc/29/64/24/213296424.db2.gz BFSWWPXKUBIPDB-UHFFFAOYSA-N 0 0 349.394 2.142 40 0 EEABRN O=C1NC2(CCCCCCC2)C(=O)N1C[C@@H](O)COc1ccccc1 ZINC000039985685 213249108 /nfs/dbraw/zinc/24/91/08/213249108.db2.gz GAVBTRFYLCWQLJ-OAHLLOKOSA-N 0 0 346.427 2.461 40 0 EEABRN CCS(=O)(=O)CCN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187860181 236319140 /nfs/dbraw/zinc/31/91/40/236319140.db2.gz DXKLODDQWXWDIJ-AWEZNQCLSA-N 0 0 335.828 2.287 40 0 EEABRN CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 ZINC000035426202 213027004 /nfs/dbraw/zinc/02/70/04/213027004.db2.gz BFHSHAQGBIHNQG-LBPRGKRZSA-N 0 0 325.376 2.234 40 0 biogenic,in-vitro EEABRN CCc1noc(CN(C)C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000096446781 237057154 /nfs/dbraw/zinc/05/71/54/237057154.db2.gz BHDKEUCGMZOBNE-OAHLLOKOSA-N 0 0 346.406 2.394 40 0 EEABRN COc1cccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)c1 ZINC000072239583 216078382 /nfs/dbraw/zinc/07/83/82/216078382.db2.gz UBVSNEQKGPVSEE-INIZCTEOSA-N 0 0 328.368 2.096 40 0 EEABRN CC(C)Oc1cc(C(=O)NCCN2CCOCC2)cc2occc21 ZINC000072240188 216079443 /nfs/dbraw/zinc/07/94/43/216079443.db2.gz NUPYWTDRELEMED-UHFFFAOYSA-N 0 0 332.400 2.282 40 0 EEABRN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072243321 216082131 /nfs/dbraw/zinc/08/21/31/216082131.db2.gz OLMAGKSKMYTIGB-INIZCTEOSA-N 0 0 333.384 2.410 40 0 EEABRN COC(=O)c1c(NC(=O)Cn2ccc3ccccc32)c(C)nn1C ZINC000072251542 216083136 /nfs/dbraw/zinc/08/31/36/216083136.db2.gz XWEHSJMASSDQHC-UHFFFAOYSA-N 0 0 326.356 2.109 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000072324207 216151020 /nfs/dbraw/zinc/15/10/20/216151020.db2.gz IYQIFXARJMFBRN-GFCCVEGCSA-N 0 0 348.362 2.356 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355338 216164132 /nfs/dbraw/zinc/16/41/32/216164132.db2.gz KSRIDNFPOLQIHW-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000072408122 216200149 /nfs/dbraw/zinc/20/01/49/216200149.db2.gz BJODBCUZRCLJPP-CQSZACIVSA-N 0 0 326.352 2.440 40 0 EEABRN C[C@@H]1CN(CC(=O)NCc2cccs2)c2ccccc2NC1=O ZINC000072488774 216263065 /nfs/dbraw/zinc/26/30/65/216263065.db2.gz VHQKJYQIAXLGRX-GFCCVEGCSA-N 0 0 329.425 2.459 40 0 EEABRN Cc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)c(CN(C)C)c1 ZINC000072840701 216315000 /nfs/dbraw/zinc/31/50/00/216315000.db2.gz CXAPTVAFYNMMNA-UHFFFAOYSA-N 0 0 338.473 2.353 40 0 EEABRN O=C(c1cncc(F)c1)N1CCC2(CC(Nc3ncccn3)C2)C1 ZINC000108527265 219898798 /nfs/dbraw/zinc/89/87/98/219898798.db2.gz MCPIDYWGXYPDSV-UHFFFAOYSA-N 0 0 327.363 2.118 40 0 EEABRN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(N(C)C)c2)C1 ZINC000192937519 239946842 /nfs/dbraw/zinc/94/68/42/239946842.db2.gz QNVCTOTYLSJREN-HUUCEWRRSA-N 0 0 330.388 2.046 40 0 EEABRN C[C@@H](CO)CS[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000074785415 216519860 /nfs/dbraw/zinc/51/98/60/216519860.db2.gz DQBGCQGVSOWQHU-CPCISQLKSA-N 0 0 336.226 2.476 40 0 EEABRN COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000075170256 216594545 /nfs/dbraw/zinc/59/45/45/216594545.db2.gz JJURSYZBGNBJML-GOSISDBHSA-N 0 0 330.384 2.284 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000193845810 240333817 /nfs/dbraw/zinc/33/38/17/240333817.db2.gz UHSSPACZLRPOQQ-LBPRGKRZSA-N 0 0 326.462 2.227 40 0 EEABRN CC(=O)O[C@@H]1[C@@H](OC(C)=O)CCCN1C(=O)OCc1ccccc1 ZINC000022056565 212274027 /nfs/dbraw/zinc/27/40/27/212274027.db2.gz CEEWHAMHKUWUMK-JKSUJKDBSA-N 0 0 335.356 2.240 40 0 in-vitro EEABRN O=C(CN1CCOC1=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219521517 241392279 /nfs/dbraw/zinc/39/22/79/241392279.db2.gz PGYGDUXYZKMVHF-LBPRGKRZSA-N 0 0 326.443 2.207 40 0 EEABRN Cn1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)n1 ZINC000223373283 241640730 /nfs/dbraw/zinc/64/07/30/241640730.db2.gz CPQOKUZROWGGFQ-HNNXBMFYSA-N 0 0 337.383 2.031 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000223770447 241690154 /nfs/dbraw/zinc/69/01/54/241690154.db2.gz MTVOAHCGBOQSSP-UHFFFAOYSA-N 0 0 339.398 2.064 40 0 EEABRN COC[C@H](O)CNC(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000225790351 242038773 /nfs/dbraw/zinc/03/87/73/242038773.db2.gz ZAYYPOVIXKHBGQ-CYBMUJFWSA-N 0 0 342.386 2.083 40 0 EEABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(C(N)=O)CC1 ZINC000225807540 242046278 /nfs/dbraw/zinc/04/62/78/242046278.db2.gz ZRZNPKKGEBCMID-ZDUSSCGKSA-N 0 0 330.428 2.057 40 0 EEABRN COc1coc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1=O ZINC000242147510 243012320 /nfs/dbraw/zinc/01/23/20/243012320.db2.gz WSIJTIWUFYRSIW-LBPRGKRZSA-N 0 0 346.358 2.186 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000249591860 243700028 /nfs/dbraw/zinc/70/00/28/243700028.db2.gz PFYMAIXJHFNOLA-CABCVRRESA-N 0 0 349.456 2.472 40 0 EEABRN O=C1[C@H](Sc2nncn2-c2ccccc2)CCN1C1CCOCC1 ZINC000253427662 243969402 /nfs/dbraw/zinc/96/94/02/243969402.db2.gz DCRUSIZEBGRXNT-OAHLLOKOSA-N 0 0 344.440 2.139 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nccnc3N)C2)cc1 ZINC000257208810 244143387 /nfs/dbraw/zinc/14/33/87/244143387.db2.gz BNQZRJBNPNWFED-AWEZNQCLSA-N 0 0 346.456 2.011 40 0 EEABRN CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CCCCC1 ZINC000257214701 244163337 /nfs/dbraw/zinc/16/33/37/244163337.db2.gz CNCZAACCDDCIEX-GOSISDBHSA-N 0 0 330.432 2.011 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)CCc2cccs2)cc(=O)[nH]1 ZINC000257229366 244206143 /nfs/dbraw/zinc/20/61/43/244206143.db2.gz FXVIYKGHBXTKAA-CQSZACIVSA-N 0 0 333.413 2.085 40 0 EEABRN CO[C@@H]1CCCC[C@@H](NC(=O)COc2ccccc2Cl)[C@H]1O ZINC000257242966 244248043 /nfs/dbraw/zinc/24/80/43/244248043.db2.gz IEYIDJPYBJIETQ-XNRPHZJLSA-N 0 0 327.808 2.154 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cccnc1 ZINC000257235475 244226962 /nfs/dbraw/zinc/22/69/62/244226962.db2.gz GYAOOEASOPFXLQ-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1 ZINC000257235565 244227713 /nfs/dbraw/zinc/22/77/13/244227713.db2.gz GYJWBFRISBJGQX-HNNXBMFYSA-N 0 0 327.432 2.295 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC000257237800 244234580 /nfs/dbraw/zinc/23/45/80/244234580.db2.gz HIFWZVNGLMZJOO-CYBMUJFWSA-N 0 0 340.383 2.032 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2Cc2ccnn2C(C)C)n1 ZINC000257238107 244234931 /nfs/dbraw/zinc/23/49/31/244234931.db2.gz HJPYMURMMHUKAJ-OAHLLOKOSA-N 0 0 330.436 2.178 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cc(C)cs2)n1 ZINC000257242124 244246796 /nfs/dbraw/zinc/24/67/96/244246796.db2.gz IBESVMSYIOPUTC-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN COCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)OC(C)(C)C)C2 ZINC000257249147 244265986 /nfs/dbraw/zinc/26/59/86/244265986.db2.gz JGZWCPMGNLBVLX-MOROJQBDSA-N 0 0 338.448 2.412 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)nc(C)n1 ZINC000257250385 244267870 /nfs/dbraw/zinc/26/78/70/244267870.db2.gz JMICPJAREWSZRU-OAHLLOKOSA-N 0 0 343.431 2.328 40 0 EEABRN COCCOCC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257265101 244358868 /nfs/dbraw/zinc/35/88/68/244358868.db2.gz LXICJLBAGWOHSC-LZWOXQAQSA-N 0 0 337.391 2.105 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2cccc3ncccc32)CCO1 ZINC000257274587 244387940 /nfs/dbraw/zinc/38/79/40/244387940.db2.gz NLTABBUUMWSTDD-INIZCTEOSA-N 0 0 349.394 2.280 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCCc3ccccc3)cc2oc1=O ZINC000019936734 212087437 /nfs/dbraw/zinc/08/74/37/212087437.db2.gz NICAMROHVGAIRH-UHFFFAOYSA-N 0 0 346.408 2.135 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2oc1=O ZINC000019936813 212087531 /nfs/dbraw/zinc/08/75/31/212087531.db2.gz VILBJOCGMGINQN-UHFFFAOYSA-N 0 0 346.408 2.435 40 0 EEABRN CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccccc1 ZINC000257286563 244424473 /nfs/dbraw/zinc/42/44/73/244424473.db2.gz PMAIKXWVAPXIEL-IAGOWNOFSA-N 0 0 336.457 2.241 40 0 EEABRN CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cncs2)n1 ZINC000257304209 244472311 /nfs/dbraw/zinc/47/23/11/244472311.db2.gz SKMRFKWLYRAJIG-AWEZNQCLSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)CC1CCN(C(=O)C(C)C)CC1 ZINC000019748257 212061394 /nfs/dbraw/zinc/06/13/94/212061394.db2.gz MXRBVTMZMUIBRQ-CYBMUJFWSA-N 0 0 334.464 2.190 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402487 212025942 /nfs/dbraw/zinc/02/59/42/212025942.db2.gz NRYQHODDYPGZQW-INIZCTEOSA-N 0 0 347.378 2.204 40 0 EEABRN COCC(=O)N[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)C(C)C ZINC000078095440 217021878 /nfs/dbraw/zinc/02/18/78/217021878.db2.gz XIVOVDIYLMTOSY-HOCLYGCPSA-N 0 0 338.835 2.231 40 0 EEABRN C[C@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 ZINC000078556597 217077642 /nfs/dbraw/zinc/07/76/42/217077642.db2.gz MKXVKAIAILRACN-VUCTXSBTSA-N 0 0 337.383 2.409 40 0 EEABRN CCCO[C@@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000078671202 217099662 /nfs/dbraw/zinc/09/96/62/217099662.db2.gz ZZZOUSAZRIBDJR-QGZVFWFLSA-N 0 0 343.431 2.013 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000078774580 217118452 /nfs/dbraw/zinc/11/84/52/217118452.db2.gz CTVJWGWWYXGCRF-OAHLLOKOSA-N 0 0 349.456 2.384 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1F ZINC000078986872 217164993 /nfs/dbraw/zinc/16/49/93/217164993.db2.gz AUMHKZBLYGKFEH-SNVBAGLBSA-N 0 0 338.688 2.372 40 0 EEABRN CCS[C@@H]1CCCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000078987446 217166120 /nfs/dbraw/zinc/16/61/20/217166120.db2.gz KFVCOXASMFJOPO-CYBMUJFWSA-N 0 0 333.519 2.478 40 0 EEABRN Cc1ccccc1-n1nccc1NC(=O)CNC(=O)Cc1ccccc1 ZINC000079096491 217192070 /nfs/dbraw/zinc/19/20/70/217192070.db2.gz ZXOGHOCSAYMDRF-UHFFFAOYSA-N 0 0 348.406 2.478 40 0 EEABRN COc1ccc2[nH]cc(CCNC(=O)c3c(C)c(C)n[nH]c3=O)c2c1 ZINC000079051108 217183430 /nfs/dbraw/zinc/18/34/30/217183430.db2.gz FQRBYIQWBIAMLT-UHFFFAOYSA-N 0 0 340.383 2.261 40 0 EEABRN Cc1ccc(C[C@@H](NC(=O)CCS(C)(=O)=O)c2ccccn2)cc1 ZINC000079360590 217214999 /nfs/dbraw/zinc/21/49/99/217214999.db2.gz NFWKPNPGDCIKTF-QGZVFWFLSA-N 0 0 346.452 2.225 40 0 EEABRN Cn1nc(C(=O)NCCc2ccc(OC3CCCC3)cc2)ccc1=O ZINC000079334809 217209704 /nfs/dbraw/zinc/20/97/04/217209704.db2.gz NMWNULYTBIUVHX-UHFFFAOYSA-N 0 0 341.411 2.074 40 0 EEABRN Cc1ccc(NCCNC(=O)[C@@H]2SCCc3sccc32)nn1 ZINC000079947391 217266878 /nfs/dbraw/zinc/26/68/78/217266878.db2.gz AENTWUWTLDIUBI-CQSZACIVSA-N 0 0 334.470 2.405 40 0 EEABRN COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1C ZINC000080799757 217333704 /nfs/dbraw/zinc/33/37/04/217333704.db2.gz LZSATKFRIYADPU-UHFFFAOYSA-N 0 0 335.425 2.499 40 0 EEABRN CCCc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n[nH]1 ZINC000012147395 211307933 /nfs/dbraw/zinc/30/79/33/211307933.db2.gz NYRJCWTVTSGEBK-UHFFFAOYSA-N 0 0 342.399 2.087 40 0 EEABRN COC(=O)[C@H]1CN(Cc2cnc(-c3ccc(C)cc3)s2)CCO1 ZINC000093083445 218191237 /nfs/dbraw/zinc/19/12/37/218191237.db2.gz UCAUBNCKRAYSJX-OAHLLOKOSA-N 0 0 332.425 2.492 40 0 EEABRN O=C(Nc1sc2c(c1C(=O)N1CC[C@@H](O)C1)CCC2)c1ccco1 ZINC000095405854 218341290 /nfs/dbraw/zinc/34/12/90/218341290.db2.gz GFUVKGDTUMJTAI-SNVBAGLBSA-N 0 0 346.408 2.289 40 0 EEABRN COCCC1(C(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)CCCC1 ZINC000095415106 218353224 /nfs/dbraw/zinc/35/32/24/218353224.db2.gz LIYLWKLEGPOAOH-UHFFFAOYSA-N 0 0 347.459 2.286 40 0 EEABRN CS(=O)(=O)c1ccc([C@H](O)Cn2nccc2-c2ccncc2)cc1 ZINC000095438835 218382372 /nfs/dbraw/zinc/38/23/72/218382372.db2.gz KNARFOOKSAFZDC-QGZVFWFLSA-N 0 0 343.408 2.082 40 0 EEABRN CCn1nnnc1NCc1cc(Br)c(OC)c(OC)c1 ZINC000008339871 210938626 /nfs/dbraw/zinc/93/86/26/210938626.db2.gz TYZURAVAHVPTEY-UHFFFAOYSA-N 0 0 342.197 2.085 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046335 218533441 /nfs/dbraw/zinc/53/34/41/218533441.db2.gz MKHYLLSWPHCONS-AEGPPILISA-N 0 0 328.372 2.074 40 0 EEABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1)C2 ZINC000096039404 218521106 /nfs/dbraw/zinc/52/11/06/218521106.db2.gz KQWGFOZKRNHFRX-HKUYNNGSSA-N 0 0 333.428 2.500 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC000096055465 218545461 /nfs/dbraw/zinc/54/54/61/218545461.db2.gz JXSQPIOJQZDNON-BHYGNILZSA-N 0 0 339.395 2.175 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096058005 218549290 /nfs/dbraw/zinc/54/92/90/218549290.db2.gz CZTWDGFTTOPAJK-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cnn(C2CCOCC2)c1 ZINC000096123333 218614338 /nfs/dbraw/zinc/61/43/38/218614338.db2.gz NZNDPHVUIIMMGQ-SJKOYZFVSA-N 0 0 343.383 2.402 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@H]2[C@H](CNc3ncccn3)OC[C@@H]2C1 ZINC000096187345 218654585 /nfs/dbraw/zinc/65/45/85/218654585.db2.gz LANSQVLVEODAAA-KKUMJFAQSA-N 0 0 344.440 2.127 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cnoc2C)Cc2cn(CC3CC3)nc21 ZINC000096198161 218669422 /nfs/dbraw/zinc/66/94/22/218669422.db2.gz KMWIHJCEGDUEJM-HNNXBMFYSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1ccccc1NC(=O)N1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253186 218723540 /nfs/dbraw/zinc/72/35/40/218723540.db2.gz XKRUMQRXCGRAID-HLLBOEOZSA-N 0 0 343.427 2.239 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000096405512 218755890 /nfs/dbraw/zinc/75/58/90/218755890.db2.gz WJXPTWUCRUSJHV-ZFWWWQNUSA-N 0 0 345.374 2.500 40 0 EEABRN CS[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000096416547 218777708 /nfs/dbraw/zinc/77/77/08/218777708.db2.gz RNBMDBIDJIRGKX-CABCVRRESA-N 0 0 334.489 2.483 40 0 EEABRN Cn1cc(Br)cc1C(=O)NCc1cn2ccsc2n1 ZINC000096430571 218804425 /nfs/dbraw/zinc/80/44/25/218804425.db2.gz GVVOSJLZSOUCSK-UHFFFAOYSA-N 0 0 339.218 2.427 40 0 EEABRN CCn1cnnc1CNC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000096431340 218806059 /nfs/dbraw/zinc/80/60/59/218806059.db2.gz DLDLFPIUIWREEV-LLVKDONJSA-N 0 0 337.811 2.218 40 0 EEABRN C[C@H](c1ccc(Cl)cc1)N1CCN(CCS(C)(=O)=O)CC1 ZINC000096435793 218814312 /nfs/dbraw/zinc/81/43/12/218814312.db2.gz RUZVFKRWUZCORK-CYBMUJFWSA-N 0 0 330.881 2.063 40 0 EEABRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OC[C@H]1CCC(=O)N1 ZINC000096443986 218825466 /nfs/dbraw/zinc/82/54/66/218825466.db2.gz NOORUSIXEKGHNP-GFCCVEGCSA-N 0 0 333.775 2.270 40 0 EEABRN COc1ccc([C@H](NC(=O)N2CCC[C@H]2CO)C(F)(F)F)cc1 ZINC000097100236 218953470 /nfs/dbraw/zinc/95/34/70/218953470.db2.gz QFCFQKYRPWCKER-AAEUAGOBSA-N 0 0 332.322 2.465 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)CC(=O)N2 ZINC000004944365 210334334 /nfs/dbraw/zinc/33/43/34/210334334.db2.gz PNYHLNRZGIYYHW-NSHDSACASA-N 0 0 331.397 2.365 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccc(C)cc1 ZINC000257241003 285158179 /nfs/dbraw/zinc/15/81/79/285158179.db2.gz HWFOHPHCUCMUKJ-AEFFLSMTSA-N 0 0 346.471 2.429 40 0 EEABRN CCN(C(=O)c1ccccc1Br)[C@H](C)CS(C)(=O)=O ZINC000079033941 257835139 /nfs/dbraw/zinc/83/51/39/257835139.db2.gz HKRCKTROUSYPEK-SNVBAGLBSA-N 0 0 348.262 2.344 40 0 EEABRN Cc1cc(CS(=O)(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)no1 ZINC000270234807 257843434 /nfs/dbraw/zinc/84/34/34/257843434.db2.gz IYTUYWOSOCYLCN-ZDUSSCGKSA-N 0 0 344.433 2.009 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 ZINC000225423137 257844644 /nfs/dbraw/zinc/84/46/44/257844644.db2.gz DMIXBXIABVAIFM-GDBMZVCRSA-N 0 0 327.384 2.232 40 0 EEABRN O=c1n(Cc2ccc(F)cc2)nc2n1-c1ccccc1C1=NCCCN21 ZINC000072342126 257914067 /nfs/dbraw/zinc/91/40/67/257914067.db2.gz JZPQGTCWFIVFHM-UHFFFAOYSA-N 0 0 349.369 2.192 40 0 EEABRN C[C@@H]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H]1C ZINC000241587966 258000808 /nfs/dbraw/zinc/00/08/08/258000808.db2.gz OYMSIWSLPQIIGE-LEOABGAYSA-N 0 0 334.460 2.493 40 0 EEABRN COC(=O)[C@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(C)c1 ZINC000192787167 533356366 /nfs/dbraw/zinc/35/63/66/533356366.db2.gz DDPDUBQXCJAJIZ-JKSUJKDBSA-N 0 0 336.407 2.337 40 0 EEABRN CO[C@@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)CC[C@H]1C ZINC000190212992 533464924 /nfs/dbraw/zinc/46/49/24/533464924.db2.gz ZMJFROLASKYMIJ-GDBMZVCRSA-N 0 0 343.431 2.410 40 0 EEABRN CN1c2ccccc2S[C@](C)(C(=O)NCc2cccnc2)C1=O ZINC000040774564 132406834 /nfs/dbraw/zinc/40/68/34/132406834.db2.gz TUMRALIJOKULKP-QGZVFWFLSA-N 0 0 327.409 2.225 40 0 EEABRN Cc1cc2n(n1)c(=O)c1ccccc1n2S(=O)(=O)c1ccccc1 ZINC000255188738 292022588 /nfs/dbraw/zinc/02/25/88/292022588.db2.gz LFVWJDBBWWQDFQ-UHFFFAOYSA-N 0 0 339.376 2.195 40 0 EEABRN COc1cc2s/c(=N/C(=O)c3cc(C)nn3C)n(C)c2cc1OC ZINC000012226497 286263182 /nfs/dbraw/zinc/26/31/82/286263182.db2.gz CYDVFFKNPZQFHZ-WUKNDPDISA-N 0 0 346.412 2.040 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc2c1OCCO2 ZINC000173491527 152171632 /nfs/dbraw/zinc/17/16/32/152171632.db2.gz KQCRPWCSJVAJBS-LLVKDONJSA-N 0 0 329.400 2.169 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC2(CCCN(CC3CCC3)C2=O)CC1 ZINC000108527527 304446264 /nfs/dbraw/zinc/44/62/64/304446264.db2.gz QUURKMJSSVTMIZ-INIZCTEOSA-N 0 0 334.460 2.054 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1Cl ZINC000257290231 292517432 /nfs/dbraw/zinc/51/74/32/292517432.db2.gz QCCKFYPMYMVMHZ-CJNGLKHVSA-N 0 0 338.835 2.354 40 0 EEABRN CCOc1ncccc1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171456283 227088759 /nfs/dbraw/zinc/08/87/59/227088759.db2.gz XBXFUQZLHDKJKP-OAHLLOKOSA-N 0 0 329.404 2.261 40 0 EEABRN CC(=O)c1c(C)oc(=O)c2c1-c1sccc1S(=O)(=O)N2C ZINC000019894253 275802127 /nfs/dbraw/zinc/80/21/27/275802127.db2.gz IWLXZZJKVGOQAD-UHFFFAOYSA-N 0 0 325.367 2.018 40 0 EEABRN CCN(CC)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000138908867 276121137 /nfs/dbraw/zinc/12/11/37/276121137.db2.gz AQJRNGNTYRXNLF-UONOGXRCSA-N 0 0 339.486 2.186 40 0 EEABRN CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225828289 276505100 /nfs/dbraw/zinc/50/51/00/276505100.db2.gz JHSAZXXRXDQFAT-UHFFFAOYSA-N 0 0 343.832 2.490 40 0 EEABRN COC(=O)c1nnc2sc(-c3ccc(Br)cc3)nn21 ZINC000057339022 277453498 /nfs/dbraw/zinc/45/34/98/277453498.db2.gz ATLTXUJKOBWQAV-UHFFFAOYSA-N 0 0 339.174 2.402 40 0 EEABRN CC1(C)COCCN1S(=O)(=O)c1sccc1Br ZINC000042405613 281287658 /nfs/dbraw/zinc/28/76/58/281287658.db2.gz CYLVILXCLJGINQ-UHFFFAOYSA-N 0 0 340.264 2.310 40 0 EEABRN Cc1ccccc1Cc1noc(CN[C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC000131303579 281345881 /nfs/dbraw/zinc/34/58/81/281345881.db2.gz MUGIZWSRHHALTI-HUUCEWRRSA-N 0 0 328.416 2.103 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000195221648 295107100 /nfs/dbraw/zinc/10/71/00/295107100.db2.gz OXNDTEXFOMTNSC-AWEZNQCLSA-N 0 0 335.429 2.263 40 0 EEABRN Cc1cccnc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079001406 302237159 /nfs/dbraw/zinc/23/71/59/302237159.db2.gz KJYFULWDDIWOTN-CVEARBPZSA-N 0 0 329.444 2.435 40 0 EEABRN Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)s1 ZINC000096181536 302362609 /nfs/dbraw/zinc/36/26/09/302362609.db2.gz WWEFUAJFJFTWPA-GJZGRUSLSA-N 0 0 345.424 2.297 40 0 EEABRN Cc1nc2c(cnn2C(C)(C)C)c(N2CC[S@@](=O)C(C)(C)C2)n1 ZINC000096481018 302652002 /nfs/dbraw/zinc/65/20/02/302652002.db2.gz KVZJOVAGNGFFDT-QHCPKHFHSA-N 0 0 335.477 2.237 40 0 EEABRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCCC2(C1)OCCO2 ZINC000096489385 303921364 /nfs/dbraw/zinc/92/13/64/303921364.db2.gz XEEKSBLCDFFKST-IXDOHACOSA-N 0 0 328.412 2.263 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)o1 ZINC000180685190 311464474 /nfs/dbraw/zinc/46/44/74/311464474.db2.gz YGIWJOBKEOVURV-LJQANCHMSA-N 0 0 339.347 2.209 40 0 EEABRN CC[C@H]1CN(S(=O)(=O)c2cccc3c2OCC3)C[C@H](CC)O1 ZINC000331819521 311909025 /nfs/dbraw/zinc/90/90/25/311909025.db2.gz OFUFNISOCUDUGP-KBPBESRZSA-N 0 0 325.430 2.200 40 0 EEABRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000332317716 311988619 /nfs/dbraw/zinc/98/86/19/311988619.db2.gz KQXDOWJYQJXXBY-YGRLFVJLSA-N 0 0 347.806 2.172 40 0 EEABRN COc1cncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000332395874 312000667 /nfs/dbraw/zinc/00/06/67/312000667.db2.gz OVJWFFFFVLFEJE-UHFFFAOYSA-N 0 0 332.791 2.101 40 0 EEABRN O=C(N[C@@H]1CC12CCOCC2)N[C@H]1CCN(c2ccccc2F)C1 ZINC000333497194 312156439 /nfs/dbraw/zinc/15/64/39/312156439.db2.gz JTXSUSOXLQUDII-XJKSGUPXSA-N 0 0 333.407 2.273 40 0 EEABRN C[C@@H]1CN(C(=O)Cc2noc(/C=C/C3(C)CCOCC3)n2)C[C@H](C)O1 ZINC000333804899 312199253 /nfs/dbraw/zinc/19/92/53/312199253.db2.gz GWLXRQSFTUZHRD-TWRSITDPSA-N 0 0 349.431 2.078 40 0 EEABRN COC(=O)c1c(I)cnn1CCC(F)(F)F ZINC000408717009 533701240 /nfs/dbraw/zinc/70/12/40/533701240.db2.gz UTCSXFOOJQHZIC-UHFFFAOYSA-N 0 0 348.062 2.227 40 0 EEABRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1cccc(O)c1 ZINC000097236878 323321367 /nfs/dbraw/zinc/32/13/67/323321367.db2.gz UCHWLUFPDDXOIX-UHFFFAOYSA-N 0 0 330.350 2.420 40 0 EEABRN CNC(=O)[C@@H]1CCCN1Cc1cc(Br)cc2c1OCC2 ZINC000184842694 465028934 /nfs/dbraw/zinc/02/89/34/465028934.db2.gz BZGHIUVBRKDSAD-ZDUSSCGKSA-N 0 0 339.233 2.094 40 0 EEABRN Cn1c(=O)sc2cc(CN3CCC(O)(C(F)F)CC3)ccc21 ZINC000354633162 465066209 /nfs/dbraw/zinc/06/62/09/465066209.db2.gz NZYHKFBEQWYUBK-UHFFFAOYSA-N 0 0 328.384 2.192 40 0 EEABRN Cc1noc(CCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000074034623 462545176 /nfs/dbraw/zinc/54/51/76/462545176.db2.gz IUFHWFXBCCOTDU-GFCCVEGCSA-N 0 0 325.372 2.374 40 0 EEABRN COc1ccc(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)cc1 ZINC000001361728 462580105 /nfs/dbraw/zinc/58/01/05/462580105.db2.gz NIWWOLWGBBNATR-GFCCVEGCSA-N 0 0 326.352 2.448 40 0 EEABRN C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000001361816 462580391 /nfs/dbraw/zinc/58/03/91/462580391.db2.gz WTXBIYLIFDNKMJ-LBPRGKRZSA-N 0 0 328.343 2.256 40 0 EEABRN COc1ccc(N(C)C(=O)[C@H](CC(C)C)N2CCCCC2=O)cn1 ZINC000087193258 462594622 /nfs/dbraw/zinc/59/46/22/462594622.db2.gz LYJMZNCTNQFSDJ-HNNXBMFYSA-N 0 0 333.432 2.480 40 0 EEABRN CCc1noc(CC)c1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000088390734 462626936 /nfs/dbraw/zinc/62/69/36/462626936.db2.gz WUESTWOYFZQHJF-CYBMUJFWSA-N 0 0 347.419 2.497 40 0 EEABRN OC1CSCCCSCC(O)CSCCCSC1 ZINC000004529115 462633913 /nfs/dbraw/zinc/63/39/13/462633913.db2.gz UKLHHIPXESCOQU-UHFFFAOYSA-N 0 0 328.590 2.435 40 0 EEABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC)CC2=O)c(Cl)c1 ZINC000045953342 462634031 /nfs/dbraw/zinc/63/40/31/462634031.db2.gz DSYQTBDZMNXQRJ-LLVKDONJSA-N 0 0 339.775 2.433 40 0 EEABRN CC(C)(C)c1nc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)no1 ZINC000088604650 462638594 /nfs/dbraw/zinc/63/85/94/462638594.db2.gz LCIXBJODJIHVIV-KRWDZBQOSA-N 0 0 338.452 2.498 40 0 EEABRN CNC(=O)CC1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000074870971 462647906 /nfs/dbraw/zinc/64/79/06/462647906.db2.gz MJHBTHFCYRMYNX-INIZCTEOSA-N 0 0 345.443 2.458 40 0 EEABRN CCOc1c(Br)cc(C(=O)NCCOC)cc1OC ZINC000005980179 462673867 /nfs/dbraw/zinc/67/38/67/462673867.db2.gz NKIPFQBCSAOTSY-UHFFFAOYSA-N 0 0 332.194 2.233 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006324794 462681760 /nfs/dbraw/zinc/68/17/60/462681760.db2.gz MATRQNZVECFBEO-LLVKDONJSA-N 0 0 332.853 2.411 40 0 EEABRN CCCn1c(=O)c(C(=O)Nc2nncs2)c(O)c2c1CC[C@@H](C)C2 ZINC000006511019 462688686 /nfs/dbraw/zinc/68/86/86/462688686.db2.gz YGNWMQOTNMANCV-SECBINFHSA-N 0 0 348.428 2.193 40 0 EEABRN Cc1ccc(N2C[C@H](C(=O)N3[C@@H]4CC[C@H]3COC4)CC2=O)cc1C ZINC000075166530 462691139 /nfs/dbraw/zinc/69/11/39/462691139.db2.gz JINGGYMPWIQMEJ-OIISXLGYSA-N 0 0 328.412 2.046 40 0 EEABRN CCCCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000006597024 462691844 /nfs/dbraw/zinc/69/18/44/462691844.db2.gz OKWORDAXVQJYHN-UHFFFAOYSA-N 0 0 332.853 2.412 40 0 EEABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)NCCOC ZINC000006948041 462713903 /nfs/dbraw/zinc/71/39/03/462713903.db2.gz ZTVPVRIBELTGMH-UHFFFAOYSA-N 0 0 348.472 2.134 40 0 EEABRN CCNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000006954037 462714453 /nfs/dbraw/zinc/71/44/53/462714453.db2.gz XCWFQCKWHNFYQD-UHFFFAOYSA-N 0 0 346.452 2.234 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1OC ZINC000008475999 462784340 /nfs/dbraw/zinc/78/43/40/462784340.db2.gz CQJTTXCRBQLYCC-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN Cc1n[nH]c(=O)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)n1nnnc1N2 ZINC000010298508 462816550 /nfs/dbraw/zinc/81/65/50/462816550.db2.gz XDNWBHYFRZDRTM-CQSZACIVSA-N 0 0 337.387 2.469 40 0 EEABRN Cc1ccc([C@](O)(CC(=O)N[C@@H](C)c2cnn(C)c2)C(F)(F)F)o1 ZINC000091059773 462828505 /nfs/dbraw/zinc/82/85/05/462828505.db2.gz BJEUEJJDAXURKL-IINYFYTJSA-N 0 0 345.321 2.339 40 0 EEABRN CCN1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161643 462843383 /nfs/dbraw/zinc/84/33/83/462843383.db2.gz AULKNMMGDAKYIW-JSGCOSHPSA-N 0 0 337.786 2.163 40 0 EEABRN COc1ccc(CN(Cc2cnc(N)nc2)C[C@H]2CCCO2)cc1 ZINC000012187538 462847473 /nfs/dbraw/zinc/84/74/73/462847473.db2.gz FDZBPINPRJVQOJ-QGZVFWFLSA-N 0 0 328.416 2.249 40 0 EEABRN CCOC(=O)/C=C/c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 ZINC000048066072 462856569 /nfs/dbraw/zinc/85/65/69/462856569.db2.gz GWUJCJALADDTKL-JXMROGBWSA-N 0 0 345.399 2.007 40 0 EEABRN O=C1CSC(=O)N1Cc1nn2c(nnc2-c2ccccc2)s1 ZINC000015057071 462939719 /nfs/dbraw/zinc/93/97/19/462939719.db2.gz WXLUNVOONRKUNL-UHFFFAOYSA-N 0 0 331.382 2.048 40 0 EEABRN Cc1cc(CCNC(=O)COc2cccc3c2OC(C)(C)C3)on1 ZINC000077122124 462940989 /nfs/dbraw/zinc/94/09/89/462940989.db2.gz OFCQJAPDYDLFOQ-UHFFFAOYSA-N 0 0 330.384 2.434 40 0 EEABRN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1COc2ccccc2C1 ZINC000077462884 462990605 /nfs/dbraw/zinc/99/06/05/462990605.db2.gz UCDYOPOHDWJDPD-MRXNPFEDSA-N 0 0 334.379 2.135 40 0 EEABRN Cc1cc(C)cc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 ZINC000077611403 463011684 /nfs/dbraw/zinc/01/16/84/463011684.db2.gz QEUDBBWDUBVCIX-HUUCEWRRSA-N 0 0 338.473 2.063 40 0 EEABRN CC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCOCC2)cs1 ZINC000019022935 463012907 /nfs/dbraw/zinc/01/29/07/463012907.db2.gz LFHNEHXBZZCOCH-UHFFFAOYSA-N 0 0 346.412 2.190 40 0 EEABRN O=C(CC1CCCC1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 ZINC000019404004 463017081 /nfs/dbraw/zinc/01/70/81/463017081.db2.gz JEZLABZDIKBYNS-ZDUSSCGKSA-N 0 0 343.387 2.007 40 0 EEABRN C[C@H]1C[C@H]1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12 ZINC000019495874 463018049 /nfs/dbraw/zinc/01/80/49/463018049.db2.gz HZHAWUQIVXELRR-DZGCQCFKSA-N 0 0 342.439 2.481 40 0 EEABRN Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H]2C)n(C)n1 ZINC000077768444 463042060 /nfs/dbraw/zinc/04/20/60/463042060.db2.gz YKOGKWJXYBDOHB-HZUKXOBISA-N 0 0 326.400 2.181 40 0 EEABRN CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000022278258 463047930 /nfs/dbraw/zinc/04/79/30/463047930.db2.gz QUSIZILYWZAGKC-UHFFFAOYSA-N 0 0 348.424 2.027 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)ccc1OC ZINC000052411015 463077112 /nfs/dbraw/zinc/07/71/12/463077112.db2.gz LUTKQUMBXNSMLL-GFCCVEGCSA-N 0 0 326.805 2.314 40 0 EEABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[C@H](O)COCc1ccccc1Cl ZINC000024095510 463078124 /nfs/dbraw/zinc/07/81/24/463078124.db2.gz WKACAFUZWGHEDL-KKUMJFAQSA-N 0 0 349.814 2.169 40 0 EEABRN CC(C)COC(=O)N1CCC(C(=O)Nc2ccnc3ccnn32)CC1 ZINC000078717226 463143010 /nfs/dbraw/zinc/14/30/10/463143010.db2.gz YZWBLESAVVVWEH-UHFFFAOYSA-N 0 0 345.403 2.172 40 0 EEABRN Fc1cccnc1OC[C@]12CCCO[C@@H]1CCN(c1ncccn1)C2 ZINC000096040479 463144965 /nfs/dbraw/zinc/14/49/65/463144965.db2.gz YQCRHSAYSZDNNQ-CRAIPNDOSA-N 0 0 344.390 2.465 40 0 EEABRN Fc1cccnc1OC[C@@]12CCCO[C@H]1CCN(c1ncccn1)C2 ZINC000096040480 463145667 /nfs/dbraw/zinc/14/56/67/463145667.db2.gz YQCRHSAYSZDNNQ-YJBOKZPZSA-N 0 0 344.390 2.465 40 0 EEABRN O=C(Cc1cccs1)NC[C@H]1OCCc2cn(CC3CC3)nc21 ZINC000096044374 463149163 /nfs/dbraw/zinc/14/91/63/463149163.db2.gz VPZCEFQYNBZAHB-OAHLLOKOSA-N 0 0 331.441 2.327 40 0 EEABRN Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cc4cccs4)C[C@H]3O2)no1 ZINC000096046190 463150189 /nfs/dbraw/zinc/15/01/89/463150189.db2.gz JVWJBHJEPGJBLM-IACUBPJLSA-N 0 0 333.413 2.361 40 0 EEABRN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccco2)cs1 ZINC000096055642 463158485 /nfs/dbraw/zinc/15/84/85/463158485.db2.gz AOZYRFXCKHNHPV-QWHCGFSZSA-N 0 0 331.397 2.060 40 0 EEABRN O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 ZINC000096064020 463163293 /nfs/dbraw/zinc/16/32/93/463163293.db2.gz JDONYLLVAVVVGR-LSDHHAIUSA-N 0 0 349.481 2.181 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC000096071251 463165551 /nfs/dbraw/zinc/16/55/51/463165551.db2.gz XQBWNYMPKLAZPL-IBGZPJMESA-N 0 0 339.395 2.472 40 0 EEABRN c1csc(CN2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)n1 ZINC000096072389 463167274 /nfs/dbraw/zinc/16/72/74/463167274.db2.gz GVYBBARLPLXVHB-RDJZCZTQSA-N 0 0 331.441 2.488 40 0 EEABRN Cc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1C ZINC000096084484 463170730 /nfs/dbraw/zinc/17/07/30/463170730.db2.gz ZSGLAJLCIKZWTL-UHFFFAOYSA-N 0 0 335.411 2.438 40 0 EEABRN CO[C@]1(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CCSC1 ZINC000096097677 463171780 /nfs/dbraw/zinc/17/17/80/463171780.db2.gz GHTWTGJYTMHDPU-INIZCTEOSA-N 0 0 341.498 2.366 40 0 EEABRN COc1c(C)cc(S(=O)(=O)NC[C@]2(OC)CCSC2)cc1C ZINC000096097685 463171850 /nfs/dbraw/zinc/17/18/50/463171850.db2.gz YFAQTVQRYOTTHF-OAHLLOKOSA-N 0 0 345.486 2.112 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](S(=O)(=O)C(C)(C)C)C1 ZINC000096103402 463173856 /nfs/dbraw/zinc/17/38/56/463173856.db2.gz PYHOANAIGWPYCJ-ZDUSSCGKSA-N 0 0 342.461 2.038 40 0 EEABRN COC[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000096110328 463178884 /nfs/dbraw/zinc/17/88/84/463178884.db2.gz MGMCBXAHGMTCFA-CABCVRRESA-N 0 0 345.848 2.156 40 0 EEABRN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112179 463179941 /nfs/dbraw/zinc/17/99/41/463179941.db2.gz ZLWZNQAQBSIAAB-DOMZBBRYSA-N 0 0 329.379 2.036 40 0 biogenic,in-vitro EEABRN CS(=O)(=O)CCCNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000079028716 463180443 /nfs/dbraw/zinc/18/04/43/463180443.db2.gz IVDZHQFFYRAQHI-UHFFFAOYSA-N 0 0 342.314 2.401 40 0 EEABRN CC(C)CC(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC000096147035 463186296 /nfs/dbraw/zinc/18/62/96/463186296.db2.gz YQHKPIHFACBOPI-UHFFFAOYSA-N 0 0 335.473 2.352 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CCN(c3ncc(F)cn3)C2)CC1 ZINC000096157644 463188568 /nfs/dbraw/zinc/18/85/68/463188568.db2.gz BWGUHWCXSQFNEP-UHFFFAOYSA-N 0 0 341.390 2.143 40 0 EEABRN Cc1cnc(N2CCC3(CC2)CN(Cc2ccoc2)CCO3)nc1 ZINC000096158819 463191337 /nfs/dbraw/zinc/19/13/37/463191337.db2.gz BNGZHQHSIKZVAB-UHFFFAOYSA-N 0 0 328.416 2.249 40 0 EEABRN C[C@H](NC(=O)N1CCSCC1)c1nc(Cc2ccccc2)no1 ZINC000079136394 463191454 /nfs/dbraw/zinc/19/14/54/463191454.db2.gz JDDJWJHTZCFHND-LBPRGKRZSA-N 0 0 332.429 2.480 40 0 EEABRN O=C(C1CC=CC1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187137 463198624 /nfs/dbraw/zinc/19/86/24/463198624.db2.gz IMCPTSZQBJWCPC-SQNIBIBYSA-N 0 0 328.412 2.323 40 0 EEABRN CN(Cc1cn2c(n1)CN(Cc1ccccn1)CC2)Cc1cccnc1 ZINC000096197485 463202642 /nfs/dbraw/zinc/20/26/42/463202642.db2.gz MBEKWYWZSJKVKQ-UHFFFAOYSA-N 0 0 348.454 2.321 40 0 EEABRN CN(Cc1cn2c(n1)CN(C(=O)C1CCC1)CC2)Cc1cccnc1 ZINC000096197495 463203719 /nfs/dbraw/zinc/20/37/19/463203719.db2.gz UYXMWUVJCDIOGQ-UHFFFAOYSA-N 0 0 339.443 2.052 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H]1Cc1cnn(C)c1 ZINC000096200207 463205329 /nfs/dbraw/zinc/20/53/29/463205329.db2.gz BUVOTZZGWLGFHD-ZWKOTPCHSA-N 0 0 338.411 2.374 40 0 EEABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 ZINC000027934420 463209362 /nfs/dbraw/zinc/20/93/62/463209362.db2.gz QOBSCCYGWNVTLI-UHFFFAOYSA-N 0 0 340.788 2.000 40 0 EEABRN Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)C4=CCCCC4)CC[C@H]32)n1 ZINC000096207411 463209947 /nfs/dbraw/zinc/20/99/47/463209947.db2.gz RVEBUIZVAFGLHT-OAGGEKHMSA-N 0 0 330.432 2.020 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096208525 463212662 /nfs/dbraw/zinc/21/26/62/463212662.db2.gz XBJHDCXMDLJKCI-WMZOPIPTSA-N 0 0 343.383 2.050 40 0 EEABRN O=C(CC(F)(F)F)N1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217236 463215450 /nfs/dbraw/zinc/21/54/50/463215450.db2.gz WXOAWULCBXIVOT-LBPRGKRZSA-N 0 0 334.367 2.309 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096219614 463216749 /nfs/dbraw/zinc/21/67/49/463216749.db2.gz RQGQASIMXBBUAC-CJNGLKHVSA-N 0 0 348.403 2.163 40 0 EEABRN c1cc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)ccn1 ZINC000096220140 463217909 /nfs/dbraw/zinc/21/79/09/463217909.db2.gz KHPHOHDGCKKPMU-INIZCTEOSA-N 0 0 325.416 2.045 40 0 EEABRN Cn1cccc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000096222963 463218664 /nfs/dbraw/zinc/21/86/64/463218664.db2.gz XKVRTNGKASVECV-DNVCBOLYSA-N 0 0 340.427 2.296 40 0 EEABRN Cc1ccc(N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)nn1 ZINC000096228162 463222094 /nfs/dbraw/zinc/22/20/94/463222094.db2.gz PEQQLIVVOJGSEW-UHFFFAOYSA-N 0 0 337.427 2.342 40 0 EEABRN CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC)c1ccccc1O2 ZINC000096243036 463225646 /nfs/dbraw/zinc/22/56/46/463225646.db2.gz LMZRITIKHRXCLF-CQSZACIVSA-N 0 0 330.428 2.460 40 0 EEABRN O=C(NCCNC(=O)c1ccco1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000096405561 463239401 /nfs/dbraw/zinc/23/94/01/463239401.db2.gz WJYYUAYQVLZBQS-LSDHHAIUSA-N 0 0 327.384 2.112 40 0 EEABRN CC[C@@H](NC(=O)NCC[S@@](C)=O)c1ccccc1OC(F)F ZINC000096408765 463241449 /nfs/dbraw/zinc/24/14/49/463241449.db2.gz CEOJTSVJBSRVSV-XFNZEKPQSA-N 0 0 334.388 2.417 40 0 EEABRN COc1ccc2oc([C@@H](C)NC(=O)NCC[S@](C)=O)c(C)c2c1 ZINC000096408892 463242411 /nfs/dbraw/zinc/24/24/11/463242411.db2.gz YZSODIPLLOILHC-QVQLBTGDSA-N 0 0 338.429 2.489 40 0 EEABRN COc1ccc2oc([C@H](C)NC(=O)NCC[S@](C)=O)c(C)c2c1 ZINC000096408893 463242818 /nfs/dbraw/zinc/24/28/18/463242818.db2.gz YZSODIPLLOILHC-BSNNYGBQSA-N 0 0 338.429 2.489 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)c1noc2c1CCCC2 ZINC000096412682 463244653 /nfs/dbraw/zinc/24/46/53/463244653.db2.gz YIXIOURZQNYWOT-UHFFFAOYSA-N 0 0 338.371 2.344 40 0 EEABRN O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)NC1CCCCC1 ZINC000054672230 463253468 /nfs/dbraw/zinc/25/34/68/463253468.db2.gz MSFSYWUFCVIHFN-QGZVFWFLSA-N 0 0 330.428 2.253 40 0 EEABRN Cc1ccc(N(C)C(C)C)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C)c1 ZINC000096423770 463253510 /nfs/dbraw/zinc/25/35/10/463253510.db2.gz FLBFFSOUIHPMIN-AWEZNQCLSA-N 0 0 338.473 2.099 40 0 EEABRN CC(C)(Cc1cccc(Br)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC000096423928 463253867 /nfs/dbraw/zinc/25/38/67/463253867.db2.gz BBKSUHYMTVWDAU-GFCCVEGCSA-N 0 0 339.233 2.165 40 0 EEABRN CN(C)S(=O)(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000096426111 463255555 /nfs/dbraw/zinc/25/55/55/463255555.db2.gz VKTUKWSFXXFUGU-OAQYLSRUSA-N 0 0 338.454 2.213 40 0 EEABRN CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC2CCC2)c(F)c1 ZINC000096427990 463257860 /nfs/dbraw/zinc/25/78/60/463257860.db2.gz ABSMEJUCGPDWEY-UHFFFAOYSA-N 0 0 332.372 2.344 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCCC2 ZINC000096432488 463261226 /nfs/dbraw/zinc/26/12/26/463261226.db2.gz IOQIOGRCJDTDFN-LSDHHAIUSA-N 0 0 341.415 2.130 40 0 EEABRN Cc1csc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000096435938 463262932 /nfs/dbraw/zinc/26/29/32/463262932.db2.gz RBXCOLBITMMJJQ-INIZCTEOSA-N 0 0 345.468 2.359 40 0 EEABRN Cc1ccc(Br)cc1C(=O)NC[C@H](O)C1CCOCC1 ZINC000096436970 463264601 /nfs/dbraw/zinc/26/46/01/463264601.db2.gz COMGHRUXBCCILH-AWEZNQCLSA-N 0 0 342.233 2.275 40 0 EEABRN O=C(CCn1ccccc1=O)NCCNc1ccc2ccccc2n1 ZINC000096436745 463265218 /nfs/dbraw/zinc/26/52/18/463265218.db2.gz YLFKNBVEYUEQPT-UHFFFAOYSA-N 0 0 336.395 2.015 40 0 EEABRN C[C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccco2)C1 ZINC000096441268 463267620 /nfs/dbraw/zinc/26/76/20/463267620.db2.gz JIYSYMGFTJNXEE-HZSPNIEDSA-N 0 0 325.430 2.404 40 0 EEABRN Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 ZINC000096443158 463268687 /nfs/dbraw/zinc/26/86/87/463268687.db2.gz CYILARCODLXTEY-WMLDXEAASA-N 0 0 330.428 2.280 40 0 EEABRN O=C(NC[C@@H](O)c1ccccc1F)c1cccc(N2CCCC2=O)c1 ZINC000096445830 463270726 /nfs/dbraw/zinc/27/07/26/463270726.db2.gz HGEKWPBKVVMXDM-QGZVFWFLSA-N 0 0 342.370 2.416 40 0 EEABRN O=C1CCCN1CCc1nc(-c2ccc(Br)o2)no1 ZINC000096448212 463271037 /nfs/dbraw/zinc/27/10/37/463271037.db2.gz HZAIHODGXLSNEZ-UHFFFAOYSA-N 0 0 326.150 2.257 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)n1 ZINC000096449740 463271858 /nfs/dbraw/zinc/27/18/58/463271858.db2.gz ZMGRXBYUSTYZDO-GOEBONIOSA-N 0 0 340.427 2.145 40 0 EEABRN O=C(N[C@@H]1CCC(=O)NC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000096448328 463272028 /nfs/dbraw/zinc/27/20/28/463272028.db2.gz QNQTUERNNDCUSC-XLSPSMHOSA-N 0 0 326.440 2.430 40 0 EEABRN COc1ccc(NC(=O)NCCc2cn3ccccc3n2)c(C)n1 ZINC000096471111 463279088 /nfs/dbraw/zinc/27/90/88/463279088.db2.gz AKXLUBVZGMBEOY-UHFFFAOYSA-N 0 0 325.372 2.411 40 0 EEABRN COc1ccc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c(C)n1 ZINC000096471129 463279157 /nfs/dbraw/zinc/27/91/57/463279157.db2.gz CGOJICHVPBZFCS-LLVKDONJSA-N 0 0 346.353 2.499 40 0 EEABRN CC[C@@H](C)n1cnc(S(=O)(=O)NC[C@@H](O)c2ccccc2C)c1 ZINC000096483517 463282601 /nfs/dbraw/zinc/28/26/01/463282601.db2.gz AXKMBZDNOQKBKW-UKRRQHHQSA-N 0 0 337.445 2.174 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccncc1F ZINC000096485652 463283549 /nfs/dbraw/zinc/28/35/49/463283549.db2.gz ZQUHABDYVHWWIZ-AWEZNQCLSA-N 0 0 331.322 2.285 40 0 EEABRN CC(=O)NC(C)(C)c1noc(-c2ccc(OCC(F)F)nc2)n1 ZINC000096485566 463284046 /nfs/dbraw/zinc/28/40/46/463284046.db2.gz JBDRBRLBKSOHOJ-UHFFFAOYSA-N 0 0 326.303 2.147 40 0 EEABRN C[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000096490780 463286828 /nfs/dbraw/zinc/28/68/28/463286828.db2.gz BOUGOURLHCHXOR-SJCJKPOMSA-N 0 0 339.374 2.284 40 0 EEABRN CS[C@@H]1CC[C@@H](N(C)C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000096490264 463286925 /nfs/dbraw/zinc/28/69/25/463286925.db2.gz GJARUSUSZWMTIE-GHMZBOCLSA-N 0 0 337.470 2.421 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000096494026 463288109 /nfs/dbraw/zinc/28/81/09/463288109.db2.gz HCHOCOOQTMFWHQ-INIZCTEOSA-N 0 0 328.416 2.180 40 0 EEABRN Cn1cc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000096500856 463291446 /nfs/dbraw/zinc/29/14/46/463291446.db2.gz UMDXVKMHDSMFTJ-CQSZACIVSA-N 0 0 338.333 2.112 40 0 EEABRN CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000096502786 463292826 /nfs/dbraw/zinc/29/28/26/463292826.db2.gz JAYYPBPZWUPKLI-INIZCTEOSA-N 0 0 328.416 2.317 40 0 EEABRN COc1cc(Br)ccc1CCCN1CCO[C@@H](CO)C1 ZINC000096501998 463293357 /nfs/dbraw/zinc/29/33/57/463293357.db2.gz YBGDEDLLHZSUEH-CQSZACIVSA-N 0 0 344.249 2.083 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000096658934 463294822 /nfs/dbraw/zinc/29/48/22/463294822.db2.gz XBLZAFRTMLCNSF-UHFFFAOYSA-N 0 0 332.425 2.190 40 0 EEABRN O=C(c1ccccc1)N(CCN1CCOCC1)C(=O)c1ccccc1 ZINC000031923586 463358930 /nfs/dbraw/zinc/35/89/30/463358930.db2.gz OQULQWAEWQWXJF-UHFFFAOYSA-N 0 0 338.407 2.301 40 0 EEABRN Nc1nn(CC(=O)c2ccc(F)cc2)c(=S)n1Nc1ccco1 ZINC000036625676 463437713 /nfs/dbraw/zinc/43/77/13/463437713.db2.gz ULJMNXPEPSOZTA-UHFFFAOYSA-N 0 0 333.348 2.486 40 0 EEABRN CCS(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@@H]2C1 ZINC000036740022 463439086 /nfs/dbraw/zinc/43/90/86/463439086.db2.gz WPZKDGBMMCTGQG-MAZHCROVSA-N 0 0 327.421 2.095 40 0 EEABRN COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000072227910 463484623 /nfs/dbraw/zinc/48/46/23/463484623.db2.gz XEFOBVBEPYTFBK-JKSUJKDBSA-N 0 0 346.770 2.493 40 0 EEABRN Nc1cc2ccccc2nc1C1CCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000072341835 463509333 /nfs/dbraw/zinc/50/93/33/463509333.db2.gz YYGYXDDXPWXCNN-INIZCTEOSA-N 0 0 342.468 2.186 40 0 EEABRN C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000042054512 463537035 /nfs/dbraw/zinc/53/70/35/463537035.db2.gz WUFKKHYBHCRSIK-RYUDHWBXSA-N 0 0 330.384 2.439 40 0 EEABRN O=C(NCc1nc(-c2cccs2)no1)[C@H]1COc2ccccc2O1 ZINC000058289559 463569535 /nfs/dbraw/zinc/56/95/35/463569535.db2.gz VZFBGGOJNXHTIB-GFCCVEGCSA-N 0 0 343.364 2.254 40 0 EEABRN CSc1nnc(C)n1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000107615747 463576178 /nfs/dbraw/zinc/57/61/78/463576178.db2.gz UGVFBVYAPGLRSQ-UHFFFAOYSA-N 0 0 326.809 2.419 40 0 EEABRN COc1ccc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c(Cl)c1 ZINC000084490339 463607147 /nfs/dbraw/zinc/60/71/47/463607147.db2.gz JYMNMXUWXLYTSK-ZDUSSCGKSA-N 0 0 347.802 2.200 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108531643 463610449 /nfs/dbraw/zinc/61/04/49/463610449.db2.gz STIPXWNAOJMLCU-ILXRZTDVSA-N 0 0 330.432 2.085 40 0 EEABRN CS(=O)(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)OCO2 ZINC000043927374 463661432 /nfs/dbraw/zinc/66/14/32/463661432.db2.gz NWVJRPZXVIKFLY-UHFFFAOYSA-N 0 0 348.380 2.141 40 0 EEABRN Cn1nc(C(=O)N2CCc3sccc3C2)c2ccccc2c1=O ZINC000044894699 463699095 /nfs/dbraw/zinc/69/90/95/463699095.db2.gz FZMXPEBGLVLTKU-UHFFFAOYSA-N 0 0 325.393 2.194 40 0 EEABRN Cn1cc(-c2cc(CN3CCO[C@@H](c4nccs4)C3)on2)cn1 ZINC000185002050 463734367 /nfs/dbraw/zinc/73/43/67/463734367.db2.gz VGVUXKJABJSCIR-CQSZACIVSA-N 0 0 331.401 2.105 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257220878 463756641 /nfs/dbraw/zinc/75/66/41/463756641.db2.gz DMOKMBSXTMLPFV-MRXNPFEDSA-N 0 0 347.382 2.368 40 0 EEABRN Cc1cnc(-c2cc(C)nc([C@@H]3CCCN3S(C)(=O)=O)n2)s1 ZINC000257280939 463760241 /nfs/dbraw/zinc/76/02/41/463760241.db2.gz OMZSGYBAYMWZDU-LBPRGKRZSA-N 0 0 338.458 2.313 40 0 EEABRN Cc1ccnc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257283635 463761424 /nfs/dbraw/zinc/76/14/24/463761424.db2.gz OZDBACLTJBZQIX-GOSISDBHSA-N 0 0 337.423 2.416 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cscn2)nc1 ZINC000257284698 463761549 /nfs/dbraw/zinc/76/15/49/463761549.db2.gz PDWANYFKRRDTLS-HNNXBMFYSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1cc(N(C)C2CC3(C2)CCN(C(=O)[C@@H]2CCCCO2)C3)ncn1 ZINC000257285184 463762040 /nfs/dbraw/zinc/76/20/40/463762040.db2.gz PFZLMPGKPZIMJS-WUJZJPHMSA-N 0 0 344.459 2.171 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)CCN3CCc4ccccc43)CCO2)n1 ZINC000257288954 463762607 /nfs/dbraw/zinc/76/26/07/463762607.db2.gz PWKKDIGRWJHSJL-KRWDZBQOSA-N 0 0 340.427 2.071 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)ccn1 ZINC000257297479 463766788 /nfs/dbraw/zinc/76/67/88/463766788.db2.gz RHKBGVZHNWCNLE-MRXNPFEDSA-N 0 0 327.432 2.140 40 0 EEABRN CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000257304833 463770691 /nfs/dbraw/zinc/77/06/91/463770691.db2.gz SNIXHIQRUBDPTE-HNNXBMFYSA-N 0 0 349.460 2.155 40 0 EEABRN O=C(CCCn1cccn1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257315660 463774672 /nfs/dbraw/zinc/77/46/72/463774672.db2.gz VCIBEZKEIRUXAK-OAHLLOKOSA-N 0 0 329.404 2.011 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCN2C)cc1 ZINC000257317464 463774863 /nfs/dbraw/zinc/77/48/63/463774863.db2.gz VJVKSXUWNRSMNE-GOSISDBHSA-N 0 0 342.443 2.106 40 0 EEABRN O=C(CCc1cccs1)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257321007 463776983 /nfs/dbraw/zinc/77/69/83/463776983.db2.gz VZRJPCWBFRHDKR-HNNXBMFYSA-N 0 0 331.441 2.331 40 0 EEABRN Cc1ccc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)s1 ZINC000257326918 463779756 /nfs/dbraw/zinc/77/97/56/463779756.db2.gz WZCVHTLWCNPJFQ-QGZVFWFLSA-N 0 0 331.441 2.213 40 0 EEABRN CC(=O)NCc1cncc([C@@H]2CCCN2Cc2ccnn2C(C)C)n1 ZINC000257337574 463784027 /nfs/dbraw/zinc/78/40/27/463784027.db2.gz YTJMDLOKILPPTA-SFHVURJKSA-N 0 0 342.447 2.227 40 0 EEABRN Cc1nccc(CN2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)n1 ZINC000257340305 463785733 /nfs/dbraw/zinc/78/57/33/463785733.db2.gz ZFKVLFQVFJNHNY-GOSISDBHSA-N 0 0 341.459 2.080 40 0 EEABRN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000194082030 463787195 /nfs/dbraw/zinc/78/71/95/463787195.db2.gz KXMNKMJVNPSBJQ-WWGRRREGSA-N 0 0 338.473 2.096 40 0 EEABRN CC(=O)N1CCC[C@@H](c2cnc(-n3c4ccccc4oc3=O)cn2)C1 ZINC000257342186 463788026 /nfs/dbraw/zinc/78/80/26/463788026.db2.gz ZNLVBNKCGHNCMI-CYBMUJFWSA-N 0 0 338.367 2.100 40 0 EEABRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000194282759 463827533 /nfs/dbraw/zinc/82/75/33/463827533.db2.gz WKRXXMJHSDKOPK-LJQANCHMSA-N 0 0 343.427 2.315 40 0 EEABRN CCN(c1cccnc1)S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000171708157 463910771 /nfs/dbraw/zinc/91/07/71/463910771.db2.gz CWBUFPDYFLZNEM-UHFFFAOYSA-N 0 0 334.397 2.225 40 0 EEABRN O=C(NCc1nc(COc2ccccc2)n[nH]1)c1[nH]nc2ccccc21 ZINC000186644779 464040743 /nfs/dbraw/zinc/04/07/43/464040743.db2.gz KWJFTTVUMCFEGB-UHFFFAOYSA-N 0 0 348.366 2.190 40 0 EEABRN CC[C@H](NCc1sccc1Br)C(=O)N1CCOCC1 ZINC000195564559 464077891 /nfs/dbraw/zinc/07/78/91/464077891.db2.gz YSRLCHFEVNDCMG-NSHDSACASA-N 0 0 347.278 2.238 40 0 EEABRN CCCc1n[nH]cc1C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000195567357 464078801 /nfs/dbraw/zinc/07/88/01/464078801.db2.gz LPDWRLPXULFFNC-UHFFFAOYSA-N 0 0 337.383 2.279 40 0 EEABRN CCN(C1CC1)S(=O)(=O)c1c(C)nn(CC[C@H]2CCCO2)c1C ZINC000195576609 464080532 /nfs/dbraw/zinc/08/05/32/464080532.db2.gz KWQUBOGKKNLHIQ-OAHLLOKOSA-N 0 0 341.477 2.242 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1)n1cccn1 ZINC000220763190 464120005 /nfs/dbraw/zinc/12/00/05/464120005.db2.gz BLUDSYTXOIZXKV-QWHCGFSZSA-N 0 0 329.404 2.186 40 0 EEABRN Cc1cnc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 ZINC000172724903 464135783 /nfs/dbraw/zinc/13/57/83/464135783.db2.gz MHYSTPHEXAXRHL-OAHLLOKOSA-N 0 0 343.452 2.425 40 0 EEABRN Cc1ccc2oc(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cc2n1 ZINC000172760133 464138558 /nfs/dbraw/zinc/13/85/58/464138558.db2.gz SYLLPBHCMIBQGF-CYBMUJFWSA-N 0 0 339.399 2.269 40 0 EEABRN COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000224890421 464152473 /nfs/dbraw/zinc/15/24/73/464152473.db2.gz CADAQRAUAYFHBL-UHFFFAOYSA-N 0 0 334.397 2.479 40 0 EEABRN COc1ccc(CCC(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)cc1 ZINC000225424103 464158550 /nfs/dbraw/zinc/15/85/50/464158550.db2.gz USUKKKDWWURMOQ-KRWDZBQOSA-N 0 0 341.411 2.406 40 0 EEABRN Cc1csc(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c1Br ZINC000225414399 464158718 /nfs/dbraw/zinc/15/87/18/464158718.db2.gz ZZXSZNJXTRUYED-JGVFFNPUSA-N 0 0 331.235 2.203 40 0 EEABRN CN(C)c1ccc(O[C@@H]2CCN(C(=O)CCC3CCCC3)C2)nn1 ZINC000225444141 464161564 /nfs/dbraw/zinc/16/15/64/464161564.db2.gz BLUCIQPTIIIOTJ-OAHLLOKOSA-N 0 0 332.448 2.493 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225468702 464162631 /nfs/dbraw/zinc/16/26/31/464162631.db2.gz TXDHELAMQQQOQV-CQSZACIVSA-N 0 0 330.388 2.084 40 0 EEABRN COc1ccccc1CN1CC[C@@H](CO)N(C)c2cccnc2C1 ZINC000225496205 464166536 /nfs/dbraw/zinc/16/65/36/464166536.db2.gz FCTSLMBSVZCKQV-INIZCTEOSA-N 0 0 327.428 2.293 40 0 biogenic,in-vitro EEABRN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1cccnc1OC(C)C)CC2 ZINC000225520902 464168088 /nfs/dbraw/zinc/16/80/88/464168088.db2.gz DTFOHWJLNJXNEE-ZDUSSCGKSA-N 0 0 328.416 2.322 40 0 EEABRN COc1ccc(CCNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)cc1OC ZINC000225517272 464168122 /nfs/dbraw/zinc/16/81/22/464168122.db2.gz LIYPRXCUTSRKNK-CQSZACIVSA-N 0 0 343.427 2.199 40 0 EEABRN Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccnn3C)co2)cc1 ZINC000225571388 464172207 /nfs/dbraw/zinc/17/22/07/464172207.db2.gz SEYPISWRTRCILR-UHFFFAOYSA-N 0 0 331.397 2.499 40 0 EEABRN O=S(=O)([C@H]1CCN(c2ccnc3c(F)cccc23)C1)N1CCCC1 ZINC000225590806 464173687 /nfs/dbraw/zinc/17/36/87/464173687.db2.gz LCHRWTGSZCUBBR-ZDUSSCGKSA-N 0 0 349.431 2.378 40 0 EEABRN COc1ncc(Cl)c(N2CCC(CN3CCCCC3=O)CC2)n1 ZINC000225595842 464175403 /nfs/dbraw/zinc/17/54/03/464175403.db2.gz KAQDMHQHJWMWKW-UHFFFAOYSA-N 0 0 338.839 2.368 40 0 EEABRN COc1cccc(C(=O)Nc2cc(N)ccc2N2CCOCC2)c1 ZINC000226252855 464182766 /nfs/dbraw/zinc/18/27/66/464182766.db2.gz YAVGAZUTRHFMQR-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1cnc(C)c(C)c1=O ZINC000188288637 464245929 /nfs/dbraw/zinc/24/59/29/464245929.db2.gz JWVMXMUMRCLWRB-AWEZNQCLSA-N 0 0 331.441 2.458 40 0 EEABRN Cc1nc(C(=O)N2CC[C@@H](c3noc(C(F)(F)F)n3)C2)cs1 ZINC000238818417 464438152 /nfs/dbraw/zinc/43/81/52/464438152.db2.gz CALABLSDWGIKNS-SSDOTTSWSA-N 0 0 332.307 2.483 40 0 EEABRN O=C(CN[C@@H](c1nc[nH]n1)c1ccccc1)Nc1cccc(F)c1 ZINC000241515558 464453164 /nfs/dbraw/zinc/45/31/64/464453164.db2.gz OGGCIPXFQKGBII-MRXNPFEDSA-N 0 0 325.347 2.262 40 0 EEABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O ZINC000243866838 464459318 /nfs/dbraw/zinc/45/93/18/464459318.db2.gz RKNKZSTWMUPGKO-QWHCGFSZSA-N 0 0 336.819 2.297 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1nnc2n1CCC2 ZINC000245344022 464471363 /nfs/dbraw/zinc/47/13/63/464471363.db2.gz WYQBKIOQHUYEQB-FAAHXZRKSA-N 0 0 347.463 2.034 40 0 EEABRN CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC000272181489 464508916 /nfs/dbraw/zinc/50/89/16/464508916.db2.gz CXOQIDXLGUXQDO-UHFFFAOYSA-N 0 0 333.819 2.062 40 0 EEABRN COc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1 ZINC000265388492 464541342 /nfs/dbraw/zinc/54/13/42/464541342.db2.gz NJHXJSSSUNGDJR-UHFFFAOYSA-N 0 0 343.383 2.272 40 0 EEABRN Cc1cc(C)c(N2CC[C@H](NC(=O)C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000189914663 464562453 /nfs/dbraw/zinc/56/24/53/464562453.db2.gz ITDZDXSMJHRODA-HOTGVXAUSA-N 0 0 330.428 2.402 40 0 EEABRN COC(=O)Cc1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)n1 ZINC000190109405 464598244 /nfs/dbraw/zinc/59/82/44/464598244.db2.gz ZNJGAWGYAJRQBM-INIZCTEOSA-N 0 0 340.379 2.440 40 0 EEABRN Cc1cccc(CNC(=O)N2CCC[C@@H]2CO)c1Br ZINC000190497627 464659670 /nfs/dbraw/zinc/65/96/70/464659670.db2.gz XSWFIGFZAVICCL-GFCCVEGCSA-N 0 0 327.222 2.424 40 0 EEABRN O=C(c1ccoc1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 ZINC000247805916 464708472 /nfs/dbraw/zinc/70/84/72/464708472.db2.gz BCBCNKGAVUPAJU-JQFCIGGWSA-N 0 0 328.368 2.231 40 0 EEABRN Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N(C)C)CS2 ZINC000247992404 464720908 /nfs/dbraw/zinc/72/09/08/464720908.db2.gz LSPPGQCNFHAHNS-ZDUSSCGKSA-N 0 0 340.514 2.221 40 0 EEABRN O=C(Cc1cnc2ccccc2c1)N1CCC(Cn2cncn2)CC1 ZINC000190833835 464729388 /nfs/dbraw/zinc/72/93/88/464729388.db2.gz QQHKXDTZLPYPKE-UHFFFAOYSA-N 0 0 335.411 2.308 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000248107326 464729717 /nfs/dbraw/zinc/72/97/17/464729717.db2.gz GGVJOCLQGXHFCD-CYBMUJFWSA-N 0 0 329.425 2.199 40 0 EEABRN CC(=O)c1ccc(NC2CCN(S(=O)(=O)CC(C)C)CC2)nc1 ZINC000183089518 464794672 /nfs/dbraw/zinc/79/46/72/464794672.db2.gz QHINIGDNTXEWGV-UHFFFAOYSA-N 0 0 339.461 2.146 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCOC1 ZINC000252477315 464959726 /nfs/dbraw/zinc/95/97/26/464959726.db2.gz LUXDIXOOMWLCFI-STQMWFEESA-N 0 0 340.370 2.410 40 0 EEABRN CC(C)CCc1cc(NC(=O)c2cncc(-n3ccnn3)c2)n[nH]1 ZINC000252483448 464961865 /nfs/dbraw/zinc/96/18/65/464961865.db2.gz FBTUBSADFOSUEG-UHFFFAOYSA-N 0 0 325.376 2.226 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@@H](C)c3ccccc3)c2C)no1 ZINC000252482854 464962377 /nfs/dbraw/zinc/96/23/77/464962377.db2.gz DPDFIUPWECLBSN-JTQLQIEISA-N 0 0 341.375 2.209 40 0 EEABRN CCOc1ccccc1CCNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000252493129 464968478 /nfs/dbraw/zinc/96/84/78/464968478.db2.gz MZVBCEBYBUFABU-MRXNPFEDSA-N 0 0 345.443 2.128 40 0 EEABRN O=C(c1ccc(S(=O)(=O)NCCc2ccco2)cc1)N1CCCC1 ZINC000252498311 464970556 /nfs/dbraw/zinc/97/05/56/464970556.db2.gz QYBFJZUHIOWIII-UHFFFAOYSA-N 0 0 348.424 2.037 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H](C)N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000192679453 464975841 /nfs/dbraw/zinc/97/58/41/464975841.db2.gz VJORDCYGJFQXIY-CQSZACIVSA-N 0 0 328.416 2.075 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN(c3ncccc3Cl)CC2)n1 ZINC000192678655 464975894 /nfs/dbraw/zinc/97/58/94/464975894.db2.gz OTRFUMULOBVZEB-LBPRGKRZSA-N 0 0 333.823 2.422 40 0 EEABRN COC(=O)[C@@H](CNC(=O)Cc1c(C)noc1C)c1ccc(F)cc1 ZINC000192713829 464982971 /nfs/dbraw/zinc/98/29/71/464982971.db2.gz YLKKHKOIYSQRPZ-HNNXBMFYSA-N 0 0 334.347 2.046 40 0 EEABRN COC(=O)c1cn([C@@H]2CCN(Cc3cnc(C(C)(C)C)s3)C2)nn1 ZINC000253419103 465007969 /nfs/dbraw/zinc/00/79/69/465007969.db2.gz IJFQWKVMOAGHEH-LLVKDONJSA-N 0 0 349.460 2.266 40 0 EEABRN CCOC(=O)c1csc(N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)n1 ZINC000253427361 465011421 /nfs/dbraw/zinc/01/14/21/465011421.db2.gz YWIGTUJVVFCMFZ-SNVBAGLBSA-N 0 0 348.428 2.136 40 0 EEABRN COCc1cccc(CC(=O)N2CC(=O)Nc3c(F)cccc32)c1 ZINC000253432919 465014992 /nfs/dbraw/zinc/01/49/92/465014992.db2.gz PVSKHOPLKKIXAB-UHFFFAOYSA-N 0 0 328.343 2.500 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1Cl ZINC000253473518 465016361 /nfs/dbraw/zinc/01/63/61/465016361.db2.gz VSSHXGLTDBGVAA-DFBGVHRSSA-N 0 0 345.848 2.263 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000330096276 465531024 /nfs/dbraw/zinc/53/10/24/465531024.db2.gz XBYZWKLRJDQGOL-IBGZPJMESA-N 0 0 334.379 2.391 40 0 EEABRN CCC(=O)N1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 ZINC000306127173 466489943 /nfs/dbraw/zinc/48/99/43/466489943.db2.gz FQMOJXFOTDLISE-LSDHHAIUSA-N 0 0 344.440 2.071 40 0 EEABRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000408602039 466682042 /nfs/dbraw/zinc/68/20/42/466682042.db2.gz AAFCPNNBBNDDMZ-OAHLLOKOSA-N 0 0 347.440 2.077 40 0 EEABRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000408733218 466683524 /nfs/dbraw/zinc/68/35/24/466683524.db2.gz GKEQSTZZVHEXKT-FVCZOJIISA-N 0 0 335.359 2.035 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)COc3ccccc3C)C2)n1 ZINC000390828036 467412232 /nfs/dbraw/zinc/41/22/32/467412232.db2.gz NUTINKIXGPLXOY-INIZCTEOSA-N 0 0 341.411 2.461 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)no1 ZINC000390831774 467413283 /nfs/dbraw/zinc/41/32/83/467413283.db2.gz UUXOXHDROODIMG-ZDUSSCGKSA-N 0 0 340.426 2.047 40 0 EEABRN CS(=O)(=O)[C@H]1CSCCN1C(=O)Cc1cccc(C(F)F)c1 ZINC000390834195 467413940 /nfs/dbraw/zinc/41/39/40/467413940.db2.gz UKMLHLIDEPZNFX-ZDUSSCGKSA-N 0 0 349.424 2.113 40 0 EEABRN CC(C)Oc1ccc(C(=O)Nc2ccc(C(F)(F)F)nn2)nc1 ZINC000436038605 467510587 /nfs/dbraw/zinc/51/05/87/467510587.db2.gz CLTUCPVQWFWNNC-UHFFFAOYSA-N 0 0 326.278 2.930 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccco2)C1 ZINC000575403678 468141939 /nfs/dbraw/zinc/14/19/39/468141939.db2.gz JEMOLKXTNYJOOJ-INIZCTEOSA-N 0 0 344.415 2.112 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)CC4CC4)C3)C2)c1 ZINC000575405549 468141946 /nfs/dbraw/zinc/14/19/46/468141946.db2.gz UJTZDKHNUVRMQV-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 ZINC000575406277 468142738 /nfs/dbraw/zinc/14/27/38/468142738.db2.gz MZYGCYNCZTUHPW-OAHLLOKOSA-N 0 0 344.415 2.112 40 0 EEABRN O=C(NC[C@H]1CCS(=O)(=O)C1)Oc1ccc(-n2cccc2)cc1 ZINC000575424345 468143956 /nfs/dbraw/zinc/14/39/56/468143956.db2.gz KAGRMDGYYABITK-CYBMUJFWSA-N 0 0 334.397 2.000 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1cccs1)n1cccn1 ZINC000575605100 468145450 /nfs/dbraw/zinc/14/54/50/468145450.db2.gz LAZOVMVDSPOBBA-ZDUSSCGKSA-N 0 0 329.429 2.314 40 0 EEABRN Cc1cccc(O[C@@H](C)C(=O)NCCn2cnc(C3CC3)cc2=O)c1 ZINC000575603801 468145525 /nfs/dbraw/zinc/14/55/25/468145525.db2.gz KWAOMMUNVIBSHN-AWEZNQCLSA-N 0 0 341.411 2.013 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2ccnc(C)n2)C1 ZINC000575604733 468145723 /nfs/dbraw/zinc/14/57/23/468145723.db2.gz DWDXQBGHOVGQNV-HNNXBMFYSA-N 0 0 344.415 2.392 40 0 EEABRN Cc1nccc(O[C@@H]2CCCN(C(=O)CSc3ccncc3)C2)n1 ZINC000575607328 468146532 /nfs/dbraw/zinc/14/65/32/468146532.db2.gz ZUDYVUKXVIEPNM-CQSZACIVSA-N 0 0 344.440 2.342 40 0 EEABRN CC(C)[C@@H](Cn1ccnn1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000575606724 468146641 /nfs/dbraw/zinc/14/66/41/468146641.db2.gz FCLKAWITCAWITK-LLVKDONJSA-N 0 0 327.310 2.147 40 0 EEABRN FC(F)(F)c1cc(N2CCN(c3ncc(Cl)cn3)CC2)ncn1 ZINC000575616439 468150265 /nfs/dbraw/zinc/15/02/65/468150265.db2.gz LGBWTQBGTKGBLG-UHFFFAOYSA-N 0 0 344.728 2.265 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093097 468962489 /nfs/dbraw/zinc/96/24/89/468962489.db2.gz BVKSCOXGFDFMRK-KRWDZBQOSA-N 0 0 345.349 2.222 40 0 EEABRN Cc1cccc(COCC[C@H]2CO[C@H]3CN(C(=O)C(C)C)C[C@@H]23)n1 ZINC000585094050 468963378 /nfs/dbraw/zinc/96/33/78/468963378.db2.gz YFSDAPOSMPQTII-SZMVWBNQSA-N 0 0 332.444 2.426 40 0 EEABRN C[C@H]1c2nnc(COc3ccccn3)n2CCN1CC1CCOCC1 ZINC000585097683 468965268 /nfs/dbraw/zinc/96/52/68/468965268.db2.gz PKZOJOKYGXTYGV-AWEZNQCLSA-N 0 0 343.431 2.055 40 0 EEABRN O=C(Nc1ccc(Cn2cccn2)cc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000585123628 468981127 /nfs/dbraw/zinc/98/11/27/468981127.db2.gz POPORAXJEPTQJO-USXIJHARSA-N 0 0 326.400 2.309 40 0 EEABRN CCO/C=C/[C@](O)(CNC(=O)Nc1cccc(C)n1)C(F)(F)F ZINC000585140366 468989251 /nfs/dbraw/zinc/98/92/51/468989251.db2.gz CDIRMPPRMAFDKC-GWJCSSMESA-N 0 0 333.310 2.355 40 0 EEABRN CCCCNC(=O)[C@H](C)N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000585141447 468990526 /nfs/dbraw/zinc/99/05/26/468990526.db2.gz VYZMLZNMKFKJRV-AWEZNQCLSA-N 0 0 339.505 2.126 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2ncccn2)C1 ZINC000585269399 468997947 /nfs/dbraw/zinc/99/79/47/468997947.db2.gz RZIWVEGDGUIZKM-SFHVURJKSA-N 0 0 327.384 2.177 40 0 EEABRN O=C(Cc1ccccc1F)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585273374 468998652 /nfs/dbraw/zinc/99/86/52/468998652.db2.gz TVFADPUYTGIIFB-FQEVSTJZSA-N 0 0 343.398 2.201 40 0 EEABRN Cc1nccn1CCCC(=O)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585275573 468999290 /nfs/dbraw/zinc/99/92/90/468999290.db2.gz GWGQQZYKNIXOSH-IBGZPJMESA-N 0 0 343.427 2.014 40 0 EEABRN CCCn1nccc1C(=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585275721 468999404 /nfs/dbraw/zinc/99/94/04/468999404.db2.gz GITGBZYHSLFMJK-CRAIPNDOSA-N 0 0 345.418 2.498 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585272156 468999744 /nfs/dbraw/zinc/99/97/44/468999744.db2.gz LQAXBDFEPNRQOX-FQEVSTJZSA-N 0 0 343.398 2.201 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cnn(C)c2)C1 ZINC000585276386 469000305 /nfs/dbraw/zinc/00/03/05/469000305.db2.gz JEJRVZWDLIGIJT-GOSISDBHSA-N 0 0 347.390 2.259 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000585276554 469000315 /nfs/dbraw/zinc/00/03/15/469000315.db2.gz BIXAUOXXNLNARK-OAHLLOKOSA-N 0 0 332.391 2.085 40 0 EEABRN CO[C@]1(CCC(N)=O)CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000585276550 469000847 /nfs/dbraw/zinc/00/08/47/469000847.db2.gz BIXAUOXXNLNARK-HNNXBMFYSA-N 0 0 332.391 2.085 40 0 EEABRN Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3cccn3C)C2)c1 ZINC000585277099 469002360 /nfs/dbraw/zinc/00/23/60/469002360.db2.gz LGFJHFXNIKYRQR-LJQANCHMSA-N 0 0 328.412 2.380 40 0 EEABRN CO[C@]1(COc2ccccc2)CCCN(C(=O)c2ncccc2O)C1 ZINC000585277185 469002446 /nfs/dbraw/zinc/00/24/46/469002446.db2.gz MYFSNGBXKSJLNL-LJQANCHMSA-N 0 0 342.395 2.487 40 0 EEABRN CNc1cnc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)nc1 ZINC000585277862 469003156 /nfs/dbraw/zinc/00/31/56/469003156.db2.gz WVZANMSZVZORDB-IRXDYDNUSA-N 0 0 340.427 2.035 40 0 EEABRN CCCn1cc(CN2CCO[C@](CO)(Cc3ccc(C)cc3)C2)cn1 ZINC000585278325 469003675 /nfs/dbraw/zinc/00/36/75/469003675.db2.gz RVPRGERLGUXTMY-HXUWFJFHSA-N 0 0 343.471 2.408 40 0 EEABRN C/C=C/C(=O)N1C[C@@H](OC)[C@@]2(C[C@H](c3cccc(OC)c3)CO2)C1 ZINC000585287874 469009066 /nfs/dbraw/zinc/00/90/66/469009066.db2.gz GLWOJDWXCSEDMS-AYQCRTDRSA-N 0 0 331.412 2.371 40 0 EEABRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cccn(C)c1=O ZINC000096446222 500932685 /nfs/dbraw/zinc/93/26/85/500932685.db2.gz BQUUMYKCVOZSAH-OIRASMEMSA-N 0 0 347.440 2.348 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000135020286 533771583 /nfs/dbraw/zinc/77/15/83/533771583.db2.gz YMANFOIBWISWOY-CJNGLKHVSA-N 0 0 340.851 2.454 40 0 EEABRN COc1ccccc1CN(C1CC1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000171959490 534063744 /nfs/dbraw/zinc/06/37/44/534063744.db2.gz ZWUXNLFNBXTINY-CYBMUJFWSA-N 0 0 325.430 2.026 40 0 EEABRN Cc1nscc1C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000181918501 534518007 /nfs/dbraw/zinc/51/80/07/534518007.db2.gz ZZRBDCHBPIDNHE-UHFFFAOYSA-N 0 0 333.413 2.388 40 0 EEABRN O=C(COc1ccc(F)cc1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000130973496 534622444 /nfs/dbraw/zinc/62/24/44/534622444.db2.gz DORISOZOHBPURF-HNNXBMFYSA-N 0 0 329.375 2.385 40 0 EEABRN O=C(N[C@H]1CCCc2sccc21)N1CCN(c2cnccn2)CC1 ZINC000136616442 534805805 /nfs/dbraw/zinc/80/58/05/534805805.db2.gz COLCRRMPOZRJNL-AWEZNQCLSA-N 0 0 343.456 2.447 40 0 EEABRN Cc1ccc(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)nn1 ZINC000096119445 525374079 /nfs/dbraw/zinc/37/40/79/525374079.db2.gz NFGDCDDXOHUEMR-UHFFFAOYSA-N 0 0 328.372 2.334 40 0 EEABRN CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408709236 528140616 /nfs/dbraw/zinc/14/06/16/528140616.db2.gz QJXUYDXVLWQEAN-UHFFFAOYSA-N 0 0 331.416 2.214 40 0 EEABRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000189838503 528735148 /nfs/dbraw/zinc/73/51/48/528735148.db2.gz JBPQZPPCKFMOOG-LBPRGKRZSA-N 0 0 348.296 2.096 40 0 EEABRN CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCCC2)n1 ZINC000225881495 535451490 /nfs/dbraw/zinc/45/14/90/535451490.db2.gz QUVCEAQHYIRDGR-UHFFFAOYSA-N 0 0 334.493 2.373 40 0 EEABRN CC[C@](O)(C(=O)N[C@@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000253397587 535877916 /nfs/dbraw/zinc/87/79/16/535877916.db2.gz XLUHADBIYYSNLK-ZMSDIMECSA-N 0 0 341.835 2.248 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)on1 ZINC000257200288 536106502 /nfs/dbraw/zinc/10/65/02/536106502.db2.gz ACTNPWRQXYMIIF-GFCCVEGCSA-N 0 0 329.404 2.094 40 0 EEABRN CN1C(=O)CCC[C@H]2CN(C(=O)CCOc3ccccc3)CC[C@H]21 ZINC000257261737 536306942 /nfs/dbraw/zinc/30/69/42/536306942.db2.gz LIPKLDGTKKXNLB-DOTOQJQBSA-N 0 0 330.428 2.315 40 0 EEABRN COC(=O)Cc1ccccc1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000225804823 536369555 /nfs/dbraw/zinc/36/95/55/536369555.db2.gz NIRHUFHLJDOUHR-GFCCVEGCSA-N 0 0 343.427 2.113 40 0 EEABRN CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CCCc3cccnc32)n1 ZINC000241738540 536521464 /nfs/dbraw/zinc/52/14/64/536521464.db2.gz QYJGDTFPADCDQE-DGCLKSJQSA-N 0 0 330.388 2.251 40 0 EEABRN C[C@@H]1CC=C[C@H](O)[C@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000585660597 792922820 /nfs/dbraw/zinc/92/28/20/792922820.db2.gz NHAQNKDEUQPSIX-DFBGVHRSSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c(F)cncc1F ZINC000929965403 798106500 /nfs/dbraw/zinc/10/65/00/798106500.db2.gz URDBNOHCKKFSLQ-SNVBAGLBSA-N 0 0 341.383 2.200 40 0 EEABRN O=C(N[C@H]1CCc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000053476974 214184855 /nfs/dbraw/zinc/18/48/55/214184855.db2.gz DLDVOWGVJNBEHV-ZWKOTPCHSA-N 0 0 333.395 2.261 40 0 EEABRN Cn1cc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000053351324 214177871 /nfs/dbraw/zinc/17/78/71/214177871.db2.gz RXBPREGMHGJOIT-UHFFFAOYSA-N 0 0 346.818 2.108 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCCCCC2)cc1 ZINC000004435731 210192226 /nfs/dbraw/zinc/19/22/26/210192226.db2.gz XCUTUOGHOBWCRI-UHFFFAOYSA-N 0 0 338.473 2.456 40 0 EEABRN Cc1nnc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)s1 ZINC000004374684 210183388 /nfs/dbraw/zinc/18/33/88/210183388.db2.gz GPLLWTOHDZTDDU-UHFFFAOYSA-N 0 0 332.433 2.108 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-] ZINC000004280163 210160525 /nfs/dbraw/zinc/16/05/25/210160525.db2.gz XWCPHFHMHSVSSQ-OCCSQVGLSA-N 0 0 340.807 2.199 40 0 EEABRN C[C@@H]1[C@H]2[C@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C ZINC000004025147 210102040 /nfs/dbraw/zinc/10/20/40/210102040.db2.gz UNJZVKFTIFAQTA-UAHHPBRNSA-N 0 0 342.443 2.394 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000043417578 213581447 /nfs/dbraw/zinc/58/14/47/213581447.db2.gz JWYMGZGKNFLINA-UHFFFAOYSA-N 0 0 337.401 2.359 40 0 EEABRN O=C(CN1CCc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000068826283 215339065 /nfs/dbraw/zinc/33/90/65/215339065.db2.gz JXIIVSOJGVASOF-UHFFFAOYSA-N 0 0 335.451 2.394 40 0 EEABRN O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000040476664 213313006 /nfs/dbraw/zinc/31/30/06/213313006.db2.gz QRVIXMWPIKLWCZ-UHFFFAOYSA-N 0 0 337.339 2.167 40 0 EEABRN COc1ccc(COCC(=O)N2CCc3ccc(O)cc3[C@H]2C)cn1 ZINC000585123812 539980656 /nfs/dbraw/zinc/98/06/56/539980656.db2.gz AERIXGIOIIREMR-CYBMUJFWSA-N 0 0 342.395 2.458 40 0 EEABRN O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2ccccc2)cc1 ZINC000040166946 213277865 /nfs/dbraw/zinc/27/78/65/213277865.db2.gz LZQPYRUEAPSCKI-JKSUJKDBSA-N 0 0 328.393 2.049 40 0 EEABRN COc1ccc(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)cc1 ZINC000001361727 209731459 /nfs/dbraw/zinc/73/14/59/209731459.db2.gz NIWWOLWGBBNATR-LBPRGKRZSA-N 0 0 326.352 2.448 40 0 EEABRN CC(C)c1noc([C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000038671102 213219400 /nfs/dbraw/zinc/21/94/00/213219400.db2.gz ZJWKWDMTRTUXKJ-GFCCVEGCSA-N 0 0 329.356 2.438 40 0 EEABRN COc1ccc(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000037013503 213130196 /nfs/dbraw/zinc/13/01/96/213130196.db2.gz GPKORTKXLLRQKP-UHFFFAOYSA-N 0 0 334.416 2.431 40 0 EEABRN CN1CCN(CC(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000035311420 213020002 /nfs/dbraw/zinc/02/00/02/213020002.db2.gz LAZHUEZWEZTBIT-UHFFFAOYSA-N 0 0 330.476 2.253 40 0 EEABRN O[C@H](COC1CCOCC1)Cn1nnc2cc(Cl)c(Cl)cc21 ZINC000089585302 237022130 /nfs/dbraw/zinc/02/21/30/237022130.db2.gz KRKWXZKCVLWTDU-VIFPVBQESA-N 0 0 346.214 2.295 40 0 EEABRN CCN1CCN(C(=O)NCc2cccc(OCC(F)F)c2)CC1 ZINC000072084171 216005376 /nfs/dbraw/zinc/00/53/76/216005376.db2.gz KZOIZOKJPZLFPU-UHFFFAOYSA-N 0 0 327.375 2.178 40 0 EEABRN CCn1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339901 216158198 /nfs/dbraw/zinc/15/81/98/216158198.db2.gz RCPGBKKINHNBON-UHFFFAOYSA-N 0 0 336.399 2.019 40 0 EEABRN Cc1c(C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)cnn1C ZINC000072347942 216161050 /nfs/dbraw/zinc/16/10/50/216161050.db2.gz FMNMMDJSIWYZQG-ZDUSSCGKSA-N 0 0 342.378 2.090 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000072355410 216164169 /nfs/dbraw/zinc/16/41/69/216164169.db2.gz CFDCYASTFHZIAA-INIZCTEOSA-N 0 0 348.410 2.006 40 0 EEABRN Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378421 216181985 /nfs/dbraw/zinc/18/19/85/216181985.db2.gz AYNSCROYIVSNSZ-MRXNPFEDSA-N 0 0 334.383 2.343 40 0 EEABRN COc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1 ZINC000000068625 209399637 /nfs/dbraw/zinc/39/96/37/209399637.db2.gz RGMXHRFXVQVUQW-UHFFFAOYSA-N 0 0 345.366 2.377 40 0 EEABRN Cc1nn(C)c(C)c1OC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000072497489 216263171 /nfs/dbraw/zinc/26/31/71/216263171.db2.gz KYJZORNYQFNSIJ-KRWDZBQOSA-N 0 0 343.427 2.233 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)S1 ZINC000073118201 216351495 /nfs/dbraw/zinc/35/14/95/216351495.db2.gz YDWAFPBQTSYAPP-LBPRGKRZSA-N 0 0 328.441 2.417 40 0 EEABRN CN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000023161130 212356961 /nfs/dbraw/zinc/35/69/61/212356961.db2.gz NVRSHHJQCDETGZ-UHFFFAOYSA-N 0 0 346.452 2.056 40 0 EEABRN Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21 ZINC000022234223 212283786 /nfs/dbraw/zinc/28/37/86/212283786.db2.gz WTBVGIDBCXDUDO-UHFFFAOYSA-N 0 0 336.347 2.197 40 0 EEABRN COc1ccc2[nH]c([S@](=O)Cc3[nH]cc(C)c(=O)c3C)nc2c1 ZINC000022060969 212273966 /nfs/dbraw/zinc/27/39/66/212273966.db2.gz VSOAYQZFYNZNKR-QHCPKHFHSA-N 0 0 331.397 2.184 40 0 in-vitro EEABRN CCOc1cccc(S(=O)(=O)N2CCC[C@H](c3nccn3C)C2)c1 ZINC000225712126 241998826 /nfs/dbraw/zinc/99/88/26/241998826.db2.gz JCVUESGSGUWTGN-AWEZNQCLSA-N 0 0 349.456 2.387 40 0 EEABRN CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nn(CC)c1=O ZINC000225964219 242082002 /nfs/dbraw/zinc/08/20/02/242082002.db2.gz UISAWGQFXLSDED-UHFFFAOYSA-N 0 0 332.356 2.124 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 ZINC000226749530 242113097 /nfs/dbraw/zinc/11/30/97/242113097.db2.gz UPQJMSDOXPDAON-MRXNPFEDSA-N 0 0 332.429 2.343 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)NCc3ccco3)nn2)c1 ZINC000227160956 242126074 /nfs/dbraw/zinc/12/60/74/242126074.db2.gz QGRMPERWFSURPD-UHFFFAOYSA-N 0 0 326.356 2.075 40 0 EEABRN CC(C)(C)c1ccc(C(=O)NC(=S)N2CCC(C(N)=O)CC2)cc1 ZINC000226350269 242099405 /nfs/dbraw/zinc/09/94/05/242099405.db2.gz WTIICKPBKRQVKK-UHFFFAOYSA-N 0 0 347.484 2.196 40 0 EEABRN Cc1cnc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000241923318 243006517 /nfs/dbraw/zinc/00/65/17/243006517.db2.gz UEZQTNXBROBMOO-HNNXBMFYSA-N 0 0 327.384 2.152 40 0 EEABRN CNc1nccnc1[C@@H]1CN(C(=O)c2nccc3ccccc32)CCO1 ZINC000257200012 244115177 /nfs/dbraw/zinc/11/51/77/244115177.db2.gz ABQOXMMUDVUEOB-HNNXBMFYSA-N 0 0 349.394 2.280 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc(=O)[nH]2)cc1F ZINC000257217051 244170329 /nfs/dbraw/zinc/17/03/29/244170329.db2.gz CXFKEENPCSAUAU-CQSZACIVSA-N 0 0 331.347 2.236 40 0 EEABRN CC(=O)N[C@]1(C)C[C@@H](c2ccc(O)cc2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257222160 244188046 /nfs/dbraw/zinc/18/80/46/244188046.db2.gz DSECKJBRVQPKMP-RHQZKXFESA-N 0 0 331.412 2.444 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 ZINC000257224054 244196272 /nfs/dbraw/zinc/19/62/72/244196272.db2.gz FADDKGWJSCVLJY-WMZOPIPTSA-N 0 0 335.400 2.114 40 0 EEABRN Cc1ncc(-c2cncc(C[C@H]3CCN(c4ccnc(C)n4)C3)n2)n1C ZINC000257229462 244206066 /nfs/dbraw/zinc/20/60/66/244206066.db2.gz FYFICUBKIDQYHX-OAHLLOKOSA-N 0 0 349.442 2.353 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257231553 244212417 /nfs/dbraw/zinc/21/24/17/244212417.db2.gz GHGAEXQDVIFJPE-QGZVFWFLSA-N 0 0 339.395 2.104 40 0 EEABRN O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H]1CCc1cnccn1 ZINC000257238747 244236040 /nfs/dbraw/zinc/23/60/40/244236040.db2.gz HMJJXKZADRUISM-IBGZPJMESA-N 0 0 337.423 2.439 40 0 EEABRN Cn1nccc1-c1nccnc1C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000257247777 244260557 /nfs/dbraw/zinc/26/05/57/244260557.db2.gz JALPYNLXDHHILQ-CYBMUJFWSA-N 0 0 327.432 2.314 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257251279 244271527 /nfs/dbraw/zinc/27/15/27/244271527.db2.gz JQCFBKAWBCITKI-INIZCTEOSA-N 0 0 341.459 2.313 40 0 EEABRN NC(=O)c1cc(C[C@H]2CCCN(C(=O)C3CCCCC3)CC2)ncn1 ZINC000257266294 244360619 /nfs/dbraw/zinc/36/06/19/244360619.db2.gz MCIBVJHTYKUHNV-AWEZNQCLSA-N 0 0 344.459 2.327 40 0 EEABRN COc1ccc(C(=O)N2C[C@H]3[C@H](CC[C@@H]3Oc3cccnc3)C2)cn1 ZINC000257267601 244368233 /nfs/dbraw/zinc/36/82/33/244368233.db2.gz MIAFAVNKVHLFRC-PVAVHDDUSA-N 0 0 339.395 2.415 40 0 EEABRN CCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)NC)sc2n1 ZINC000257271178 244377390 /nfs/dbraw/zinc/37/73/90/244377390.db2.gz MXDPSGVVRODSLF-NSHDSACASA-N 0 0 332.429 2.312 40 0 EEABRN COCC(=O)N1CCC(c2ccnc(Nc3ccc(C)cn3)n2)CC1 ZINC000257275304 244390654 /nfs/dbraw/zinc/39/06/54/244390654.db2.gz NOUJEIIFAHIYLG-UHFFFAOYSA-N 0 0 341.415 2.276 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H](c3nc(CN(C)C)c[nH]3)C2)cc1F ZINC000257278061 244398727 /nfs/dbraw/zinc/39/87/27/244398727.db2.gz OAPDELKUZNQWLK-INIZCTEOSA-N 0 0 346.406 2.133 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@H](c2cccc(NC)n2)C1 ZINC000257314928 244501680 /nfs/dbraw/zinc/50/16/80/244501680.db2.gz UZEPBVJOVGFGEZ-AWEZNQCLSA-N 0 0 330.388 2.196 40 0 EEABRN CCOC(=O)N1CCC(c2n[nH]c(=O)cc2-c2cc(C)no2)CC1 ZINC000019530594 212039904 /nfs/dbraw/zinc/03/99/04/212039904.db2.gz SSPANAURDOTZPE-UHFFFAOYSA-N 0 0 332.360 2.069 40 0 EEABRN CCc1c(C)nc([C@H]2CCCN2C(=O)c2cccnc2C)[nH]c1=O ZINC000019521603 212036683 /nfs/dbraw/zinc/03/66/83/212036683.db2.gz FRXGSRDMXSHTCK-OAHLLOKOSA-N 0 0 326.400 2.321 40 0 EEABRN CCC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1 ZINC000019498686 212033429 /nfs/dbraw/zinc/03/34/29/212033429.db2.gz RZCPYNMERGYUMR-LBPRGKRZSA-N 0 0 344.390 2.425 40 0 EEABRN C[C@@H](Cn1cncn1)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019457795 212029356 /nfs/dbraw/zinc/02/93/56/212029356.db2.gz SAHQQBYFMJACCU-LSDHHAIUSA-N 0 0 346.406 2.371 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077939518 217003356 /nfs/dbraw/zinc/00/33/56/217003356.db2.gz GBIHROAXDSVTJD-GWCFXTLKSA-N 0 0 344.333 2.311 40 0 EEABRN O=C(CN1CCc2ccccc21)N1[C@@H]2CC[C@H]1Cc1nnsc12 ZINC000019375416 212024303 /nfs/dbraw/zinc/02/43/03/212024303.db2.gz ZHROWZBPKRUEIP-SWLSCSKDSA-N 0 0 326.425 2.189 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1c(F)cccc1F ZINC000077929291 217000832 /nfs/dbraw/zinc/00/08/32/217000832.db2.gz PXPRQBJPCUNPNP-MRXNPFEDSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccnc2ncnn21 ZINC000019333277 212016653 /nfs/dbraw/zinc/01/66/53/212016653.db2.gz DMTXNAMCVLMHTK-AWEZNQCLSA-N 0 0 325.347 2.170 40 0 EEABRN C[C@H]1CN(Cc2cccc(NC(=O)c3cnccn3)c2)C[C@H](C)O1 ZINC000078152825 217026701 /nfs/dbraw/zinc/02/67/01/217026701.db2.gz KYSMPISUMPOWEA-KBPBESRZSA-N 0 0 326.400 2.338 40 0 EEABRN COc1cccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000078234585 217032183 /nfs/dbraw/zinc/03/21/83/217032183.db2.gz VVWNONXPCAFZMT-UHFFFAOYSA-N 0 0 334.397 2.479 40 0 EEABRN C[C@@H](OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000078442493 217053642 /nfs/dbraw/zinc/05/36/42/217053642.db2.gz HJKVCJTUJZHFPG-DGCLKSJQSA-N 0 0 329.393 2.102 40 0 EEABRN CN1CC(=O)N(CCCC(=O)O[C@H]2CCSc3ccccc32)C1=O ZINC000078442695 217053956 /nfs/dbraw/zinc/05/39/56/217053956.db2.gz FRKQIWKSBQJOPW-ZDUSSCGKSA-N 0 0 348.424 2.441 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000078986025 217165109 /nfs/dbraw/zinc/16/51/09/217165109.db2.gz CJBOLQBELFMXPX-DOMZBBRYSA-N 0 0 343.383 2.216 40 0 EEABRN COCCNC(=O)c1ccc(NC[C@H](C)Cn2nc(C)cc2C)nc1 ZINC000079029446 217178166 /nfs/dbraw/zinc/17/81/66/217178166.db2.gz NEMQTHVFYRHCEJ-ZDUSSCGKSA-N 0 0 345.447 2.019 40 0 EEABRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CCn1cncn1 ZINC000079002010 217172521 /nfs/dbraw/zinc/17/25/21/217172521.db2.gz AYQUMVRITJJBJA-HNNXBMFYSA-N 0 0 334.395 2.417 40 0 EEABRN CC(C)S(=O)(=O)NC[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000079297721 217204322 /nfs/dbraw/zinc/20/43/22/217204322.db2.gz OBIDXMMHELZACM-NSHDSACASA-N 0 0 349.859 2.418 40 0 EEABRN COc1ccc2c(c1)OC[C@H](C(=O)NCCCn1nc(C)cc1C)C2 ZINC000079321241 217208836 /nfs/dbraw/zinc/20/88/36/217208836.db2.gz ZRRBIDBPVMHFHJ-MRXNPFEDSA-N 0 0 343.427 2.266 40 0 EEABRN Cc1ncc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)s1 ZINC000079330972 217209399 /nfs/dbraw/zinc/20/93/99/217209399.db2.gz UDEVAIYVVZRDJA-UHFFFAOYSA-N 0 0 329.425 2.440 40 0 EEABRN COC(=O)c1cccc(NC(=O)N2CCCN(C(=O)OC)CC2)c1C ZINC000079335605 217209454 /nfs/dbraw/zinc/20/94/54/217209454.db2.gz XVOCYXIFQSBVMU-UHFFFAOYSA-N 0 0 349.387 2.088 40 0 EEABRN Cc1nnc(CNC(=O)[C@H](C)c2ccc(Br)s2)[nH]1 ZINC000080076629 217276370 /nfs/dbraw/zinc/27/63/70/217276370.db2.gz UNBXQOUMYJMOOU-ZCFIWIBFSA-N 0 0 329.223 2.357 40 0 EEABRN Cc1ccccc1CS(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111343317 220142541 /nfs/dbraw/zinc/14/25/41/220142541.db2.gz MMIPXYDXYWNYKD-CQSZACIVSA-N 0 0 338.454 2.355 40 0 EEABRN COC(=O)N1CC[C@@H](NC(=O)c2cccc(Br)c2C)C1 ZINC000080500923 217308420 /nfs/dbraw/zinc/30/84/20/217308420.db2.gz IYUAKAXQPMYNBZ-SNVBAGLBSA-N 0 0 341.205 2.328 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1ccc(C)c(C)c1 ZINC000083598634 217547784 /nfs/dbraw/zinc/54/77/84/217547784.db2.gz BIGRFXRSKBPEAF-GOSISDBHSA-N 0 0 346.452 2.058 40 0 EEABRN Cc1ccc2cccc(S(=O)(=O)NCCCn3cccn3)c2n1 ZINC000084936453 217652156 /nfs/dbraw/zinc/65/21/56/217652156.db2.gz UBPZSOWMPADBCT-UHFFFAOYSA-N 0 0 330.413 2.108 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)o1 ZINC000088272031 217743898 /nfs/dbraw/zinc/74/38/98/217743898.db2.gz DFGZXOISIWOFLB-GFCCVEGCSA-N 0 0 335.310 2.105 40 0 EEABRN COC(=O)[C@@]12N=NN(c3ccccc3)[C@@]1(C(=O)OC)[C@H]1CC[C@@H]2C1 ZINC000005160201 291689459 /nfs/dbraw/zinc/68/94/59/291689459.db2.gz RYEXOAVTRFBHAK-CZAMWMTLSA-N 0 0 329.356 2.127 40 0 EEABRN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(O)(c2ccccn2)CC1 ZINC000012219892 211322134 /nfs/dbraw/zinc/32/21/34/211322134.db2.gz ZYWHQAXJSRBETH-UHFFFAOYSA-N 0 0 342.443 2.236 40 0 EEABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)c1c(F)cccc1F ZINC000012144633 211304928 /nfs/dbraw/zinc/30/49/28/211304928.db2.gz GAMLORYYLHGKNR-UHFFFAOYSA-N 0 0 329.310 2.117 40 0 EEABRN Cc1ccnn1CCC(=O)N[C@@H](Cn1nnc2ccccc21)C(C)C ZINC000012145042 211304396 /nfs/dbraw/zinc/30/43/96/211304396.db2.gz XQXRGPUTSMQNME-INIZCTEOSA-N 0 0 340.431 2.167 40 0 EEABRN O=C([C@H]1CCCO1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012117183 211296153 /nfs/dbraw/zinc/29/61/53/211296153.db2.gz LVRRPCFGMWRMTO-DOTOQJQBSA-N 0 0 338.411 2.424 40 0 EEABRN Cn1c2ccccc2nc1N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000012116425 211295819 /nfs/dbraw/zinc/29/58/19/211295819.db2.gz KWCMBHIYJWBXLR-GJZGRUSLSA-N 0 0 342.443 2.085 40 0 EEABRN O=C(CN1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)NCc1ccccc1 ZINC000012114350 211293331 /nfs/dbraw/zinc/29/33/31/211293331.db2.gz KRBHGUXODCJKOC-XEWABKELSA-N 0 0 340.423 2.410 40 0 EEABRN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nccc(N)n1 ZINC000092125128 218121665 /nfs/dbraw/zinc/12/16/65/218121665.db2.gz RDFDMTRXBVRUHW-HNNXBMFYSA-N 0 0 334.807 2.432 40 0 EEABRN Cn1nncc1CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000092592234 218152471 /nfs/dbraw/zinc/15/24/71/218152471.db2.gz XJOLXQUISMUACZ-CQSZACIVSA-N 0 0 337.221 2.151 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000010150738 211150286 /nfs/dbraw/zinc/15/02/86/211150286.db2.gz PLVRVWGRPZWZOJ-DLBZAZTESA-N 0 0 328.412 2.375 40 0 EEABRN Cn1ccnc1CN1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000093108430 218194536 /nfs/dbraw/zinc/19/45/36/218194536.db2.gz FDHDJYFOKGRPMM-UHFFFAOYSA-N 0 0 336.443 2.128 40 0 EEABRN COc1cc(OC)cc(N2CC[C@@H](N(C)CC3=CCCOC3)C2=O)c1 ZINC000093840874 218252002 /nfs/dbraw/zinc/25/20/02/218252002.db2.gz BSFZUKZWCODKIP-GOSISDBHSA-N 0 0 346.427 2.088 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000008477630 210956314 /nfs/dbraw/zinc/95/63/14/210956314.db2.gz DXSKLQYFCOXVHU-AWEZNQCLSA-N 0 0 326.462 2.456 40 0 EEABRN CCOCc1cccc(NCc2cnc(N3CCOCC3)nc2)c1 ZINC000095428999 218372040 /nfs/dbraw/zinc/37/20/40/218372040.db2.gz YFQQXRBKEUVIGI-UHFFFAOYSA-N 0 0 328.416 2.462 40 0 EEABRN Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C(=O)CC1CC1)C2 ZINC000096045004 218530913 /nfs/dbraw/zinc/53/09/13/218530913.db2.gz RWBSGUYKRQWSRV-INIZCTEOSA-N 0 0 347.459 2.089 40 0 EEABRN O=C(c1cccs1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048399 218537162 /nfs/dbraw/zinc/53/71/62/218537162.db2.gz QNNXDEIWVMJGOL-CXAGYDPISA-N 0 0 344.440 2.414 40 0 EEABRN COCc1cnc2n1CCN(C(=O)CCOc1ccccc1)[C@H]2C ZINC000096205850 218679491 /nfs/dbraw/zinc/67/94/91/218679491.db2.gz BLGCICQSNOFROO-AWEZNQCLSA-N 0 0 329.400 2.402 40 0 EEABRN Cc1occc1C(=O)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC000096226353 218702648 /nfs/dbraw/zinc/70/26/48/218702648.db2.gz IBKDZVDYLGCEOS-LJQANCHMSA-N 0 0 341.411 2.495 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)C3(C2)CCOCC3)cc1 ZINC000096240751 218713841 /nfs/dbraw/zinc/71/38/41/218713841.db2.gz CJYFFKMMQUVLSI-QGZVFWFLSA-N 0 0 344.455 2.388 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)C(=O)N1CC ZINC000096261626 218731057 /nfs/dbraw/zinc/73/10/57/218731057.db2.gz WSZRIHZHBHGMOT-FRIZHTMISA-N 0 0 346.475 2.390 40 0 EEABRN C[C@@H](CCc1ccccc1F)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000096431021 218804905 /nfs/dbraw/zinc/80/49/05/218804905.db2.gz VYWXVFLVOBIOEY-JSGCOSHPSA-N 0 0 327.421 2.088 40 0 EEABRN CC(=O)NCCCOC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000096441951 218823695 /nfs/dbraw/zinc/82/36/95/218823695.db2.gz BOSPIWPQNBIUFU-UHFFFAOYSA-N 0 0 343.305 2.275 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000096500663 218876560 /nfs/dbraw/zinc/87/65/60/218876560.db2.gz IITGALTUFGLOHT-UHFFFAOYSA-N 0 0 328.351 2.137 40 0 EEABRN Cc1ccc(OCC(=O)NCCCNC(=O)c2ccccn2)cc1C ZINC000005015384 210361947 /nfs/dbraw/zinc/36/19/47/210361947.db2.gz AEBXRGWYKCTUED-UHFFFAOYSA-N 0 0 341.411 2.014 40 0 EEABRN CCOC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000004992846 210352564 /nfs/dbraw/zinc/35/25/64/210352564.db2.gz SLQWAEOGKCZJAF-GFCCVEGCSA-N 0 0 336.775 2.252 40 0 EEABRN CCc1nc2c(nnn2Cc2ccccc2)c(NCCCCCO)n1 ZINC000004985416 210350270 /nfs/dbraw/zinc/35/02/70/210350270.db2.gz MIOMOQRBTTYAHE-UHFFFAOYSA-N 0 0 340.431 2.407 40 0 EEABRN O=C(NCc1ccncc1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004928007 210325057 /nfs/dbraw/zinc/32/50/57/210325057.db2.gz AZLGKKXDVTVPKY-AQTBWJFISA-N 0 0 346.390 2.497 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)CC(C)(C)O ZINC000097233192 219001137 /nfs/dbraw/zinc/00/11/37/219001137.db2.gz XMSFUIANVNWMGG-SECBINFHSA-N 0 0 335.370 2.395 40 0 EEABRN O=C1N[C@H](c2cc(Br)cc3c2OCC3)N2CCCC[C@H]12 ZINC000097378384 296394153 /nfs/dbraw/zinc/39/41/53/296394153.db2.gz JXROPFQAAAPSBZ-OCCSQVGLSA-N 0 0 337.217 2.367 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccccn2)Cc2ncn(CC3CC3)c21 ZINC000096045086 285296555 /nfs/dbraw/zinc/29/65/55/285296555.db2.gz CJXUEHVUXCMMQS-AWEZNQCLSA-N 0 0 326.400 2.074 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000014397298 257858696 /nfs/dbraw/zinc/85/86/96/257858696.db2.gz MNLMHWDDJNLEPP-UHFFFAOYSA-N 0 0 342.436 2.431 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000008041417 533378736 /nfs/dbraw/zinc/37/87/36/533378736.db2.gz VYEIJJJPFYQHCT-UHFFFAOYSA-N 0 0 330.837 2.165 40 0 EEABRN COC(=O)CCCN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000185006501 533382030 /nfs/dbraw/zinc/38/20/30/533382030.db2.gz MDZOTARTLCDOME-OAHLLOKOSA-N 0 0 342.754 2.199 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2cn(CC3CC3)nc21 ZINC000096198168 286181152 /nfs/dbraw/zinc/18/11/52/286181152.db2.gz VTECBJZVUWGQJH-OAHLLOKOSA-N 0 0 344.415 2.366 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccncn3)CC[C@@H]2OC)cc1 ZINC000096110573 286315611 /nfs/dbraw/zinc/31/56/11/286315611.db2.gz OGCMTOXNGQNKTI-YJBOKZPZSA-N 0 0 341.411 2.205 40 0 EEABRN O=S(=O)(Cc1ccccc1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000166139648 226148789 /nfs/dbraw/zinc/14/87/89/226148789.db2.gz SKSIIXROUOGZEJ-MRXNPFEDSA-N 0 0 331.441 2.170 40 0 EEABRN Cc1cscc1NC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000269622233 268711096 /nfs/dbraw/zinc/71/10/96/268711096.db2.gz SYBOLTAHNYTGHL-UHFFFAOYSA-N 0 0 329.491 2.021 40 0 EEABRN C[C@@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)c1cccc(F)c1F ZINC000285655735 274769050 /nfs/dbraw/zinc/76/90/50/274769050.db2.gz ONIDWKLWKGFCGE-SECBINFHSA-N 0 0 331.384 2.498 40 0 EEABRN CC(=O)NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000005480946 277038181 /nfs/dbraw/zinc/03/81/81/277038181.db2.gz MEADLTHOFHMAIE-UHFFFAOYSA-N 0 0 337.379 2.477 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766641 277291527 /nfs/dbraw/zinc/29/15/27/277291527.db2.gz UQUNZZSCMAFCHR-UHFFFAOYSA-N 0 0 348.399 2.327 40 0 EEABRN CC(C)CN(CC(N)=O)C(=O)c1cc(F)c(F)cc1Br ZINC000195544743 278851388 /nfs/dbraw/zinc/85/13/88/278851388.db2.gz WZKKDJDJNCMBPN-UHFFFAOYSA-N 0 0 349.175 2.311 40 0 EEABRN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190039025 279106158 /nfs/dbraw/zinc/10/61/58/279106158.db2.gz RHGXBQVSVQWAMA-ZJUUUORDSA-N 0 0 341.205 2.023 40 0 EEABRN Cn1nccc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000253428477 279422286 /nfs/dbraw/zinc/42/22/86/279422286.db2.gz LCNRYNXSKXZSLN-GFCCVEGCSA-N 0 0 339.392 2.140 40 0 EEABRN CC(C)[C@@H](NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200427 279894840 /nfs/dbraw/zinc/89/48/40/279894840.db2.gz QWHDZZMZKAILCW-ZYHUDNBSSA-N 0 0 337.445 2.280 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096110846 280235518 /nfs/dbraw/zinc/23/55/18/280235518.db2.gz LFEVQRVLZBHSJG-QAPCUYQASA-N 0 0 343.383 2.050 40 0 EEABRN CN(C)[C@H](CNC(=O)c1cn2cccnc2n1)c1c(F)cccc1F ZINC000096406370 289363375 /nfs/dbraw/zinc/36/33/75/289363375.db2.gz HWFNNOBLUNGPJE-CQSZACIVSA-N 0 0 345.353 2.040 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CCN(c4ncc(F)cn4)C3)C2=O)cs1 ZINC000096159445 293267625 /nfs/dbraw/zinc/26/76/25/293267625.db2.gz WKLTUUUDDKTGDU-INIZCTEOSA-N 0 0 347.419 2.010 40 0 EEABRN Cc1nccc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000257245339 293638075 /nfs/dbraw/zinc/63/80/75/293638075.db2.gz IPAMXAYMVLNMPP-CYBMUJFWSA-N 0 0 325.416 2.407 40 0 EEABRN COc1ccccc1-c1c2c(ccn(C3CC3)c2=O)nc2ncnn21 ZINC000040398153 295344410 /nfs/dbraw/zinc/34/44/10/295344410.db2.gz JNNHTPOFBAODDP-UHFFFAOYSA-N 0 0 333.351 2.450 40 0 EEABRN CS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC000096239546 295514274 /nfs/dbraw/zinc/51/42/74/295514274.db2.gz RIBSQUFGYSYSHT-AWEZNQCLSA-N 0 0 330.400 2.184 40 0 EEABRN O=C(C[C@H](c1ccccc1)C(F)(F)F)NC1CCS(=O)(=O)CC1 ZINC000078402294 295542655 /nfs/dbraw/zinc/54/26/55/295542655.db2.gz NQJXXLWUHURZQC-CYBMUJFWSA-N 0 0 349.374 2.416 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3[nH]c(C)nc3c2)n1 ZINC000257232373 301024045 /nfs/dbraw/zinc/02/40/45/301024045.db2.gz GKPGVDHINDAGNV-HNNXBMFYSA-N 0 0 325.372 2.117 40 0 EEABRN CNC(=O)CC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000097097115 323320403 /nfs/dbraw/zinc/32/04/03/323320403.db2.gz MCNVLPCUROOQKS-FQEVSTJZSA-N 0 0 338.407 2.353 40 0 EEABRN CCCN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1C[C@H](OCC)C1(C)C ZINC000097237039 323321094 /nfs/dbraw/zinc/32/10/94/323321094.db2.gz FHPBZDHCBZFOCW-GJZGRUSLSA-N 0 0 345.447 2.419 40 0 EEABRN CCc1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 ZINC000097102834 323321159 /nfs/dbraw/zinc/32/11/59/323321159.db2.gz QSVLBTPUMHLUOE-UHFFFAOYSA-N 0 0 335.473 2.464 40 0 EEABRN Cc1cc(N2CCC(NC(=O)Nc3ccncc3F)CC2)nc(C)n1 ZINC000097376680 323321981 /nfs/dbraw/zinc/32/19/81/323321981.db2.gz DNXYROKAQONGOK-UHFFFAOYSA-N 0 0 344.394 2.418 40 0 EEABRN CC[C@@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)c1nccs1 ZINC000097376463 323322091 /nfs/dbraw/zinc/32/20/91/323322091.db2.gz RVPGXZYIZTZFHT-CYBMUJFWSA-N 0 0 346.460 2.224 40 0 EEABRN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccccc1-n1ccnn1 ZINC000097372595 323322278 /nfs/dbraw/zinc/32/22/78/323322278.db2.gz OLZJWJNQHLUKAT-WMLDXEAASA-N 0 0 328.416 2.328 40 0 EEABRN C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000097372755 323322602 /nfs/dbraw/zinc/32/26/02/323322602.db2.gz IOZMNEIBHLRQGE-ZDUSSCGKSA-N 0 0 349.394 2.378 40 0 EEABRN O=C(Nc1cc(C(F)(F)F)[nH]n1)c1csc([C@H]2CCCO2)n1 ZINC000328776913 465125295 /nfs/dbraw/zinc/12/52/95/465125295.db2.gz CURLCZPGRBGZFM-SSDOTTSWSA-N 0 0 332.307 2.989 40 0 EEABRN COC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 ZINC000000413073 462558874 /nfs/dbraw/zinc/55/88/74/462558874.db2.gz YCGZZFFWAKIGAO-UHFFFAOYSA-N 0 0 346.412 2.210 40 0 EEABRN CNC(=O)c1cccc(CN2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC000085821309 462559954 /nfs/dbraw/zinc/55/99/54/462559954.db2.gz ONWVLFYQWJIYFQ-UHFFFAOYSA-N 0 0 346.500 2.045 40 0 EEABRN O=C(NCCCc1ccc(Cl)cc1)NCCc1nnc2n1CCC2 ZINC000086373057 462571236 /nfs/dbraw/zinc/57/12/36/462571236.db2.gz WCFWSLDIZWTJHE-UHFFFAOYSA-N 0 0 347.850 2.352 40 0 EEABRN COc1ccc(-c2ccc(SCC(=O)N(C)C)nn2)cc1OC ZINC000001332455 462579126 /nfs/dbraw/zinc/57/91/26/462579126.db2.gz JFGIXMNLIAPMFM-UHFFFAOYSA-N 0 0 333.413 2.341 40 0 EEABRN CCOC(=O)C[C@]1(O)c2ccccc2N(Cc2ccccc2)C1=O ZINC000001657106 462584840 /nfs/dbraw/zinc/58/48/40/462584840.db2.gz UAMHNXIGBXBFPC-IBGZPJMESA-N 0 0 325.364 2.374 40 0 EEABRN C[C@@H](Cc1ccccc1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000001691966 462585556 /nfs/dbraw/zinc/58/55/56/462585556.db2.gz SNBLVHDGFSGLBB-AWEZNQCLSA-N 0 0 336.391 2.372 40 0 EEABRN Cc1cnc(CCNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 ZINC000074617806 462618169 /nfs/dbraw/zinc/61/81/69/462618169.db2.gz VTSRHMJDWUFHIE-ZDUSSCGKSA-N 0 0 335.433 2.191 40 0 EEABRN CCOc1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520436 462633222 /nfs/dbraw/zinc/63/32/22/462633222.db2.gz DRBDXBGPXLGSBF-CYBMUJFWSA-N 0 0 331.338 2.075 40 0 EEABRN C[S@](=O)CC[C@@H]1C(=O)O[C@H](C(C)(C)C)N1C(=O)c1ccccc1 ZINC000005714622 462667564 /nfs/dbraw/zinc/66/75/64/462667564.db2.gz ZVOJFNZMAQFTHI-DBOTXTLRSA-N 0 0 337.441 2.195 40 0 EEABRN CC(C)[C@@H](O)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089391475 462673409 /nfs/dbraw/zinc/67/34/09/462673409.db2.gz VFSGXSRZDUGDKW-OLZOCXBDSA-N 0 0 346.349 2.487 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OC)cc2)c1 ZINC000046568255 462688964 /nfs/dbraw/zinc/68/89/64/462688964.db2.gz ARIPHUQFMJHTJP-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006778967 462704420 /nfs/dbraw/zinc/70/44/20/462704420.db2.gz YOBPBUBMOQFSBY-MRVPVSSYSA-N 0 0 339.244 2.186 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(F)cc1 ZINC000006862012 462709325 /nfs/dbraw/zinc/70/93/25/462709325.db2.gz RFZUOIZFSZQUON-UHFFFAOYSA-N 0 0 349.749 2.173 40 0 EEABRN CCC(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000007496918 462739029 /nfs/dbraw/zinc/73/90/29/462739029.db2.gz KRSGUVWRWSTGBS-UHFFFAOYSA-N 0 0 329.322 2.246 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1OC ZINC000008475995 462784755 /nfs/dbraw/zinc/78/47/55/462784755.db2.gz KTNWCRATMREELJ-UHFFFAOYSA-N 0 0 334.397 2.164 40 0 EEABRN O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@H]2c1ccco1 ZINC000010297780 462815800 /nfs/dbraw/zinc/81/58/00/462815800.db2.gz MDPSGZTZLBTUMG-LBPRGKRZSA-N 0 0 339.340 2.185 40 0 EEABRN O=C(Cc1ccccn1)N1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012669020 462862481 /nfs/dbraw/zinc/86/24/81/462862481.db2.gz ZCSGSAHVDZCLND-UHFFFAOYSA-N 0 0 349.394 2.475 40 0 EEABRN COc1cccc(-c2noc(CCC(=O)NCc3cccnc3)n2)c1 ZINC000012970995 462878086 /nfs/dbraw/zinc/87/80/86/462878086.db2.gz WNAWTGIBAKYBHS-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN CSC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000076921228 462922429 /nfs/dbraw/zinc/92/24/29/462922429.db2.gz SASZHXOBGRAAQB-JTQLQIEISA-N 0 0 342.486 2.373 40 0 EEABRN Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000015935441 462966776 /nfs/dbraw/zinc/96/67/76/462966776.db2.gz XWKNRQYSXVHGOZ-LBPRGKRZSA-N 0 0 331.401 2.482 40 0 EEABRN CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016638487 462984256 /nfs/dbraw/zinc/98/42/56/462984256.db2.gz KWWLJOGUGIHKLV-UHFFFAOYSA-N 0 0 332.853 2.267 40 0 EEABRN COc1ccccc1-n1c(C)nnc1SCCN1CCOCC1 ZINC000019288321 463016472 /nfs/dbraw/zinc/01/64/72/463016472.db2.gz OAKCBYHLYVTKDK-UHFFFAOYSA-N 0 0 334.445 2.009 40 0 EEABRN Cc1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000019946215 463022771 /nfs/dbraw/zinc/02/27/71/463022771.db2.gz CVNKZAAGVMVWCG-UHFFFAOYSA-N 0 0 346.452 2.120 40 0 EEABRN COC(=O)C1C(CN2CCCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000020029432 463024539 /nfs/dbraw/zinc/02/45/39/463024539.db2.gz UDFHWMCWLYJAAK-QGZVFWFLSA-N 0 0 343.427 2.180 40 0 EEABRN COCc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000025335755 463120741 /nfs/dbraw/zinc/12/07/41/463120741.db2.gz RLOIYNVFRGTIPK-UHFFFAOYSA-N 0 0 334.397 2.457 40 0 EEABRN CC(C)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)[nH]1 ZINC000078718561 463142801 /nfs/dbraw/zinc/14/28/01/463142801.db2.gz ISQCSXCATPUPOJ-CQSZACIVSA-N 0 0 341.415 2.419 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)no1 ZINC000096042217 463147829 /nfs/dbraw/zinc/14/78/29/463147829.db2.gz YPYMGXQUHQUSBZ-OKZBNKHCSA-N 0 0 329.400 2.327 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096044701 463149402 /nfs/dbraw/zinc/14/94/02/463149402.db2.gz LNIBCXNWZUVPSL-CQSZACIVSA-N 0 0 347.390 2.437 40 0 EEABRN Cc1ccc(CN2CCn3c(CNC(=O)C4CC4)cnc3[C@H]2C)o1 ZINC000096070180 463166205 /nfs/dbraw/zinc/16/62/05/463166205.db2.gz SXHCHRDFJDOPFJ-CYBMUJFWSA-N 0 0 328.416 2.388 40 0 EEABRN CC(C)NC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096078103 463168947 /nfs/dbraw/zinc/16/89/47/463168947.db2.gz VJBISSBZCNMIQQ-OAHLLOKOSA-N 0 0 339.390 2.132 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000135534026 463169821 /nfs/dbraw/zinc/16/98/21/463169821.db2.gz IXGVRSQGXLCIAF-SRVKXCTJSA-N 0 0 328.359 2.207 40 0 EEABRN CCc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CC(=O)N3CCOC)c1 ZINC000096081237 463170289 /nfs/dbraw/zinc/17/02/89/463170289.db2.gz PQKFNLLOGDGSIP-HZPDHXFCSA-N 0 0 331.416 2.103 40 0 EEABRN O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1ccccc1 ZINC000096108497 463176643 /nfs/dbraw/zinc/17/66/43/463176643.db2.gz ZIHIWFSZFWDQMH-QAPCUYQASA-N 0 0 343.452 2.022 40 0 EEABRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)c3ccno3)C[C@H]21 ZINC000096145642 463186358 /nfs/dbraw/zinc/18/63/58/463186358.db2.gz OWHTYEPWNGJFAY-KGLIPLIRSA-N 0 0 334.379 2.487 40 0 EEABRN O=C(c1cccs1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 ZINC000096185388 463197939 /nfs/dbraw/zinc/19/79/39/463197939.db2.gz XTBJDXYDWGKJHZ-MCIONIFRSA-N 0 0 344.440 2.127 40 0 EEABRN Cc1cc(CN2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)no1 ZINC000096186975 463199109 /nfs/dbraw/zinc/19/91/09/463199109.db2.gz UFMHMVCGDXOJDA-ZACQAIPSSA-N 0 0 345.399 2.014 40 0 EEABRN Cc1ccc(CN2CCc3c(COCC(=O)N(C)C)cncc3C2)o1 ZINC000096189383 463201342 /nfs/dbraw/zinc/20/13/42/463201342.db2.gz PGAFTTQOQSUKNG-UHFFFAOYSA-N 0 0 343.427 2.146 40 0 EEABRN Cc1cnc(N2CCC[C@@]3(C2)COCCN(c2nccs2)C3)nc1 ZINC000096229227 463222174 /nfs/dbraw/zinc/22/21/74/463222174.db2.gz DFDAUEFRVQTWCA-KRWDZBQOSA-N 0 0 345.472 2.365 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(Cc4nccn4C)C3)CC2=O)s1 ZINC000096239334 463224555 /nfs/dbraw/zinc/22/45/55/463224555.db2.gz IJUKBDIOJHKVSP-QGZVFWFLSA-N 0 0 330.457 2.419 40 0 EEABRN CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1ccc[nH]1)C2 ZINC000096259150 463230009 /nfs/dbraw/zinc/23/00/09/463230009.db2.gz YMKMUZFESHJUQH-UHFFFAOYSA-N 0 0 341.415 2.071 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC(C)C)C2)no1 ZINC000096260645 463231748 /nfs/dbraw/zinc/23/17/48/463231748.db2.gz XRCARRIMUHPGEQ-CQSZACIVSA-N 0 0 329.400 2.088 40 0 EEABRN C[C@H](Cc1c(F)cccc1F)NC(=O)NCCOC[C@H]1CCCO1 ZINC000096406827 463240004 /nfs/dbraw/zinc/24/00/04/463240004.db2.gz ZDQMKQOEISAQQG-CHWSQXEVSA-N 0 0 342.386 2.391 40 0 EEABRN Cc1n[nH]cc1S(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000096406703 463240054 /nfs/dbraw/zinc/24/00/54/463240054.db2.gz NHYKRDUKPCLQHC-UHFFFAOYSA-N 0 0 339.392 2.089 40 0 EEABRN O=C(CSc1nccn1Cc1ccccn1)NCc1cccnc1 ZINC000096409799 463242252 /nfs/dbraw/zinc/24/22/52/463242252.db2.gz BWPXRKGZOWJWSI-UHFFFAOYSA-N 0 0 339.424 2.130 40 0 EEABRN C[C@H](Sc1cccs1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000096409142 463242323 /nfs/dbraw/zinc/24/23/23/463242323.db2.gz HPJKRDYYEQFDHR-LBPRGKRZSA-N 0 0 334.470 2.368 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)n3cccn3)C2)c1 ZINC000096409273 463242758 /nfs/dbraw/zinc/24/27/58/463242758.db2.gz MMEHHIHHZSIXCK-HUUCEWRRSA-N 0 0 328.416 2.238 40 0 EEABRN CCOC(=O)CN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCCC1 ZINC000096412059 463245167 /nfs/dbraw/zinc/24/51/67/463245167.db2.gz OLRXTEKDZNZROG-HOTGVXAUSA-N 0 0 333.432 2.248 40 0 EEABRN COc1ccccc1OCCN(C)c1ccc(-n2ccc(C)n2)nn1 ZINC000096413678 463246305 /nfs/dbraw/zinc/24/63/05/463246305.db2.gz BMIHNMYODUTVMX-UHFFFAOYSA-N 0 0 339.399 2.495 40 0 EEABRN O=C(CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414964 463246858 /nfs/dbraw/zinc/24/68/58/463246858.db2.gz SNSOFCJJPLSTPM-GFCCVEGCSA-N 0 0 346.324 2.399 40 0 EEABRN O=C(CCCc1cccs1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414042 463247010 /nfs/dbraw/zinc/24/70/10/463247010.db2.gz RINLLHABKNJQIQ-JTQLQIEISA-N 0 0 334.363 2.350 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)N[C@H](C)Cc2c(C)noc2C)n1 ZINC000096415307 463248073 /nfs/dbraw/zinc/24/80/73/463248073.db2.gz HRDJWNRIXHSZFK-ZYHUDNBSSA-N 0 0 333.436 2.424 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000096418216 463250656 /nfs/dbraw/zinc/25/06/56/463250656.db2.gz DMKRVUNRQAKGHL-JQFCIGGWSA-N 0 0 335.469 2.464 40 0 EEABRN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC[C@H]1CCOC1 ZINC000096419889 463252011 /nfs/dbraw/zinc/25/20/11/463252011.db2.gz LSLPXVATBPZVKW-BXKDBHETSA-N 0 0 333.215 2.363 40 0 EEABRN CN1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CCC1=O ZINC000096422041 463253254 /nfs/dbraw/zinc/25/32/54/463253254.db2.gz WNQFQEFLEWKRLO-NSHDSACASA-N 0 0 347.806 2.268 40 0 EEABRN C[C@H](CCc1cccn1C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000096425710 463254521 /nfs/dbraw/zinc/25/45/21/463254521.db2.gz IGCOJZXPVBIHMU-CYBMUJFWSA-N 0 0 334.441 2.180 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000096425982 463255184 /nfs/dbraw/zinc/25/51/84/463255184.db2.gz MQCASTHFGYMATQ-DZGCQCFKSA-N 0 0 326.400 2.135 40 0 EEABRN O=S(=O)(c1cccnc1)N1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000096428607 463258063 /nfs/dbraw/zinc/25/80/63/463258063.db2.gz VOLQLFKZAIAEQV-OAHLLOKOSA-N 0 0 340.408 2.271 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCCC2 ZINC000096432464 463261264 /nfs/dbraw/zinc/26/12/64/463261264.db2.gz ZSZXZUXMOSERSQ-JKSUJKDBSA-N 0 0 328.416 2.436 40 0 EEABRN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1coc2ccccc12 ZINC000096432208 463261350 /nfs/dbraw/zinc/26/13/50/463261350.db2.gz QRJAFRLPIZTHAY-NSHDSACASA-N 0 0 345.380 2.241 40 0 EEABRN CSC[C@@H]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000096437307 463264310 /nfs/dbraw/zinc/26/43/10/463264310.db2.gz SKZDAXRZLTVAOR-QZTJIDSGSA-N 0 0 348.512 2.489 40 0 EEABRN C[C@H](NC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096439060 463265635 /nfs/dbraw/zinc/26/56/35/463265635.db2.gz SMXYTRFZPLRSJD-JTQLQIEISA-N 0 0 328.409 2.390 40 0 EEABRN C[C@@H]1CN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C[C@@H](C)O1 ZINC000096447126 463270548 /nfs/dbraw/zinc/27/05/48/463270548.db2.gz HVFPVZSSAVWGPA-CHWSQXEVSA-N 0 0 337.489 2.090 40 0 EEABRN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCCSC1 ZINC000096452361 463273370 /nfs/dbraw/zinc/27/33/70/463273370.db2.gz QLSJBLAGGHATHM-QKKBWIMNSA-N 0 0 326.487 2.130 40 0 EEABRN OCc1cc2ccccc2nc1N1CCN(Cc2ccccn2)CC1 ZINC000096453274 463274244 /nfs/dbraw/zinc/27/42/44/463274244.db2.gz RESZCVCQLLZVGG-UHFFFAOYSA-N 0 0 334.423 2.444 40 0 EEABRN COc1ccc(Cc2c(C)nc(N3CCNC(=O)[C@H]3C)nc2C)cc1 ZINC000096453859 463274597 /nfs/dbraw/zinc/27/45/97/463274597.db2.gz FJMLTKSKGIALFJ-CQSZACIVSA-N 0 0 340.427 2.018 40 0 EEABRN CCS[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000096456070 463275541 /nfs/dbraw/zinc/27/55/41/463275541.db2.gz CSLUQUYJNKVPJJ-CVEARBPZSA-N 0 0 345.472 2.385 40 0 EEABRN NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000096461081 463276246 /nfs/dbraw/zinc/27/62/46/463276246.db2.gz QLEWNWNXFHMVFR-UHFFFAOYSA-N 0 0 344.392 2.109 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)c2)cc1N(C)C ZINC000096461890 463276872 /nfs/dbraw/zinc/27/68/72/463276872.db2.gz CYEYCYYKEHEUHE-UHFFFAOYSA-N 0 0 348.472 2.001 40 0 EEABRN CC1(C)[C@@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@@H]2CCO[C@@H]21 ZINC000096468849 463277891 /nfs/dbraw/zinc/27/78/91/463277891.db2.gz VCOWYBYMEROAQN-KBMXLJTQSA-N 0 0 345.374 2.436 40 0 EEABRN C[C@@H]1C[C@H](NS(=O)(=O)CC[C@@H]2CCCO2)CN1c1ccccc1 ZINC000096472743 463278923 /nfs/dbraw/zinc/27/89/23/463278923.db2.gz ZADVGQBFNDMESL-VYDXJSESSA-N 0 0 338.473 2.142 40 0 EEABRN Cc1cc(=O)n(C)cc1NC(=O)N[C@H](c1ccn(C)c1)C(F)(F)F ZINC000096485242 463283856 /nfs/dbraw/zinc/28/38/56/463283856.db2.gz XRIJCHNSILFUAP-CYBMUJFWSA-N 0 0 342.321 2.457 40 0 EEABRN CN1CC[C@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486556 463284222 /nfs/dbraw/zinc/28/42/22/463284222.db2.gz UKVDAYMAARCMQK-RDJZCZTQSA-N 0 0 334.370 2.113 40 0 EEABRN Cc1nc(CN2CCN(C(=O)Nc3ccncc3C)CC2)oc1C ZINC000096489246 463285656 /nfs/dbraw/zinc/28/56/56/463285656.db2.gz UHANXIJBCSGCNP-UHFFFAOYSA-N 0 0 329.404 2.345 40 0 EEABRN O=C1[C@H](N[C@@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494476 463288966 /nfs/dbraw/zinc/28/89/66/463288966.db2.gz VIDAUSCPBJZNTQ-ZIAGYGMSSA-N 0 0 349.797 2.301 40 0 EEABRN O=C(CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000096500923 463291550 /nfs/dbraw/zinc/29/15/50/463291550.db2.gz QIHLKZSJAXNIDD-CQSZACIVSA-N 0 0 328.334 2.357 40 0 EEABRN CCS(=O)(=O)N1CCc2cc(I)ccc21 ZINC000137770939 463300991 /nfs/dbraw/zinc/30/09/91/463300991.db2.gz JJHIDAJWOMPXEB-UHFFFAOYSA-N 0 0 337.182 2.003 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccnc(N(C)C)c3)C2=O)cc1 ZINC000097238393 463354231 /nfs/dbraw/zinc/35/42/31/463354231.db2.gz HJVCCRSLLFWGBT-LJQANCHMSA-N 0 0 338.411 2.423 40 0 EEABRN COc1cc(C)sc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000070784002 463385010 /nfs/dbraw/zinc/38/50/10/463385010.db2.gz RPRKLHILNUHCOS-LBPRGKRZSA-N 0 0 332.429 2.254 40 0 EEABRN COc1ccc(C(=O)NCC2CCN(c3cnccn3)CC2)cc1 ZINC000070930294 463394568 /nfs/dbraw/zinc/39/45/68/463394568.db2.gz QVJRRVXNVFGEEV-UHFFFAOYSA-N 0 0 326.400 2.132 40 0 EEABRN O=C1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@@H]5[C@H]67)[C@H]1[C@@H]4[C@@H]32 ZINC000104285500 463411690 /nfs/dbraw/zinc/41/16/90/463411690.db2.gz ARFRDYHVQQQLHV-FKASLANPSA-N 0 0 328.408 2.408 40 0 EEABRN Cc1ccnn1CC(=O)N[C@@H]1CCCc2nc(-c3ccccn3)ncc21 ZINC000071195763 463411752 /nfs/dbraw/zinc/41/17/52/463411752.db2.gz GJCAOUYVRFOTAR-OAHLLOKOSA-N 0 0 348.410 2.237 40 0 EEABRN O=C(Cc1ccccc1)N1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000040386068 463454091 /nfs/dbraw/zinc/45/40/91/463454091.db2.gz YDPJSFQHLUAPTG-KRWDZBQOSA-N 0 0 334.375 2.407 40 0 EEABRN COc1ccc([C@@H]2[C@@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227042 463484230 /nfs/dbraw/zinc/48/42/30/463484230.db2.gz XIHXRPLNNYKDAJ-QZTJIDSGSA-N 0 0 342.395 2.123 40 0 EEABRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCC=CO2)C3)C1 ZINC000072335625 463509602 /nfs/dbraw/zinc/50/96/02/463509602.db2.gz UDDYDAGEKVJNBO-GJZGRUSLSA-N 0 0 344.459 2.057 40 0 EEABRN CCOCc1cccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000083712878 463556617 /nfs/dbraw/zinc/55/66/17/463556617.db2.gz GXNKJFSYDPVFFK-INIZCTEOSA-N 0 0 343.431 2.457 40 0 EEABRN Cc1cc(CN2CC[C@H]3O[C@@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000107207930 463561779 /nfs/dbraw/zinc/56/17/79/463561779.db2.gz GWUMTMTUVHGPDY-BRWVUGGUSA-N 0 0 342.399 2.139 40 0 EEABRN Cc1ccc(-c2nc(CN[C@H]3CCCN(S(C)(=O)=O)C3)co2)cc1 ZINC000085306821 463644880 /nfs/dbraw/zinc/64/48/80/463644880.db2.gz ACQRSEVDFGZMLQ-HNNXBMFYSA-N 0 0 349.456 2.164 40 0 EEABRN CC(C)Oc1ccc(NC(=S)NCCCN2CCOCC2)cc1 ZINC000044194972 463670638 /nfs/dbraw/zinc/67/06/38/463670638.db2.gz KURZDHOCTIJTLW-UHFFFAOYSA-N 0 0 337.489 2.483 40 0 EEABRN CCn1cc(CN2CCN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201802 463756702 /nfs/dbraw/zinc/75/67/02/463756702.db2.gz AJCFGCLVGBWNOC-IBGZPJMESA-N 0 0 342.443 2.317 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257278418 463758645 /nfs/dbraw/zinc/75/86/45/463758645.db2.gz OCEOCCOMLZXSJV-QGZVFWFLSA-N 0 0 339.395 2.340 40 0 EEABRN Cc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3C)ccn2n1 ZINC000257284940 463762052 /nfs/dbraw/zinc/76/20/52/463762052.db2.gz PEYRCRNRYZGHGF-INIZCTEOSA-N 0 0 338.415 2.296 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)CCN3CCc4ccccc43)CCO2)n1 ZINC000257288955 463763216 /nfs/dbraw/zinc/76/32/16/463763216.db2.gz PWKKDIGRWJHSJL-QGZVFWFLSA-N 0 0 340.427 2.071 40 0 EEABRN CS(=O)(=O)c1ccc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295051 463766331 /nfs/dbraw/zinc/76/63/31/463766331.db2.gz QWSLEDDQOMTQRX-HNNXBMFYSA-N 0 0 333.457 2.268 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1ccccc1)C2 ZINC000257296862 463766746 /nfs/dbraw/zinc/76/67/46/463766746.db2.gz RERBNJMKPITMEP-ZNWBIBPKSA-N 0 0 342.439 2.456 40 0 EEABRN CN(C(=O)c1ccnnc1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257309652 463772301 /nfs/dbraw/zinc/77/23/01/463772301.db2.gz UBVAEIDYQQGFJI-KZNAEPCWSA-N 0 0 341.411 2.300 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@H](c2ccnc(NC)c2)C1 ZINC000257341426 463785548 /nfs/dbraw/zinc/78/55/48/463785548.db2.gz ZKGIGDSBIIZGLM-HNNXBMFYSA-N 0 0 327.432 2.288 40 0 EEABRN CN([C@H](C(=O)N1CCc2ccccc21)c1ccccc1)S(C)(=O)=O ZINC000260815118 463791963 /nfs/dbraw/zinc/79/19/63/463791963.db2.gz SCRHNTKRUILHRD-KRWDZBQOSA-N 0 0 344.436 2.208 40 0 EEABRN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)N1CCN(Cc2ccccn2)CC1 ZINC000194326985 463836794 /nfs/dbraw/zinc/83/67/94/463836794.db2.gz XGYNHBQBLBQYSJ-XUVXKRRUSA-N 0 0 348.450 2.247 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@](=O)[C@@H]2CCO[C@@H]2C)cc1 ZINC000194621257 463897328 /nfs/dbraw/zinc/89/73/28/463897328.db2.gz RKSLSAIZMNWTEJ-HBAYXTBCSA-N 0 0 337.485 2.395 40 0 EEABRN COCCO[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000186697421 464051689 /nfs/dbraw/zinc/05/16/89/464051689.db2.gz YFYMLZPSCKGEMG-ZDUSSCGKSA-N 0 0 330.787 2.426 40 0 EEABRN C[C@H](C(=O)Nc1nnc2n1CCCC2)n1ccc2ccccc2c1=O ZINC000279210639 464065968 /nfs/dbraw/zinc/06/59/68/464065968.db2.gz NTPOMZCANUIQAY-GFCCVEGCSA-N 0 0 337.383 2.129 40 0 EEABRN COC(=O)c1ccc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000195529196 464071761 /nfs/dbraw/zinc/07/17/61/464071761.db2.gz IRTPLMHXGWBWAZ-RDBSUJKOSA-N 0 0 349.431 2.092 40 0 EEABRN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2sccc2Br)CC1=O ZINC000195531128 464072166 /nfs/dbraw/zinc/07/21/66/464072166.db2.gz FLMLOHAQWZDIQP-KHQFGBGNSA-N 0 0 343.246 2.250 40 0 EEABRN C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(Cl)cc1Br ZINC000195547494 464074402 /nfs/dbraw/zinc/07/44/02/464074402.db2.gz PYRGKMYGWQQYSL-WPRPVWTQSA-N 0 0 348.624 2.324 40 0 EEABRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1 ZINC000195547422 464074408 /nfs/dbraw/zinc/07/44/08/464074408.db2.gz ALSNVFWFNYBUHW-DGFSRKRXSA-N 0 0 334.397 2.054 40 0 EEABRN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000179199354 464080905 /nfs/dbraw/zinc/08/09/05/464080905.db2.gz LFNOVIUMRHBELV-ZDUSSCGKSA-N 0 0 343.387 2.324 40 0 EEABRN COc1cccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1 ZINC000224205577 464149682 /nfs/dbraw/zinc/14/96/82/464149682.db2.gz KMTOEOXPXCJVLP-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000225198487 464154621 /nfs/dbraw/zinc/15/46/21/464154621.db2.gz FHMFTZLYUKHNJO-KBPBESRZSA-N 0 0 326.462 2.310 40 0 EEABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000225345266 464155932 /nfs/dbraw/zinc/15/59/32/464155932.db2.gz YEFNINHJMYGDCS-AWEZNQCLSA-N 0 0 326.462 2.061 40 0 EEABRN Cc1ccn(CC(=O)NC(C)(C)COCc2ccccc2)c(=O)c1 ZINC000225598417 464174683 /nfs/dbraw/zinc/17/46/83/464174683.db2.gz FZCZTVGDBUXJBR-UHFFFAOYSA-N 0 0 328.412 2.268 40 0 EEABRN COC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000225600605 464175437 /nfs/dbraw/zinc/17/54/37/464175437.db2.gz DIVCYKUQQIIQHE-CZUORRHYSA-N 0 0 348.353 2.399 40 0 EEABRN CCO[C@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@@H](C)C1 ZINC000225713768 464182152 /nfs/dbraw/zinc/18/21/52/464182152.db2.gz IFCWUIQSWDEXKU-FZKQIMNGSA-N 0 0 334.416 2.475 40 0 EEABRN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000230470612 464203752 /nfs/dbraw/zinc/20/37/52/464203752.db2.gz HBDIOPLLKQUHPX-NORZTCDRSA-N 0 0 345.411 2.336 40 0 EEABRN C[C@](O)(CNC(=O)NCc1nccn1C(F)F)C1CCCCC1 ZINC000188289480 464245132 /nfs/dbraw/zinc/24/51/32/464245132.db2.gz VTRVDEARKRAEMR-HNNXBMFYSA-N 0 0 330.379 2.409 40 0 EEABRN Cc1nnc([C@H]2CN(Cc3ccn(-c4ccccc4F)n3)CCO2)[nH]1 ZINC000189043568 464422528 /nfs/dbraw/zinc/42/25/28/464422528.db2.gz MGYHZEOQXXVERO-MRXNPFEDSA-N 0 0 342.378 2.011 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000240423845 464446327 /nfs/dbraw/zinc/44/63/27/464446327.db2.gz FRJYCLAQBYUTCT-HWLIBYHHSA-N 0 0 331.412 2.253 40 0 EEABRN CN(C(=O)[C@H]1CC12CCN(C(=O)c1ncc(F)cc1F)CC2)C1CC1 ZINC000240423837 464446712 /nfs/dbraw/zinc/44/67/12/464446712.db2.gz FRIIWOWQCBTZFO-CYBMUJFWSA-N 0 0 349.381 2.223 40 0 EEABRN C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccnc(-c2ccccc2)c1N ZINC000240886261 464449376 /nfs/dbraw/zinc/44/93/76/464449376.db2.gz IOHXIXPZILMUDA-MYODQAERSA-N 0 0 331.441 2.170 40 0 EEABRN CN1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1=O ZINC000245338824 464471066 /nfs/dbraw/zinc/47/10/66/464471066.db2.gz OSICXIUAWZNHSK-ZMLRMANQSA-N 0 0 342.226 2.379 40 0 EEABRN CC(C)n1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 ZINC000265377614 464538672 /nfs/dbraw/zinc/53/86/72/464538672.db2.gz ZZWMKCSZIVWSCF-HNNXBMFYSA-N 0 0 327.432 2.378 40 0 EEABRN CCOc1cc(Cl)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000182202912 464597735 /nfs/dbraw/zinc/59/77/35/464597735.db2.gz JHBMGWVWADLOQN-CQSZACIVSA-N 0 0 338.835 2.285 40 0 EEABRN C[C@@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)[C@@H]1CO ZINC000190492370 464658304 /nfs/dbraw/zinc/65/83/04/464658304.db2.gz OFVBWJFIXVEECI-TZMCWYRMSA-N 0 0 337.489 2.367 40 0 EEABRN O=C(NCC[C@@H]1CN(C2CCC2)Cc2ccnn21)c1cscn1 ZINC000247518895 464689410 /nfs/dbraw/zinc/68/94/10/464689410.db2.gz WRDBZDKDPDQLPS-CYBMUJFWSA-N 0 0 331.445 2.069 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC3(C2)C[C@H](OC)CCO3)cc1 ZINC000247927615 464715496 /nfs/dbraw/zinc/71/54/96/464715496.db2.gz FBIBTDGFPHNHLI-QGZVFWFLSA-N 0 0 333.428 2.424 40 0 EEABRN CC(C)NC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247983533 464721891 /nfs/dbraw/zinc/72/18/91/464721891.db2.gz HXZRBSVPASAOJW-SFHVURJKSA-N 0 0 337.427 2.446 40 0 EEABRN CCOCC[C@@H]1CCOC12CN(S(=O)(=O)c1ccccc1C)C2 ZINC000248030227 464724719 /nfs/dbraw/zinc/72/47/19/464724719.db2.gz QAOMREQZVYXDIL-OAHLLOKOSA-N 0 0 339.457 2.201 40 0 EEABRN Cc1nc(COC[C@H]2CCOC23CN(c2ncccn2)C3)cs1 ZINC000248061451 464726660 /nfs/dbraw/zinc/72/66/60/464726660.db2.gz VWXCJYKFZUXXTG-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@H]1C[C@H](C)O)c1cccc(F)c1F ZINC000248710078 464790028 /nfs/dbraw/zinc/79/00/28/464790028.db2.gz IXGVRSQGXLCIAF-QJPTWQEYSA-N 0 0 328.359 2.207 40 0 EEABRN C[C@@H]1CN(C(=O)COc2ccc(-c3cnn(C)c3)cc2)C[C@H](C)O1 ZINC000252484098 464961530 /nfs/dbraw/zinc/96/15/30/464961530.db2.gz FOUAWWVSCJVURT-OKILXGFUSA-N 0 0 329.400 2.102 40 0 EEABRN CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000252485709 464963413 /nfs/dbraw/zinc/96/34/13/464963413.db2.gz HBXSEFYZTFNDOQ-HNNXBMFYSA-N 0 0 343.431 2.408 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000253394940 464999242 /nfs/dbraw/zinc/99/92/42/464999242.db2.gz CQPCKCQYPPXOKK-HWLIBYHHSA-N 0 0 331.412 2.205 40 0 EEABRN CCCc1noc2nc(CC)cc(C(=O)N(C)Cc3ncon3)c12 ZINC000253397494 465000108 /nfs/dbraw/zinc/00/01/08/465000108.db2.gz SDAHYHKBCALGKM-UHFFFAOYSA-N 0 0 329.360 2.393 40 0 EEABRN COc1ccc(C2=NO[C@@H](CNc3cc(C)nc4ncnn43)C2)cc1 ZINC000253398380 465001860 /nfs/dbraw/zinc/00/18/60/465001860.db2.gz SVKDRVOKMIFGIN-CQSZACIVSA-N 0 0 338.371 2.046 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(N2CC[C@@H](O)[C@@H](C)C2)c1C ZINC000253602328 465018936 /nfs/dbraw/zinc/01/89/36/465018936.db2.gz NJYWONQHPNBEHM-YVEFUNNKSA-N 0 0 344.459 2.447 40 0 EEABRN COc1cc([C@@H]2Cc3nc(C)nc(N)c3C(=O)C2)cc(OC)c1OC ZINC000408712612 466682298 /nfs/dbraw/zinc/68/22/98/466682298.db2.gz BEROLRJNFVHBJK-SNVBAGLBSA-N 0 0 343.383 2.306 40 0 EEABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccn3)n2N)c1 ZINC000409153668 466685839 /nfs/dbraw/zinc/68/58/39/466685839.db2.gz MERNIBPUKUVBBH-UHFFFAOYSA-N 0 0 340.412 2.093 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000409380454 466687568 /nfs/dbraw/zinc/68/75/68/466687568.db2.gz DSOLDVPFIHLLRF-CQSZACIVSA-N 0 0 326.462 2.326 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)c1F ZINC000390829246 467412200 /nfs/dbraw/zinc/41/22/00/467412200.db2.gz XRRAYOITVKDVLB-LBPRGKRZSA-N 0 0 335.404 2.462 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)COCc3ccccc3)C2)n1 ZINC000390828912 467412589 /nfs/dbraw/zinc/41/25/89/467412589.db2.gz VINSMOVYQDHEHF-QGZVFWFLSA-N 0 0 341.411 2.290 40 0 EEABRN O=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390828685 467412742 /nfs/dbraw/zinc/41/27/42/467412742.db2.gz SWOQWIRRFANVMS-HNNXBMFYSA-N 0 0 340.358 2.250 40 0 EEABRN Cc1nc(Cn2c(=O)oc3cc(Br)c(F)cc32)no1 ZINC000390834105 467413869 /nfs/dbraw/zinc/41/38/69/467413869.db2.gz RYMNOUNLKIKUOU-UHFFFAOYSA-N 0 0 328.097 2.236 40 0 EEABRN O=S(=O)(NC[C@@H]1CCCN(Cc2ncccc2Cl)C1)C1CC1 ZINC000528501350 467689489 /nfs/dbraw/zinc/68/94/89/467689489.db2.gz FLKLHMLOMPQRKE-LBPRGKRZSA-N 0 0 343.880 2.029 40 0 EEABRN Cc1noc(C)c1CN1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288639 467941631 /nfs/dbraw/zinc/94/16/31/467941631.db2.gz KRYJRPGTXQWQDV-WBVHZDCISA-N 0 0 345.374 2.148 40 0 biogenic,in-vitro EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 ZINC000575405357 468141383 /nfs/dbraw/zinc/14/13/83/468141383.db2.gz SGQZPSLVVYHLQO-HNNXBMFYSA-N 0 0 346.456 2.190 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)CC[C@@H](CN1CCCCC1=O)CO2 ZINC000575406604 468142612 /nfs/dbraw/zinc/14/26/12/468142612.db2.gz PXYYWRSWAFMSLI-HNNXBMFYSA-N 0 0 346.427 2.222 40 0 EEABRN CC(C)Oc1ccc(C(=O)NC2CCN(c3cnsn3)CC2)cn1 ZINC000575607957 468146746 /nfs/dbraw/zinc/14/67/46/468146746.db2.gz UZRHUBGEHHRSPS-UHFFFAOYSA-N 0 0 347.444 2.119 40 0 EEABRN CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000575608977 468148011 /nfs/dbraw/zinc/14/80/11/468148011.db2.gz QMQDSPFQCYMPHP-QGZVFWFLSA-N 0 0 348.472 2.160 40 0 EEABRN Cc1ccccc1CCC(=O)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093411 468963343 /nfs/dbraw/zinc/96/33/43/468963343.db2.gz VEWLQNTZERCBQJ-KRWDZBQOSA-N 0 0 336.382 2.302 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C ZINC000585096883 468964733 /nfs/dbraw/zinc/96/47/33/468964733.db2.gz BWEBCBTYVSOXHG-CQSZACIVSA-N 0 0 346.475 2.434 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2)N1CCCC1 ZINC000585105512 468972297 /nfs/dbraw/zinc/97/22/97/468972297.db2.gz YPXFDHVCFCXNET-GFCCVEGCSA-N 0 0 337.420 2.375 40 0 EEABRN Cc1cc(C)cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)c1 ZINC000585110902 468974971 /nfs/dbraw/zinc/97/49/71/468974971.db2.gz XQFLBIBVFQLVBU-KRWDZBQOSA-N 0 0 338.455 2.369 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2c[nH]c3ccccc23)C1 ZINC000585182048 468995348 /nfs/dbraw/zinc/99/53/48/468995348.db2.gz ZYFUWIVWNUBVQG-GFCCVEGCSA-N 0 0 344.440 2.284 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)ccn1 ZINC000585181493 468995730 /nfs/dbraw/zinc/99/57/30/468995730.db2.gz HVIWQWBGATXZRG-INIZCTEOSA-N 0 0 349.438 2.879 40 0 EEABRN O=C(c1cccc(F)c1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585269325 468997892 /nfs/dbraw/zinc/99/78/92/468997892.db2.gz PFENYNWAQHOGQV-LJQANCHMSA-N 0 0 329.371 2.272 40 0 EEABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585279253 469005330 /nfs/dbraw/zinc/00/53/30/469005330.db2.gz YKMOYNWFECBRSA-IBGZPJMESA-N 0 0 344.386 2.460 40 0 EEABRN O=C(Cc1ccncc1)N1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585279534 469006677 /nfs/dbraw/zinc/00/66/77/469006677.db2.gz ZLJYGVAXWITNAS-IBGZPJMESA-N 0 0 326.396 2.057 40 0 EEABRN Cc1noc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000601971571 469119937 /nfs/dbraw/zinc/11/99/37/469119937.db2.gz LECWGMBOQNWBPF-HZUKXOBISA-N 0 0 342.399 2.165 40 0 EEABRN COC(=O)[C@@H]1CCCCN1C(=O)CCn1c(C)nc2ccccc21 ZINC000132992148 534282909 /nfs/dbraw/zinc/28/29/09/534282909.db2.gz YMSHFVAQULBBGM-INIZCTEOSA-N 0 0 329.400 2.289 40 0 EEABRN NC(=O)c1ccc(CN2CCOC[C@H]2CC(=O)c2cccs2)cc1 ZINC000154426211 534481866 /nfs/dbraw/zinc/48/18/66/534481866.db2.gz PRJNTCMQGUIECH-OAHLLOKOSA-N 0 0 344.436 2.321 40 0 EEABRN Cc1ccc2nc(S[C@@H](C)c3nnnn3C3CC3)n(C)c(=O)c2c1 ZINC000187889021 534508261 /nfs/dbraw/zinc/50/82/61/534508261.db2.gz YNDOMLYMRHJBIA-JTQLQIEISA-N 0 0 342.428 2.417 40 0 EEABRN COc1ccccc1-c1ocnc1C(=O)NCCCn1ccnc1 ZINC000012143588 524298769 /nfs/dbraw/zinc/29/87/69/524298769.db2.gz RGTQFEGEWJWFCX-UHFFFAOYSA-N 0 0 326.356 2.367 40 0 EEABRN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C1(C)C ZINC000375093691 534786877 /nfs/dbraw/zinc/78/68/77/534786877.db2.gz GIACQHYKCROQJH-UHOFOFEASA-N 0 0 346.402 2.299 40 0 EEABRN Cn1cc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000096474781 527211671 /nfs/dbraw/zinc/21/16/71/527211671.db2.gz XCFURAXCCVVAGQ-UHFFFAOYSA-N 0 0 344.202 2.000 40 0 EEABRN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2cnc(N(C)C)nc2)no1 ZINC000154684896 528319311 /nfs/dbraw/zinc/31/93/11/528319311.db2.gz QYKIABOAGGVKRU-GFCCVEGCSA-N 0 0 345.407 2.418 40 0 EEABRN CCOC(=O)c1csc(C2CCN(Cc3nnc(C)n3C)CC2)n1 ZINC000191577370 528333063 /nfs/dbraw/zinc/33/30/63/528333063.db2.gz IJRJFVDJFYMHPO-UHFFFAOYSA-N 0 0 349.460 2.136 40 0 EEABRN CCOc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000408696562 528395865 /nfs/dbraw/zinc/39/58/65/528395865.db2.gz CGPSJPJADMEDHS-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN CCSCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000225704334 535683170 /nfs/dbraw/zinc/68/31/70/535683170.db2.gz MBQMHIUCTBTQJK-AWEZNQCLSA-N 0 0 339.509 2.140 40 0 EEABRN COc1ccc(O[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1 ZINC000225437594 536858212 /nfs/dbraw/zinc/85/82/12/536858212.db2.gz QEPPDLHSURMJQI-CQSZACIVSA-N 0 0 338.367 2.260 40 0 EEABRN COc1nc([Si](C)(C)C)cc(I)c1C=O ZINC000195925813 568417687 /nfs/dbraw/zinc/41/76/87/568417687.db2.gz NQKIFRSZGVLWSK-UHFFFAOYSA-N 0 0 335.217 2.053 40 0 EEABRN NC(=O)c1ccc(N2CCC[C@@H]2c2cncc(Br)c2)nn1 ZINC000895707389 684691059 /nfs/dbraw/zinc/69/10/59/684691059.db2.gz CDEWRUIHUJNUOP-GFCCVEGCSA-N 0 0 348.204 2.075 40 0 EEABRN COc1c(N)c(N)c(I)cc1Br ZINC000642887077 1277837529 /nfs/dbraw/zinc/83/75/29/1277837529.db2.gz JOSBEDGVPJLDCN-UHFFFAOYSA-N 0 0 342.962 2.227 40 0 EEABRN CSc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1 ZINC000027913430 1352373391 /nfs/dbraw/zinc/37/33/91/1352373391.db2.gz IYGLMHLQUUIZOY-UHFFFAOYSA-N 0 0 328.463 2.381 40 0 EEABRN Cc1ccccc1OCn1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000027972231 1352373596 /nfs/dbraw/zinc/37/35/96/1352373596.db2.gz UIOUXQNAMOOWAJ-GASCZTMLSA-N 0 0 329.400 2.477 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3COCCC3=O)c3cc(F)cc1c32 ZINC001740816674 1406109864 /nfs/dbraw/zinc/10/98/64/1406109864.db2.gz NMUQFJZKXLQPMN-AUUYWEPGSA-N 0 0 345.370 2.161 40 0 EEABRN C[C@H](NC(=O)Nc1cccnc1)c1ccccc1NS(C)(=O)=O ZINC000056336028 214370963 /nfs/dbraw/zinc/37/09/63/214370963.db2.gz URLSCSFONBHPRH-NSHDSACASA-N 0 0 334.401 2.336 40 0 EEABRN C[C@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccnc1 ZINC000056928219 214395141 /nfs/dbraw/zinc/39/51/41/214395141.db2.gz ZPAAPPAIJYZPGH-AWEZNQCLSA-N 0 0 326.400 2.100 40 0 EEABRN C/C(=C\C(=O)N[C@@H]1CCN(C)C1=O)c1cccc(C(F)(F)F)c1 ZINC000098013973 219068986 /nfs/dbraw/zinc/06/89/86/219068986.db2.gz ZUFPCWPFEHLOFY-AORWBKJGSA-N 0 0 326.318 2.456 40 0 EEABRN CNC(=O)CCN(C)C(=O)Nc1cc(Br)ccc1OC ZINC000171891303 529856047 /nfs/dbraw/zinc/85/60/47/529856047.db2.gz MMMHUQLCCOHRMB-UHFFFAOYSA-N 0 0 344.209 2.058 40 0 EEABRN CCn1nc(C)cc1C(=O)O[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000066733238 215074626 /nfs/dbraw/zinc/07/46/26/215074626.db2.gz KAUZXDURBMTBFS-HNNXBMFYSA-N 0 0 343.431 2.444 40 0 EEABRN Cn1c2ccccc2s/c1=N/C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000103040158 219249288 /nfs/dbraw/zinc/24/92/88/219249288.db2.gz CSVVOPRYCJAYOL-VHEBQXMUSA-N 0 0 343.452 2.316 40 0 EEABRN COC(=O)CN(c1ccccc1C)S(=O)(=O)c1cccs1 ZINC000040554710 213349021 /nfs/dbraw/zinc/34/90/21/213349021.db2.gz CEBIRTZBHFOLJQ-UHFFFAOYSA-N 0 0 325.411 2.425 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000181009093 234061339 /nfs/dbraw/zinc/06/13/39/234061339.db2.gz HFBHVFXHWLPUCB-AEFFLSMTSA-N 0 0 345.468 2.185 40 0 EEABRN COc1cccc2c1CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)C2 ZINC000685939066 539988753 /nfs/dbraw/zinc/98/87/53/539988753.db2.gz HZGLFFRZKVUORC-RHSMWYFYSA-N 0 0 345.443 2.414 40 0 EEABRN O=S(=O)([C@H](c1ccccc1)[C@H](O)c1ccccc1)N1CCOCC1 ZINC000001717705 209786987 /nfs/dbraw/zinc/78/69/87/209786987.db2.gz UTWSDDSHGPSCFW-QZTJIDSGSA-N 0 0 347.436 2.123 40 0 EEABRN C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000040140935 213272469 /nfs/dbraw/zinc/27/24/69/213272469.db2.gz UBRXYSBNXURXIW-SGTLLEGYSA-N 0 0 341.363 2.475 40 0 EEABRN CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000039547148 213239608 /nfs/dbraw/zinc/23/96/08/213239608.db2.gz PJWUJPCQWHLRIV-UHFFFAOYSA-N 0 0 347.390 2.039 40 0 EEABRN Cc1ccccc1[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000069921551 215632037 /nfs/dbraw/zinc/63/20/37/215632037.db2.gz ODZDRLJPHRDWIG-GOEBONIOSA-N 0 0 338.473 2.426 40 0 EEABRN CCOC(=O)CN1C(=O)SC(=CNc2ccc(OC)cc2)C1=O ZINC000036636254 213106854 /nfs/dbraw/zinc/10/68/54/213106854.db2.gz FINNMZPCVOQZDC-WQLSENKSSA-N 0 0 336.369 2.207 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)[nH]n2)cc1C ZINC000188578917 236602613 /nfs/dbraw/zinc/60/26/13/236602613.db2.gz LVKBDGNZNFXOKV-ZDUSSCGKSA-N 0 0 349.456 2.247 40 0 EEABRN CCCC(=O)N1CCN(c2c(Cl)cccc2NC(N)=S)CC1 ZINC000072230117 216071190 /nfs/dbraw/zinc/07/11/90/216071190.db2.gz KTVJFGCYODEYMG-UHFFFAOYSA-N 0 0 340.880 2.444 40 0 EEABRN Cc1cc(C(=O)NCCCn2cccn2)nc(N2CCCCCC2)n1 ZINC000072241464 216080694 /nfs/dbraw/zinc/08/06/94/216080694.db2.gz GCPRZORWAKKNIJ-UHFFFAOYSA-N 0 0 342.447 2.182 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCCCn2cccn2)[C@H]1c1cccs1 ZINC000072238091 216076705 /nfs/dbraw/zinc/07/67/05/216076705.db2.gz ZHEYZRJNYWEPIA-BBRMVZONSA-N 0 0 346.456 2.061 40 0 EEABRN CC(=O)Nc1cccc(OC[C@@H](O)Cn2cnc3ccccc32)c1 ZINC000000386029 209565373 /nfs/dbraw/zinc/56/53/73/209565373.db2.gz SJLZDWWCQOKQSJ-HNNXBMFYSA-N 0 0 325.368 2.435 40 0 EEABRN COc1ccnc(Cn2c3cccnc3n(C(C)C)c2=O)c1OC ZINC000072346873 216160398 /nfs/dbraw/zinc/16/03/98/216160398.db2.gz WCFJCBLQHROFQR-UHFFFAOYSA-N 0 0 328.372 2.239 40 0 EEABRN CN(C)C(=O)CCc1cncc([C@H]2CCCN2Cc2ccccn2)n1 ZINC000072360473 216167737 /nfs/dbraw/zinc/16/77/37/216167737.db2.gz VRUATSARFGFUOI-GOSISDBHSA-N 0 0 339.443 2.230 40 0 EEABRN CCC(=O)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383847 216185891 /nfs/dbraw/zinc/18/58/91/216185891.db2.gz SAKCFRZHGBFNBW-ZDUSSCGKSA-N 0 0 326.404 2.201 40 0 EEABRN Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)COc2ccccc2)n1 ZINC000072388544 216190213 /nfs/dbraw/zinc/19/02/13/216190213.db2.gz GXMLHNGAVHJPES-GOSISDBHSA-N 0 0 326.400 2.284 40 0 EEABRN Cc1nc(Nc2cccc(F)c2)cc([C@@H]2CCN2S(C)(=O)=O)n1 ZINC000072387175 216186202 /nfs/dbraw/zinc/18/62/02/216186202.db2.gz GRYLUMSHRKMUAG-AWEZNQCLSA-N 0 0 336.392 2.374 40 0 EEABRN Cc1nc([C@@H]2CN(Cc3ccccn3)CCO2)cc(N2CCCC2)n1 ZINC000072387749 216186627 /nfs/dbraw/zinc/18/66/27/216186627.db2.gz YCEHNZKKBXINRR-SFHVURJKSA-N 0 0 339.443 2.354 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)Cc1ccc(Br)s1 ZINC000072566452 216276235 /nfs/dbraw/zinc/27/62/35/216276235.db2.gz SIIZWHUMCLFEDE-VIFPVBQESA-N 0 0 345.262 2.180 40 0 EEABRN COCCN1CC2(CC1=O)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000108527881 219898861 /nfs/dbraw/zinc/89/88/61/219898861.db2.gz FLQHWCDPDUAFMA-UHFFFAOYSA-N 0 0 330.428 2.096 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108531552 219901086 /nfs/dbraw/zinc/90/10/86/219901086.db2.gz IZQAOADKGMJATQ-NVXWUHKLSA-N 0 0 341.455 2.469 40 0 EEABRN C[C@H](O)[C@@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000195560203 241008864 /nfs/dbraw/zinc/00/88/64/241008864.db2.gz DNILYKQOQWIWQQ-WCQYABFASA-N 0 0 341.249 2.404 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 ZINC000218210652 241305137 /nfs/dbraw/zinc/30/51/37/241305137.db2.gz FQFLOGFOGDUONG-HBNTYKKESA-N 0 0 348.287 2.252 40 0 EEABRN CCOC[C@@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218618823 241335033 /nfs/dbraw/zinc/33/50/33/241335033.db2.gz RYJHHJVKVKUJRY-OKZBNKHCSA-N 0 0 349.427 2.499 40 0 EEABRN S=C(NCCN1CCOCC1)Nc1ncc(Cl)cc1Cl ZINC000223890791 241703537 /nfs/dbraw/zinc/70/35/37/241703537.db2.gz IEFATXSVDRZEBS-UHFFFAOYSA-N 0 0 335.260 2.007 40 0 EEABRN CNC(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(N)c1 ZINC000225414117 241850444 /nfs/dbraw/zinc/85/04/44/241850444.db2.gz PJIRJDKFWROLGL-UHFFFAOYSA-N 0 0 329.400 2.300 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)cc1C ZINC000225429504 241858344 /nfs/dbraw/zinc/85/83/44/241858344.db2.gz HDANEPAZHYJKJY-MRXNPFEDSA-N 0 0 341.411 2.324 40 0 EEABRN COc1ccc(CCNC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000225717766 242000233 /nfs/dbraw/zinc/00/02/33/242000233.db2.gz CEDKQZRXICIHEQ-UHFFFAOYSA-N 0 0 336.391 2.369 40 0 EEABRN CNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225880239 242069237 /nfs/dbraw/zinc/06/92/37/242069237.db2.gz GKGRGTLWHZLPTG-UHFFFAOYSA-N 0 0 342.472 2.028 40 0 EEABRN Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccccc1C ZINC000225881049 242070258 /nfs/dbraw/zinc/07/02/58/242070258.db2.gz FKHMYMGPZKXRIW-UHFFFAOYSA-N 0 0 339.442 2.408 40 0 EEABRN Cc1noc(CCCNC(=O)c2ccnc(O[C@@H]3CCSC3)c2)n1 ZINC000225724401 242006019 /nfs/dbraw/zinc/00/60/19/242006019.db2.gz XETLUCXIZVDJND-CYBMUJFWSA-N 0 0 348.428 2.020 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3scnc3C)C2)c1F ZINC000240067764 242966619 /nfs/dbraw/zinc/96/66/19/242966619.db2.gz SASTWOIREIOERK-JTQLQIEISA-N 0 0 336.392 2.237 40 0 EEABRN Cn1cnnc1[C@H]1CCCN(C(=O)c2ccnn2-c2ccccc2)C1 ZINC000241884861 243004256 /nfs/dbraw/zinc/00/42/56/243004256.db2.gz SYKKGWPCHHPMNA-AWEZNQCLSA-N 0 0 336.399 2.021 40 0 EEABRN O=C(c1ccnnc1)N1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000247876022 243470156 /nfs/dbraw/zinc/47/01/56/243470156.db2.gz TXHDPXGSYCYFEY-SFHVURJKSA-N 0 0 349.394 2.087 40 0 EEABRN COC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000253421631 243960245 /nfs/dbraw/zinc/96/02/45/243960245.db2.gz ZCRQRXHFYNSENQ-JTQLQIEISA-N 0 0 348.380 2.115 40 0 EEABRN CCc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCSC3)C2)ncn1 ZINC000253430736 243982649 /nfs/dbraw/zinc/98/26/49/243982649.db2.gz XOOHRKYPEVVVRX-HIFRSBDPSA-N 0 0 349.504 2.060 40 0 EEABRN CCOc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1OCC ZINC000020488473 212137430 /nfs/dbraw/zinc/13/74/30/212137430.db2.gz ZLUHGFYTAILYPQ-UHFFFAOYSA-N 0 0 348.443 2.141 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1Cl ZINC000020459321 212133080 /nfs/dbraw/zinc/13/30/80/212133080.db2.gz NBQOYEHPONFZLQ-UHFFFAOYSA-N 0 0 325.777 2.359 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2ncccc2F)CS3)no1 ZINC000253476695 243998650 /nfs/dbraw/zinc/99/86/50/243998650.db2.gz AWJWJLWHEXKKKT-NSHDSACASA-N 0 0 349.387 2.296 40 0 EEABRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc[nH]c(=O)c1 ZINC000253630350 244041134 /nfs/dbraw/zinc/04/11/34/244041134.db2.gz CZAXXUQSHBATRM-VQIMIIECSA-N 0 0 344.386 2.430 40 0 EEABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257213626 244160572 /nfs/dbraw/zinc/16/05/72/244160572.db2.gz CIKAPURIKKJWAM-HNNXBMFYSA-N 0 0 332.375 2.453 40 0 EEABRN CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CC1CCCCC1 ZINC000257214702 244162573 /nfs/dbraw/zinc/16/25/73/244162573.db2.gz CNCZAACCDDCIEX-SFHVURJKSA-N 0 0 330.432 2.011 40 0 EEABRN CCOc1ncccc1C(=O)N1CCC[C@H]1c1cncc(NC)n1 ZINC000257217101 244170406 /nfs/dbraw/zinc/17/04/06/244170406.db2.gz CXLROOVVXNLVJB-AWEZNQCLSA-N 0 0 327.388 2.289 40 0 EEABRN COc1ccc(C)cc1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257243179 244251760 /nfs/dbraw/zinc/25/17/60/244251760.db2.gz IFTINWAGIAJFIZ-GPMSIDNRSA-N 0 0 343.427 2.014 40 0 EEABRN COc1cccc(O[C@H]2CCN(C(=O)c3cncs3)CC[C@@H]2O)c1 ZINC000257235159 244226677 /nfs/dbraw/zinc/22/66/77/244226677.db2.gz GWSCNYCWJJUSMG-GJZGRUSLSA-N 0 0 348.424 2.196 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257236170 244229823 /nfs/dbraw/zinc/22/98/23/244229823.db2.gz HBBFDNBSONWSMP-OAHLLOKOSA-N 0 0 336.399 2.319 40 0 EEABRN Cc1cn(C)c([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237022 244233727 /nfs/dbraw/zinc/23/37/27/244233727.db2.gz HEVRQVXNGQXLKM-QGZVFWFLSA-N 0 0 329.400 2.073 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CCN2C)cc1 ZINC000257240906 244240828 /nfs/dbraw/zinc/24/08/28/244240828.db2.gz HVQZNQCWZDMEFL-KRWDZBQOSA-N 0 0 341.411 2.233 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257248368 244264141 /nfs/dbraw/zinc/26/41/41/244264141.db2.gz JDJDOIMTOXNERL-HZSPNIEDSA-N 0 0 327.388 2.044 40 0 EEABRN CS(=O)(=O)N1CCC(Cc2cccc(-c3nccs3)n2)CC1 ZINC000257252781 244274105 /nfs/dbraw/zinc/27/41/05/244274105.db2.gz JWDAHDQOSQBLCF-UHFFFAOYSA-N 0 0 337.470 2.419 40 0 EEABRN CCc1nnsc1C(=O)N[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000257254956 244280087 /nfs/dbraw/zinc/28/00/87/244280087.db2.gz KFLYKOJYCVNWQT-LBPRGKRZSA-N 0 0 331.445 2.203 40 0 EEABRN Cc1nc(N)cc([C@@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257256761 244284589 /nfs/dbraw/zinc/28/45/89/244284589.db2.gz KMTPTGXTBXEDRS-HNNXBMFYSA-N 0 0 330.363 2.249 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)C1CCCCC1 ZINC000020013321 212093201 /nfs/dbraw/zinc/09/32/01/212093201.db2.gz LFFYJNXXBQTBHY-UHFFFAOYSA-N 0 0 346.399 2.498 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@@H](c2ccncc2)C1 ZINC000257269393 244371096 /nfs/dbraw/zinc/37/10/96/244371096.db2.gz MPTZZGICIASSFU-QGZVFWFLSA-N 0 0 338.411 2.291 40 0 EEABRN Cc1nc(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)cs1 ZINC000257274672 244388123 /nfs/dbraw/zinc/38/81/23/244388123.db2.gz NMBJOFYTXAZWFI-UHFFFAOYSA-N 0 0 341.440 2.443 40 0 EEABRN COc1ccc(C2(C(=O)N3CCO[C@@H](c4cnccn4)C3)CC2)cc1 ZINC000257274208 244389731 /nfs/dbraw/zinc/38/97/31/244389731.db2.gz NJZKNSKXFBPMIH-QGZVFWFLSA-N 0 0 339.395 2.117 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2sccc2C)n1 ZINC000257333749 244556163 /nfs/dbraw/zinc/55/61/63/244556163.db2.gz YCXLSXOXFHNJEB-AWEZNQCLSA-N 0 0 344.440 2.460 40 0 EEABRN CCc1noc(C)c1C(=O)N1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000019747815 212061145 /nfs/dbraw/zinc/06/11/45/212061145.db2.gz SDMVTBXYZVNKOX-LBPRGKRZSA-N 0 0 328.372 2.041 40 0 EEABRN CN1CCN(C(=O)CCn2c(-c3ccccn3)cc3cccnc32)CC1 ZINC000019589717 212048347 /nfs/dbraw/zinc/04/83/47/212048347.db2.gz AAVDRGOFBJDAHW-UHFFFAOYSA-N 0 0 349.438 2.262 40 0 EEABRN Cc1ccsc1CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000077737958 216965438 /nfs/dbraw/zinc/96/54/38/216965438.db2.gz VZSGEMFMDZPWJN-QFIPXVFZSA-N 0 0 336.438 2.049 40 0 EEABRN CCn1c(COc2ccccc2)nnc1SCCN1CCOCC1 ZINC000019524208 212038228 /nfs/dbraw/zinc/03/82/28/212038228.db2.gz KSYHNNYQBLZXBY-UHFFFAOYSA-N 0 0 348.472 2.301 40 0 EEABRN CCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccc(C)cc2)c1N ZINC000019498771 212034044 /nfs/dbraw/zinc/03/40/44/212034044.db2.gz FZNZIAQTGHUUNG-OAHLLOKOSA-N 0 0 326.400 2.347 40 0 EEABRN CC(C)Nc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019450240 212028940 /nfs/dbraw/zinc/02/89/40/212028940.db2.gz PSTRXAIOUGOVHD-LLVKDONJSA-N 0 0 330.363 2.250 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000019349356 212020111 /nfs/dbraw/zinc/02/01/11/212020111.db2.gz IKQSDKCNLICJFM-UHFFFAOYSA-N 0 0 328.391 2.068 40 0 EEABRN O=C(N[C@@H](Cc1cccs1)c1nccs1)[C@H]1CSCN1 ZINC000019343280 212017903 /nfs/dbraw/zinc/01/79/03/212017903.db2.gz JNASUURVQLMQMI-WDEREUQCSA-N 0 0 325.484 2.267 40 0 EEABRN Cc1ccc(OCCCNC(=O)c2cnc3ccccn3c2=O)cc1 ZINC000078393891 217045688 /nfs/dbraw/zinc/04/56/88/217045688.db2.gz MKRCKJSUBCASMN-UHFFFAOYSA-N 0 0 337.379 2.202 40 0 EEABRN C[C@H](Cc1ccc2ccccc2c1)NC(=O)N1CCS(=O)(=O)CC1 ZINC000078446889 217054364 /nfs/dbraw/zinc/05/43/64/217054364.db2.gz ZNWKUXNIYNWTCD-CQSZACIVSA-N 0 0 346.452 2.211 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cccc2c1OCCO2 ZINC000078551854 217073285 /nfs/dbraw/zinc/07/32/85/217073285.db2.gz BIFFVVSGYJINAU-HNNXBMFYSA-N 0 0 339.347 2.202 40 0 EEABRN Cc1noc(C)c1Cc1nc(C(=O)NCc2ccc(F)cc2)no1 ZINC000078774264 217118487 /nfs/dbraw/zinc/11/84/87/217118487.db2.gz KCSPDBZABOCLFP-UHFFFAOYSA-N 0 0 330.319 2.334 40 0 EEABRN O=S(=O)(c1ccc(CSC[C@H]2CCCO2)o1)N1CCCC1 ZINC000078714511 217107797 /nfs/dbraw/zinc/10/77/97/217107797.db2.gz NXFIXNOTGLWBIN-GFCCVEGCSA-N 0 0 331.459 2.476 40 0 EEABRN COCCCS(=O)(=O)N1CCc2c(Br)cccc2C1 ZINC000078923462 217149441 /nfs/dbraw/zinc/14/94/41/217149441.db2.gz ITNUAIJYNABCGX-UHFFFAOYSA-N 0 0 348.262 2.174 40 0 EEABRN O=C(Nc1ccn(Cc2ccncc2)n1)c1n[nH]cc1Br ZINC000078928345 217150386 /nfs/dbraw/zinc/15/03/86/217150386.db2.gz SDJMTTPLLUINNB-UHFFFAOYSA-N 0 0 347.176 2.064 40 0 EEABRN Cc1noc(CCNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)n1 ZINC000079039980 217179887 /nfs/dbraw/zinc/17/98/87/217179887.db2.gz SZPNYSMRVBUOIA-QMMMGPOBSA-N 0 0 327.743 2.297 40 0 EEABRN C[C@H](Oc1ccccc1Br)C(=O)NCc1nccn1C ZINC000079001037 217170908 /nfs/dbraw/zinc/17/09/08/217170908.db2.gz FJVSKQAOBIVMRA-JTQLQIEISA-N 0 0 338.205 2.266 40 0 EEABRN Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)CC2 ZINC000079309504 217206452 /nfs/dbraw/zinc/20/64/52/217206452.db2.gz RVHOTWGSYNAZIN-APWZRJJASA-N 0 0 335.407 2.499 40 0 EEABRN CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014685910 211753346 /nfs/dbraw/zinc/75/33/46/211753346.db2.gz VMWOGNNCWBXOBW-CQSZACIVSA-N 0 0 338.473 2.248 40 0 EEABRN Cn1cc(C(N)=O)cc1C(=O)OCc1csc(Br)c1 ZINC000088807932 217771013 /nfs/dbraw/zinc/77/10/13/217771013.db2.gz FSVUKOLWLRERFK-UHFFFAOYSA-N 0 0 343.202 2.305 40 0 EEABRN O=C1CCc2cc(S(=O)(=O)N[C@@H]3C[C@@H]3c3ccccc3)ccc2N1 ZINC000012364715 211356772 /nfs/dbraw/zinc/35/67/72/211356772.db2.gz LRLAEFCOUYTWQT-NVXWUHKLSA-N 0 0 342.420 2.406 40 0 EEABRN C[C@H]1C[C@H]1C(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 ZINC000012239700 211327999 /nfs/dbraw/zinc/32/79/99/211327999.db2.gz PTYKPCGDRBUKMT-SWLSCSKDSA-N 0 0 338.411 2.118 40 0 EEABRN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCC[C@H]1CCOC1 ZINC000012204138 211321149 /nfs/dbraw/zinc/32/11/49/211321149.db2.gz MYXGJSGQKCWUBM-NSHDSACASA-N 0 0 338.791 2.181 40 0 EEABRN CCc1nn(CC(=O)N(C(C)C)C(C)C)c(=O)c2cc3occc3n21 ZINC000012115467 211294359 /nfs/dbraw/zinc/29/43/59/211294359.db2.gz OMQBXIVEUAOTAV-UHFFFAOYSA-N 0 0 344.415 2.450 40 0 EEABRN CCn1cncc1CN1C[C@@H](CN2CCOCC2)c2ccccc21 ZINC000012147177 211306342 /nfs/dbraw/zinc/30/63/42/211306342.db2.gz UOBCCSODYBWWIQ-MRXNPFEDSA-N 0 0 326.444 2.339 40 0 EEABRN COc1ccc(-c2n[nH]cc2CN2CCN(CC(F)F)CC2)cc1 ZINC000092586799 218152301 /nfs/dbraw/zinc/15/23/01/218152301.db2.gz XRMJVSCSMUASDD-UHFFFAOYSA-N 0 0 336.386 2.468 40 0 EEABRN COc1c(CN2CCn3c(nnc3-c3ccccc3)C2)c(C)nn1C ZINC000093842781 218253911 /nfs/dbraw/zinc/25/39/11/218253911.db2.gz YONSTNJFXSCNJS-UHFFFAOYSA-N 0 0 338.415 2.011 40 0 EEABRN O=C(NCc1cccc(-n2ccnc2)c1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000095398092 218331005 /nfs/dbraw/zinc/33/10/05/218331005.db2.gz GUDARZVRUCJYTN-BYICEURKSA-N 0 0 340.427 2.175 40 0 EEABRN Cc1ccccc1Cc1cnc(NC(=O)NCc2ncnn2C)s1 ZINC000095403818 218338333 /nfs/dbraw/zinc/33/83/33/218338333.db2.gz QAEUSACDHJDPMI-UHFFFAOYSA-N 0 0 342.428 2.493 40 0 EEABRN CCNC(=O)CCC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000095414213 218352319 /nfs/dbraw/zinc/35/23/19/218352319.db2.gz ZDZDNAQMLCCSQA-NSHDSACASA-N 0 0 341.249 2.413 40 0 EEABRN COc1ncc(Cl)c(NCC[S@](=O)Cc2ccccc2)n1 ZINC000095426265 218368463 /nfs/dbraw/zinc/36/84/63/218368463.db2.gz QWRWFSMARMAOLF-OAQYLSRUSA-N 0 0 325.821 2.499 40 0 EEABRN CC(=O)c1ccc(CNC(=O)CCn2c(C)c(C)sc2=O)nc1C ZINC000095448354 218392176 /nfs/dbraw/zinc/39/21/76/218392176.db2.gz IXTLZUJVSKLDEX-UHFFFAOYSA-N 0 0 347.440 2.139 40 0 EEABRN COc1cc(=O)n(Cc2nccn2C(F)F)cc1Br ZINC000095451619 218395790 /nfs/dbraw/zinc/39/57/90/218395790.db2.gz XEGLWXCFDSJUIF-UHFFFAOYSA-N 0 0 334.120 2.259 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 ZINC000096046135 218532661 /nfs/dbraw/zinc/53/26/61/218532661.db2.gz GOQHUTCLLURRLZ-APHBMKBZSA-N 0 0 329.425 2.459 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000096073756 218572464 /nfs/dbraw/zinc/57/24/64/218572464.db2.gz FDYHDXULKGKJFP-ACJLOTCBSA-N 0 0 344.390 2.425 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096098296 218591358 /nfs/dbraw/zinc/59/13/58/218591358.db2.gz XHJJGJRLWMFTSV-HNNXBMFYSA-N 0 0 330.409 2.160 40 0 EEABRN Cc1cc(CNC(=O)c2ccccc2Cl)nc(N2CCOCC2)n1 ZINC000096121284 218613439 /nfs/dbraw/zinc/61/34/39/218613439.db2.gz NOFWJJGULRQVEX-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN CCn1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3OC)=NO2)n1 ZINC000096193053 218662143 /nfs/dbraw/zinc/66/21/43/218662143.db2.gz OBJRYHHAFWTZBN-QGZVFWFLSA-N 0 0 328.372 2.433 40 0 EEABRN COCCc1nnc(SCc2cc(F)cc3cccnc32)n1N ZINC000096430397 218804459 /nfs/dbraw/zinc/80/44/59/218804459.db2.gz JAZPYTFIXCJEKL-UHFFFAOYSA-N 0 0 333.392 2.160 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C12CCCC2 ZINC000096432478 218808120 /nfs/dbraw/zinc/80/81/20/218808120.db2.gz GTUIQZARYXRKBV-BPLDGKMQSA-N 0 0 334.416 2.252 40 0 EEABRN Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3cccc(Cl)c3)CCO2)n1 ZINC000096432807 218808632 /nfs/dbraw/zinc/80/86/32/218808632.db2.gz BBLIFADVBXROLT-MRXNPFEDSA-N 0 0 348.834 2.018 40 0 EEABRN Cc1c2ccccc2[nH]c(=O)c1C(=O)N(C)Cc1nnc2ccccn21 ZINC000096454251 218837291 /nfs/dbraw/zinc/83/72/91/218837291.db2.gz OSOVUIQUVNGMRR-UHFFFAOYSA-N 0 0 347.378 2.151 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000096455124 218839140 /nfs/dbraw/zinc/83/91/40/218839140.db2.gz HHNABHVCVXDCNN-SRCQZFHVSA-N 0 0 336.480 2.328 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCN(c2nc(C(C)C)ns2)CC1 ZINC000096455780 218839832 /nfs/dbraw/zinc/83/98/32/218839832.db2.gz JCXQHKRRGWEKNX-UHFFFAOYSA-N 0 0 349.460 2.158 40 0 EEABRN COC(=O)c1ccc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)s1 ZINC000096476066 218853238 /nfs/dbraw/zinc/85/32/38/218853238.db2.gz BJXDZQROPLSNIU-UHFFFAOYSA-N 0 0 346.412 2.244 40 0 EEABRN CC(C)c1nc(NC(=O)c2cc(OCC(F)F)ccn2)n(C)n1 ZINC000096496085 218873889 /nfs/dbraw/zinc/87/38/89/218873889.db2.gz XDOJPMKMGCFWMI-UHFFFAOYSA-N 0 0 325.319 2.230 40 0 EEABRN Cc1cccc([C@H](C)CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000096500348 218875865 /nfs/dbraw/zinc/87/58/65/218875865.db2.gz PFLHPOGYBHSOOQ-HUUCEWRRSA-N 0 0 329.444 2.409 40 0 EEABRN CN(Cc1ccc(Br)c2cccnc12)S(C)(=O)=O ZINC000096501928 218878061 /nfs/dbraw/zinc/87/80/61/218878061.db2.gz MILZOWAMPFQQRW-UHFFFAOYSA-N 0 0 329.219 2.389 40 0 EEABRN CCc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cc3occc3n21 ZINC000005149314 210399841 /nfs/dbraw/zinc/39/98/41/210399841.db2.gz WAMQUIFMKFDKQK-UHFFFAOYSA-N 0 0 342.399 2.063 40 0 EEABRN O=C(NC[C@H]1CCCO1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004984098 210349130 /nfs/dbraw/zinc/34/91/30/210349130.db2.gz VCFDYXVHGICMDE-WISAJEAXSA-N 0 0 339.395 2.081 40 0 EEABRN C[C@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccncc1 ZINC000004929484 210326939 /nfs/dbraw/zinc/32/69/39/210326939.db2.gz DBTMYGOGNSEUBS-NSHDSACASA-N 0 0 343.337 2.491 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2 ZINC000004944364 210334637 /nfs/dbraw/zinc/33/46/37/210334637.db2.gz PNYHLNRZGIYYHW-LLVKDONJSA-N 0 0 331.397 2.365 40 0 EEABRN CCc1nc(SCC(=O)Nc2nc(C)c(C)s2)[nH]c(=O)c1C ZINC000004861696 210305845 /nfs/dbraw/zinc/30/58/45/210305845.db2.gz KEVDDFKXJVGECW-UHFFFAOYSA-N 0 0 338.458 2.445 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NCc1ccnn1C ZINC000097379264 219020241 /nfs/dbraw/zinc/02/02/41/219020241.db2.gz YYQDDOOGJMFPRQ-CQSZACIVSA-N 0 0 328.416 2.348 40 0 EEABRN CCN(CC)c1ccc2cc(C(=O)NCCCOC)c(=O)oc2c1 ZINC000408814229 257888138 /nfs/dbraw/zinc/88/81/38/257888138.db2.gz OKFICTHRRJAVIA-UHFFFAOYSA-N 0 0 332.400 2.406 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000408706608 533487392 /nfs/dbraw/zinc/48/73/92/533487392.db2.gz AMELDLWZRZNQKL-AWEZNQCLSA-N 0 0 326.396 2.231 40 0 EEABRN CCOC(=O)[C@@H](C(C)=O)C(c1ccccc1)[C@@H](C(C)=O)C(=O)OCC ZINC000015276803 285835127 /nfs/dbraw/zinc/83/51/27/285835127.db2.gz VJDMHFPDRYFKOU-SJPCQFCGSA-N 0 0 348.395 2.307 40 0 EEABRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)CC(=O)C[C@H]1C ZINC000100122094 286239763 /nfs/dbraw/zinc/23/97/63/286239763.db2.gz YIQRSAKVWZVLDN-QZTNRIJFSA-N 0 0 338.743 2.239 40 0 in-vitro EEABRN COc1ccccc1N1CC[C@H](NC(=O)NC[C@H](OC)C(C)C)C1 ZINC000362419109 164670925 /nfs/dbraw/zinc/67/09/25/164670925.db2.gz JPDJJTRUNXROAH-YOEHRIQHSA-N 0 0 335.448 2.244 40 0 EEABRN Cn1cncc1CNC(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000370672368 166507944 /nfs/dbraw/zinc/50/79/44/166507944.db2.gz DPSCRVBFTKUHTP-AWEZNQCLSA-N 0 0 332.379 2.312 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc3cc[nH]c32)C1 ZINC000096430677 292555952 /nfs/dbraw/zinc/55/59/52/292555952.db2.gz FFMSFIKGBOLLDN-ZFWWWQNUSA-N 0 0 343.427 2.171 40 0 EEABRN CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)[C@H](c2ccccc2)C1 ZINC000047404712 277106796 /nfs/dbraw/zinc/10/67/96/277106796.db2.gz OSHIFQFTIYFJNC-KRWDZBQOSA-N 0 0 341.455 2.252 40 0 EEABRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)CCN2CCCC2=O)cc1 ZINC000096407873 277268438 /nfs/dbraw/zinc/26/84/38/277268438.db2.gz BJVBIPFPARVABR-INIZCTEOSA-N 0 0 332.444 2.146 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2S(=O)(=O)c1ccccc1 ZINC000257229397 278052959 /nfs/dbraw/zinc/05/29/59/278052959.db2.gz FXYLJVQKXUMPOT-DOTOQJQBSA-N 0 0 336.457 2.098 40 0 EEABRN Cc1ncn(CC(=O)N(C)[C@H]2CCCc3ccccc32)c(=O)c1C ZINC000188211417 279176365 /nfs/dbraw/zinc/17/63/65/279176365.db2.gz UKFLDVNEZYIEKY-KRWDZBQOSA-N 0 0 325.412 2.396 40 0 EEABRN Cc1noc(C)c1CN1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042270 279248778 /nfs/dbraw/zinc/24/87/78/279248778.db2.gz MIYJTWWEUOPCFI-XYJFISCASA-N 0 0 329.400 2.497 40 0 EEABRN Cn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cn1 ZINC000253428463 279345901 /nfs/dbraw/zinc/34/59/01/279345901.db2.gz IWFIKPYNTPIYFI-CQSZACIVSA-N 0 0 346.412 2.477 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCN(c2ccnc3c(F)ccc(F)c23)CC1 ZINC000068658294 280087685 /nfs/dbraw/zinc/08/76/85/280087685.db2.gz YWPIZWITCFFDTL-HNNXBMFYSA-N 0 0 347.365 2.341 40 0 EEABRN Cc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccco2)n2nnnc2N3)cc1 ZINC000111999963 280733092 /nfs/dbraw/zinc/73/30/92/280733092.db2.gz SFUIRLBZFQBXBE-HNNXBMFYSA-N 0 0 347.338 2.432 40 0 EEABRN CC[C@](Br)([C@H](O)c1ccc(OC)cc1)S(C)(=O)=O ZINC000096521586 281282185 /nfs/dbraw/zinc/28/21/85/281282185.db2.gz CRMOLTFIFJKDMV-VXGBXAGGSA-N 0 0 337.235 2.274 40 0 EEABRN Cc1noc([C@H]2Cn3nccc3CN(C(=O)c3ccsc3)C2)n1 ZINC000096188859 293982897 /nfs/dbraw/zinc/98/28/97/293982897.db2.gz MJUIXJYOGCDDOT-GFCCVEGCSA-N 0 0 329.385 2.076 40 0 EEABRN Cn1cnc(-c2cccc(NC(=O)N3CCOC[C@@H]3C3CC3)c2)n1 ZINC000097096211 294442789 /nfs/dbraw/zinc/44/27/89/294442789.db2.gz AORMLVNSZODQIW-OAHLLOKOSA-N 0 0 327.388 2.125 40 0 EEABRN NC(=O)c1cc([C@H]2CCCCN2C(=O)c2nccc3ccccc32)n[nH]1 ZINC000225556510 295173549 /nfs/dbraw/zinc/17/35/49/295173549.db2.gz HIGAOVHIDBRUOU-MRXNPFEDSA-N 0 0 349.394 2.424 40 0 EEABRN O=C(c1ccncc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000084572893 304581026 /nfs/dbraw/zinc/58/10/26/304581026.db2.gz KGYJSBGKFVXWDI-HNNXBMFYSA-N 0 0 348.399 2.050 40 0 EEABRN O=C(N[C@@H]1CC12CCOCC2)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000333497191 312156633 /nfs/dbraw/zinc/15/66/33/312156633.db2.gz JTXSUSOXLQUDII-CZUORRHYSA-N 0 0 333.407 2.273 40 0 EEABRN CC(=O)C1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000559705658 318754546 /nfs/dbraw/zinc/75/45/46/318754546.db2.gz FOFWNSFGJZMDCN-UHFFFAOYSA-N 0 0 340.221 2.178 40 0 EEABRN Cc1c(CNC(=O)N2CCOC[C@@H]2C[C@@H](C)O)oc2ccccc12 ZINC000097095127 323320131 /nfs/dbraw/zinc/32/01/31/323320131.db2.gz ODBBXLJPWVADLK-OCCSQVGLSA-N 0 0 332.400 2.423 40 0 EEABRN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(Cl)c(F)c2)n1 ZINC000097098060 323320384 /nfs/dbraw/zinc/32/03/84/323320384.db2.gz ORMOQNRCSQZCDP-LBPRGKRZSA-N 0 0 325.727 2.384 40 0 EEABRN CCCn1c(C)nnc1CN1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000097372115 323322195 /nfs/dbraw/zinc/32/21/95/323322195.db2.gz SSBKBJCBYYMGOW-MRXNPFEDSA-N 0 0 347.850 2.323 40 0 EEABRN O=C(Nc1ccc2c(c1)CCCC(=O)N2)C1CN(CC(F)(F)F)C1 ZINC000390834047 323545437 /nfs/dbraw/zinc/54/54/37/323545437.db2.gz QWQBWCWMJXMYBP-UHFFFAOYSA-N 0 0 341.333 2.394 40 0 EEABRN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC(C)CC3)C2=O)cc1 ZINC000000121695 462543116 /nfs/dbraw/zinc/54/31/16/462543116.db2.gz OBGCMPBFYCSSHX-MRXNPFEDSA-N 0 0 329.400 2.009 40 0 EEABRN C[C@@H](O)CCN(C)C(=O)Nc1cccc(Cn2ccccc2=O)c1 ZINC000085581612 462554328 /nfs/dbraw/zinc/55/43/28/462554328.db2.gz OHRMKAASJFWDJD-CQSZACIVSA-N 0 0 329.400 2.131 40 0 EEABRN O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 ZINC000045070556 462556297 /nfs/dbraw/zinc/55/62/97/462556297.db2.gz ZFBAPIILPYWLOP-OBMJPTGESA-N 0 0 331.375 2.359 40 0 EEABRN Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1 ZINC000000421600 462561294 /nfs/dbraw/zinc/56/12/94/462561294.db2.gz DAROBQBBWUPLNL-UHFFFAOYSA-N 0 0 333.438 2.337 40 0 EEABRN CCc1nc(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)no1 ZINC000086202838 462568087 /nfs/dbraw/zinc/56/80/87/462568087.db2.gz INDRKTQWFLRUNI-CHWSQXEVSA-N 0 0 344.415 2.494 40 0 EEABRN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000001341988 462579237 /nfs/dbraw/zinc/57/92/37/462579237.db2.gz KKWMMRNIDUFUJL-OAHLLOKOSA-N 0 0 326.400 2.018 40 0 EEABRN O=C(CN1C(=O)C(=O)O/C1=C\c1ccccc1)OCc1ccccc1 ZINC000001707486 462584882 /nfs/dbraw/zinc/58/48/82/462584882.db2.gz XIMZNRXQVNEJMO-WJDWOHSUSA-N 0 0 337.331 2.114 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113966412 462618744 /nfs/dbraw/zinc/61/87/44/462618744.db2.gz RFRXPESLNIITND-NSHDSACASA-N 0 0 348.415 2.426 40 0 EEABRN CCc1c(C)nc2ncnn2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000004897978 462639898 /nfs/dbraw/zinc/63/98/98/462639898.db2.gz IKGRBBKYNUFGKZ-UHFFFAOYSA-N 0 0 340.406 2.461 40 0 EEABRN Cc1nn(C(C)C)c2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c12 ZINC000046087539 462646450 /nfs/dbraw/zinc/64/64/50/462646450.db2.gz GRWIQIOYEATZQF-UHFFFAOYSA-N 0 0 341.371 2.490 40 0 EEABRN COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000005251247 462651965 /nfs/dbraw/zinc/65/19/65/462651965.db2.gz ASUOACJRANPMBU-UHFFFAOYSA-N 0 0 326.352 2.037 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)[C@H](OC)c1ccccc1 ZINC000006441126 462686490 /nfs/dbraw/zinc/68/64/90/462686490.db2.gz QSYUTMDKSZARPF-QGZVFWFLSA-N 0 0 342.395 2.389 40 0 EEABRN Cc1cc(NC(=O)c2cc(S(=O)(=O)NC(C)C)c(C)s2)no1 ZINC000006680205 462695898 /nfs/dbraw/zinc/69/58/98/462695898.db2.gz IWJWHEVVGXGSTE-UHFFFAOYSA-N 0 0 343.430 2.292 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2nccs2)c1 ZINC000006680329 462697673 /nfs/dbraw/zinc/69/76/73/462697673.db2.gz SOACSAUWVNWDHE-UHFFFAOYSA-N 0 0 331.444 2.097 40 0 EEABRN CC(C)Cc1nnc2sc(NC(=O)COc3ccccc3)nn12 ZINC000006818213 462706799 /nfs/dbraw/zinc/70/67/99/462706799.db2.gz BUMFFJRFWNVLQK-UHFFFAOYSA-N 0 0 331.401 2.402 40 0 EEABRN COc1cccc(-c2cnc(CN3CCCC[C@@H]3CNC(N)=O)o2)c1 ZINC000075683049 462750779 /nfs/dbraw/zinc/75/07/79/462750779.db2.gz XBYLUBFRCPKFKH-CQSZACIVSA-N 0 0 344.415 2.373 40 0 EEABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2F)c1 ZINC000047329461 462769157 /nfs/dbraw/zinc/76/91/57/462769157.db2.gz IGVGXPHVLBIRQT-UHFFFAOYSA-N 0 0 340.351 2.434 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000008218545 462772758 /nfs/dbraw/zinc/77/27/58/462772758.db2.gz VNQAHIBORSJHTD-NSHDSACASA-N 0 0 344.864 2.456 40 0 EEABRN CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000008475940 462784849 /nfs/dbraw/zinc/78/48/49/462784849.db2.gz SWLMIRCXJYCVJO-GFCCVEGCSA-N 0 0 342.461 2.300 40 0 EEABRN CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000008476117 462784888 /nfs/dbraw/zinc/78/48/88/462784888.db2.gz KHBJXQIYSUYSJY-LBPRGKRZSA-N 0 0 340.445 2.008 40 0 EEABRN CCc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O ZINC000010541329 462820984 /nfs/dbraw/zinc/82/09/84/462820984.db2.gz RZDMYLCDXVMLMO-AWEZNQCLSA-N 0 0 338.473 2.274 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000012228410 462848194 /nfs/dbraw/zinc/84/81/94/462848194.db2.gz WGQGZMCDTHPLOZ-UHFFFAOYSA-N 0 0 339.374 2.441 40 0 EEABRN CC(C)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000076585586 462881167 /nfs/dbraw/zinc/88/11/67/462881167.db2.gz ICZHQQNAEHNLBU-UHFFFAOYSA-N 0 0 334.235 2.138 40 0 EEABRN CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015961383 462966366 /nfs/dbraw/zinc/96/63/66/462966366.db2.gz BQRAJRRESFBPSM-UHFFFAOYSA-N 0 0 332.853 2.265 40 0 EEABRN Cc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2[C@@H]2CCCO2)on1 ZINC000019123604 463014519 /nfs/dbraw/zinc/01/45/19/463014519.db2.gz ZMTJOFJMUYDZFZ-OCCSQVGLSA-N 0 0 330.388 2.253 40 0 EEABRN C[C@H](C(=O)N1CCC(c2cc3cccnc3[nH]2)CC1)N1CCCC1=O ZINC000019078007 463014873 /nfs/dbraw/zinc/01/48/73/463014873.db2.gz ZUFPZAFSUMGUPF-CYBMUJFWSA-N 0 0 340.427 2.280 40 0 EEABRN Cc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000022273077 463047945 /nfs/dbraw/zinc/04/79/45/463047945.db2.gz ZRBHGDJTNFUSBZ-UHFFFAOYSA-N 0 0 346.452 2.420 40 0 EEABRN O=C(COC[C@H]1CCCO1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000095395560 463074537 /nfs/dbraw/zinc/07/45/37/463074537.db2.gz IVVONEYBCRCNSZ-CYBMUJFWSA-N 0 0 336.363 2.087 40 0 EEABRN O=C(COc1ccccc1Br)NC[C@@H](O)c1ccco1 ZINC000095449048 463087036 /nfs/dbraw/zinc/08/70/36/463087036.db2.gz CHEJTFSEACKAQW-LLVKDONJSA-N 0 0 340.173 2.271 40 0 EEABRN COCc1nc2n(n1)C[C@H](NC(=O)NCC1(C)CCCCCC1)CC2 ZINC000095463897 463089811 /nfs/dbraw/zinc/08/98/11/463089811.db2.gz RLYPYZWAQPIIGA-CQSZACIVSA-N 0 0 349.479 2.399 40 0 EEABRN c1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041787 463146085 /nfs/dbraw/zinc/14/60/85/463146085.db2.gz KLUWYJKCWUYDKA-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN O=C(N1CCCC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042485 463147815 /nfs/dbraw/zinc/14/78/15/463147815.db2.gz WVBQKJYECCDZFX-ZACQAIPSSA-N 0 0 331.416 2.046 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1sccc1C ZINC000096045373 463148897 /nfs/dbraw/zinc/14/88/97/463148897.db2.gz QGZZGKUCGUBYPF-CQSZACIVSA-N 0 0 346.456 2.444 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049562 463153526 /nfs/dbraw/zinc/15/35/26/463153526.db2.gz FTNQPHNOUPAYAZ-IBGZPJMESA-N 0 0 341.411 2.434 40 0 EEABRN COc1ccc(CN2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)cc1 ZINC000096056693 463158855 /nfs/dbraw/zinc/15/88/55/463158855.db2.gz VZQPYYJUFHMRTB-CGTJXYLNSA-N 0 0 332.444 2.199 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1ccoc1)C2 ZINC000096060726 463161090 /nfs/dbraw/zinc/16/10/90/463161090.db2.gz YJEYEZIFGYSKKI-MRXNPFEDSA-N 0 0 339.399 2.119 40 0 EEABRN O=C(Cc1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096063878 463163645 /nfs/dbraw/zinc/16/36/45/463163645.db2.gz DFFAKDQXHCHHEB-CVEARBPZSA-N 0 0 341.436 2.088 40 0 EEABRN CN1C(=O)C[C@H](c2ccncc2)C12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096069794 463166067 /nfs/dbraw/zinc/16/60/67/463166067.db2.gz WMARVXDSJSAYFN-OAHLLOKOSA-N 0 0 338.411 2.030 40 0 EEABRN Cc1cccc(C(=O)N2CCCn3cnc(CN4CCCC4)c3C2)n1 ZINC000096084633 463171241 /nfs/dbraw/zinc/17/12/41/463171241.db2.gz VKTUQQOUZYSVAC-UHFFFAOYSA-N 0 0 339.443 2.228 40 0 EEABRN O=C(c1ncccn1)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106518 463175394 /nfs/dbraw/zinc/17/53/94/463175394.db2.gz YCEOISAYIUUPDJ-MRXNPFEDSA-N 0 0 345.443 2.162 40 0 EEABRN COc1ccc(C2(CNS(=O)(=O)c3cnn(C)c3)CCCC2)cc1 ZINC000096120254 463181429 /nfs/dbraw/zinc/18/14/29/463181429.db2.gz XOEKGFLWTGFPCI-UHFFFAOYSA-N 0 0 349.456 2.219 40 0 EEABRN COc1ccc(CNC(=O)Nc2cnn([C@@H]3CCOC3)c2)cc1OC ZINC000096123224 463182165 /nfs/dbraw/zinc/18/21/65/463182165.db2.gz WOYJRJYMBDZDOJ-CQSZACIVSA-N 0 0 346.387 2.183 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)c2nc3ccccc3s2)C1 ZINC000096121971 463182495 /nfs/dbraw/zinc/18/24/95/463182495.db2.gz HASHVWSISHXNMG-UHFFFAOYSA-N 0 0 338.454 2.192 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccco3)OCC(=O)N2C)cc1 ZINC000096181424 463194214 /nfs/dbraw/zinc/19/42/14/463194214.db2.gz XWWLTSDOYFHVHV-ROUUACIJSA-N 0 0 342.395 2.145 40 0 EEABRN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(F)c2)cn1 ZINC000096184612 463195424 /nfs/dbraw/zinc/19/54/24/463195424.db2.gz NQFCYQNQXYCXTH-DLBZAZTESA-N 0 0 328.391 2.048 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)cs1 ZINC000096186389 463197906 /nfs/dbraw/zinc/19/79/06/463197906.db2.gz ZWLNAJPWUJHZTP-KBPBESRZSA-N 0 0 336.461 2.135 40 0 EEABRN Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccsc1)CC2 ZINC000096187472 463198428 /nfs/dbraw/zinc/19/84/28/463198428.db2.gz CILFRLVVPAKIEL-UHFFFAOYSA-N 0 0 330.457 2.276 40 0 EEABRN Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC000096186794 463199486 /nfs/dbraw/zinc/19/94/86/463199486.db2.gz QMHJIXMDKZQUAE-SQNIBIBYSA-N 0 0 342.443 2.154 40 0 EEABRN CCOC[C@@H]1c2c(cnn2C)CCN1Cc1ccc2c(c1)OCO2 ZINC000096197737 463203580 /nfs/dbraw/zinc/20/35/80/463203580.db2.gz BIYVDPKIVQMJLY-OAHLLOKOSA-N 0 0 329.400 2.285 40 0 EEABRN Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)c1cccc(F)c1)C2 ZINC000096198590 463204485 /nfs/dbraw/zinc/20/44/85/463204485.db2.gz HKYTZLJNKNBBEV-AWEZNQCLSA-N 0 0 344.390 2.120 40 0 EEABRN Cc1ccoc1C(=O)NC[C@H]1Cn2nnc(-c3ccccc3)c2CO1 ZINC000096199280 463204667 /nfs/dbraw/zinc/20/46/67/463204667.db2.gz BUPJZQUNKGOYOG-AWEZNQCLSA-N 0 0 338.367 2.175 40 0 EEABRN Fc1cnc(N2CCC3(C[C@@H](OCc4ccccn4)CO3)CC2)nc1 ZINC000096208574 463212078 /nfs/dbraw/zinc/21/20/78/463212078.db2.gz QORQMVHRNOFGBO-MRXNPFEDSA-N 0 0 344.390 2.355 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 ZINC000096217681 463215265 /nfs/dbraw/zinc/21/52/65/463215265.db2.gz ZZDYGDFOPHFWCJ-KDOFPFPSSA-N 0 0 327.384 2.184 40 0 EEABRN COc1cc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)ncn1 ZINC000096216510 463215363 /nfs/dbraw/zinc/21/53/63/463215363.db2.gz WYJFKXHTNGPXOT-KRWDZBQOSA-N 0 0 345.472 2.434 40 0 EEABRN O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224490 463219071 /nfs/dbraw/zinc/21/90/71/463219071.db2.gz NHHLCROQAOKAHB-KXBFYZLASA-N 0 0 328.412 2.069 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC000096226518 463221489 /nfs/dbraw/zinc/22/14/89/463221489.db2.gz ZFLIGWPKBPDVAR-KRWDZBQOSA-N 0 0 344.440 2.050 40 0 EEABRN COCCn1c(C)nc2nnc3ccc(C(=O)NC(C)C)cc3c21 ZINC000096264278 463230960 /nfs/dbraw/zinc/23/09/60/463230960.db2.gz SAPVIQORIGJJML-UHFFFAOYSA-N 0 0 327.388 2.073 40 0 EEABRN O=C(c1cc(F)cc2nc[nH]c21)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000096402610 463238374 /nfs/dbraw/zinc/23/83/74/463238374.db2.gz SKCLSMWTOWYWPD-MRXNPFEDSA-N 0 0 338.342 2.015 40 0 EEABRN COCCn1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000096407033 463240530 /nfs/dbraw/zinc/24/05/30/463240530.db2.gz YSJUZBCSWVAFBY-OAHLLOKOSA-N 0 0 343.431 2.320 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N[C@@H]1c2ccccc2C[C@H]1C ZINC000096408679 463241857 /nfs/dbraw/zinc/24/18/57/463241857.db2.gz RNKVSEUHGOLACA-BZNIZROVSA-N 0 0 337.383 2.345 40 0 EEABRN CCc1ccc([C@H]2COCCN2CC(=O)N(C)Cc2ccco2)o1 ZINC000096413013 463244556 /nfs/dbraw/zinc/24/45/56/463244556.db2.gz SIDQMLSIIVFAIK-MRXNPFEDSA-N 0 0 332.400 2.467 40 0 EEABRN Cc1ccccc1CNC(=O)CNc1ccc(CC(=O)N(C)C)cc1 ZINC000096414792 463247177 /nfs/dbraw/zinc/24/71/77/463247177.db2.gz UOZXJBSPTNBNJT-UHFFFAOYSA-N 0 0 339.439 2.354 40 0 EEABRN COc1ncccc1CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000054649828 463251244 /nfs/dbraw/zinc/25/12/44/463251244.db2.gz QGBIOWCBEZAOEX-UHFFFAOYSA-N 0 0 348.790 2.182 40 0 EEABRN NC(=O)CSCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096420957 463251915 /nfs/dbraw/zinc/25/19/15/463251915.db2.gz PFJUXSWMIPMJTK-LLVKDONJSA-N 0 0 340.754 2.278 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000096423112 463253736 /nfs/dbraw/zinc/25/37/36/463253736.db2.gz JTSFQWYHEMXPDY-NWDGAFQWSA-N 0 0 332.297 2.066 40 0 EEABRN CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3nccn3C)C2=O)cc1 ZINC000096423680 463254037 /nfs/dbraw/zinc/25/40/37/463254037.db2.gz VELVHIAOULQWEC-INIZCTEOSA-N 0 0 340.427 2.213 40 0 EEABRN CCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423811 463254200 /nfs/dbraw/zinc/25/42/00/463254200.db2.gz RGIITYSQDVFIAB-CYBMUJFWSA-N 0 0 337.851 2.341 40 0 EEABRN Cc1ncc(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)s1 ZINC000096426287 463256264 /nfs/dbraw/zinc/25/62/64/463256264.db2.gz VXZJYVYGWXQIMC-INIZCTEOSA-N 0 0 349.431 2.280 40 0 EEABRN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)[C@@H](c2ccccc2)CO1 ZINC000096433371 463262000 /nfs/dbraw/zinc/26/20/00/463262000.db2.gz FCUFRCYUHWOKBL-UKRRQHHQSA-N 0 0 344.436 2.467 40 0 EEABRN CCc1ccc([C@@H](COC)NC(=O)Nc2nnc3ccccn32)o1 ZINC000096434691 463262478 /nfs/dbraw/zinc/26/24/78/463262478.db2.gz PQEYXQITJZBREJ-GFCCVEGCSA-N 0 0 329.360 2.394 40 0 EEABRN C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-n2cccn2)cc1 ZINC000096435140 463263567 /nfs/dbraw/zinc/26/35/67/463263567.db2.gz YASLTJHRUWOPHQ-CYBMUJFWSA-N 0 0 337.383 2.454 40 0 EEABRN Cn1cc(NC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cn1 ZINC000096435450 463263789 /nfs/dbraw/zinc/26/37/89/463263789.db2.gz NDFMNIKKCHXIGB-UHFFFAOYSA-N 0 0 342.338 2.056 40 0 EEABRN CS(=O)(=O)Cc1noc(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000096443280 463268938 /nfs/dbraw/zinc/26/89/38/463268938.db2.gz JYAHHXCIPYPOAK-OAHLLOKOSA-N 0 0 347.440 2.266 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000096445292 463269770 /nfs/dbraw/zinc/26/97/70/463269770.db2.gz FFFAHZZVHBYICX-WPRPVWTQSA-N 0 0 330.215 2.366 40 0 EEABRN Cn1c(CCCNc2cnn(C)c(=O)c2Cl)nc2ccccc21 ZINC000096452892 463273338 /nfs/dbraw/zinc/27/33/38/463273338.db2.gz ZVYQRPTXHYLUDS-UHFFFAOYSA-N 0 0 331.807 2.365 40 0 EEABRN C[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)C1CC1 ZINC000096452192 463273377 /nfs/dbraw/zinc/27/33/77/463273377.db2.gz QEEFWGYYQURAQV-CQSZACIVSA-N 0 0 347.434 2.411 40 0 EEABRN c1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 ZINC000029801236 463274740 /nfs/dbraw/zinc/27/47/40/463274740.db2.gz ZRYRUJCLCAWEHR-UHFFFAOYSA-N 0 0 334.427 2.044 40 0 EEABRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000096461894 463276785 /nfs/dbraw/zinc/27/67/85/463276785.db2.gz AGLNJHRERISPHL-UHFFFAOYSA-N 0 0 336.461 2.005 40 0 EEABRN Cc1ncsc1-c1nc(CSc2nnnn2CC(C)C)no1 ZINC000096471519 463278674 /nfs/dbraw/zinc/27/86/74/463278674.db2.gz LEZHRBZCNXRKEL-UHFFFAOYSA-N 0 0 337.434 2.436 40 0 EEABRN COc1ccc(Br)c(CC(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000096481533 463281297 /nfs/dbraw/zinc/28/12/97/463281297.db2.gz NWORLDMWVBPUES-HZMBPMFUSA-N 0 0 342.233 2.277 40 0 EEABRN CCc1noc(C)c1NC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000096494155 463287872 /nfs/dbraw/zinc/28/78/72/463287872.db2.gz SJCUKAMXJWQYSN-UHFFFAOYSA-N 0 0 338.452 2.368 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)NCCc2cscn2)CC1 ZINC000096503185 463293090 /nfs/dbraw/zinc/29/30/90/463293090.db2.gz BRNAWOYHOUDFRO-AWEZNQCLSA-N 0 0 345.472 2.169 40 0 EEABRN O=C1C[C@]23C=CCN4CC[C@@H]5c6cc7c(cc6N1[C@@]5(CC2)[C@@H]43)OCO7 ZINC000031166078 463326635 /nfs/dbraw/zinc/32/66/35/463326635.db2.gz DTBOGXTYLFTPCH-HOLAOCEGSA-N 0 0 336.391 2.412 40 0 biogenic,in-vitro EEABRN O=C(C[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000097227747 463349507 /nfs/dbraw/zinc/34/95/07/463349507.db2.gz LPDJZXOAKXRHLB-CQSZACIVSA-N 0 0 339.395 2.012 40 0 EEABRN CC[C@H](c1nnc(NC(=O)CN2CCOCC2)s1)c1ccccc1 ZINC000097234837 463352465 /nfs/dbraw/zinc/35/24/65/463352465.db2.gz NXRXDAPNZYOMBB-AWEZNQCLSA-N 0 0 346.456 2.351 40 0 EEABRN C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)C1 ZINC000097372846 463355789 /nfs/dbraw/zinc/35/57/89/463355789.db2.gz CHSLOJIBSWHEOZ-UAGQMJEPSA-N 0 0 342.443 2.116 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2cnccn2)CC1 ZINC000070930366 463394580 /nfs/dbraw/zinc/39/45/80/463394580.db2.gz VILGGKCCGKDWCW-OAHLLOKOSA-N 0 0 340.427 2.277 40 0 EEABRN Cc1ccc(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)s1 ZINC000057214074 463467034 /nfs/dbraw/zinc/46/70/34/463467034.db2.gz KHEMUCFNGJAXFZ-KRWDZBQOSA-N 0 0 343.408 2.292 40 0 EEABRN COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000072227913 463484379 /nfs/dbraw/zinc/48/43/79/463484379.db2.gz XEFOBVBEPYTFBK-CVEARBPZSA-N 0 0 346.770 2.493 40 0 EEABRN CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000072228079 463484399 /nfs/dbraw/zinc/48/43/99/463484399.db2.gz GQSLLKBRBRASEN-IRXDYDNUSA-N 0 0 326.352 2.229 40 0 EEABRN CN(Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000058013677 463534800 /nfs/dbraw/zinc/53/48/00/463534800.db2.gz NEUAFUQVQFGNMV-GFCCVEGCSA-N 0 0 345.848 2.120 40 0 EEABRN COCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000107688694 463577819 /nfs/dbraw/zinc/57/78/19/463577819.db2.gz DWWUNYMELKPQIG-HNNXBMFYSA-N 0 0 334.416 2.111 40 0 EEABRN Cc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)o1 ZINC000107738954 463581091 /nfs/dbraw/zinc/58/10/91/463581091.db2.gz OACJGUNKKLGUIH-WMZOPIPTSA-N 0 0 331.416 2.092 40 0 EEABRN C[C@@H]1CCN(C(=O)CN2CCCC[C@@H]2C(N)=O)c2ccccc2S1 ZINC000044867536 463696873 /nfs/dbraw/zinc/69/68/73/463696873.db2.gz NNLSIDDHAPQUNQ-UKRRQHHQSA-N 0 0 347.484 2.244 40 0 EEABRN COCCCNC(=O)c1cc(OC)cc(Br)c1OC ZINC000044895780 463699613 /nfs/dbraw/zinc/69/96/13/463699613.db2.gz SBSLAHKAYLBUEO-UHFFFAOYSA-N 0 0 332.194 2.233 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CCO2)ccn1 ZINC000257250075 463757347 /nfs/dbraw/zinc/75/73/47/463757347.db2.gz JKXCPZZMNKPSRJ-QGZVFWFLSA-N 0 0 339.395 2.193 40 0 EEABRN Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000257280449 463760206 /nfs/dbraw/zinc/76/02/06/463760206.db2.gz OKWYVMZNNWNEMS-AWEZNQCLSA-N 0 0 326.400 2.232 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)ccn1 ZINC000257286486 463763342 /nfs/dbraw/zinc/76/33/42/463763342.db2.gz PLTOHHFMDYVMNQ-INIZCTEOSA-N 0 0 341.459 2.220 40 0 EEABRN CN(c1ccncn1)C1CC2(C1)CCN(C(=O)c1cncs1)C2 ZINC000257290371 463765057 /nfs/dbraw/zinc/76/50/57/463765057.db2.gz QCSAIOQNBOCVOX-UHFFFAOYSA-N 0 0 329.429 2.064 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3cccn3C)CCN2C(C)=O)cc1 ZINC000257297437 463767863 /nfs/dbraw/zinc/76/78/63/463767863.db2.gz RHFXOPVCDWLYCT-GOSISDBHSA-N 0 0 341.411 2.079 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257299567 463768354 /nfs/dbraw/zinc/76/83/54/463768354.db2.gz RQOPIFYGYMHPBY-SFHVURJKSA-N 0 0 341.411 2.245 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257303639 463769816 /nfs/dbraw/zinc/76/98/16/463769816.db2.gz SIAKLUQPYMUXGC-ROJDOSBLSA-N 0 0 338.411 2.440 40 0 EEABRN Cc1c(CN2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)cnn1C ZINC000257303571 463770187 /nfs/dbraw/zinc/77/01/87/463770187.db2.gz SHSWSUIQTWDBDZ-SFHVURJKSA-N 0 0 343.475 2.023 40 0 EEABRN COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 ZINC000257310155 463771525 /nfs/dbraw/zinc/77/15/25/463771525.db2.gz UDWZQAHTTRQTKK-GFCCVEGCSA-N 0 0 347.444 2.256 40 0 EEABRN CCn1cc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cn1 ZINC000257326033 463778336 /nfs/dbraw/zinc/77/83/36/463778336.db2.gz WVMRDDKUXFMKBH-KRWDZBQOSA-N 0 0 329.404 2.039 40 0 EEABRN O=C(COc1ccc(F)cc1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257329203 463779089 /nfs/dbraw/zinc/77/90/89/463779089.db2.gz XIXZWUXRFOSFHM-CYBMUJFWSA-N 0 0 345.374 2.205 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccnc(N3CCCC3)c2)C1 ZINC000257343449 463787349 /nfs/dbraw/zinc/78/73/49/463787349.db2.gz ZTBZKFSOMXSFHG-OAHLLOKOSA-N 0 0 325.416 2.343 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260892752 463791896 /nfs/dbraw/zinc/79/18/96/463791896.db2.gz FRBZDKXOVMEAEE-RYUDHWBXSA-N 0 0 330.425 2.141 40 0 EEABRN Cn1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c1-n1cccc1 ZINC000186742623 464061590 /nfs/dbraw/zinc/06/15/90/464061590.db2.gz YKNYAOXIPBWLNZ-UHFFFAOYSA-N 0 0 336.351 2.315 40 0 EEABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCCO ZINC000222828983 464134300 /nfs/dbraw/zinc/13/43/00/464134300.db2.gz QRAKEVMHFWQCGP-ZDUSSCGKSA-N 0 0 340.851 2.356 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000223197691 464137416 /nfs/dbraw/zinc/13/74/16/464137416.db2.gz DBLHKDNRPUTSQT-AWEZNQCLSA-N 0 0 342.395 2.170 40 0 EEABRN CCCCNC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224181318 464148895 /nfs/dbraw/zinc/14/88/95/464148895.db2.gz ZMEJDPLSKDKUHN-OAHLLOKOSA-N 0 0 342.461 2.156 40 0 EEABRN CC(C)[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000225222738 464153813 /nfs/dbraw/zinc/15/38/13/464153813.db2.gz WIBNBZNOTVOLKC-CQSZACIVSA-N 0 0 338.473 2.387 40 0 EEABRN c1ccn(-n2c(CN3CCCCC3)nnc2CN2CCCCC2)c1 ZINC000225150989 464154030 /nfs/dbraw/zinc/15/40/30/464154030.db2.gz AUOPPQQLVPTJTH-UHFFFAOYSA-N 0 0 328.464 2.363 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225232556 464154496 /nfs/dbraw/zinc/15/44/96/464154496.db2.gz OICOQVDSVLZJIV-QWHCGFSZSA-N 0 0 342.461 2.010 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2ccc(C)nn2)C1 ZINC000225464788 464162281 /nfs/dbraw/zinc/16/22/81/464162281.db2.gz XMEUBGDTOZAKKM-HNNXBMFYSA-N 0 0 343.431 2.128 40 0 EEABRN CO[C@H](CNc1cc(N2CCOCC2)ncn1)c1ccc(F)cc1 ZINC000225480166 464163211 /nfs/dbraw/zinc/16/32/11/464163211.db2.gz NPCAIKJYDLBVOV-OAHLLOKOSA-N 0 0 332.379 2.252 40 0 EEABRN CN1C(=O)CCc2cc(CNc3cccnc3-n3cncn3)ccc21 ZINC000188461661 464286480 /nfs/dbraw/zinc/28/64/80/464286480.db2.gz AXNDNIQOYVNMTP-UHFFFAOYSA-N 0 0 334.383 2.183 40 0 EEABRN O=C(Nc1ccc2[nH]cnc2c1)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000239882108 464445612 /nfs/dbraw/zinc/44/56/12/464445612.db2.gz DAHARLXQSZZIIW-JKSUJKDBSA-N 0 0 342.399 2.062 40 0 EEABRN O=C(CNC(=O)[C@@H]1CCOc2ccc(Cl)cc21)Nc1cccnc1 ZINC000240412856 464446949 /nfs/dbraw/zinc/44/69/49/464446949.db2.gz FOJDDGKADYHEHN-CYBMUJFWSA-N 0 0 345.786 2.356 40 0 EEABRN O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000240668592 464448013 /nfs/dbraw/zinc/44/80/13/464448013.db2.gz HNQVXNIJOWFRNG-FZMZJTMJSA-N 0 0 337.782 2.484 40 0 EEABRN COC[C@@H]1CN(C(=O)[C@@](C)(O)CCc2ccccc2)CC(C)(C)O1 ZINC000285081777 464448568 /nfs/dbraw/zinc/44/85/68/464448568.db2.gz PSJIQJTYHRSVMF-LPHOPBHVSA-N 0 0 335.444 2.023 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1nnc2n1CCC2 ZINC000245339000 464470688 /nfs/dbraw/zinc/47/06/88/464470688.db2.gz PWZGALJDHOWNCK-BZPMIXESSA-N 0 0 337.493 2.457 40 0 EEABRN Cn1cc([C@H]2OCC[C@@H]2NC(=O)NC[C@H]2CCc3ccccc32)cn1 ZINC000190181904 464606588 /nfs/dbraw/zinc/60/65/88/464606588.db2.gz MOMSZHWSRLMNHS-FHLIZLRMSA-N 0 0 340.427 2.279 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@@H](C)[C@H]1CO)c1nc(-c2ccccc2)no1 ZINC000190780130 464719447 /nfs/dbraw/zinc/71/94/47/464719447.db2.gz HLWVFAFCCMPKOG-UMVBOHGHSA-N 0 0 344.415 2.252 40 0 EEABRN Cn1cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC000248135169 464732333 /nfs/dbraw/zinc/73/23/33/464732333.db2.gz OIHHFFSEWCAIRH-ZMSDIMECSA-N 0 0 348.472 2.073 40 0 EEABRN CO[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000191157867 464786766 /nfs/dbraw/zinc/78/67/66/464786766.db2.gz HGRNPGHSEJMIPA-NVXWUHKLSA-N 0 0 328.416 2.282 40 0 EEABRN CO[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000191237482 464805086 /nfs/dbraw/zinc/80/50/86/464805086.db2.gz KMVPOYSLXAMEKY-IRXDYDNUSA-N 0 0 328.416 2.298 40 0 EEABRN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c2ccccc21 ZINC000252494511 464967525 /nfs/dbraw/zinc/96/75/25/464967525.db2.gz NXQOJECRJPEVBC-IOASZLSFSA-N 0 0 336.457 2.454 40 0 EEABRN COC(=O)[C@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(C)c1 ZINC000192787140 464997629 /nfs/dbraw/zinc/99/76/29/464997629.db2.gz DDPDUBQXCJAJIZ-HZPDHXFCSA-N 0 0 336.407 2.337 40 0 EEABRN COC(=O)c1ccccc1CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000253420843 465009591 /nfs/dbraw/zinc/00/95/91/465009591.db2.gz WBMKQGNKPAHLJX-UHFFFAOYSA-N 0 0 344.367 2.097 40 0 EEABRN CS(=O)(=O)CC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000330392505 465641498 /nfs/dbraw/zinc/64/14/98/465641498.db2.gz PSFWJTZHZHHJNI-UHFFFAOYSA-N 0 0 333.812 2.172 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330781212 465801675 /nfs/dbraw/zinc/80/16/75/465801675.db2.gz FKJBTWACKOKINF-WDEREUQCSA-N 0 0 347.839 2.446 40 0 EEABRN Cc1ccnc(OC[C@@H]2CN(Cc3nccs3)Cc3cncn32)n1 ZINC000306125065 466487190 /nfs/dbraw/zinc/48/71/90/466487190.db2.gz CGBDNPAOJSALBI-AWEZNQCLSA-N 0 0 342.428 2.074 40 0 EEABRN O=C(C1CC1)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306139786 466493246 /nfs/dbraw/zinc/49/32/46/466493246.db2.gz UAKGTXVSMLWTSY-HNNXBMFYSA-N 0 0 339.443 2.446 40 0 EEABRN O=C1CCC(=O)N1c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000408722870 466682345 /nfs/dbraw/zinc/68/23/45/466682345.db2.gz XZRWAGKKFUPIGT-UHFFFAOYSA-N 0 0 348.355 2.280 40 0 EEABRN COc1ccc(CNC(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000390830974 467413331 /nfs/dbraw/zinc/41/33/31/467413331.db2.gz OSEGIXZTOIYCMB-HNNXBMFYSA-N 0 0 341.415 2.321 40 0 EEABRN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)CNC(N)=O ZINC000390833961 467414313 /nfs/dbraw/zinc/41/43/13/467414313.db2.gz PJPYWQFAWWCPSS-IFXJQAMLSA-N 0 0 337.423 2.260 40 0 EEABRN O=C(N1CC2(C1)C[C@H](Oc1ncccc1F)CS2)C1(F)CC1 ZINC000575403226 468140953 /nfs/dbraw/zinc/14/09/53/468140953.db2.gz GVOCJLWQTPQPJL-JTQLQIEISA-N 0 0 326.368 2.188 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@@H]4C)C3)C2)n1 ZINC000575405665 468141370 /nfs/dbraw/zinc/14/13/70/468141370.db2.gz TZYXYUWWOQKFDK-XKQJLSEDSA-N 0 0 330.428 2.323 40 0 EEABRN O=S(=O)(NCc1nc(C2CCSCC2)no1)c1ccccc1 ZINC000575608997 468147385 /nfs/dbraw/zinc/14/73/85/468147385.db2.gz XIWVCFVVPXRCNM-UHFFFAOYSA-N 0 0 339.442 2.159 40 0 EEABRN COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@@H]2C ZINC000585096710 468964525 /nfs/dbraw/zinc/96/45/25/468964525.db2.gz AWQUUDCZFHJGDF-CYBMUJFWSA-N 0 0 340.427 2.133 40 0 EEABRN O=C(CCc1ccc(Cl)cc1)N1Cc2ccnn2CC[C@H]1CO ZINC000585097176 468965651 /nfs/dbraw/zinc/96/56/51/468965651.db2.gz IFVCCZNZGGEFJT-INIZCTEOSA-N 0 0 333.819 2.263 40 0 EEABRN O=C(NCC[C@H]1CCOC12CN(Cc1ccoc1)C2)N1CCCC1 ZINC000585103109 468970720 /nfs/dbraw/zinc/97/07/20/468970720.db2.gz QKMDXPPXLVSBAD-INIZCTEOSA-N 0 0 333.432 2.066 40 0 EEABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccoc1)C2)N1CCCC1 ZINC000585103110 468971075 /nfs/dbraw/zinc/97/10/75/468971075.db2.gz QKMDXPPXLVSBAD-MRXNPFEDSA-N 0 0 333.432 2.066 40 0 EEABRN CCOCC(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC ZINC000585107483 468972390 /nfs/dbraw/zinc/97/23/90/468972390.db2.gz XGJRZNHTUSJYBW-IBGZPJMESA-N 0 0 340.427 2.176 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NC1CCC1)CN(Cc1cccs1)C2 ZINC000585110894 468973458 /nfs/dbraw/zinc/97/34/58/468973458.db2.gz VHCKSTBIDXDQLM-CQSZACIVSA-N 0 0 330.457 2.250 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)s1 ZINC000585111775 468974998 /nfs/dbraw/zinc/97/49/98/468974998.db2.gz HBGCPZZOBUQRRM-CQSZACIVSA-N 0 0 333.461 2.081 40 0 EEABRN Cc1noc(C2(NC(=O)c3cccc4c3O[C@H](C)C4)CCOCC2)n1 ZINC000585140141 468989083 /nfs/dbraw/zinc/98/90/83/468989083.db2.gz HIAHHOAZSTZCRS-LLVKDONJSA-N 0 0 343.383 2.137 40 0 EEABRN CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC000585278951 469005325 /nfs/dbraw/zinc/00/53/25/469005325.db2.gz XCJRRFNIJRRRNH-GOSISDBHSA-N 0 0 336.407 2.282 40 0 EEABRN CO[C@H]1CN(C(=O)CCc2nc(C)no2)CC[C@@H]1Cc1ccccc1 ZINC000585280147 469006736 /nfs/dbraw/zinc/00/67/36/469006736.db2.gz BSTVWPQPEYXBIX-SJORKVTESA-N 0 0 343.427 2.417 40 0 EEABRN CC1(C)C[C@]1(NC(=O)NCc1nc2ncccn2n1)c1ccccc1 ZINC000665142769 471954041 /nfs/dbraw/zinc/95/40/41/471954041.db2.gz MKYNVXQSUXSLBF-SFHVURJKSA-N 0 0 336.399 2.249 40 0 EEABRN O=C(NCCO)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408676290 534364216 /nfs/dbraw/zinc/36/42/16/534364216.db2.gz MXSBDQKVUJIANQ-UHFFFAOYSA-N 0 0 326.327 2.037 40 0 EEABRN c1cnc(-c2cnc(NC[C@H]3CCCO3)nc2[C@H]2CCCO2)cn1 ZINC000019403778 526540126 /nfs/dbraw/zinc/54/01/26/526540126.db2.gz KYYRMECDLHTKRK-IUODEOHRSA-N 0 0 327.388 2.376 40 0 EEABRN NC(=O)[C@@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000079310171 526971704 /nfs/dbraw/zinc/97/17/04/526971704.db2.gz HCZVLXJQIRRNIH-OAHLLOKOSA-N 0 0 342.370 2.352 40 0 EEABRN O=C(CSC(F)(F)F)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000046831899 527009641 /nfs/dbraw/zinc/00/96/41/527009641.db2.gz RRKQXAHUZFVVOB-UHFFFAOYSA-N 0 0 346.374 2.153 40 0 EEABRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000186541908 527894047 /nfs/dbraw/zinc/89/40/47/527894047.db2.gz WUTJZUVNRPFTGU-JKSUJKDBSA-N 0 0 341.411 2.227 40 0 EEABRN COC(=O)Cc1occc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000225805850 536374393 /nfs/dbraw/zinc/37/43/93/536374393.db2.gz ZCNRAXGAKPBWRM-UHFFFAOYSA-N 0 0 326.352 2.449 40 0 EEABRN COc1ccc(C)nc1NC(=O)NCc1nc2c(s1)COCC2 ZINC000930858031 1206588207 /nfs/dbraw/zinc/58/82/07/1206588207.db2.gz VAAHQTAABIOMSS-UHFFFAOYSA-N 0 0 334.401 2.250 40 0 EEABRN CC(C)[C@H](O)CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000934778968 1208028103 /nfs/dbraw/zinc/02/81/03/1208028103.db2.gz RZHFWKOCZOLEAB-GFCCVEGCSA-N 0 0 327.222 2.468 40 0 EEABRN Cc1c(Br)c(C(=O)NCCc2ccc(O)cc2)nn1C ZINC000028304192 1352374320 /nfs/dbraw/zinc/37/43/20/1352374320.db2.gz NCZCGKHULYVZPB-UHFFFAOYSA-N 0 0 338.205 2.169 40 0 EEABRN CCOc1cc(=O)n2c(c1C(=O)NCc1ccncc1)CCCCC2 ZINC000067245878 1354094097 /nfs/dbraw/zinc/09/40/97/1354094097.db2.gz PNWXPVRRLHQZHR-UHFFFAOYSA-N 0 0 341.411 2.298 40 0 EEABRN CCOC(=O)C(N=Nc1ccccc1Br)C(=O)OCC ZINC000103550917 1358339482 /nfs/dbraw/zinc/33/94/82/1358339482.db2.gz NHRFBDWKDOTXAD-UHFFFAOYSA-N 0 0 343.177 2.343 40 0 EEABRN O=C1NCCN(Cc2nncs2)[C@@H]1c1ccccc1C(F)(F)F ZINC001548453512 1124295043 /nfs/dbraw/zinc/29/50/43/1124295043.db2.gz BZOUHCVLLBVTEA-GFCCVEGCSA-N 0 0 342.346 2.230 40 0 EEABRN COC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000051880192 214106319 /nfs/dbraw/zinc/10/63/19/214106319.db2.gz MRIXQMOJJKIQMZ-CYBMUJFWSA-N 0 0 336.407 2.024 40 0 EEABRN COC(=O)c1ccc(OC[C@H](O)CN2CCc3ccccc32)cc1 ZINC000053398584 214180830 /nfs/dbraw/zinc/18/08/30/214180830.db2.gz OGKZHAJRPQXIHG-MRXNPFEDSA-N 0 0 327.380 2.276 40 0 EEABRN COc1ccc2nc(C)c(C(=O)NCCCN3CCOCC3)cc2c1 ZINC000055531307 214328359 /nfs/dbraw/zinc/32/83/59/214328359.db2.gz CUFCLDMSZFBSLR-UHFFFAOYSA-N 0 0 343.427 2.004 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCn2nc(C)c3ccccc32)CC1 ZINC000057279400 214414114 /nfs/dbraw/zinc/41/41/14/214414114.db2.gz BCAHSSAWMQKQKB-UHFFFAOYSA-N 0 0 344.415 2.036 40 0 EEABRN Cc1ccc(CN2C[C@@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)s1 ZINC000097952713 219063768 /nfs/dbraw/zinc/06/37/68/219063768.db2.gz LPOLXDCFTXQYEC-YCPHGPKFSA-N 0 0 347.440 2.206 40 0 EEABRN NC(=O)COc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000097995897 219066291 /nfs/dbraw/zinc/06/62/91/219066291.db2.gz IROABGYONJPYGV-OQLLNIDSSA-N 0 0 340.310 2.034 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000186559865 529857776 /nfs/dbraw/zinc/85/77/76/529857776.db2.gz QHIGCADVXVLVSW-LJQANCHMSA-N 0 0 346.471 2.464 40 0 EEABRN CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000004287981 210162805 /nfs/dbraw/zinc/16/28/05/210162805.db2.gz WKGWYXOWDBHMRS-UHFFFAOYSA-N 0 0 339.852 2.273 40 0 EEABRN COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000004293683 210161915 /nfs/dbraw/zinc/16/19/15/210161915.db2.gz BBHHZABAQRSDBH-QNRNLVPOSA-N 0 0 349.383 2.421 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])cc1C ZINC000004139441 210130637 /nfs/dbraw/zinc/13/06/37/210130637.db2.gz MGWTUZRQVAXALB-INIZCTEOSA-N 0 0 327.384 2.270 40 0 EEABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000068969111 215349882 /nfs/dbraw/zinc/34/98/82/215349882.db2.gz OYMSIWSLPQIIGE-NPJQDHAYSA-N 0 0 334.460 2.493 40 0 EEABRN CCn1c2ccc(S(=O)(=O)NCc3cccc(C)c3)cc2oc1=O ZINC000040640279 213362552 /nfs/dbraw/zinc/36/25/52/213362552.db2.gz CAHMYSAMAIGNQC-UHFFFAOYSA-N 0 0 346.408 2.401 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2oc1=O ZINC000040640359 213362179 /nfs/dbraw/zinc/36/21/79/213362179.db2.gz BPHJPZADQOHEST-UHFFFAOYSA-N 0 0 332.381 2.440 40 0 EEABRN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181539534 234223047 /nfs/dbraw/zinc/22/30/47/234223047.db2.gz VZHPQFWMOSRKDG-ROUUACIJSA-N 0 0 328.387 2.296 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c(C)c1 ZINC000040159333 213275609 /nfs/dbraw/zinc/27/56/09/213275609.db2.gz KMCKWSJQPCGCNR-UHFFFAOYSA-N 0 0 346.452 2.288 40 0 EEABRN Cc1cccc(COc2ccc([C@H](C)NC(=O)CNC(N)=O)cc2)c1 ZINC000069537131 215467049 /nfs/dbraw/zinc/46/70/49/215467049.db2.gz QPKCWVSVEZSYKC-AWEZNQCLSA-N 0 0 341.411 2.420 40 0 EEABRN O=C(NCCOc1cc(N2CCCCC2)ncn1)c1cccs1 ZINC000038520476 213214149 /nfs/dbraw/zinc/21/41/49/213214149.db2.gz YPMPUNXPHOCQRN-UHFFFAOYSA-N 0 0 332.429 2.337 40 0 EEABRN CN1c2ccccc2C2(CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000096243948 283265355 /nfs/dbraw/zinc/26/53/55/283265355.db2.gz GKQRKCXEIZTPOZ-MRXNPFEDSA-N 0 0 328.412 2.092 40 0 EEABRN Cc1cc(NC(=O)c2cc(C3CC3)nc3ncnn32)nn1CC(F)F ZINC000036619543 213103396 /nfs/dbraw/zinc/10/33/96/213103396.db2.gz KFKUYVLWGNJJHV-UHFFFAOYSA-N 0 0 347.329 2.024 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186996763 236089965 /nfs/dbraw/zinc/08/99/65/236089965.db2.gz YXRFZHNIUSXDGQ-GFCCVEGCSA-N 0 0 344.502 2.460 40 0 EEABRN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC2(CC1)OCCS2 ZINC000070637295 215701473 /nfs/dbraw/zinc/70/14/73/215701473.db2.gz RHMDUVBLDNGRQP-AWEZNQCLSA-N 0 0 346.452 2.122 40 0 EEABRN O=C(NCCOc1ncccc1Cl)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000096473497 237061709 /nfs/dbraw/zinc/06/17/09/237061709.db2.gz SBKMIWKRMUTWTC-KGLIPLIRSA-N 0 0 349.822 2.403 40 0 EEABRN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)cn1 ZINC000072241835 216080812 /nfs/dbraw/zinc/08/08/12/216080812.db2.gz PQAORPCRDMSLJR-HOCLYGCPSA-N 0 0 330.363 2.107 40 0 EEABRN COc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000072237913 216076904 /nfs/dbraw/zinc/07/69/04/216076904.db2.gz VGFYNYFMRUCJJJ-MSOLQXFVSA-N 0 0 340.379 2.232 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000107194119 219750163 /nfs/dbraw/zinc/75/01/63/219750163.db2.gz KWEVLEHEAYRDCM-HXUWFJFHSA-N 0 0 335.407 2.280 40 0 EEABRN CCn1cc(C(=O)N2CCN(Cc3ccco3)C[C@@H]2C(C)C)cn1 ZINC000072324108 216151133 /nfs/dbraw/zinc/15/11/33/216151133.db2.gz VFPFNTNVXVHNIG-QGZVFWFLSA-N 0 0 330.432 2.479 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340014 216158427 /nfs/dbraw/zinc/15/84/27/216158427.db2.gz PZIXUUIASOQODA-UHFFFAOYSA-N 0 0 344.342 2.073 40 0 EEABRN O=C(Cc1cccc(F)c1)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340019 216158545 /nfs/dbraw/zinc/15/85/45/216158545.db2.gz SLKGZDCOHYZXJG-UHFFFAOYSA-N 0 0 332.350 2.413 40 0 EEABRN Cc1cc(Cc2ccccc2)nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360620 216167878 /nfs/dbraw/zinc/16/78/78/216167878.db2.gz CWXNHZOTZSPIQS-MRXNPFEDSA-N 0 0 331.441 2.472 40 0 EEABRN COc1ccc(Nc2cc([C@H]3CCN3S(C)(=O)=O)nc(C)n2)cc1 ZINC000072387132 216185992 /nfs/dbraw/zinc/18/59/92/216185992.db2.gz KVDYGAZJRGUICH-OAHLLOKOSA-N 0 0 348.428 2.244 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000072382596 216182583 /nfs/dbraw/zinc/18/25/83/216182583.db2.gz RUQMXQYRBAENDM-CYBMUJFWSA-N 0 0 336.403 2.031 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)CN2CCCC2=O)s1 ZINC000072566471 216276179 /nfs/dbraw/zinc/27/61/79/216276179.db2.gz LDUQBHUZSBPPKN-QMMMGPOBSA-N 0 0 332.372 2.399 40 0 EEABRN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2ncon2)c1 ZINC000073096409 216348849 /nfs/dbraw/zinc/34/88/49/216348849.db2.gz XVTKBDATVWJZHY-HNNXBMFYSA-N 0 0 348.362 2.272 40 0 EEABRN O=C(NCc1cnn(-c2ccccc2)c1)C1(O)Cc2ccccc2C1 ZINC000073410695 216383618 /nfs/dbraw/zinc/38/36/18/216383618.db2.gz GMKULDYBAJWDOP-UHFFFAOYSA-N 0 0 333.391 2.018 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1 ZINC000195531720 240987565 /nfs/dbraw/zinc/98/75/65/240987565.db2.gz LNHYOAFGZYPQMV-IIYDPXPESA-N 0 0 335.423 2.073 40 0 EEABRN Cn1cc(C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)nn1 ZINC000219324095 241380531 /nfs/dbraw/zinc/38/05/31/241380531.db2.gz VORVDDUFEVSLJC-AWEZNQCLSA-N 0 0 338.383 2.414 40 0 EEABRN CNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1 ZINC000225441618 241863462 /nfs/dbraw/zinc/86/34/62/241863462.db2.gz HYBZZBFVVDBZSU-UHFFFAOYSA-N 0 0 328.391 2.094 40 0 EEABRN CCCn1c2ccc(S(=O)(=O)NCC(C)C)cc2sc1=O ZINC000225721342 242002153 /nfs/dbraw/zinc/00/21/53/242002153.db2.gz LNPYTVFREGGPMI-UHFFFAOYSA-N 0 0 328.459 2.407 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000225878155 242068434 /nfs/dbraw/zinc/06/84/34/242068434.db2.gz AMDUYHAHYWHRBH-BETUJISGSA-N 0 0 348.520 2.475 40 0 EEABRN CCS(=O)(=O)N(C)c1cccc(C(=O)NCc2ccccc2)c1 ZINC000225966789 242081820 /nfs/dbraw/zinc/08/18/20/242081820.db2.gz LMKZFRIMIOYXLC-UHFFFAOYSA-N 0 0 332.425 2.403 40 0 EEABRN COc1ccc([C@@H](CC(=O)Nc2ccccc2)NS(C)(=O)=O)cc1 ZINC000225955103 242082121 /nfs/dbraw/zinc/08/21/21/242082121.db2.gz QRWAMQXPFWFDDD-MRXNPFEDSA-N 0 0 348.424 2.314 40 0 EEABRN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020529021 212143368 /nfs/dbraw/zinc/14/33/68/212143368.db2.gz JNNDLBRNZWKASB-UHFFFAOYSA-N 0 0 343.349 2.492 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)nn1 ZINC000247905021 243479694 /nfs/dbraw/zinc/47/96/94/243479694.db2.gz JTDOPJCPVMEJHD-INIZCTEOSA-N 0 0 326.400 2.135 40 0 EEABRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCOC1 ZINC000252501497 243825032 /nfs/dbraw/zinc/82/50/32/243825032.db2.gz UGOGXKSSTBYYNS-GXFFZTMASA-N 0 0 325.206 2.448 40 0 EEABRN CC(C)OCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020493439 212139607 /nfs/dbraw/zinc/13/96/07/212139607.db2.gz RSXDROBDTCBIKQ-UHFFFAOYSA-N 0 0 348.852 2.256 40 0 EEABRN O=C(NCCO)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257202790 244122997 /nfs/dbraw/zinc/12/29/97/244122997.db2.gz ANKSTRVYYHJRBM-UHFFFAOYSA-N 0 0 340.423 2.196 40 0 EEABRN CCc1noc(CCC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000257219364 244177433 /nfs/dbraw/zinc/17/74/33/244177433.db2.gz DGNOFNLZVYLYIO-CQSZACIVSA-N 0 0 343.431 2.087 40 0 EEABRN COCCC(=O)N1CCN(C(C)=O)C[C@H]1c1ccc(OC(C)C)cc1 ZINC000257210357 244146825 /nfs/dbraw/zinc/14/68/25/244146825.db2.gz BUGWPQOHFCUNFY-SFHVURJKSA-N 0 0 348.443 2.242 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000257211154 244150537 /nfs/dbraw/zinc/15/05/37/244150537.db2.gz BXRZEARANLSZAQ-LBPRGKRZSA-N 0 0 325.459 2.358 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)co1 ZINC000257216456 244166202 /nfs/dbraw/zinc/16/62/02/244166202.db2.gz CUOVIIUARNIBAT-RDJZCZTQSA-N 0 0 334.347 2.167 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cc(F)ccc2F)n1 ZINC000257243990 244251556 /nfs/dbraw/zinc/25/15/56/244251556.db2.gz IJKWCZGTHFJJLE-CQSZACIVSA-N 0 0 348.353 2.319 40 0 EEABRN CS(=O)(=O)N1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257244729 244254209 /nfs/dbraw/zinc/25/42/09/244254209.db2.gz IMNQFAXAXCGSST-OAHLLOKOSA-N 0 0 327.421 2.199 40 0 EEABRN Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000257245129 244255859 /nfs/dbraw/zinc/25/58/59/244255859.db2.gz IOEBGMNQTHHBLI-AWEZNQCLSA-N 0 0 325.416 2.383 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000257239136 244237296 /nfs/dbraw/zinc/23/72/96/244237296.db2.gz HOCLZEZZMYDIDQ-INIZCTEOSA-N 0 0 330.432 2.357 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@H](O)c2sccc2C)cc1C ZINC000077172388 216851465 /nfs/dbraw/zinc/85/14/65/216851465.db2.gz ZVWMITFQVXVITO-ZDUSSCGKSA-N 0 0 341.454 2.385 40 0 EEABRN CO[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CC[C@@]12CCCO2 ZINC000257251952 244269743 /nfs/dbraw/zinc/26/97/43/244269743.db2.gz JSZDIQZURDNYIC-LPHOPBHVSA-N 0 0 345.443 2.092 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)C2)n1 ZINC000257257928 244288630 /nfs/dbraw/zinc/28/86/30/244288630.db2.gz KRRMILCVURAKHM-HNNXBMFYSA-N 0 0 337.427 2.403 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257268887 244370420 /nfs/dbraw/zinc/37/04/20/244370420.db2.gz MNQUUPDRXFXTPB-INIZCTEOSA-N 0 0 344.436 2.104 40 0 EEABRN CC(C)n1nccc1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257262179 244349271 /nfs/dbraw/zinc/34/92/71/244349271.db2.gz LKLHHMPXIFMWGI-CYBMUJFWSA-N 0 0 349.460 2.060 40 0 EEABRN O=C(NC[C@]1(O)CCCN(c2ccc(F)cn2)C1)C1CCCCC1 ZINC000257272550 244384442 /nfs/dbraw/zinc/38/44/42/244384442.db2.gz NCVURSLUGPRCHE-GOSISDBHSA-N 0 0 335.423 2.249 40 0 EEABRN CS(=O)(=O)N1CCC2(CO[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257274446 244388150 /nfs/dbraw/zinc/38/81/50/244388150.db2.gz NLBYIILGOOPFSA-OAHLLOKOSA-N 0 0 327.421 2.199 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)c4cn(C)nc4C)CC3)ccn2n1 ZINC000257276783 244395146 /nfs/dbraw/zinc/39/51/46/244395146.db2.gz NVBZNOBPLTZCOI-UHFFFAOYSA-N 0 0 338.415 2.099 40 0 EEABRN CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 ZINC000019947271 212089548 /nfs/dbraw/zinc/08/95/48/212089548.db2.gz WBOPDVSBPARLFR-UHFFFAOYSA-N 0 0 332.425 2.245 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257295670 244448172 /nfs/dbraw/zinc/44/81/72/244448172.db2.gz QZJPURJWHLZBGB-KRWDZBQOSA-N 0 0 329.375 2.018 40 0 EEABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4ccnc(=O)[nH]4)C3)ccc2[nH]1 ZINC000257321308 244519189 /nfs/dbraw/zinc/51/91/89/244519189.db2.gz WBBYOAQGVGFHEQ-ZDUSSCGKSA-N 0 0 337.383 2.387 40 0 EEABRN c1cnc(Nc2cncc([C@@H]3CCCN(c4cnccn4)C3)n2)cn1 ZINC000257313266 244498519 /nfs/dbraw/zinc/49/85/19/244498519.db2.gz URPIPEFDEPTXFX-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN COCC(=O)N1CCC2(C[C@@H](Cc3cccc(OC)c3)CO2)CC1 ZINC000257335851 244560567 /nfs/dbraw/zinc/56/05/67/244560567.db2.gz YMDMHCSWHGSRIQ-MRXNPFEDSA-N 0 0 333.428 2.282 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)CCCc2ccncc2)C1 ZINC000257328320 244540523 /nfs/dbraw/zinc/54/05/23/244540523.db2.gz XFCVRFRRCGOHNB-MRXNPFEDSA-N 0 0 339.443 2.258 40 0 EEABRN CC1(NC(=O)Cn2cc(NC(=O)c3ccc(F)cc3)cn2)CCC1 ZINC000019749420 212062418 /nfs/dbraw/zinc/06/24/18/212062418.db2.gz WMYPGYDDSOLFJJ-UHFFFAOYSA-N 0 0 330.363 2.333 40 0 EEABRN Cc1nonc1C(=O)N1CCC[C@@H](c2ccc(-c3cn[nH]c3)cn2)C1 ZINC000019688714 212056111 /nfs/dbraw/zinc/05/61/11/212056111.db2.gz AGPCSZDFDIBLMC-CYBMUJFWSA-N 0 0 338.371 2.183 40 0 EEABRN CNc1cc(CCNC(=O)C2CCCC2)nc(-c2ccncc2)n1 ZINC000019592299 212048844 /nfs/dbraw/zinc/04/88/44/212048844.db2.gz IFRSSHBRQMPXQR-UHFFFAOYSA-N 0 0 325.416 2.429 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000019573570 212045268 /nfs/dbraw/zinc/04/52/68/212045268.db2.gz VFYVJXYADLHGDX-CQSZACIVSA-N 0 0 331.441 2.260 40 0 EEABRN CCc1cc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)on1 ZINC000019522808 212036906 /nfs/dbraw/zinc/03/69/06/212036906.db2.gz SUBNOVHIZJECOS-UHFFFAOYSA-N 0 0 329.335 2.195 40 0 EEABRN O=C(c1cccnc1)N1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000077930503 217001980 /nfs/dbraw/zinc/00/19/80/217001980.db2.gz FRJXGRPWBYQBTF-UHFFFAOYSA-N 0 0 348.406 2.085 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 ZINC000019342039 212017734 /nfs/dbraw/zinc/01/77/34/212017734.db2.gz LKNJEKWBWOTVSP-LLVKDONJSA-N 0 0 329.385 2.299 40 0 EEABRN COC(=O)C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000050041975 214041309 /nfs/dbraw/zinc/04/13/09/214041309.db2.gz SCVGBLLFTOXSPI-UHFFFAOYSA-N 0 0 340.217 2.403 40 0 EEABRN Cc1nc([C@H]2CCCN(C(=O)c3ccnn3C)C2)c2sccn12 ZINC000019240776 212008526 /nfs/dbraw/zinc/00/85/26/212008526.db2.gz HRKUVJFOIILNPF-LBPRGKRZSA-N 0 0 329.429 2.458 40 0 EEABRN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000078653363 217095475 /nfs/dbraw/zinc/09/54/75/217095475.db2.gz USOLSTYBERENAU-YCINEILWSA-N 0 0 348.419 2.350 40 0 EEABRN O=C(N[C@@H](COc1ccccc1)c1ccccc1)[C@H]1CCC(=O)NC1 ZINC000078659415 217096692 /nfs/dbraw/zinc/09/66/92/217096692.db2.gz QWFIJAWFCZIRCN-WMZOPIPTSA-N 0 0 338.407 2.449 40 0 EEABRN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000078916756 217147041 /nfs/dbraw/zinc/14/70/41/217147041.db2.gz NXCORPJKEPMQED-HNNXBMFYSA-N 0 0 340.379 2.382 40 0 EEABRN CC(=O)Nc1cc(C(=O)NCC[S@](=O)c2ccccc2)ccc1F ZINC000078914641 217147645 /nfs/dbraw/zinc/14/76/45/217147645.db2.gz ULXVHLYUWVLCFR-XMMPIXPASA-N 0 0 348.399 2.322 40 0 EEABRN Cc1ccc(CCNC(=O)NCCC(=O)N2CCCCCC2)cn1 ZINC000078925313 217148747 /nfs/dbraw/zinc/14/87/47/217148747.db2.gz UNXFHOCGTXRXIA-UHFFFAOYSA-N 0 0 332.448 2.024 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000078926150 217150463 /nfs/dbraw/zinc/15/04/63/217150463.db2.gz GBTOBKUQTGYPOV-TZMCWYRMSA-N 0 0 334.420 2.451 40 0 EEABRN O=C(N[C@@H](Cc1ccccc1)C1CCCC1)N1CCO[C@@H](CO)C1 ZINC000078960854 217158542 /nfs/dbraw/zinc/15/85/42/217158542.db2.gz HBIFROJKLVLTEO-MSOLQXFVSA-N 0 0 332.444 2.191 40 0 EEABRN O=C(CSc1nccn1Cc1ccccn1)NCC(F)(F)F ZINC000079038078 217179456 /nfs/dbraw/zinc/17/94/56/217179456.db2.gz ZYGVZDYWXIWXIJ-UHFFFAOYSA-N 0 0 330.335 2.097 40 0 EEABRN CNC(=O)Nc1cccc(NC(=O)CNc2ccccc2OC)c1 ZINC000079042997 217180886 /nfs/dbraw/zinc/18/08/86/217180886.db2.gz MYBXLKVQSSPZQW-UHFFFAOYSA-N 0 0 328.372 2.497 40 0 EEABRN C[C@@H](C(=O)N(C)Cc1nnc2ccccn21)N1CCc2ccccc2C1 ZINC000079099015 217192766 /nfs/dbraw/zinc/19/27/66/217192766.db2.gz GLOIQRNODYHMTC-HNNXBMFYSA-N 0 0 349.438 2.135 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000079098291 217193048 /nfs/dbraw/zinc/19/30/48/217193048.db2.gz MRNJZGUTPOWWSF-VXGBXAGGSA-N 0 0 330.425 2.351 40 0 EEABRN Cn1cc(Br)cc(NC(=O)N[C@@H]2CC=CCC2)c1=O ZINC000083583430 217547566 /nfs/dbraw/zinc/54/75/66/217547566.db2.gz KIRVYHUPIYWCEY-SNVBAGLBSA-N 0 0 326.194 2.378 40 0 EEABRN CCOC(=O)[C@H](CSCSC)NC(=O)/C=C/c1cccnc1 ZINC000013214958 211535123 /nfs/dbraw/zinc/53/51/23/211535123.db2.gz JMJOGQHCDXTJHJ-YBJDMEARSA-N 0 0 340.470 2.196 40 0 EEABRN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)n1 ZINC000265601803 247632067 /nfs/dbraw/zinc/63/20/67/247632067.db2.gz LTZDSYLDCLAUMR-CYBMUJFWSA-N 0 0 333.823 2.496 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@@H]1C ZINC000012196191 211317868 /nfs/dbraw/zinc/31/78/68/211317868.db2.gz RZZPZTLJAJJRRI-XXFAHNHDSA-N 0 0 330.363 2.221 40 0 EEABRN CC(=O)c1csc(NC(=O)COc2ncnc3ccccc32)n1 ZINC000012198159 211317081 /nfs/dbraw/zinc/31/70/81/211317081.db2.gz WFBTVHMTHGQPMD-UHFFFAOYSA-N 0 0 328.353 2.306 40 0 EEABRN CN(C)c1ncc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000012148237 211308468 /nfs/dbraw/zinc/30/84/68/211308468.db2.gz ALEBEVZKSJTAPT-KRWDZBQOSA-N 0 0 333.395 2.457 40 0 EEABRN CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCOC)C1 ZINC000012145828 211306623 /nfs/dbraw/zinc/30/66/23/211306623.db2.gz IPHGQDYUTYFMAQ-AWEZNQCLSA-N 0 0 330.432 2.035 40 0 EEABRN Cn1nccc1CNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000091601664 218030754 /nfs/dbraw/zinc/03/07/54/218030754.db2.gz MYEGRQUEONXCCG-LSDHHAIUSA-N 0 0 334.807 2.403 40 0 EEABRN Cc1ccc(O)c(CN2CCN(Cc3nccn3C(F)F)CC2)n1 ZINC000092614402 218154270 /nfs/dbraw/zinc/15/42/70/218154270.db2.gz VWKNIAMTMGLEKJ-UHFFFAOYSA-N 0 0 337.374 2.005 40 0 EEABRN Cc1cc(C)nc(-n2nc3[nH]c(Cc4ccccc4)cc(O)c-3c2=O)n1 ZINC000009926404 211134718 /nfs/dbraw/zinc/13/47/18/211134718.db2.gz BWNJUTKVWPPECI-UHFFFAOYSA-N 0 0 347.378 2.005 40 0 EEABRN Cc1cccc(N2CCN(CCNC(=O)N(C)CC(F)F)CC2)c1 ZINC000095350182 218283492 /nfs/dbraw/zinc/28/34/92/218283492.db2.gz PUVMDQWBNKTCKY-UHFFFAOYSA-N 0 0 340.418 2.024 40 0 EEABRN NC(=O)[C@@H]1CCCCN1C(=O)CCSc1cc(F)ccc1F ZINC000095396432 218327908 /nfs/dbraw/zinc/32/79/08/218327908.db2.gz RNPSFGSIYSMGFT-LBPRGKRZSA-N 0 0 328.384 2.313 40 0 EEABRN Cc1cc(C)cc([C@H](C)NC(=O)CCC(=O)N2CCC(O)CC2)c1 ZINC000095451527 218395303 /nfs/dbraw/zinc/39/53/03/218395303.db2.gz LYAJFKCMSDEXFD-HNNXBMFYSA-N 0 0 332.444 2.244 40 0 EEABRN Fc1cnc(N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040359 218522599 /nfs/dbraw/zinc/52/25/99/218522599.db2.gz DUEZAYWWSGIIKG-MAUKXSAKSA-N 0 0 344.390 2.465 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096069649 218567431 /nfs/dbraw/zinc/56/74/31/218567431.db2.gz XKYBDVINRBLZLO-HNNXBMFYSA-N 0 0 339.395 2.262 40 0 EEABRN C[C@H]1c2ncc(COCc3cccnc3)n2CCN1C(=O)C1CC1 ZINC000096109861 218605039 /nfs/dbraw/zinc/60/50/39/218605039.db2.gz IDNMLJJBGGSWRV-ZDUSSCGKSA-N 0 0 326.400 2.308 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096199635 218670908 /nfs/dbraw/zinc/67/09/08/218670908.db2.gz PDBDMKRXIWTSII-KRWDZBQOSA-N 0 0 342.439 2.078 40 0 EEABRN C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cccs1)CC2 ZINC000096201588 218673959 /nfs/dbraw/zinc/67/39/59/218673959.db2.gz IODYOJFUNDUJLT-CYBMUJFWSA-N 0 0 348.468 2.380 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096201752 218674513 /nfs/dbraw/zinc/67/45/13/218674513.db2.gz ANKNCWRFJKFGTM-AUUYWEPGSA-N 0 0 339.395 2.498 40 0 EEABRN O=C([C@H]1CCCO1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255300 218725210 /nfs/dbraw/zinc/72/52/10/218725210.db2.gz FSZOVRMCALCQHM-QGZVFWFLSA-N 0 0 341.386 2.389 40 0 EEABRN CCn1nnc2cc(C(=O)NCCN(C)C(=O)OC(C)(C)C)ccc21 ZINC000096403307 218751380 /nfs/dbraw/zinc/75/13/80/218751380.db2.gz SIXNMFUJJIHHJQ-UHFFFAOYSA-N 0 0 347.419 2.048 40 0 EEABRN O=C1NC(=O)[C@H]2[C@H]1ON(c1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000169690197 296358792 /nfs/dbraw/zinc/35/87/92/296358792.db2.gz UUMBMHCEEMGNQQ-RBSFLKMASA-N 0 0 328.755 2.474 40 0 EEABRN Cc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cn1 ZINC000096420813 218785730 /nfs/dbraw/zinc/78/57/30/218785730.db2.gz HAGUALWXZWYNPG-KRWDZBQOSA-N 0 0 346.475 2.126 40 0 EEABRN CC[C@](C)(NC(=O)c1ccnc(-n2cncn2)c1)c1nc(C)cs1 ZINC000096423339 218790382 /nfs/dbraw/zinc/79/03/82/218790382.db2.gz KWMCMFIQOMEHSQ-INIZCTEOSA-N 0 0 342.428 2.482 40 0 EEABRN CCn1nc(C)c(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1C ZINC000096439908 218820144 /nfs/dbraw/zinc/82/01/44/218820144.db2.gz JXYRNCKRPSMPJZ-LLVKDONJSA-N 0 0 346.479 2.301 40 0 EEABRN NC(=O)[C@H](NCc1ccccn1)c1ccc(Br)cc1F ZINC000096436806 218816673 /nfs/dbraw/zinc/81/66/73/218816673.db2.gz FZENMTVQGHJLCS-CYBMUJFWSA-N 0 0 338.180 2.299 40 0 EEABRN Cn1cccc1C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454550 218838598 /nfs/dbraw/zinc/83/85/98/218838598.db2.gz AFUVMUMNDYQMRV-OAHLLOKOSA-N 0 0 339.317 2.174 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(F)cc1 ZINC000096519751 218882051 /nfs/dbraw/zinc/88/20/51/218882051.db2.gz NEGCESDVBRFTTE-BDAKNGLRSA-N 0 0 331.590 2.191 40 0 EEABRN CC[C@@H](CSC)NC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000096490577 218868113 /nfs/dbraw/zinc/86/81/13/218868113.db2.gz KVYJKIUWEUCWIM-NWDGAFQWSA-N 0 0 326.441 2.240 40 0 EEABRN O=C(Cn1nc(-c2cc3c(s2)CCCC3)oc1=O)N1CCCCC1 ZINC000005018986 210364143 /nfs/dbraw/zinc/36/41/43/210364143.db2.gz OJZDFJJVRJEALD-UHFFFAOYSA-N 0 0 347.440 2.456 40 0 EEABRN Cn1c(CCNC(=O)N2CCCC2)nnc1SCc1ccccc1 ZINC000005001756 210357218 /nfs/dbraw/zinc/35/72/18/210357218.db2.gz RSPGCXJWKINSTH-UHFFFAOYSA-N 0 0 345.472 2.455 40 0 EEABRN COc1ccccc1-n1nnc(C(=O)Nc2ccc(F)cc2F)c1N ZINC000004984923 210349190 /nfs/dbraw/zinc/34/91/90/210349190.db2.gz FLAHAYSSDMGYBH-UHFFFAOYSA-N 0 0 345.309 2.389 40 0 EEABRN Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)s2)o1 ZINC000097237738 219003123 /nfs/dbraw/zinc/00/31/23/219003123.db2.gz AXJFRGNEMCTHOI-CMPLNLGQSA-N 0 0 334.397 2.079 40 0 EEABRN Cc1c(CNc2nnc([C@@H]3COc4ccccc4O3)o2)cnn1C ZINC000097375452 219018086 /nfs/dbraw/zinc/01/80/86/219018086.db2.gz YWPAIGSUFUUJRW-AWEZNQCLSA-N 0 0 327.344 2.236 40 0 EEABRN COC(=O)C1(CNC(=O)N2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000181807771 533198088 /nfs/dbraw/zinc/19/80/88/533198088.db2.gz PTSANXNTRNCPGK-MRXNPFEDSA-N 0 0 346.427 2.155 40 0 EEABRN Cc1cc(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)n(C)n1 ZINC000057279875 132199091 /nfs/dbraw/zinc/19/90/91/132199091.db2.gz RJMMDLAAPHROLQ-INIZCTEOSA-N 0 0 330.413 2.194 40 0 EEABRN CC(C)[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O ZINC000035315377 132389745 /nfs/dbraw/zinc/38/97/45/132389745.db2.gz RTBNJHKTRDPSQO-KRWDZBQOSA-N 0 0 328.368 2.346 40 0 EEABRN Nc1nc(N2CCN(CC(F)(F)C(F)F)CC2)nc2ccccc12 ZINC000095449391 132822917 /nfs/dbraw/zinc/82/29/17/132822917.db2.gz PSFWUNXRJPNYHY-UHFFFAOYSA-N 0 0 343.328 2.234 40 0 EEABRN Cc1cccc(CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000243466505 160229906 /nfs/dbraw/zinc/22/99/06/160229906.db2.gz NKELHFDFNJMXGY-UHFFFAOYSA-N 0 0 335.407 2.451 40 0 EEABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C ZINC000223001356 292521134 /nfs/dbraw/zinc/52/11/34/292521134.db2.gz NUZZWJHUNCJUNQ-CVEARBPZSA-N 0 0 330.457 2.347 40 0 EEABRN CCN(CC)C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000375624096 167169091 /nfs/dbraw/zinc/16/90/91/167169091.db2.gz NFSIAALIPVMLQZ-UHFFFAOYSA-N 0 0 326.828 2.324 40 0 EEABRN O=C(NCC1(O)CCOCC1)c1cccc(Br)c1Cl ZINC000166735853 226168149 /nfs/dbraw/zinc/16/81/49/226168149.db2.gz AHXKOBMUUHPAEK-UHFFFAOYSA-N 0 0 348.624 2.374 40 0 EEABRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccccn1 ZINC000096415139 273838051 /nfs/dbraw/zinc/83/80/51/273838051.db2.gz LXXDPMYJYHAANY-UHFFFAOYSA-N 0 0 339.443 2.368 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 ZINC000085475675 288698754 /nfs/dbraw/zinc/69/87/54/288698754.db2.gz DJFKWJDUMCCCQJ-HOCLYGCPSA-N 0 0 330.363 2.200 40 0 EEABRN CN1CC[C@]2(CN(C(=O)c3ccncc3)C[C@H]2c2ccccc2)C1=O ZINC000096201851 290251823 /nfs/dbraw/zinc/25/18/23/290251823.db2.gz MKOPZONQXZSGRO-FXAWDEMLSA-N 0 0 335.407 2.170 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)OCC(=O)N2C)cc1 ZINC000096181497 301776445 /nfs/dbraw/zinc/77/64/45/301776445.db2.gz FJYYRUSYHUZOHJ-BMGDILEWSA-N 0 0 330.428 2.294 40 0 EEABRN O=C(N[C@H]1CC12CCOCC2)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000333497189 312156640 /nfs/dbraw/zinc/15/66/40/312156640.db2.gz JTXSUSOXLQUDII-CJNGLKHVSA-N 0 0 333.407 2.273 40 0 EEABRN Cc1cnccc1CCNC(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000533173938 317901557 /nfs/dbraw/zinc/90/15/57/317901557.db2.gz WSLWKOZTHBBSMI-UHFFFAOYSA-N 0 0 339.399 2.284 40 0 EEABRN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1-c1ncco1 ZINC000097104119 323320997 /nfs/dbraw/zinc/32/09/97/323320997.db2.gz MFDCQOIXHZXUGM-ZDUSSCGKSA-N 0 0 338.371 2.378 40 0 EEABRN COc1cc(OC)c(NC(=O)c2cnn(C)c2)cc1Br ZINC000097102473 323321580 /nfs/dbraw/zinc/32/15/80/323321580.db2.gz QEEOFLCVHLTHCZ-UHFFFAOYSA-N 0 0 340.177 2.452 40 0 EEABRN CCNC(=O)C1CN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000133745333 323329819 /nfs/dbraw/zinc/32/98/19/323329819.db2.gz RSEDJGZGLJOERS-LBPRGKRZSA-N 0 0 329.322 2.068 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NO[C@H]3CCCCO3)C2)cc1 ZINC000060333011 462541884 /nfs/dbraw/zinc/54/18/84/462541884.db2.gz AKBKMTYOQJHNAS-IRXDYDNUSA-N 0 0 346.427 2.422 40 0 EEABRN Cc1ccccc1C(=O)N1CCCSC[C@H]1CN1CCOCC1 ZINC000085473322 462550273 /nfs/dbraw/zinc/55/02/73/462550273.db2.gz CQKLRAICHJMBGJ-MRXNPFEDSA-N 0 0 334.485 2.275 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)N[C@@H](C)c1ccccc1)CS2 ZINC000085473630 462550522 /nfs/dbraw/zinc/55/05/22/462550522.db2.gz CJDUZCSLDUNZQJ-JSGCOSHPSA-N 0 0 329.425 2.151 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1 ZINC000000414975 462560117 /nfs/dbraw/zinc/56/01/17/462560117.db2.gz RLCJHICGDLZWML-AWEZNQCLSA-N 0 0 338.473 2.310 40 0 EEABRN COc1ccc(-n2nnnc2SCC(=O)N2CCC[C@H](C)C2)cc1 ZINC000000415616 462560439 /nfs/dbraw/zinc/56/04/39/462560439.db2.gz OJNPOYDJWMSVOE-LBPRGKRZSA-N 0 0 347.444 2.022 40 0 EEABRN CCCn1nnnc1SCC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000001357486 462580062 /nfs/dbraw/zinc/58/00/62/462580062.db2.gz CLGWKZXOJNDCFT-UHFFFAOYSA-N 0 0 348.432 2.162 40 0 EEABRN Nc1ccc(-c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000001372672 462580294 /nfs/dbraw/zinc/58/02/94/462580294.db2.gz OWIILWNMBSPLSN-UHFFFAOYSA-N 0 0 346.753 2.354 40 0 EEABRN CCc1noc(CC)c1CC(=O)N1CCC(C(=O)NC(C)C)CC1 ZINC000087232925 462596938 /nfs/dbraw/zinc/59/69/38/462596938.db2.gz DMBULSYELQCFIE-UHFFFAOYSA-N 0 0 335.448 2.105 40 0 EEABRN Cn1ncc(I)c1C(=O)N1CCCCCC1 ZINC000002807419 462603926 /nfs/dbraw/zinc/60/39/26/462603926.db2.gz TXGCFDZRNGUDRD-UHFFFAOYSA-N 0 0 333.173 2.041 40 0 EEABRN CCCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000113961952 462618927 /nfs/dbraw/zinc/61/89/27/462618927.db2.gz SZQYDWBKJXULPU-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN COC(=O)c1sccc1CN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000088504256 462633770 /nfs/dbraw/zinc/63/37/70/462633770.db2.gz QUAWKSLBFUTKRO-UHFFFAOYSA-N 0 0 347.440 2.257 40 0 EEABRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1)c1cccnc1 ZINC000006079899 462676553 /nfs/dbraw/zinc/67/65/53/462676553.db2.gz BHSUAZXXMHALST-UHFFFAOYSA-N 0 0 337.383 2.494 40 0 EEABRN O=S(=O)(N[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000006221850 462679991 /nfs/dbraw/zinc/67/99/91/462679991.db2.gz RVSWOYZSGMDSAF-NWDGAFQWSA-N 0 0 334.235 2.031 40 0 EEABRN O=C(NCC1(O)CCSCC1)c1ccc(Br)s1 ZINC000075260118 462700098 /nfs/dbraw/zinc/70/00/98/462700098.db2.gz OIAOPNKGSIHAEQ-UHFFFAOYSA-N 0 0 336.276 2.499 40 0 EEABRN CCc1ccc([C@@H](COC)NC(=O)c2nc3ccccc3c(=O)[nH]2)o1 ZINC000075490997 462722767 /nfs/dbraw/zinc/72/27/67/462722767.db2.gz PICNSFCAOODEDK-CQSZACIVSA-N 0 0 341.367 2.196 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1 ZINC000007345346 462731409 /nfs/dbraw/zinc/73/14/09/462731409.db2.gz KDAUONDAESSJDR-UHFFFAOYSA-N 0 0 341.389 2.124 40 0 EEABRN Cc1cccc(N(CCCC(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000008041107 462764194 /nfs/dbraw/zinc/76/41/94/462764194.db2.gz MSDUNWBFZVCHOY-UHFFFAOYSA-N 0 0 326.462 2.313 40 0 EEABRN O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1 ZINC000008559266 462787716 /nfs/dbraw/zinc/78/77/16/462787716.db2.gz JMACRQOJDRFQAX-UKRRQHHQSA-N 0 0 336.819 2.209 40 0 EEABRN Cc1ccc([C@](O)(CC(=O)N[C@H](C)c2cnn(C)c2)C(F)(F)F)o1 ZINC000091059775 462828705 /nfs/dbraw/zinc/82/87/05/462828705.db2.gz BJEUEJJDAXURKL-QMTHXVAHSA-N 0 0 345.321 2.339 40 0 EEABRN Cc1noc(C)c1CCC(=O)N[C@H](C)Cn1c2ccccc2oc1=O ZINC000012142001 462845182 /nfs/dbraw/zinc/84/51/82/462845182.db2.gz GFULEYJMJJGTMV-LLVKDONJSA-N 0 0 343.383 2.337 40 0 EEABRN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCc1ccccc1 ZINC000014001015 462907420 /nfs/dbraw/zinc/90/74/20/462907420.db2.gz MMGVTEWXWIJONZ-UHFFFAOYSA-N 0 0 332.363 2.194 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000014400027 462926757 /nfs/dbraw/zinc/92/67/57/462926757.db2.gz CHMDJHDNPSDITB-GFCCVEGCSA-N 0 0 340.807 2.408 40 0 EEABRN O=c1nc(-c2ccc(F)cc2)c(-c2nnnn2-c2ccccc2)c[nH]1 ZINC000016523875 462982104 /nfs/dbraw/zinc/98/21/04/462982104.db2.gz JNXXGGRMINPMFP-UHFFFAOYSA-N 0 0 334.314 2.219 40 0 EEABRN CC1CCN(c2nc(CNC(=O)C3CCCCC3)cc(=O)[nH]2)CC1 ZINC000019497049 463018303 /nfs/dbraw/zinc/01/83/03/463018303.db2.gz NXSWVYRHALUNNA-UHFFFAOYSA-N 0 0 332.448 2.203 40 0 EEABRN COC(=O)[C@H]1SC(c2ccccc2)=C(C)[C@H]2C1C(=O)C(=O)N2OC ZINC000019691681 463019672 /nfs/dbraw/zinc/01/96/72/463019672.db2.gz NHQMETNLVFSHSR-WFASDCNBSA-N 0 0 347.392 2.290 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)[nH]n1 ZINC000019709087 463021256 /nfs/dbraw/zinc/02/12/56/463021256.db2.gz LGYIUPIOQRPIPL-QGZVFWFLSA-N 0 0 344.463 2.306 40 0 EEABRN C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cn2ccccc2=O)cc1 ZINC000077684694 463022921 /nfs/dbraw/zinc/02/29/21/463022921.db2.gz ZBAIHNKOJLMKQA-UONOGXRCSA-N 0 0 329.400 2.035 40 0 EEABRN COC(=O)C1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000134382223 463032073 /nfs/dbraw/zinc/03/20/73/463032073.db2.gz USPCDVVVCGRWHK-OAHLLOKOSA-N 0 0 335.375 2.051 40 0 EEABRN CN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000095447943 463087524 /nfs/dbraw/zinc/08/75/24/463087524.db2.gz DBJOERSMEDIVLD-LSDHHAIUSA-N 0 0 335.423 2.472 40 0 EEABRN CCOc1ccc([C@H](N)c2nc(-c3ccccn3)n[nH]2)cc1OC ZINC000095534248 463106566 /nfs/dbraw/zinc/10/65/66/463106566.db2.gz QGYWUIFHSNJVOC-HNNXBMFYSA-N 0 0 325.372 2.322 40 0 EEABRN COc1ccc([C@@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)cc1 ZINC000095533695 463106608 /nfs/dbraw/zinc/10/66/08/463106608.db2.gz GVRCWORNNLOXLV-QGZVFWFLSA-N 0 0 339.399 2.482 40 0 EEABRN Cc1nc(C)c(CCNC(=O)NCCc2cn3c(n2)CCCC3)s1 ZINC000078714666 463142849 /nfs/dbraw/zinc/14/28/49/463142849.db2.gz YULBMZBBZGEULV-UHFFFAOYSA-N 0 0 347.488 2.377 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096039041 463144132 /nfs/dbraw/zinc/14/41/32/463144132.db2.gz QRCSWIIKJRWRNV-IEBWSBKVSA-N 0 0 333.428 2.282 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096045187 463149273 /nfs/dbraw/zinc/14/92/73/463149273.db2.gz XCUMUXBDHYHTAI-ZDUSSCGKSA-N 0 0 343.383 2.018 40 0 EEABRN CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044599 463149506 /nfs/dbraw/zinc/14/95/06/463149506.db2.gz QTBHWTIUJXPZRR-CQSZACIVSA-N 0 0 329.400 2.285 40 0 EEABRN CC[C@H]1N(S(=O)(=O)Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC000096045690 463150674 /nfs/dbraw/zinc/15/06/74/463150674.db2.gz AOEXAZHOHSDFQT-WBVHZDCISA-N 0 0 336.457 2.040 40 0 EEABRN O=C(c1ccsc1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048373 463151574 /nfs/dbraw/zinc/15/15/74/463151574.db2.gz SJZMVELGZCFRIL-WMLDXEAASA-N 0 0 344.440 2.414 40 0 EEABRN O=C(c1ccco1)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 ZINC000096058132 463160535 /nfs/dbraw/zinc/16/05/35/463160535.db2.gz KOCFOVWXWGFJLZ-USXIJHARSA-N 0 0 328.368 2.263 40 0 EEABRN O=C(N1CCCC1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065734 463164428 /nfs/dbraw/zinc/16/44/28/463164428.db2.gz ZVAWIQYGHDRAKA-ULQDDVLXSA-N 0 0 331.416 2.046 40 0 EEABRN CCOC[C@H]1Cn2ccnc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096066811 463164604 /nfs/dbraw/zinc/16/46/04/463164604.db2.gz TWUJBFZQSHXFBJ-OAHLLOKOSA-N 0 0 329.400 2.280 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC000096071250 463165884 /nfs/dbraw/zinc/16/58/84/463165884.db2.gz XQBWNYMPKLAZPL-LJQANCHMSA-N 0 0 339.395 2.472 40 0 EEABRN c1cncc(CO[C@H]2CO[C@]3(C2)CCCN(c2cnccn2)C3)c1 ZINC000096073600 463167395 /nfs/dbraw/zinc/16/73/95/463167395.db2.gz TYABHGGHMAJQOI-AEFFLSMTSA-N 0 0 326.400 2.216 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)CC1CC1)C2 ZINC000096075073 463169497 /nfs/dbraw/zinc/16/94/97/463169497.db2.gz LIEJCMXBONLZCA-VQIMIIECSA-N 0 0 327.428 2.079 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](C)O)[C@@H](C)C2 ZINC000135552831 463174525 /nfs/dbraw/zinc/17/45/25/463174525.db2.gz DDIRMMHIDDARNA-JSSFPYSZSA-N 0 0 332.444 2.410 40 0 EEABRN COCCC(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106497 463175509 /nfs/dbraw/zinc/17/55/09/463175509.db2.gz VJYJLWVTUPABJQ-INIZCTEOSA-N 0 0 325.449 2.095 40 0 EEABRN O=C(c1ccncn1)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109257 463178548 /nfs/dbraw/zinc/17/85/48/463178548.db2.gz DQPQOPRLISYMPG-APWZRJJASA-N 0 0 338.411 2.331 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)cn3)OCC(=O)N2C)cc1 ZINC000096181491 463194212 /nfs/dbraw/zinc/19/42/12/463194212.db2.gz SXVWRWRPPCHEDG-MSOLQXFVSA-N 0 0 339.395 2.235 40 0 EEABRN Cc1nc(NC(=O)COCc2nc(-c3ccncc3)no2)sc1C ZINC000096182509 463194699 /nfs/dbraw/zinc/19/46/99/463194699.db2.gz REAUKDOZERDVGU-UHFFFAOYSA-N 0 0 345.384 2.360 40 0 EEABRN Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cc1 ZINC000096184111 463196333 /nfs/dbraw/zinc/19/63/33/463196333.db2.gz LFRHJAWLCHCULX-ZWKOTPCHSA-N 0 0 335.407 2.339 40 0 EEABRN CCC(=O)N[C@H]1CCc2c(ccc(=O)n2Cc2csc(C)n2)C1 ZINC000096196603 463201654 /nfs/dbraw/zinc/20/16/54/463201654.db2.gz UQXMQTWENJCCDF-ZDUSSCGKSA-N 0 0 331.441 2.045 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(C(=O)COc1ccccc1C)C2 ZINC000096198079 463204097 /nfs/dbraw/zinc/20/40/97/463204097.db2.gz RVYNRKASPBTITF-INIZCTEOSA-N 0 0 343.427 2.363 40 0 EEABRN Cc1cc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)on1 ZINC000096209241 463211459 /nfs/dbraw/zinc/21/14/59/463211459.db2.gz NVBDWUQUCHNXEL-RDTXWAMCSA-N 0 0 342.399 2.254 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@]3(C2)CCCN(c2nncs2)C3)c1 ZINC000096217183 463215224 /nfs/dbraw/zinc/21/52/24/463215224.db2.gz RWAVHSCOOPSUAN-KRWDZBQOSA-N 0 0 343.456 2.374 40 0 EEABRN CCN(C)c1ccnc([C@@H]2COCCN2Cc2scnc2C)n1 ZINC000096217101 463215241 /nfs/dbraw/zinc/21/52/41/463215241.db2.gz AHYFSQRUGOMVOM-ZDUSSCGKSA-N 0 0 333.461 2.271 40 0 EEABRN CC(C)NC(=O)N1CCC[C@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 ZINC000096223519 463219372 /nfs/dbraw/zinc/21/93/72/463219372.db2.gz GJYNGZYRXKXTFY-HKUYNNGSSA-N 0 0 346.475 2.255 40 0 EEABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NC3CC3)ccc21 ZINC000028206509 463219925 /nfs/dbraw/zinc/21/99/25/463219925.db2.gz HUBOOBQNRGKCAU-UHFFFAOYSA-N 0 0 342.420 2.330 40 0 EEABRN O=C([C@H]1CCCO1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226285 463220913 /nfs/dbraw/zinc/22/09/13/463220913.db2.gz CBJHGMTXOODUHR-MJGOQNOKSA-N 0 0 348.418 2.203 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)NC3CCC3)=NO2)C1 ZINC000096225565 463221052 /nfs/dbraw/zinc/22/10/52/463221052.db2.gz HXNWYTXZMKMFKJ-QGZVFWFLSA-N 0 0 347.440 2.086 40 0 EEABRN Cc1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nn1 ZINC000096228217 463221850 /nfs/dbraw/zinc/22/18/50/463221850.db2.gz SBFPLSGQNPJPAI-UHFFFAOYSA-N 0 0 337.427 2.342 40 0 EEABRN O=C(Cc1ccccn1)N1CCc2ncnc(-c3ccoc3)c2CC1 ZINC000096255169 463228150 /nfs/dbraw/zinc/22/81/50/463228150.db2.gz NXLXCCREPXJWAM-UHFFFAOYSA-N 0 0 334.379 2.302 40 0 EEABRN COc1cc(N2CCN(CC3CC3)c3nc(C)ccc3C2)ncn1 ZINC000096260867 463231649 /nfs/dbraw/zinc/23/16/49/463231649.db2.gz OPBXZYIAISELDV-UHFFFAOYSA-N 0 0 325.416 2.425 40 0 EEABRN COc1cc(C[C@H]2c3cc(O)c(OC)cc3CCN2C=O)ccc1O ZINC000096316364 463235033 /nfs/dbraw/zinc/23/50/33/463235033.db2.gz CYFNRRXJGQEHKV-HNNXBMFYSA-N 0 0 343.379 2.413 40 0 biogenic,in-vitro EEABRN Cc1nc(C2(NC(=O)CCNC(=O)[C@@H]3C[C@H]3C)CCCCCC2)no1 ZINC000096402309 463237044 /nfs/dbraw/zinc/23/70/44/463237044.db2.gz POQUSKVNSKCBEL-TZMCWYRMSA-N 0 0 348.447 2.206 40 0 EEABRN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407600 463241507 /nfs/dbraw/zinc/24/15/07/463241507.db2.gz DNQKRKYRHHASFD-ZFWWWQNUSA-N 0 0 349.450 2.462 40 0 EEABRN Cc1csc(CCCNC(=O)NCC[S@](=O)C(C)(C)C)n1 ZINC000096408851 463241801 /nfs/dbraw/zinc/24/18/01/463241801.db2.gz FJNVZEVIZINEJZ-OAQYLSRUSA-N 0 0 331.507 2.231 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000096409027 463243049 /nfs/dbraw/zinc/24/30/49/463243049.db2.gz GLZHZXIZHGZCRI-GFCCVEGCSA-N 0 0 346.406 2.160 40 0 EEABRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC000096411299 463243674 /nfs/dbraw/zinc/24/36/74/463243674.db2.gz IPTYFOSSZMVEMJ-RDJZCZTQSA-N 0 0 332.444 2.374 40 0 EEABRN CCc1ccc([C@H]2COCCN2Cc2nnnn2-c2ccccc2)o1 ZINC000096413005 463245158 /nfs/dbraw/zinc/24/51/58/463245158.db2.gz OYCKWNJXYBPHBD-MRXNPFEDSA-N 0 0 339.399 2.391 40 0 EEABRN CCc1nc(CCNC(=O)NCC[C@H](O)C(F)(F)F)sc1C ZINC000096413310 463245844 /nfs/dbraw/zinc/24/58/44/463245844.db2.gz YQAUVEYWIFQNET-JTQLQIEISA-N 0 0 339.383 2.169 40 0 EEABRN CCc1cc(CNC(=O)N[C@H](c2nccn2C)c2ccccc2)[nH]n1 ZINC000096413272 463245980 /nfs/dbraw/zinc/24/59/80/463245980.db2.gz MMJMFFBPBXDWAD-INIZCTEOSA-N 0 0 338.415 2.294 40 0 EEABRN O=C(NCCNc1ccccn1)c1cccc(Nc2cnccn2)c1 ZINC000096415607 463248206 /nfs/dbraw/zinc/24/82/06/463248206.db2.gz IQPOQPGKWSCJPK-UHFFFAOYSA-N 0 0 334.383 2.457 40 0 EEABRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cn[nH]n1 ZINC000096420910 463251378 /nfs/dbraw/zinc/25/13/78/463251378.db2.gz NBQHCUBZVXXPEQ-UHFFFAOYSA-N 0 0 335.205 2.371 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)CC(F)(F)F)C1 ZINC000096420481 463251678 /nfs/dbraw/zinc/25/16/78/463251678.db2.gz GPDJCIXKGZZCCQ-GFCCVEGCSA-N 0 0 337.386 2.475 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)CC(F)(F)F)C1 ZINC000096420482 463251743 /nfs/dbraw/zinc/25/17/43/463251743.db2.gz GPDJCIXKGZZCCQ-LBPRGKRZSA-N 0 0 337.386 2.475 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)NC[C@](C)(O)c2cnn(C)c2)c(C)s1 ZINC000096421425 463253012 /nfs/dbraw/zinc/25/30/12/463253012.db2.gz GHRABHQKFNEADS-BZNIZROVSA-N 0 0 336.461 2.366 40 0 EEABRN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(Cl)nc2)c1 ZINC000096423156 463254236 /nfs/dbraw/zinc/25/42/36/463254236.db2.gz UNPDHGJTRPJLPF-UHFFFAOYSA-N 0 0 331.803 2.409 40 0 EEABRN CCCc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)n[nH]1 ZINC000096426473 463255996 /nfs/dbraw/zinc/25/59/96/463255996.db2.gz FXTFGRVFTMBZDR-OAHLLOKOSA-N 0 0 341.415 2.391 40 0 EEABRN COc1cccc(-c2noc(N(C)Cc3nnc4ccccn43)n2)c1 ZINC000096427345 463257310 /nfs/dbraw/zinc/25/73/10/463257310.db2.gz QTTKMDRJPBPAQW-UHFFFAOYSA-N 0 0 336.355 2.424 40 0 EEABRN Cn1nc(Br)c2c1ncn(CCc1ccccc1)c2=O ZINC000096430165 463259570 /nfs/dbraw/zinc/25/95/70/463259570.db2.gz FEDOGRIAVQBYSL-UHFFFAOYSA-N 0 0 333.189 2.135 40 0 EEABRN CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(OC)nn1 ZINC000096431765 463261201 /nfs/dbraw/zinc/26/12/01/463261201.db2.gz LCILSZCDKREZLF-MRXNPFEDSA-N 0 0 340.427 2.222 40 0 EEABRN CCc1cc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n(C)n1 ZINC000096436596 463264577 /nfs/dbraw/zinc/26/45/77/463264577.db2.gz QDBJBUYLMOIWFH-KRWDZBQOSA-N 0 0 342.443 2.212 40 0 EEABRN C[C@H](CNC(=O)N[C@@H](C)Cn1cncn1)Oc1ccccc1Cl ZINC000096439827 463265576 /nfs/dbraw/zinc/26/55/76/463265576.db2.gz RRUUXKOFPJBHCX-NWDGAFQWSA-N 0 0 337.811 2.087 40 0 EEABRN C[C@@](O)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccco1 ZINC000096439541 463265676 /nfs/dbraw/zinc/26/56/76/463265676.db2.gz LLCXMMGZVNTEOJ-GOSISDBHSA-N 0 0 340.383 2.172 40 0 EEABRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccon2)CC1 ZINC000096440105 463267402 /nfs/dbraw/zinc/26/74/02/463267402.db2.gz SGGRCACXWWPWHJ-WMZOPIPTSA-N 0 0 340.427 2.306 40 0 EEABRN CCOc1ncccc1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000096445894 463270734 /nfs/dbraw/zinc/27/07/34/463270734.db2.gz BFVIWROTFKGKBS-ZDUSSCGKSA-N 0 0 329.404 2.310 40 0 EEABRN C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000096448260 463270938 /nfs/dbraw/zinc/27/09/38/463270938.db2.gz SMNIBXHTYWCKLF-VIFPVBQESA-N 0 0 332.372 2.394 40 0 EEABRN CCCCc1nnc(NC(=O)CN(C)Cc2nccs2)s1 ZINC000096479958 463281236 /nfs/dbraw/zinc/28/12/36/463281236.db2.gz JUVKWLQKFIFQNS-UHFFFAOYSA-N 0 0 325.463 2.408 40 0 EEABRN CCc1nnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C ZINC000096491258 463287282 /nfs/dbraw/zinc/28/72/82/463287282.db2.gz SPZIVDCORHUPDB-LBPRGKRZSA-N 0 0 329.404 2.185 40 0 EEABRN COCc1noc(CN2CCC[C@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495617 463288633 /nfs/dbraw/zinc/28/86/33/463288633.db2.gz RGPDHXRGDNIYMG-LBPRGKRZSA-N 0 0 338.795 2.308 40 0 EEABRN OC[C@H](O)CSCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096500992 463291327 /nfs/dbraw/zinc/29/13/27/463291327.db2.gz DJVMPDDNPMOONZ-JTQLQIEISA-N 0 0 334.228 2.161 40 0 EEABRN CS(=O)(=O)N[C@@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 ZINC000097103105 463325333 /nfs/dbraw/zinc/32/53/33/463325333.db2.gz GUFNXMDYYMSSLL-CYBMUJFWSA-N 0 0 337.470 2.328 40 0 EEABRN CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC000097227761 463349539 /nfs/dbraw/zinc/34/95/39/463349539.db2.gz BCZNXPAIQJRLPJ-UHFFFAOYSA-N 0 0 332.853 2.050 40 0 EEABRN Cc1cc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)ccc1F ZINC000143675586 463370675 /nfs/dbraw/zinc/37/06/75/463370675.db2.gz OXGBGPJXKSODHK-LBPRGKRZSA-N 0 0 337.372 2.252 40 0 EEABRN O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2ccccc2)cc1 ZINC000040166948 463454948 /nfs/dbraw/zinc/45/49/48/463454948.db2.gz LZQPYRUEAPSCKI-HZPDHXFCSA-N 0 0 328.393 2.049 40 0 EEABRN O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000071905122 463465994 /nfs/dbraw/zinc/46/59/94/463465994.db2.gz TUOIHQGASZVWDB-CYBMUJFWSA-N 0 0 338.429 2.317 40 0 EEABRN Cc1cc(CCC(=O)N2CCC[C@H]2C(N)=O)ccc1Br ZINC000081733792 463485360 /nfs/dbraw/zinc/48/53/60/463485360.db2.gz WQQBSZKZKCFJCK-ZDUSSCGKSA-N 0 0 339.233 2.166 40 0 EEABRN CN(Cc1cccs1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237889 463485762 /nfs/dbraw/zinc/48/57/62/463485762.db2.gz XLIXCEKFXAHPQD-SJORKVTESA-N 0 0 344.436 2.305 40 0 EEABRN Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C(F)F)cc1)NC2=O ZINC000072341160 463509885 /nfs/dbraw/zinc/50/98/85/463509885.db2.gz QEAJKLMTHJTXFZ-AWEZNQCLSA-N 0 0 346.337 2.472 40 0 EEABRN Cc1cc(C)c2c(OCC(=O)Nc3ccccc3O)nn(C)c2n1 ZINC000057911388 463528530 /nfs/dbraw/zinc/52/85/30/463528530.db2.gz GBRHLGVSONTXCZ-UHFFFAOYSA-N 0 0 326.356 2.308 40 0 EEABRN CCc1cnc(N2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 ZINC000107228187 463562610 /nfs/dbraw/zinc/56/26/10/463562610.db2.gz BMMYUXKKKARFMJ-CRAIPNDOSA-N 0 0 341.415 2.036 40 0 EEABRN O=S(=O)(c1ccc(NC[C@H](O)C(F)(F)F)cc1)C(F)(F)F ZINC000073771759 463654770 /nfs/dbraw/zinc/65/47/70/463654770.db2.gz HSFYAHGUQOVSOZ-QMMMGPOBSA-N 0 0 337.241 2.315 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000044892987 463699062 /nfs/dbraw/zinc/69/90/62/463699062.db2.gz NUYHIUXIJRDOMW-SFHVURJKSA-N 0 0 337.427 2.219 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000044894980 463699761 /nfs/dbraw/zinc/69/97/61/463699761.db2.gz BUEAMKFCFIXJRC-AWEZNQCLSA-N 0 0 327.384 2.324 40 0 EEABRN CC(C)(C)OC(=O)NCCN1CCn2c(nnc2-c2ccccc2)C1 ZINC000177513260 463724862 /nfs/dbraw/zinc/72/48/62/463724862.db2.gz YKHMZBPBFOMGOG-UHFFFAOYSA-N 0 0 343.431 2.285 40 0 EEABRN CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@H+](CC(=O)[O-])[C@@H]3C[C@@H]21 ZINC000257208870 463756083 /nfs/dbraw/zinc/75/60/83/463756083.db2.gz BNWIGLBHNGNQRR-CQJJVWNLSA-N 0 0 333.384 2.168 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000257280429 463759649 /nfs/dbraw/zinc/75/96/49/463759649.db2.gz OKUZEEKKBQNJBP-CYBMUJFWSA-N 0 0 344.419 2.321 40 0 EEABRN CN(C)Cc1ccnc([C@@H]2CN(Cc3cccc(F)c3)CCO2)n1 ZINC000257291524 463765044 /nfs/dbraw/zinc/76/50/44/463765044.db2.gz QHJFYWGCHMULSA-KRWDZBQOSA-N 0 0 330.407 2.251 40 0 EEABRN Cc1ccsc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 ZINC000257295435 463767111 /nfs/dbraw/zinc/76/71/11/463767111.db2.gz QYGQGAMIWWJKGN-KRWDZBQOSA-N 0 0 331.441 2.213 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cncc(N(C)C)n2)cs1 ZINC000257310239 463771477 /nfs/dbraw/zinc/77/14/77/463771477.db2.gz UEIKVZJEAKTRRM-CQSZACIVSA-N 0 0 331.445 2.214 40 0 EEABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)[nH]n1 ZINC000257309130 463771807 /nfs/dbraw/zinc/77/18/07/463771807.db2.gz TZRLECOYWYQZAF-LLVKDONJSA-N 0 0 329.404 2.223 40 0 EEABRN Nc1nccnc1[C@@H]1CN(C(=O)c2cc3ccccc3s2)CCO1 ZINC000257319053 463776625 /nfs/dbraw/zinc/77/66/25/463776625.db2.gz VQLTZGXBSCGTJT-LBPRGKRZSA-N 0 0 340.408 2.487 40 0 EEABRN CN1C(=O)CO[C@@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)C[C@@H]21 ZINC000257319463 463776906 /nfs/dbraw/zinc/77/69/06/463776906.db2.gz VSRCTIVVXFDBLC-GXTWGEPZSA-N 0 0 348.786 2.158 40 0 EEABRN CCc1nccn1CCC(=O)N1CCO[C@H](c2ccnc(C)c2)C1 ZINC000257323320 463777745 /nfs/dbraw/zinc/77/77/45/463777745.db2.gz WJRHYZQGOKVRIZ-INIZCTEOSA-N 0 0 328.416 2.139 40 0 EEABRN CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257325518 463778265 /nfs/dbraw/zinc/77/82/65/463778265.db2.gz WTHQKKPERQYFSM-MGPQQGTHSA-N 0 0 327.375 2.231 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257326480 463780146 /nfs/dbraw/zinc/78/01/46/463780146.db2.gz WXJFAKILKWCYAX-HNNXBMFYSA-N 0 0 343.412 2.040 40 0 EEABRN Cn1c(C(=O)N2CCOC[C@@H]2c2cc[nH]n2)cc2cc(F)ccc21 ZINC000257341698 463785675 /nfs/dbraw/zinc/78/56/75/463785675.db2.gz ZLLQYUQVVGNYJW-MRXNPFEDSA-N 0 0 328.347 2.254 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)n1 ZINC000194076800 463786458 /nfs/dbraw/zinc/78/64/58/463786458.db2.gz NVQXDTJOTITVOM-OCCSQVGLSA-N 0 0 349.460 2.067 40 0 EEABRN Cc1c(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cnn1C ZINC000257342895 463787631 /nfs/dbraw/zinc/78/76/31/463787631.db2.gz ZQNFYVCAGMQONC-GOSISDBHSA-N 0 0 326.444 2.176 40 0 EEABRN CN(C)c1cccc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257342433 463788130 /nfs/dbraw/zinc/78/81/30/463788130.db2.gz ZOPBUZFYFAKANP-HNNXBMFYSA-N 0 0 331.441 2.352 40 0 EEABRN CN([C@H](C(=O)Nc1ccccc1F)c1ccccc1)S(C)(=O)=O ZINC000260769623 463791433 /nfs/dbraw/zinc/79/14/33/463791433.db2.gz PUNVFBOHWLWBTC-HNNXBMFYSA-N 0 0 336.388 2.397 40 0 EEABRN CNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@H](C)C2)n1 ZINC000260739961 463792014 /nfs/dbraw/zinc/79/20/14/463792014.db2.gz QZAUMXOAKOUOHX-LBPRGKRZSA-N 0 0 334.493 2.229 40 0 EEABRN CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000260810808 463792336 /nfs/dbraw/zinc/79/23/36/463792336.db2.gz KKFLZXRRKNPXAU-HNNXBMFYSA-N 0 0 336.388 2.397 40 0 EEABRN C[C@H](NC(=O)N1CCC[C@H](OCCO)C1)c1cccc(F)c1F ZINC000186501610 464012363 /nfs/dbraw/zinc/01/23/63/464012363.db2.gz AXSSGWYRBGJDLG-RYUDHWBXSA-N 0 0 328.359 2.209 40 0 EEABRN O=C(CNC(=O)c1ccc(F)cc1)NCCc1cc(F)cc(F)c1 ZINC000195455563 464056377 /nfs/dbraw/zinc/05/63/77/464056377.db2.gz IZQNNDFMBMBPBE-UHFFFAOYSA-N 0 0 336.313 2.193 40 0 EEABRN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1COCCN1 ZINC000195543067 464073308 /nfs/dbraw/zinc/07/33/08/464073308.db2.gz OJFXAZMHSOKNRW-FEZODGRUSA-N 0 0 348.446 2.388 40 0 EEABRN CCOc1ccc(CN2CCN(C)[C@H](c3nccn3C)C2)cc1F ZINC000279754005 464141615 /nfs/dbraw/zinc/14/16/15/464141615.db2.gz YZKTYUHZMRLAKL-INIZCTEOSA-N 0 0 332.423 2.447 40 0 EEABRN CN(C)c1ccnc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000224195294 464150011 /nfs/dbraw/zinc/15/00/11/464150011.db2.gz BAWFXFZILHPEQC-UHFFFAOYSA-N 0 0 342.424 2.174 40 0 EEABRN Cc1ccccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC000224267228 464150248 /nfs/dbraw/zinc/15/02/48/464150248.db2.gz UEIJBIWJKGKOFV-UHFFFAOYSA-N 0 0 326.404 2.181 40 0 EEABRN C[C@H](Oc1cccc(F)c1F)C(=O)N1CCN(Cc2ccc[nH]2)CC1 ZINC000225413424 464158689 /nfs/dbraw/zinc/15/86/89/464158689.db2.gz BJOHSOQGRWEBNB-ZDUSSCGKSA-N 0 0 349.381 2.405 40 0 EEABRN CN(C(=O)c1cnc(OCC2CC2)cn1)[C@H]1CCCc2c1cnn2C ZINC000225462009 464162589 /nfs/dbraw/zinc/16/25/89/464162589.db2.gz LMWYBUMUTBTMND-HNNXBMFYSA-N 0 0 341.415 2.149 40 0 EEABRN C[C@H](Nc1cc(N2CCOCC2)ncn1)[C@@H]1COc2ccccc21 ZINC000225482857 464165561 /nfs/dbraw/zinc/16/55/61/464165561.db2.gz QTTYDJMOJCYHCF-ZFWWWQNUSA-N 0 0 326.400 2.290 40 0 EEABRN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1ccnc(N3CCCC3)c1)CC2 ZINC000225520112 464168056 /nfs/dbraw/zinc/16/80/56/464168056.db2.gz DPAUNUCMKFDNEC-HNNXBMFYSA-N 0 0 339.443 2.135 40 0 EEABRN CNc1nc(C)cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)n1 ZINC000225555248 464170818 /nfs/dbraw/zinc/17/08/18/464170818.db2.gz NGLGMKPRRVNAGT-UHFFFAOYSA-N 0 0 339.399 2.315 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000225662760 464177646 /nfs/dbraw/zinc/17/76/46/464177646.db2.gz ZDIHGZIYPRYXIH-UHFFFAOYSA-N 0 0 337.383 2.176 40 0 EEABRN Cn1cc(N2CCC[C@@H](SCCC(=O)OC(C)(C)C)C2=O)cn1 ZINC000225642057 464178172 /nfs/dbraw/zinc/17/81/72/464178172.db2.gz BFGPZMQNPGRZOH-CYBMUJFWSA-N 0 0 339.461 2.381 40 0 EEABRN CC(C)[C@@H](Cn1nccn1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000238861826 464439423 /nfs/dbraw/zinc/43/94/23/464439423.db2.gz KVNWFTBATLZCBR-QGZVFWFLSA-N 0 0 342.443 2.167 40 0 EEABRN CCC[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3ccccn3)C1)C2=O ZINC000241161343 464450180 /nfs/dbraw/zinc/45/01/80/464450180.db2.gz JZYLHQAEOGEZIQ-KDOFPFPSSA-N 0 0 328.416 2.257 40 0 EEABRN CCOc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 ZINC000245026662 464466996 /nfs/dbraw/zinc/46/69/96/464466996.db2.gz NFIRKGLWFHNIEL-HDJSIYSDSA-N 0 0 342.399 2.390 40 0 EEABRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cn1ccnn1 ZINC000189602930 464532427 /nfs/dbraw/zinc/53/24/27/464532427.db2.gz KTYRMIIUZVCXLX-UHFFFAOYSA-N 0 0 326.322 2.434 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000247505889 464688268 /nfs/dbraw/zinc/68/82/68/464688268.db2.gz RMLPWMWQZWPASU-INIZCTEOSA-N 0 0 342.424 2.411 40 0 EEABRN O=C([C@@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1)N1CCC[C@@H](O)C1 ZINC000247846463 464709673 /nfs/dbraw/zinc/70/96/73/464709673.db2.gz DSNPBMKSPWLAQN-KBSWLIGVSA-N 0 0 341.407 2.030 40 0 EEABRN Cc1cncc(C(=O)N2CCc3cnn(C)c3[C@H]2COCC2CC2)c1 ZINC000248007207 464722290 /nfs/dbraw/zinc/72/22/90/464722290.db2.gz CMNQFJQMTNXLLW-QGZVFWFLSA-N 0 0 340.427 2.290 40 0 EEABRN CCn1cc([C@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)cn1 ZINC000190809152 464724264 /nfs/dbraw/zinc/72/42/64/464724264.db2.gz ORNXKSXQUFMNCC-CQSZACIVSA-N 0 0 329.360 2.120 40 0 EEABRN CCO[C@@H]1Cn2cccc2CN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000248056923 464727437 /nfs/dbraw/zinc/72/74/37/464727437.db2.gz OTFIROCQPQOKSE-OAHLLOKOSA-N 0 0 338.411 2.436 40 0 EEABRN O=C1C[C@@H](NCc2ccc(Br)o2)CN1CC(F)(F)F ZINC000191150514 464786227 /nfs/dbraw/zinc/78/62/27/464786227.db2.gz BAIXRWANMMOHOV-SSDOTTSWSA-N 0 0 341.127 2.295 40 0 EEABRN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000249615168 464900151 /nfs/dbraw/zinc/90/01/51/464900151.db2.gz OWGLQNWQPVTENA-OIISXLGYSA-N 0 0 339.399 2.071 40 0 EEABRN CCNC(=O)C1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000184133979 464951358 /nfs/dbraw/zinc/95/13/58/464951358.db2.gz NGJGRGCJOWRHJQ-UHFFFAOYSA-N 0 0 347.415 2.081 40 0 EEABRN CCCOc1cccc2c(N3CC[C@H]4OCC(=O)N[C@@H]4C3)ccnc12 ZINC000252479164 464961176 /nfs/dbraw/zinc/96/11/76/464961176.db2.gz BALGAMXFGUCPAB-GDBMZVCRSA-N 0 0 341.411 2.117 40 0 EEABRN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCc4c[nH]nc43)CCO2)n1 ZINC000252497250 464969890 /nfs/dbraw/zinc/96/98/90/464969890.db2.gz QCGCLAURWXSBRP-STQMWFEESA-N 0 0 347.444 2.335 40 0 EEABRN CC(=O)c1ccc(N2CCC[C@@H]2c2ccco2)c(S(N)(=O)=O)c1 ZINC000252506950 464973867 /nfs/dbraw/zinc/97/38/67/464973867.db2.gz WDOCVGAFVMGMIT-CYBMUJFWSA-N 0 0 334.397 2.471 40 0 EEABRN C[C@H]1CN(C[C@@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533208 464981535 /nfs/dbraw/zinc/98/15/35/464981535.db2.gz GFZVOUANMSPHAY-QWRGUYRKSA-N 0 0 326.359 2.241 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@](C)(O)CCc1ccccc1)CC2 ZINC000253392297 464997678 /nfs/dbraw/zinc/99/76/78/464997678.db2.gz QVMDITCOHVZZLC-LPHOPBHVSA-N 0 0 345.439 2.172 40 0 EEABRN Cc1cccc([C@@H](C)NC(=O)[C@@H](CO)NC(=O)c2ccccc2)c1C ZINC000253417696 465005898 /nfs/dbraw/zinc/00/58/98/465005898.db2.gz DUHGAIZDUZFNJZ-CRAIPNDOSA-N 0 0 340.423 2.272 40 0 EEABRN O=C(NCc1ccc2ncccc2c1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000253421377 465009273 /nfs/dbraw/zinc/00/92/73/465009273.db2.gz VGXJQFVDZWUPES-QFBILLFUSA-N 0 0 341.411 2.372 40 0 EEABRN COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000253433448 465015230 /nfs/dbraw/zinc/01/52/30/465015230.db2.gz XAKCTFSWKCSZIK-KKUMJFAQSA-N 0 0 333.432 2.165 40 0 EEABRN CCS(=O)(=O)c1ccc(CNC(=O)Cc2ccncc2C)cc1 ZINC000192941062 465017635 /nfs/dbraw/zinc/01/76/35/465017635.db2.gz FSOAVIUTLNLHEH-UHFFFAOYSA-N 0 0 332.425 2.043 40 0 EEABRN O=C(Nc1cn[nH]c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000299153440 465626531 /nfs/dbraw/zinc/62/65/31/465626531.db2.gz VJHHQEVTNDXTBX-UHFFFAOYSA-N 0 0 349.416 2.228 40 0 EEABRN COCC[C@H](C)S(=O)(=O)N1CCC(Cc2cccnc2)CC1 ZINC000330917450 465861041 /nfs/dbraw/zinc/86/10/41/465861041.db2.gz LWCVLOYWBSVRPO-AWEZNQCLSA-N 0 0 326.462 2.091 40 0 EEABRN COc1cc(F)ccc1N1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302919258 466213811 /nfs/dbraw/zinc/21/38/11/466213811.db2.gz YHZJKTWOFYJNLF-UHFFFAOYSA-N 0 0 337.786 2.187 40 0 EEABRN Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000408555280 466680811 /nfs/dbraw/zinc/68/08/11/466680811.db2.gz WIUMVSCPZNJZFE-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408552724 466681008 /nfs/dbraw/zinc/68/10/08/466681008.db2.gz NGJGPWXQVSBZOW-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554899 466681522 /nfs/dbraw/zinc/68/15/22/466681522.db2.gz VJRINTRCWZKQRJ-STQMWFEESA-N 0 0 334.441 2.421 40 0 EEABRN CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC1CCCCCCC1 ZINC000408999682 466684248 /nfs/dbraw/zinc/68/42/48/466684248.db2.gz RJKQRAGDOPNJLV-HOTGVXAUSA-N 0 0 340.464 2.443 40 0 EEABRN CCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409410975 466687887 /nfs/dbraw/zinc/68/78/87/466687887.db2.gz BPRFRPAQCNCOJZ-LLVKDONJSA-N 0 0 332.853 2.411 40 0 EEABRN COc1ccc(C(=O)Nc2ccc([S@](C)=O)cc2)cc1OCCO ZINC000390833020 467414308 /nfs/dbraw/zinc/41/43/08/467414308.db2.gz ATHVMIFAXCEHFQ-DEOSSOPVSA-N 0 0 349.408 2.056 40 0 EEABRN CN(C)S(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000390835262 467415108 /nfs/dbraw/zinc/41/51/08/467415108.db2.gz IDSMOKXCSQJWBH-INIZCTEOSA-N 0 0 344.436 2.057 40 0 EEABRN Cc1cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)no1 ZINC000408116504 467512062 /nfs/dbraw/zinc/51/20/62/467512062.db2.gz XIOVQSGTWRHASU-UHFFFAOYSA-N 0 0 339.193 2.419 40 0 EEABRN Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)CCC(C)C)C3)C2)n1 ZINC000575405036 468141619 /nfs/dbraw/zinc/14/16/19/468141619.db2.gz QOTHPSRCFPJZMW-OAHLLOKOSA-N 0 0 333.432 2.360 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@@H]4C)C3)C2)c1 ZINC000575406416 468142878 /nfs/dbraw/zinc/14/28/78/468142878.db2.gz OUNLWTVBHCURHL-UAGQMJEPSA-N 0 0 330.428 2.323 40 0 EEABRN O=S(=O)(C1CCCCC1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605001 468145611 /nfs/dbraw/zinc/14/56/11/468145611.db2.gz FGTUPTXPLICVKX-LBPRGKRZSA-N 0 0 345.852 2.246 40 0 EEABRN O=C(c1cccs1)N1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000585103441 468970906 /nfs/dbraw/zinc/97/09/06/468970906.db2.gz WGCNCPPYNUDZCB-RDTXWAMCSA-N 0 0 348.468 2.239 40 0 EEABRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC000585140551 468989176 /nfs/dbraw/zinc/98/91/76/468989176.db2.gz HCBSGLWACZXEMP-MEDUHNTESA-N 0 0 348.424 2.273 40 0 EEABRN CC(=O)Nc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)cs1 ZINC000585268748 468996027 /nfs/dbraw/zinc/99/60/27/468996027.db2.gz CCTPAVQEZUGBFF-AWEZNQCLSA-N 0 0 336.461 2.251 40 0 EEABRN Cc1cccnc1CN1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585269218 468997499 /nfs/dbraw/zinc/99/74/99/468997499.db2.gz LYTVEGOIBQVZSD-IBGZPJMESA-N 0 0 328.412 2.032 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cc3ccccc3)n2)[C@H]1O ZINC000585269182 468998031 /nfs/dbraw/zinc/99/80/31/468998031.db2.gz WORGLYMCGFHTEX-BHIYHBOVSA-N 0 0 340.423 2.331 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cncnc2)C1 ZINC000585275334 468999035 /nfs/dbraw/zinc/99/90/35/468999035.db2.gz APWLSDPOYKMGTE-GOSISDBHSA-N 0 0 345.374 2.316 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272777 468999698 /nfs/dbraw/zinc/99/96/98/468999698.db2.gz QTHGJKZEGLBADB-HXUWFJFHSA-N 0 0 341.407 2.280 40 0 EEABRN Cc1cnn(CCC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)c1 ZINC000585276599 469000334 /nfs/dbraw/zinc/00/03/34/469000334.db2.gz NVBFZQFFJDLDOX-ROUUACIJSA-N 0 0 327.428 2.176 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cncnc3)[C@H]2O)c1 ZINC000585286127 469010316 /nfs/dbraw/zinc/01/03/16/469010316.db2.gz JJZVXVZXODVSFN-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2c[nH]cn2)C[C@H]3OC)c1 ZINC000585290960 469010878 /nfs/dbraw/zinc/01/08/78/469010878.db2.gz JKINBRTYJFWUBR-KFKAGJAMSA-N 0 0 343.427 2.192 40 0 EEABRN Cc1nnsc1CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000644731541 471023671 /nfs/dbraw/zinc/02/36/71/471023671.db2.gz KPJMKARTLZJYDN-AWEZNQCLSA-N 0 0 344.440 2.015 40 0 EEABRN CCC(CC)(C(=O)[O-])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000656853669 471864671 /nfs/dbraw/zinc/86/46/71/471864671.db2.gz DOBQYVFRDJHXHB-CABCVRRESA-N 0 0 336.407 2.360 40 0 EEABRN COc1ccccc1OCC(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390825781 485668298 /nfs/dbraw/zinc/66/82/98/485668298.db2.gz BHCMYCBTRLBSSS-HNNXBMFYSA-N 0 0 345.399 2.478 40 0 EEABRN Cc1ccn2c(c1)ncc(C(=O)OCCN(C)c1ccccc1)c2=O ZINC000096446449 534352651 /nfs/dbraw/zinc/35/26/51/534352651.db2.gz ACPIPEBYMAODRR-UHFFFAOYSA-N 0 0 337.379 2.296 40 0 EEABRN CCCCn1nc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1=O ZINC000044869223 521395140 /nfs/dbraw/zinc/39/51/40/521395140.db2.gz HQRQTBTYGXLCDB-LBPRGKRZSA-N 0 0 339.399 2.411 40 0 EEABRN CC(C)(O)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000191779926 527303453 /nfs/dbraw/zinc/30/34/53/527303453.db2.gz ZQKQMSSJUGASKD-UHFFFAOYSA-N 0 0 330.359 2.465 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941214 529163829 /nfs/dbraw/zinc/16/38/29/529163829.db2.gz QOWSKHBOJBRDGK-WDEREUQCSA-N 0 0 332.853 2.409 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@@]2(CCCO2)[C@H](OC)C1 ZINC000257236473 535950890 /nfs/dbraw/zinc/95/08/90/535950890.db2.gz HCJCUZUPFRCYAF-MJGOQNOKSA-N 0 0 332.444 2.457 40 0 EEABRN CCn1cc(C(=O)N2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3CC)cn1 ZINC000257248961 536025072 /nfs/dbraw/zinc/02/50/72/536025072.db2.gz JFZPFARVARTWSI-YJBOKZPZSA-N 0 0 332.448 2.299 40 0 EEABRN COc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224543082 537086140 /nfs/dbraw/zinc/08/61/40/537086140.db2.gz KXZCZRUZGGAOKL-MRXNPFEDSA-N 0 0 348.424 2.266 40 0 EEABRN CCn1c(C)cc2n[nH]c(NC(=O)c3cnn(C4CCC4)c3)c2c1=O ZINC000899174850 693646458 /nfs/dbraw/zinc/64/64/58/693646458.db2.gz MUGNIGSPQWWWGY-UHFFFAOYSA-N 0 0 340.387 2.227 40 0 EEABRN Cc1nn(CC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c2ncccc12 ZINC000934127104 1207908462 /nfs/dbraw/zinc/90/84/62/1207908462.db2.gz WSMWWOYCPPSJFY-INIZCTEOSA-N 0 0 340.431 2.377 40 0 EEABRN O=C(OCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)c1ccccc1 ZINC000096474897 1357958496 /nfs/dbraw/zinc/95/84/96/1357958496.db2.gz UPXVKWYASZHNSR-KBPBESRZSA-N 0 0 333.771 2.361 40 0 EEABRN O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 ZINC000054192443 214223269 /nfs/dbraw/zinc/22/32/69/214223269.db2.gz DZQNWJOODMCXOV-HNNXBMFYSA-N 0 0 346.770 2.235 40 0 EEABRN C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCC(F)(F)F ZINC000061984111 214690891 /nfs/dbraw/zinc/69/08/91/214690891.db2.gz FXVSSGWSUBFCEO-SECBINFHSA-N 0 0 345.346 2.286 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)CSc1ccncc1 ZINC000012117665 201825439 /nfs/dbraw/zinc/82/54/39/201825439.db2.gz SMESOIBCMQTMED-LBPRGKRZSA-N 0 0 327.413 2.123 40 0 EEABRN CCOC(=O)CC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 ZINC000012120316 201827438 /nfs/dbraw/zinc/82/74/38/201827438.db2.gz IHVFWWLQQVXHEU-LBPRGKRZSA-N 0 0 334.416 2.459 40 0 EEABRN O=C(Cc1ccccc1)NN1C(=S)SC[C@@]1(O)c1ccccc1 ZINC000016739976 201979864 /nfs/dbraw/zinc/97/98/64/201979864.db2.gz WBFKBHNPMURCCR-QGZVFWFLSA-N 0 0 344.461 2.439 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000019496225 202009356 /nfs/dbraw/zinc/00/93/56/202009356.db2.gz SZEMGIWSOSRGQL-YPMHNXCESA-N 0 0 346.456 2.249 40 0 EEABRN CCCn1cc(S(=O)(=O)NCc2cc(CC(C)C)no2)c(C)n1 ZINC000019526064 202010078 /nfs/dbraw/zinc/01/00/78/202010078.db2.gz LOOTYGBEGQJRPD-UHFFFAOYSA-N 0 0 340.449 2.267 40 0 EEABRN CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019522486 202010309 /nfs/dbraw/zinc/01/03/09/202010309.db2.gz YFEUAOXKKIXKPF-GFCCVEGCSA-N 0 0 329.375 2.491 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000020484237 202044914 /nfs/dbraw/zinc/04/49/14/202044914.db2.gz PWPJSWDYSUUPHJ-UHFFFAOYSA-N 0 0 337.372 2.232 40 0 EEABRN Cc1ccc(C(=O)COC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023232632 202100545 /nfs/dbraw/zinc/10/05/45/202100545.db2.gz USDKPIZNSVBOIS-UHFFFAOYSA-N 0 0 347.392 2.406 40 0 EEABRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000071195911 202343107 /nfs/dbraw/zinc/34/31/07/202343107.db2.gz WCJKVLSFMGEHDA-BMIGLBTASA-N 0 0 333.823 2.465 40 0 EEABRN Cc1nc(CN(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cs1 ZINC000072552243 202365365 /nfs/dbraw/zinc/36/53/65/202365365.db2.gz OASYHGWTEQIILK-CQSZACIVSA-N 0 0 335.433 2.491 40 0 EEABRN COC(=O)[C@@H](c1ccccc1F)N1CCN(Cc2cc(C)no2)CC1 ZINC000072558433 202365593 /nfs/dbraw/zinc/36/55/93/202365593.db2.gz OXCWNPYPMUXKSO-QGZVFWFLSA-N 0 0 347.390 2.154 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1C ZINC000073204103 202368711 /nfs/dbraw/zinc/36/87/11/202368711.db2.gz DYKQSKQVZXDYFB-CYBMUJFWSA-N 0 0 337.383 2.476 40 0 EEABRN Cc1cc(C(=O)NCc2ccncc2)nc(N2CCCCCC2)n1 ZINC000072241496 202357967 /nfs/dbraw/zinc/35/79/67/202357967.db2.gz GZYFYTQRYSPZHL-UHFFFAOYSA-N 0 0 325.416 2.490 40 0 EEABRN Cc1ccc2cnn(CCC(=O)N[C@@H](C)C(=O)N3CCCCC3)c2c1 ZINC000072250163 202358055 /nfs/dbraw/zinc/35/80/55/202358055.db2.gz IWFJKHFGQNCYQI-HNNXBMFYSA-N 0 0 342.443 2.252 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@H]1c1cccc(F)c1 ZINC000072241907 202358185 /nfs/dbraw/zinc/35/81/85/202358185.db2.gz KXTKTFULJNRYOW-SJLPKXTDSA-N 0 0 341.386 2.447 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(F)c1 ZINC000072241899 202358352 /nfs/dbraw/zinc/35/83/52/202358352.db2.gz QGILMILHDIAOQK-WMZOPIPTSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000072397135 202363629 /nfs/dbraw/zinc/36/36/29/202363629.db2.gz HBXREWQUYZYVGP-SNPRPXQTSA-N 0 0 338.411 2.194 40 0 EEABRN CN(Cc1ncnn1C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000072544416 202363705 /nfs/dbraw/zinc/36/37/05/202363705.db2.gz SCCWJVVAAVIDDR-UHFFFAOYSA-N 0 0 345.794 2.318 40 0 EEABRN Cn1c(CCNC(=O)c2ccc3c(c2)COCO3)nc2ccccc21 ZINC000074367765 202372783 /nfs/dbraw/zinc/37/27/83/202372783.db2.gz VHWZMMBBMFILQV-UHFFFAOYSA-N 0 0 337.379 2.412 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@](C)(O)c1ccco1 ZINC000075156329 202376137 /nfs/dbraw/zinc/37/61/37/202376137.db2.gz OQAXIYIFGUIKDV-INIZCTEOSA-N 0 0 339.413 2.091 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NC[C@@](C)(O)c1cccs1 ZINC000075156054 202376706 /nfs/dbraw/zinc/37/67/06/202376706.db2.gz WBKFGUZCCVCUDM-OAHLLOKOSA-N 0 0 341.454 2.251 40 0 EEABRN CN1CCN(c2cc(NC(=O)CCCc3ccccc3)ncn2)CC1 ZINC000077196432 202385265 /nfs/dbraw/zinc/38/52/65/202385265.db2.gz IPUMOPIUUQJASM-UHFFFAOYSA-N 0 0 339.443 2.190 40 0 EEABRN COc1cccc(-c2cnc(CN3CCCC[C@H]3CNC(N)=O)o2)c1 ZINC000075683050 202382224 /nfs/dbraw/zinc/38/22/24/202382224.db2.gz XBYLUBFRCPKFKH-AWEZNQCLSA-N 0 0 344.415 2.373 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(I)cn1 ZINC000077962528 202394042 /nfs/dbraw/zinc/39/40/42/202394042.db2.gz YVKRVJNHNAMTPB-UWVGGRQHSA-N 0 0 347.200 2.277 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000077929940 202394762 /nfs/dbraw/zinc/39/47/62/202394762.db2.gz QGSWAKPEPLGGMM-INIZCTEOSA-N 0 0 346.349 2.346 40 0 EEABRN C[C@H](CNc1nc2c(cnn2C)c(=O)[nH]1)Oc1ccccc1Cl ZINC000078467991 202396210 /nfs/dbraw/zinc/39/62/10/202396210.db2.gz ANYGZOCWIYQXFM-SECBINFHSA-N 0 0 333.779 2.189 40 0 EEABRN CNC(=O)c1cccc(CCNS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000077397945 202392984 /nfs/dbraw/zinc/39/29/84/202392984.db2.gz YIJADGSPJFMJSY-ACCUITESSA-N 0 0 344.436 2.179 40 0 EEABRN Cc1ncc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000077820679 202393062 /nfs/dbraw/zinc/39/30/62/202393062.db2.gz BOUSMDKHCSHOOA-UHFFFAOYSA-N 0 0 329.303 2.124 40 0 EEABRN O=C1[C@H](Sc2nc3ncccn3n2)CCN1c1ccccc1F ZINC000078995256 202415381 /nfs/dbraw/zinc/41/53/81/202415381.db2.gz URJZVLGSWYLWNZ-GFCCVEGCSA-N 0 0 329.360 2.161 40 0 EEABRN Cc1nsc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)n1 ZINC000081457018 202478008 /nfs/dbraw/zinc/47/80/08/202478008.db2.gz KJVMNFBPSDWBNK-UHFFFAOYSA-N 0 0 341.440 2.150 40 0 EEABRN COC(=O)[C@@H](C)NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000011617165 291235949 /nfs/dbraw/zinc/23/59/49/291235949.db2.gz VHCRYZQQANTBNB-NCPXAXJUSA-N 0 0 344.249 2.398 40 0 EEABRN CCOC(=O)[C@H](NC(=O)c1cc[nH]c(=O)c1)c1cccc(C)c1C ZINC000184082072 201037197 /nfs/dbraw/zinc/03/71/97/201037197.db2.gz DFHBQKCHCFVLFB-MRXNPFEDSA-N 0 0 328.368 2.026 40 0 EEABRN NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000057327160 201139438 /nfs/dbraw/zinc/13/94/38/201139438.db2.gz NFYCNXSBSHQRBZ-SNVBAGLBSA-N 0 0 339.326 2.472 40 0 EEABRN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000275554143 201284361 /nfs/dbraw/zinc/28/43/61/201284361.db2.gz UCQFJEPRQSQJCH-IAGOWNOFSA-N 0 0 330.428 2.177 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191559050 239185043 /nfs/dbraw/zinc/18/50/43/239185043.db2.gz ARKZRHJQXBLOEQ-UKRRQHHQSA-N 0 0 345.443 2.035 40 0 EEABRN COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000010112216 201363799 /nfs/dbraw/zinc/36/37/99/201363799.db2.gz SDWLYZWGAMGBQD-UHFFFAOYSA-N 0 0 348.380 2.097 40 0 EEABRN Cc1cc(Br)ccc1C(=O)NCc1nnc2n1CCC2 ZINC000054151407 202666062 /nfs/dbraw/zinc/66/60/62/202666062.db2.gz ZSJVKVDUWABXRP-UHFFFAOYSA-N 0 0 335.205 2.225 40 0 EEABRN O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(CO)cc1 ZINC000057647569 202723918 /nfs/dbraw/zinc/72/39/18/202723918.db2.gz BTADNZPNMPLWJE-UHFFFAOYSA-N 0 0 339.347 2.022 40 0 EEABRN Cn1ncc(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)c1C(F)(F)F ZINC000193742239 240290403 /nfs/dbraw/zinc/29/04/03/240290403.db2.gz ZPUIYQSEUKHVMS-CYBMUJFWSA-N 0 0 332.326 2.296 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000195545445 240996337 /nfs/dbraw/zinc/99/63/37/240996337.db2.gz ULAHCMOCNLTYAH-OCGLXOCMSA-N 0 0 346.537 2.409 40 0 EEABRN C[C@@H](Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnccn1 ZINC000195552537 241001675 /nfs/dbraw/zinc/00/16/75/241001675.db2.gz CVCMDWNWVJWJIC-LLVKDONJSA-N 0 0 336.392 2.329 40 0 EEABRN CC(C)(C)c1nc(N2CCN(C(=O)c3ccc(O)cc3)CC2)no1 ZINC000195576689 241022076 /nfs/dbraw/zinc/02/20/76/241022076.db2.gz DDQZKGKQOWJSGY-UHFFFAOYSA-N 0 0 330.388 2.035 40 0 EEABRN CCc1nnc(SCC(=O)Nc2ccccc2C(=O)OC)n1CC ZINC000216101786 241164842 /nfs/dbraw/zinc/16/48/42/241164842.db2.gz FGKBOZNKULBWTB-UHFFFAOYSA-N 0 0 348.428 2.378 40 0 EEABRN CCCn1nnc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000000568981 201488034 /nfs/dbraw/zinc/48/80/34/201488034.db2.gz XSKRRRVZCXZEGK-UHFFFAOYSA-N 0 0 338.824 2.172 40 0 EEABRN CC(C)(C)c1nc(CNC(=O)N[C@](C)(CO)C2CCCCC2)no1 ZINC000088604651 202789361 /nfs/dbraw/zinc/78/93/61/202789361.db2.gz LCIXBJODJIHVIV-QGZVFWFLSA-N 0 0 338.452 2.498 40 0 EEABRN Cc1csc([C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000225477681 241884936 /nfs/dbraw/zinc/88/49/36/241884936.db2.gz YSIVVSTYQDORDY-AWEZNQCLSA-N 0 0 345.472 2.462 40 0 EEABRN COC(=O)c1nn(C[C@H](O)CC(F)(F)F)c(C)c1Br ZINC000225546159 241922637 /nfs/dbraw/zinc/92/26/37/241922637.db2.gz CLNJAKYVIGQSDW-ZCFIWIBFSA-N 0 0 345.115 2.054 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC[C@](O)(c1ccco1)c1cccs1 ZINC000225588502 241939385 /nfs/dbraw/zinc/93/93/85/241939385.db2.gz CNFYHMUSNYKGCZ-KRWDZBQOSA-N 0 0 345.424 2.357 40 0 EEABRN CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cn1 ZINC000225925631 242077512 /nfs/dbraw/zinc/07/75/12/242077512.db2.gz QILYKZWTGQVSSS-UHFFFAOYSA-N 0 0 331.416 2.456 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225737364 242012820 /nfs/dbraw/zinc/01/28/20/242012820.db2.gz IACNAARFTDIMBE-UHFFFAOYSA-N 0 0 348.449 2.410 40 0 EEABRN CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)S(=O)(=O)C1CC1 ZINC000225754837 242021261 /nfs/dbraw/zinc/02/12/61/242021261.db2.gz LAQHLUQSYJKGIA-RYUDHWBXSA-N 0 0 332.466 2.085 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)CC(c2cccs2)=NO1 ZINC000226747491 242111166 /nfs/dbraw/zinc/11/11/66/242111166.db2.gz GZIJZGJBIIKXHW-INIZCTEOSA-N 0 0 332.429 2.298 40 0 EEABRN O=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1ccccn1 ZINC000227161058 242125058 /nfs/dbraw/zinc/12/50/58/242125058.db2.gz ZRHBFWPMXGXDOU-UHFFFAOYSA-N 0 0 327.319 2.030 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)s1 ZINC000247993481 243502451 /nfs/dbraw/zinc/50/24/51/243502451.db2.gz BWNOYMMKBWXIIZ-HNNXBMFYSA-N 0 0 346.456 2.444 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 ZINC000247857281 243467735 /nfs/dbraw/zinc/46/77/35/243467735.db2.gz KZBPVBJQAPWHMD-INIZCTEOSA-N 0 0 338.411 2.210 40 0 EEABRN Cc1cccc(C(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)n1 ZINC000248070541 243516667 /nfs/dbraw/zinc/51/66/67/243516667.db2.gz XMNHWPGSCJGMIV-KRWDZBQOSA-N 0 0 340.427 2.290 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)[C@H](C)c3ccccc3)c2C)no1 ZINC000252478733 243761746 /nfs/dbraw/zinc/76/17/46/243761746.db2.gz ATXOHKQPGPVJOE-SNVBAGLBSA-N 0 0 326.360 2.068 40 0 EEABRN O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCCCCC1 ZINC000252500467 243823811 /nfs/dbraw/zinc/82/38/11/243823811.db2.gz SWDUMYPGTNLGSN-UHFFFAOYSA-N 0 0 338.473 2.230 40 0 EEABRN Cc1noc(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000091171540 203074115 /nfs/dbraw/zinc/07/41/15/203074115.db2.gz DAEJGVULSHRXOR-LLVKDONJSA-N 0 0 330.171 2.425 40 0 EEABRN Cc1noc(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000091171539 203074739 /nfs/dbraw/zinc/07/47/39/203074739.db2.gz DAEJGVULSHRXOR-NSHDSACASA-N 0 0 330.171 2.425 40 0 EEABRN CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1ccnn1C(C)C ZINC000257205356 244132696 /nfs/dbraw/zinc/13/26/96/244132696.db2.gz AYQXPOUXBYNGFW-AEFFLSMTSA-N 0 0 332.448 2.470 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257205675 244132756 /nfs/dbraw/zinc/13/27/56/244132756.db2.gz BACFLWPCAYMXRZ-QLFBSQMISA-N 0 0 328.441 2.430 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)s1 ZINC000257206598 244137865 /nfs/dbraw/zinc/13/78/65/244137865.db2.gz BEDDDXBUDOJXFV-YOEHRIQHSA-N 0 0 335.473 2.352 40 0 EEABRN CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000040465602 203156929 /nfs/dbraw/zinc/15/69/29/203156929.db2.gz JRCFCEFZMSHIAY-IFXJQAMLSA-N 0 0 346.427 2.270 40 0 EEABRN COCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000257210356 244147286 /nfs/dbraw/zinc/14/72/86/244147286.db2.gz BUGWPQOHFCUNFY-GOSISDBHSA-N 0 0 348.443 2.242 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257210692 244151007 /nfs/dbraw/zinc/15/10/07/244151007.db2.gz BVSKGGWDNKGUHE-CYBMUJFWSA-N 0 0 347.382 2.020 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257214444 244162631 /nfs/dbraw/zinc/16/26/31/244162631.db2.gz CMAGRUUFJAOIPO-MRXNPFEDSA-N 0 0 349.438 2.365 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)CC)C2)nc1C ZINC000257214507 244164677 /nfs/dbraw/zinc/16/46/77/244164677.db2.gz CMFNJZOHMXXQBE-OAHLLOKOSA-N 0 0 346.475 2.278 40 0 EEABRN O=c1cc(CC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)nc[nH]1 ZINC000257214423 244164761 /nfs/dbraw/zinc/16/47/61/244164761.db2.gz CLXXUFMNANCAEY-QGZVFWFLSA-N 0 0 338.411 2.497 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257225035 244199557 /nfs/dbraw/zinc/19/95/57/244199557.db2.gz FENJIZUVQCDRRU-CYBMUJFWSA-N 0 0 325.368 2.186 40 0 EEABRN Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)s1 ZINC000257231303 244212241 /nfs/dbraw/zinc/21/22/41/244212241.db2.gz GGCPPCBKMVXRRB-KRWDZBQOSA-N 0 0 331.441 2.165 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@@H]2CCc2cnccn2)s1 ZINC000257221039 244184580 /nfs/dbraw/zinc/18/45/80/244184580.db2.gz DNGWBBWHIXFLFP-HNNXBMFYSA-N 0 0 331.441 2.249 40 0 EEABRN C[C@@]1(c2ncc(CNC(=O)Cn3cc(Cl)cn3)cn2)CCCCO1 ZINC000257242817 244248362 /nfs/dbraw/zinc/24/83/62/244248362.db2.gz IEHSBSRHIHGQOF-INIZCTEOSA-N 0 0 349.822 2.059 40 0 EEABRN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC(Cc2ccncc2)CC1 ZINC000257244255 244254007 /nfs/dbraw/zinc/25/40/07/244254007.db2.gz IKOZGCQATHYXSY-UHFFFAOYSA-N 0 0 348.406 2.413 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2nccnc2C(=O)NC2CCCCC2)C1 ZINC000072387102 203212129 /nfs/dbraw/zinc/21/21/29/203212129.db2.gz XRTLELGYHOPKQL-HNNXBMFYSA-N 0 0 344.459 2.340 40 0 EEABRN Cc1nn(CC(=O)OC2CCCCC2)c(=O)c2cc3occc3n21 ZINC000072346384 203203065 /nfs/dbraw/zinc/20/30/65/203203065.db2.gz DKUZNNPOOYWLBM-UHFFFAOYSA-N 0 0 329.356 2.427 40 0 EEABRN CCC(=O)N1CCO[C@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257240748 244242311 /nfs/dbraw/zinc/24/23/11/244242311.db2.gz HVACOUGGHNEXEK-AWEZNQCLSA-N 0 0 329.404 2.177 40 0 EEABRN Cc1cccc(Oc2nccnc2C2CCN(CC(N)=O)CC2)c1 ZINC000072361848 203206366 /nfs/dbraw/zinc/20/63/66/203206366.db2.gz HNAMYVDHIHCVSQ-UHFFFAOYSA-N 0 0 326.400 2.242 40 0 EEABRN Cn1cc(C(=O)N2CCC[C@@H](c3ccc4sc(N)nc4n3)C2)cn1 ZINC000072368549 203207242 /nfs/dbraw/zinc/20/72/42/203207242.db2.gz ALPSHHFEARNFFQ-SNVBAGLBSA-N 0 0 342.428 2.027 40 0 EEABRN Cc1cc2cc3c(nc2cc1C)OC(=O)N(CCN1CCOCC1)C3 ZINC000072396359 203213196 /nfs/dbraw/zinc/21/31/96/203213196.db2.gz ZWSMEYBQXHUKKP-UHFFFAOYSA-N 0 0 341.411 2.498 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3cc(C)c(C)[nH]c3=O)CCO2)ccn1 ZINC000257268190 244367785 /nfs/dbraw/zinc/36/77/85/244367785.db2.gz MKQCTQVCLHEGIM-MRXNPFEDSA-N 0 0 327.384 2.321 40 0 EEABRN CC(C)n1nccc1C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257271338 244377577 /nfs/dbraw/zinc/37/75/77/244377577.db2.gz MXWUTRWUCKKBRV-DJIMGWMZSA-N 0 0 329.400 2.165 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257271541 244378435 /nfs/dbraw/zinc/37/84/35/244378435.db2.gz MYSVCWLGXYNIMB-HNNXBMFYSA-N 0 0 327.432 2.091 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257272852 244382038 /nfs/dbraw/zinc/38/20/38/244382038.db2.gz NEDBLTKIBFTYSO-AWEZNQCLSA-N 0 0 336.399 2.085 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000257277862 244397727 /nfs/dbraw/zinc/39/77/27/244397727.db2.gz NZVNUQBIZSJDKB-LBPRGKRZSA-N 0 0 339.486 2.329 40 0 EEABRN COc1ccc(C)cc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000089618579 203583289 /nfs/dbraw/zinc/58/32/89/203583289.db2.gz FQCYLQBFCDBLRE-UHFFFAOYSA-N 0 0 345.399 2.197 40 0 EEABRN CC(=O)N1c2ccc(NC(=O)CN3C[C@@H](C)O[C@@H](C)C3)cc2C[C@H]1C ZINC000019497813 212032655 /nfs/dbraw/zinc/03/26/55/212032655.db2.gz QFXZIDXLEFXTGB-MCIONIFRSA-N 0 0 345.443 2.032 40 0 EEABRN c1ccc(OC[C@]23CCCO[C@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040355 203800587 /nfs/dbraw/zinc/80/05/87/203800587.db2.gz WAYOXGFZSBQLIN-MAUKXSAKSA-N 0 0 326.400 2.326 40 0 EEABRN CC1=NC2(CCC(C(=O)NCCc3cccs3)CC2)C(=O)N1C ZINC000096094806 203834443 /nfs/dbraw/zinc/83/44/43/203834443.db2.gz AWRKPEAJRGNPCI-UHFFFAOYSA-N 0 0 333.457 2.226 40 0 EEABRN O=C(c1ccncc1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096110422 203838561 /nfs/dbraw/zinc/83/85/61/203838561.db2.gz SWRDNVLEYHFFOS-APWZRJJASA-N 0 0 339.395 2.177 40 0 EEABRN O=C(NCc1cnc2n1CCN(Cc1ccc(F)cc1)C2)C1CC1 ZINC000096201174 203864395 /nfs/dbraw/zinc/86/43/95/203864395.db2.gz VEMMOXUGERVNPB-UHFFFAOYSA-N 0 0 328.391 2.064 40 0 EEABRN c1ccc(Nc2ccnc([C@H]3COCCN3C3CCOCC3)n2)nc1 ZINC000096215779 203870851 /nfs/dbraw/zinc/87/08/51/203870851.db2.gz CCTQSECJWZKJOH-OAHLLOKOSA-N 0 0 341.415 2.168 40 0 EEABRN CC(C)Nc1ccnc([C@H]2COCCN2C(=O)Cc2ccccc2)n1 ZINC000096219951 203872968 /nfs/dbraw/zinc/87/29/68/203872968.db2.gz BISMQFAZBFQBEP-MRXNPFEDSA-N 0 0 340.427 2.440 40 0 EEABRN O=C(c1cccc(F)c1)N1CC[C@@H]2CN(c3ncccn3)CC[C@H]21 ZINC000096249218 203882110 /nfs/dbraw/zinc/88/21/10/203882110.db2.gz PDQNEJWEILKDPV-GDBMZVCRSA-N 0 0 326.375 2.357 40 0 EEABRN CC[C@@H](C)NC(=O)c1nn(C)c(NC(=O)c2ccccc2OC)c1F ZINC000041070613 203998385 /nfs/dbraw/zinc/99/83/85/203998385.db2.gz HIVFYCFXBWBXDN-SNVBAGLBSA-N 0 0 348.378 2.348 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)n1 ZINC000041122520 204007103 /nfs/dbraw/zinc/00/71/03/204007103.db2.gz GSYMAAKYGXMKOY-AWEZNQCLSA-N 0 0 331.420 2.413 40 0 EEABRN COCCN1CC2(CCC1=O)CCN(C(=O)c1cccs1)CC2 ZINC000108534456 204267572 /nfs/dbraw/zinc/26/75/72/204267572.db2.gz VPBFBBIBPQLNIK-UHFFFAOYSA-N 0 0 336.457 2.239 40 0 EEABRN COc1ccccc1CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000044998908 204310268 /nfs/dbraw/zinc/31/02/68/204310268.db2.gz LLYHSDZHHOTZEZ-OAHLLOKOSA-N 0 0 330.428 2.445 40 0 EEABRN O=C(Cn1c(=O)onc1-c1cccs1)NCCCc1ccccc1 ZINC000048344859 204347528 /nfs/dbraw/zinc/34/75/28/204347528.db2.gz YYLNDWOJMDLENV-UHFFFAOYSA-N 0 0 343.408 2.314 40 0 EEABRN COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000130815829 205259272 /nfs/dbraw/zinc/25/92/72/205259272.db2.gz DWGCBSKWJVMBTE-HNNXBMFYSA-N 0 0 341.411 2.498 40 0 EEABRN O=C(N[C@H]1CCc2cc(F)ccc21)N1CCN(C(=O)C2CCC2)CC1 ZINC000095349274 218283947 /nfs/dbraw/zinc/28/39/47/218283947.db2.gz YUCDOKZTQNQRKR-KRWDZBQOSA-N 0 0 345.418 2.467 40 0 EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1c(F)cccc1F ZINC000096098582 218591356 /nfs/dbraw/zinc/59/13/56/218591356.db2.gz JBLWSXUFZHQBSR-UHFFFAOYSA-N 0 0 348.353 2.461 40 0 EEABRN CN1C(=O)C[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000096181110 218643001 /nfs/dbraw/zinc/64/30/01/218643001.db2.gz FOYHSDWDBSQVHU-SWLSCSKDSA-N 0 0 343.408 2.005 40 0 EEABRN COc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)nnn1Cc1ccccc1 ZINC000096183467 218646413 /nfs/dbraw/zinc/64/64/13/218646413.db2.gz IJBRNKOAPDONSW-OKILXGFUSA-N 0 0 328.416 2.453 40 0 EEABRN COCCN1CC[C@]2(CCCN(C(=O)c3cc(C)oc3C)CC2)C1=O ZINC000108530153 285060734 /nfs/dbraw/zinc/06/07/34/285060734.db2.gz OZOIDIZRJQBBSR-LJQANCHMSA-N 0 0 348.443 2.388 40 0 EEABRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cnccn1 ZINC000096423101 218790010 /nfs/dbraw/zinc/79/00/10/218790010.db2.gz ZCUIUOPODFSNJW-UHFFFAOYSA-N 0 0 346.696 2.353 40 0 EEABRN COc1ncccc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000096431466 218805820 /nfs/dbraw/zinc/80/58/20/218805820.db2.gz BCYFXNCURWQBSF-UHFFFAOYSA-N 0 0 340.358 2.388 40 0 EEABRN COCCCN(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000096436422 218815373 /nfs/dbraw/zinc/81/53/73/218815373.db2.gz XPZMZPAXSLUSBF-UHFFFAOYSA-N 0 0 340.214 2.245 40 0 EEABRN CC[C@H](C(=O)NCc1ccc(-c2cc[nH]n2)cc1)N1CCCC1=O ZINC000096436130 218815872 /nfs/dbraw/zinc/81/58/72/218815872.db2.gz ZKPYWZFKWGIHDR-MRXNPFEDSA-N 0 0 326.400 2.094 40 0 EEABRN CN(C)C(=O)CCNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000096446027 218829151 /nfs/dbraw/zinc/82/91/51/218829151.db2.gz ZSNSBUDIIZDTLO-UHFFFAOYSA-N 0 0 349.822 2.185 40 0 EEABRN O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cnc2ccccc2n1 ZINC000096454581 218838178 /nfs/dbraw/zinc/83/81/78/218838178.db2.gz LROPIOFAEIAKBR-UHFFFAOYSA-N 0 0 338.411 2.199 40 0 EEABRN Cc1cc(N2CCC(NC(=O)c3ccnc(F)c3)CC2)nc(C)n1 ZINC000096454888 218839008 /nfs/dbraw/zinc/83/90/08/218839008.db2.gz BSRBCVUKOHCWEQ-UHFFFAOYSA-N 0 0 329.379 2.026 40 0 EEABRN COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000072227911 257686816 /nfs/dbraw/zinc/68/68/16/257686816.db2.gz XEFOBVBEPYTFBK-HOTGVXAUSA-N 0 0 346.770 2.493 40 0 EEABRN Cn1cccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000409377894 257871953 /nfs/dbraw/zinc/87/19/53/257871953.db2.gz MAOIWXJFSCQDKE-RAXLEYEMSA-N 0 0 333.413 2.074 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408562441 257896544 /nfs/dbraw/zinc/89/65/44/257896544.db2.gz PNWDFVGTRIJWIO-LBPRGKRZSA-N 0 0 325.434 2.391 40 0 EEABRN Cc1occc1C(=O)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 ZINC000306143881 257926188 /nfs/dbraw/zinc/92/61/88/257926188.db2.gz YPKBFWFJVRQCQI-NUEKZKHPSA-N 0 0 327.384 2.182 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000245312439 258000420 /nfs/dbraw/zinc/00/04/20/258000420.db2.gz JFOSKHIGWYQJQM-BREBYQMCSA-N 0 0 340.395 2.058 40 0 EEABRN CO[C@@H](C)CNC(=O)Nc1ccc(I)cc1 ZINC000189650593 533337641 /nfs/dbraw/zinc/33/76/41/533337641.db2.gz PVSGKDFFGFCFIF-QMMMGPOBSA-N 0 0 334.157 2.448 40 0 EEABRN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOc2ccccc21 ZINC000071499554 132814468 /nfs/dbraw/zinc/81/44/68/132814468.db2.gz PDVJZDFPDXLOGZ-UHFFFAOYSA-N 0 0 336.347 2.098 40 0 EEABRN CC1CCN(c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2Cl)CC1 ZINC000057332374 135610914 /nfs/dbraw/zinc/61/09/14/135610914.db2.gz NULBSTCHKXFXSF-LBPRGKRZSA-N 0 0 335.835 2.415 40 0 EEABRN COc1cc(C)sc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000070783998 286216177 /nfs/dbraw/zinc/21/61/77/286216177.db2.gz RPRKLHILNUHCOS-GFCCVEGCSA-N 0 0 332.429 2.254 40 0 EEABRN Cc1nc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)sc1C ZINC000173650604 152184052 /nfs/dbraw/zinc/18/40/52/152184052.db2.gz MAUNSHBSJLTBDL-HNNXBMFYSA-N 0 0 344.440 2.143 40 0 EEABRN COCCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000072327757 292275871 /nfs/dbraw/zinc/27/58/71/292275871.db2.gz POPGMGDTBRBTCH-BEFAXECRSA-N 0 0 346.427 2.044 40 0 EEABRN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1C(N)=S ZINC000218210726 286692094 /nfs/dbraw/zinc/69/20/94/286692094.db2.gz FQFLOGFOGDUONG-DCAQKATOSA-N 0 0 348.287 2.252 40 0 EEABRN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cnc2N)C1(C)C ZINC000154634308 159689165 /nfs/dbraw/zinc/68/91/65/159689165.db2.gz FNMWBONYCVTZNC-NWDGAFQWSA-N 0 0 347.868 2.141 40 0 EEABRN Cc1cc(C)nc(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)n1 ZINC000291044770 275264350 /nfs/dbraw/zinc/26/43/50/275264350.db2.gz BHDCGFWFJKLYPP-UHFFFAOYSA-N 0 0 333.413 2.366 40 0 EEABRN O=S(=O)(CC12CCC(CC1)C2)NCc1cccc(-n2cncn2)c1 ZINC000291722681 275333714 /nfs/dbraw/zinc/33/37/14/275333714.db2.gz PXRSTQOJNQAPOJ-UHFFFAOYSA-N 0 0 346.456 2.267 40 0 EEABRN CC1(C)CN=C(N2CCN(c3ccc4nccnc4n3)CC2)S1 ZINC000095412164 276137562 /nfs/dbraw/zinc/13/75/62/276137562.db2.gz AHKZGCAENLCVAQ-UHFFFAOYSA-N 0 0 328.445 2.028 40 0 EEABRN CC(=O)Nc1nc(CNc2ccccc2CC(=O)N(C)C)cs1 ZINC000096446938 277091503 /nfs/dbraw/zinc/09/15/03/277091503.db2.gz CBKMLEFWGVHTFR-UHFFFAOYSA-N 0 0 332.429 2.344 40 0 EEABRN C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc3c2OCC3)CCS1(=O)=O ZINC000097371298 278091751 /nfs/dbraw/zinc/09/17/51/278091751.db2.gz LPDZKUDBNIHHCG-WDEREUQCSA-N 0 0 329.849 2.282 40 0 EEABRN C[C@H](N1CCN(c2ncc(Br)cn2)CC1)C(F)(F)F ZINC000096453783 278232839 /nfs/dbraw/zinc/23/28/39/278232839.db2.gz ZHLYTYOLNGWCHX-QMMMGPOBSA-N 0 0 339.159 2.312 40 0 EEABRN CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004009148 278237613 /nfs/dbraw/zinc/23/76/13/278237613.db2.gz DBQNEWHUHBLPIW-HOSYDEDBSA-N 0 0 336.697 2.150 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000225517198 280034365 /nfs/dbraw/zinc/03/43/65/280034365.db2.gz XQHBGEGRDYTVNR-UHFFFAOYSA-N 0 0 348.424 2.036 40 0 EEABRN O=C(c1cscn1)N1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096106970 280237269 /nfs/dbraw/zinc/23/72/69/280237269.db2.gz PKPWHJSIAWGIHD-CYBMUJFWSA-N 0 0 345.424 2.381 40 0 EEABRN C[C@@H]1Cc2cc(C(N)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449291 288803543 /nfs/dbraw/zinc/80/35/43/288803543.db2.gz ZBPJVSHKCDGNEY-SNVBAGLBSA-N 0 0 334.372 2.065 40 0 EEABRN C[C@H]1CC(=O)n2c(=O)/c(=C\c3ccc(Cl)cc3Cl)sc2=N1 ZINC000016608407 290326500 /nfs/dbraw/zinc/32/65/00/290326500.db2.gz STOQWIATEHJNPQ-AUEGDVLESA-N 0 0 341.219 2.097 40 0 EEABRN CCn1nncc1C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000293736476 293282494 /nfs/dbraw/zinc/28/24/94/293282494.db2.gz OURLDPYWMIKEDU-CQSZACIVSA-N 0 0 331.395 2.144 40 0 EEABRN CC(C)OCCCNC(=O)C(=O)NCc1ccccc1OC(C)C ZINC000298133829 294428694 /nfs/dbraw/zinc/42/86/94/294428694.db2.gz YRPQAFFWQOFWCC-UHFFFAOYSA-N 0 0 336.432 2.021 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 ZINC000257224834 295104511 /nfs/dbraw/zinc/10/45/11/295104511.db2.gz FDPZIVLYWNWMDT-OAHLLOKOSA-N 0 0 329.400 2.178 40 0 EEABRN O=C(c1ccccc1Br)N1CCOC[C@@]12CCOC2 ZINC000194422126 304564363 /nfs/dbraw/zinc/56/43/63/304564363.db2.gz MNWMSEGKNMYIHF-AWEZNQCLSA-N 0 0 326.190 2.081 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000095450786 301065026 /nfs/dbraw/zinc/06/50/26/301065026.db2.gz ATMUPEZHDUPUKF-NVXWUHKLSA-N 0 0 347.365 2.137 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)N3CCCCCC3)OCC(=O)N2C)cc1 ZINC000096181564 301845042 /nfs/dbraw/zinc/84/50/42/301845042.db2.gz MABHPSBHCVFLPL-ROUUACIJSA-N 0 0 330.428 2.296 40 0 EEABRN O[C@@H]1O[C@H]([C@@H]2COC3(CCCCC3)O2)[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000003894371 304838249 /nfs/dbraw/zinc/83/82/49/304838249.db2.gz DBZINKYMMNBMIR-CQJMVSDSSA-N 0 0 340.416 2.224 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000330096277 311723614 /nfs/dbraw/zinc/72/36/14/311723614.db2.gz XBYZWKLRJDQGOL-LJQANCHMSA-N 0 0 334.379 2.391 40 0 EEABRN C[C@H]1OCC[C@]1(C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000332854675 312062356 /nfs/dbraw/zinc/06/23/56/312062356.db2.gz CDBWEDYKNLBLRW-KUHUBIRLSA-N 0 0 345.443 2.158 40 0 EEABRN O=C(NC[C@H]1CCCC1(F)F)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000334093771 312238634 /nfs/dbraw/zinc/23/86/34/312238634.db2.gz PUSHRCFTDCBQDN-KGLIPLIRSA-N 0 0 337.370 2.305 40 0 EEABRN CC(C)CCn1ccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000097104117 323321257 /nfs/dbraw/zinc/32/12/57/323321257.db2.gz VWAHOKDCBYKSSM-INIZCTEOSA-N 0 0 349.479 2.115 40 0 EEABRN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000155241694 323332333 /nfs/dbraw/zinc/33/23/33/323332333.db2.gz MZNYQGXFYRAOAR-IAGOWNOFSA-N 0 0 342.439 2.475 40 0 EEABRN C[C@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)Cn1cccn1 ZINC000195574751 323515229 /nfs/dbraw/zinc/51/52/29/323515229.db2.gz SUSWDKJDFFXPGI-DOMZBBRYSA-N 0 0 332.379 2.481 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000195572575 323515361 /nfs/dbraw/zinc/51/53/61/323515361.db2.gz JKVXOSOORWDXDM-NEPJUHHUSA-N 0 0 345.447 2.432 40 0 EEABRN Cc1cc([C@H](C)NC(=O)c2ccc(CNS(C)(=O)=O)o2)c(C)o1 ZINC000084754324 463628459 /nfs/dbraw/zinc/62/84/59/463628459.db2.gz CLCLIEXFTDLPPG-JTQLQIEISA-N 0 0 340.401 2.030 40 0 EEABRN CCOc1ccccc1C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 ZINC000085436737 462547955 /nfs/dbraw/zinc/54/79/55/462547955.db2.gz VEWQCFCDOPFCIE-INIZCTEOSA-N 0 0 344.411 2.170 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000085469103 462550354 /nfs/dbraw/zinc/55/03/54/462550354.db2.gz WSIRVQJILZYODM-DAXOMENPSA-N 0 0 337.847 2.400 40 0 EEABRN CN(c1ccccc1C(=O)NCCSC(C)(C)C)S(C)(=O)=O ZINC000060512509 462555208 /nfs/dbraw/zinc/55/52/08/462555208.db2.gz TWPNVHNTAKWEIP-UHFFFAOYSA-N 0 0 344.502 2.344 40 0 EEABRN CCN(CC)c1ccc2c(c1)oc(=O)c(C=O)c2N1CCOCC1 ZINC000000353511 462556265 /nfs/dbraw/zinc/55/62/65/462556265.db2.gz INUOZOKAPUABEA-UHFFFAOYSA-N 0 0 330.384 2.288 40 0 EEABRN CCc1ccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)cc1 ZINC000000785385 462573717 /nfs/dbraw/zinc/57/37/17/462573717.db2.gz FPWQHICEYBONQT-UHFFFAOYSA-N 0 0 338.473 2.418 40 0 EEABRN CCc1c2nnc(SCC(=O)Nc3ccccc3)n2c(N)nc1C ZINC000001331337 462579006 /nfs/dbraw/zinc/57/90/06/462579006.db2.gz HEVNRMGCNLBWCB-UHFFFAOYSA-N 0 0 342.428 2.308 40 0 EEABRN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N(C)Cc1cnn(C)c1C ZINC000002781665 462603205 /nfs/dbraw/zinc/60/32/05/462603205.db2.gz ITISBUPSJOOSHP-NSHDSACASA-N 0 0 343.353 2.472 40 0 EEABRN CC[C@@H](C)NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113966410 462618996 /nfs/dbraw/zinc/61/89/96/462618996.db2.gz RFRXPESLNIITND-LLVKDONJSA-N 0 0 348.415 2.426 40 0 EEABRN CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000003554585 462623466 /nfs/dbraw/zinc/62/34/66/462623466.db2.gz FNYIIHIAGTVKCX-UHFFFAOYSA-N 0 0 340.351 2.224 40 0 EEABRN COc1ccc(-c2nnc3s/c(=C/c4ccccc4)c(=O)n32)cc1 ZINC000004697340 462636622 /nfs/dbraw/zinc/63/66/22/462636622.db2.gz HJCQLIFFYDNENL-RVDMUPIBSA-N 0 0 335.388 2.374 40 0 EEABRN CC(C)(C)NC(=O)Cn1nc(-c2cc3c(s2)CCCC3)oc1=O ZINC000005018990 462643605 /nfs/dbraw/zinc/64/36/05/462643605.db2.gz LKOZTGCOAHJDHP-UHFFFAOYSA-N 0 0 335.429 2.358 40 0 EEABRN COc1cc(OC)cc(OCC(=O)NCc2ccccc2OC)c1 ZINC000005476664 462660899 /nfs/dbraw/zinc/66/08/99/462660899.db2.gz HGQRZNSOFINVEM-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN CCCCOC(=O)OCCNC(=O)[C@@H](C)OC(=O)OCCCC ZINC000005552638 462663148 /nfs/dbraw/zinc/66/31/48/462663148.db2.gz JYACJFZAMMVKOF-GFCCVEGCSA-N 0 0 333.381 2.398 40 0 EEABRN Cc1ccc(C)c(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])c1 ZINC000005812163 462670048 /nfs/dbraw/zinc/67/00/48/462670048.db2.gz MRGLKWYMYQFKCE-INIZCTEOSA-N 0 0 327.384 2.270 40 0 EEABRN CCCNC(=O)CSc1nnc(-c2ccccc2)n1CCOC ZINC000006879737 462710516 /nfs/dbraw/zinc/71/05/16/462710516.db2.gz QWKIUHXXXNXVAP-UHFFFAOYSA-N 0 0 334.445 2.210 40 0 EEABRN O=C(N[C@H]1C[C@H]1c1ccccc1F)c1cc(N2CCOCC2)ccn1 ZINC000130732112 462773600 /nfs/dbraw/zinc/77/36/00/462773600.db2.gz KQBPWYILWKDDGP-RDJZCZTQSA-N 0 0 341.386 2.343 40 0 EEABRN CC(=O)N1CCc2cc(S(=O)(=O)NC3CCC(C)CC3)ccc21 ZINC000008475367 462784265 /nfs/dbraw/zinc/78/42/65/462784265.db2.gz FUDMNTKMXJSLQF-UHFFFAOYSA-N 0 0 336.457 2.453 40 0 EEABRN Cc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000008508422 462786703 /nfs/dbraw/zinc/78/67/03/462786703.db2.gz ANXXAHQPZJUKTN-UHFFFAOYSA-N 0 0 349.408 2.124 40 0 EEABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(CC)nn2c1N ZINC000009287640 462801013 /nfs/dbraw/zinc/80/10/13/462801013.db2.gz UEOMLUHABOGRLS-UHFFFAOYSA-N 0 0 329.335 2.252 40 0 EEABRN CCSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009974330 462810214 /nfs/dbraw/zinc/81/02/14/462810214.db2.gz HZJADJNZVOHEGM-UHFFFAOYSA-N 0 0 349.412 2.122 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(SC)c(OC)c1 ZINC000065614630 462811594 /nfs/dbraw/zinc/81/15/94/462811594.db2.gz YDZYICGLHAHMNY-ZDUSSCGKSA-N 0 0 338.454 2.383 40 0 EEABRN CCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010367143 462818490 /nfs/dbraw/zinc/81/84/90/462818490.db2.gz LJNWFRILPPQOME-NSHDSACASA-N 0 0 332.853 2.329 40 0 EEABRN CCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010363089 462819062 /nfs/dbraw/zinc/81/90/62/462819062.db2.gz QJQRBDHQLSDKBQ-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCCCC1 ZINC000012084754 462841846 /nfs/dbraw/zinc/84/18/46/462841846.db2.gz QVLQVGDNZCUELR-AWEZNQCLSA-N 0 0 328.416 2.267 40 0 EEABRN Cc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3ccsc3n21 ZINC000012088505 462843821 /nfs/dbraw/zinc/84/38/21/462843821.db2.gz VEROBNQPRCYKPT-UHFFFAOYSA-N 0 0 339.380 2.053 40 0 EEABRN O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1OCOc2ccccc21 ZINC000012203080 462847140 /nfs/dbraw/zinc/84/71/40/462847140.db2.gz SRIARQHTEONQLZ-MRXNPFEDSA-N 0 0 337.335 2.461 40 0 EEABRN O=C(CCn1ccc2ccncc21)N1CCN(Cc2ccccn2)CC1 ZINC000012670988 462862440 /nfs/dbraw/zinc/86/24/40/462862440.db2.gz HHEZYUXSCKFFGM-UHFFFAOYSA-N 0 0 349.438 2.166 40 0 EEABRN COC(=O)c1cc(NC(=O)Oc2ccccn2)cc(C(=O)OC)c1 ZINC000013207966 462886719 /nfs/dbraw/zinc/88/67/19/462886719.db2.gz XBAGQAXLMVICAW-UHFFFAOYSA-N 0 0 330.296 2.266 40 0 EEABRN Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000013225778 462888213 /nfs/dbraw/zinc/88/82/13/462888213.db2.gz HCQPDXKQVQLBTD-UHFFFAOYSA-N 0 0 346.475 2.374 40 0 EEABRN Cn1nnc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000014258550 462923276 /nfs/dbraw/zinc/92/32/76/462923276.db2.gz PFKJJIHWVCDBNR-UHFFFAOYSA-N 0 0 348.160 2.485 40 0 EEABRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)s1 ZINC000014405934 462927281 /nfs/dbraw/zinc/92/72/81/462927281.db2.gz JPXVIZACDSMMMJ-UHFFFAOYSA-N 0 0 327.369 2.284 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358913 462949564 /nfs/dbraw/zinc/94/95/64/462949564.db2.gz YJYWFEXDJMUDTG-LBPRGKRZSA-N 0 0 339.438 2.130 40 0 EEABRN Cc1nc2ccccc2nc1CNc1ccc(S(N)(=O)=O)cc1 ZINC000016265241 462972936 /nfs/dbraw/zinc/97/29/36/462972936.db2.gz SHHIWEXSBXIXNV-UHFFFAOYSA-N 0 0 328.397 2.198 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OC)c2)cc1 ZINC000016505379 462982028 /nfs/dbraw/zinc/98/20/28/462982028.db2.gz JSDVBRZLBHGGNH-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1NC(C)=O ZINC000017071079 462994456 /nfs/dbraw/zinc/99/44/56/462994456.db2.gz YDUOIGUVJLXALM-UHFFFAOYSA-N 0 0 339.355 2.235 40 0 EEABRN Cc1ccc(CC(=O)NCCn2nc(-c3cccs3)oc2=O)cc1 ZINC000019209990 463015855 /nfs/dbraw/zinc/01/58/55/463015855.db2.gz YZBIHBYFXWGZST-UHFFFAOYSA-N 0 0 343.408 2.232 40 0 EEABRN CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000052411894 463077666 /nfs/dbraw/zinc/07/76/66/463077666.db2.gz ZLTSJZRAPFGJFA-CYBMUJFWSA-N 0 0 334.441 2.375 40 0 EEABRN Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)n[nH]1 ZINC000095449241 463086753 /nfs/dbraw/zinc/08/67/53/463086753.db2.gz IHDHSNVMYCAXHI-LLVKDONJSA-N 0 0 336.798 2.448 40 0 EEABRN COCc1nc2n(n1)C[C@@H](NC(=O)NCC1(C)CCCCCC1)CC2 ZINC000095463898 463089408 /nfs/dbraw/zinc/08/94/08/463089408.db2.gz RLYPYZWAQPIIGA-AWEZNQCLSA-N 0 0 349.479 2.399 40 0 EEABRN CCOC[C@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 ZINC000096039403 463143965 /nfs/dbraw/zinc/14/39/65/463143965.db2.gz KQWGFOZKRNHFRX-IEBWSBKVSA-N 0 0 333.428 2.500 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039838 463145525 /nfs/dbraw/zinc/14/55/25/463145525.db2.gz ZSUJIFZEZXIXMV-MJGOQNOKSA-N 0 0 332.444 2.463 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cn1 ZINC000096039853 463145559 /nfs/dbraw/zinc/14/55/59/463145559.db2.gz KLRGCDYYNHTCNZ-PKOBYXMFSA-N 0 0 345.443 2.223 40 0 EEABRN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4c(C)noc4C)C[C@@H]32)n1 ZINC000096043455 463149084 /nfs/dbraw/zinc/14/90/84/463149084.db2.gz FQHROGLFQMPYHO-MGPQQGTHSA-N 0 0 346.387 2.018 40 0 EEABRN Cc1nc(CN2C[C@@]3(CCN(C(=O)c4ccco4)C3)CC2=O)cs1 ZINC000096050920 463154495 /nfs/dbraw/zinc/15/44/95/463154495.db2.gz PUUCFMGBXFELSG-KRWDZBQOSA-N 0 0 345.424 2.309 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)o1 ZINC000096066411 463164158 /nfs/dbraw/zinc/16/41/58/463164158.db2.gz XASZLCWWXKRPEW-MGPQQGTHSA-N 0 0 331.372 2.314 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)[nH]n1 ZINC000096077399 463169120 /nfs/dbraw/zinc/16/91/20/463169120.db2.gz VBZKYANWUPMCHF-LJQANCHMSA-N 0 0 338.411 2.296 40 0 EEABRN Cc1c(C(=O)N2CCCS2(=O)=O)cnn1-c1ccccc1Cl ZINC000078995147 463176571 /nfs/dbraw/zinc/17/65/71/463176571.db2.gz MMYXZEYNSQOVJF-UHFFFAOYSA-N 0 0 339.804 2.010 40 0 EEABRN CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000079029024 463180959 /nfs/dbraw/zinc/18/09/59/463180959.db2.gz OXWITVOWSVRVAO-SNVBAGLBSA-N 0 0 333.215 2.455 40 0 EEABRN Cc1ccc(C)c(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 ZINC000096120908 463182128 /nfs/dbraw/zinc/18/21/28/463182128.db2.gz XFMOHBIHVDTOSQ-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN C[C@H]([C@H](C)N(C)C(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O ZINC000079098352 463188471 /nfs/dbraw/zinc/18/84/71/463188471.db2.gz ZJHVWNRNRZQOKD-NWDGAFQWSA-N 0 0 346.880 2.346 40 0 EEABRN O=C(C1CC=CC1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1 ZINC000096189145 463200761 /nfs/dbraw/zinc/20/07/61/463200761.db2.gz CODMTIOMKSJDAE-OAHLLOKOSA-N 0 0 338.411 2.282 40 0 EEABRN O=C(c1cnc2n1CCN(Cc1cccc(F)c1)C2)N1CCCC1 ZINC000096198675 463204863 /nfs/dbraw/zinc/20/48/63/463204863.db2.gz RGZNGCOCFCTSAB-UHFFFAOYSA-N 0 0 328.391 2.274 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)N(C)Cc2nnc3n2CCC3)s1 ZINC000079310094 463205094 /nfs/dbraw/zinc/20/50/94/463205094.db2.gz RHLRLIHQZRWKMB-UHFFFAOYSA-N 0 0 342.371 2.468 40 0 EEABRN COc1ccc(F)cc1C[S@@](=O)CC(=O)NCc1ccccc1 ZINC000079324517 463206300 /nfs/dbraw/zinc/20/63/00/463206300.db2.gz FXWIWPNUHXAJPQ-QHCPKHFHSA-N 0 0 335.400 2.399 40 0 EEABRN c1cc(CN2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229455 463223312 /nfs/dbraw/zinc/22/33/12/463223312.db2.gz ZWLCAUUAXZOPDO-GOSISDBHSA-N 0 0 345.468 2.251 40 0 EEABRN Cc1occc1C(=O)N1CCc2ncnc(-c3cnn(C)c3)c2CC1 ZINC000096255204 463228247 /nfs/dbraw/zinc/22/82/47/463228247.db2.gz ADOCAGXIIFFEBO-UHFFFAOYSA-N 0 0 337.383 2.020 40 0 EEABRN O=C(N1CCCC1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260109 463229502 /nfs/dbraw/zinc/22/95/02/463229502.db2.gz DHZQMWWYOWRMQE-UHFFFAOYSA-N 0 0 328.372 2.223 40 0 EEABRN CO[C@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(F)c1 ZINC000096388390 463236981 /nfs/dbraw/zinc/23/69/81/463236981.db2.gz AOEXBUURSSIBHK-CYBMUJFWSA-N 0 0 328.365 2.097 40 0 EEABRN COC(=O)CCNC(=O)CCOc1ccc(C)cc1Br ZINC000096402379 463237173 /nfs/dbraw/zinc/23/71/73/463237173.db2.gz FIRSYTPGENYHQY-UHFFFAOYSA-N 0 0 344.205 2.206 40 0 EEABRN O=C(COCC1CC1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408147 463241302 /nfs/dbraw/zinc/24/13/02/463241302.db2.gz GBLNWCBQOYRGIV-ZDUSSCGKSA-N 0 0 340.370 2.410 40 0 EEABRN CCc1ccc(NC(=O)C[C@@H](C)n2cccc2)cc1S(N)(=O)=O ZINC000096408397 463241396 /nfs/dbraw/zinc/24/13/96/463241396.db2.gz CKFPZJGYIFJZAL-GFCCVEGCSA-N 0 0 335.429 2.288 40 0 EEABRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NC1(c3ccccc3F)CC1)CS2 ZINC000096412129 463244682 /nfs/dbraw/zinc/24/46/82/463244682.db2.gz CCRALOQTNPWYGT-CZUORRHYSA-N 0 0 334.416 2.385 40 0 EEABRN C[C@@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccc(F)cc1 ZINC000096413461 463246199 /nfs/dbraw/zinc/24/61/99/463246199.db2.gz CBYAJXIVOOLJJE-JNDILOIQSA-N 0 0 348.399 2.379 40 0 EEABRN CN(Cc1ccccc1F)C(=O)NCC(C)(C)CCS(C)(=O)=O ZINC000096415596 463248193 /nfs/dbraw/zinc/24/81/93/463248193.db2.gz HBBHMWQOBVZITB-UHFFFAOYSA-N 0 0 344.452 2.428 40 0 EEABRN O=C(CNC(=O)c1ccccn1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000096416910 463249361 /nfs/dbraw/zinc/24/93/61/463249361.db2.gz BQMDTRSBEFGJFJ-MRXNPFEDSA-N 0 0 341.386 2.184 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)OCc2cnc(-c3cccs3)o2)c1C ZINC000096418406 463250447 /nfs/dbraw/zinc/25/04/47/463250447.db2.gz MLEZZSFXACERDF-UHFFFAOYSA-N 0 0 345.380 2.471 40 0 EEABRN O=C(NCCc1ccsc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096420476 463251626 /nfs/dbraw/zinc/25/16/26/463251626.db2.gz GFWLMIBJZVUCIJ-QGZVFWFLSA-N 0 0 330.453 2.308 40 0 EEABRN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Cl)c1F ZINC000096420347 463251663 /nfs/dbraw/zinc/25/16/63/463251663.db2.gz SBVHWSOMOYNABZ-JOYOIKCWSA-N 0 0 328.771 2.085 40 0 EEABRN Cc1nc(CN[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)no1 ZINC000136680298 463252420 /nfs/dbraw/zinc/25/24/20/463252420.db2.gz BOICFBCNWWUBSF-LBPRGKRZSA-N 0 0 338.293 2.394 40 0 EEABRN COC[C@H]1CCCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C1 ZINC000096423731 463254024 /nfs/dbraw/zinc/25/40/24/463254024.db2.gz DZOIETOWWBWPEE-AWEZNQCLSA-N 0 0 348.418 2.380 40 0 EEABRN Cn1cc(CCC(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cn1 ZINC000096425568 463254578 /nfs/dbraw/zinc/25/45/78/463254578.db2.gz DSETZTYDEVSPKH-UHFFFAOYSA-N 0 0 341.820 2.048 40 0 EEABRN NC(=O)N1CCC(NC(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000096426419 463255950 /nfs/dbraw/zinc/25/59/50/463255950.db2.gz HASKADMQQUAIDR-UHFFFAOYSA-N 0 0 348.790 2.268 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000096426337 463256125 /nfs/dbraw/zinc/25/61/25/463256125.db2.gz WSJWXXLQMHXPOA-JKSUJKDBSA-N 0 0 341.411 2.273 40 0 EEABRN CC(C)=CC(=O)NCc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000096430585 463260274 /nfs/dbraw/zinc/26/02/74/463260274.db2.gz TZYRDQNCCZHRKG-UHFFFAOYSA-N 0 0 340.427 2.275 40 0 EEABRN C[C@@H](NC(=O)CCc1cnn(C)c1)c1nc(-c2cccc(F)c2)no1 ZINC000096432783 463260958 /nfs/dbraw/zinc/26/09/58/463260958.db2.gz HZQLUNKDUBIZRU-LLVKDONJSA-N 0 0 343.362 2.419 40 0 EEABRN O=C(NCc1nnc2n1CCC2)N1CCSC2(CCCCC2)C1 ZINC000079941369 463263648 /nfs/dbraw/zinc/26/36/48/463263648.db2.gz AXGKXBPAIHOSLA-UHFFFAOYSA-N 0 0 335.477 2.186 40 0 EEABRN Cc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)no1 ZINC000096439452 463265644 /nfs/dbraw/zinc/26/56/44/463265644.db2.gz OTBHQRMGXCNMRW-INIZCTEOSA-N 0 0 342.399 2.286 40 0 EEABRN CC[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC000096439253 463265736 /nfs/dbraw/zinc/26/57/36/463265736.db2.gz VTJVDLDVLSYLLM-VXGBXAGGSA-N 0 0 339.427 2.408 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)NCCCc2cnn(C)c2)C12CCCC2 ZINC000096439725 463266000 /nfs/dbraw/zinc/26/60/00/463266000.db2.gz XDRMOKAXRLRSKX-CVEARBPZSA-N 0 0 334.464 2.390 40 0 EEABRN C[C@H](c1ccc(Cl)cc1)N1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000096441552 463266840 /nfs/dbraw/zinc/26/68/40/463266840.db2.gz YTNPOFKGZYZGJS-CQSZACIVSA-N 0 0 349.862 2.168 40 0 EEABRN COc1c(C(=O)OC[C@H]2CCN(c3ccccc3)C2)c(C)nn1C ZINC000096442402 463268735 /nfs/dbraw/zinc/26/87/35/463268735.db2.gz DKJJLQBLOJKHGZ-AWEZNQCLSA-N 0 0 329.400 2.420 40 0 EEABRN CO[C@@]1(C)C[C@H](NC(=O)CCn2c(C)c(C)sc2=O)C1(C)C ZINC000096443839 463269454 /nfs/dbraw/zinc/26/94/54/463269454.db2.gz LSVFGHGFHCIRDV-LRDDRELGSA-N 0 0 326.462 2.237 40 0 EEABRN C[S@](=O)c1nncn1CC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000096447742 463270681 /nfs/dbraw/zinc/27/06/81/463270681.db2.gz WDKCWFOIALHAPY-XMMPIXPASA-N 0 0 337.404 2.470 40 0 EEABRN CCOc1cccnc1C(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000096451273 463272984 /nfs/dbraw/zinc/27/29/84/463272984.db2.gz QFNWRDXCHPAQAP-UHFFFAOYSA-N 0 0 329.385 2.257 40 0 EEABRN Cc1ccsc1-c1nnc(NC(=O)CN2C[C@@H](C)OC[C@@H]2C)o1 ZINC000096485256 463283887 /nfs/dbraw/zinc/28/38/87/463283887.db2.gz BHPBHTBNLDFZQQ-WDEREUQCSA-N 0 0 336.417 2.154 40 0 EEABRN C[C@@H](c1ccccn1)N(CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497132 463290689 /nfs/dbraw/zinc/29/06/89/463290689.db2.gz GNBSVVCUKZJRAS-HNNXBMFYSA-N 0 0 338.411 2.197 40 0 EEABRN Cn1nc2n(c1=O)CCN(C(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000096501235 463291517 /nfs/dbraw/zinc/29/15/17/463291517.db2.gz PFWJIDGOMKGNGD-UHFFFAOYSA-N 0 0 349.394 2.356 40 0 EEABRN CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000096502789 463292992 /nfs/dbraw/zinc/29/29/92/463292992.db2.gz JTQMJIAXLDVJAQ-QGZVFWFLSA-N 0 0 342.443 2.376 40 0 EEABRN Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000055410339 463318278 /nfs/dbraw/zinc/31/82/78/463318278.db2.gz SRBJILPHTJGVAN-UHFFFAOYSA-N 0 0 332.410 2.375 40 0 EEABRN C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000097228038 463349806 /nfs/dbraw/zinc/34/98/06/463349806.db2.gz NOVPDNXEKPHGGR-SMDDNHRTSA-N 0 0 326.322 2.327 40 0 EEABRN COc1ccc([C@H](C)NCc2ncnn2C)c(Br)c1 ZINC000097230991 463351543 /nfs/dbraw/zinc/35/15/43/463351543.db2.gz LVRPLBULTDONEN-VIFPVBQESA-N 0 0 325.210 2.437 40 0 EEABRN CCn1cnc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000080758247 463353314 /nfs/dbraw/zinc/35/33/14/463353314.db2.gz QVOKRJFOWVONGY-OAHLLOKOSA-N 0 0 349.456 2.383 40 0 EEABRN O=C(c1ccoc1)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953502 463366281 /nfs/dbraw/zinc/36/62/81/463366281.db2.gz GAMZDSJVMVXNDB-LXZKKBNFSA-N 0 0 327.384 2.406 40 0 EEABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032585691 463382186 /nfs/dbraw/zinc/38/21/86/463382186.db2.gz SPGICGFHRSAUKQ-UHFFFAOYSA-N 0 0 339.344 2.422 40 0 EEABRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)N1CCCC1 ZINC000035312183 463431764 /nfs/dbraw/zinc/43/17/64/463431764.db2.gz VUMSWBVADIDLGN-UHFFFAOYSA-N 0 0 331.376 2.360 40 0 EEABRN CC(C)CCNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000039543352 463451397 /nfs/dbraw/zinc/45/13/97/463451397.db2.gz ORSLQSMXOLHGJE-ACJLOTCBSA-N 0 0 337.464 2.286 40 0 EEABRN CN(C)c1nc(N)nc(CN(C)[C@H](c2ccccc2)c2ccccn2)n1 ZINC000083171149 463536999 /nfs/dbraw/zinc/53/69/99/463536999.db2.gz IALWRWVGRXWTAM-QGZVFWFLSA-N 0 0 349.442 2.136 40 0 EEABRN COc1ccc(CCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1F ZINC000084583564 463614005 /nfs/dbraw/zinc/61/40/05/463614005.db2.gz QEYWQEVYUCIPRV-TZMCWYRMSA-N 0 0 336.407 2.269 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)ccn1 ZINC000257284722 463760948 /nfs/dbraw/zinc/76/09/48/463760948.db2.gz PDZGQTFGTHJYLB-CQSZACIVSA-N 0 0 333.823 2.361 40 0 EEABRN CC(C)c1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000257283291 463761393 /nfs/dbraw/zinc/76/13/93/463761393.db2.gz OXRFPSWHBOFTMR-FRFSOERESA-N 0 0 330.384 2.499 40 0 EEABRN CO[C@H]1CCCOC12CC[NH+](Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257285289 463761660 /nfs/dbraw/zinc/76/16/60/463761660.db2.gz PGLVIEFFWVJHGU-KRWDZBQOSA-N 0 0 349.427 2.310 40 0 EEABRN Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@H]23)nn1 ZINC000257284261 463761725 /nfs/dbraw/zinc/76/17/25/463761725.db2.gz PBYFSVIRQWUBJD-OWCLPIDISA-N 0 0 339.443 2.111 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)CCn3ncc4ccccc43)CCO2)n1 ZINC000257285216 463762036 /nfs/dbraw/zinc/76/20/36/463762036.db2.gz PGDLQKFWDMELSU-INIZCTEOSA-N 0 0 339.399 2.058 40 0 EEABRN CCn1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccc(F)c3)CC2)cn1 ZINC000257287486 463763121 /nfs/dbraw/zinc/76/31/21/463763121.db2.gz PQESATFWPCROKX-IRXDYDNUSA-N 0 0 347.390 2.087 40 0 EEABRN CC(=O)N1CC[C@H](Cc2nccnc2C(=O)NC2CCCCCC2)C1 ZINC000257294765 463765640 /nfs/dbraw/zinc/76/56/40/463765640.db2.gz QVQANXCISVHQAS-OAHLLOKOSA-N 0 0 344.459 2.340 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)s1 ZINC000257298666 463767437 /nfs/dbraw/zinc/76/74/37/463767437.db2.gz RMUXABYMBLRDKT-AWEZNQCLSA-N 0 0 346.456 2.332 40 0 EEABRN O=C(CC1CCOCC1)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257298196 463767871 /nfs/dbraw/zinc/76/78/71/463767871.db2.gz RKPCITXPDIIHDE-HNNXBMFYSA-N 0 0 328.416 2.481 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000257305592 463770780 /nfs/dbraw/zinc/77/07/80/463770780.db2.gz SQRDYLRVYFFEBB-OAHLLOKOSA-N 0 0 325.416 2.425 40 0 EEABRN Cc1c[nH]nc1C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000257314674 463775360 /nfs/dbraw/zinc/77/53/60/463775360.db2.gz UXZYKHTYMLKCDW-GFCCVEGCSA-N 0 0 325.459 2.423 40 0 EEABRN COCc1ccc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)cc1 ZINC000257318326 463775505 /nfs/dbraw/zinc/77/55/05/463775505.db2.gz VNKONWLIJHVQQR-KRWDZBQOSA-N 0 0 327.384 2.145 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 ZINC000257318807 463775752 /nfs/dbraw/zinc/77/57/52/463775752.db2.gz VPLWKDNOAAGAPV-HNNXBMFYSA-N 0 0 337.427 2.484 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257323120 463777587 /nfs/dbraw/zinc/77/75/87/463777587.db2.gz WIVQMOJPFHTACD-AWEZNQCLSA-N 0 0 333.413 2.003 40 0 EEABRN c1ccc(NCCCNc2cc(N3CCSCC3)ncn2)nc1 ZINC000277655944 463924122 /nfs/dbraw/zinc/92/41/22/463924122.db2.gz YTUYCBISDXPTOQ-UHFFFAOYSA-N 0 0 330.461 2.339 40 0 EEABRN Cc1cc(C)n(-c2cccc(NC(=O)N(C)Cc3nc[nH]n3)c2)n1 ZINC000186261218 463962971 /nfs/dbraw/zinc/96/29/71/463962971.db2.gz VWPMIWXNKWKHLA-UHFFFAOYSA-N 0 0 325.376 2.271 40 0 EEABRN CCOC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218006484 464108264 /nfs/dbraw/zinc/10/82/64/464108264.db2.gz IEPPZSRCQOOUGP-AAEUAGOBSA-N 0 0 333.862 2.195 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](CO)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218171561 464109174 /nfs/dbraw/zinc/10/91/74/464109174.db2.gz MSIWLWCTKVVSOR-WBAXXEDZSA-N 0 0 346.404 2.272 40 0 EEABRN O=C(c1cnc(C2CC2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000222598642 464131843 /nfs/dbraw/zinc/13/18/43/464131843.db2.gz NEDLNWOTHHRWHU-UHFFFAOYSA-N 0 0 326.375 2.456 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 ZINC000223672692 464145218 /nfs/dbraw/zinc/14/52/18/464145218.db2.gz DIICBDKBVLAFOP-HOTGVXAUSA-N 0 0 344.440 2.254 40 0 EEABRN Cc1cc(C(=O)NCCOc2ccccc2)ccc1NS(C)(=O)=O ZINC000224086402 464148227 /nfs/dbraw/zinc/14/82/27/464148227.db2.gz YJCMUQOEBXGTQS-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN COc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)n1 ZINC000224205501 464150121 /nfs/dbraw/zinc/15/01/21/464150121.db2.gz KIFIDIINCJBDPY-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN CCc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1 ZINC000224219992 464150193 /nfs/dbraw/zinc/15/01/93/464150193.db2.gz NRAKMERHBFYGGT-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000225206659 464154686 /nfs/dbraw/zinc/15/46/86/464154686.db2.gz MHJNRDOFDXDVRZ-OAHLLOKOSA-N 0 0 340.423 2.401 40 0 EEABRN CC(C)CCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225379930 464156551 /nfs/dbraw/zinc/15/65/51/464156551.db2.gz FFYKISKIUJPEQZ-UHFFFAOYSA-N 0 0 329.491 2.415 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NCCCc2cccc(C)c2)c1 ZINC000225410004 464158488 /nfs/dbraw/zinc/15/84/88/464158488.db2.gz TYQQQQRZNYTJCV-UHFFFAOYSA-N 0 0 346.452 2.266 40 0 EEABRN CN(C)c1ccc(O[C@@H]2CCN(C(=O)CC3CCCCC3)C2)nn1 ZINC000225444047 464161545 /nfs/dbraw/zinc/16/15/45/464161545.db2.gz KIPLVJNJQKICOL-OAHLLOKOSA-N 0 0 332.448 2.493 40 0 EEABRN COc1cncc(O[C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000225497509 464166321 /nfs/dbraw/zinc/16/63/21/464166321.db2.gz QFHPBNMESVOQAH-INIZCTEOSA-N 0 0 341.411 2.488 40 0 EEABRN COCCN(C[C@H]1CC=CCC1)c1cc(N2CCOCC2)ncn1 ZINC000225492170 464166891 /nfs/dbraw/zinc/16/68/91/464166891.db2.gz WGDOSDBVUXSULY-INIZCTEOSA-N 0 0 332.448 2.122 40 0 EEABRN CC[C@H](CO)NC(=O)c1scc(C)c1I ZINC000225545404 464170427 /nfs/dbraw/zinc/17/04/27/464170427.db2.gz MDCIXGCVWLDKKX-SSDOTTSWSA-N 0 0 339.198 2.162 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000225556885 464170919 /nfs/dbraw/zinc/17/09/19/464170919.db2.gz URXUJPZAGHJZSU-LLVKDONJSA-N 0 0 349.797 2.250 40 0 EEABRN NC(=O)c1cc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n[nH]1 ZINC000225559636 464171977 /nfs/dbraw/zinc/17/19/77/464171977.db2.gz NVSQNMPTQILRMW-UHFFFAOYSA-N 0 0 346.818 2.111 40 0 EEABRN C[C@@H]1CCc2ccccc2N1C(=O)CCNC(=O)c1cccc(=O)[nH]1 ZINC000241287472 464452272 /nfs/dbraw/zinc/45/22/72/464452272.db2.gz LLTCWXLHGQEBCY-CYBMUJFWSA-N 0 0 339.395 2.275 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242649251 464458614 /nfs/dbraw/zinc/45/86/14/464458614.db2.gz RYJHHJVKVKUJRY-KSZLIROESA-N 0 0 349.427 2.499 40 0 EEABRN O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](n2nccn2)C1 ZINC000244986165 464466961 /nfs/dbraw/zinc/46/69/61/464466961.db2.gz JIVXENLEGXWXMZ-LLVKDONJSA-N 0 0 341.198 2.437 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C12CCCC2 ZINC000245281332 464469479 /nfs/dbraw/zinc/46/94/79/464469479.db2.gz ARTSAVAGFRLPLE-GVDBMIGSSA-N 0 0 348.487 2.489 40 0 EEABRN CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@@H](OC)C2)cc1 ZINC000247889992 464713000 /nfs/dbraw/zinc/71/30/00/464713000.db2.gz SWPAUVIVMAYABC-SFHVURJKSA-N 0 0 343.427 2.272 40 0 EEABRN COc1ccc(CN2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)cc1 ZINC000247916627 464713783 /nfs/dbraw/zinc/71/37/83/464713783.db2.gz WHPGJTPKLSOUNA-KRWDZBQOSA-N 0 0 341.411 2.298 40 0 EEABRN Cc1ncsc1CN1CCn2cc(C(=O)NC3CC3)nc2[C@@H]1C ZINC000248007621 464722858 /nfs/dbraw/zinc/72/28/58/464722858.db2.gz FHCHRRVMDFRUCF-NSHDSACASA-N 0 0 331.445 2.117 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)s1 ZINC000248054872 464726916 /nfs/dbraw/zinc/72/69/16/464726916.db2.gz YEPSLFLMYMPOSI-CYBMUJFWSA-N 0 0 341.502 2.354 40 0 EEABRN Cc1ccc(CN2C[C@@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)o1 ZINC000248084060 464727472 /nfs/dbraw/zinc/72/74/72/464727472.db2.gz AVYGILLNYOFHGN-JFIYKMOQSA-N 0 0 343.427 2.088 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](Oc2ccccn2)CS3)n(C)n1 ZINC000248075620 464728278 /nfs/dbraw/zinc/72/82/78/464728278.db2.gz YVCGCQYCMPGMPG-HNNXBMFYSA-N 0 0 330.457 2.262 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@@H](COc2ccccn2)CCN3C)s1 ZINC000248126554 464731799 /nfs/dbraw/zinc/73/17/99/464731799.db2.gz LVFAHWLQXLNXJB-AWEZNQCLSA-N 0 0 345.472 2.221 40 0 EEABRN O=C(NCC(F)(F)C(F)F)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000192016390 464849888 /nfs/dbraw/zinc/84/98/88/464849888.db2.gz OBKYSWFBFIGMKM-VIFPVBQESA-N 0 0 342.358 2.095 40 0 EEABRN CCc1c(NC(=O)[C@H]2CN(C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131292 464872268 /nfs/dbraw/zinc/87/22/68/464872268.db2.gz YHOZFFCCHXTQHD-MRXNPFEDSA-N 0 0 348.834 2.357 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)NC1CCN(c2nccs2)CC1 ZINC000252491927 464966300 /nfs/dbraw/zinc/96/63/00/464966300.db2.gz LZRJJBZLZYCRJN-NSHDSACASA-N 0 0 348.476 2.214 40 0 EEABRN O=S(=O)(c1cccc(NCCCCCF)c1)N1CCC(O)CC1 ZINC000252496060 464969237 /nfs/dbraw/zinc/96/92/37/464969237.db2.gz PELGJFKOHRLWAN-UHFFFAOYSA-N 0 0 344.452 2.384 40 0 EEABRN O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000252498911 464971163 /nfs/dbraw/zinc/97/11/63/464971163.db2.gz RQBIOQPEAYACIH-HZPDHXFCSA-N 0 0 341.415 2.120 40 0 EEABRN C[C@@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)c1cc(F)c(F)c(F)c1 ZINC000252586402 464984120 /nfs/dbraw/zinc/98/41/20/464984120.db2.gz PRNNPQPSJKJTHY-UMNHJUIQSA-N 0 0 346.349 2.346 40 0 EEABRN C[C@H](CC(F)(F)F)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000252586151 464984305 /nfs/dbraw/zinc/98/43/05/464984305.db2.gz NVAGKHQDGJOAEE-IJLUTSLNSA-N 0 0 348.369 2.272 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN(c3nccc(C(C)C)n3)CC2)n1 ZINC000192787210 464997506 /nfs/dbraw/zinc/99/75/06/464997506.db2.gz SHGYWVCSCIKAMM-AWEZNQCLSA-N 0 0 342.447 2.287 40 0 EEABRN COC(=O)[C@H](c1ccsc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000253396391 465000179 /nfs/dbraw/zinc/00/01/79/465000179.db2.gz BJPRTZVZIAVYKD-HOTGVXAUSA-N 0 0 338.473 2.149 40 0 EEABRN Cn1cnnc1[C@H]1CCCN1C(=O)NCCc1cccc2[nH]ccc21 ZINC000253397862 465002056 /nfs/dbraw/zinc/00/20/56/465002056.db2.gz DNZKUZZTMSSDEG-MRXNPFEDSA-N 0 0 338.415 2.386 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000253419093 465007860 /nfs/dbraw/zinc/00/78/60/465007860.db2.gz FPRYFCRTKLXUGW-NSHDSACASA-N 0 0 329.356 2.283 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1C(=O)N1CCC=C(F)C1 ZINC000253426020 465010445 /nfs/dbraw/zinc/01/04/45/465010445.db2.gz ALCYZKOHBFRBEK-AWEZNQCLSA-N 0 0 346.358 2.106 40 0 EEABRN COc1ccc([C@H]2CCCN2C(=O)Cn2ccsc2=O)c(OC)c1 ZINC000253428523 465012307 /nfs/dbraw/zinc/01/23/07/465012307.db2.gz LEDOZELHCQGPRB-CQSZACIVSA-N 0 0 348.424 2.291 40 0 EEABRN CC(C)(C)c1nnc(CNC(=O)N2CCC[C@H]2Cn2ccnc2)s1 ZINC000253431915 465014320 /nfs/dbraw/zinc/01/43/20/465014320.db2.gz VINGDECFYAKSQG-LBPRGKRZSA-N 0 0 348.476 2.406 40 0 EEABRN COc1ccc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1F ZINC000253471278 465015270 /nfs/dbraw/zinc/01/52/70/465015270.db2.gz BRJGRILQXJSOEI-ZDUSSCGKSA-N 0 0 330.363 2.390 40 0 EEABRN Cc1cc(C(=O)N2CCN(C(=O)c3csc(C)c3C)[C@H](C)C2)[nH]n1 ZINC000332088086 466381550 /nfs/dbraw/zinc/38/15/50/466381550.db2.gz JCLKEOCHVIQYNB-LLVKDONJSA-N 0 0 346.456 2.383 40 0 EEABRN Cc1cc(NCc2ncn(-c3ccccc3)n2)nc(-c2cccnc2)n1 ZINC000338823990 466405791 /nfs/dbraw/zinc/40/57/91/466405791.db2.gz IAAGYSUABHMBDH-UHFFFAOYSA-N 0 0 343.394 3.040 40 0 EEABRN C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1Cc1ccoc1 ZINC000306139689 466493263 /nfs/dbraw/zinc/49/32/63/466493263.db2.gz TXRROBWXGBIJOE-NSHDSACASA-N 0 0 336.342 2.144 40 0 EEABRN CCOCCCNC(=O)c1nc([C@H]2CCCN2C)n2ccccc12 ZINC000306143674 466494500 /nfs/dbraw/zinc/49/45/00/466494500.db2.gz YINFLUJNJHIROH-OAHLLOKOSA-N 0 0 330.432 2.257 40 0 EEABRN COC(=O)Cn1cc(/C=C2/SC(=O)N(C)C2=O)c2ccccc21 ZINC000408785155 466683454 /nfs/dbraw/zinc/68/34/54/466683454.db2.gz YFBNBVVKMPGAKW-NTUHNPAUSA-N 0 0 330.365 2.480 40 0 EEABRN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(OC)cc2)N1 ZINC000409356492 466686642 /nfs/dbraw/zinc/68/66/42/466686642.db2.gz HCDAYBXNRRPOKX-AWEZNQCLSA-N 0 0 346.305 2.323 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)COCc3ccccc3)C2)n1 ZINC000390828911 467412693 /nfs/dbraw/zinc/41/26/93/467412693.db2.gz VINSMOVYQDHEHF-KRWDZBQOSA-N 0 0 341.411 2.290 40 0 EEABRN Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000408342190 467546239 /nfs/dbraw/zinc/54/62/39/467546239.db2.gz JQXORIIXOVUUMG-STQMWFEESA-N 0 0 331.441 2.162 40 0 EEABRN CSCC(=O)N1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000575402845 468140675 /nfs/dbraw/zinc/14/06/75/468140675.db2.gz DGVOFNHJFYZZOQ-JTQLQIEISA-N 0 0 328.434 2.049 40 0 EEABRN O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575413842 468142465 /nfs/dbraw/zinc/14/24/65/468142465.db2.gz CYLWGOGAROZQES-CQSZACIVSA-N 0 0 340.358 2.319 40 0 EEABRN CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000575405880 468142622 /nfs/dbraw/zinc/14/26/22/468142622.db2.gz URDHTJSXZQLLHY-OAHLLOKOSA-N 0 0 346.456 2.335 40 0 EEABRN O=C(c1ccncc1F)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000575609053 468147644 /nfs/dbraw/zinc/14/76/44/468147644.db2.gz XZACXDJAYRHHIZ-MRXNPFEDSA-N 0 0 348.399 2.223 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)c2ccc(F)cc2C)C1 ZINC000585099205 468967287 /nfs/dbraw/zinc/96/72/87/468967287.db2.gz VCXFWHUDMLOFCE-AWEZNQCLSA-N 0 0 343.402 2.344 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](OCC2CCOCC2)CS3)no1 ZINC000585104094 468971613 /nfs/dbraw/zinc/97/16/13/468971613.db2.gz FXKYIFSAPIJNKO-INIZCTEOSA-N 0 0 338.473 2.486 40 0 EEABRN O=C(c1ccccc1)N1CCC2(CO[C@H](CN3CCOCC3)C2)CC1 ZINC000585104894 468972233 /nfs/dbraw/zinc/97/22/33/468972233.db2.gz WFFDIFKAVQYUMP-SFHVURJKSA-N 0 0 344.455 2.030 40 0 EEABRN O=C(c1ccnc(F)c1)N1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000585110491 468973907 /nfs/dbraw/zinc/97/39/07/468973907.db2.gz KXMGDLVKFZRPOJ-UHFFFAOYSA-N 0 0 349.369 2.314 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112264 468974510 /nfs/dbraw/zinc/97/45/10/468974510.db2.gz MDFSSEOHPUWBBZ-OAHLLOKOSA-N 0 0 330.457 2.418 40 0 EEABRN CCOC(=O)c1cnc(N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)nc1C ZINC000585141716 468991740 /nfs/dbraw/zinc/99/17/40/468991740.db2.gz FKZWEUAAYSNYTE-HIFRSBDPSA-N 0 0 345.403 2.027 40 0 EEABRN COc1ccnc(NC2CCN(c3ncnc4c3CCCC4)CC2)n1 ZINC000585149527 468994708 /nfs/dbraw/zinc/99/47/08/468994708.db2.gz ZMOGVMIZOBPEHV-UHFFFAOYSA-N 0 0 340.431 2.235 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cnc(C)nc3)C2)cc1 ZINC000585269446 468997323 /nfs/dbraw/zinc/99/73/23/468997323.db2.gz UWJVGQCMRHAMOJ-LJQANCHMSA-N 0 0 327.428 2.499 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2cc(C)cn2)CC[C@@H]1Cc1ccccc1 ZINC000585280170 469006241 /nfs/dbraw/zinc/00/62/41/469006241.db2.gz ZAWBSGHWZWLSEU-MSOLQXFVSA-N 0 0 327.428 2.298 40 0 EEABRN O=C(CCNC(=O)c1ccco1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186895067 534428779 /nfs/dbraw/zinc/42/87/79/534428779.db2.gz BCOGXDGRLKZIHO-IBGZPJMESA-N 0 0 340.379 2.058 40 0 EEABRN Cc1cnccc1CCNC(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000096484582 526226718 /nfs/dbraw/zinc/22/67/18/526226718.db2.gz QENMOYYUYLRECT-UHFFFAOYSA-N 0 0 342.428 2.279 40 0 EEABRN CC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000408708532 528197126 /nfs/dbraw/zinc/19/71/26/528197126.db2.gz JOGHRKBDESLBGB-UHFFFAOYSA-N 0 0 343.427 2.212 40 0 EEABRN CCCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000113934503 528504575 /nfs/dbraw/zinc/50/45/75/528504575.db2.gz DJGNRYADNHUGEU-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN CCC[C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947498 535643332 /nfs/dbraw/zinc/64/33/32/535643332.db2.gz WAXNSNMVENAWNK-SMDDNHRTSA-N 0 0 330.425 2.111 40 0 EEABRN CCc1nnsc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257264839 535868434 /nfs/dbraw/zinc/86/84/34/535868434.db2.gz LWEVBPXPZANMPB-MRXNPFEDSA-N 0 0 347.444 2.236 40 0 EEABRN O=C1NCC2(CCN(c3ncnc4[nH]ccc43)CC2)Oc2ccccc21 ZINC000895579621 684653276 /nfs/dbraw/zinc/65/32/76/684653276.db2.gz BEIZLUPZPNKYCM-UHFFFAOYSA-N 0 0 349.394 2.119 40 0 EEABRN Cn1cc(NC(=O)N2CCOC[C@@H]2CC2CC2)c(C(F)(F)F)n1 ZINC000930813546 1206585234 /nfs/dbraw/zinc/58/52/34/1206585234.db2.gz IAJGMZBVGVQFNJ-JTQLQIEISA-N 0 0 332.326 2.472 40 0 EEABRN Cn1cc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)nn1 ZINC000931509718 1207401401 /nfs/dbraw/zinc/40/14/01/1207401401.db2.gz SHAAWSWPMDOFAW-JTQLQIEISA-N 0 0 332.433 2.172 40 0 EEABRN COc1ccc([C@@H]2COS(=O)(=O)N2C(=O)OC(C)(C)C)cc1 ZINC001542984411 1124118936 /nfs/dbraw/zinc/11/89/36/1124118936.db2.gz NSWXTPQJEHDDPF-LBPRGKRZSA-N 0 0 329.374 2.248 40 0 EEABRN C[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC001548448248 1124291185 /nfs/dbraw/zinc/29/11/85/1124291185.db2.gz WPVACIPRSXZPAC-FOGDFJRCSA-N 0 0 347.337 2.491 40 0 EEABRN O=C(NC1CC1)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000056005959 214352917 /nfs/dbraw/zinc/35/29/17/214352917.db2.gz BIPRTMJWTITTET-UHFFFAOYSA-N 0 0 330.403 2.375 40 0 EEABRN CC[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccs1 ZINC000096460893 529566596 /nfs/dbraw/zinc/56/65/96/529566596.db2.gz MCQRPAIGJACZOA-NSHDSACASA-N 0 0 342.442 2.271 40 0 EEABRN Cc1nn2c(ncc3c2ccn(C(N)=S)c3=O)c1-c1ccccc1 ZINC000040396326 282309060 /nfs/dbraw/zinc/30/90/60/282309060.db2.gz WEPMIPCVRIPBDZ-UHFFFAOYSA-N 0 0 335.392 2.111 40 0 EEABRN Cc1cc(Br)c2c(c1)C(=O)[C@](CN(C)C)(N(C)C)CO2 ZINC000019203073 301069163 /nfs/dbraw/zinc/06/91/63/301069163.db2.gz OANMGTCMXVFIDH-OAHLLOKOSA-N 0 0 341.249 2.195 40 0 EEABRN CN(CCC(=O)NC(N)=O)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000096467150 282398692 /nfs/dbraw/zinc/39/86/92/282398692.db2.gz RZFQKSGNJLROMM-NSHDSACASA-N 0 0 337.729 2.460 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccc2c(c1)OCCO2 ZINC000012141887 201828828 /nfs/dbraw/zinc/82/88/28/201828828.db2.gz ONVMVZKBNWITTI-LBPRGKRZSA-N 0 0 338.367 2.021 40 0 EEABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013673554 201908933 /nfs/dbraw/zinc/90/89/33/201908933.db2.gz JPIZZQJZOHFPFK-UHFFFAOYSA-N 0 0 348.399 2.279 40 0 EEABRN O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@H]1Cn1ccnc1 ZINC000274913499 539703131 /nfs/dbraw/zinc/70/31/31/539703131.db2.gz YGMPSFODIWYXAY-LBPRGKRZSA-N 0 0 348.453 2.346 40 0 EEABRN Cn1nc(C(=O)Nc2nnc(CC3CCCCC3)s2)ccc1=O ZINC000103421170 219297680 /nfs/dbraw/zinc/29/76/80/219297680.db2.gz RKYKDPJLFJGQFR-UHFFFAOYSA-N 0 0 333.417 2.007 40 0 EEABRN Cn1ccnc1[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)C1CC1 ZINC000585123240 539980663 /nfs/dbraw/zinc/98/06/63/539980663.db2.gz KVDIOIZDDCWMBO-OAGGEKHMSA-N 0 0 341.415 2.096 40 0 EEABRN Cc1cnc(-c2nnc(C3CCN(C(=O)C4CCC4)CC3)o2)cn1 ZINC000019239212 202001834 /nfs/dbraw/zinc/00/18/34/202001834.db2.gz PJBBLMPNNNVXFS-UHFFFAOYSA-N 0 0 327.388 2.341 40 0 EEABRN Cc1ncc(-c2ccccn2)c(CCNC(=O)c2cscn2)n1 ZINC000019286954 202002964 /nfs/dbraw/zinc/00/29/64/202002964.db2.gz RNIITODDSSLYSR-UHFFFAOYSA-N 0 0 325.397 2.276 40 0 EEABRN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(NCc2cccnc2)n1 ZINC000019457534 202008953 /nfs/dbraw/zinc/00/89/53/202008953.db2.gz VPNSNKGBJJFWIB-LLVKDONJSA-N 0 0 344.806 2.431 40 0 EEABRN CCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000019522487 202009816 /nfs/dbraw/zinc/00/98/16/202009816.db2.gz YFEUAOXKKIXKPF-LBPRGKRZSA-N 0 0 329.375 2.491 40 0 EEABRN Fc1cnc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)nc1 ZINC000096074863 283033444 /nfs/dbraw/zinc/03/34/44/283033444.db2.gz JPKVNXLTZCTLHD-LJQANCHMSA-N 0 0 342.418 2.487 40 0 EEABRN Cn1ccnc(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1=O ZINC000183795244 235228932 /nfs/dbraw/zinc/22/89/32/235228932.db2.gz DQAMUMOPYQBKPB-NSHDSACASA-N 0 0 348.790 2.119 40 0 EEABRN Cn1cccc1[C@H](CNC(=O)Nc1cccs1)N1CCOCC1 ZINC000038676001 202145443 /nfs/dbraw/zinc/14/54/43/202145443.db2.gz QGPUQIXGPIIJLP-AWEZNQCLSA-N 0 0 334.445 2.282 40 0 EEABRN CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000040160554 202184610 /nfs/dbraw/zinc/18/46/10/202184610.db2.gz XQDXYHFMTUTSCF-PMGBHYCQSA-N 0 0 345.395 2.273 40 0 EEABRN COc1ccc(S(=O)(=O)NC2CCCC2)cc1N1CCCC1=O ZINC000030753335 202198478 /nfs/dbraw/zinc/19/84/78/202198478.db2.gz KUGQYABJLNLGPJ-UHFFFAOYSA-N 0 0 338.429 2.043 40 0 EEABRN C[C@H](C[S@](C)=O)NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000189904161 237384005 /nfs/dbraw/zinc/38/40/05/237384005.db2.gz ZQGHOJQJUCZUQW-ULQSSITMSA-N 0 0 328.400 2.373 40 0 EEABRN Cc1ccccc1[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000069921561 202297369 /nfs/dbraw/zinc/29/73/69/202297369.db2.gz ODZDRLJPHRDWIG-ZBFHGGJFSA-N 0 0 338.473 2.426 40 0 EEABRN O=C1[C@@H](N2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000072957339 202368259 /nfs/dbraw/zinc/36/82/59/202368259.db2.gz QAVKHNWBDYBJOQ-AWEZNQCLSA-N 0 0 344.333 2.147 40 0 EEABRN Cc1nc(SCC(=O)NCc2ccccc2N2CCCC2)n[nH]1 ZINC000073018570 202368624 /nfs/dbraw/zinc/36/86/24/202368624.db2.gz KCAPFFZBCDLRNY-UHFFFAOYSA-N 0 0 331.445 2.122 40 0 EEABRN CCOc1cc(C(=O)NCCCn2ccnc2)nn1-c1ccccc1 ZINC000072264724 202358907 /nfs/dbraw/zinc/35/89/07/202358907.db2.gz SSPMBZMCXHZBRO-UHFFFAOYSA-N 0 0 339.399 2.288 40 0 EEABRN O=c1c2cnc(N3CCC(O)CC3)[nH]c-2cn1C1CCCCCC1 ZINC000072260032 202359000 /nfs/dbraw/zinc/35/90/00/202359000.db2.gz UKKQGCDLERKFHN-UHFFFAOYSA-N 0 0 330.432 2.116 40 0 EEABRN CCn1cc(S(=O)(=O)NCCc2nc3ccccc3s2)cn1 ZINC000074823578 202373988 /nfs/dbraw/zinc/37/39/88/202373988.db2.gz PVSLEZHOGKDJDA-UHFFFAOYSA-N 0 0 336.442 2.034 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3ccccn3)CC2)s1 ZINC000075968549 202380124 /nfs/dbraw/zinc/38/01/24/202380124.db2.gz HVMMXTQWIHMYBM-UHFFFAOYSA-N 0 0 332.429 2.037 40 0 EEABRN COC(=O)N1CCC[C@@H](C(=O)NCCc2cccc3cccnc32)C1 ZINC000078498423 202396200 /nfs/dbraw/zinc/39/62/00/202396200.db2.gz FTXGHKOFJCDQAP-MRXNPFEDSA-N 0 0 341.411 2.372 40 0 EEABRN COc1ccsc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000078556971 202397324 /nfs/dbraw/zinc/39/73/24/202397324.db2.gz DINPWDARGVZQCC-VXGBXAGGSA-N 0 0 326.462 2.374 40 0 EEABRN CC[C@@H](NC(=O)NCc1nnnn1C1CC1)c1cc(F)ccc1F ZINC000076207783 202386746 /nfs/dbraw/zinc/38/67/46/202386746.db2.gz FDWZXQGZIBIUOK-CYBMUJFWSA-N 0 0 336.346 2.237 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)N1CCCS1(=O)=O ZINC000076823090 202388472 /nfs/dbraw/zinc/38/84/72/202388472.db2.gz WZEJFWNREJABEU-UHFFFAOYSA-N 0 0 335.223 2.007 40 0 EEABRN Cc1nc2ncnn2c(NCCc2csc(N3CCCC3)n2)c1C ZINC000078340503 202389757 /nfs/dbraw/zinc/38/97/57/202389757.db2.gz WZJWGDICVUOCBL-UHFFFAOYSA-N 0 0 343.460 2.452 40 0 EEABRN C[C@H](Oc1ccccc1Br)C(=O)NCc1ccnn1C ZINC000078998776 202415072 /nfs/dbraw/zinc/41/50/72/202415072.db2.gz MAIMPUCKSQOIKW-JTQLQIEISA-N 0 0 338.205 2.266 40 0 EEABRN O=C(NCCn1cc(Br)cn1)c1ccc(F)c(F)c1 ZINC000028246492 212610763 /nfs/dbraw/zinc/61/07/63/212610763.db2.gz XXEHDVSOAYQEOP-UHFFFAOYSA-N 0 0 330.132 2.354 40 0 EEABRN CCOC(=O)[C@H](C)N(C(=O)c1ccc(Br)cn1)C1CC1 ZINC000189396151 201047637 /nfs/dbraw/zinc/04/76/37/201047637.db2.gz LEVQIMGEIQMCBF-VIFPVBQESA-N 0 0 341.205 2.400 40 0 EEABRN Cc1cc(NC(=O)N(C)Cc2nc[nH]n2)nn1-c1ccc(C)cc1 ZINC000187717254 201044355 /nfs/dbraw/zinc/04/43/55/201044355.db2.gz FDNPHCPUJDKYAD-UHFFFAOYSA-N 0 0 325.376 2.271 40 0 EEABRN CCCc1nc2ccccc2c(SCC(=O)NCC(=O)OCC)n1 ZINC000004936431 201056436 /nfs/dbraw/zinc/05/64/36/201056436.db2.gz GFMSVHFNKHEDKK-UHFFFAOYSA-N 0 0 347.440 2.354 40 0 EEABRN O=C(Cc1ccccc1-c1nn2cnnc2s1)N1CCCCC1 ZINC000041126842 201089585 /nfs/dbraw/zinc/08/95/85/201089585.db2.gz BGUAGICYMSANAC-UHFFFAOYSA-N 0 0 327.413 2.408 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000245237545 201152917 /nfs/dbraw/zinc/15/29/17/201152917.db2.gz MSAUTVZZQYTUIZ-WBMJQRKESA-N 0 0 347.415 2.183 40 0 EEABRN COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000084777930 202568326 /nfs/dbraw/zinc/56/83/26/202568326.db2.gz IPHDIXNCGSDFFN-AAEUAGOBSA-N 0 0 343.374 2.286 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000195277641 240906101 /nfs/dbraw/zinc/90/61/01/240906101.db2.gz COODIFSMHKQPSZ-JSGCOSHPSA-N 0 0 343.420 2.085 40 0 EEABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000195538972 240992693 /nfs/dbraw/zinc/99/26/93/240992693.db2.gz BVNTXMUNGXWYTF-SAXRGWBVSA-N 0 0 344.440 2.096 40 0 EEABRN CCc1nnc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567075 241014602 /nfs/dbraw/zinc/01/46/02/241014602.db2.gz VFPGWJAIHCZVTM-QGZVFWFLSA-N 0 0 335.452 2.200 40 0 EEABRN CCS(=O)(=O)c1ccccc1NCC(C)(C)N1CCOCC1 ZINC000195576056 241023074 /nfs/dbraw/zinc/02/30/74/241023074.db2.gz NSZUVTANWIHTMP-UHFFFAOYSA-N 0 0 326.462 2.003 40 0 EEABRN O=C(c1c[nH]c(=O)[nH]1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219325414 241379504 /nfs/dbraw/zinc/37/95/04/241379504.db2.gz BDYGBAJQACPNBX-CYBMUJFWSA-N 0 0 339.367 2.302 40 0 EEABRN CNC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 ZINC000223864807 241700296 /nfs/dbraw/zinc/70/02/96/241700296.db2.gz VHYVYOKUEZGBED-UHFFFAOYSA-N 0 0 327.457 2.324 40 0 EEABRN Cc1ccc(Cn2nccc2NC(=O)COCc2ccnn2C)cc1 ZINC000225810319 242048099 /nfs/dbraw/zinc/04/80/99/242048099.db2.gz SXUYEDHPMKTLRQ-UHFFFAOYSA-N 0 0 339.399 2.129 40 0 EEABRN CCc1occc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000242324448 243016584 /nfs/dbraw/zinc/01/65/84/243016584.db2.gz ZBJIWWKUUYKVBG-UHFFFAOYSA-N 0 0 341.411 2.406 40 0 EEABRN COC[C@H](O)CNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000252489725 243793067 /nfs/dbraw/zinc/79/30/67/243793067.db2.gz JYPCQYJLGHHUIX-UFGOTCBOSA-N 0 0 347.242 2.403 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)NCCc2cnc(C3CC3)nc2)no1 ZINC000253413925 243928913 /nfs/dbraw/zinc/92/89/13/243928913.db2.gz RKYZEAROEHZGBJ-AWEZNQCLSA-N 0 0 342.403 2.135 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)CCCO1 ZINC000253430821 243982896 /nfs/dbraw/zinc/98/28/96/243982896.db2.gz MAEFDYAWEHCJIN-LLVKDONJSA-N 0 0 347.337 2.343 40 0 EEABRN CCc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCSC3)C2)ncn1 ZINC000253430737 243983480 /nfs/dbraw/zinc/98/34/80/243983480.db2.gz XOOHRKYPEVVVRX-UKRRQHHQSA-N 0 0 349.504 2.060 40 0 EEABRN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2)[C@H]1O ZINC000257206420 244136077 /nfs/dbraw/zinc/13/60/77/244136077.db2.gz BDHOFZFJQJTLER-ZHALLVOQSA-N 0 0 327.428 2.395 40 0 EEABRN Cc1nnc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000040464646 203157452 /nfs/dbraw/zinc/15/74/52/203157452.db2.gz QRPXLXBLVQAQNA-UHFFFAOYSA-N 0 0 326.422 2.432 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000257223213 244192943 /nfs/dbraw/zinc/19/29/43/244192943.db2.gz DWKDYUSXLJNFMV-GFCCVEGCSA-N 0 0 325.459 2.254 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257224093 244195127 /nfs/dbraw/zinc/19/51/27/244195127.db2.gz FAGSYBAOWRWYFX-INIZCTEOSA-N 0 0 327.432 2.406 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257230016 244211613 /nfs/dbraw/zinc/21/16/13/244211613.db2.gz GAKBPXQCBSJGKF-MRXNPFEDSA-N 0 0 327.432 2.394 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1ccnc(Nc2ccc(C)cn2)n1 ZINC000072377800 203208960 /nfs/dbraw/zinc/20/89/60/203208960.db2.gz LMKPNYGQDKYJGF-CQSZACIVSA-N 0 0 327.388 2.234 40 0 EEABRN Cc1cccnc1C(=O)N1CCC[C@@H](Cc2ccc(N(C)C)nn2)C1 ZINC000072369253 203209191 /nfs/dbraw/zinc/20/91/91/203209191.db2.gz AEJLAZXPTAYLDU-HNNXBMFYSA-N 0 0 339.443 2.341 40 0 EEABRN c1cnc(N2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)nc1 ZINC000072377966 203209340 /nfs/dbraw/zinc/20/93/40/203209340.db2.gz MEWYWRLTNXQRHR-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCN(C(=O)C(C)C)C2)n1 ZINC000072374648 203209418 /nfs/dbraw/zinc/20/94/18/203209418.db2.gz ZXEPTVUFUZAYGX-ZDUSSCGKSA-N 0 0 325.416 2.401 40 0 EEABRN Cc1nc(CN2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387343 203211562 /nfs/dbraw/zinc/21/15/62/203211562.db2.gz ANPVMTVSSZZGQN-OAHLLOKOSA-N 0 0 342.447 2.223 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)c1 ZINC000257244499 244253225 /nfs/dbraw/zinc/25/32/25/244253225.db2.gz ILPIMMLGVUGYIX-CQSZACIVSA-N 0 0 327.384 2.140 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 ZINC000257244895 244254099 /nfs/dbraw/zinc/25/40/99/244254099.db2.gz INGTXRQVRCLYFI-CQSZACIVSA-N 0 0 325.416 2.416 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2Cc2csc(C)n2)n1 ZINC000072387959 203212246 /nfs/dbraw/zinc/21/22/46/203212246.db2.gz GXUHLZMUPMGMFB-MRXNPFEDSA-N 0 0 331.445 2.215 40 0 EEABRN O=C(CN1c2cc(Cl)ccc2C2=NCCCN2C1=O)NC1CC1 ZINC000072335735 203201808 /nfs/dbraw/zinc/20/18/08/203201808.db2.gz RYOABAYJRZXILZ-UHFFFAOYSA-N 0 0 332.791 2.011 40 0 EEABRN C[C@H]1CCCC[C@H]1NC(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335242 203202176 /nfs/dbraw/zinc/20/21/76/203202176.db2.gz RHETYSSGSZYOOH-WCQYABFASA-N 0 0 344.440 2.406 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000257238190 244235299 /nfs/dbraw/zinc/23/52/99/244235299.db2.gz HJYHNBPIQNORGZ-GFCCVEGCSA-N 0 0 338.458 2.130 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3snnc3C(C)C)CCO2)nc(C)n1 ZINC000257238254 244236669 /nfs/dbraw/zinc/23/66/69/244236669.db2.gz HKDWTPKYEDMINH-ZDUSSCGKSA-N 0 0 347.444 2.282 40 0 EEABRN NC(=O)CN1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072361817 203206641 /nfs/dbraw/zinc/20/66/41/203206641.db2.gz WPZLKCCQNAQQOH-UHFFFAOYSA-N 0 0 330.363 2.073 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@@H](Cc2cccc3ncccc23)C1 ZINC000072367668 203207355 /nfs/dbraw/zinc/20/73/55/203207355.db2.gz KIWCUWZRSCMSGW-ZDUSSCGKSA-N 0 0 342.424 2.211 40 0 EEABRN CN(C)c1ncc(C(=O)N2CCC(Cc3ccncc3)CC2)cn1 ZINC000257241192 244244919 /nfs/dbraw/zinc/24/49/19/244244919.db2.gz HXAVCMPSKRZIPA-UHFFFAOYSA-N 0 0 325.416 2.033 40 0 EEABRN C[C@]1(c2ncc(CNC(=O)Cn3cc(Cl)cn3)cn2)CCCCO1 ZINC000257242818 244247040 /nfs/dbraw/zinc/24/70/40/244247040.db2.gz IEHSBSRHIHGQOF-MRXNPFEDSA-N 0 0 349.822 2.059 40 0 EEABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1sc(N)nc1C ZINC000257250962 244268720 /nfs/dbraw/zinc/26/87/20/244268720.db2.gz JOUBFEKXAMTWQL-PFHKOEEOSA-N 0 0 348.472 2.038 40 0 EEABRN Cc1cnc(C(=O)N2C[C@@H]3[C@@H](Cc4cc(C)ncn4)CC[C@@H]3C2)cn1 ZINC000257253980 244276369 /nfs/dbraw/zinc/27/63/69/244276369.db2.gz KBBGQQJDDVFPKZ-BFYDXBDKSA-N 0 0 337.427 2.224 40 0 EEABRN O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1ccc2c(c1)OCO2 ZINC000257255785 244281505 /nfs/dbraw/zinc/28/15/05/244281505.db2.gz KIVQLIXCFCSRGI-CYBMUJFWSA-N 0 0 341.367 2.029 40 0 EEABRN Cc1c(CCC(=O)N2CCC(c3cncc(C)n3)CC2)cnn1C ZINC000257256947 244284698 /nfs/dbraw/zinc/28/46/98/244284698.db2.gz KNMYGBLUCPMDRJ-UHFFFAOYSA-N 0 0 327.432 2.166 40 0 EEABRN O=C(CCc1cccc(F)c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257270095 244372664 /nfs/dbraw/zinc/37/26/64/244372664.db2.gz MSSZSTGLXUROII-QZTJIDSGSA-N 0 0 329.371 2.409 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257270070 244372922 /nfs/dbraw/zinc/37/29/22/244372922.db2.gz MSQXNWAVBYTHRY-QGZVFWFLSA-N 0 0 325.412 2.431 40 0 EEABRN CCN(CC)S(=O)(=O)N1CCC[C@H]1CCc1ccnc(C)c1 ZINC000257271534 244380921 /nfs/dbraw/zinc/38/09/21/244380921.db2.gz MYSFXRCKIQSZRN-INIZCTEOSA-N 0 0 325.478 2.374 40 0 EEABRN CNC(=O)C1(CCCc2cnccn2)CCN(c2ccccn2)CC1 ZINC000257274565 244389130 /nfs/dbraw/zinc/38/91/30/244389130.db2.gz NLPCTONFHCGDJL-UHFFFAOYSA-N 0 0 339.443 2.227 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cs1 ZINC000257276558 244394789 /nfs/dbraw/zinc/39/47/89/244394789.db2.gz NUHANGUGWAFIEU-OAHLLOKOSA-N 0 0 332.429 2.001 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)c4cc(C)on4)CC3)n2n1 ZINC000257279620 244403758 /nfs/dbraw/zinc/40/37/58/244403758.db2.gz OHKQGJGNDOZGMN-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2cc(C)on2)CCN1C(C)=O ZINC000257301812 244467573 /nfs/dbraw/zinc/46/75/73/244467573.db2.gz RZZRJFNBWMQEGM-KRWDZBQOSA-N 0 0 329.400 2.397 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042167 203801650 /nfs/dbraw/zinc/80/16/50/203801650.db2.gz PBRXWAZSCWQIRO-YQQAZPJKSA-N 0 0 328.368 2.263 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccc(F)cc1 ZINC000096045353 203804035 /nfs/dbraw/zinc/80/40/35/203804035.db2.gz SBJUKAFWJNYDQN-INIZCTEOSA-N 0 0 344.390 2.213 40 0 EEABRN Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1ccc(F)cc1)C2 ZINC000096060713 203815940 /nfs/dbraw/zinc/81/59/40/203815940.db2.gz GOAJCLNNTDQVLZ-HNNXBMFYSA-N 0 0 330.407 2.480 40 0 EEABRN O=S(=O)(c1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000096069900 203821592 /nfs/dbraw/zinc/82/15/92/203821592.db2.gz VBNCNDRWMUADRD-IRXDYDNUSA-N 0 0 335.400 2.192 40 0 EEABRN Cc1nc(CN2CC[C@]23CCN(C(=O)c2ccncc2F)C3)cs1 ZINC000096076038 203826268 /nfs/dbraw/zinc/82/62/68/203826268.db2.gz VFLSXMMUDWTUKQ-KRWDZBQOSA-N 0 0 346.431 2.476 40 0 EEABRN CC(C)Nc1ccnc([C@@H]2COCCN2C(=O)COC2CCCC2)n1 ZINC000096215517 203868776 /nfs/dbraw/zinc/86/87/76/203868776.db2.gz XGUYJBGXNLDLRX-HNNXBMFYSA-N 0 0 348.447 2.156 40 0 EEABRN Fc1cccnc1N1CCOC[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096229069 203876413 /nfs/dbraw/zinc/87/64/13/203876413.db2.gz OFMTYLCLMZUONL-INIZCTEOSA-N 0 0 349.435 2.196 40 0 EEABRN Cc1nc(CN2C[C@]3(CCN(c4ncc(F)cn4)C3)CC2=O)cs1 ZINC000096239356 203879994 /nfs/dbraw/zinc/87/99/94/203879994.db2.gz RFDBMCJIVYXSMW-MRXNPFEDSA-N 0 0 347.419 2.010 40 0 EEABRN Cc1csc([C@@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)n1 ZINC000097953903 203976452 /nfs/dbraw/zinc/97/64/52/203976452.db2.gz MOIQEWJQZCHREW-FPMFFAJLSA-N 0 0 330.413 2.234 40 0 EEABRN Cc1c(-c2cccs2)nn2c1[nH]c([C@H]1CC(=O)N(C)C1)cc2=O ZINC000100775801 203997607 /nfs/dbraw/zinc/99/76/07/203997607.db2.gz VEFQMNCCQSSIKM-JTQLQIEISA-N 0 0 328.397 2.418 40 0 EEABRN C[C@@]1(C(=O)NC2CCSCC2)Oc2ccc(Cl)cc2NC1=O ZINC000041549599 204046065 /nfs/dbraw/zinc/04/60/65/204046065.db2.gz CGMCQAARHYCIMJ-HNNXBMFYSA-N 0 0 340.832 2.441 40 0 EEABRN COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000042163128 204064884 /nfs/dbraw/zinc/06/48/84/204064884.db2.gz DIZHFAXKTGFKSU-GFCCVEGCSA-N 0 0 334.397 2.001 40 0 EEABRN CSCC(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 ZINC000108533299 204264903 /nfs/dbraw/zinc/26/49/03/204264903.db2.gz RLZPCBOQBSEIPY-UHFFFAOYSA-N 0 0 347.484 2.176 40 0 EEABRN O=C(CNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000047219397 204335847 /nfs/dbraw/zinc/33/58/47/204335847.db2.gz JZFRAVXWLQLHGP-UHFFFAOYSA-N 0 0 349.749 2.173 40 0 EEABRN CCN(CCNC(=O)CCCCCNC(N)=O)c1ccccc1C ZINC000048342742 204347852 /nfs/dbraw/zinc/34/78/52/204347852.db2.gz FSMAMDGBSXOINV-UHFFFAOYSA-N 0 0 334.464 2.166 40 0 EEABRN CCN(C(=O)N[C@@H](C)c1ccc(F)cc1)[C@H](C)CS(C)(=O)=O ZINC000079035914 217178341 /nfs/dbraw/zinc/17/83/41/217178341.db2.gz CRNBTOLNYLDKAU-NEPJUHHUSA-N 0 0 330.425 2.351 40 0 EEABRN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095398311 218331108 /nfs/dbraw/zinc/33/11/08/218331108.db2.gz HBUGEMSPSCCTSH-ZBEGNZNMSA-N 0 0 335.367 2.048 40 0 EEABRN Cn1cc(C(=O)CSc2nnnn2-c2cccc(Cl)c2)cn1 ZINC000095400406 218334763 /nfs/dbraw/zinc/33/47/63/218334763.db2.gz UOLGYYBIVGHMIW-UHFFFAOYSA-N 0 0 334.792 2.024 40 0 EEABRN CC(C)(CNC(=O)CCS(C)(=O)=O)c1c(F)cccc1Cl ZINC000095404724 218339955 /nfs/dbraw/zinc/33/99/55/218339955.db2.gz GZLYXRJHPVJXLL-UHFFFAOYSA-N 0 0 335.828 2.308 40 0 EEABRN Cc1ccnc([C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)n1 ZINC000095450850 218395383 /nfs/dbraw/zinc/39/53/83/218395383.db2.gz PVMJZVUVVHMUSW-INIZCTEOSA-N 0 0 338.411 2.233 40 0 EEABRN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000012481129 207152218 /nfs/dbraw/zinc/15/22/18/207152218.db2.gz FCIFQXDRMFNRNP-UHFFFAOYSA-N 0 0 344.436 2.270 40 0 EEABRN CN1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529778 207165747 /nfs/dbraw/zinc/16/57/47/207165747.db2.gz OUHQAXMZTIAMDJ-AAEUAGOBSA-N 0 0 329.404 2.039 40 0 biogenic,in-vitro EEABRN CCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013555931 207472306 /nfs/dbraw/zinc/47/23/06/207472306.db2.gz VARZPBKOGQGOQO-UHFFFAOYSA-N 0 0 334.441 2.247 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)c1cncc(Br)c1 ZINC000096418872 218782099 /nfs/dbraw/zinc/78/20/99/218782099.db2.gz UFBLTPQLELXHTQ-LLVKDONJSA-N 0 0 343.221 2.017 40 0 EEABRN COc1ccc(Cc2c(C)nc(N3CCNC(=O)[C@@H]3C)nc2C)cc1 ZINC000096453858 218837267 /nfs/dbraw/zinc/83/72/67/218837267.db2.gz FJMLTKSKGIALFJ-AWEZNQCLSA-N 0 0 340.427 2.018 40 0 EEABRN C[C@@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000096454836 218838696 /nfs/dbraw/zinc/83/86/96/218838696.db2.gz SRKJPEQYPDMJNV-CABZTGNLSA-N 0 0 335.618 2.351 40 0 EEABRN CCc1onc(C)c1NC(=O)C(=O)N[C@@H](c1ccccn1)C(C)C ZINC000096485380 218861455 /nfs/dbraw/zinc/86/14/55/218861455.db2.gz GGJJYPZHMFSHHS-CQSZACIVSA-N 0 0 330.388 2.392 40 0 EEABRN COc1cccc([C@@H](O)C(=O)NCc2ccc(C)cc2N(C)C)c1 ZINC000096487134 218864639 /nfs/dbraw/zinc/86/46/39/218864639.db2.gz CVWMPKSWICVROT-GOSISDBHSA-N 0 0 328.412 2.419 40 0 EEABRN CNc1nnc(CC(=O)N2CCC(OCc3ccccc3)CC2)s1 ZINC000183509093 533092582 /nfs/dbraw/zinc/09/25/82/533092582.db2.gz QMTZUGUXEWJACE-UHFFFAOYSA-N 0 0 346.456 2.330 40 0 EEABRN O=S(=O)(c1ccc(F)cc1Cl)N1CCCC[C@@H]1C1OCCO1 ZINC000060348906 304775223 /nfs/dbraw/zinc/77/52/23/304775223.db2.gz GHMVAIMNBNHDDO-GFCCVEGCSA-N 0 0 349.811 2.395 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000257173030 257998794 /nfs/dbraw/zinc/99/87/94/257998794.db2.gz AUMSXVAHPYLYCF-UHFFFAOYSA-N 0 0 326.400 2.448 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000096446340 533322719 /nfs/dbraw/zinc/32/27/19/533322719.db2.gz XXLIULITFQRNEC-TZMCWYRMSA-N 0 0 343.395 2.152 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2cccc(C)c2)CC1 ZINC000053812757 132189045 /nfs/dbraw/zinc/18/90/45/132189045.db2.gz FXRUVFLAWUYJGN-UHFFFAOYSA-N 0 0 327.432 2.096 40 0 EEABRN CC(C)(C)n1nnnc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000035290640 132389425 /nfs/dbraw/zinc/38/94/25/132389425.db2.gz KBWSABAXPMBOEO-UHFFFAOYSA-N 0 0 334.855 2.404 40 0 EEABRN Cc1ccc(N2CC[C@H](N3CCC4(CC3)OC[C@@H](C)O4)C2=O)cc1 ZINC000096424480 292138104 /nfs/dbraw/zinc/13/81/04/292138104.db2.gz VUGIUMVEZBTXCR-WBVHZDCISA-N 0 0 330.428 2.328 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218041019 286181242 /nfs/dbraw/zinc/18/12/42/286181242.db2.gz PIWJASYTVXHSOK-BZSNNMDCSA-N 0 0 331.437 2.360 40 0 EEABRN CCSC1=NC2=NC(C)=C(C(N)=O)[C@H](c3ccc(Cl)cc3)N2N1 ZINC000000151872 286696964 /nfs/dbraw/zinc/69/69/64/286696964.db2.gz RXMGESYCDNICLK-LBPRGKRZSA-N 0 0 349.847 2.439 40 0 EEABRN C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1cn[nH]c1 ZINC000332763097 160549203 /nfs/dbraw/zinc/54/92/03/160549203.db2.gz UBCIJCWFKRSKSJ-DGCLKSJQSA-N 0 0 332.429 2.343 40 0 EEABRN C[C@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)c2cnn(C)c21 ZINC000278495339 269233981 /nfs/dbraw/zinc/23/39/81/269233981.db2.gz HUMYMPWKNOBPEX-ZDUSSCGKSA-N 0 0 336.395 2.103 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCCc2c[nH]nc21)n1ccc2ccccc2c1=O ZINC000288335928 275047853 /nfs/dbraw/zinc/04/78/53/275047853.db2.gz VOYPOOZYWOZSPT-WBMJQRKESA-N 0 0 336.395 2.479 40 0 EEABRN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cccc(Cl)n1 ZINC000096441378 278113276 /nfs/dbraw/zinc/11/32/76/278113276.db2.gz OOYNVPFMALOGNZ-CYBMUJFWSA-N 0 0 331.869 2.029 40 0 EEABRN CC(C)C[C@@H]1COCCN1C(=O)NC1CCN(CC(F)F)CC1 ZINC000073057569 279033520 /nfs/dbraw/zinc/03/35/20/279033520.db2.gz NQMCJJQIWPPTMI-CQSZACIVSA-N 0 0 333.423 2.172 40 0 EEABRN Cc1nn2c(ncc3c2ccn(N(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040396993 279218275 /nfs/dbraw/zinc/21/82/75/279218275.db2.gz BRTZUEPUQCFLAZ-UHFFFAOYSA-N 0 0 337.358 2.356 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@H]2c2nc(-c3ccccc3)no2)no1 ZINC000225715997 280332154 /nfs/dbraw/zinc/33/21/54/280332154.db2.gz OQCNMJXOLHPCTJ-AWEZNQCLSA-N 0 0 340.339 2.247 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NC2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000096181709 289813928 /nfs/dbraw/zinc/81/39/28/289813928.db2.gz VWDAETNZTAAJTD-IAGOWNOFSA-N 0 0 334.391 2.173 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000298136115 294428975 /nfs/dbraw/zinc/42/89/75/294428975.db2.gz ZWSVMFAOZJSNRH-UHFFFAOYSA-N 0 0 326.396 2.326 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000257249982 295394302 /nfs/dbraw/zinc/39/43/02/295394302.db2.gz JKNGVXOHNRTLIZ-INIZCTEOSA-N 0 0 332.425 2.030 40 0 EEABRN Cc1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(Cl)cc1F ZINC000096472453 301393421 /nfs/dbraw/zinc/39/34/21/301393421.db2.gz CZIOTYQHYNVBFF-UWVGGRQHSA-N 0 0 348.827 2.062 40 0 EEABRN C[C@H](CNC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nncn1C ZINC000329493592 311680670 /nfs/dbraw/zinc/68/06/70/311680670.db2.gz ICJIOAWCUARVQH-CZUORRHYSA-N 0 0 328.416 2.243 40 0 EEABRN CN(C)C(=O)c1cccc(CN2CCOC[C@H]2c2cccn2C)c1 ZINC000097103547 323321125 /nfs/dbraw/zinc/32/11/25/323321125.db2.gz RLTBUMLQDLOYJZ-SFHVURJKSA-N 0 0 327.428 2.300 40 0 EEABRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccncc1Cl ZINC000097104279 323321354 /nfs/dbraw/zinc/32/13/54/323321354.db2.gz FAKWMARRXDFEPY-UHFFFAOYSA-N 0 0 327.775 2.493 40 0 EEABRN O=C(C[C@H]1COCCN1Cc1nc(C2CC2)no1)c1cccs1 ZINC000154453395 323331402 /nfs/dbraw/zinc/33/14/02/323331402.db2.gz CWJMAMZCISDVDC-LBPRGKRZSA-N 0 0 333.413 2.482 40 0 EEABRN Cc1cccc(CNC(=O)N2CCSC[C@H]2c2cnn(C)c2)n1 ZINC000191376781 323473379 /nfs/dbraw/zinc/47/33/79/323473379.db2.gz WUASQKQTBHSUHQ-HNNXBMFYSA-N 0 0 331.445 2.123 40 0 EEABRN C[C@@H]1C[C@@H](C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC(=O)N1 ZINC000195556780 323514743 /nfs/dbraw/zinc/51/47/43/323514743.db2.gz UYQWVAHHVBDNOD-ZIAGYGMSSA-N 0 0 332.444 2.394 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000048902984 462944291 /nfs/dbraw/zinc/94/42/91/462944291.db2.gz VATTYXDFSLYHBU-UHFFFAOYSA-N 0 0 325.217 2.213 40 0 EEABRN C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000251346678 464932920 /nfs/dbraw/zinc/93/29/20/464932920.db2.gz ZQGHOJQJUCZUQW-FDXSBTRWSA-N 0 0 328.400 2.373 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 ZINC000085436606 462547335 /nfs/dbraw/zinc/54/73/35/462547335.db2.gz HRRZNZGGHLPDJQ-GOSISDBHSA-N 0 0 332.444 2.003 40 0 EEABRN Cc1nccn1CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000085436375 462547558 /nfs/dbraw/zinc/54/75/58/462547558.db2.gz LASOUMAUYWKVMM-UHFFFAOYSA-N 0 0 325.459 2.354 40 0 EEABRN O=C(Nc1ccccc1F)[C@@H]1COCC(=O)N1Cc1cccs1 ZINC000085472574 462550562 /nfs/dbraw/zinc/55/05/62/462550562.db2.gz ITBKSLKBOPWJGD-AWEZNQCLSA-N 0 0 334.372 2.253 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000414626 462560182 /nfs/dbraw/zinc/56/01/82/462560182.db2.gz PKIXVHHXRGHFQS-CQSZACIVSA-N 0 0 336.457 2.146 40 0 EEABRN O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cccc(O)c1 ZINC000000415275 462560654 /nfs/dbraw/zinc/56/06/54/462560654.db2.gz OKLURIDJURZTOM-UHFFFAOYSA-N 0 0 345.359 2.238 40 0 EEABRN Cc1c(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cnn1-c1ccccc1 ZINC000086062496 462564909 /nfs/dbraw/zinc/56/49/09/462564909.db2.gz ZGPDCQAFMQALKB-AWEZNQCLSA-N 0 0 339.395 2.348 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)CNc1ccc(C(=O)N(C)C)c(C)c1 ZINC000086210418 462567877 /nfs/dbraw/zinc/56/78/77/462567877.db2.gz DLMUSVXUOHLJHW-UHFFFAOYSA-N 0 0 343.431 2.098 40 0 EEABRN C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC ZINC000045338213 462577261 /nfs/dbraw/zinc/57/72/61/462577261.db2.gz BDXYPHKGNUGUFG-VETGLWQVSA-N 0 0 338.407 2.246 40 0 EEABRN Cc1ccccc1N(CCCC(=O)NCC(C)C)S(C)(=O)=O ZINC000113967067 462618373 /nfs/dbraw/zinc/61/83/73/462618373.db2.gz TUYRPTVDXALIKF-UHFFFAOYSA-N 0 0 326.462 2.313 40 0 EEABRN COCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000003957265 462626439 /nfs/dbraw/zinc/62/64/39/462626439.db2.gz ZSWXTNGZQGBTQX-HDMKZQKVSA-N 0 0 327.465 2.387 40 0 EEABRN O=C(c1cnns1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000089369834 462671359 /nfs/dbraw/zinc/67/13/59/462671359.db2.gz KTISLQOWNWBQIH-LLVKDONJSA-N 0 0 341.339 2.353 40 0 EEABRN CCCCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006648439 462694706 /nfs/dbraw/zinc/69/47/06/462694706.db2.gz YABATHLFLIUQDD-UHFFFAOYSA-N 0 0 339.244 2.188 40 0 EEABRN COCCCNC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000006966753 462713831 /nfs/dbraw/zinc/71/38/31/462713831.db2.gz DXRPAWDGXAUAJV-UHFFFAOYSA-N 0 0 348.472 2.437 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ccco2)cc1-c1noc(C)n1 ZINC000064789582 462720245 /nfs/dbraw/zinc/72/02/45/462720245.db2.gz BEOVWFNWCJDNPW-UHFFFAOYSA-N 0 0 349.368 2.125 40 0 EEABRN Cc1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000047080730 462741988 /nfs/dbraw/zinc/74/19/88/462741988.db2.gz MUPKFWHKHYYRPK-UHFFFAOYSA-N 0 0 332.425 2.321 40 0 EEABRN Cc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000008372512 462781553 /nfs/dbraw/zinc/78/15/53/462781553.db2.gz NWYWYWLHZLVERT-UHFFFAOYSA-N 0 0 332.425 2.321 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810321 462796211 /nfs/dbraw/zinc/79/62/11/462796211.db2.gz BCHLFMLEBHDKQN-UHFFFAOYSA-N 0 0 328.752 2.379 40 0 EEABRN CC(C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000065568762 462799351 /nfs/dbraw/zinc/79/93/51/462799351.db2.gz CXDIKMJLPKHDJL-JTQLQIEISA-N 0 0 325.206 2.327 40 0 EEABRN C[C@@H](C(=O)N1CCc2ccccc21)N(c1ccccc1)S(C)(=O)=O ZINC000010449190 462819137 /nfs/dbraw/zinc/81/91/37/462819137.db2.gz JUUHIPOBAOPHGI-AWEZNQCLSA-N 0 0 344.436 2.430 40 0 EEABRN COc1ccc(-c2noc(CCC(=O)NCc3ccncc3)n2)cc1 ZINC000011149363 462827916 /nfs/dbraw/zinc/82/79/16/462827916.db2.gz NDRWTYBIXHRKSU-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN COc1ccc(C2(C(=O)NCc3nnc(-c4ccncc4)[nH]3)CC2)cc1 ZINC000012114807 462844295 /nfs/dbraw/zinc/84/42/95/462844295.db2.gz BFCKNDOPBYQLDD-UHFFFAOYSA-N 0 0 349.394 2.223 40 0 EEABRN Cc1nn(Cn2nnc3ccccc32)c(=O)c2cc3sccc3n21 ZINC000012115214 462844312 /nfs/dbraw/zinc/84/43/12/462844312.db2.gz NWFKAAFJTNYSKC-UHFFFAOYSA-N 0 0 336.380 2.270 40 0 EEABRN Cc1ncsc1C(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012145758 462845104 /nfs/dbraw/zinc/84/51/04/462845104.db2.gz JNRQAOBTONSTHQ-UHFFFAOYSA-N 0 0 342.424 2.239 40 0 EEABRN Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000012146586 462845194 /nfs/dbraw/zinc/84/51/94/462845194.db2.gz ZRYPYVINCHVZIN-UHFFFAOYSA-N 0 0 344.371 2.332 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)n2)o1 ZINC000012182612 462846536 /nfs/dbraw/zinc/84/65/36/462846536.db2.gz IZVIGVCFWPZJET-RYUDHWBXSA-N 0 0 344.415 2.183 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCC[C@H]3C)n2)o1 ZINC000012182763 462846749 /nfs/dbraw/zinc/84/67/49/462846749.db2.gz ZGRQVMSMEBUVFJ-RISCZKNCSA-N 0 0 344.415 2.089 40 0 EEABRN C[C@H](C(=O)N1CCC[C@@H](C)C1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181273 462847439 /nfs/dbraw/zinc/84/74/39/462847439.db2.gz CUPNEKKWCLNRNI-VXGBXAGGSA-N 0 0 346.456 2.374 40 0 EEABRN CCn1ncc(Cl)c1C(=O)N1CCC(C(=O)c2ccnn2C)CC1 ZINC000012276770 462848870 /nfs/dbraw/zinc/84/88/70/462848870.db2.gz UPNMUFYPGOWYRW-UHFFFAOYSA-N 0 0 349.822 2.025 40 0 EEABRN Cc1cccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1C ZINC000013672803 462898574 /nfs/dbraw/zinc/89/85/74/462898574.db2.gz AQWJNRAAKPFEQP-ZDUSSCGKSA-N 0 0 338.473 2.328 40 0 EEABRN COc1ccc(OCCNC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000049366127 462966909 /nfs/dbraw/zinc/96/69/09/462966909.db2.gz LPAHLKRMGHKKFI-UHFFFAOYSA-N 0 0 348.786 2.482 40 0 EEABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000016450847 462979389 /nfs/dbraw/zinc/97/93/89/462979389.db2.gz PLYCRVVGKLGRLD-RMKNXTFCSA-N 0 0 338.392 2.383 40 0 EEABRN COc1cccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)c1 ZINC000016807022 462990183 /nfs/dbraw/zinc/99/01/83/462990183.db2.gz GIIZDOZSKJUSIT-UHFFFAOYSA-N 0 0 343.412 2.483 40 0 EEABRN Cc1cc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)nn1C ZINC000019119111 463014795 /nfs/dbraw/zinc/01/47/95/463014795.db2.gz ZXJZPGORNBLNKQ-UHFFFAOYSA-N 0 0 346.406 2.350 40 0 EEABRN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000052410961 463077103 /nfs/dbraw/zinc/07/71/03/463077103.db2.gz LBNCODZPPPXOMJ-CYBMUJFWSA-N 0 0 331.416 2.022 40 0 EEABRN C[C@@H]1C[C@@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1 ZINC000095449714 463086776 /nfs/dbraw/zinc/08/67/76/463086776.db2.gz ALSNVFWFNYBUHW-RIEGTJTDSA-N 0 0 334.397 2.054 40 0 EEABRN O=C(NCCc1cccnc1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000095463742 463089303 /nfs/dbraw/zinc/08/93/03/463089303.db2.gz RUCFFSODSCRLAC-UHFFFAOYSA-N 0 0 345.765 2.427 40 0 EEABRN COc1ccccc1C1(CNC(=O)c2cnoc2C)CCOCC1 ZINC000096025714 463142189 /nfs/dbraw/zinc/14/21/89/463142189.db2.gz HASVUSNKUWGDDR-UHFFFAOYSA-N 0 0 330.384 2.470 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096039107 463143723 /nfs/dbraw/zinc/14/37/23/463143723.db2.gz ZTKSOVXGYCGTCI-HZPDHXFCSA-N 0 0 343.420 2.032 40 0 EEABRN Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)Cc4ccsc4)C[C@H]3O2)no1 ZINC000096046410 463150096 /nfs/dbraw/zinc/15/00/96/463150096.db2.gz SDTMZYUYPCOFPF-MELADBBJSA-N 0 0 333.413 2.361 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccccc2)Cc2nnn(CC3CC3)c21 ZINC000096045587 463150376 /nfs/dbraw/zinc/15/03/76/463150376.db2.gz PGMFKYZTZSJXPI-OAHLLOKOSA-N 0 0 326.400 2.074 40 0 EEABRN Cc1ccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049142 463153719 /nfs/dbraw/zinc/15/37/19/463153719.db2.gz ABYOYRUFYXATJE-SFHVURJKSA-N 0 0 328.416 2.249 40 0 EEABRN CO[C@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000078879488 463158539 /nfs/dbraw/zinc/15/85/39/463158539.db2.gz OHHMSUSZPAYGLD-CABCVRRESA-N 0 0 334.416 2.500 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC000096057130 463158842 /nfs/dbraw/zinc/15/88/42/463158842.db2.gz BRVKPSPESCNVFL-LESCRADOSA-N 0 0 346.427 2.124 40 0 EEABRN COc1ccc(C(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1Cl ZINC000096065862 463165016 /nfs/dbraw/zinc/16/50/16/463165016.db2.gz GAYATDPIGAVMOL-AEGPPILISA-N 0 0 325.792 2.367 40 0 EEABRN CCc1nc([C@@H](C)NC(=O)NC2CCN(C(=O)OC)CC2)cs1 ZINC000078925497 463167916 /nfs/dbraw/zinc/16/79/16/463167916.db2.gz FUOUKFMQUWMCSI-SNVBAGLBSA-N 0 0 340.449 2.297 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC2)OCCNc2ccccc23)[nH]n1 ZINC000096080299 463169049 /nfs/dbraw/zinc/16/90/49/463169049.db2.gz SFQDJSIHADCMGQ-UHFFFAOYSA-N 0 0 326.400 2.292 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000096092205 463170702 /nfs/dbraw/zinc/17/07/02/463170702.db2.gz WYRYALYKBBJCDV-GJZGRUSLSA-N 0 0 325.368 2.393 40 0 EEABRN CCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096109328 463178455 /nfs/dbraw/zinc/17/84/55/463178455.db2.gz ZZTXBPZZUCWGLS-SJORKVTESA-N 0 0 338.473 2.440 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000079039170 463181629 /nfs/dbraw/zinc/18/16/29/463181629.db2.gz FCWTWXMIVJMHHN-ZBFHGGJFSA-N 0 0 332.448 2.157 40 0 EEABRN CN(Cc1ccco1)C(=O)COc1nc(Cc2ccc(F)cc2)no1 ZINC000079031623 463181729 /nfs/dbraw/zinc/18/17/29/463181729.db2.gz PIRNTCAGVKIYFI-UHFFFAOYSA-N 0 0 345.330 2.430 40 0 EEABRN COc1cccc(C[C@H](C)NC(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000079035974 463181790 /nfs/dbraw/zinc/18/17/90/463181790.db2.gz LKEXOTZZZGOCRP-HNNXBMFYSA-N 0 0 349.475 2.036 40 0 EEABRN COCCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c2cccnc12 ZINC000079050322 463183670 /nfs/dbraw/zinc/18/36/70/463183670.db2.gz MJOMVIRXFXVEOF-UHFFFAOYSA-N 0 0 349.818 2.065 40 0 EEABRN C[C@]1(c2ccccc2)CCCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000079098575 463187954 /nfs/dbraw/zinc/18/79/54/463187954.db2.gz PMTKKUUILWQUAS-KRWDZBQOSA-N 0 0 338.473 2.184 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)o1 ZINC000096181578 463194203 /nfs/dbraw/zinc/19/42/03/463194203.db2.gz DGZVYVMJXINGLE-ZWKOTPCHSA-N 0 0 342.395 2.111 40 0 EEABRN CCn1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)n1 ZINC000096181224 463194207 /nfs/dbraw/zinc/19/42/07/463194207.db2.gz CRTMGPVSTNLWAN-YOEHRIQHSA-N 0 0 326.400 2.370 40 0 EEABRN Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)s1 ZINC000096181789 463194285 /nfs/dbraw/zinc/19/42/85/463194285.db2.gz RUZVEOFHLQJOEG-UONOGXRCSA-N 0 0 349.387 2.128 40 0 EEABRN O=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC000096185949 463197322 /nfs/dbraw/zinc/19/73/22/463197322.db2.gz CNPRLOOJELABGB-BPLDGKMQSA-N 0 0 349.481 2.366 40 0 EEABRN O=C(c1cscn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187168 463199385 /nfs/dbraw/zinc/19/93/85/463199385.db2.gz KFNWBSKMWUBRHX-PMPSAXMXSA-N 0 0 345.424 2.127 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188085 463200303 /nfs/dbraw/zinc/20/03/03/463200303.db2.gz WIAYSRKVPOVCFK-QGZVFWFLSA-N 0 0 340.427 2.253 40 0 EEABRN COCCN1CCN(C(=O)Cc2ccsc2)Cc2cccnc21 ZINC000096198864 463204971 /nfs/dbraw/zinc/20/49/71/463204971.db2.gz OZMGUBPLTSCSFD-UHFFFAOYSA-N 0 0 331.441 2.181 40 0 EEABRN Cc1cc(C)n(-c2cncc(N[C@H](C)C(=O)N3CCCC[C@@H]3C)n2)n1 ZINC000079353882 463208328 /nfs/dbraw/zinc/20/83/28/463208328.db2.gz MNCDOUNDVQYJNZ-DZGCQCFKSA-N 0 0 342.447 2.481 40 0 EEABRN CN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000079358521 463208415 /nfs/dbraw/zinc/20/84/15/463208415.db2.gz RDBDOCRVTZUKTL-WBVHZDCISA-N 0 0 348.468 2.062 40 0 EEABRN Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)CC4=CCCCC4)CC[C@H]32)n1 ZINC000096207390 463209818 /nfs/dbraw/zinc/20/98/18/463209818.db2.gz PJJVFHNDEWMVNG-ZACQAIPSSA-N 0 0 344.459 2.410 40 0 EEABRN Fc1cnc(N2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)nc1 ZINC000096209501 463214023 /nfs/dbraw/zinc/21/40/23/463214023.db2.gz MPQKKULVASTNPN-OAHLLOKOSA-N 0 0 330.363 2.218 40 0 EEABRN COc1cc(N2CCOC[C@H]2c2csc(N3CCCC3)n2)ncn1 ZINC000096216478 463215136 /nfs/dbraw/zinc/21/51/36/463215136.db2.gz QSDFMUVNMPWSJI-ZDUSSCGKSA-N 0 0 347.444 2.120 40 0 EEABRN Cc1nc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096219318 463215977 /nfs/dbraw/zinc/21/59/77/463215977.db2.gz TYGKZZBEXDPMAN-XJKSGUPXSA-N 0 0 331.445 2.087 40 0 EEABRN O=C(c1cscn1)N1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221710 463217901 /nfs/dbraw/zinc/21/79/01/463217901.db2.gz NRSRLKAESCKASC-AWEZNQCLSA-N 0 0 345.424 2.381 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)[C@H](C)n3cccn3)C2)c1 ZINC000096409272 463242520 /nfs/dbraw/zinc/24/25/20/463242520.db2.gz MMEHHIHHZSIXCK-LSDHHAIUSA-N 0 0 328.416 2.238 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000096416695 463249285 /nfs/dbraw/zinc/24/92/85/463249285.db2.gz ALRUFJSAXMOETE-CYBMUJFWSA-N 0 0 333.775 2.480 40 0 EEABRN C[C@@](O)(CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccsc1 ZINC000096420117 463251458 /nfs/dbraw/zinc/25/14/58/463251458.db2.gz VUJRUCFSMOPIEN-MRXNPFEDSA-N 0 0 343.412 2.358 40 0 EEABRN O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccoc1)C1CCCCC1 ZINC000096423072 463254260 /nfs/dbraw/zinc/25/42/60/463254260.db2.gz JIFCBRBLQATFKK-AWEZNQCLSA-N 0 0 325.430 2.376 40 0 EEABRN Fc1cc(F)cc(-c2nc(SCc3nnnn3C3CC3)n[nH]2)c1 ZINC000096424959 463255211 /nfs/dbraw/zinc/25/52/11/463255211.db2.gz YVGGOCNLNNWXKG-UHFFFAOYSA-N 0 0 335.343 2.364 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000096426335 463255830 /nfs/dbraw/zinc/25/58/30/463255830.db2.gz WSJWXXLQMHXPOA-HZPDHXFCSA-N 0 0 341.411 2.273 40 0 EEABRN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000096432696 463261140 /nfs/dbraw/zinc/26/11/40/463261140.db2.gz CVDSLDSULGOSKU-MGPLVRAMSA-N 0 0 343.395 2.357 40 0 EEABRN C[C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H](c2ccco2)C1 ZINC000096441266 463266724 /nfs/dbraw/zinc/26/67/24/463266724.db2.gz JIYSYMGFTJNXEE-RDBSUJKOSA-N 0 0 325.430 2.404 40 0 EEABRN O=C(NCc1csc(C2CC2)n1)N1CCN(Cc2ccon2)CC1 ZINC000096440151 463266734 /nfs/dbraw/zinc/26/67/34/463266734.db2.gz LQLWBMWZBSQIHL-UHFFFAOYSA-N 0 0 347.444 2.036 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)S1 ZINC000096443766 463268566 /nfs/dbraw/zinc/26/85/66/463268566.db2.gz LDVHGRHOBTXSHT-ZDUSSCGKSA-N 0 0 342.468 2.427 40 0 EEABRN CS(=O)(=O)CC1(CC(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000096446337 463270846 /nfs/dbraw/zinc/27/08/46/463270846.db2.gz FCCDEADOHBEVDF-UHFFFAOYSA-N 0 0 341.860 2.440 40 0 EEABRN CCc1cc(N2CCC(NC(=O)CCc3ccco3)CC2)ncn1 ZINC000096450155 463271869 /nfs/dbraw/zinc/27/18/69/463271869.db2.gz VHTZSHNLPPFSEM-UHFFFAOYSA-N 0 0 328.416 2.350 40 0 EEABRN C[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)C1CC1 ZINC000096452191 463273123 /nfs/dbraw/zinc/27/31/23/463273123.db2.gz QEEFWGYYQURAQV-AWEZNQCLSA-N 0 0 347.434 2.411 40 0 EEABRN Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 ZINC000096461076 463276427 /nfs/dbraw/zinc/27/64/27/463276427.db2.gz VSYNNYLBPHHOJJ-NSHDSACASA-N 0 0 338.454 2.096 40 0 EEABRN COc1c(Br)cccc1CNC(=O)N(C)CC(C)(C)O ZINC000096465877 463278225 /nfs/dbraw/zinc/27/82/25/463278225.db2.gz JQDVGWZJEFKNHS-UHFFFAOYSA-N 0 0 345.237 2.370 40 0 EEABRN O=C(NCCc1c(F)cccc1Cl)N1CCC2(C1)OCCO2 ZINC000096474253 463279800 /nfs/dbraw/zinc/27/98/00/463279800.db2.gz ABFIUPKLFJSLGH-UHFFFAOYSA-N 0 0 328.771 2.180 40 0 EEABRN C/C(=C\C(=O)N1CCN(CCNC(=O)C2CCC2)CC1)C(C)(C)C ZINC000080123743 463284588 /nfs/dbraw/zinc/28/45/88/463284588.db2.gz DHAWURVCPCVTJV-CCEZHUSRSA-N 0 0 335.492 2.039 40 0 EEABRN COc1cccc([C@@H](O)C(=O)NCCc2cn3cccc(C)c3n2)c1 ZINC000096487096 463285110 /nfs/dbraw/zinc/28/51/10/463285110.db2.gz FXMOKMIMPDJEQM-QGZVFWFLSA-N 0 0 339.395 2.044 40 0 EEABRN CNS(=O)(=O)c1cccc([C@@H](C)NCc2noc3c2CCCC3)c1 ZINC000096491462 463287144 /nfs/dbraw/zinc/28/71/44/463287144.db2.gz JCEZDBSUPCPYKQ-GFCCVEGCSA-N 0 0 349.456 2.312 40 0 EEABRN O=S(=O)(N(C[C@H](O)c1ccc(F)cc1)C1CC1)N1CCCCC1 ZINC000096492606 463287704 /nfs/dbraw/zinc/28/77/04/463287704.db2.gz IIJDWGKFVGZZLJ-INIZCTEOSA-N 0 0 342.436 2.054 40 0 EEABRN Cc1cc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c[nH]c1=O ZINC000096494157 463288239 /nfs/dbraw/zinc/28/82/39/463288239.db2.gz LYSSNKIHBGLNQP-INIZCTEOSA-N 0 0 327.384 2.159 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(N)cc1 ZINC000096518192 463294049 /nfs/dbraw/zinc/29/40/49/463294049.db2.gz CHBCLTPOCXZVNN-JTQLQIEISA-N 0 0 340.626 2.174 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000096658937 463294689 /nfs/dbraw/zinc/29/46/89/463294689.db2.gz ZCNBLVAGFJJKFG-UHFFFAOYSA-N 0 0 344.436 2.416 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1c(F)cccc1Cl ZINC000097095159 463321783 /nfs/dbraw/zinc/32/17/83/463321783.db2.gz KLXPOZYTHOQEOT-RYUDHWBXSA-N 0 0 344.814 2.203 40 0 EEABRN CCN(C[C@@H]1CCN(C(=O)Nc2cnn(C)c2)C1)CC(F)(F)F ZINC000097098858 463322946 /nfs/dbraw/zinc/32/29/46/463322946.db2.gz QDYQWCXDQLPVPF-NSHDSACASA-N 0 0 333.358 2.158 40 0 EEABRN Cn1cc([C@@](C)(O)CNC(=O)C(C)(C)c2cccc(Cl)c2)cn1 ZINC000080893256 463363499 /nfs/dbraw/zinc/36/34/99/463363499.db2.gz RLYLDUSODRPKIJ-KRWDZBQOSA-N 0 0 335.835 2.375 40 0 EEABRN CCOC(=O)C1=NN(C(=O)c2cccc(C)c2)[C@](O)(C(C)(C)C)C1 ZINC000032138039 463366065 /nfs/dbraw/zinc/36/60/65/463366065.db2.gz SVNRMZFACILBNV-GOSISDBHSA-N 0 0 332.400 2.495 40 0 EEABRN CC(C)[C@@H](C(=O)NCCc1nc2cc(F)ccc2[nH]1)N1CCCC1=O ZINC000080960872 463373598 /nfs/dbraw/zinc/37/35/98/463373598.db2.gz VBVUXNLKJFLFDB-KRWDZBQOSA-N 0 0 346.406 2.008 40 0 EEABRN COc1ccc(OC)c(S(=O)(=O)N2CCOc3ccccc32)c1 ZINC000071557786 463417298 /nfs/dbraw/zinc/41/72/98/463417298.db2.gz MLPCXFFYSBHLOT-UHFFFAOYSA-N 0 0 335.381 2.292 40 0 EEABRN CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)C1CC1 ZINC000035290505 463431544 /nfs/dbraw/zinc/43/15/44/463431544.db2.gz HGXWMMAZBBXPGJ-ZDUSSCGKSA-N 0 0 348.428 2.392 40 0 EEABRN COc1c(Br)cncc1S(=O)(=O)N1CCCCC1 ZINC000072210881 463481981 /nfs/dbraw/zinc/48/19/81/463481981.db2.gz DRGNKZRVDMBGKS-UHFFFAOYSA-N 0 0 335.223 2.027 40 0 EEABRN O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000044895859 463699729 /nfs/dbraw/zinc/69/97/29/463699729.db2.gz BGTWXYQAGNPHEW-UHFFFAOYSA-N 0 0 327.409 2.393 40 0 EEABRN NC(=O)c1cccc2c1CCCN2Cc1nc2ccccc2c(=O)[nH]1 ZINC000590925827 468374293 /nfs/dbraw/zinc/37/42/93/468374293.db2.gz DTISXQGDQSWIRY-UHFFFAOYSA-N 0 0 334.379 2.387 40 0 EEABRN Cc1cc(C2CCN(C(=O)C3CCOCC3)CC2)nc2ccnn21 ZINC000257280132 463759495 /nfs/dbraw/zinc/75/94/95/463759495.db2.gz OJPDAFHDZMGGDD-UHFFFAOYSA-N 0 0 328.416 2.170 40 0 EEABRN Cc1nc([C@H]2CN(CCCOc3ccccc3F)CCO2)cc(=O)[nH]1 ZINC000257290213 463764987 /nfs/dbraw/zinc/76/49/87/463764987.db2.gz QCAWVMMKBFXKCE-QGZVFWFLSA-N 0 0 347.390 2.472 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000257295262 463765399 /nfs/dbraw/zinc/76/53/99/463765399.db2.gz QXQFYXHCLSSLEY-HNNXBMFYSA-N 0 0 340.427 2.309 40 0 EEABRN Cc1cc(C[C@@H]2COCCN(C(=O)Cc3cccc(F)c3)C2)ncn1 ZINC000257299233 463769419 /nfs/dbraw/zinc/76/94/19/463769419.db2.gz RPERREFKZFFGBY-INIZCTEOSA-N 0 0 343.402 2.184 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257310399 463771714 /nfs/dbraw/zinc/77/17/14/463771714.db2.gz UEXJTFBZAMDGPN-ZDUSSCGKSA-N 0 0 335.429 2.062 40 0 EEABRN O=C(CN1CCCCCC1=O)N1CCC(Cc2ccncc2)CC1 ZINC000257318136 463774757 /nfs/dbraw/zinc/77/47/57/463774757.db2.gz VMQDHZRBRFGPJJ-UHFFFAOYSA-N 0 0 329.444 2.265 40 0 EEABRN CO[C@H]1CN(C(=O)COc2ccccc2Cl)C[C@@]12CCCO2 ZINC000257322412 463778213 /nfs/dbraw/zinc/77/82/13/463778213.db2.gz WFWFKSSXRVIUAH-HOCLYGCPSA-N 0 0 325.792 2.125 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CC[C@@H](c3nc(C)cn3C)C2)n1 ZINC000257327489 463779546 /nfs/dbraw/zinc/77/95/46/463779546.db2.gz XBNUFOSVQQLUFB-MRXNPFEDSA-N 0 0 329.448 2.338 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257327112 463779934 /nfs/dbraw/zinc/77/99/34/463779934.db2.gz WZZPAVMHXSYVHS-CYBMUJFWSA-N 0 0 325.368 2.487 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)n1 ZINC000257337350 463784378 /nfs/dbraw/zinc/78/43/78/463784378.db2.gz YSLNCVGNFFTKGL-OAHLLOKOSA-N 0 0 329.375 2.489 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CCO2)ccn1 ZINC000257345070 463787047 /nfs/dbraw/zinc/78/70/47/463787047.db2.gz ZZUSQVSNRVXCAI-SFHVURJKSA-N 0 0 349.394 2.389 40 0 EEABRN Cc1nnsc1C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000194289951 463828650 /nfs/dbraw/zinc/82/86/50/463828650.db2.gz QRVAPEBERJJORK-UHFFFAOYSA-N 0 0 339.424 2.357 40 0 EEABRN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cccc(C)c3)C2)no1 ZINC000171430396 463861289 /nfs/dbraw/zinc/86/12/89/463861289.db2.gz IMQVDPQJQIMGKW-CQSZACIVSA-N 0 0 335.429 2.330 40 0 EEABRN CC(=O)NC[C@H]1CN(CCc2cc(Cl)cc(Cl)c2)CCO1 ZINC000194525433 463878934 /nfs/dbraw/zinc/87/89/34/463878934.db2.gz BHYAIKMJJXCVAE-HNNXBMFYSA-N 0 0 331.243 2.373 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)F ZINC000194691957 463910338 /nfs/dbraw/zinc/91/03/38/463910338.db2.gz LNBIPCLMFMIHKJ-SNVBAGLBSA-N 0 0 334.269 2.165 40 0 EEABRN CCc1c[nH]c(S(=O)(=O)CC(=O)N[C@@H](c2ccccc2)C2CC2)n1 ZINC000195056089 463982850 /nfs/dbraw/zinc/98/28/50/463982850.db2.gz UDLUWUUHGQFRFZ-INIZCTEOSA-N 0 0 347.440 2.013 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000195556838 464075788 /nfs/dbraw/zinc/07/57/88/464075788.db2.gz CJPMMLKQOYAKDC-DOTOQJQBSA-N 0 0 328.343 2.233 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000179321154 464105115 /nfs/dbraw/zinc/10/51/15/464105115.db2.gz RELXNEMRGOVMFO-SNVBAGLBSA-N 0 0 332.370 2.227 40 0 EEABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222753700 464132912 /nfs/dbraw/zinc/13/29/12/464132912.db2.gz ZSQGYYOYHVBOTK-RDJZCZTQSA-N 0 0 332.444 2.499 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222973941 464136141 /nfs/dbraw/zinc/13/61/41/464136141.db2.gz PAUVVVZVKIKNIF-AWEZNQCLSA-N 0 0 341.411 2.144 40 0 EEABRN CC(C)CCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225234804 464154867 /nfs/dbraw/zinc/15/48/67/464154867.db2.gz NMXURMKUGFBWMF-UHFFFAOYSA-N 0 0 346.880 2.264 40 0 EEABRN C[C@H](COc1ccc(F)c(F)c1)Nc1cccc(S(N)(=O)=O)c1 ZINC000225425516 464160022 /nfs/dbraw/zinc/16/00/22/464160022.db2.gz OOZJHMWLKIMNCK-SNVBAGLBSA-N 0 0 342.367 2.492 40 0 EEABRN C[C@H](Nc1cc(N2CCOCC2)ncn1)[C@H]1COc2ccccc21 ZINC000225482910 464165251 /nfs/dbraw/zinc/16/52/51/464165251.db2.gz QTTYDJMOJCYHCF-DZGCQCFKSA-N 0 0 326.400 2.290 40 0 EEABRN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000225545163 464170464 /nfs/dbraw/zinc/17/04/64/464170464.db2.gz KUJZOLGCCWVGBO-KGLIPLIRSA-N 0 0 334.468 2.217 40 0 EEABRN CC(C)n1cnc(S(=O)(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)c1 ZINC000225602906 464174825 /nfs/dbraw/zinc/17/48/25/464174825.db2.gz ACKVNHGEVWXCAX-CYBMUJFWSA-N 0 0 349.456 2.308 40 0 EEABRN O=S(=O)(Cc1ccc(Cl)cc1)NCc1cnn2c1CCCC2 ZINC000225612993 464174922 /nfs/dbraw/zinc/17/49/22/464174922.db2.gz GGYBIGMZANQQBZ-UHFFFAOYSA-N 0 0 339.848 2.492 40 0 EEABRN CN(C)c1noc(CNC(=O)c2ncccc2Oc2ccccc2)n1 ZINC000225668365 464177999 /nfs/dbraw/zinc/17/79/99/464177999.db2.gz IWOMEHVPSFVBBT-UHFFFAOYSA-N 0 0 339.355 2.253 40 0 EEABRN CO[C@H](CNC(=O)NCc1ncnn1C(C)(C)C)c1ccc(F)cc1 ZINC000225706550 464180246 /nfs/dbraw/zinc/18/02/46/464180246.db2.gz YRRSSVQENUMBPY-CQSZACIVSA-N 0 0 349.410 2.359 40 0 EEABRN O=C(CCc1ccccc1Br)N1CC(n2ccnn2)C1 ZINC000225691759 464181137 /nfs/dbraw/zinc/18/11/37/464181137.db2.gz MBUTZIQWNQOEFM-UHFFFAOYSA-N 0 0 335.205 2.057 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC000238949662 464441350 /nfs/dbraw/zinc/44/13/50/464441350.db2.gz WTRUZOMFNUQDHV-SECBINFHSA-N 0 0 347.318 2.267 40 0 EEABRN C[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3ncccc3Cl)C1)C2=O ZINC000239882039 464445654 /nfs/dbraw/zinc/44/56/54/464445654.db2.gz CZYYKKOPZZWHSM-BZNIZROVSA-N 0 0 334.807 2.130 40 0 EEABRN O=C(c1cc(N2CCOCC2)ccn1)N1CCc2ccc(F)cc21 ZINC000189485273 464516832 /nfs/dbraw/zinc/51/68/32/464516832.db2.gz AMAYYMPEPATWGE-UHFFFAOYSA-N 0 0 327.359 2.260 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)nc1 ZINC000247502039 464686983 /nfs/dbraw/zinc/68/69/83/464686983.db2.gz FSZSBEVLYULQCM-HNNXBMFYSA-N 0 0 344.390 2.213 40 0 EEABRN O=C(c1cocn1)N1CC2(C1)C[C@@H](CCOc1ccccn1)CCO2 ZINC000247893618 464713593 /nfs/dbraw/zinc/71/35/93/464713593.db2.gz ZEEPIXQEJTYDIX-AWEZNQCLSA-N 0 0 343.383 2.160 40 0 EEABRN COc1ccc(CN2CC3(C2)C[C@H](Oc2ncccn2)CCO3)cc1 ZINC000247916629 464715296 /nfs/dbraw/zinc/71/52/96/464715296.db2.gz WHPGJTPKLSOUNA-QGZVFWFLSA-N 0 0 341.411 2.298 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000247953386 464716946 /nfs/dbraw/zinc/71/69/46/464716946.db2.gz CNEQEYQXOSSCPY-JKOKRWQUSA-N 0 0 340.395 2.058 40 0 EEABRN CC(C)Cn1ncnc1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000182775633 464725163 /nfs/dbraw/zinc/72/51/63/464725163.db2.gz AXEWJAZHJPVJLX-CQSZACIVSA-N 0 0 337.468 2.375 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000190954581 464750210 /nfs/dbraw/zinc/75/02/10/464750210.db2.gz LFGVFYPLDKHECZ-CYBMUJFWSA-N 0 0 331.445 2.304 40 0 EEABRN CCc1nnc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)o1 ZINC000248594803 464768990 /nfs/dbraw/zinc/76/89/90/464768990.db2.gz MCWNNNDEPABRGE-AVGNSLFASA-N 0 0 336.436 2.367 40 0 EEABRN CCc1nc(Cn2c(=O)oc3cc(F)c(Br)cc32)no1 ZINC000192195811 464883733 /nfs/dbraw/zinc/88/37/33/464883733.db2.gz LUZYKBWCHKBONT-UHFFFAOYSA-N 0 0 342.124 2.490 40 0 EEABRN CCCOc1cccc2c(N3CC[C@H]4OCC(=O)N[C@H]4C3)ccnc12 ZINC000252479166 464961028 /nfs/dbraw/zinc/96/10/28/464961028.db2.gz BALGAMXFGUCPAB-GOEBONIOSA-N 0 0 341.411 2.117 40 0 EEABRN CNC(=O)C[C@@H](NC(=O)c1cccnc1OC(C)C)c1ccccc1 ZINC000252483185 464961550 /nfs/dbraw/zinc/96/15/50/464961550.db2.gz DWVDZHZELJEIMO-MRXNPFEDSA-N 0 0 341.411 2.476 40 0 EEABRN CCC(=O)c1ccc(NCCOc2ccccc2)c(S(N)(=O)=O)c1 ZINC000252507411 464973763 /nfs/dbraw/zinc/97/37/63/464973763.db2.gz WKROGSOVAKPCPL-UHFFFAOYSA-N 0 0 348.424 2.418 40 0 EEABRN CC(=O)N[C@@H](CC(C)C)c1nc(CC(=O)Nc2ccccc2)no1 ZINC000192699988 464980642 /nfs/dbraw/zinc/98/06/42/464980642.db2.gz XCOVMTPXGLTRGH-AWEZNQCLSA-N 0 0 330.388 2.474 40 0 EEABRN O=C(c1ncccc1O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184509359 464987221 /nfs/dbraw/zinc/98/72/21/464987221.db2.gz NVQZSRMEDKKVIV-UHFFFAOYSA-N 0 0 330.359 2.136 40 0 EEABRN CCOCC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000253386307 464997498 /nfs/dbraw/zinc/99/74/98/464997498.db2.gz WGVVLYJYEWUBEL-HNNXBMFYSA-N 0 0 343.383 2.236 40 0 EEABRN CN(C)c1cccc(CCC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000253392591 464997611 /nfs/dbraw/zinc/99/76/11/464997611.db2.gz AMEFAJSJKCGELJ-VQIMIIECSA-N 0 0 332.444 2.140 40 0 EEABRN Nc1ccnc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 ZINC000253420850 465009348 /nfs/dbraw/zinc/00/93/48/465009348.db2.gz DEFFJDOYVAUTQL-CYBMUJFWSA-N 0 0 336.342 2.234 40 0 EEABRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000298355022 465372886 /nfs/dbraw/zinc/37/28/86/465372886.db2.gz OTIBQXUJFSILLJ-SCLBCKFNSA-N 0 0 339.395 2.411 40 0 EEABRN O=C(N1CC2(C1)C[C@H](Oc1ncccc1F)CCO2)N1CCCC1 ZINC000306125677 466488669 /nfs/dbraw/zinc/48/86/69/466488669.db2.gz CXOJWINMZNEMLH-CYBMUJFWSA-N 0 0 335.379 2.049 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408545782 466680180 /nfs/dbraw/zinc/68/01/80/466680180.db2.gz OGIDITWYHXUTEL-KBPBESRZSA-N 0 0 326.462 2.454 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 ZINC000408574997 466680960 /nfs/dbraw/zinc/68/09/60/466680960.db2.gz VICVRTGFKRDURM-STQMWFEESA-N 0 0 341.411 2.099 40 0 EEABRN N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3O)CC2)nc1 ZINC000390835225 467415215 /nfs/dbraw/zinc/41/52/15/467415215.db2.gz GVNFPNAHZVJUKV-UHFFFAOYSA-N 0 0 342.786 2.275 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 ZINC000575402549 468140432 /nfs/dbraw/zinc/14/04/32/468140432.db2.gz BWVIZAPLQPDKOF-ABJHKEKUSA-N 0 0 330.428 2.118 40 0 EEABRN Cc1oncc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000575604617 468145599 /nfs/dbraw/zinc/14/55/99/468145599.db2.gz ARKZGWMNLCJJOY-UHFFFAOYSA-N 0 0 336.291 2.360 40 0 EEABRN CSc1ncccc1C(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575604768 468146128 /nfs/dbraw/zinc/14/61/28/468146128.db2.gz FFBCWGXZYUSXRH-GFCCVEGCSA-N 0 0 348.403 2.416 40 0 EEABRN CN1CC[C@@]2(CN(C(=O)c3ccccc3F)CC(F)(F)C2)C1=O ZINC000585093400 468963769 /nfs/dbraw/zinc/96/37/69/468963769.db2.gz UTCUQVDGAUKNFV-OAHLLOKOSA-N 0 0 326.318 2.155 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 ZINC000585095721 468964309 /nfs/dbraw/zinc/96/43/09/468964309.db2.gz FVJYBTPTVKUDGF-MRXNPFEDSA-N 0 0 348.447 2.147 40 0 EEABRN Cc1ccoc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@H]1C ZINC000585097223 468965750 /nfs/dbraw/zinc/96/57/50/468965750.db2.gz GPOANCCTBKLMFE-CYBMUJFWSA-N 0 0 344.415 2.193 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H]2C ZINC000585097342 468965849 /nfs/dbraw/zinc/96/58/49/468965849.db2.gz JCCJCHMMHHGCNQ-OAHLLOKOSA-N 0 0 343.427 2.363 40 0 EEABRN CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000585101286 468968151 /nfs/dbraw/zinc/96/81/51/468968151.db2.gz VAURMSJWNCBJNA-SFHVURJKSA-N 0 0 330.432 2.059 40 0 EEABRN CCn1cc(CN2CC3(C2)OCC[C@H]3CCOc2ccccn2)cn1 ZINC000585102858 468971036 /nfs/dbraw/zinc/97/10/36/468971036.db2.gz LFTSLNQCCVRAJS-QGZVFWFLSA-N 0 0 342.443 2.358 40 0 EEABRN Cc1ccc(-c2n[nH]c3c2CCN(C(=O)c2csnn2)CC3)cc1 ZINC000585110360 468973855 /nfs/dbraw/zinc/97/38/55/468973855.db2.gz KDINNBIMNIFSCQ-UHFFFAOYSA-N 0 0 339.424 2.478 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)N(C)C)C2)o1 ZINC000585112557 468974888 /nfs/dbraw/zinc/97/48/88/468974888.db2.gz SRHSJWWSBJXCPR-AWEZNQCLSA-N 0 0 331.420 2.003 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)o1 ZINC000585112423 468975505 /nfs/dbraw/zinc/97/55/05/468975505.db2.gz POWLFHPJKLFSDJ-MRXNPFEDSA-N 0 0 328.416 2.354 40 0 EEABRN CCc1ccccc1S(=O)(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000585141536 468990229 /nfs/dbraw/zinc/99/02/29/468990229.db2.gz CAKZMMRHAINSQG-HZPDHXFCSA-N 0 0 349.456 2.181 40 0 EEABRN Cc1ccc(OC[C@@]2(O)CCN(C(=O)CCCn3cccn3)C2)cc1 ZINC000585271501 468998007 /nfs/dbraw/zinc/99/80/07/468998007.db2.gz HBRPBWYORYOSJD-LJQANCHMSA-N 0 0 343.427 2.014 40 0 EEABRN Cc1ccccc1OC[C@]1(O)COCCN(Cc2ccncc2)C1 ZINC000585277346 469001655 /nfs/dbraw/zinc/00/16/55/469001655.db2.gz VABRUQYCHOQZTC-LJQANCHMSA-N 0 0 328.412 2.032 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@H](Oc3nc(C)cc(C)n3)C2)s1 ZINC000390827034 485668111 /nfs/dbraw/zinc/66/81/11/485668111.db2.gz DPSUHUSJHZMDFL-ZDUSSCGKSA-N 0 0 332.429 2.460 40 0 EEABRN C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)[C@@H](c2ccccc2)CO1 ZINC000679445117 485697488 /nfs/dbraw/zinc/69/74/88/485697488.db2.gz OYVZKVWRVMIGQS-XJKSGUPXSA-N 0 0 326.400 2.145 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)NCCCCc2cnn(C)c2)c1 ZINC000096446604 533840796 /nfs/dbraw/zinc/84/07/96/533840796.db2.gz TXOJJJOTUQHHQF-UHFFFAOYSA-N 0 0 325.409 2.169 40 0 EEABRN COc1ccc(NCc2cn3c(cccc3C)n2)cc1-n1cnnn1 ZINC000096446946 534186544 /nfs/dbraw/zinc/18/65/44/534186544.db2.gz JEMWNRXKLMMHDR-UHFFFAOYSA-N 0 0 335.371 2.239 40 0 EEABRN CC(C)[C@H](Sc1nncn1-c1ccccc1)C(=O)N1CCOCC1 ZINC000042941159 519824086 /nfs/dbraw/zinc/82/40/86/519824086.db2.gz CSEPFKZPLNJSRE-HNNXBMFYSA-N 0 0 346.456 2.243 40 0 EEABRN C[C@H](OC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 ZINC000248128457 525887429 /nfs/dbraw/zinc/88/74/29/525887429.db2.gz MKXVKAIAILRACN-AFAVFJNCSA-N 0 0 337.383 2.409 40 0 EEABRN CC(=O)NC1CN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C1 ZINC000190246459 526707102 /nfs/dbraw/zinc/70/71/02/526707102.db2.gz GNGIYAUDQQIRNH-UHFFFAOYSA-N 0 0 337.851 2.439 40 0 EEABRN CCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000244215158 535012332 /nfs/dbraw/zinc/01/23/32/535012332.db2.gz VWNRETZMKSRMFY-UHFFFAOYSA-N 0 0 334.416 2.082 40 0 EEABRN CCCCNc1ncc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000218759393 535296006 /nfs/dbraw/zinc/29/60/06/535296006.db2.gz JBGNQQMIYLOSRE-INIZCTEOSA-N 0 0 328.416 2.474 40 0 EEABRN CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000225932555 535576846 /nfs/dbraw/zinc/57/68/46/535576846.db2.gz JZIGUCLSQWAYLL-CQSZACIVSA-N 0 0 326.462 2.229 40 0 EEABRN COc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)cc1F ZINC000225428666 536733306 /nfs/dbraw/zinc/73/33/06/536733306.db2.gz FMQVODWRLSZDEY-CYBMUJFWSA-N 0 0 331.347 2.226 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cc(C)on2)cc1 ZINC000257245982 536944665 /nfs/dbraw/zinc/94/46/65/536944665.db2.gz IRYNJBURZNUKCQ-QGZVFWFLSA-N 0 0 343.383 2.037 40 0 EEABRN CCc1c(C)nc2ncnn2c1N1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000894786738 683095001 /nfs/dbraw/zinc/09/50/01/683095001.db2.gz TUFHPDVBDCNELC-CQSZACIVSA-N 0 0 338.415 2.356 40 0 EEABRN CCc1ncnc(NCCN2Cc3ccccc3OCC2=O)c1F ZINC000895449747 684604524 /nfs/dbraw/zinc/60/45/24/684604524.db2.gz UBUKHXVXFMBIHJ-UHFFFAOYSA-N 0 0 330.363 2.011 40 0 EEABRN CCN(C(=O)COc1cc(OC)ccc1C(N)=O)C1=CCCCC1 ZINC000048231098 213898195 /nfs/dbraw/zinc/89/81/95/213898195.db2.gz GXQHXEKFFSUOII-UHFFFAOYSA-N 0 0 332.400 2.479 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cc1ccccn1 ZINC000012088789 201825241 /nfs/dbraw/zinc/82/52/41/201825241.db2.gz SYUNBEUGYWHKSU-GOEBONIOSA-N 0 0 333.395 2.264 40 0 EEABRN CC[C@H](Cn1nc2c(C)cc3ccccc3n2c1=O)NC(=O)C1CC1 ZINC000012146484 201828913 /nfs/dbraw/zinc/82/89/13/201828913.db2.gz WBFAXUCASUAEJU-OAHLLOKOSA-N 0 0 338.411 2.262 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCC(c2noc(-c3cccnc3)n2)CC1 ZINC000012225018 201834319 /nfs/dbraw/zinc/83/43/19/201834319.db2.gz LSLDAZVXXMEVQR-AWEZNQCLSA-N 0 0 328.372 2.017 40 0 EEABRN COCc1nnc(NC(=O)C[C@H](C)n2nnc3ccccc32)s1 ZINC000019455558 202009122 /nfs/dbraw/zinc/00/91/22/202009122.db2.gz BDSGGMYNXPSRLZ-VIFPVBQESA-N 0 0 332.389 2.019 40 0 EEABRN COc1ccccc1CN1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000019570707 202013325 /nfs/dbraw/zinc/01/33/25/202013325.db2.gz MQQACWSPBYGJOA-UHFFFAOYSA-N 0 0 349.394 2.206 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000182653105 234707263 /nfs/dbraw/zinc/70/72/63/234707263.db2.gz UFBPOMJEYZNQRS-GJZGRUSLSA-N 0 0 347.463 2.274 40 0 EEABRN CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C1CCCCC1 ZINC000020104291 202031181 /nfs/dbraw/zinc/03/11/81/202031181.db2.gz DXYTXBJQJBDHGS-UHFFFAOYSA-N 0 0 342.436 2.383 40 0 EEABRN O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020493936 202046924 /nfs/dbraw/zinc/04/69/24/202046924.db2.gz KGLVIMQUKMJOGD-USXIJHARSA-N 0 0 342.439 2.496 40 0 EEABRN COC(=O)CSc1nc2nc(C)c(-c3ccc(F)cc3)c(N)n2n1 ZINC000020676255 202052152 /nfs/dbraw/zinc/05/21/52/202052152.db2.gz AVSGHDYMGGOBHJ-UHFFFAOYSA-N 0 0 347.375 2.086 40 0 EEABRN CCn1c2ccccc2ccc1=NNS(=O)(=O)c1ccccc1 ZINC000003091444 202164105 /nfs/dbraw/zinc/16/41/05/202164105.db2.gz XSJSDONJJMVJTD-UHFFFAOYSA-O 0 0 328.417 2.453 40 0 EEABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCOCC1 ZINC000030863260 202200845 /nfs/dbraw/zinc/20/08/45/202200845.db2.gz TZVDFUNVLJQGFU-SFHVURJKSA-N 0 0 334.460 2.299 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000069260774 202274353 /nfs/dbraw/zinc/27/43/53/202274353.db2.gz FBHBLURFPGWGSK-ZDUSSCGKSA-N 0 0 338.415 2.475 40 0 EEABRN CCCN(C[C@H]1CCCO1)C(=O)COc1ccc2nsnc2c1 ZINC000036741161 202330336 /nfs/dbraw/zinc/33/03/36/202330336.db2.gz YCCGFEDXIXAOLL-CYBMUJFWSA-N 0 0 335.429 2.488 40 0 EEABRN Cc1cc(C(=O)N2CCN(C[C@@H](O)c3cc(C)ccc3C)CC2)on1 ZINC000072578122 202364798 /nfs/dbraw/zinc/36/47/98/202364798.db2.gz BJSWAJVCRIYEOF-QGZVFWFLSA-N 0 0 343.427 2.091 40 0 EEABRN Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000073179677 202368123 /nfs/dbraw/zinc/36/81/23/202368123.db2.gz CIMNWFLWWZVCHM-JTQLQIEISA-N 0 0 341.375 2.458 40 0 EEABRN Cc1cccc(-c2cccc(C(=O)NCC(=O)N3CCOCC3)c2)c1 ZINC000072264647 202358921 /nfs/dbraw/zinc/35/89/21/202358921.db2.gz AIOQGQMDNKNASU-UHFFFAOYSA-N 0 0 338.407 2.251 40 0 EEABRN CN1CCN(c2cc(NC(=O)c3cc4ccccc4o3)ncn2)CC1 ZINC000075166222 202377872 /nfs/dbraw/zinc/37/78/72/202377872.db2.gz AUAAVVXKVQYMNR-UHFFFAOYSA-N 0 0 337.383 2.227 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2CSCCC(=O)N2)ccc1Br ZINC000075171291 202378325 /nfs/dbraw/zinc/37/83/25/202378325.db2.gz INQSENHYYCGVJC-NSHDSACASA-N 0 0 343.246 2.318 40 0 EEABRN O=C(NC[C@@H](O)c1ccc(Cl)s1)c1cnn(-c2ccccc2)n1 ZINC000075272550 202381029 /nfs/dbraw/zinc/38/10/29/202381029.db2.gz FOWGWLDQBWILFO-GFCCVEGCSA-N 0 0 348.815 2.446 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)c1C ZINC000077920430 202395108 /nfs/dbraw/zinc/39/51/08/202395108.db2.gz BFGGHKRZQONVIR-HNNXBMFYSA-N 0 0 348.349 2.370 40 0 EEABRN C[C@H](OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000078442495 202395682 /nfs/dbraw/zinc/39/56/82/202395682.db2.gz HJKVCJTUJZHFPG-AAEUAGOBSA-N 0 0 329.393 2.102 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000078611475 202398469 /nfs/dbraw/zinc/39/84/69/202398469.db2.gz KUVQUVYUYSBIER-AWEZNQCLSA-N 0 0 333.432 2.492 40 0 EEABRN CC(C)(NC(=O)CNC(=O)OCC(F)(F)F)c1cccc(F)c1 ZINC000076625377 202389006 /nfs/dbraw/zinc/38/90/06/202389006.db2.gz KEUVGOPKFVTVCR-UHFFFAOYSA-N 0 0 336.285 2.466 40 0 EEABRN Cc1ccn(-c2ccc(N3C[C@H](O)C[C@@H]3C3CCCCC3)nn2)n1 ZINC000078260265 202389714 /nfs/dbraw/zinc/38/97/14/202389714.db2.gz FHWJUYHVOMQQRS-HZPDHXFCSA-N 0 0 327.432 2.491 40 0 EEABRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000077747707 202392675 /nfs/dbraw/zinc/39/26/75/202392675.db2.gz ZAMVVJQMNOTDPE-HIFRSBDPSA-N 0 0 333.432 2.282 40 0 EEABRN O=c1c2cccnc2cnn1C[C@@H](O)c1ccc(Br)cc1 ZINC000077416709 202393336 /nfs/dbraw/zinc/39/33/36/202393336.db2.gz AVZJJLAAEFZZHV-CQSZACIVSA-N 0 0 346.184 2.288 40 0 EEABRN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000081073668 202475109 /nfs/dbraw/zinc/47/51/09/202475109.db2.gz IPSOMNKKWCYTIT-MRXNPFEDSA-N 0 0 341.415 2.016 40 0 EEABRN Cc1cc(N2CCC(NC(=O)COCc3ccccc3)CC2)n[nH]1 ZINC000238933498 201151004 /nfs/dbraw/zinc/15/10/04/201151004.db2.gz VHCRHMAQUCBEDM-UHFFFAOYSA-N 0 0 328.416 2.020 40 0 EEABRN CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@H]2CCCO2)s1 ZINC000245287248 201152492 /nfs/dbraw/zinc/15/24/92/201152492.db2.gz BQXRPILHIHOGTB-CHWSQXEVSA-N 0 0 325.478 2.302 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)N(C)c1ccc(O)cc1 ZINC000319002278 201362643 /nfs/dbraw/zinc/36/26/43/201362643.db2.gz WMIISBOBXLXKEG-UHFFFAOYSA-N 0 0 341.410 2.374 40 0 EEABRN Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc3C2)s1 ZINC000085560263 202623993 /nfs/dbraw/zinc/62/39/93/202623993.db2.gz UALDTZRKMVRAHT-MRXNPFEDSA-N 0 0 337.466 2.255 40 0 EEABRN CC(C)[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000053273408 202656511 /nfs/dbraw/zinc/65/65/11/202656511.db2.gz AJIVLHPVNMUSCP-LLVKDONJSA-N 0 0 332.853 2.267 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 ZINC000053476969 202659035 /nfs/dbraw/zinc/65/90/35/202659035.db2.gz DLDVOWGVJNBEHV-MSOLQXFVSA-N 0 0 333.395 2.261 40 0 EEABRN CO[C@H](C)CS(=O)(=O)NCc1cccc(C)c1Br ZINC000195467859 240967914 /nfs/dbraw/zinc/96/79/14/240967914.db2.gz DJBZXWRYBLSGNC-SNVBAGLBSA-N 0 0 336.251 2.212 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218596314 241333039 /nfs/dbraw/zinc/33/30/39/241333039.db2.gz NIFZYICKKJILOA-IPYPFGDCSA-N 0 0 345.461 2.035 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222584954 241531795 /nfs/dbraw/zinc/53/17/95/241531795.db2.gz LGUVHSLVQBRSSC-AWEZNQCLSA-N 0 0 344.386 2.368 40 0 EEABRN COc1ccc(-c2noc(=O)n2Cc2nc(C)cs2)cc1OC ZINC000088520092 202788896 /nfs/dbraw/zinc/78/88/96/202788896.db2.gz BSGSKMWBSAJMAF-UHFFFAOYSA-N 0 0 333.369 2.334 40 0 EEABRN CC[C@@H]1CN(c2cc(N3CCCC3)ncn2)CCN1CC(F)F ZINC000225483895 241889903 /nfs/dbraw/zinc/88/99/03/241889903.db2.gz PHGKSRZSCNYTEM-CYBMUJFWSA-N 0 0 325.407 2.243 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC[C@@](O)(c1ccco1)c1cccs1 ZINC000225588536 241938251 /nfs/dbraw/zinc/93/82/51/241938251.db2.gz CNFYHMUSNYKGCZ-QGZVFWFLSA-N 0 0 345.424 2.357 40 0 EEABRN COc1nccnc1O[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000225805978 242045563 /nfs/dbraw/zinc/04/55/63/242045563.db2.gz PEOFQBAJSPLRHT-ZDUSSCGKSA-N 0 0 338.367 2.260 40 0 EEABRN S=C(NC[C@@H]1CCCO1)Nc1nc(Cl)cc(N2CCCC2)n1 ZINC000225910420 242075219 /nfs/dbraw/zinc/07/52/19/242075219.db2.gz AKQAWQSPBONRGH-JTQLQIEISA-N 0 0 341.868 2.196 40 0 EEABRN COc1ccc(-n2cnc(C(=O)NCCCn3ccnc3C)c2)cc1 ZINC000226753353 242113113 /nfs/dbraw/zinc/11/31/13/242113113.db2.gz YUVQUWIZEPGKNE-UHFFFAOYSA-N 0 0 339.399 2.206 40 0 EEABRN CN1CCO[C@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@H]21 ZINC000241739163 243001167 /nfs/dbraw/zinc/00/11/67/243001167.db2.gz RANALQKAYCCWGF-SJORKVTESA-N 0 0 349.500 2.283 40 0 EEABRN O=C(c1ccc(CN2C(=O)NC3(CCCC3)C2=O)cc1)N1CCCC1 ZINC000040456774 203082445 /nfs/dbraw/zinc/08/24/45/203082445.db2.gz MSIBLSBDNIMNIA-UHFFFAOYSA-N 0 0 341.411 2.287 40 0 EEABRN CN1C(=O)C[C@@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(Cl)cc1 ZINC000092504343 203083392 /nfs/dbraw/zinc/08/33/92/203083392.db2.gz ZAYFMMKJMAHAKU-PBHICJAKSA-N 0 0 346.818 2.015 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)CCc3ccccc3)CC2)n1 ZINC000253537209 244016806 /nfs/dbraw/zinc/01/68/06/244016806.db2.gz BZUTZWACMJBLAG-UHFFFAOYSA-N 0 0 340.427 2.208 40 0 EEABRN COC(=O)[C@H]1CN(Cc2cnc(-c3ccc(C)o3)s2)C[C@@H](C)O1 ZINC000092014104 203078728 /nfs/dbraw/zinc/07/87/28/203078728.db2.gz ZHPYIARNUZOUMJ-BXUZGUMPSA-N 0 0 336.413 2.474 40 0 EEABRN CNc1cc([C@@H]2CCCN(C(=O)CCc3cc(OC)no3)C2)ccn1 ZINC000257205203 244131194 /nfs/dbraw/zinc/13/11/94/244131194.db2.gz AYBFNVIWQNFTNU-CQSZACIVSA-N 0 0 344.415 2.459 40 0 EEABRN O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)C1(c2ccccc2F)CC1 ZINC000257212832 244157288 /nfs/dbraw/zinc/15/72/88/244157288.db2.gz CFDNULKMIOJMBF-BRWVUGGUSA-N 0 0 343.402 2.325 40 0 EEABRN CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cscn2)ccn1 ZINC000257215048 244164359 /nfs/dbraw/zinc/16/43/59/244164359.db2.gz COKDWDGCZQIZTF-OAHLLOKOSA-N 0 0 330.413 2.152 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)CCn2ccc(C)n2)CCN1C ZINC000257229248 244206307 /nfs/dbraw/zinc/20/63/07/244206307.db2.gz FXIWSAIQKMWLJP-KRWDZBQOSA-N 0 0 342.443 2.106 40 0 EEABRN COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O ZINC000257221352 244183575 /nfs/dbraw/zinc/18/35/75/244183575.db2.gz DORIBQDUKWIBHN-NQUFMGSDSA-N 0 0 343.427 2.094 40 0 EEABRN CCc1nccn1-c1cccc([C@H]2CCCN2CC(=O)N(C)C)n1 ZINC000072379199 203210243 /nfs/dbraw/zinc/21/02/43/203210243.db2.gz HACBVMMOVMEHPG-OAHLLOKOSA-N 0 0 327.432 2.055 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000257244105 244253894 /nfs/dbraw/zinc/25/38/94/244253894.db2.gz IJVUSVCTYFKLPQ-CYBMUJFWSA-N 0 0 345.403 2.152 40 0 EEABRN Cc1nccc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257245238 244256461 /nfs/dbraw/zinc/25/64/61/244256461.db2.gz IOQPWKMNINJJAT-GOSISDBHSA-N 0 0 327.384 2.130 40 0 EEABRN C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1cccc(F)c1 ZINC000072324994 203200729 /nfs/dbraw/zinc/20/07/29/203200729.db2.gz KKRCGGRIXQFNBW-ZDUSSCGKSA-N 0 0 343.402 2.470 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N3CCCCCC3)c(=O)c1n2C ZINC000072335326 203202137 /nfs/dbraw/zinc/20/21/37/203202137.db2.gz NMLNGSIHFHGPFC-UHFFFAOYSA-N 0 0 342.399 2.192 40 0 EEABRN COc1cccc(C(=O)N2CCC(O)(c3cccnc3F)CC2)c1 ZINC000072340006 203203798 /nfs/dbraw/zinc/20/37/98/203203798.db2.gz QGRWRDSSVLFRKT-UHFFFAOYSA-N 0 0 330.359 2.353 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000257239137 244238507 /nfs/dbraw/zinc/23/85/07/244238507.db2.gz HOCLZEZZMYDIDQ-MRXNPFEDSA-N 0 0 330.432 2.357 40 0 EEABRN c1cn(-c2cncc([C@H]3CCCN(Cc4cscn4)C3)n2)cn1 ZINC000257239246 244238897 /nfs/dbraw/zinc/23/88/97/244238897.db2.gz HOOJQQMRZLJOTP-ZDUSSCGKSA-N 0 0 326.429 2.498 40 0 EEABRN O=C(CO)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359084 203205010 /nfs/dbraw/zinc/20/50/10/203205010.db2.gz RAXNTDQXRYGEPV-ZDUSSCGKSA-N 0 0 331.803 2.495 40 0 EEABRN O=C(NCC1CC1)c1ccc([C@H]2CCCN(c3ncccn3)C2)nc1 ZINC000072368926 203208512 /nfs/dbraw/zinc/20/85/12/203208512.db2.gz BDAUCDOFJNIURQ-INIZCTEOSA-N 0 0 337.427 2.395 40 0 EEABRN c1cnc(Nc2nccnc2[C@@H]2CCCN(c3ccncn3)C2)cn1 ZINC000257247580 244261183 /nfs/dbraw/zinc/26/11/83/244261183.db2.gz IZOICXHSVCKSBC-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN COc1ccc(C)cc1NC(=O)CN1CC[C@]2(CCCO2)[C@@H](OC)C1 ZINC000257256483 244285739 /nfs/dbraw/zinc/28/57/39/244285739.db2.gz KLRJBHWZNXAJOR-PKOBYXMFSA-N 0 0 348.443 2.212 40 0 EEABRN Cc1ccc(Oc2cccc([C@H]3CN(CC(N)=O)CCO3)n2)cc1 ZINC000257265515 244362029 /nfs/dbraw/zinc/36/20/29/244362029.db2.gz LYYSNWOEWYYNSO-MRXNPFEDSA-N 0 0 327.384 2.041 40 0 EEABRN CC(C)Oc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CCN2C)cc1 ZINC000257270357 244372757 /nfs/dbraw/zinc/37/27/57/244372757.db2.gz MTWOIBFNPWILSC-GOSISDBHSA-N 0 0 342.443 2.336 40 0 EEABRN Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)no1 ZINC000257272077 244378524 /nfs/dbraw/zinc/37/85/24/244378524.db2.gz NAZRUCTXZQFXCU-AWEZNQCLSA-N 0 0 340.383 2.191 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257272853 244383893 /nfs/dbraw/zinc/38/38/93/244383893.db2.gz NEDBLTKIBFTYSO-CQSZACIVSA-N 0 0 336.399 2.085 40 0 EEABRN NC(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccccc3)CC2)ncn1 ZINC000257277272 244397309 /nfs/dbraw/zinc/39/73/09/244397309.db2.gz NXEBHYLAIDLBQJ-AWEZNQCLSA-N 0 0 338.411 2.061 40 0 EEABRN COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)oc21 ZINC000257308873 244485254 /nfs/dbraw/zinc/48/52/54/244485254.db2.gz TYOQYXXBDJNNNB-JTNHKYCSSA-N 0 0 339.775 2.099 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 ZINC000257327889 244541441 /nfs/dbraw/zinc/54/14/41/244541441.db2.gz XDEHYUVJZRAFCV-AWEZNQCLSA-N 0 0 346.456 2.339 40 0 EEABRN Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)C2=CCCC2)C3)n1 ZINC000096108942 203836828 /nfs/dbraw/zinc/83/68/28/203836828.db2.gz JTGHJGZSPIWLCA-XLIONFOSSA-N 0 0 342.439 2.492 40 0 EEABRN O=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1 ZINC000096146818 203842817 /nfs/dbraw/zinc/84/28/17/203842817.db2.gz WEADQAOPMMQGRV-UHFFFAOYSA-N 0 0 327.409 2.372 40 0 EEABRN COc1ccc(C(=O)N2CCO[C@H]3[C@H](OC)CC[C@@H]32)cc1Cl ZINC000096041431 203801996 /nfs/dbraw/zinc/80/19/96/203801996.db2.gz GAYATDPIGAVMOL-NWANDNLSSA-N 0 0 325.792 2.367 40 0 EEABRN CC[C@@](Br)(C(=O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096518710 203892717 /nfs/dbraw/zinc/89/27/17/203892717.db2.gz TYHFZYMNRYLHHV-LBPRGKRZSA-N 0 0 334.235 2.387 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CCN(C(=O)c4ccco4)C3)C2=O)cs1 ZINC000096159453 203847632 /nfs/dbraw/zinc/84/76/32/203847632.db2.gz AFVQGMOXJWZUKH-KRWDZBQOSA-N 0 0 345.424 2.309 40 0 EEABRN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)nn1 ZINC000096184869 203851497 /nfs/dbraw/zinc/85/14/97/203851497.db2.gz VCKBQVKWASEDQB-LSDHHAIUSA-N 0 0 328.441 2.269 40 0 EEABRN c1cnc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)nc1 ZINC000096250040 203884353 /nfs/dbraw/zinc/88/43/53/203884353.db2.gz PHUASLJELSLMJX-GVDBMIGSSA-N 0 0 326.400 2.072 40 0 EEABRN COc1cccc(N[C@H]2CC(=O)N(c3ccccc3OC)C2=O)c1 ZINC000101275844 204003930 /nfs/dbraw/zinc/00/39/30/204003930.db2.gz MFXCGRJGQKLHBD-AWEZNQCLSA-N 0 0 326.352 2.448 40 0 EEABRN O=C(NCCc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000042646296 204116138 /nfs/dbraw/zinc/11/61/38/204116138.db2.gz LIZSGSKPCNKUPO-UHFFFAOYSA-N 0 0 337.301 2.398 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000044204460 204298163 /nfs/dbraw/zinc/29/81/63/204298163.db2.gz RFMJLPUJQXACBR-SNVBAGLBSA-N 0 0 341.433 2.483 40 0 EEABRN CCOCC(=O)N1CCC2(CC(=O)N(Cc3cccc(C)c3)C2)CC1 ZINC000108532137 204265866 /nfs/dbraw/zinc/26/58/66/204265866.db2.gz DAHBUYLPUMKXOP-UHFFFAOYSA-N 0 0 344.455 2.373 40 0 EEABRN CC(C)N1CC2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O ZINC000019320028 212015536 /nfs/dbraw/zinc/01/55/36/212015536.db2.gz HOUCKWCIEWCJCL-UHFFFAOYSA-N 0 0 325.456 2.294 40 0 EEABRN CC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000004400737 205711009 /nfs/dbraw/zinc/71/10/09/205711009.db2.gz WBTXSYLBOXAEQH-UTTMJGGOSA-N 0 0 341.407 2.310 40 0 EEABRN O=C(c1n[nH]c2c1CCCC2)N1CCn2cc(C(F)(F)F)nc2C1 ZINC000012116276 284596677 /nfs/dbraw/zinc/59/66/77/284596677.db2.gz OEACIHOZLPAKHR-UHFFFAOYSA-N 0 0 339.321 2.160 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC000096161284 296263137 /nfs/dbraw/zinc/26/31/37/296263137.db2.gz FJGASDNJFSPLDC-UHFFFAOYSA-N 0 0 335.407 2.177 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058025 296263657 /nfs/dbraw/zinc/26/36/57/296263657.db2.gz WTCULWNYPSOKGL-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000095450787 218395727 /nfs/dbraw/zinc/39/57/27/218395727.db2.gz ATMUPEZHDUPUKF-DOTOQJQBSA-N 0 0 347.365 2.137 40 0 EEABRN O=C1CSC(=O)N1Cc1ccc(I)cc1 ZINC000408607441 284831793 /nfs/dbraw/zinc/83/17/93/284831793.db2.gz RZXZQOKPACURKR-UHFFFAOYSA-N 0 0 333.150 2.487 40 0 EEABRN O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096402829 218751122 /nfs/dbraw/zinc/75/11/22/218751122.db2.gz BPHMJVQDNNLWHB-HZPDHXFCSA-N 0 0 329.379 2.320 40 0 EEABRN CSc1nnc(CCCNC(=O)c2nccn2C)n1C1CCCC1 ZINC000096421327 218786869 /nfs/dbraw/zinc/78/68/69/218786869.db2.gz XGXVMPXOTSJKQI-UHFFFAOYSA-N 0 0 348.476 2.211 40 0 EEABRN CCC[C@@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccccc1 ZINC000096421415 218786953 /nfs/dbraw/zinc/78/69/53/218786953.db2.gz VZBNWTSDBSCWIK-AEFFLSMTSA-N 0 0 330.432 2.468 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000096423401 218790583 /nfs/dbraw/zinc/79/05/83/218790583.db2.gz PXIUAAMFFHFQSJ-HZPDHXFCSA-N 0 0 344.459 2.157 40 0 EEABRN C[C@](O)(CNS(=O)(=O)CCc1ccccc1)c1ccsc1 ZINC000096428200 218800389 /nfs/dbraw/zinc/80/03/89/218800389.db2.gz QNIBYCUZJBLXBX-HNNXBMFYSA-N 0 0 325.455 2.118 40 0 EEABRN C[C@@]1(C(=O)OCCn2cccn2)CCCN(C(=O)c2ccccc2)C1 ZINC000096441864 218823578 /nfs/dbraw/zinc/82/35/78/218823578.db2.gz LQNDLAPEWUGHOO-LJQANCHMSA-N 0 0 341.411 2.369 40 0 EEABRN O=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(O)CCSCC1 ZINC000096486913 218862958 /nfs/dbraw/zinc/86/29/58/218862958.db2.gz NBAHJMVOZXQALY-QPJJXVBHSA-N 0 0 346.496 2.102 40 0 EEABRN CN(CC(C)(C)O)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000096493277 218870889 /nfs/dbraw/zinc/87/08/89/218870889.db2.gz VUELFDDBPFKUON-UONOGXRCSA-N 0 0 328.359 2.207 40 0 EEABRN C[C@](O)(Cc1ccccc1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000097228105 218999269 /nfs/dbraw/zinc/99/92/69/218999269.db2.gz KBMDMYOOQPMTHG-AEFFLSMTSA-N 0 0 333.815 2.483 40 0 EEABRN O=C(CN1CCN(c2ccc(O)cc2)CC1)NCC1CCCCC1 ZINC000057439725 132200723 /nfs/dbraw/zinc/20/07/23/132200723.db2.gz MVRBVVPSDBBNTK-UHFFFAOYSA-N 0 0 331.460 2.211 40 0 EEABRN FC(F)n1ccnc1CN1CCN(c2cncc(Cl)n2)CC1 ZINC000075047637 132814744 /nfs/dbraw/zinc/81/47/44/132814744.db2.gz YBNLZRQYVQYIIT-UHFFFAOYSA-N 0 0 328.754 2.044 40 0 EEABRN O=C1CN(c2ncc(-c3cccs3)c(-c3cccnc3)n2)CCN1 ZINC000019340153 135714308 /nfs/dbraw/zinc/71/43/08/135714308.db2.gz UBMXYLBCYKKOIF-UHFFFAOYSA-N 0 0 337.408 2.203 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)CCC(=O)N2C)cc1 ZINC000057355943 292236765 /nfs/dbraw/zinc/23/67/65/292236765.db2.gz OMPUWUUVLXMVDR-XYJFISCASA-N 0 0 330.428 2.200 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccnc(C)n2)cc1 ZINC000257260829 286363544 /nfs/dbraw/zinc/36/35/44/286363544.db2.gz LEOWCHCWEDUVQF-IBGZPJMESA-N 0 0 340.427 2.199 40 0 EEABRN CC(C)(C)c1csc(CNC(=O)N2CC(=O)N(CC3CC3)C2)n1 ZINC000279007642 269254983 /nfs/dbraw/zinc/25/49/83/269254983.db2.gz SLGUUQKZSVMSTO-UHFFFAOYSA-N 0 0 336.461 2.162 40 0 EEABRN CNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)cn2nccc12 ZINC000257209830 277305524 /nfs/dbraw/zinc/30/55/24/277305524.db2.gz BSAYVXNPOYZJRZ-CQSZACIVSA-N 0 0 336.399 2.186 40 0 EEABRN Cc1nn2cccnc2c1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000072502826 302808493 /nfs/dbraw/zinc/80/84/93/302808493.db2.gz JIVHDSUDXSOHRV-UHFFFAOYSA-N 0 0 325.347 2.273 40 0 EEABRN Fc1cnc(N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000096040358 303137290 /nfs/dbraw/zinc/13/72/90/303137290.db2.gz DUEZAYWWSGIIKG-YJBOKZPZSA-N 0 0 344.390 2.465 40 0 EEABRN COC1(CO)CCN(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434868890 314871018 /nfs/dbraw/zinc/87/10/18/314871018.db2.gz MTVRHCJSMYGLAS-UHFFFAOYSA-N 0 0 348.777 2.301 40 0 EEABRN Cn1nccc1CCC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000097096738 323320546 /nfs/dbraw/zinc/32/05/46/323320546.db2.gz GZXRVJBJCDLZNX-UHFFFAOYSA-N 0 0 349.818 2.484 40 0 EEABRN Cc1c(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)cccc1N(C)C ZINC000097104103 323321466 /nfs/dbraw/zinc/32/14/66/323321466.db2.gz WBPFWOLEEUAJHS-INIZCTEOSA-N 0 0 346.475 2.247 40 0 EEABRN CC(C)CCn1ccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)n1 ZINC000097103423 323321501 /nfs/dbraw/zinc/32/15/01/323321501.db2.gz VXQAPEVOWDDDCR-UHFFFAOYSA-N 0 0 347.463 2.405 40 0 EEABRN CCCOCc1ccccc1CNc1nc2c(cnn2C)c(=O)[nH]1 ZINC000060381295 462545594 /nfs/dbraw/zinc/54/55/94/462545594.db2.gz LEKAOXLAMAYAGJ-UHFFFAOYSA-N 0 0 327.388 2.195 40 0 EEABRN CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1 ZINC000000412155 462559291 /nfs/dbraw/zinc/55/92/91/462559291.db2.gz FCWNUJDGUFRGOJ-UHFFFAOYSA-N 0 0 339.424 2.476 40 0 EEABRN COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000000416447 462560279 /nfs/dbraw/zinc/56/02/79/462560279.db2.gz FBTODFBJAXGQGX-UHFFFAOYSA-N 0 0 341.346 2.435 40 0 EEABRN Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OC(C)C)[C@@H]4C2=O)c1 ZINC000000488780 462567173 /nfs/dbraw/zinc/56/71/73/462567173.db2.gz UZOURSQWICZERQ-GGXPGOJBSA-N 0 0 327.380 2.233 40 0 EEABRN COc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O ZINC000000559176 462569941 /nfs/dbraw/zinc/56/99/41/462569941.db2.gz GARIQLVJWDGVDH-UHFFFAOYSA-N 0 0 340.445 2.228 40 0 EEABRN CCSc1nnc(C(F)F)n1NC(=O)c1c(C)nn(C)c1C ZINC000002791583 462603295 /nfs/dbraw/zinc/60/32/95/462603295.db2.gz VAYYULLNDMOFTO-UHFFFAOYSA-N 0 0 330.364 2.062 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)Cc3ccc(F)cc3)nn2)cc1 ZINC000087424405 462607061 /nfs/dbraw/zinc/60/70/61/462607061.db2.gz XELOKQGWYGLCHE-UHFFFAOYSA-N 0 0 340.358 2.274 40 0 EEABRN CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)CC(=O)C[C@@]1(C)O ZINC000004416619 462631234 /nfs/dbraw/zinc/63/12/34/462631234.db2.gz MBDQYCYEBOCOMV-FDQGKXFDSA-N 0 0 336.384 2.081 40 0 EEABRN CCCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000004858032 462639932 /nfs/dbraw/zinc/63/99/32/462639932.db2.gz LZVGGZQHQWTLHO-UHFFFAOYSA-N 0 0 334.449 2.270 40 0 EEABRN CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCOC ZINC000004902310 462640970 /nfs/dbraw/zinc/64/09/70/462640970.db2.gz DFTWKVXYZJNVSG-LURJTMIESA-N 0 0 341.216 2.148 40 0 EEABRN CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000005008112 462643620 /nfs/dbraw/zinc/64/36/20/462643620.db2.gz ISMKLCRWDOCJOC-UHFFFAOYSA-N 0 0 330.837 2.263 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000005673934 462666136 /nfs/dbraw/zinc/66/61/36/462666136.db2.gz GJVHPHBKLYFZHR-OLZOCXBDSA-N 0 0 342.436 2.141 40 0 EEABRN COC(=O)COc1ccc(NC(=O)COCc2ccccc2)cc1 ZINC000114669466 462669054 /nfs/dbraw/zinc/66/90/54/462669054.db2.gz GYOFLVHKUAGAMH-UHFFFAOYSA-N 0 0 329.352 2.394 40 0 EEABRN COc1ccccc1OCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000006261007 462680655 /nfs/dbraw/zinc/68/06/55/462680655.db2.gz GBQBSEXPQHGNGF-CYBMUJFWSA-N 0 0 329.352 2.030 40 0 EEABRN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000006473277 462686432 /nfs/dbraw/zinc/68/64/32/462686432.db2.gz FKHABJINOPETFV-UHFFFAOYSA-N 0 0 327.336 2.410 40 0 EEABRN COc1ccc(-c2cc(-c3nc4c5cnn(C)c5ncn4n3)n[nH]2)cc1 ZINC000006447562 462686593 /nfs/dbraw/zinc/68/65/93/462686593.db2.gz FAKKSALNBDWKJT-UHFFFAOYSA-N 0 0 346.354 2.077 40 0 EEABRN COc1cccc(-c2csc3ncc(C(=O)NC4CC4)c(=O)n23)c1 ZINC000064787904 462719938 /nfs/dbraw/zinc/71/99/38/462719938.db2.gz XYDHSPAZFDFQSS-UHFFFAOYSA-N 0 0 341.392 2.324 40 0 EEABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000007361255 462732281 /nfs/dbraw/zinc/73/22/81/462732281.db2.gz TYKRLQHMTLVSDR-UHFFFAOYSA-N 0 0 339.344 2.422 40 0 EEABRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000008227496 462774139 /nfs/dbraw/zinc/77/41/39/462774139.db2.gz JBJFGBICRUZJMK-CQSZACIVSA-N 0 0 334.397 2.113 40 0 EEABRN COc1cccc(CNC(=O)C(=O)NCCCc2ccccc2)c1 ZINC000009991456 462810534 /nfs/dbraw/zinc/81/05/34/462810534.db2.gz RUNFUPKHWCJDSD-UHFFFAOYSA-N 0 0 326.396 2.060 40 0 EEABRN CCCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000010334961 462817347 /nfs/dbraw/zinc/81/73/47/462817347.db2.gz QBTDQSWTUUNPCQ-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000010434049 462819866 /nfs/dbraw/zinc/81/98/66/462819866.db2.gz AGUVPQOLSYSKLE-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN CNc1ncccc1CN1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000012121891 462843230 /nfs/dbraw/zinc/84/32/30/462843230.db2.gz OOXXPQNMNRGQHX-UHFFFAOYSA-N 0 0 348.410 2.239 40 0 EEABRN CCn1c2ncccc2n(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1=O ZINC000012117474 462844127 /nfs/dbraw/zinc/84/41/27/462844127.db2.gz DEBKVKIGLLOTQH-LSDHHAIUSA-N 0 0 342.443 2.399 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012113222 462844190 /nfs/dbraw/zinc/84/41/90/462844190.db2.gz YNXVUZQKJUUADD-HZPDHXFCSA-N 0 0 331.460 2.155 40 0 EEABRN CCC[C@@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200073 462846794 /nfs/dbraw/zinc/84/67/94/462846794.db2.gz RFURRMRDCSYDKW-WDEREUQCSA-N 0 0 337.445 2.424 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCCC3)n2)o1 ZINC000012182926 462847572 /nfs/dbraw/zinc/84/75/72/462847572.db2.gz GOTNZLYIVCWWCL-GFCCVEGCSA-N 0 0 344.415 2.404 40 0 EEABRN COC(=O)[C@@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000013138807 462885249 /nfs/dbraw/zinc/88/52/49/462885249.db2.gz MIBSXHGMZNGFAX-GKJLGGESSA-N 0 0 340.375 2.270 40 0 EEABRN CCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000013424964 462892951 /nfs/dbraw/zinc/89/29/51/462892951.db2.gz PRLKHSKACRDFGY-RMKNXTFCSA-N 0 0 342.852 2.458 40 0 EEABRN NN=c1[nH]c2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000015424543 462952834 /nfs/dbraw/zinc/95/28/34/462952834.db2.gz RFZZJTDBKRICLE-UHFFFAOYSA-N 0 0 331.173 2.434 40 0 EEABRN COc1cccc(C2=NN(C(C)=O)c3ncn(C(C)=O)c3S2)c1 ZINC000016806971 462990208 /nfs/dbraw/zinc/99/02/08/462990208.db2.gz MMHPHUHAESAVLJ-UHFFFAOYSA-N 0 0 330.369 2.372 40 0 EEABRN CC(C)(CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1 ZINC000134059225 462999054 /nfs/dbraw/zinc/99/90/54/462999054.db2.gz KQBQVWQJZSRJDI-UHFFFAOYSA-N 0 0 344.459 2.013 40 0 EEABRN C[C@H](Cc1ccccc1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000017420288 463000659 /nfs/dbraw/zinc/00/06/59/463000659.db2.gz SNBLVHDGFSGLBB-CQSZACIVSA-N 0 0 336.391 2.372 40 0 EEABRN CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019018658 463013096 /nfs/dbraw/zinc/01/30/96/463013096.db2.gz NPOTVSUQDUQEBT-CQSZACIVSA-N 0 0 344.459 2.133 40 0 EEABRN Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCO2)on1 ZINC000019122622 463014106 /nfs/dbraw/zinc/01/41/06/463014106.db2.gz SFQZVZUTHXKYRT-CQSZACIVSA-N 0 0 329.404 2.043 40 0 EEABRN Cc1oncc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000096025900 463142309 /nfs/dbraw/zinc/14/23/09/463142309.db2.gz WIXCSAPJSBKLTA-UHFFFAOYSA-N 0 0 345.374 2.404 40 0 EEABRN CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(F)cc1OC ZINC000096041476 463146464 /nfs/dbraw/zinc/14/64/64/463146464.db2.gz MUJGKCRWFSIZMR-HDMKZQKVSA-N 0 0 337.391 2.172 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1C(N)=O ZINC000078768679 463147652 /nfs/dbraw/zinc/14/76/52/463147652.db2.gz VINPHPRCARRORM-AWEZNQCLSA-N 0 0 348.399 2.228 40 0 EEABRN CSc1nc(C)c(CCC(=O)O[C@H]2C(=O)OCC2(C)C)c(C)n1 ZINC000078768585 463148037 /nfs/dbraw/zinc/14/80/37/463148037.db2.gz OTAUUEICTXRFMQ-ZDUSSCGKSA-N 0 0 338.429 2.243 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C[C@H]3O2)[nH]1 ZINC000096046222 463150384 /nfs/dbraw/zinc/15/03/84/463150384.db2.gz WOXVGZSREGEVGQ-NUEKZKHPSA-N 0 0 344.390 2.173 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)n1 ZINC000096048580 463151972 /nfs/dbraw/zinc/15/19/72/463151972.db2.gz UCAFMCPZAWXRAN-QAPCUYQASA-N 0 0 326.400 2.223 40 0 EEABRN Cc1ccc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)o1 ZINC000096055273 463157628 /nfs/dbraw/zinc/15/76/28/463157628.db2.gz ALAYWEHQIYBXPS-HYVNUMGLSA-N 0 0 329.400 2.436 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccco1)C2 ZINC000096060757 463161884 /nfs/dbraw/zinc/16/18/84/463161884.db2.gz DFTKPQBCVKIVKR-AWEZNQCLSA-N 0 0 339.399 2.119 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)no1 ZINC000096066488 463165015 /nfs/dbraw/zinc/16/50/15/463165015.db2.gz BFMAAMHPFCJQTK-IACUBPJLSA-N 0 0 344.371 2.236 40 0 EEABRN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cccc(Cl)n1 ZINC000078910668 463165723 /nfs/dbraw/zinc/16/57/23/463165723.db2.gz XZADAUBMFZKTJT-LBPRGKRZSA-N 0 0 341.864 2.412 40 0 EEABRN CCOC[C@H]1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21 ZINC000096068632 463165895 /nfs/dbraw/zinc/16/58/95/463165895.db2.gz MBAFHPWJFKTIFD-OAHLLOKOSA-N 0 0 343.427 2.270 40 0 EEABRN Cc1ncsc1C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000078918198 463166893 /nfs/dbraw/zinc/16/68/93/463166893.db2.gz YZWYBKDEBHRKAY-MRXNPFEDSA-N 0 0 345.468 2.125 40 0 EEABRN Cc1ccc(CN(C(=O)C2CC(=O)NC(=O)C2)c2ccc(F)cc2)o1 ZINC000078914593 463166964 /nfs/dbraw/zinc/16/69/64/463166964.db2.gz KJXYOJSNTAWSMV-UHFFFAOYSA-N 0 0 344.342 2.313 40 0 EEABRN COc1cccc(N2C[C@]3(CCN(c4ccc(C)nn4)C3)CC2=O)c1 ZINC000096077479 463169249 /nfs/dbraw/zinc/16/92/49/463169249.db2.gz VIBQPYLTNAAXOU-LJQANCHMSA-N 0 0 338.411 2.427 40 0 EEABRN CC1CCC2(CC1)NC(=O)N(CC(=O)OC[C@H]1CC=CCC1)C2=O ZINC000068740878 463170427 /nfs/dbraw/zinc/17/04/27/463170427.db2.gz PHUFPFRQCDRVTQ-FVRSWCFKSA-N 0 0 334.416 2.387 40 0 EEABRN CN1C(=O)C[C@H](c2ccncc2)C12CCN(C(=O)CC1CC1)CC2 ZINC000096087455 463171089 /nfs/dbraw/zinc/17/10/89/463171089.db2.gz ILXJXTYEISKGOV-MRXNPFEDSA-N 0 0 327.428 2.189 40 0 EEABRN CCCNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000096101030 463173053 /nfs/dbraw/zinc/17/30/53/463173053.db2.gz YLLLVRLXKFJMNX-LBPRGKRZSA-N 0 0 345.399 2.015 40 0 EEABRN COC[C@@H]1COCCC12CCN(C(=O)COC1CCCC1)CC2 ZINC000096106350 463173911 /nfs/dbraw/zinc/17/39/11/463173911.db2.gz YGGWLZDPCJGXAB-OAHLLOKOSA-N 0 0 325.449 2.237 40 0 EEABRN Fc1cnc(N2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)nc1 ZINC000096106754 463175020 /nfs/dbraw/zinc/17/50/20/463175020.db2.gz UVXGDLHVXAWXAL-MRXNPFEDSA-N 0 0 344.390 2.355 40 0 EEABRN O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096109056 463176661 /nfs/dbraw/zinc/17/66/61/463176661.db2.gz RWHYYDRMRKLYRH-QAPCUYQASA-N 0 0 344.436 2.240 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CC[C@H](c4nc(C)no4)O3)CC2)on1 ZINC000096109990 463178918 /nfs/dbraw/zinc/17/89/18/463178918.db2.gz HSIMSNNVZLOMLP-GFCCVEGCSA-N 0 0 332.360 2.201 40 0 EEABRN Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)Cn1cncn1 ZINC000079028820 463180592 /nfs/dbraw/zinc/18/05/92/463180592.db2.gz RJSUIKBHAKMAAL-JTQLQIEISA-N 0 0 325.319 2.398 40 0 EEABRN C[C@@H]1CN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C[C@H](C)O1 ZINC000096146875 463185494 /nfs/dbraw/zinc/18/54/94/463185494.db2.gz HMLMCPPBFZFTEL-PHIMTYICSA-N 0 0 349.456 2.082 40 0 EEABRN CCN(CC)C(=O)c1nc2c(s1)CCN(c1ncccn1)CC2 ZINC000096147055 463186422 /nfs/dbraw/zinc/18/64/22/463186422.db2.gz MGMICMUBILLBTR-UHFFFAOYSA-N 0 0 331.445 2.020 40 0 EEABRN CCOC[C@@H](O)CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000079099858 463188602 /nfs/dbraw/zinc/18/86/02/463188602.db2.gz HWZZQTKOSPVHRP-GJZGRUSLSA-N 0 0 344.249 2.220 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161395 463192680 /nfs/dbraw/zinc/19/26/80/463192680.db2.gz YEZVQLRGOXJNAI-CRAIPNDOSA-N 0 0 326.421 2.494 40 0 EEABRN COCCN1c2ccccc2C2(CCN(C(=O)CC3CC3)CC2)C1=O ZINC000096161123 463192703 /nfs/dbraw/zinc/19/27/03/463192703.db2.gz VVFFKICCOWPCNQ-UHFFFAOYSA-N 0 0 342.439 2.340 40 0 EEABRN Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096185911 463197284 /nfs/dbraw/zinc/19/72/84/463197284.db2.gz IRUCRJXETMLAHO-BFYDXBDKSA-N 0 0 345.468 2.248 40 0 EEABRN O=C1CC[C@H]2[C@H](CCN2Cc2nccs2)N1Cc1ccncc1 ZINC000096186393 463197635 /nfs/dbraw/zinc/19/76/35/463197635.db2.gz FSSBAWCARZKHPR-GJZGRUSLSA-N 0 0 328.441 2.304 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096187286 463198449 /nfs/dbraw/zinc/19/84/49/463198449.db2.gz PQWKTQZLHHYPBT-RBSFLKMASA-N 0 0 344.440 2.299 40 0 EEABRN Cc1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)cc1 ZINC000096197283 463203376 /nfs/dbraw/zinc/20/33/76/463203376.db2.gz XYPYAGRIXLVZTE-UHFFFAOYSA-N 0 0 326.444 2.040 40 0 EEABRN C[C@@H]1CN(C(=O)C2CCOCC2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201806 463206775 /nfs/dbraw/zinc/20/67/75/463206775.db2.gz OOVIEZNVKXJYOO-FZKQIMNGSA-N 0 0 348.468 2.376 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)[C@H]2C ZINC000096201576 463207573 /nfs/dbraw/zinc/20/75/73/463207573.db2.gz SOLQEURAXPRBJF-AWEZNQCLSA-N 0 0 346.427 2.220 40 0 EEABRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccsc1)CC2 ZINC000079361253 463208395 /nfs/dbraw/zinc/20/83/95/463208395.db2.gz FQXADLISCOXPAQ-UHFFFAOYSA-N 0 0 336.438 2.201 40 0 EEABRN O=C([O-])C[N@H+](C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391622 463210920 /nfs/dbraw/zinc/21/09/20/463210920.db2.gz IAXGDHSYRVEEGF-UHFFFAOYSA-N 0 0 332.400 2.337 40 0 EEABRN Cn1ccc(C(=O)N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)n1 ZINC000096218138 463214899 /nfs/dbraw/zinc/21/48/99/463214899.db2.gz OLUWLLMEBIMWSN-MRXNPFEDSA-N 0 0 347.459 2.106 40 0 EEABRN CC(C)NC(=O)N1CCC[C@@]2(C1)COCCN(c1nccs1)C2 ZINC000096229243 463222043 /nfs/dbraw/zinc/22/20/43/463222043.db2.gz TYZBUNDKOPZFJP-INIZCTEOSA-N 0 0 338.477 2.180 40 0 EEABRN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227570 463222577 /nfs/dbraw/zinc/22/25/77/463222577.db2.gz AJBVVFHWDJNHNZ-QFBILLFUSA-N 0 0 342.443 2.062 40 0 EEABRN O=C(CC1CC1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239705 463224472 /nfs/dbraw/zinc/22/44/72/463224472.db2.gz GKVMEPAAFIQCHF-MRXNPFEDSA-N 0 0 336.386 2.341 40 0 EEABRN COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2=O)cc1 ZINC000096245354 463226067 /nfs/dbraw/zinc/22/60/67/463226067.db2.gz ITPFRVRPUFENDU-ZBFHGGJFSA-N 0 0 340.379 2.019 40 0 EEABRN CC(C)Nc1nc2c(c(NC3CC3)n1)CN(C(=O)NC1CC1)CC2 ZINC000096254198 463228132 /nfs/dbraw/zinc/22/81/32/463228132.db2.gz YIMGLQYNLBZYQD-UHFFFAOYSA-N 0 0 330.436 2.101 40 0 EEABRN Cn1cc(-c2ncnc3c2CCN(C(=O)c2cccs2)CC3)cn1 ZINC000096255215 463228465 /nfs/dbraw/zinc/22/84/65/463228465.db2.gz CTTYSIDZHJRLCP-UHFFFAOYSA-N 0 0 339.424 2.180 40 0 EEABRN CCOCc1ncn2c1CN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000096260153 463230368 /nfs/dbraw/zinc/23/03/68/463230368.db2.gz DZESLKZBFLGREJ-UHFFFAOYSA-N 0 0 329.400 2.013 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000096405570 463239234 /nfs/dbraw/zinc/23/92/34/463239234.db2.gz OBNLYENHJDKURI-DLBZAZTESA-N 0 0 348.410 2.265 40 0 EEABRN C/C(=C\C(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccccc1C ZINC000096406340 463239648 /nfs/dbraw/zinc/23/96/48/463239648.db2.gz RYDCUGJJOZEMQN-GXDHUFHOSA-N 0 0 344.436 2.362 40 0 EEABRN CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096410604 463243415 /nfs/dbraw/zinc/24/34/15/463243415.db2.gz MKSNATKSBOAUDF-HNNXBMFYSA-N 0 0 349.410 2.382 40 0 EEABRN CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000096413622 463245849 /nfs/dbraw/zinc/24/58/49/463245849.db2.gz KXPWPMLANFRIMU-RFAUZJTJSA-N 0 0 330.787 2.331 40 0 EEABRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCN1CCOCC1 ZINC000096413271 463246118 /nfs/dbraw/zinc/24/61/18/463246118.db2.gz OAKAZROFAJEVKW-CQSZACIVSA-N 0 0 339.867 2.245 40 0 EEABRN CCNS(=O)(=O)CCNC(=O)C1(c2cccs2)CCCCC1 ZINC000096414439 463247113 /nfs/dbraw/zinc/24/71/13/463247113.db2.gz IAQMWQRFPZXTBN-UHFFFAOYSA-N 0 0 344.502 2.006 40 0 EEABRN CC(=O)N(C)c1ccc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000158739584 463250480 /nfs/dbraw/zinc/25/04/80/463250480.db2.gz XJYMABWZLABFBB-LLVKDONJSA-N 0 0 329.404 2.454 40 0 EEABRN O=C(c1cscn1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096418518 463250666 /nfs/dbraw/zinc/25/06/66/463250666.db2.gz WFGFTLCPZUAQJW-UHFFFAOYSA-N 0 0 325.397 2.049 40 0 EEABRN Cc1nnc([C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C(C)C)[nH]1 ZINC000096418571 463250701 /nfs/dbraw/zinc/25/07/01/463250701.db2.gz VHFKMJXIAWQNFD-INIZCTEOSA-N 0 0 341.415 2.367 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnn(C(C)(C)C)c1)CC2 ZINC000096420935 463251849 /nfs/dbraw/zinc/25/18/49/463251849.db2.gz SSHLBERAIYKZJR-CABCVRRESA-N 0 0 335.448 2.030 40 0 EEABRN C[C@H](c1cccnc1)N1CCN(CC(=O)N(C)Cc2ccco2)CC1 ZINC000096424279 463255016 /nfs/dbraw/zinc/25/50/16/463255016.db2.gz AUEBSWNVVHLBTN-MRXNPFEDSA-N 0 0 342.443 2.012 40 0 EEABRN Cc1cncc(C(=O)NCC(C)(C)CNC(=O)c2cncc(C)c2)c1 ZINC000096430992 463260436 /nfs/dbraw/zinc/26/04/36/463260436.db2.gz CZUVTPRGOGISTL-UHFFFAOYSA-N 0 0 340.427 2.279 40 0 EEABRN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)[C@@H](c2ccccc2)CO1 ZINC000096433372 463262449 /nfs/dbraw/zinc/26/24/49/463262449.db2.gz FCUFRCYUHWOKBL-DZGCQCFKSA-N 0 0 344.436 2.467 40 0 EEABRN CC(C)C(=O)Nc1cccc(CNC(=O)c2nccn3ccnc23)c1 ZINC000096436000 463263895 /nfs/dbraw/zinc/26/38/95/463263895.db2.gz YIKARRUTZCVEKO-UHFFFAOYSA-N 0 0 337.383 2.254 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCCCc2cnn(C)c2)C12CCCC2 ZINC000096439724 463266014 /nfs/dbraw/zinc/26/60/14/463266014.db2.gz XDRMOKAXRLRSKX-HZPDHXFCSA-N 0 0 334.464 2.390 40 0 EEABRN CC(C)(CCS(C)(=O)=O)CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096440711 463266649 /nfs/dbraw/zinc/26/66/49/463266649.db2.gz DGKBQSKQJQQNRT-KBPBESRZSA-N 0 0 330.494 2.421 40 0 EEABRN C[S@](=O)CCNC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000096440350 463267184 /nfs/dbraw/zinc/26/71/84/463267184.db2.gz DKYDBZDNDJEURH-LRTDBIEQSA-N 0 0 326.487 2.189 40 0 EEABRN CC(C)Oc1ccc2ccccc2c1CN1CCO[C@H](C(N)=O)C1 ZINC000096443301 463268635 /nfs/dbraw/zinc/26/86/35/463268635.db2.gz DNJZJRHYVNXIID-SFHVURJKSA-N 0 0 328.412 2.313 40 0 EEABRN C[C@@](NC(=O)C[C@@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454541 463273823 /nfs/dbraw/zinc/27/38/23/463273823.db2.gz WEYQKDOHHMTGIH-WFASDCNBSA-N 0 0 344.333 2.091 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000096455123 463275598 /nfs/dbraw/zinc/27/55/98/463275598.db2.gz HHNABHVCVXDCNN-YLQAJVPDSA-N 0 0 336.480 2.328 40 0 EEABRN CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 ZINC000096455290 463275656 /nfs/dbraw/zinc/27/56/56/463275656.db2.gz VNVSUISCAWOVEH-CQSZACIVSA-N 0 0 330.428 2.023 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000096461460 463276448 /nfs/dbraw/zinc/27/64/48/463276448.db2.gz LJOHDXBPBYMBAF-CXAGYDPISA-N 0 0 342.395 2.306 40 0 EEABRN Cc1noc(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000096470291 463279000 /nfs/dbraw/zinc/27/90/00/463279000.db2.gz FCGBWQMUASRUEM-RTBURBONSA-N 0 0 327.428 2.377 40 0 EEABRN CC[C@H](C)n1cnc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c1 ZINC000096471772 463279248 /nfs/dbraw/zinc/27/92/48/463279248.db2.gz MQXITZFCGBFEOW-UONOGXRCSA-N 0 0 337.445 2.430 40 0 EEABRN C[C@@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)N1CCSCC1 ZINC000096486916 463284680 /nfs/dbraw/zinc/28/46/80/463284680.db2.gz ZEBJMBBADHDHQP-GOEBONIOSA-N 0 0 338.473 2.225 40 0 EEABRN O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)[C@]1(O)CCSC1 ZINC000096487447 463284802 /nfs/dbraw/zinc/28/48/02/463284802.db2.gz KPOSRLWOPXEVGX-HNNXBMFYSA-N 0 0 337.832 2.010 40 0 EEABRN COC(=O)[C@@H]1CCCN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1 ZINC000096500426 463290796 /nfs/dbraw/zinc/29/07/96/463290796.db2.gz IEGGZFIYVMUTRE-LLVKDONJSA-N 0 0 344.333 2.241 40 0 EEABRN CC[C@@](Br)([C@@H](O)c1ccccc1F)S(C)(=O)=O ZINC000096521538 463294279 /nfs/dbraw/zinc/29/42/79/463294279.db2.gz YWRCFEAOWPJHQX-QWRGUYRKSA-N 0 0 325.199 2.405 40 0 EEABRN COC(=O)[C@@H](c1ccccc1C)N1CCN(C(=O)c2ccoc2)CC1 ZINC000097094867 463321845 /nfs/dbraw/zinc/32/18/45/463321845.db2.gz IPFIKEMGKIFSTA-QGZVFWFLSA-N 0 0 342.395 2.260 40 0 EEABRN COc1c(CNC(=O)N[C@H]2C[C@H]2c2ccccc2F)c(C)nn1C ZINC000097377857 463357140 /nfs/dbraw/zinc/35/71/40/463357140.db2.gz CMBMDGQTUJHCNH-WFASDCNBSA-N 0 0 332.379 2.232 40 0 EEABRN CC(=O)Oc1ccc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1 ZINC000033752532 463424096 /nfs/dbraw/zinc/42/40/96/463424096.db2.gz JWINJLPISXCWFG-UHFFFAOYSA-N 0 0 344.319 2.222 40 0 EEABRN Cn1cc(CCC(=O)NC2(c3cccc(F)c3)CCOCC2)cn1 ZINC000081367764 463426720 /nfs/dbraw/zinc/42/67/20/463426720.db2.gz ZPMVTHHATGHUAH-UHFFFAOYSA-N 0 0 331.391 2.314 40 0 EEABRN O=C(Nc1ccn(CCc2ccccn2)n1)N[C@@H]1CCCC[C@@H]1CO ZINC000081649471 463476814 /nfs/dbraw/zinc/47/68/14/463476814.db2.gz JFRLZEUDQVBXCC-GDBMZVCRSA-N 0 0 343.431 2.193 40 0 EEABRN O=S(=O)(c1cnccc1SC1CCCCC1)N1CCNCC1 ZINC000072210664 463482752 /nfs/dbraw/zinc/48/27/52/463482752.db2.gz ROYDDRWXOGYYSX-UHFFFAOYSA-N 0 0 341.502 2.100 40 0 EEABRN CN(C)C(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072377010 463509839 /nfs/dbraw/zinc/50/98/39/463509839.db2.gz FXKJTUPDLGAFLQ-INIZCTEOSA-N 0 0 339.443 2.341 40 0 EEABRN COc1ccc(C(C)(C)C)cc1CN1CCn2c(CO)nnc2C1 ZINC000057822846 463520915 /nfs/dbraw/zinc/52/09/15/463520915.db2.gz PTSHWYLEJLQJQJ-UHFFFAOYSA-N 0 0 330.432 2.092 40 0 EEABRN Cc1cnc(N2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000107226184 463562825 /nfs/dbraw/zinc/56/28/25/463562825.db2.gz NOZLWNYRFIWULU-CXAGYDPISA-N 0 0 329.379 2.169 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000084523276 463609362 /nfs/dbraw/zinc/60/93/62/463609362.db2.gz XQNSZHFJNFXZHV-PHIMTYICSA-N 0 0 328.434 2.241 40 0 EEABRN COc1ccc(CN(C)C(=O)c2cccnc2-n2cncn2)cc1F ZINC000044906832 463700900 /nfs/dbraw/zinc/70/09/00/463700900.db2.gz YXNFFRYESMHXIV-UHFFFAOYSA-N 0 0 341.346 2.082 40 0 EEABRN Cc1ccnc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257283636 463761369 /nfs/dbraw/zinc/76/13/69/463761369.db2.gz OZDBACLTJBZQIX-SFHVURJKSA-N 0 0 337.423 2.416 40 0 EEABRN CCn1cc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)cn1 ZINC000257287532 463762557 /nfs/dbraw/zinc/76/25/57/463762557.db2.gz PQJJHILQKMTCIF-INIZCTEOSA-N 0 0 328.416 2.041 40 0 EEABRN Cc1ncoc1C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257302744 463768927 /nfs/dbraw/zinc/76/89/27/463768927.db2.gz SEDBAWHVKOOURX-BZUAXINKSA-N 0 0 330.384 2.464 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 ZINC000257308081 463771756 /nfs/dbraw/zinc/77/17/56/463771756.db2.gz TVIMQWYDIKWLNG-INIZCTEOSA-N 0 0 337.383 2.183 40 0 EEABRN COCCC(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 ZINC000257313316 463773592 /nfs/dbraw/zinc/77/35/92/463773592.db2.gz URUPBDHJYWBHIM-HDJSIYSDSA-N 0 0 330.432 2.395 40 0 EEABRN CCn1cc(C(=O)N2CC[C@@H]3[C@H](C2)CCCCN3C(C)=O)c(C)n1 ZINC000257335852 463782157 /nfs/dbraw/zinc/78/21/57/463782157.db2.gz YMDMXTRSASTZKQ-DOTOQJQBSA-N 0 0 332.448 2.075 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccccc2OC)n1 ZINC000257344651 463787966 /nfs/dbraw/zinc/78/79/66/463787966.db2.gz ZYEGCLKHJPGBNE-AWEZNQCLSA-N 0 0 342.399 2.049 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260800767 463791820 /nfs/dbraw/zinc/79/18/20/463791820.db2.gz WSYHMUHOJBIUEZ-MNOVXSKESA-N 0 0 348.415 2.424 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260892740 463792123 /nfs/dbraw/zinc/79/21/23/463792123.db2.gz FHMFTZLYUKHNJO-ZIAGYGMSSA-N 0 0 326.462 2.310 40 0 EEABRN C[C@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1n1ccnc1 ZINC000194208990 463815240 /nfs/dbraw/zinc/81/52/40/463815240.db2.gz WZHWBANBXYIEBW-ZFWWWQNUSA-N 0 0 336.399 2.392 40 0 EEABRN Cc1ncc(CNc2ccc(C(=O)N3CCN(C)CC3)cc2)s1 ZINC000283259309 463823261 /nfs/dbraw/zinc/82/32/61/463823261.db2.gz FBIWJFJFJXWWQY-UHFFFAOYSA-N 0 0 330.457 2.451 40 0 EEABRN Oc1cccc(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 ZINC000277359547 463912758 /nfs/dbraw/zinc/91/27/58/463912758.db2.gz GWNXSHXLKLBLED-UHFFFAOYSA-N 0 0 339.443 2.105 40 0 EEABRN O=C(NCc1cc2cc(F)ccc2s1)N[C@@H]1CCc2ncnn2C1 ZINC000171869105 463939980 /nfs/dbraw/zinc/93/99/80/463939980.db2.gz UPRZKBKGPWIVTE-GFCCVEGCSA-N 0 0 345.403 2.446 40 0 EEABRN C[S@](=O)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000195564972 464077985 /nfs/dbraw/zinc/07/79/85/464077985.db2.gz YCKYJVCWXATKKR-SWHMAYCHSA-N 0 0 336.457 2.181 40 0 EEABRN C[C@H](CCNC(=O)N[C@H]1CCCOc2c(F)cccc21)[S@](C)=O ZINC000211277941 464102749 /nfs/dbraw/zinc/10/27/49/464102749.db2.gz ICUWJKYCADFOFC-IXNJGMSNSA-N 0 0 342.436 2.496 40 0 EEABRN CC(C)NC(=O)C1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 ZINC000223210102 464139285 /nfs/dbraw/zinc/13/92/85/464139285.db2.gz OXXUPCHQFQUOSM-UHFFFAOYSA-N 0 0 328.412 2.226 40 0 EEABRN CCOc1ccc(CN2CCN(C)[C@@H](c3nccn3C)C2)cc1F ZINC000279754006 464141969 /nfs/dbraw/zinc/14/19/69/464141969.db2.gz YZKTYUHZMRLAKL-MRXNPFEDSA-N 0 0 332.423 2.447 40 0 EEABRN CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000223407571 464142144 /nfs/dbraw/zinc/14/21/44/464142144.db2.gz JKTJNGMMCCVFAD-UHFFFAOYSA-N 0 0 336.413 2.158 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCO)c1ccccc1 ZINC000223471420 464143996 /nfs/dbraw/zinc/14/39/96/464143996.db2.gz ABCJGXHNJNTRDL-GOSISDBHSA-N 0 0 344.386 2.024 40 0 EEABRN Cc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1C ZINC000224172145 464148121 /nfs/dbraw/zinc/14/81/21/464148121.db2.gz ZRYAOWWQUPJIBO-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCCC2)n1 ZINC000224199104 464149969 /nfs/dbraw/zinc/14/99/69/464149969.db2.gz DMHADICSBIJGMB-AWEZNQCLSA-N 0 0 326.400 2.161 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)Cc2ccc(C)cc2)s1 ZINC000224841485 464152782 /nfs/dbraw/zinc/15/27/82/464152782.db2.gz JDOYEWAUWBGARE-UHFFFAOYSA-N 0 0 337.426 2.293 40 0 EEABRN CCc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O ZINC000225191383 464153875 /nfs/dbraw/zinc/15/38/75/464153875.db2.gz ZYGIFLWNJGPMBD-ZDUSSCGKSA-N 0 0 326.462 2.176 40 0 EEABRN Nc1cc(C(=O)NC2CC2)ccc1N1CCN(c2ccccc2)CC1 ZINC000225441222 464160167 /nfs/dbraw/zinc/16/01/67/464160167.db2.gz ISRDOSGKTMVVRV-UHFFFAOYSA-N 0 0 336.439 2.488 40 0 EEABRN O=C([C@@H]1CCc2nc[nH]c2C1)N1CCN(c2ccccc2F)CC1 ZINC000225508619 464166947 /nfs/dbraw/zinc/16/69/47/464166947.db2.gz ZFCJXJYYQCGZIY-CYBMUJFWSA-N 0 0 328.391 2.003 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1CCC([C@H](C)NC(C)=O)CC1 ZINC000225523642 464169723 /nfs/dbraw/zinc/16/97/23/464169723.db2.gz SOFDRIUPDBXOJH-ZDUSSCGKSA-N 0 0 338.473 2.221 40 0 EEABRN O=C(NCCOc1ccccc1)c1cc(N2CCCCC2)ncn1 ZINC000225538585 464171107 /nfs/dbraw/zinc/17/11/07/464171107.db2.gz LFFDELCZJGMRRL-UHFFFAOYSA-N 0 0 326.400 2.276 40 0 EEABRN CC[C@@H](C(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1)c1ccccc1 ZINC000225559395 464172511 /nfs/dbraw/zinc/17/25/11/464172511.db2.gz WQTNQFOPMKPVFC-OAHLLOKOSA-N 0 0 340.427 2.408 40 0 EEABRN O=S(=O)(c1ccccc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238949663 464441435 /nfs/dbraw/zinc/44/14/35/464441435.db2.gz WTRUZOMFNUQDHV-VIFPVBQESA-N 0 0 347.318 2.267 40 0 EEABRN CC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000245284920 464470038 /nfs/dbraw/zinc/47/00/38/464470038.db2.gz UXBXBNNGYIXIFI-IUIKQTSFSA-N 0 0 340.379 2.167 40 0 EEABRN Cn1cncc1CCC(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000189365875 464486494 /nfs/dbraw/zinc/48/64/94/464486494.db2.gz FFNNETOGOHKSSM-UHFFFAOYSA-N 0 0 341.459 2.445 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)NCc2nc(-c3ccncc3)no2)c1 ZINC000175205288 464503687 /nfs/dbraw/zinc/50/36/87/464503687.db2.gz ZGEQGYYOWDRPQL-UHFFFAOYSA-N 0 0 348.359 2.058 40 0 EEABRN O=S(=O)(c1ccc2c(c1)OCO2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000182569215 464685163 /nfs/dbraw/zinc/68/51/63/464685163.db2.gz RVOJQEIQJNFPRH-SECBINFHSA-N 0 0 337.319 2.378 40 0 EEABRN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1)c1ccco1 ZINC000247489343 464685450 /nfs/dbraw/zinc/68/54/50/464685450.db2.gz LVNNOTDGGPRCMR-ZOBUZTSGSA-N 0 0 330.384 2.282 40 0 EEABRN COCC[C@@H]1CCOC2(CN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000247835826 464709019 /nfs/dbraw/zinc/70/90/19/464709019.db2.gz JGADMDFDZASCQU-CQSZACIVSA-N 0 0 337.391 2.249 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)nn1 ZINC000247953696 464716144 /nfs/dbraw/zinc/71/61/44/464716144.db2.gz ZEOUKNJXUTXGRO-QGZVFWFLSA-N 0 0 340.427 2.443 40 0 EEABRN Cc1nc(CN2Cc3ccnn3[C@H](CC(=O)N3CCCC3)C2)cs1 ZINC000247952265 464716225 /nfs/dbraw/zinc/71/62/25/464716225.db2.gz KNQSLAABLHFHJM-MRXNPFEDSA-N 0 0 345.472 2.217 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NC1CCCC1)CN(Cc1nccs1)C2 ZINC000248003347 464722724 /nfs/dbraw/zinc/72/27/24/464722724.db2.gz BHTXOOVYYUQYBG-ZDUSSCGKSA-N 0 0 345.472 2.035 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](Oc2cccnc2)CS3)n(C)n1 ZINC000248039768 464725081 /nfs/dbraw/zinc/72/50/81/464725081.db2.gz NYYQMINFRRJBEH-INIZCTEOSA-N 0 0 330.457 2.262 40 0 EEABRN COc1ccc(C(=O)N2CC3(C2)C[C@@H](OCC2CC2)CCO3)cc1 ZINC000248145252 464734239 /nfs/dbraw/zinc/73/42/39/464734239.db2.gz SHIFOVWHWRSJHK-KRWDZBQOSA-N 0 0 331.412 2.495 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](Cc1ccccc1)C(C)C ZINC000191160779 464788589 /nfs/dbraw/zinc/78/85/89/464788589.db2.gz PWVJRJPSOYMFMH-DLBZAZTESA-N 0 0 331.460 2.421 40 0 EEABRN O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249574971 464891853 /nfs/dbraw/zinc/89/18/53/464891853.db2.gz ABHYOYNAXAHRGT-RCCFBDPRSA-N 0 0 340.427 2.298 40 0 EEABRN CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)NC(C)(C)C)C2)c(=O)c1 ZINC000252491710 464966238 /nfs/dbraw/zinc/96/62/38/464966238.db2.gz LRHFJKJUCZDLFX-CQSZACIVSA-N 0 0 349.479 2.233 40 0 EEABRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccoc1Br ZINC000252494130 464967463 /nfs/dbraw/zinc/96/74/63/464967463.db2.gz NLWYNKODDMSEHG-QMMMGPOBSA-N 0 0 331.210 2.417 40 0 EEABRN CC[C@@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)N1CCO[C@H](CC)C1 ZINC000252493727 464968310 /nfs/dbraw/zinc/96/83/10/464968310.db2.gz NFLMZBXGTURPAT-OWCLPIDISA-N 0 0 334.464 2.353 40 0 EEABRN O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000252498912 464971386 /nfs/dbraw/zinc/97/13/86/464971386.db2.gz RQBIOQPEAYACIH-JKSUJKDBSA-N 0 0 341.415 2.120 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN([C@@H](C)c3ccccn3)CC2)n1 ZINC000192784955 464995904 /nfs/dbraw/zinc/99/59/04/464995904.db2.gz YDLXUVFUAOCLLB-GJZGRUSLSA-N 0 0 327.432 2.325 40 0 EEABRN CCO[C@H]1Cn2cccc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000253384049 464996306 /nfs/dbraw/zinc/99/63/06/464996306.db2.gz NNBVAWLGGJSFQL-INIZCTEOSA-N 0 0 342.395 2.207 40 0 EEABRN CCSCCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000253394480 464999303 /nfs/dbraw/zinc/99/93/03/464999303.db2.gz FSBPGAOJXNHWFC-LBPRGKRZSA-N 0 0 325.482 2.159 40 0 EEABRN CNc1nc(C)cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)n1 ZINC000253418037 465005517 /nfs/dbraw/zinc/00/55/17/465005517.db2.gz DDKVMHSYVYHSAD-INIZCTEOSA-N 0 0 340.427 2.301 40 0 EEABRN COc1ccc(-c2noc(Cn3cnc(-c4ccccn4)n3)n2)cc1 ZINC000371259305 465673080 /nfs/dbraw/zinc/67/30/80/465673080.db2.gz GZFKFJBNNWNBBY-UHFFFAOYSA-N 0 0 334.339 2.447 40 0 EEABRN CC[C@@H](C)n1nc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000331561136 466141251 /nfs/dbraw/zinc/14/12/51/466141251.db2.gz FWRXYDHMHCGXPR-HIFRSBDPSA-N 0 0 342.447 2.351 40 0 EEABRN Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ncn1 ZINC000302726103 466173409 /nfs/dbraw/zinc/17/34/09/466173409.db2.gz SBSJYCAXEBFTRC-UHFFFAOYSA-N 0 0 344.366 2.372 40 0 EEABRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C2CC=CC2)n1 ZINC000306140436 466494367 /nfs/dbraw/zinc/49/43/67/466494367.db2.gz UTQDDHWRSLTMSF-DLBZAZTESA-N 0 0 325.412 2.058 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000575404398 468141774 /nfs/dbraw/zinc/14/17/74/468141774.db2.gz LYCZPULROVWYKR-FHLIZLRMSA-N 0 0 325.412 2.467 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605020 468145389 /nfs/dbraw/zinc/14/53/89/468145389.db2.gz KNYIUVISFHEYSG-LBPRGKRZSA-N 0 0 336.779 2.418 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](COc1cccnc1)CN2C ZINC000585093836 468963155 /nfs/dbraw/zinc/96/31/55/468963155.db2.gz IMJMTYBYJCADQT-HNNXBMFYSA-N 0 0 341.411 2.208 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C ZINC000585097032 468965532 /nfs/dbraw/zinc/96/55/32/468965532.db2.gz DWQIJMWYQJCTPC-OAHLLOKOSA-N 0 0 344.459 2.163 40 0 EEABRN O=C(OCCF)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccc(F)c1F ZINC000585108898 468973647 /nfs/dbraw/zinc/97/36/47/468973647.db2.gz CLXIWIFQIXRHML-STQMWFEESA-N 0 0 342.317 2.246 40 0 EEABRN COc1ccccc1-c1n[nH]c2c1CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000585110447 468973842 /nfs/dbraw/zinc/97/38/42/468973842.db2.gz XPVOQZJBZFAUPJ-QGZVFWFLSA-N 0 0 341.411 2.192 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 ZINC000585111260 468974915 /nfs/dbraw/zinc/97/49/15/468974915.db2.gz LSLBFNKMAORYGW-XJKSGUPXSA-N 0 0 339.443 2.197 40 0 EEABRN O=C(N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1)C1(F)CCC1 ZINC000585113547 468975799 /nfs/dbraw/zinc/97/57/99/468975799.db2.gz HYLLJIGYEBGVDA-QGZVFWFLSA-N 0 0 333.407 2.029 40 0 EEABRN CO[C@H]1CCN(C(=O)Cc2nonc2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585269012 468997943 /nfs/dbraw/zinc/99/79/43/468997943.db2.gz HLBDTXSQFZEGLB-PBHICJAKSA-N 0 0 347.390 2.166 40 0 EEABRN Cc1nccc(N2CCO[C@](CO)(Cc3ccc(Cl)cc3)C2)n1 ZINC000585275230 468999481 /nfs/dbraw/zinc/99/94/81/468999481.db2.gz AUPWIMHKERNFPV-QGZVFWFLSA-N 0 0 333.819 2.249 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@](O)(COc3cccc(C)c3)C2)c1C ZINC000585275549 468999573 /nfs/dbraw/zinc/99/95/73/468999573.db2.gz CPNVZOISCDGBPT-LJQANCHMSA-N 0 0 343.427 2.245 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)c2cc(C)no2)C1 ZINC000585276361 469000400 /nfs/dbraw/zinc/00/04/00/469000400.db2.gz IWUQMWAGLNYSBA-QGZVFWFLSA-N 0 0 334.347 2.432 40 0 EEABRN CO[C@H]1CCN(C(=O)Cn2cc(C)cn2)C[C@H]1Cc1ccccc1F ZINC000585277139 469001834 /nfs/dbraw/zinc/00/18/34/469001834.db2.gz LTWVDUOUWFBDSR-AEFFLSMTSA-N 0 0 345.418 2.437 40 0 EEABRN O=C(c1n[nH]cc1Cl)N1CCC[C@](O)(COc2ccccc2)C1 ZINC000585276631 469002366 /nfs/dbraw/zinc/00/23/66/469002366.db2.gz OMALTWXRRGATME-MRXNPFEDSA-N 0 0 335.791 2.109 40 0 EEABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)/C=C/c1ccccc1 ZINC000585278095 469003777 /nfs/dbraw/zinc/00/37/77/469003777.db2.gz QLBKNFLRRBCABL-HTSSDKKRSA-N 0 0 330.428 2.232 40 0 EEABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585278444 469003798 /nfs/dbraw/zinc/00/37/98/469003798.db2.gz SNAWMLZWFOETEX-SFHVURJKSA-N 0 0 329.400 2.120 40 0 EEABRN O=C(CSC1CCCC1)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC000390826657 485667539 /nfs/dbraw/zinc/66/75/39/485667539.db2.gz BAMYFSNXGSFMDM-GFCCVEGCSA-N 0 0 325.409 2.271 40 0 EEABRN COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000178601383 524740454 /nfs/dbraw/zinc/74/04/54/524740454.db2.gz CGSHUHQDPVGUTH-AWEZNQCLSA-N 0 0 341.816 2.361 40 0 EEABRN Cc1ccc(NC(=O)CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000245963758 525055682 /nfs/dbraw/zinc/05/56/82/525055682.db2.gz DHSOJMFERXAQFR-DLBZAZTESA-N 0 0 344.411 2.351 40 0 EEABRN O=C(NC[C@@H]1CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000078714984 526517533 /nfs/dbraw/zinc/51/75/33/526517533.db2.gz ILAATYLCYGSIJJ-IRXDYDNUSA-N 0 0 336.407 2.460 40 0 EEABRN CC(C)CSCCCNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000225784103 535255632 /nfs/dbraw/zinc/25/56/32/535255632.db2.gz LHXRRIQBKZWFTC-CYBMUJFWSA-N 0 0 327.494 2.266 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CCN2C)cc1 ZINC000257240907 536944620 /nfs/dbraw/zinc/94/46/20/536944620.db2.gz HVQZNQCWZDMEFL-QGZVFWFLSA-N 0 0 341.411 2.233 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257227900 537136346 /nfs/dbraw/zinc/13/63/46/537136346.db2.gz FRMPAGWSWQDVKS-CYBMUJFWSA-N 0 0 333.413 2.054 40 0 EEABRN Cc1c(Br)cccc1CCNc1ncnc2c1nnn2C ZINC000896020848 684807951 /nfs/dbraw/zinc/80/79/51/684807951.db2.gz FBRYNROWKMCRQX-UHFFFAOYSA-N 0 0 347.220 2.484 40 0 EEABRN Cc1nc2c(cnn2C)c(N2CC(c3nc(-c4ccccc4)no3)C2)n1 ZINC000896647488 685142982 /nfs/dbraw/zinc/14/29/82/685142982.db2.gz MRKPRPIKJOBNTD-UHFFFAOYSA-N 0 0 347.382 2.326 40 0 EEABRN O=C(CN1CCCC1=O)N1CCOc2c1cccc2C(F)(F)F ZINC000585140693 1194094260 /nfs/dbraw/zinc/09/42/60/1194094260.db2.gz IUXIIPSRYQIJBL-UHFFFAOYSA-N 0 0 328.290 2.053 40 0 EEABRN Cc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)o1 ZINC000254875611 1217682042 /nfs/dbraw/zinc/68/20/42/1217682042.db2.gz ZKFFOCRGVXAEMI-UHFFFAOYSA-N 0 0 327.340 2.406 40 0 EEABRN C[C@@H]1CC=C[C@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000585660599 792922404 /nfs/dbraw/zinc/92/24/04/792922404.db2.gz NHAQNKDEUQPSIX-UGFHNGPFSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN O=C(Cc1ccccc1Cl)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549167239 1121135490 /nfs/dbraw/zinc/13/54/90/1121135490.db2.gz MUEAVTUBSIWVJH-UHFFFAOYSA-N 0 0 334.803 2.037 40 0 EEABRN CN1CCc2ncnc(NCCc3ccnn3-c3ccccc3)c2C1 ZINC001548453814 1124296080 /nfs/dbraw/zinc/29/60/80/1124296080.db2.gz KRQFOAXNBSDIIU-UHFFFAOYSA-N 0 0 334.427 2.305 40 0 EEABRN Cc1nc(C2(NC(=O)C3=NO[C@@H](c4ccccc4)C3)CCC2)no1 ZINC000097695055 219048344 /nfs/dbraw/zinc/04/83/44/219048344.db2.gz RBHZJBKPFBFAIH-CQSZACIVSA-N 0 0 326.356 2.391 40 0 EEABRN Cc1nn(CC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)c2cc3occc3n21 ZINC000005149201 282302260 /nfs/dbraw/zinc/30/22/60/282302260.db2.gz VFFJJZWIYUHQQT-VXGBXAGGSA-N 0 0 342.399 2.340 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)c1cc(C(C)(C)C)nn1C ZINC000012145049 201829082 /nfs/dbraw/zinc/82/90/82/201829082.db2.gz XJJYZRHVFPWQGC-GFCCVEGCSA-N 0 0 340.431 2.281 40 0 EEABRN Cc1nc2ccc(C(=O)NCCNC(=O)c3ccccn3)cc2s1 ZINC000012204791 201832441 /nfs/dbraw/zinc/83/24/41/201832441.db2.gz HUBNZXZSAFYPAP-UHFFFAOYSA-N 0 0 340.408 2.160 40 0 EEABRN CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1COc1cccc(OC)c1 ZINC000012276059 201835776 /nfs/dbraw/zinc/83/57/76/201835776.db2.gz UBTVVPIVYFOHGL-WOSRLPQWSA-N 0 0 325.430 2.277 40 0 EEABRN COc1ccccc1CNC(=O)[C@H](C)n1cc2c(n1)C(=O)CCC2 ZINC000585123163 539980533 /nfs/dbraw/zinc/98/05/33/539980533.db2.gz YQFJGGINKXQOMA-LBPRGKRZSA-N 0 0 327.384 2.288 40 0 EEABRN Cn1nc(C2CCN(C(=O)Cc3ccccn3)CC2)c2cccnc21 ZINC000019289523 202002541 /nfs/dbraw/zinc/00/25/41/202002541.db2.gz TWEMTBJOEJHDLD-UHFFFAOYSA-N 0 0 335.411 2.312 40 0 EEABRN CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)C1CCCC1)C2 ZINC000019707368 202017125 /nfs/dbraw/zinc/01/71/25/202017125.db2.gz HDFNEWAFTRUYNQ-MRXNPFEDSA-N 0 0 343.475 2.360 40 0 EEABRN CCN(CC)CC[NH2+][C@H](CC(=O)Nc1cccc(C)c1C)C(=O)[O-] ZINC000023473241 202105019 /nfs/dbraw/zinc/10/50/19/202105019.db2.gz PTHVUIWIQXPRRK-MRXNPFEDSA-N 0 0 335.448 2.017 40 0 EEABRN COc1ncccc1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 ZINC000038904553 202149516 /nfs/dbraw/zinc/14/95/16/202149516.db2.gz VAPSNSRPSFFSQJ-UHFFFAOYSA-N 0 0 328.372 2.370 40 0 EEABRN CNc1nc2c(s1)n(CC(C)=O)c(=O)nc2-c1ccc(C)cc1 ZINC000032615796 202228814 /nfs/dbraw/zinc/22/88/14/202228814.db2.gz LOFZHIIDHCFOIW-UHFFFAOYSA-N 0 0 328.397 2.459 40 0 EEABRN Nc1nnnn1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000007602407 236894209 /nfs/dbraw/zinc/89/42/09/236894209.db2.gz MVXSLIIKGMMCKL-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN COC[C@@H](C)n1c(C)cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c1C ZINC000096461282 237061458 /nfs/dbraw/zinc/06/14/58/237061458.db2.gz HMSKDLNALLBQSN-JGGQBBKZSA-N 0 0 349.475 2.081 40 0 EEABRN COc1ccc(CNC(=O)NC[C@@H](O)C2CCCCC2)cc1OC ZINC000069221553 202273066 /nfs/dbraw/zinc/27/30/66/202273066.db2.gz HWPRLGLHVUGORN-OAHLLOKOSA-N 0 0 336.432 2.444 40 0 EEABRN Cc1nnnn1-c1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1F ZINC000069717311 202291304 /nfs/dbraw/zinc/29/13/04/202291304.db2.gz KTZKGUARJGMRMX-SNVBAGLBSA-N 0 0 341.350 2.388 40 0 EEABRN Cc1scc(C(=O)NN2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)c1C ZINC000035828044 202310735 /nfs/dbraw/zinc/31/07/35/202310735.db2.gz FGVOKSLJHOLXEW-WVKUQDAKSA-N 0 0 330.409 2.207 40 0 EEABRN Cc1noc(C)c1[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072563296 202365813 /nfs/dbraw/zinc/36/58/13/202365813.db2.gz RNGRBUXCXMYQAG-VIFPVBQESA-N 0 0 327.348 2.150 40 0 EEABRN Cc1ccoc1C(=O)NC1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000073213189 202368216 /nfs/dbraw/zinc/36/82/16/202368216.db2.gz AIKYQUJFBXEKMB-MRXNPFEDSA-N 0 0 342.395 2.042 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1C ZINC000073204100 202369097 /nfs/dbraw/zinc/36/90/97/202369097.db2.gz DYKQSKQVZXDYFB-ZDUSSCGKSA-N 0 0 337.383 2.476 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000072238075 202356552 /nfs/dbraw/zinc/35/65/52/202356552.db2.gz OIIPHNLCMGTVBP-MSOLQXFVSA-N 0 0 342.370 2.040 40 0 EEABRN COc1ccc2cc(NC(=O)CNC(=O)c3ccco3)cnc2c1 ZINC000072247612 202357896 /nfs/dbraw/zinc/35/78/96/202357896.db2.gz IORZXEXSFGVTJF-UHFFFAOYSA-N 0 0 325.324 2.205 40 0 EEABRN CC[C@@H](C(=O)Nc1cc(N2CCOCC2)ncn1)c1ccccc1 ZINC000075166238 202377926 /nfs/dbraw/zinc/37/79/26/202377926.db2.gz ATFBRRZXMSFXHL-OAHLLOKOSA-N 0 0 326.400 2.446 40 0 EEABRN Cn1ccnc1C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000075491422 202380727 /nfs/dbraw/zinc/38/07/27/202380727.db2.gz AYENJHIPVLJYFS-UHFFFAOYSA-N 0 0 327.310 2.182 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000077920981 202394205 /nfs/dbraw/zinc/39/42/05/202394205.db2.gz RXVZMLAVYUQYGV-MRXNPFEDSA-N 0 0 328.359 2.207 40 0 EEABRN CN(C)c1ncccc1NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000078066583 202394550 /nfs/dbraw/zinc/39/45/50/202394550.db2.gz IFWBGVVHOUUPAF-UHFFFAOYSA-N 0 0 326.335 2.120 40 0 EEABRN C[C@@H](CNc1nc2c(cnn2C)c(=O)[nH]1)Oc1ccccc1Cl ZINC000078467985 202395736 /nfs/dbraw/zinc/39/57/36/202395736.db2.gz ANYGZOCWIYQXFM-VIFPVBQESA-N 0 0 333.779 2.189 40 0 EEABRN C[C@@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000076480371 202388904 /nfs/dbraw/zinc/38/89/04/202388904.db2.gz NPRAOIRRDCTTAD-WDEREUQCSA-N 0 0 348.415 2.143 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC[S@]1=O ZINC000076951683 202388909 /nfs/dbraw/zinc/38/89/09/202388909.db2.gz ZSZZLKGGTYAELQ-XWZJAKOJSA-N 0 0 330.494 2.133 40 0 EEABRN CCO[C@@H](C)c1nc(CN2CCN(C(=O)NC3CC3)CC2)cs1 ZINC000080618225 202468878 /nfs/dbraw/zinc/46/88/78/202468878.db2.gz GYCBALGWUVYLQK-LBPRGKRZSA-N 0 0 338.477 2.230 40 0 EEABRN CN(C(=O)C(=O)Nc1cccnc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000190601124 238621011 /nfs/dbraw/zinc/62/10/11/238621011.db2.gz LBPXIIVRJCZESM-QGZVFWFLSA-N 0 0 338.411 2.148 40 0 EEABRN Cc1cnn(CCNC(=O)Cc2ccc(F)cc2Br)c1 ZINC000188166825 201045053 /nfs/dbraw/zinc/04/50/53/201045053.db2.gz PJLOMZMUWSSFBD-UHFFFAOYSA-N 0 0 340.196 2.452 40 0 EEABRN CC(C)[C@H](Cn1nccn1)NC(=O)c1cccc(Br)c1 ZINC000240178554 201152476 /nfs/dbraw/zinc/15/24/76/201152476.db2.gz YZYMYJCRLCBAJU-ZDUSSCGKSA-N 0 0 337.221 2.495 40 0 EEABRN C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000077931540 201183369 /nfs/dbraw/zinc/18/33/69/201183369.db2.gz NOZFOFGVAVWVDE-OKILXGFUSA-N 0 0 347.436 2.249 40 0 EEABRN CCc1sc(=O)n(CC(=O)NC[C@H]2CCCO2)c1-c1ccccc1 ZINC000151132306 201391607 /nfs/dbraw/zinc/39/16/07/201391607.db2.gz RZJFIJOGZYLBBS-CQSZACIVSA-N 0 0 346.452 2.434 40 0 EEABRN O=S(=O)(CCc1cccc(Cl)c1)c1nnnn1-c1ccccc1 ZINC000083308727 202514008 /nfs/dbraw/zinc/51/40/08/202514008.db2.gz WSKKYACJOAMOKH-UHFFFAOYSA-N 0 0 348.815 2.332 40 0 EEABRN CCCCn1nc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1=O ZINC000044868697 202528713 /nfs/dbraw/zinc/52/87/13/202528713.db2.gz MYALZVLPFFSOHM-CQSZACIVSA-N 0 0 327.384 2.297 40 0 EEABRN Cc1nc(CS(=O)(=O)c2nnc(-c3ccoc3C)n2C)cs1 ZINC000195108612 240831310 /nfs/dbraw/zinc/83/13/10/240831310.db2.gz ZVEFMKNZTBZCIV-UHFFFAOYSA-N 0 0 338.414 2.122 40 0 EEABRN C[C@@H](O)[C@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000195560204 241009690 /nfs/dbraw/zinc/00/96/90/241009690.db2.gz DNILYKQOQWIWQQ-YPMHNXCESA-N 0 0 341.249 2.404 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000195566098 241014291 /nfs/dbraw/zinc/01/42/91/241014291.db2.gz FRASQJUHHOGUSS-DOMZBBRYSA-N 0 0 349.406 2.031 40 0 EEABRN COC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218606720 241335393 /nfs/dbraw/zinc/33/53/93/241335393.db2.gz QMDVDWUIDPCAPX-FGTMMUONSA-N 0 0 349.427 2.418 40 0 EEABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000223919333 241707902 /nfs/dbraw/zinc/70/79/02/241707902.db2.gz ZDMMEYOSITVMKB-UHFFFAOYSA-N 0 0 336.388 2.226 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1F ZINC000225105670 241797697 /nfs/dbraw/zinc/79/76/97/241797697.db2.gz QKRFTTDDEZTSAG-UHFFFAOYSA-N 0 0 339.344 2.388 40 0 EEABRN CS(=O)(=O)N[C@H](CC(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000225952004 242079947 /nfs/dbraw/zinc/07/99/47/242079947.db2.gz UGQDWFMTDWHFLV-CQSZACIVSA-N 0 0 344.864 2.333 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736701 242012513 /nfs/dbraw/zinc/01/25/13/242012513.db2.gz ZVAQZPJAZZPMAT-JTQLQIEISA-N 0 0 336.335 2.046 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 ZINC000226747485 242110972 /nfs/dbraw/zinc/11/09/72/242110972.db2.gz GZIJZGJBIIKXHW-MRXNPFEDSA-N 0 0 332.429 2.298 40 0 EEABRN Cc1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c2nccc(C)c2c1 ZINC000252486868 243784020 /nfs/dbraw/zinc/78/40/20/243784020.db2.gz HPRNTOWDODLWLE-CYBMUJFWSA-N 0 0 334.441 2.357 40 0 EEABRN Nc1nccnc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091155016 203073354 /nfs/dbraw/zinc/07/33/54/203073354.db2.gz QIWGSPTWQZCQKY-WCQYABFASA-N 0 0 336.754 2.111 40 0 EEABRN Cc1cc(C2CCN(C(=O)[C@H]3CCCCO3)CC2)nc2ccnn21 ZINC000257204461 244131450 /nfs/dbraw/zinc/13/14/50/244131450.db2.gz AUSFQKMTCVFEOT-MRXNPFEDSA-N 0 0 328.416 2.313 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 ZINC000257208930 244143115 /nfs/dbraw/zinc/14/31/15/244143115.db2.gz BOCNHCCUJBWPBD-OAHLLOKOSA-N 0 0 333.432 2.109 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccccc3)n2)[C@H]1O ZINC000257212746 244158193 /nfs/dbraw/zinc/15/81/93/244158193.db2.gz CESYDGAGTYLZAK-FRFSOERESA-N 0 0 346.452 2.392 40 0 EEABRN C[C@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1)c1ccccc1 ZINC000072238958 203183821 /nfs/dbraw/zinc/18/38/21/203183821.db2.gz OTZOXNNFLXNMLB-ZDUSSCGKSA-N 0 0 328.397 2.307 40 0 EEABRN O=C(NC1CCOCC1)c1cnn2c1nccc2-c1ccc(F)cc1 ZINC000257221311 244183937 /nfs/dbraw/zinc/18/39/37/244183937.db2.gz DOLFNUITYLUQHD-UHFFFAOYSA-N 0 0 340.358 2.444 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000072382601 203210669 /nfs/dbraw/zinc/21/06/69/203210669.db2.gz GXNDZVZSCIYUIN-ZDUSSCGKSA-N 0 0 336.403 2.031 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCN(c3ncccn3)C2)n1 ZINC000072382748 203211054 /nfs/dbraw/zinc/21/10/54/203211054.db2.gz NEMAAIQHBSMUMI-ZDUSSCGKSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 ZINC000257244894 244254111 /nfs/dbraw/zinc/25/41/11/244254111.db2.gz INGTXRQVRCLYFI-AWEZNQCLSA-N 0 0 325.416 2.416 40 0 EEABRN COc1ccccc1[C@@H]1CN(Cc2ccncc2)CCN1C(C)=O ZINC000257235742 244229593 /nfs/dbraw/zinc/22/95/93/244229593.db2.gz GZEMTTCODJIVAU-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000257236867 244232965 /nfs/dbraw/zinc/23/29/65/244232965.db2.gz HECQEGHGMJRBCN-LLVKDONJSA-N 0 0 341.383 2.081 40 0 EEABRN Cc1cccc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 ZINC000072335531 203202341 /nfs/dbraw/zinc/20/23/41/203202341.db2.gz ICDHUANOHIGKLE-UHFFFAOYSA-N 0 0 339.443 2.022 40 0 EEABRN CN1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 ZINC000072338712 203203101 /nfs/dbraw/zinc/20/31/01/203203101.db2.gz YZLXDJDGWJDZAX-UHFFFAOYSA-N 0 0 338.440 2.414 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257239022 244237397 /nfs/dbraw/zinc/23/73/97/244237397.db2.gz HNOISXKQKGTVBF-CYBMUJFWSA-N 0 0 342.424 2.122 40 0 EEABRN COc1cccc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)c1 ZINC000257240445 244242064 /nfs/dbraw/zinc/24/20/64/244242064.db2.gz HTNJNQGBDYFGDX-MRXNPFEDSA-N 0 0 341.411 2.267 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cnc(Nc3cccc(C)n3)cn2)C1 ZINC000072362314 203206494 /nfs/dbraw/zinc/20/64/94/203206494.db2.gz DHYFZLWFPCUTGP-CQSZACIVSA-N 0 0 341.415 2.276 40 0 EEABRN C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)NCCO)ccc2O1 ZINC000257241908 244244477 /nfs/dbraw/zinc/24/44/77/244244477.db2.gz IAEVVWYWLKKZOL-LJQANCHMSA-N 0 0 329.371 2.484 40 0 EEABRN CCc1nccn1CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257247307 244260329 /nfs/dbraw/zinc/26/03/29/244260329.db2.gz IYJKEHPHLBPWQJ-OAHLLOKOSA-N 0 0 327.432 2.016 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)CO[C@H](Cc2ccc(F)cc2)C3)cn1 ZINC000257259716 244293590 /nfs/dbraw/zinc/29/35/90/244293590.db2.gz KZQLSRPZAIEWHI-MRXNPFEDSA-N 0 0 329.375 2.033 40 0 EEABRN Cc1nccc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257271739 244378719 /nfs/dbraw/zinc/37/87/19/244378719.db2.gz MZPSVWOEJXIXDA-MRXNPFEDSA-N 0 0 334.383 2.343 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257273427 244385429 /nfs/dbraw/zinc/38/54/29/244385429.db2.gz NGNPUKJBIKHDBS-CYBMUJFWSA-N 0 0 346.387 2.124 40 0 EEABRN Cc1ccc(CC(=O)N2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257323121 244524778 /nfs/dbraw/zinc/52/47/78/244524778.db2.gz WIVQMOJPFHTACD-CQSZACIVSA-N 0 0 333.413 2.003 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)c1 ZINC000257338408 244567567 /nfs/dbraw/zinc/56/75/67/244567567.db2.gz YXGRZXSHRHXHIZ-LBPRGKRZSA-N 0 0 343.383 2.219 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096039274 203799483 /nfs/dbraw/zinc/79/94/83/203799483.db2.gz OHOHIFAVRRUKGU-MJGOQNOKSA-N 0 0 347.411 2.002 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H]3OCC[C@@]3(COCC3CC3)C2)cs1 ZINC000096110362 203839146 /nfs/dbraw/zinc/83/91/46/203839146.db2.gz TURMKTDYPGCEMA-WBVHZDCISA-N 0 0 336.457 2.499 40 0 EEABRN Cc1occc1C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC000096069575 203821745 /nfs/dbraw/zinc/82/17/45/203821745.db2.gz JLAKLAMALUOAPE-INIZCTEOSA-N 0 0 339.395 2.262 40 0 EEABRN CN1CC[C@]2(CN(C(=O)c3cscn3)C[C@H]2c2ccccc2)C1=O ZINC000096070340 203822022 /nfs/dbraw/zinc/82/20/22/203822022.db2.gz YZDSEWSTCIDNJQ-KBXCAEBGSA-N 0 0 341.436 2.231 40 0 EEABRN CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096075147 203824755 /nfs/dbraw/zinc/82/47/55/203824755.db2.gz PMNHYRMTOGDMCH-SCLBCKFNSA-N 0 0 345.399 2.184 40 0 EEABRN O=C(C1CC1)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1 ZINC000096159985 203848361 /nfs/dbraw/zinc/84/83/61/203848361.db2.gz BDKKOJHPIPLTIG-WMLDXEAASA-N 0 0 336.457 2.467 40 0 EEABRN O=C(c1ccsc1)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 ZINC000096199720 203861965 /nfs/dbraw/zinc/86/19/65/203861965.db2.gz DUSLSYSXNRBZTR-OAHLLOKOSA-N 0 0 341.436 2.422 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCc2ccncc2)c(Br)c1 ZINC000042646410 204117780 /nfs/dbraw/zinc/11/77/80/204117780.db2.gz UYYQNXGXGMWQQJ-UHFFFAOYSA-N 0 0 348.200 2.407 40 0 EEABRN O=C(Cn1cc(Br)ccc1=O)Nc1ccc2c[nH]nc2c1 ZINC000047528223 204334292 /nfs/dbraw/zinc/33/42/92/204334292.db2.gz NZXJQSKZTGWTMN-UHFFFAOYSA-N 0 0 347.172 2.126 40 0 EEABRN CCc1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cn1 ZINC000155490850 206012384 /nfs/dbraw/zinc/01/23/84/206012384.db2.gz ZIWPAMFBXDYKIV-GFCCVEGCSA-N 0 0 340.383 2.039 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096048637 296276300 /nfs/dbraw/zinc/27/63/00/296276300.db2.gz ARVRAUAISBWKMG-LJQANCHMSA-N 0 0 339.395 2.330 40 0 EEABRN O=C(CCc1ccccn1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000095393867 218325979 /nfs/dbraw/zinc/32/59/79/218325979.db2.gz IJPOIWDOSTXXRN-GOSISDBHSA-N 0 0 337.423 2.020 40 0 EEABRN O=C(NCCNC(=O)C1CCCC1)N[C@@H](c1nccs1)C1CC1 ZINC000095404588 218339417 /nfs/dbraw/zinc/33/94/17/218339417.db2.gz JJSWAUQVAULPMZ-CYBMUJFWSA-N 0 0 336.461 2.200 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000012342537 207113526 /nfs/dbraw/zinc/11/35/26/207113526.db2.gz XDNPKQPWSKZECJ-MQYQWHSLSA-N 0 0 326.437 2.052 40 0 EEABRN CCS(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000175682717 207149029 /nfs/dbraw/zinc/14/90/29/207149029.db2.gz DQAWYWFJKWAOKC-UHFFFAOYSA-N 0 0 325.217 2.213 40 0 EEABRN O=C(Nc1ccnc2ccnn21)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000096404899 218754419 /nfs/dbraw/zinc/75/44/19/218754419.db2.gz PIEQZNSVQFTARJ-ZDUSSCGKSA-N 0 0 341.415 2.239 40 0 EEABRN CCn1c(-c2cccs2)nnc1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000177523135 207348871 /nfs/dbraw/zinc/34/88/71/207348871.db2.gz XQHPYVNLCKXFTR-NSHDSACASA-N 0 0 341.458 2.369 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000096423629 218790716 /nfs/dbraw/zinc/79/07/16/218790716.db2.gz IRSCIXDXCXFQBV-KYOSRNDESA-N 0 0 336.382 2.443 40 0 EEABRN C[C@H](CNC(=O)Cn1cccn1)Oc1cccc(Br)c1 ZINC000096431868 218807026 /nfs/dbraw/zinc/80/70/26/218807026.db2.gz YZHLHFNXVDGSHZ-LLVKDONJSA-N 0 0 338.205 2.229 40 0 EEABRN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000096432697 218808556 /nfs/dbraw/zinc/80/85/56/218808556.db2.gz CVDSLDSULGOSKU-QFYYESIMSA-N 0 0 343.395 2.357 40 0 EEABRN CCn1cnc(S(=O)(=O)N(C)Cc2cccc(OC(F)F)c2)c1 ZINC000096446598 218830067 /nfs/dbraw/zinc/83/00/67/218830067.db2.gz GWQJNUDRMJOMRZ-UHFFFAOYSA-N 0 0 345.371 2.325 40 0 EEABRN Cn1cc(-c2nc(C[S@](=O)C[C@@H]3CCCCO3)cs2)cn1 ZINC000096452475 218835824 /nfs/dbraw/zinc/83/58/24/218835824.db2.gz MCCBJJVBPIKIOR-YEJXKQKISA-N 0 0 325.459 2.361 40 0 EEABRN COC1(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CCOCC1 ZINC000096494737 218872505 /nfs/dbraw/zinc/87/25/05/218872505.db2.gz LHWJTRJOZBOQKU-UHFFFAOYSA-N 0 0 346.349 2.441 40 0 EEABRN C[C@@H](NC(=O)NCc1c(F)cccc1OC(F)F)c1nc[nH]n1 ZINC000097234488 219002518 /nfs/dbraw/zinc/00/25/18/219002518.db2.gz GVZGRSNBZKRDRG-SSDOTTSWSA-N 0 0 329.282 2.106 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000097374367 219017502 /nfs/dbraw/zinc/01/75/02/219017502.db2.gz LLNZZTJKHZQAJJ-GOSISDBHSA-N 0 0 341.455 2.440 40 0 EEABRN COC(=O)C1(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000097379795 219019816 /nfs/dbraw/zinc/01/98/16/219019816.db2.gz BNDJSBHPCBSOAD-UHFFFAOYSA-N 0 0 332.219 2.123 40 0 EEABRN COc1cc(S(=O)(=O)N(C)CCc2ncc(C)s2)ccc1F ZINC000190804124 533096130 /nfs/dbraw/zinc/09/61/30/533096130.db2.gz FXPMIAJUNNVHSH-UHFFFAOYSA-N 0 0 344.433 2.462 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC ZINC000408586518 257895538 /nfs/dbraw/zinc/89/55/38/257895538.db2.gz ORAVJZLPLLIZJL-UHFFFAOYSA-N 0 0 330.406 2.340 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccc(C)cc2)Cc2nnn(CC3CC3)c21 ZINC000096045573 285460080 /nfs/dbraw/zinc/46/00/80/285460080.db2.gz FCBVGBHTSKRAQM-MRXNPFEDSA-N 0 0 340.427 2.383 40 0 EEABRN CCOC[C@H]1CN(C(=O)N2CCCC2)Cc2ncn(CC3CC3)c21 ZINC000096060345 286181140 /nfs/dbraw/zinc/18/11/40/286181140.db2.gz CZNYQUHOBQJYFY-OAHLLOKOSA-N 0 0 332.448 2.445 40 0 EEABRN CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000243994268 160230035 /nfs/dbraw/zinc/23/00/35/160230035.db2.gz SEOXPUMTAQEBQY-UHFFFAOYSA-N 0 0 346.408 2.115 40 0 EEABRN C1Cc2nc(N3CCSCC3)nc(N3CCSCC3)c2S1 ZINC000283398068 275415268 /nfs/dbraw/zinc/41/52/68/275415268.db2.gz ACLZLBUUXZCYBW-UHFFFAOYSA-N 0 0 340.543 2.231 40 0 EEABRN CN1CC(=O)N[C@@H]2c3ccccc3N(Cc3ccccc3)C=C2C1=O ZINC000001612712 276883397 /nfs/dbraw/zinc/88/33/97/276883397.db2.gz BBGTYAXHQWOYRC-LJQANCHMSA-N 0 0 333.391 2.220 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000096474787 277565383 /nfs/dbraw/zinc/56/53/83/277565383.db2.gz NHBRSQDVHJUCBQ-HZMBPMFUSA-N 0 0 344.864 2.450 40 0 EEABRN O=C(c1cccs1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC000096050810 280217497 /nfs/dbraw/zinc/21/74/97/280217497.db2.gz DJDHAPWTCHGUQU-QGZVFWFLSA-N 0 0 327.409 2.412 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)N2CCSCC2)[C@@H]1c1cccc(F)c1 ZINC000072241969 289801435 /nfs/dbraw/zinc/80/14/35/289801435.db2.gz UMDQKTWHGQJLLQ-HOCLYGCPSA-N 0 0 336.432 2.311 40 0 EEABRN Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2COc3ccccc3O2)n1 ZINC000040714858 293958883 /nfs/dbraw/zinc/95/88/83/293958883.db2.gz JQISSKJASVNTGZ-SWLSCSKDSA-N 0 0 329.356 2.272 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000225581425 297974298 /nfs/dbraw/zinc/97/42/98/297974298.db2.gz KXMNKMJVNPSBJQ-IOASZLSFSA-N 0 0 338.473 2.096 40 0 EEABRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426301 298326235 /nfs/dbraw/zinc/32/62/35/298326235.db2.gz VRJSAMBBLXBRHT-CYBMUJFWSA-N 0 0 340.489 2.187 40 0 EEABRN O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000079310287 303852438 /nfs/dbraw/zinc/85/24/38/303852438.db2.gz XIMFDVDTZZMGRC-MGPQQGTHSA-N 0 0 327.833 2.137 40 0 EEABRN Cn1nccc1C1CCN(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000329872357 311706925 /nfs/dbraw/zinc/70/69/25/311706925.db2.gz DCPNWQZSWUZLDC-INIZCTEOSA-N 0 0 326.400 2.145 40 0 EEABRN CC(C)CN1C[C@@H](c2nc(Cc3ccc4c(c3)OCO4)no2)CC1=O ZINC000544987506 318200554 /nfs/dbraw/zinc/20/05/54/318200554.db2.gz HJZWPBZIOYSQND-ZDUSSCGKSA-N 0 0 343.383 2.361 40 0 EEABRN C[C@H]1NC(=S)N(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000071888430 323319714 /nfs/dbraw/zinc/31/97/14/323319714.db2.gz CAQHSTOLSHQANS-VXGBXAGGSA-N 0 0 341.477 2.129 40 0 EEABRN Cc1noc(CN2CCN(CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000097099767 323320483 /nfs/dbraw/zinc/32/04/83/323320483.db2.gz ANJYNFJKTUSQEY-UHFFFAOYSA-N 0 0 328.416 2.077 40 0 EEABRN CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](O)C1 ZINC000097371558 323321947 /nfs/dbraw/zinc/32/19/47/323321947.db2.gz XZCGHKVQFFPJQK-SNVBAGLBSA-N 0 0 329.194 2.446 40 0 EEABRN Cn1cc(C(N)=O)cc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000097374383 323322466 /nfs/dbraw/zinc/32/24/66/323322466.db2.gz IAQFXDOISSNQMP-UHFFFAOYSA-N 0 0 325.412 2.409 40 0 EEABRN CNC(=O)CNC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000194531324 323500349 /nfs/dbraw/zinc/50/03/49/323500349.db2.gz UVJJYAFLQCJZBS-GFCCVEGCSA-N 0 0 344.440 2.283 40 0 EEABRN CN1CCOC[C@H]1C(=O)NC(C)(C)c1ccccc1Br ZINC000390834597 323545629 /nfs/dbraw/zinc/54/56/29/323545629.db2.gz GYZYWSYWXQSWDR-ZDUSSCGKSA-N 0 0 341.249 2.131 40 0 EEABRN CC[C@@](Br)(C(=O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096518716 463293503 /nfs/dbraw/zinc/29/35/03/463293503.db2.gz YXHIFNHFCAGJKS-LBPRGKRZSA-N 0 0 334.235 2.387 40 0 EEABRN COc1cc(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)ccn1 ZINC000328868996 465152461 /nfs/dbraw/zinc/15/24/61/465152461.db2.gz CQAOTJQYUHATKM-KRWDZBQOSA-N 0 0 333.388 2.063 40 0 EEABRN CN(C)c1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1 ZINC000060357881 462542870 /nfs/dbraw/zinc/54/28/70/462542870.db2.gz CSBGKEKSQYTLOW-UHFFFAOYSA-N 0 0 325.478 2.006 40 0 EEABRN COc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000000180862 462545066 /nfs/dbraw/zinc/54/50/66/462545066.db2.gz QDPJYAHUAMXELX-RVDMUPIBSA-N 0 0 335.388 2.374 40 0 EEABRN O=C(c1ccccc1C(F)(F)F)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436635 462547839 /nfs/dbraw/zinc/54/78/39/462547839.db2.gz LVPBFXIIZRWYTQ-HNNXBMFYSA-N 0 0 342.361 2.234 40 0 EEABRN O=C(c1cccc(F)c1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000085473334 462549968 /nfs/dbraw/zinc/54/99/68/462549968.db2.gz NCICFRJBKJHSNK-MRXNPFEDSA-N 0 0 338.448 2.106 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3coc4ccccc34)CC2)no1 ZINC000113179907 462574760 /nfs/dbraw/zinc/57/47/60/462574760.db2.gz SMGQYQWPLZLKKR-UHFFFAOYSA-N 0 0 326.356 2.082 40 0 EEABRN COC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000001647565 462584826 /nfs/dbraw/zinc/58/48/26/462584826.db2.gz FMXYYPVQVMPNGI-UHFFFAOYSA-N 0 0 343.360 2.234 40 0 EEABRN CCOC(=O)C(Nc1ccc(Br)cc1)C(=O)OCC ZINC000001689930 462585374 /nfs/dbraw/zinc/58/53/74/462585374.db2.gz ZCIFMKVPLRIZTG-UHFFFAOYSA-N 0 0 330.178 2.356 40 0 EEABRN O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1 ZINC000004730934 462636508 /nfs/dbraw/zinc/63/65/08/462636508.db2.gz YKKINZYTYICBHW-OWLDWWDNSA-N 0 0 330.771 2.086 40 0 EEABRN CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H](C(=O)c3ccccc3)[C@@H]2O1 ZINC000005841806 462671072 /nfs/dbraw/zinc/67/10/72/462671072.db2.gz INTCVMYMFRDPEA-RBZJEDDUSA-N 0 0 334.368 2.266 40 0 EEABRN COC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 ZINC000006470316 462686919 /nfs/dbraw/zinc/68/69/19/462686919.db2.gz YXAQIADNYVSNOA-FNORWQNLSA-N 0 0 333.384 2.129 40 0 EEABRN CCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000006879554 462710145 /nfs/dbraw/zinc/71/01/45/462710145.db2.gz WRCFWEXRAPSPOX-UHFFFAOYSA-N 0 0 326.462 2.222 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000006946252 462713697 /nfs/dbraw/zinc/71/36/97/462713697.db2.gz RGBAJKTYRWBVTJ-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN O=[N+]([O-])c1ccc(NNC(=S)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000007558213 462740082 /nfs/dbraw/zinc/74/00/82/462740082.db2.gz ZMIOMCRKKCPAJA-UHFFFAOYSA-N 0 0 347.356 2.494 40 0 EEABRN [NH3+][C@@H](CC(=O)[O-])c1cnc(Nc2ccc(Br)cc2)nc1 ZINC000008702933 462791902 /nfs/dbraw/zinc/79/19/02/462791902.db2.gz TZVXXICQNQTCSJ-NSHDSACASA-N 0 0 337.177 2.457 40 0 EEABRN COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000009188987 462800928 /nfs/dbraw/zinc/80/09/28/462800928.db2.gz NEMOZOUNRBMOKL-QWRGUYRKSA-N 0 0 325.430 2.497 40 0 EEABRN CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000011637745 462835395 /nfs/dbraw/zinc/83/53/95/462835395.db2.gz LKVSFXMHABNDGK-UHFFFAOYSA-N 0 0 346.383 2.121 40 0 EEABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1cccc(F)c1 ZINC000012084919 462841749 /nfs/dbraw/zinc/84/17/49/462841749.db2.gz KKRCGGRIXQFNBW-CYBMUJFWSA-N 0 0 343.402 2.470 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1c1ccc(F)cc1 ZINC000012157285 462845773 /nfs/dbraw/zinc/84/57/73/462845773.db2.gz VMSCPDLREDGAEL-CVEARBPZSA-N 0 0 328.343 2.250 40 0 EEABRN Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)c(C)o1 ZINC000012146785 462845847 /nfs/dbraw/zinc/84/58/47/462845847.db2.gz ZDLIAQAHVAJWHX-UHFFFAOYSA-N 0 0 344.415 2.151 40 0 EEABRN Cc1ncc(-c2ccccn2)c(CCNC(=O)CC[C@@H]2CCCO2)n1 ZINC000012234611 462848126 /nfs/dbraw/zinc/84/81/26/462848126.db2.gz ICHFLLHJGUMAAZ-HNNXBMFYSA-N 0 0 340.427 2.465 40 0 EEABRN O=C(Cc1ccccc1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000013267073 462889674 /nfs/dbraw/zinc/88/96/74/462889674.db2.gz DVCZLYUMEBPDQL-UHFFFAOYSA-N 0 0 348.406 2.198 40 0 EEABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCC(N)=O ZINC000013547006 462895863 /nfs/dbraw/zinc/89/58/63/462895863.db2.gz COECOMGIEIGPTM-UHFFFAOYSA-N 0 0 330.409 2.025 40 0 EEABRN Cn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1 ZINC000014258554 462923163 /nfs/dbraw/zinc/92/31/63/462923163.db2.gz UOLZGVQVZOKXLT-UHFFFAOYSA-N 0 0 347.334 2.236 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)N1CCCCC1 ZINC000014903957 462933715 /nfs/dbraw/zinc/93/37/15/462933715.db2.gz WWIZCURKGQTPNW-GXDHUFHOSA-N 0 0 346.408 2.441 40 0 EEABRN Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)no1 ZINC000050476281 463000335 /nfs/dbraw/zinc/00/03/35/463000335.db2.gz NSMRKKOKUAEHAW-UHFFFAOYSA-N 0 0 333.413 2.388 40 0 EEABRN O=C(Cn1cccn1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000019406030 463017653 /nfs/dbraw/zinc/01/76/53/463017653.db2.gz BCCRHDJQHPWYIS-UHFFFAOYSA-N 0 0 343.412 2.401 40 0 EEABRN O=C(CN1c2cccnc2N2CCC[C@@H]2C1=O)Nc1ccccc1F ZINC000019350008 463018141 /nfs/dbraw/zinc/01/81/41/463018141.db2.gz YBYNXQRRAIBHCC-OAHLLOKOSA-N 0 0 340.358 2.175 40 0 EEABRN O=C(C1CC=CC1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041804 463146295 /nfs/dbraw/zinc/14/62/95/463146295.db2.gz NUXPAIXLQRAGSL-RCCFBDPRSA-N 0 0 328.412 2.323 40 0 EEABRN Cc1cc([C@@H]2NC(=O)CN2Cc2ccccc2)ccc1-n1cncn1 ZINC000078763194 463147371 /nfs/dbraw/zinc/14/73/71/463147371.db2.gz HPWSAKKKLDKQEM-LJQANCHMSA-N 0 0 333.395 2.206 40 0 EEABRN Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1nccs1 ZINC000096042302 463147728 /nfs/dbraw/zinc/14/77/28/463147728.db2.gz CKCLPZNJYVVSDT-KCQAQPDRSA-N 0 0 335.404 2.488 40 0 EEABRN Cc1noc(C)c1Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000078774949 463148563 /nfs/dbraw/zinc/14/85/63/463148563.db2.gz POKPFDPXQLDUHI-UHFFFAOYSA-N 0 0 333.369 2.336 40 0 EEABRN CCOC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ncn(C)c21 ZINC000096044825 463148810 /nfs/dbraw/zinc/14/88/10/463148810.db2.gz VQLGHIRKZUOHII-CQSZACIVSA-N 0 0 349.456 2.053 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000078777172 463149238 /nfs/dbraw/zinc/14/92/38/463149238.db2.gz HHHFYPJHQIOTAK-NWDGAFQWSA-N 0 0 332.429 2.098 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)c(C)[nH]1 ZINC000096045841 463150449 /nfs/dbraw/zinc/15/04/49/463150449.db2.gz WTQJRAFCOJVGLY-AEGPPILISA-N 0 0 342.399 2.494 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccc(C)cc2)Cc2nnn(CC3CC3)c21 ZINC000096045572 463150588 /nfs/dbraw/zinc/15/05/88/463150588.db2.gz FCBVGBHTSKRAQM-INIZCTEOSA-N 0 0 340.427 2.383 40 0 EEABRN O=S1(=O)C[C@@H]2NC(=S)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000026505412 463165242 /nfs/dbraw/zinc/16/52/42/463165242.db2.gz JECIGSHQZUKUGO-VHSXEESVSA-N 0 0 337.253 2.265 40 0 EEABRN CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]1O2 ZINC000096083590 463170238 /nfs/dbraw/zinc/17/02/38/463170238.db2.gz LHKIFAGRXIGEGI-OWCLPIDISA-N 0 0 331.416 2.080 40 0 EEABRN CCOc1ccccc1NC(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000096098251 463172203 /nfs/dbraw/zinc/17/22/03/463172203.db2.gz GBCUYRXYBZWFBJ-UHFFFAOYSA-N 0 0 326.418 2.126 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000078986043 463174786 /nfs/dbraw/zinc/17/47/86/463174786.db2.gz CJBOLQBELFMXPX-SWLSCSKDSA-N 0 0 343.383 2.216 40 0 EEABRN Cc1cc(C(=O)N2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)no1 ZINC000096106724 463175547 /nfs/dbraw/zinc/17/55/47/463175547.db2.gz WESFYGPJOWNPGR-HNNXBMFYSA-N 0 0 343.383 2.221 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)NCCn3ccnc3)cc2F)n1 ZINC000078989410 463176498 /nfs/dbraw/zinc/17/64/98/463176498.db2.gz MVPPTQMBBMZKHB-UHFFFAOYSA-N 0 0 327.363 2.255 40 0 EEABRN O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 ZINC000096110429 463178879 /nfs/dbraw/zinc/17/88/79/463178879.db2.gz BWWLFJXQBXZCRC-QAPCUYQASA-N 0 0 331.416 2.157 40 0 EEABRN F[C@@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112157 463179852 /nfs/dbraw/zinc/17/98/52/463179852.db2.gz JWGOKISWVATEGA-PWSUYJOCSA-N 0 0 333.392 2.154 40 0 biogenic,in-vitro EEABRN O=C(CSC1CCCC1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122109 463182017 /nfs/dbraw/zinc/18/20/17/463182017.db2.gz RPFNUMBLWSPVNE-UHFFFAOYSA-N 0 0 343.470 2.081 40 0 EEABRN Cc1cnc(N2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)nc1 ZINC000096158158 463189653 /nfs/dbraw/zinc/18/96/53/463189653.db2.gz HPEYCPFOEOKROA-IBGZPJMESA-N 0 0 337.427 2.313 40 0 EEABRN Cc1nc(CN2CC[C@]3(CCN(C(=O)c4ccoc4)C3)C2=O)cs1 ZINC000096159454 463190909 /nfs/dbraw/zinc/19/09/09/463190909.db2.gz MTWGAFIGYDPSPL-QGZVFWFLSA-N 0 0 345.424 2.309 40 0 EEABRN C[C@H]1C[C@H](C)CN(C(=O)COCc2nc(-c3cccnc3)no2)C1 ZINC000096182087 463194566 /nfs/dbraw/zinc/19/45/66/463194566.db2.gz IFSVCMWQCJFNIQ-STQMWFEESA-N 0 0 330.388 2.153 40 0 EEABRN O=C(Nc1cccc2c1OCCO2)C1CCN(c2cnccn2)CC1 ZINC000079228949 463199496 /nfs/dbraw/zinc/19/94/96/463199496.db2.gz FXKRAWRUULSRKG-UHFFFAOYSA-N 0 0 340.383 2.103 40 0 EEABRN O=C(NC1CCCC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187934 463200033 /nfs/dbraw/zinc/20/00/33/463200033.db2.gz PMCFRGKAJBDKCU-OAHLLOKOSA-N 0 0 332.448 2.394 40 0 EEABRN COc1ccc(-n2cc(C(=O)NCc3cccnc3)ccc2=O)cc1 ZINC000096192128 463201245 /nfs/dbraw/zinc/20/12/45/463201245.db2.gz NHTJBLPKKWLQKK-UHFFFAOYSA-N 0 0 335.363 2.171 40 0 EEABRN COC(=O)CCN(Cc1nc2c(cccc2F)[nH]1)C[C@H]1CCCO1 ZINC000079354589 463207923 /nfs/dbraw/zinc/20/79/23/463207923.db2.gz JQHUVZVNKJUDAZ-GFCCVEGCSA-N 0 0 335.379 2.246 40 0 EEABRN O=C(CCc1ccco1)Nc1cccnc1N1CCC(CO)CC1 ZINC000079358681 463208660 /nfs/dbraw/zinc/20/86/60/463208660.db2.gz SBJJISNITYOPCW-UHFFFAOYSA-N 0 0 329.400 2.455 40 0 EEABRN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1ccnc1 ZINC000079351789 463208662 /nfs/dbraw/zinc/20/86/62/463208662.db2.gz JFLYSOSYYFAMHM-GXTWGEPZSA-N 0 0 344.390 2.437 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)s1 ZINC000096209928 463213821 /nfs/dbraw/zinc/21/38/21/463213821.db2.gz HLDPWUZLBCCXAA-RWMBFGLXSA-N 0 0 333.413 2.220 40 0 EEABRN O=C(Cc1ccco1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 ZINC000096217768 463214983 /nfs/dbraw/zinc/21/49/83/463214983.db2.gz QGZBRAUTMSAPKL-OAHLLOKOSA-N 0 0 342.399 2.034 40 0 EEABRN COCCNc1ccnc([C@H]2COCCN2Cc2sccc2C)n1 ZINC000096219796 463216364 /nfs/dbraw/zinc/21/63/64/463216364.db2.gz FVUDTLSTRHGAEM-CQSZACIVSA-N 0 0 348.472 2.478 40 0 EEABRN Cc1ncsc1CN1CCOC[C@@H]1c1nccc(N2CCCC2)n1 ZINC000096219171 463216882 /nfs/dbraw/zinc/21/68/82/463216882.db2.gz JOZGUFRXSURWIB-CQSZACIVSA-N 0 0 345.472 2.415 40 0 EEABRN CC[C@]1(N)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000028102256 463217191 /nfs/dbraw/zinc/21/71/91/463217191.db2.gz QRIADWXXXCEJCX-FQEVSTJZSA-N 0 0 347.374 2.046 40 0 EEABRN O=C(N[C@@H]1COCCC12CCN(Cc1nccs1)CC2)C1CC1 ZINC000096220475 463217789 /nfs/dbraw/zinc/21/77/89/463217789.db2.gz BFCDGWGYWDFNCR-CQSZACIVSA-N 0 0 335.473 2.040 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096226922 463221080 /nfs/dbraw/zinc/22/10/80/463221080.db2.gz OAQUFLMWZNDZOZ-MAUKXSAKSA-N 0 0 328.416 2.384 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC000096226957 463221846 /nfs/dbraw/zinc/22/18/46/463221846.db2.gz DAJDEGLJNCORHD-GHTZIAJQSA-N 0 0 349.434 2.179 40 0 EEABRN CCC(CC)C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC000096237862 463223265 /nfs/dbraw/zinc/22/32/65/463223265.db2.gz JMAYNPLJBNNZPU-HXUWFJFHSA-N 0 0 343.471 2.372 40 0 EEABRN COc1ccc(N2C[C@@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)cc1 ZINC000096238997 463224778 /nfs/dbraw/zinc/22/47/78/463224778.db2.gz XHVDEWQCDGDYBU-IBGZPJMESA-N 0 0 343.427 2.340 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccncc1)c1ccco1 ZINC000096250308 463227661 /nfs/dbraw/zinc/22/76/61/463227661.db2.gz FEMMUBDUJPRRRE-LZLYRXPVSA-N 0 0 341.411 2.084 40 0 EEABRN Cc1cnnn1Cc1ncn2c1CN(Cc1cccs1)CCC2 ZINC000096259472 463230109 /nfs/dbraw/zinc/23/01/09/463230109.db2.gz RSIRFRPGEIHUOF-UHFFFAOYSA-N 0 0 328.445 2.299 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC(C)C)C2)no1 ZINC000096260646 463231379 /nfs/dbraw/zinc/23/13/79/463231379.db2.gz XRCARRIMUHPGEQ-AWEZNQCLSA-N 0 0 329.400 2.088 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000096403642 463238185 /nfs/dbraw/zinc/23/81/85/463238185.db2.gz SXCOCVNAQHMPMA-ZDUSSCGKSA-N 0 0 348.403 2.378 40 0 EEABRN CN(C(=O)CCCn1cccn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000096406491 463240480 /nfs/dbraw/zinc/24/04/80/463240480.db2.gz BBJLSDTVCVXJIF-QGZVFWFLSA-N 0 0 340.427 2.317 40 0 EEABRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[S@](C)=O ZINC000096408768 463241695 /nfs/dbraw/zinc/24/16/95/463241695.db2.gz PQFMZNNGJBOLGH-APBUJDDRSA-N 0 0 347.278 2.058 40 0 EEABRN C[S@@](=O)c1cccc(NC(=O)NCCc2cn3ccccc3n2)c1 ZINC000096410690 463243438 /nfs/dbraw/zinc/24/34/38/463243438.db2.gz NGOFBNMFVLAKRM-DEOSSOPVSA-N 0 0 342.424 2.436 40 0 EEABRN CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(N)=O)cc2)o1 ZINC000096412795 463245052 /nfs/dbraw/zinc/24/50/52/463245052.db2.gz NQWUEIIDQMGNAR-OAHLLOKOSA-N 0 0 328.368 2.155 40 0 EEABRN O=C(CCC1CCCCC1)N1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000096412941 463245071 /nfs/dbraw/zinc/24/50/71/463245071.db2.gz DNEGBTXTAWENHJ-UHFFFAOYSA-N 0 0 348.443 2.350 40 0 EEABRN CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000096413625 463246072 /nfs/dbraw/zinc/24/60/72/463246072.db2.gz KXPWPMLANFRIMU-VFZGTOFNSA-N 0 0 330.787 2.331 40 0 EEABRN COCCS(=O)(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000096414224 463247087 /nfs/dbraw/zinc/24/70/87/463247087.db2.gz HNPDDWVMBDULHS-UHFFFAOYSA-N 0 0 327.381 2.016 40 0 EEABRN CC(C)n1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)n1 ZINC000096416125 463248557 /nfs/dbraw/zinc/24/85/57/463248557.db2.gz VIWOZYNMOGEQQA-UHFFFAOYSA-N 0 0 334.807 2.415 40 0 EEABRN Cc1cc(NC(=O)CNC(=O)c2ccccn2)ccc1N1CCCC1 ZINC000096416877 463249446 /nfs/dbraw/zinc/24/94/46/463249446.db2.gz ULKRQTJZSXPJIO-UHFFFAOYSA-N 0 0 338.411 2.359 40 0 EEABRN CC[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1cc(F)ccc1F ZINC000096419893 463251648 /nfs/dbraw/zinc/25/16/48/463251648.db2.gz VAULTLLKDUHQSA-KBPBESRZSA-N 0 0 325.359 2.384 40 0 EEABRN Clc1cccc(N2CCN(CCOC[C@H]3CCCO3)CC2)n1 ZINC000096421071 463251806 /nfs/dbraw/zinc/25/18/06/463251806.db2.gz MMWAAUPTIDPBTM-CQSZACIVSA-N 0 0 325.840 2.053 40 0 EEABRN Cc1c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420756 463251872 /nfs/dbraw/zinc/25/18/72/463251872.db2.gz MLSQKCZOOAVVRM-INIZCTEOSA-N 0 0 340.427 2.435 40 0 EEABRN C[C@@H](NC(=O)c1nccn1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096421362 463253222 /nfs/dbraw/zinc/25/32/22/463253222.db2.gz JWKBQAATLXWYSA-GFCCVEGCSA-N 0 0 346.406 2.011 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1C ZINC000096423712 463254060 /nfs/dbraw/zinc/25/40/60/463254060.db2.gz UMKLANTUUFAQQN-CHWSQXEVSA-N 0 0 334.370 2.184 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430631 463260165 /nfs/dbraw/zinc/26/01/65/463260165.db2.gz JZHYWRKROBXFPW-KRWDZBQOSA-N 0 0 348.418 2.493 40 0 EEABRN Cc1ccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cn1 ZINC000096436150 463262961 /nfs/dbraw/zinc/26/29/61/463262961.db2.gz CPXFUXAHKXNGJZ-IBGZPJMESA-N 0 0 339.439 2.297 40 0 EEABRN C[C@](O)(CNC(=O)Nc1cnn(-c2ccccn2)c1)c1ccsc1 ZINC000096435183 463263901 /nfs/dbraw/zinc/26/39/01/463263901.db2.gz QCBWRIKBBAWBBX-INIZCTEOSA-N 0 0 343.412 2.358 40 0 EEABRN Cc1cc(C)cc(CCNC(=O)N2CCN(Cc3ccon3)CC2)c1 ZINC000096440744 463267185 /nfs/dbraw/zinc/26/71/85/463267185.db2.gz FRYHFYCVFQRZPA-UHFFFAOYSA-N 0 0 342.443 2.361 40 0 EEABRN Cc1cccn2c(=O)cc(CN(C)Cc3nccn3C(F)F)nc12 ZINC000096443506 463268674 /nfs/dbraw/zinc/26/86/74/463268674.db2.gz IPUKXOSRKYKJFP-UHFFFAOYSA-N 0 0 333.342 2.227 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCn3cncn3)cc2)n1 ZINC000096449737 463271911 /nfs/dbraw/zinc/27/19/11/463271911.db2.gz NXZYEZVAMBDZGI-OAHLLOKOSA-N 0 0 338.415 2.348 40 0 EEABRN Cc1ccc(C)c([C@@H](C)NC(=O)NCC2(CS(C)(=O)=O)CC2)c1 ZINC000096450917 463272866 /nfs/dbraw/zinc/27/28/66/463272866.db2.gz SYBFMMGZXZAMKM-CQSZACIVSA-N 0 0 338.473 2.488 40 0 EEABRN COc1c(Cl)cc(NCc2cc(=O)n(C)c(=O)n2C)cc1Cl ZINC000096453490 463274216 /nfs/dbraw/zinc/27/42/16/463274216.db2.gz ZCKGATWSLQYCRD-UHFFFAOYSA-N 0 0 344.198 2.012 40 0 EEABRN O=C(NCc1nnc2ccccn21)N1CCO[C@H](c2ccsc2)C1 ZINC000096466976 463277639 /nfs/dbraw/zinc/27/76/39/463277639.db2.gz CJXVJWUBYWHARR-ZDUSSCGKSA-N 0 0 343.412 2.074 40 0 EEABRN O=C(Nc1ccnn1C[C@@H]1CCOC1)NC1Cc2ccccc2C1 ZINC000159355242 463281587 /nfs/dbraw/zinc/28/15/87/463281587.db2.gz GQQFOFCWFWONAC-ZDUSSCGKSA-N 0 0 326.400 2.209 40 0 EEABRN COc1ccc(Br)c(CC(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000096481539 463281785 /nfs/dbraw/zinc/28/17/85/463281785.db2.gz NWORLDMWVBPUES-QMTHXVAHSA-N 0 0 342.233 2.277 40 0 EEABRN CN(C)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)cnc1N ZINC000096483681 463282651 /nfs/dbraw/zinc/28/26/51/463282651.db2.gz VKAGQMZKTRGFCA-UHFFFAOYSA-N 0 0 340.836 2.208 40 0 EEABRN O=C(CCN1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1 ZINC000096495569 463289028 /nfs/dbraw/zinc/28/90/28/463289028.db2.gz CFWCQMLRGJKQSH-UHFFFAOYSA-N 0 0 338.407 2.423 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1cccc(F)c1 ZINC000096519762 463293797 /nfs/dbraw/zinc/29/37/97/463293797.db2.gz KDJCOCLGGQKBOY-RKDXNWHRSA-N 0 0 331.590 2.191 40 0 EEABRN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nncn1C ZINC000080581886 463331956 /nfs/dbraw/zinc/33/19/56/463331956.db2.gz WDQOURDMPDGTIJ-LBPRGKRZSA-N 0 0 346.410 2.301 40 0 EEABRN C[C@@H](C(=O)Nc1ccccc1-n1ccnn1)n1c(=O)oc2ccccc21 ZINC000097233152 463351034 /nfs/dbraw/zinc/35/10/34/463351034.db2.gz FMAICQQZKZQZKV-LBPRGKRZSA-N 0 0 349.350 2.375 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1C ZINC000080785013 463355058 /nfs/dbraw/zinc/35/50/58/463355058.db2.gz WZIIQDXYCDYTAB-HNNXBMFYSA-N 0 0 333.457 2.290 40 0 EEABRN CCC[C@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21 ZINC000097758827 463363150 /nfs/dbraw/zinc/36/31/50/463363150.db2.gz VKIBZLGSWZHFJD-WFASDCNBSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN COc1cccc(N2CCN(CC(=O)Nc3ncc(C)s3)CC2)c1 ZINC000036186400 463435897 /nfs/dbraw/zinc/43/58/97/463435897.db2.gz OEKWSIIPKKOCMG-UHFFFAOYSA-N 0 0 346.456 2.221 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@]1(C)Sc2ccccc2NC1=O ZINC000040773965 463464018 /nfs/dbraw/zinc/46/40/18/463464018.db2.gz SPLYSSKVTUWDEE-INIZCTEOSA-N 0 0 330.413 2.479 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(N(C)C)cn1 ZINC000081614250 463471511 /nfs/dbraw/zinc/47/15/11/463471511.db2.gz HJKPCFFCOXTHAE-UHFFFAOYSA-N 0 0 329.404 2.089 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)OC23CCCCC3)n1 ZINC000057355683 463480576 /nfs/dbraw/zinc/48/05/76/463480576.db2.gz WVBVCDMPVNMTKU-HNNXBMFYSA-N 0 0 333.432 2.272 40 0 EEABRN COc1cc2[nH]c(C)c(I)c(=O)c2cc1OC ZINC000072207207 463482584 /nfs/dbraw/zinc/48/25/84/463482584.db2.gz XQPVEKIFHITPMB-UHFFFAOYSA-N 0 0 345.136 2.458 40 0 EEABRN CCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000057475706 463494355 /nfs/dbraw/zinc/49/43/55/463494355.db2.gz DQENVXOTARPBML-CQSZACIVSA-N 0 0 329.849 2.308 40 0 EEABRN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000084069913 463575847 /nfs/dbraw/zinc/57/58/47/463575847.db2.gz PMGKMGZQEPPJML-WCQYABFASA-N 0 0 334.372 2.044 40 0 EEABRN O=C(NCCOc1ccc(Cl)cc1)c1cccnc1-n1cncn1 ZINC000042655477 463583857 /nfs/dbraw/zinc/58/38/57/463583857.db2.gz BDXFICQUMZRYNC-UHFFFAOYSA-N 0 0 343.774 2.125 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 ZINC000058598319 463612399 /nfs/dbraw/zinc/61/23/99/463612399.db2.gz WVNMCQLGAYUJSE-UHFFFAOYSA-N 0 0 332.385 2.086 40 0 EEABRN Cc1nnc([C@@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C(C)C)[nH]1 ZINC000084675161 463622540 /nfs/dbraw/zinc/62/25/40/463622540.db2.gz JNTSNQVNKANXSI-ZDUSSCGKSA-N 0 0 344.387 2.375 40 0 EEABRN O=C(COc1ccc(F)cc1)NCC1CCN(c2ncccn2)CC1 ZINC000043977095 463663987 /nfs/dbraw/zinc/66/39/87/463663987.db2.gz WNKAKHMZTQEIAZ-UHFFFAOYSA-N 0 0 344.390 2.027 40 0 EEABRN COc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1OCC(N)=O ZINC000044872516 463697542 /nfs/dbraw/zinc/69/75/42/463697542.db2.gz UEGHLTOSTWBVLK-LLVKDONJSA-N 0 0 346.358 2.189 40 0 EEABRN C[C@H]1Oc2ccccc2N(CC(=O)N2CCc3sccc3C2)C1=O ZINC000044894711 463698961 /nfs/dbraw/zinc/69/89/61/463698961.db2.gz GDMYCHVSFWJUAG-GFCCVEGCSA-N 0 0 342.420 2.447 40 0 EEABRN O=C(NCCCOC1CCCCC1)c1cnc2ccccn2c1=O ZINC000044895645 463699497 /nfs/dbraw/zinc/69/94/97/463699497.db2.gz QCVAFCAFOCVTLD-UHFFFAOYSA-N 0 0 329.400 2.164 40 0 EEABRN O=C([O-])c1ccccc1-n1cnc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257228434 463756621 /nfs/dbraw/zinc/75/66/21/463756621.db2.gz FTVCFVMZUXUGDD-ZDUSSCGKSA-N 0 0 337.383 2.283 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@@H]2CCCN2Cc2c[nH]cn2)n1 ZINC000257245652 463757610 /nfs/dbraw/zinc/75/76/10/463757610.db2.gz IQMNNDQMVYEMQT-INIZCTEOSA-N 0 0 349.398 2.184 40 0 EEABRN NC(=O)[C@@]1(CCCc2cnccn2)CCN1Cc1ccccc1F ZINC000257279466 463759743 /nfs/dbraw/zinc/75/97/43/463759743.db2.gz OGUDSGWSPYGCPG-GOSISDBHSA-N 0 0 328.391 2.068 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)CC[C@@]12CCCO2 ZINC000257285653 463761799 /nfs/dbraw/zinc/76/17/99/463761799.db2.gz PIDKOSHNWBHTJC-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN Cn1ccnc1-c1cnc(CC2CCN(c3ccncn3)CC2)cn1 ZINC000257283856 463761888 /nfs/dbraw/zinc/76/18/88/463761888.db2.gz PADRASOXKCUFTN-UHFFFAOYSA-N 0 0 335.415 2.126 40 0 EEABRN CCCn1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)n1 ZINC000257283714 463762135 /nfs/dbraw/zinc/76/21/35/463762135.db2.gz OZMVZQFQZAFLDA-MRXNPFEDSA-N 0 0 328.416 2.088 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 ZINC000257289759 463764439 /nfs/dbraw/zinc/76/44/39/463764439.db2.gz QABUSUKHIPPISV-INIZCTEOSA-N 0 0 336.399 2.232 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257297415 463767375 /nfs/dbraw/zinc/76/73/75/463767375.db2.gz RHEBUQOXFCJOKE-INIZCTEOSA-N 0 0 341.459 2.482 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCN2C)cc1 ZINC000257300634 463768912 /nfs/dbraw/zinc/76/89/12/463768912.db2.gz RVDFTMIPOXJHLW-SFHVURJKSA-N 0 0 342.443 2.093 40 0 EEABRN Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)c1 ZINC000257300437 463769124 /nfs/dbraw/zinc/76/91/24/463769124.db2.gz RUGLMQGTXYGJLX-KRWDZBQOSA-N 0 0 331.441 2.165 40 0 EEABRN CN(C)C(=O)CN1[C@H](c2ccccc2F)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257306497 463772241 /nfs/dbraw/zinc/77/22/41/463772241.db2.gz SUMLIKUHHYAVQF-BXWFABGCSA-N 0 0 347.434 2.088 40 0 EEABRN O=C(CCCn1ccnc1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257313361 463773325 /nfs/dbraw/zinc/77/33/25/463773325.db2.gz USBZBTLLANIPGS-ZHALLVOQSA-N 0 0 343.427 2.141 40 0 EEABRN CC(=O)N1CCC(Cc2ccccc2)(C(=O)Nc2ccnn2C)CC1 ZINC000257321359 463776964 /nfs/dbraw/zinc/77/69/64/463776964.db2.gz WBHXUILIHPSABL-UHFFFAOYSA-N 0 0 340.427 2.230 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)c3ncoc3C)CC2)cn1 ZINC000257324350 463778512 /nfs/dbraw/zinc/77/85/12/463778512.db2.gz WOHPDZRUCMRPGO-CYBMUJFWSA-N 0 0 329.404 2.300 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(Cc3scnc3C)CCN2C)c1 ZINC000257328088 463779682 /nfs/dbraw/zinc/77/96/82/463779682.db2.gz XEBJJFDETZSVDM-INIZCTEOSA-N 0 0 344.484 2.300 40 0 EEABRN O=C(CCC1CCCC1)NC[C@@]1(O)CCCN(c2ccccn2)C1 ZINC000257340541 463786151 /nfs/dbraw/zinc/78/61/51/463786151.db2.gz ZGQGBUNGFIHJMJ-IBGZPJMESA-N 0 0 331.460 2.500 40 0 EEABRN Cn1nccc1C(=O)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257344194 463787105 /nfs/dbraw/zinc/78/71/05/463787105.db2.gz ZWCXFOINYQMTCO-MJEQTWJJSA-N 0 0 329.375 2.489 40 0 EEABRN Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000177897963 463811892 /nfs/dbraw/zinc/81/18/92/463811892.db2.gz SJIJSPCOUSFOSK-OAHLLOKOSA-N 0 0 348.472 2.424 40 0 EEABRN Cn1nccc1CS(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 ZINC000194412340 463857600 /nfs/dbraw/zinc/85/76/00/463857600.db2.gz MRMSLYGIGLEZJK-UHFFFAOYSA-N 0 0 348.346 2.476 40 0 EEABRN O=C(NCCS(=O)(=O)CC1CCC1)c1c(F)ccc(F)c1F ZINC000195567240 464078420 /nfs/dbraw/zinc/07/84/20/464078420.db2.gz JRJKRAVFBKMXJQ-UHFFFAOYSA-N 0 0 335.347 2.049 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(C[S@](=O)CCc2cccs2)o1 ZINC000195579378 464080444 /nfs/dbraw/zinc/08/04/44/464080444.db2.gz SALBGCQNOKDDJW-HXUWFJFHSA-N 0 0 347.483 2.083 40 0 EEABRN CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 ZINC000207979852 464100696 /nfs/dbraw/zinc/10/06/96/464100696.db2.gz UWHMSLRCHCOEGE-UHFFFAOYSA-N 0 0 346.456 2.118 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000220759800 464119981 /nfs/dbraw/zinc/11/99/81/464119981.db2.gz TYGYHETUABSRDB-CQSZACIVSA-N 0 0 326.400 2.366 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222974017 464135378 /nfs/dbraw/zinc/13/53/78/464135378.db2.gz PAUVVVZVKIKNIF-CQSZACIVSA-N 0 0 341.411 2.144 40 0 EEABRN C[C@]1(C(=O)NCC2(CO)CCCC2)CC(c2cccc(F)c2)=NO1 ZINC000223266455 464138774 /nfs/dbraw/zinc/13/87/74/464138774.db2.gz SCRFULQBPJRDFN-QGZVFWFLSA-N 0 0 334.391 2.378 40 0 EEABRN Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N2Cc2cccs2)o1 ZINC000223242681 464139725 /nfs/dbraw/zinc/13/97/25/464139725.db2.gz CWIKVILDNUZHPJ-OAHLLOKOSA-N 0 0 332.425 2.499 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1cccc(F)c1 ZINC000223836821 464146536 /nfs/dbraw/zinc/14/65/36/464146536.db2.gz OJCNMXCYNQJJOW-UHFFFAOYSA-N 0 0 342.436 2.288 40 0 EEABRN COc1cccc(OCCNS(=O)(=O)Cc2ccccc2F)c1 ZINC000224183145 464148011 /nfs/dbraw/zinc/14/80/11/464148011.db2.gz LOQRVVXDOAMMDX-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(F)cc1F ZINC000224301221 464150158 /nfs/dbraw/zinc/15/01/58/464150158.db2.gz VRFLSNUHDGGGNT-UHFFFAOYSA-N 0 0 348.353 2.461 40 0 EEABRN CCOc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 ZINC000224348484 464151523 /nfs/dbraw/zinc/15/15/23/464151523.db2.gz QYQGBUHFQIWTOF-UHFFFAOYSA-N 0 0 329.404 2.260 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225224917 464154100 /nfs/dbraw/zinc/15/41/00/464154100.db2.gz FDCTZFKVUWTUEU-GHMZBOCLSA-N 0 0 348.415 2.280 40 0 EEABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)NC2CCOCC2)cc1 ZINC000225431368 464159274 /nfs/dbraw/zinc/15/92/74/464159274.db2.gz SGQVVJVYKSVFER-NSHDSACASA-N 0 0 346.383 2.312 40 0 biogenic,in-vitro EEABRN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc2n[nH]nc21 ZINC000225476833 464163661 /nfs/dbraw/zinc/16/36/61/464163661.db2.gz AXAHZAMHHQTTAL-UHFFFAOYSA-N 0 0 335.367 2.446 40 0 EEABRN COc1cccc(CCC(=O)NCc2ccc(C(N)=O)cc2)c1F ZINC000225491685 464164738 /nfs/dbraw/zinc/16/47/38/464164738.db2.gz QGKARTFZDAUPOC-UHFFFAOYSA-N 0 0 330.359 2.182 40 0 EEABRN Fc1cccc(O[C@H]2CCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000225485298 464165304 /nfs/dbraw/zinc/16/53/04/464165304.db2.gz AUHWQLFCUXOGFV-INIZCTEOSA-N 0 0 344.390 2.110 40 0 EEABRN CCOC(=O)c1ccccc1S(=O)(=O)N1CCS[C@H](CC)C1 ZINC000225673577 464179429 /nfs/dbraw/zinc/17/94/29/464179429.db2.gz BJLXWVSMDFBLGJ-GFCCVEGCSA-N 0 0 343.470 2.379 40 0 EEABRN Cc1ccc(F)cc1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000179923227 464209141 /nfs/dbraw/zinc/20/91/41/464209141.db2.gz ILGVGBNAXVLGMG-UHFFFAOYSA-N 0 0 333.451 2.264 40 0 EEABRN CC1(C)CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@@H](C(F)(F)F)O1 ZINC000292497027 464253737 /nfs/dbraw/zinc/25/37/37/464253737.db2.gz XARLNFFGUCKDIO-NSHDSACASA-N 0 0 344.289 2.303 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000188606714 464322709 /nfs/dbraw/zinc/32/27/09/464322709.db2.gz FYZMYOXUMXALAG-GWCFXTLKSA-N 0 0 336.775 2.103 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000245339056 464470872 /nfs/dbraw/zinc/47/08/72/464470872.db2.gz QFNYDGPITDPECM-ARFHVFGLSA-N 0 0 334.460 2.099 40 0 EEABRN O=C(Nc1ccc(OC2CCCC2)nc1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000175317943 464525454 /nfs/dbraw/zinc/52/54/54/464525454.db2.gz RRHQYEBOOBNWRH-ZDUSSCGKSA-N 0 0 344.415 2.288 40 0 EEABRN CCn1c(=O)[nH]nc1S[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189987576 464579752 /nfs/dbraw/zinc/57/97/52/464579752.db2.gz QACBKUVZBSDRAB-ZDUSSCGKSA-N 0 0 346.456 2.414 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1CC2(C1)C[C@@H](OCC1CC1)CCO2 ZINC000247829057 464708957 /nfs/dbraw/zinc/70/89/57/464708957.db2.gz KEXFNLBFJWGSGU-HNNXBMFYSA-N 0 0 345.395 2.216 40 0 EEABRN Cn1nccc1C(=O)N1CC2(C1)C[C@H](OCC1CCCC1)CS2 ZINC000248021164 464724668 /nfs/dbraw/zinc/72/46/68/464724668.db2.gz IBKJJKJEOLFVLK-AWEZNQCLSA-N 0 0 335.473 2.327 40 0 EEABRN Cc1nc(COC[C@@H]2CCOC23CN(c2ncccn2)C3)cs1 ZINC000248061458 464726699 /nfs/dbraw/zinc/72/66/99/464726699.db2.gz VWXCJYKFZUXXTG-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN c1ccc(CN2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)nc1 ZINC000248105806 464729628 /nfs/dbraw/zinc/72/96/28/464729628.db2.gz PCMDBBVOYRKJNK-MRXNPFEDSA-N 0 0 340.427 2.322 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CC2)n1 ZINC000248122212 464732397 /nfs/dbraw/zinc/73/23/97/464732397.db2.gz VPSNVQJUXBKDOU-MRXNPFEDSA-N 0 0 330.428 2.438 40 0 EEABRN C[C@H]1CN(Cc2nnnn2CC(F)(F)F)[C@@H](c2ccccc2)CO1 ZINC000248756825 464797320 /nfs/dbraw/zinc/79/73/20/464797320.db2.gz HOWCEJZUWUNOHS-WCQYABFASA-N 0 0 341.337 2.197 40 0 EEABRN C[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCN(c1ccsc1)C2=O ZINC000249692467 464903811 /nfs/dbraw/zinc/90/38/11/464903811.db2.gz MQIFQEWHKIFUJK-SJKOYZFVSA-N 0 0 342.424 2.053 40 0 EEABRN CC[C@H](O)CN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000253394862 464998655 /nfs/dbraw/zinc/99/86/55/464998655.db2.gz BYXHQOVSDHRQSW-AWEZNQCLSA-N 0 0 339.237 2.233 40 0 EEABRN O=C(c1ncsc1-c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000253426729 465011725 /nfs/dbraw/zinc/01/17/25/465011725.db2.gz ILPRHEOZGJJUSR-HNNXBMFYSA-N 0 0 343.452 2.357 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)S(C)(=O)=O ZINC000330781211 465801993 /nfs/dbraw/zinc/80/19/93/465801993.db2.gz FKJBTWACKOKINF-QWRGUYRKSA-N 0 0 347.839 2.446 40 0 EEABRN Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(N2CCSCC2)ncn1 ZINC000302904724 466212015 /nfs/dbraw/zinc/21/20/15/466212015.db2.gz SCEOIXXAVMKSHO-GFCCVEGCSA-N 0 0 346.504 2.423 40 0 EEABRN Cc1nc(C(=O)N2CCn3c(ncc3-c3ccncc3)C2)cs1 ZINC000306127456 466489176 /nfs/dbraw/zinc/48/91/76/466489176.db2.gz FZAQJGQTMWFGCJ-UHFFFAOYSA-N 0 0 325.397 2.366 40 0 EEABRN O=C(N1CC2(C1)C[C@H](OCC1CCOCC1)CS2)N1CCCC1 ZINC000306126787 466490086 /nfs/dbraw/zinc/49/00/86/466490086.db2.gz FFJLAVLYFSZBHI-HNNXBMFYSA-N 0 0 340.489 2.205 40 0 EEABRN COCC[C@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3Cl)C[C@@H]12 ZINC000306143553 466493552 /nfs/dbraw/zinc/49/35/52/466493552.db2.gz YFLRKKPEWMSVEZ-OBJOEFQTSA-N 0 0 345.848 2.012 40 0 EEABRN O=C(Oc1ccc2nccnc2c1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000408978178 466683988 /nfs/dbraw/zinc/68/39/88/466683988.db2.gz YQLYXOFXVDKZIM-UHFFFAOYSA-N 0 0 345.314 2.278 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccnc3C)C2)c1F ZINC000390829390 467412414 /nfs/dbraw/zinc/41/24/14/467412414.db2.gz YHNYQUPFQJVJKQ-GFCCVEGCSA-N 0 0 330.363 2.175 40 0 EEABRN CS[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000390834296 467414090 /nfs/dbraw/zinc/41/40/90/467414090.db2.gz VXNUEXZCOMOXQT-AWEZNQCLSA-N 0 0 336.438 2.377 40 0 EEABRN O=C(C1CC(F)C1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575402316 468140988 /nfs/dbraw/zinc/14/09/88/468140988.db2.gz AGJNGWGTLFTVTN-NRXISQOPSA-N 0 0 343.464 2.264 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406403 468142680 /nfs/dbraw/zinc/14/26/80/468142680.db2.gz OOCGKPQQCFHBBL-WJNMYVKJSA-N 0 0 330.428 2.118 40 0 EEABRN Cc1cc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)[nH]n1 ZINC000575605947 468145983 /nfs/dbraw/zinc/14/59/83/468145983.db2.gz BLZKFWCOZRMABI-UHFFFAOYSA-N 0 0 325.319 2.324 40 0 EEABRN C[C@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)C1=CCCC1 ZINC000585097074 468965686 /nfs/dbraw/zinc/96/56/86/468965686.db2.gz HEBILVFBSSXVTD-ZDUSSCGKSA-N 0 0 339.399 2.266 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@@H]1C ZINC000585097027 468965767 /nfs/dbraw/zinc/96/57/67/468965767.db2.gz DWQIJMWYQJCTPC-HNNXBMFYSA-N 0 0 344.459 2.163 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(C)cc(C)c1)C2 ZINC000585103472 468970553 /nfs/dbraw/zinc/97/05/53/468970553.db2.gz PESNAYJKTCNYEG-KRWDZBQOSA-N 0 0 337.485 2.329 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cccs1)C2 ZINC000585103568 468971022 /nfs/dbraw/zinc/97/10/22/468971022.db2.gz XWOUFGYGNYGWTJ-CXAGYDPISA-N 0 0 336.457 2.143 40 0 EEABRN COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585105068 468972671 /nfs/dbraw/zinc/97/26/71/468972671.db2.gz ORDQQIAEMIDOGE-HNNXBMFYSA-N 0 0 339.457 2.283 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@@H]12 ZINC000585109669 468973946 /nfs/dbraw/zinc/97/39/46/468973946.db2.gz YWZDLBWHBDSDGZ-ZACQAIPSSA-N 0 0 346.402 2.114 40 0 EEABRN COc1ccc(-c2n[nH]c3c2CCN(C(=O)[C@@H]2C[C@H]2F)CC3)cc1 ZINC000585110342 468974011 /nfs/dbraw/zinc/97/40/11/468974011.db2.gz HMJPCRBEXZWZHR-HUUCEWRRSA-N 0 0 329.375 2.371 40 0 EEABRN O=C(NC[C@H]1CN(Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111607 468975365 /nfs/dbraw/zinc/97/53/65/468975365.db2.gz DKKJIMFIFCFNKK-SFHVURJKSA-N 0 0 339.443 2.245 40 0 EEABRN Cc1ccn(CCC(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000585182298 468995315 /nfs/dbraw/zinc/99/53/15/468995315.db2.gz DFCRJXXEYPEPLR-MRXNPFEDSA-N 0 0 327.432 2.070 40 0 EEABRN COCc1ccc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272649 468998477 /nfs/dbraw/zinc/99/84/77/468998477.db2.gz OTVJVJIBGNVVHT-FQEVSTJZSA-N 0 0 341.407 2.489 40 0 EEABRN COCc1ccc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272650 468999116 /nfs/dbraw/zinc/99/91/16/468999116.db2.gz OTVJVJIBGNVVHT-HXUWFJFHSA-N 0 0 341.407 2.489 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)[C@H]1Cc1ccccc1 ZINC000585276040 469000410 /nfs/dbraw/zinc/00/04/10/469000410.db2.gz ITCUIJDWGCCZDO-ROUUACIJSA-N 0 0 340.423 2.248 40 0 EEABRN O=C([O-])CN1CCCC[C@H]([NH+]2CCC(c3ccccc3F)CC2)C1=O ZINC000643874437 470807576 /nfs/dbraw/zinc/80/75/76/470807576.db2.gz WVWKQGQALHHRFF-KRWDZBQOSA-N 0 0 348.418 2.471 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3c(nnn3C)C2)cc1F ZINC000654484321 471035832 /nfs/dbraw/zinc/03/58/32/471035832.db2.gz FWVSERDEQVQPKC-YPMHNXCESA-N 0 0 331.395 2.180 40 0 EEABRN COc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000022540524 524044595 /nfs/dbraw/zinc/04/45/95/524044595.db2.gz SUOIXIIUYGFQQR-GFCCVEGCSA-N 0 0 330.359 2.328 40 0 EEABRN CCCCc1nc(CN2CCO[C@H](c3nccnc3N(C)C)C2)c[nH]1 ZINC000257222574 535102655 /nfs/dbraw/zinc/10/26/55/535102655.db2.gz DTVDGJFCRBJTRM-HNNXBMFYSA-N 0 0 344.463 2.182 40 0 EEABRN CCCn1cc(C(=O)N2CCC[C@@]2(C)c2nc(C)cc(N)n2)cn1 ZINC000257272607 535598294 /nfs/dbraw/zinc/59/82/94/535598294.db2.gz NDBAGSBPFTZOCA-KRWDZBQOSA-N 0 0 328.420 2.125 40 0 EEABRN COc1ccccc1CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222408533 537047006 /nfs/dbraw/zinc/04/70/06/537047006.db2.gz FXRKATYBNYYKBG-UHFFFAOYSA-N 0 0 348.424 2.021 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)c1 ZINC000257253611 537136374 /nfs/dbraw/zinc/13/63/74/537136374.db2.gz JZPFXFZTKGXHII-CYBMUJFWSA-N 0 0 335.429 2.062 40 0 EEABRN COc1cccc([C@H]2C[C@H](NC(=O)N[C@@H]3COCC[C@H]3OC)C2)c1 ZINC000895233278 684329861 /nfs/dbraw/zinc/32/98/61/684329861.db2.gz GIJYAFLCGYVGLQ-MUIFIZLQSA-N 0 0 334.416 2.044 40 0 EEABRN Cc1cc2c(cc1Br)CN(c1nccn3nnnc13)CC2 ZINC000896632082 685136184 /nfs/dbraw/zinc/13/61/84/685136184.db2.gz HARPTJNCKFTVCX-UHFFFAOYSA-N 0 0 345.204 2.153 40 0 EEABRN O=C(N[C@H]1Cc2cncn2C1)c1ccnc(OC2CCCCC2)c1 ZINC000585141127 1184703745 /nfs/dbraw/zinc/70/37/45/1184703745.db2.gz QACTXCAZTVXOMJ-AWEZNQCLSA-N 0 0 326.400 2.344 40 0 EEABRN Cn1cc(N2C[C@H](c3nc(Cc4cccs4)no3)CCC2=O)cn1 ZINC000901908429 1236605905 /nfs/dbraw/zinc/60/59/05/1236605905.db2.gz FMCHRBJDZZCAFL-LLVKDONJSA-N 0 0 343.412 2.366 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C[C@H](O)COc2ccccc2C)cc1 ZINC000095117164 1357764018 /nfs/dbraw/zinc/76/40/18/1357764018.db2.gz ANOUYPMVAJCATE-INIZCTEOSA-N 0 0 349.452 2.364 40 0 EEABRN CCOC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000675083771 1370295034 /nfs/dbraw/zinc/29/50/34/1370295034.db2.gz QUVZPBOWJVUYFH-UHFFFAOYSA-N 0 0 345.380 2.153 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3COCCC3=O)c3cccc1c32 ZINC001740816831 1406109009 /nfs/dbraw/zinc/10/90/09/1406109009.db2.gz XFLCHAVZLHWJKQ-LIRRHRJNSA-N 0 0 327.380 2.022 40 0 EEABRN CO[C@@](C)(CO)CNC(=O)c1c(C)c(Br)ccc1F ZINC000824249570 788107718 /nfs/dbraw/zinc/10/77/18/788107718.db2.gz ZCCIXIMKPRZQDQ-CYBMUJFWSA-N 0 0 334.185 2.024 40 0 EEABRN Cc1cc(F)ccc1[C@H](C)NC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC001548452868 1124294712 /nfs/dbraw/zinc/29/47/12/1124294712.db2.gz OYTXOLJVWUXYBN-OLZOCXBDSA-N 0 0 342.436 2.414 40 0 EEABRN O=C(Cc1cccs1)N1CCN(C[C@H](O)c2cccs2)CC1 ZINC000056921648 214395027 /nfs/dbraw/zinc/39/50/27/214395027.db2.gz WILWXOMITLWYOU-AWEZNQCLSA-N 0 0 336.482 2.230 40 0 EEABRN CCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000059472914 214620126 /nfs/dbraw/zinc/62/01/26/214620126.db2.gz BHVDZGNVAOOBMR-UHFFFAOYSA-N 0 0 332.425 2.403 40 0 EEABRN C[C@@H](C(=O)N1CCCCCCC1)n1nc(-c2ccco2)cc(N)c1=O ZINC000012181385 201829920 /nfs/dbraw/zinc/82/99/20/201829920.db2.gz YVWXEVREFOFOPZ-ZDUSSCGKSA-N 0 0 344.415 2.439 40 0 EEABRN CC[C@H](C(=O)NCC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715085 201910495 /nfs/dbraw/zinc/91/04/95/201910495.db2.gz XFHCWEDCJMELHK-CQSZACIVSA-N 0 0 330.425 2.143 40 0 EEABRN COC(=O)C1=C(N2CCCC2)[C@H]2c3ccccc3S[C@]12C(=O)OC ZINC000001591006 290926633 /nfs/dbraw/zinc/92/66/33/290926633.db2.gz WEPFRJIQIIGTEM-ACJLOTCBSA-N 0 0 345.420 2.324 40 0 in-vivo EEABRN O=C(Cc1ccc2c(c1)OCO2)NCc1nnc(-c2cccs2)o1 ZINC000019344898 202005459 /nfs/dbraw/zinc/00/54/59/202005459.db2.gz CIBRJGFAQDVJAB-UHFFFAOYSA-N 0 0 343.364 2.386 40 0 EEABRN O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)c1cc2ccccc2o1 ZINC000019376278 202007594 /nfs/dbraw/zinc/00/75/94/202007594.db2.gz FBYXBSCZNUTICK-UHFFFAOYSA-N 0 0 338.367 2.046 40 0 EEABRN CC(C)n1cc(C(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)cn1 ZINC000019454873 202008727 /nfs/dbraw/zinc/00/87/27/202008727.db2.gz AEGSNPACTBKRHQ-AWEZNQCLSA-N 0 0 338.371 2.496 40 0 EEABRN Cc1nonc1CN(C)C(=O)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000019559090 202011909 /nfs/dbraw/zinc/01/19/09/202011909.db2.gz MCUIHFRUXFXCPC-UHFFFAOYSA-N 0 0 333.779 2.499 40 0 EEABRN C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cccs1 ZINC000019574230 202013187 /nfs/dbraw/zinc/01/31/87/202013187.db2.gz GQYGOTSFZIGMEB-VIFPVBQESA-N 0 0 335.410 2.445 40 0 EEABRN CN(C)c1cc(C(=O)N2CCC(Oc3cccnc3)CC2)ccn1 ZINC000019584181 202013836 /nfs/dbraw/zinc/01/38/36/202013836.db2.gz XGWWRSOUAYQXJU-UHFFFAOYSA-N 0 0 326.400 2.226 40 0 EEABRN CN(C)c1ccc(C[C@@H](CO)n2cncc2-c2cnn(C)c2)cc1 ZINC000019719482 202016774 /nfs/dbraw/zinc/01/67/74/202016774.db2.gz JAQMLEIKOJAFKD-KRWDZBQOSA-N 0 0 325.416 2.126 40 0 EEABRN Fc1cccnc1O[C@H]1CCOC2(CN(Cc3ccncc3)C2)C1 ZINC000247521259 283032543 /nfs/dbraw/zinc/03/25/43/283032543.db2.gz LPZPWYHNKYEHEN-HNNXBMFYSA-N 0 0 329.375 2.428 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC000096243385 291093910 /nfs/dbraw/zinc/09/39/10/291093910.db2.gz RLFDEXZOTZRVPR-YOEHRIQHSA-N 0 0 326.440 2.466 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)c(Cl)c1 ZINC000020112179 202033011 /nfs/dbraw/zinc/03/30/11/202033011.db2.gz AFYOMXSTXBMTJS-UHFFFAOYSA-N 0 0 328.777 2.235 40 0 EEABRN COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(OC)cc1)CC2=O ZINC000020800625 202055028 /nfs/dbraw/zinc/05/50/28/202055028.db2.gz MAZMTCSIQAFWMG-NSHDSACASA-N 0 0 327.336 2.083 40 0 EEABRN CCn1cc(C(=O)NCCCO)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236659 202080986 /nfs/dbraw/zinc/08/09/86/202080986.db2.gz QVYNFSHBGNKFKX-UHFFFAOYSA-N 0 0 342.317 2.152 40 0 EEABRN CN(C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)C1CCCC1 ZINC000022508967 202086896 /nfs/dbraw/zinc/08/68/96/202086896.db2.gz KEKGTQYIHAYIFU-UHFFFAOYSA-N 0 0 346.399 2.132 40 0 EEABRN COc1ccc(O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000023239233 202100504 /nfs/dbraw/zinc/10/05/04/202100504.db2.gz CESZLLMHEQFYIX-CJNGLKHVSA-N 0 0 343.379 2.419 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000027408489 202154824 /nfs/dbraw/zinc/15/48/24/202154824.db2.gz JMBBQEWVHYCZJE-UHFFFAOYSA-N 0 0 330.359 2.383 40 0 EEABRN CNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408705992 283294980 /nfs/dbraw/zinc/29/49/80/283294980.db2.gz SGTWITGPBYWKDS-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN O=C(NCc1c(F)cc(Br)cc1F)N1CCC[C@@H]1CO ZINC000187834533 236313164 /nfs/dbraw/zinc/31/31/64/236313164.db2.gz YRVDOARERBJKAE-SECBINFHSA-N 0 0 349.175 2.394 40 0 EEABRN CCCOCC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000097237904 283403135 /nfs/dbraw/zinc/40/31/35/283403135.db2.gz JVGPRFJWJMBKKW-CQSZACIVSA-N 0 0 344.333 2.132 40 0 EEABRN COc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000071538684 202353319 /nfs/dbraw/zinc/35/33/19/202353319.db2.gz SNRURRIOJYWZGZ-SNVBAGLBSA-N 0 0 348.380 2.215 40 0 EEABRN Cc1nsc(N2CCCN(Cc3nc4ccccc4n3C)CC2)n1 ZINC000072801037 202368247 /nfs/dbraw/zinc/36/82/47/202368247.db2.gz XGMZYWVPJVVHPH-UHFFFAOYSA-N 0 0 342.472 2.446 40 0 EEABRN CCN1CCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000072243379 202357708 /nfs/dbraw/zinc/35/77/08/202357708.db2.gz MRKKQFKGNODREN-UHFFFAOYSA-N 0 0 326.322 2.359 40 0 EEABRN COC(=O)c1nn(C)c(C)c1NC(=O)Cn1ccc2ccccc21 ZINC000072250871 202357807 /nfs/dbraw/zinc/35/78/07/202357807.db2.gz UWKRQNBPJGUZOR-UHFFFAOYSA-N 0 0 326.356 2.109 40 0 EEABRN COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1Br ZINC000188614833 202370836 /nfs/dbraw/zinc/37/08/36/202370836.db2.gz JWKRYEZGSZGOIR-CMPLNLGQSA-N 0 0 348.624 2.211 40 0 EEABRN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077939519 202394062 /nfs/dbraw/zinc/39/40/62/202394062.db2.gz GBIHROAXDSVTJD-MFKMUULPSA-N 0 0 344.333 2.311 40 0 EEABRN O=C(Oc1cccc(-n2cccn2)c1)c1sccc1-n1cnnn1 ZINC000078141774 202394962 /nfs/dbraw/zinc/39/49/62/202394962.db2.gz OROGMFHKXZGEFE-UHFFFAOYSA-N 0 0 338.352 2.129 40 0 EEABRN CC[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 ZINC000078210570 202396394 /nfs/dbraw/zinc/39/63/94/202396394.db2.gz VABAKPDCJOVRQC-CQSZACIVSA-N 0 0 349.456 2.450 40 0 EEABRN COc1ccc(F)cc1C[S@@](=O)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000078556298 202397147 /nfs/dbraw/zinc/39/71/47/202397147.db2.gz BYRDYNVVYHCWEX-WYVULQQZSA-N 0 0 340.376 2.407 40 0 EEABRN CC(C)c1nnc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)[nH]1 ZINC000078718564 202398954 /nfs/dbraw/zinc/39/89/54/202398954.db2.gz ISQCSXCATPUPOJ-AWEZNQCLSA-N 0 0 341.415 2.419 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CC=CCC2)ccc1F ZINC000076829068 202388598 /nfs/dbraw/zinc/38/85/98/202388598.db2.gz ZMSAUBJRZIBDBS-GFCCVEGCSA-N 0 0 326.393 2.419 40 0 EEABRN CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076499711 202389314 /nfs/dbraw/zinc/38/93/14/202389314.db2.gz LFMJOCJJUBPRGV-HUUCEWRRSA-N 0 0 327.421 2.182 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCc1ccccc1Cl ZINC000077350229 202391350 /nfs/dbraw/zinc/39/13/50/202391350.db2.gz DTCZWLQNDDDYAW-NEPJUHHUSA-N 0 0 344.864 2.100 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[C@H](C)C2)ccc1=O ZINC000077768642 202393041 /nfs/dbraw/zinc/39/30/41/202393041.db2.gz NMEQODKMLCOBRI-UONOGXRCSA-N 0 0 333.432 2.139 40 0 EEABRN O=C(NCc1ccco1)C(=O)Nc1cc(Br)ccc1F ZINC000077648322 202393222 /nfs/dbraw/zinc/39/32/22/202393222.db2.gz QKAFBXCBINUJMN-UHFFFAOYSA-N 0 0 341.136 2.436 40 0 EEABRN CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000077735321 202393408 /nfs/dbraw/zinc/39/34/08/202393408.db2.gz DLYDUETYYDHTJN-GHMZBOCLSA-N 0 0 329.404 2.269 40 0 EEABRN CCN(C(=O)COc1cc(C)on1)[C@H]1CCN(c2ccccc2)C1=O ZINC000078915262 202409067 /nfs/dbraw/zinc/40/90/67/202409067.db2.gz SVOOEQHQSBDPRR-HNNXBMFYSA-N 0 0 343.383 2.016 40 0 EEABRN Cn1cc([C@H]2[C@H](C(=O)NCCC3=CCCCC3)CCC(=O)N2C)cn1 ZINC000079359179 202435113 /nfs/dbraw/zinc/43/51/13/202435113.db2.gz PJSGQLXNXKHFNY-AEFFLSMTSA-N 0 0 344.459 2.336 40 0 EEABRN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(-n2cncn2)c1 ZINC000079361413 202435606 /nfs/dbraw/zinc/43/56/06/202435606.db2.gz IMXGVORFKFBKKI-UHFFFAOYSA-N 0 0 332.367 2.416 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1F ZINC000226156281 201037585 /nfs/dbraw/zinc/03/75/85/201037585.db2.gz BOUUJIHMHKDMSE-IFIJOSMWSA-N 0 0 334.391 2.030 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C2(C)CC2)c(OC)c1 ZINC000276089194 201291186 /nfs/dbraw/zinc/29/11/86/201291186.db2.gz UEQKBVNDRUWCGB-NSHDSACASA-N 0 0 341.429 2.291 40 0 EEABRN O=C(c1c(F)cccc1Cl)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000085436632 202618128 /nfs/dbraw/zinc/61/81/28/202618128.db2.gz PKJJXQMJDXMHHE-CQSZACIVSA-N 0 0 326.799 2.008 40 0 EEABRN CSc1ncccc1C(=O)NC[C@@]1(O)CCOc2ccccc21 ZINC000085470313 202619393 /nfs/dbraw/zinc/61/93/93/202619393.db2.gz CJLQMJVUJLYQAH-KRWDZBQOSA-N 0 0 330.409 2.204 40 0 EEABRN C[C@H](Cc1cccs1)NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000193464603 240174960 /nfs/dbraw/zinc/17/49/60/240174960.db2.gz FXGDVYBQTNHWTB-GFCCVEGCSA-N 0 0 344.502 2.288 40 0 EEABRN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1 ZINC000218552401 241330086 /nfs/dbraw/zinc/33/00/86/241330086.db2.gz ISXIZBZONDYGSW-XYJFISCASA-N 0 0 345.420 2.025 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCCOC(C)C ZINC000222900918 241574468 /nfs/dbraw/zinc/57/44/68/241574468.db2.gz OIWPMQLXDXGNFT-CQSZACIVSA-N 0 0 338.423 2.494 40 0 EEABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223257270 241625413 /nfs/dbraw/zinc/62/54/13/241625413.db2.gz QGILDIMMPLKIDM-LJQANCHMSA-N 0 0 340.423 2.401 40 0 EEABRN CC(C)c1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 ZINC000223295725 241629054 /nfs/dbraw/zinc/62/90/54/241629054.db2.gz HTQLTTRUZXNWGS-UHFFFAOYSA-N 0 0 348.424 2.475 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 ZINC000225716206 242001719 /nfs/dbraw/zinc/00/17/19/242001719.db2.gz CHUXZRIJLTWQII-ZDUSSCGKSA-N 0 0 342.380 2.407 40 0 EEABRN C[C@@H](C(=O)NC1CC1)N1CCN(CCSC2CCCCC2)CC1 ZINC000225719266 242002186 /nfs/dbraw/zinc/00/21/86/242002186.db2.gz OSWZIANLLUFOHA-HNNXBMFYSA-N 0 0 339.549 2.337 40 0 EEABRN CCc1cccc2c1OCC[C@@H]2NC(=O)COCc1ccnn1C ZINC000225810140 242046432 /nfs/dbraw/zinc/04/64/32/242046432.db2.gz CIVTVNJYVIVJDQ-INIZCTEOSA-N 0 0 329.400 2.139 40 0 EEABRN COc1ccccc1NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225977305 242084607 /nfs/dbraw/zinc/08/46/07/242084607.db2.gz CKLYTYLXRYTBTA-UHFFFAOYSA-N 0 0 348.424 2.272 40 0 EEABRN O=C(Cn1cc(COc2ccccc2F)nn1)NCc1ccccc1 ZINC000227162789 242125093 /nfs/dbraw/zinc/12/50/93/242125093.db2.gz VOYXSZYBBWRKOF-UHFFFAOYSA-N 0 0 340.358 2.313 40 0 EEABRN Cc1cccc(OCc2cn(CC(=O)NCCc3ccco3)nn2)c1 ZINC000227161336 242125602 /nfs/dbraw/zinc/12/56/02/242125602.db2.gz FEUYDLZPDLQJTJ-UHFFFAOYSA-N 0 0 340.383 2.117 40 0 EEABRN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cccc(O)c1 ZINC000035315619 201674125 /nfs/dbraw/zinc/67/41/25/201674125.db2.gz SEHMTKPLHHMFMB-UHFFFAOYSA-N 0 0 339.326 2.394 40 0 EEABRN CO[C@H]1CSC2(CN(C(=O)COc3cccc(Cl)c3)C2)C1 ZINC000247886030 243475667 /nfs/dbraw/zinc/47/56/67/243475667.db2.gz RPYHBUODQZAIIJ-CYBMUJFWSA-N 0 0 327.833 2.452 40 0 EEABRN Cc1nnc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)s1 ZINC000252508376 243833916 /nfs/dbraw/zinc/83/39/16/243833916.db2.gz XMEBOKLLILGXAV-CYBMUJFWSA-N 0 0 348.476 2.089 40 0 EEABRN Cc1ccc(Cc2nc(C(=O)OC[C@H]3CCC(=O)N3)cs2)cc1 ZINC000092851113 203085868 /nfs/dbraw/zinc/08/58/68/203085868.db2.gz RQEIWIIEHHFFTN-CYBMUJFWSA-N 0 0 330.409 2.478 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@@H](C)O1 ZINC000092014154 203078780 /nfs/dbraw/zinc/07/87/80/203078780.db2.gz MCKFQIWSWZYVPY-DYVFJYSZSA-N 0 0 336.407 2.188 40 0 EEABRN O=C(c1cc2cccc(F)c2[nH]1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257217907 244173462 /nfs/dbraw/zinc/17/34/62/244173462.db2.gz DBBHTTHONFDNDX-OAHLLOKOSA-N 0 0 326.331 2.311 40 0 EEABRN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2cccn2)nc1 ZINC000257212783 244156232 /nfs/dbraw/zinc/15/62/32/244156232.db2.gz CEYCYPVMDCGRLA-MRXNPFEDSA-N 0 0 334.379 2.343 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)cc1 ZINC000257224175 244195063 /nfs/dbraw/zinc/19/50/63/244195063.db2.gz FAPPPGXVQQPOMX-RDJZCZTQSA-N 0 0 336.457 2.207 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257224094 244195111 /nfs/dbraw/zinc/19/51/11/244195111.db2.gz FAGSYBAOWRWYFX-MRXNPFEDSA-N 0 0 327.432 2.406 40 0 EEABRN CCn1nc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)cc1C ZINC000257230768 244212823 /nfs/dbraw/zinc/21/28/23/244212823.db2.gz GDVOWSBJWMHWET-SFHVURJKSA-N 0 0 340.427 2.257 40 0 EEABRN O=C(CCc1ccccc1)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000072388334 203211728 /nfs/dbraw/zinc/21/17/28/203211728.db2.gz PKPJFBZZCKJLKD-KRWDZBQOSA-N 0 0 325.412 2.127 40 0 EEABRN Cc1cccc(Nc2nccnc2[C@@H]2CCCN2CC(=O)N(C)C)n1 ZINC000072384809 203211779 /nfs/dbraw/zinc/21/17/79/203211779.db2.gz ANMMRPQAKBAMEO-AWEZNQCLSA-N 0 0 340.431 2.149 40 0 EEABRN CNC(=O)c1ccc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc1 ZINC000072388081 203212100 /nfs/dbraw/zinc/21/21/00/203212100.db2.gz UMWGWNMGLKGMGJ-KRWDZBQOSA-N 0 0 329.375 2.154 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257232879 244220962 /nfs/dbraw/zinc/22/09/62/244220962.db2.gz GMUVWXVJILMBRB-MRXNPFEDSA-N 0 0 337.427 2.492 40 0 EEABRN Cc1csc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257239309 244237834 /nfs/dbraw/zinc/23/78/34/244237834.db2.gz HOSTZIJKZVIUPU-ZDUSSCGKSA-N 0 0 333.413 2.026 40 0 EEABRN Cc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(N2CCOC2=O)n1 ZINC000257239096 244239453 /nfs/dbraw/zinc/23/94/53/244239453.db2.gz HNYAZVWHTQKLOS-GFCCVEGCSA-N 0 0 348.403 2.466 40 0 EEABRN Cc1cc(Cc2ccccc2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360619 203206480 /nfs/dbraw/zinc/20/64/80/203206480.db2.gz CWXNHZOTZSPIQS-INIZCTEOSA-N 0 0 331.441 2.472 40 0 EEABRN Nc1nc2nc([C@@H]3CCN(C(=O)c4cscn4)C3)ccc2s1 ZINC000072368633 203207010 /nfs/dbraw/zinc/20/70/10/203207010.db2.gz UQJXMZKOEGRGBY-MRVPVSSYSA-N 0 0 331.426 2.360 40 0 EEABRN COc1cccc(-c2cccc([C@H]3CCCN(CC(N)=O)C3)n2)c1 ZINC000072367814 203207842 /nfs/dbraw/zinc/20/78/42/203207842.db2.gz NKOCMXXNNJRVND-HNNXBMFYSA-N 0 0 325.412 2.422 40 0 EEABRN CNc1cccc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 ZINC000072367559 203207972 /nfs/dbraw/zinc/20/79/72/203207972.db2.gz KHDOTAXTQSBFEV-CYBMUJFWSA-N 0 0 336.417 2.254 40 0 EEABRN COc1ccccc1Cc1cccc([C@H]2CCCN2CC(N)=O)n1 ZINC000072367504 203208008 /nfs/dbraw/zinc/20/80/08/203208008.db2.gz JBEDJQPYJKXBSN-QGZVFWFLSA-N 0 0 325.412 2.303 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@@]12CCCO2 ZINC000257246865 244258104 /nfs/dbraw/zinc/25/81/04/244258104.db2.gz IWDXGDXKHWFPMF-WMZOPIPTSA-N 0 0 329.400 2.281 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2ccc(-c3cccc(CO)c3)nn2)C1 ZINC000072365868 203208253 /nfs/dbraw/zinc/20/82/53/203208253.db2.gz SGZWZBIQSYAPFP-HNNXBMFYSA-N 0 0 325.412 2.437 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cccc(F)c2C)CC[C@@]12CCCO2 ZINC000257247292 244261242 /nfs/dbraw/zinc/26/12/42/244261242.db2.gz IYIBHNZTUYQCBL-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN Cc1nc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251947 244269534 /nfs/dbraw/zinc/26/95/34/244269534.db2.gz JSYUTENBWGIZHL-GOSISDBHSA-N 0 0 339.395 2.340 40 0 EEABRN Cc1cc(N2CCOC2=O)nc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 ZINC000257257762 244288555 /nfs/dbraw/zinc/28/85/55/244288555.db2.gz KQYZBLMOOYDZOB-LBPRGKRZSA-N 0 0 332.404 2.451 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cccs2)n1 ZINC000257258726 244290930 /nfs/dbraw/zinc/29/09/30/244290930.db2.gz KVFWKDUZOVJTRY-CQSZACIVSA-N 0 0 330.413 2.152 40 0 EEABRN CCn1cc(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)cn1 ZINC000072572616 203238014 /nfs/dbraw/zinc/23/80/14/203238014.db2.gz WAMIFJSGJDUKEM-CQSZACIVSA-N 0 0 328.416 2.168 40 0 EEABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257263841 244355320 /nfs/dbraw/zinc/35/53/20/244355320.db2.gz LRSHEVDFOUDCNI-HNNXBMFYSA-N 0 0 327.432 2.209 40 0 EEABRN Cc1ncc(-c2cncc(CC3CCN(c4ccncn4)CC3)n2)n1C ZINC000257274158 244385336 /nfs/dbraw/zinc/38/53/36/244385336.db2.gz NJURPHDHDVGGFQ-UHFFFAOYSA-N 0 0 349.442 2.435 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3snnc3C(C)C)CCO2)n1 ZINC000257275590 244392376 /nfs/dbraw/zinc/39/23/76/244392376.db2.gz NPZBZYUZOFBGPF-GFCCVEGCSA-N 0 0 347.444 2.312 40 0 EEABRN CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)C3)c1C ZINC000257319974 244516099 /nfs/dbraw/zinc/51/60/99/244516099.db2.gz VUUYKCBYONMEAY-NQUFMGSDSA-N 0 0 344.459 2.285 40 0 EEABRN Cc1cc(C)cc(-n2ccnc2SCCNS(C)(=O)=O)c1 ZINC000078552770 203421483 /nfs/dbraw/zinc/42/14/83/203421483.db2.gz SFQSMJUBHHGGCF-UHFFFAOYSA-N 0 0 325.459 2.130 40 0 EEABRN CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccccn3)cc2C[C@@H]1C ZINC000079248590 203441289 /nfs/dbraw/zinc/44/12/89/203441289.db2.gz GYQUOWQDKALMHY-LBPRGKRZSA-N 0 0 345.424 2.204 40 0 EEABRN O=C(N[C@H]1CCCc2nc(N3CCOCC3)ncc21)C1CCCCC1 ZINC000013265696 284188536 /nfs/dbraw/zinc/18/85/36/284188536.db2.gz YQPPFUJTJYWVHE-INIZCTEOSA-N 0 0 344.459 2.387 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000096105840 203834236 /nfs/dbraw/zinc/83/42/36/203834236.db2.gz QSAHGLHBPGPUBZ-INIZCTEOSA-N 0 0 337.391 2.249 40 0 EEABRN CCO[C@@H]1CO[C@]2(C1)CCCN(C(=O)COc1ccccc1OC)C2 ZINC000096107470 203836413 /nfs/dbraw/zinc/83/64/13/203836413.db2.gz YZFGAMFMOWYYFT-KXBFYZLASA-N 0 0 349.427 2.261 40 0 EEABRN C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccsc1 ZINC000096109710 203837752 /nfs/dbraw/zinc/83/77/52/203837752.db2.gz NPUCNXCKNYZJLI-CYBMUJFWSA-N 0 0 348.472 2.126 40 0 EEABRN O=C(CSC1CCCC1)NCCn1nc(-c2ccco2)ccc1=O ZINC000042379608 204092272 /nfs/dbraw/zinc/09/22/72/204092272.db2.gz UFNRHUKOZCVZHH-UHFFFAOYSA-N 0 0 347.440 2.295 40 0 EEABRN Cc1cc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc1C ZINC000044818285 204308193 /nfs/dbraw/zinc/30/81/93/204308193.db2.gz QDFLWIOFHNLXHK-KRWDZBQOSA-N 0 0 343.408 2.477 40 0 EEABRN O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)NCC(F)(F)F ZINC000046167673 204334582 /nfs/dbraw/zinc/33/45/82/204334582.db2.gz RUTNOOMPLAAKRM-UHFFFAOYSA-N 0 0 349.784 2.136 40 0 EEABRN CC(C)c1ccc(C(=O)NC(=S)N2CCC(C(N)=O)CC2)cc1 ZINC000226350277 205129873 /nfs/dbraw/zinc/12/98/73/205129873.db2.gz YYOVJEAAXQIQJK-UHFFFAOYSA-N 0 0 333.457 2.022 40 0 EEABRN CCc1ccc(C(=O)NC(=S)N2CCC(C(=O)OC)CC2)cc1 ZINC000226349978 205130290 /nfs/dbraw/zinc/13/02/90/205130290.db2.gz KQVFKJFFCAUUCH-UHFFFAOYSA-N 0 0 334.441 2.149 40 0 EEABRN Cn1cc([C@@H]2CCN(C(=O)Nc3cccc(-n4ccnn4)c3)C2)cn1 ZINC000130689342 205250995 /nfs/dbraw/zinc/25/09/95/205250995.db2.gz QJLZRBNCEAZHQI-CYBMUJFWSA-N 0 0 337.387 2.022 40 0 EEABRN COC(=O)c1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1 ZINC000000413094 205453588 /nfs/dbraw/zinc/45/35/88/205453588.db2.gz KRMMCETWNUZEJV-UHFFFAOYSA-N 0 0 348.428 2.456 40 0 EEABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)c3ccco3)cc2c1 ZINC000000414283 205455322 /nfs/dbraw/zinc/45/53/22/205455322.db2.gz SULFWNMTZDLDQY-UHFFFAOYSA-N 0 0 340.379 2.373 40 0 EEABRN CNS(=O)(=O)CC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000083614838 217548957 /nfs/dbraw/zinc/54/89/57/217548957.db2.gz JYLIMFCSVWWGFU-CQSZACIVSA-N 0 0 346.452 2.422 40 0 EEABRN C[C@@H](c1ccccc1F)N(Cc1nc(N)nc(N(C)C)n1)C1CC1 ZINC000083169041 296239578 /nfs/dbraw/zinc/23/95/78/296239578.db2.gz ZVGLWGJGRFWUKR-NSHDSACASA-N 0 0 330.411 2.385 40 0 EEABRN C[C@@H](c1cccnc1)N1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424294 296242194 /nfs/dbraw/zinc/24/21/94/296242194.db2.gz WTMRDEQMGGAUET-KBXCAEBGSA-N 0 0 342.418 2.126 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096057992 296263764 /nfs/dbraw/zinc/26/37/64/296263764.db2.gz PFICJYSUDPNCSS-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCNC(=O)CC1 ZINC000095443634 218388216 /nfs/dbraw/zinc/38/82/16/218388216.db2.gz VDZRVENYBJZGQW-SNVBAGLBSA-N 0 0 344.242 2.456 40 0 EEABRN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112098 218608386 /nfs/dbraw/zinc/60/83/86/218608386.db2.gz HAZDRBQLVUNTKV-DOMZBBRYSA-N 0 0 330.363 2.300 40 0 biogenic,in-vitro EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cc1csc(C(C)(C)C)n1 ZINC000096412818 218769657 /nfs/dbraw/zinc/76/96/57/218769657.db2.gz UEZPBVWOHGKADF-GHMZBOCLSA-N 0 0 344.502 2.017 40 0 EEABRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C[C@H]3CCCO3)C2=O)c(C)c1 ZINC000189914717 291809034 /nfs/dbraw/zinc/80/90/34/291809034.db2.gz ITDZDXSMJHRODA-HZPDHXFCSA-N 0 0 330.428 2.402 40 0 EEABRN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1(C)C ZINC000096418959 218781849 /nfs/dbraw/zinc/78/18/49/218781849.db2.gz UWYCILPTQKPFIO-BZUAXINKSA-N 0 0 336.476 2.297 40 0 EEABRN O=C(Cn1cccn1)NCC1(c2ccccc2Br)CC1 ZINC000096420574 218785062 /nfs/dbraw/zinc/78/50/62/218785062.db2.gz UKQNLELVQRODHN-UHFFFAOYSA-N 0 0 334.217 2.494 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000096426338 218796306 /nfs/dbraw/zinc/79/63/06/218796306.db2.gz WSJWXXLQMHXPOA-HOTGVXAUSA-N 0 0 341.411 2.273 40 0 EEABRN C[C@@H](CC(=O)NCCS(C)(=O)=O)c1ccccc1Br ZINC000096430625 218804006 /nfs/dbraw/zinc/80/40/06/218804006.db2.gz HDFUDGNDYVDKHS-JTQLQIEISA-N 0 0 348.262 2.104 40 0 EEABRN CSC(C)(C)CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000096439259 218818811 /nfs/dbraw/zinc/81/88/11/218818811.db2.gz GELGOEPATMDWAX-JTQLQIEISA-N 0 0 327.416 2.311 40 0 EEABRN COC(=O)[C@H](C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000096449232 218832266 /nfs/dbraw/zinc/83/22/66/218832266.db2.gz CCTOYLVKUGCLEU-ABAIWWIYSA-N 0 0 327.384 2.179 40 0 EEABRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1c(=O)oc2cccnc21 ZINC000096475823 218852647 /nfs/dbraw/zinc/85/26/47/218852647.db2.gz SEFWXJMYDSHPHN-SNVBAGLBSA-N 0 0 347.321 2.487 40 0 EEABRN COCCCn1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000097374987 219018549 /nfs/dbraw/zinc/01/85/49/219018549.db2.gz SSHMLQRYDWEFAU-AWEZNQCLSA-N 0 0 332.408 2.402 40 0 EEABRN C[C@@H](O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000097376619 219019317 /nfs/dbraw/zinc/01/93/17/219019317.db2.gz RJZZJWRHOKHNDX-SNVBAGLBSA-N 0 0 328.206 2.200 40 0 EEABRN CCN1C[C@@H](c2nc(Cc3csc([C@H](C)OC)n3)no2)CC1=O ZINC000273970635 256342366 /nfs/dbraw/zinc/34/23/66/256342366.db2.gz KFGIWRHGXAKUSW-UWVGGRQHSA-N 0 0 336.417 2.160 40 0 EEABRN CN(c1ccccc1C(=O)NC1CC1)S(=O)(=O)c1ccccc1 ZINC000409328241 257872747 /nfs/dbraw/zinc/87/27/47/257872747.db2.gz QMCRLHWXGUWTLK-UHFFFAOYSA-N 0 0 330.409 2.404 40 0 EEABRN CCOC(=O)N1CCN(C(=S)Nc2ccc3conc3c2)CC1 ZINC000409195141 257875305 /nfs/dbraw/zinc/87/53/05/257875305.db2.gz POEZRTLELTXNOP-UHFFFAOYSA-N 0 0 334.401 2.299 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000014397754 257858507 /nfs/dbraw/zinc/85/85/07/257858507.db2.gz GPXNBPOGYBMTPV-LBPRGKRZSA-N 0 0 330.425 2.287 40 0 EEABRN CC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138221 257923157 /nfs/dbraw/zinc/92/31/57/257923157.db2.gz RSORUXARJPDXCG-VQIMIIECSA-N 0 0 344.459 2.038 40 0 EEABRN O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCSCC1 ZINC000054780473 132192535 /nfs/dbraw/zinc/19/25/35/132192535.db2.gz ICNDBYMAXPGSHJ-UHFFFAOYSA-N 0 0 333.457 2.462 40 0 EEABRN c1sc(-c2ccccn2)nc1CN1CCN(c2ncccn2)CC1 ZINC000040030795 132397973 /nfs/dbraw/zinc/39/79/73/132397973.db2.gz WZAGPBWNMXZRAS-UHFFFAOYSA-N 0 0 338.440 2.317 40 0 EEABRN NC(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000040488155 132399946 /nfs/dbraw/zinc/39/99/46/132399946.db2.gz ZQJFCJLJACFSRE-CQSZACIVSA-N 0 0 333.395 2.394 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000003956111 135661476 /nfs/dbraw/zinc/66/14/76/135661476.db2.gz UOXXGHJISMIGSE-UHFFFAOYSA-N 0 0 339.443 2.338 40 0 EEABRN CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1cc(F)ccc1F ZINC000257225878 289028145 /nfs/dbraw/zinc/02/81/45/289028145.db2.gz FIFMEWGZPLPYBP-GOSISDBHSA-N 0 0 346.381 2.334 40 0 EEABRN CC(=O)N1CN(CCN2CCOCC2)Cc2c3c(sc21)CCCC3 ZINC000020192350 275471800 /nfs/dbraw/zinc/47/18/00/275471800.db2.gz ADSGCYIWEOFMSA-UHFFFAOYSA-N 0 0 349.500 2.085 40 0 EEABRN CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3scnc3C)[C@H]2C1 ZINC000096156997 277019534 /nfs/dbraw/zinc/01/95/34/277019534.db2.gz WRHNYMRNXBSKKI-JYJNAYRXSA-N 0 0 341.436 2.498 40 0 EEABRN CC(C)c1cc(C(=O)N2CCCCCC2)nc(N2CCOCC2)n1 ZINC000096100987 278007714 /nfs/dbraw/zinc/00/77/14/278007714.db2.gz MCSFYVFAYRETKG-UHFFFAOYSA-N 0 0 332.448 2.453 40 0 EEABRN Cc1nc2c(c(N3CCn4c(nnc4C(F)(F)F)C3)n1)CCCC2 ZINC000242339130 279112421 /nfs/dbraw/zinc/11/24/21/279112421.db2.gz ZFDNPORWKKRGMV-UHFFFAOYSA-N 0 0 338.337 2.294 40 0 EEABRN O=C(Nc1ccc(I)cn1)c1ccncc1 ZINC000086997161 280020098 /nfs/dbraw/zinc/02/00/98/280020098.db2.gz QGYUVLXBQCWZOF-UHFFFAOYSA-N 0 0 325.109 2.334 40 0 EEABRN C[C@H](OCC1CC1)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000096406385 290174273 /nfs/dbraw/zinc/17/42/73/290174273.db2.gz IGACYICXMXLLQD-XHDPSFHLSA-N 0 0 326.387 2.499 40 0 EEABRN O=C(c1ccccc1-n1ccnn1)N1CCN2CCOc3cccc1c32 ZINC000253427016 304563995 /nfs/dbraw/zinc/56/39/95/304563995.db2.gz UQGJNIHXTPBJHX-UHFFFAOYSA-N 0 0 347.378 2.127 40 0 EEABRN CC[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000097102925 323321018 /nfs/dbraw/zinc/32/10/18/323321018.db2.gz JUHZHBJPYRDIEH-CYBMUJFWSA-N 0 0 336.461 2.248 40 0 EEABRN CNC(=O)c1cccc(CN2CCOC[C@@H]2CC(=O)c2ccco2)c1 ZINC000097103296 323321115 /nfs/dbraw/zinc/32/11/15/323321115.db2.gz CLIXHMZELPNVHP-INIZCTEOSA-N 0 0 342.395 2.113 40 0 EEABRN COc1ccc(CN2C(=O)N[C@](C)(c3cc(F)cc(F)c3)C2=O)cn1 ZINC000155695639 323332736 /nfs/dbraw/zinc/33/27/36/323332736.db2.gz BVPLQYPNCJCCBW-QGZVFWFLSA-N 0 0 347.321 2.336 40 0 EEABRN Cc1occc1C(=O)NCC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000155970476 323333066 /nfs/dbraw/zinc/33/30/66/323333066.db2.gz YEAVBFQBUGBPBI-XIKOKIGWSA-N 0 0 336.432 2.011 40 0 EEABRN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000252489026 464965696 /nfs/dbraw/zinc/96/56/96/464965696.db2.gz JDURPQTYQJTIMP-MAUKXSAKSA-N 0 0 344.459 2.477 40 0 EEABRN O=C([C@@H]1CCn2cncc2C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000328946536 465177439 /nfs/dbraw/zinc/17/74/39/465177439.db2.gz MHWQLBIYVWARHU-BXUZGUMPSA-N 0 0 330.413 2.047 40 0 EEABRN O=C(CC(c1ccccc1)c1ccccc1)N1CCOC[C@H]1CO ZINC000085469599 462550109 /nfs/dbraw/zinc/55/01/09/462550109.db2.gz XMLZXRZTVFQZEB-GOSISDBHSA-N 0 0 325.408 2.428 40 0 EEABRN CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000410560 462559272 /nfs/dbraw/zinc/55/92/72/462559272.db2.gz AUGZRGONCYOIHM-UHFFFAOYSA-N 0 0 338.473 2.250 40 0 EEABRN COC(=O)c1cccc(COC(=O)CNC(=O)c2cccs2)c1 ZINC000000564063 462569818 /nfs/dbraw/zinc/56/98/18/462569818.db2.gz UTFVIRUFICVBSF-UHFFFAOYSA-N 0 0 333.365 2.008 40 0 EEABRN COc1cccc(OC)c1NC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000001357838 462579993 /nfs/dbraw/zinc/57/99/93/462579993.db2.gz ZIVDKERDRPLSHH-ZDUSSCGKSA-N 0 0 342.399 2.349 40 0 EEABRN Cc1cc(C)n(CCN2CCN(C(=O)Cc3cccc(C)c3)CC2)n1 ZINC000062022058 462606644 /nfs/dbraw/zinc/60/66/44/462606644.db2.gz AAWITIRMBZWQRK-UHFFFAOYSA-N 0 0 340.471 2.195 40 0 EEABRN CCCc1nnc(NC(=O)N[C@@H]2CCCn3nc(CC)nc32)s1 ZINC000088348079 462624604 /nfs/dbraw/zinc/62/46/04/462624604.db2.gz HJUOWPWPDBMLGQ-SECBINFHSA-N 0 0 335.437 2.301 40 0 EEABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)N[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000004073230 462627731 /nfs/dbraw/zinc/62/77/31/462627731.db2.gz BEZLPZKFPUFLLK-LYYZXLFJSA-N 0 0 341.480 2.107 40 0 EEABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc2ccccc2n1 ZINC000046088227 462645860 /nfs/dbraw/zinc/64/58/60/462645860.db2.gz IECLYMSILVQEGO-UHFFFAOYSA-N 0 0 335.367 2.114 40 0 EEABRN Cc1ccc(NC(=O)CNc2ncnc3c2cnn3C)c(Cl)c1 ZINC000063737290 462667975 /nfs/dbraw/zinc/66/79/75/462667975.db2.gz QIYFOKNTBCVZAD-UHFFFAOYSA-N 0 0 330.779 2.376 40 0 EEABRN CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000006326272 462683263 /nfs/dbraw/zinc/68/32/63/462683263.db2.gz NLWMKOWGFHWEPP-QPEQYQDCSA-N 0 0 334.397 2.201 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cs1 ZINC000006680916 462697014 /nfs/dbraw/zinc/69/70/14/462697014.db2.gz MPTSTUOVYQEPCW-LLVKDONJSA-N 0 0 330.475 2.309 40 0 EEABRN Cc1cc(NC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)on1 ZINC000075486129 462721732 /nfs/dbraw/zinc/72/17/32/462721732.db2.gz GVPDOKQMHZQAMV-HNNXBMFYSA-N 0 0 343.431 2.315 40 0 EEABRN CC(C)(C)SCCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000010333630 462817479 /nfs/dbraw/zinc/81/74/79/462817479.db2.gz UBJPVJXSLFTCHW-UHFFFAOYSA-N 0 0 330.475 2.320 40 0 EEABRN O=C(CCn1ccnc1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086977 462842395 /nfs/dbraw/zinc/84/23/95/462842395.db2.gz TUOZVMMBKVFCFH-MRXNPFEDSA-N 0 0 341.411 2.462 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012406998 462853038 /nfs/dbraw/zinc/85/30/38/462853038.db2.gz WIXFAUDAHMIAAV-MXWKQRLJSA-N 0 0 335.358 2.424 40 0 EEABRN O=C(CC1CCCC1)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000013268125 462888880 /nfs/dbraw/zinc/88/88/80/462888880.db2.gz PWJDZQILSFMQQF-UHFFFAOYSA-N 0 0 339.399 2.104 40 0 EEABRN CC[C@@H](C(=O)N1CCC(C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711130 462901192 /nfs/dbraw/zinc/90/11/92/462901192.db2.gz VBPUGIIXXGPXSW-INIZCTEOSA-N 0 0 338.473 2.490 40 0 EEABRN Cc1cc(N2CCN(CCN3CCCC3=O)CC2)nc2ccccc12 ZINC000019119016 463013867 /nfs/dbraw/zinc/01/38/67/463013867.db2.gz LATVZIINJSKZSN-UHFFFAOYSA-N 0 0 338.455 2.288 40 0 EEABRN CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694905 463019206 /nfs/dbraw/zinc/01/92/06/463019206.db2.gz YJKCCQRSZFHEOV-MRXNPFEDSA-N 0 0 344.390 2.269 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@@H]2COCC1CC1 ZINC000096045240 463148907 /nfs/dbraw/zinc/14/89/07/463148907.db2.gz DOHAAZUTQBIJMN-OAHLLOKOSA-N 0 0 342.443 2.408 40 0 EEABRN O=C(Cc1cccs1)NC[C@@H]1OCCc2cn(CC3CC3)nc21 ZINC000096044375 463149372 /nfs/dbraw/zinc/14/93/72/463149372.db2.gz VPZCEFQYNBZAHB-HNNXBMFYSA-N 0 0 331.441 2.327 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccsc3)CC2)O1 ZINC000096061193 463161242 /nfs/dbraw/zinc/16/12/42/463161242.db2.gz WIQOXZOEFGCHQK-HNNXBMFYSA-N 0 0 348.468 2.428 40 0 EEABRN O=C(c1ccco1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096066871 463164281 /nfs/dbraw/zinc/16/42/81/463164281.db2.gz VRYXBPBXLWVIID-AWEZNQCLSA-N 0 0 338.367 2.222 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC000096080445 463169421 /nfs/dbraw/zinc/16/94/21/463169421.db2.gz ZJGBOXQPYLNFOP-MRXNPFEDSA-N 0 0 348.468 2.022 40 0 EEABRN CN(C)C(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)C[C@H]1O2 ZINC000096083577 463170657 /nfs/dbraw/zinc/17/06/57/463170657.db2.gz NCLBBFNEBUXPIN-HZSPNIEDSA-N 0 0 337.807 2.049 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCO[C@H](CO)C1)c1ccccc1Cl ZINC000078973763 463172759 /nfs/dbraw/zinc/17/27/59/463172759.db2.gz JBINZZYMZIXIJA-WFASDCNBSA-N 0 0 326.824 2.440 40 0 EEABRN O=C(c1cocn1)N1CCC2(CO[C@@H](COc3cccnc3)C2)CC1 ZINC000096106131 463173807 /nfs/dbraw/zinc/17/38/07/463173807.db2.gz IZXMCTJOWWMINQ-OAHLLOKOSA-N 0 0 343.383 2.160 40 0 EEABRN CCOc1ccccc1CNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000053670828 463181749 /nfs/dbraw/zinc/18/17/49/463181749.db2.gz PLPDAISGRXCYRK-UHFFFAOYSA-N 0 0 349.408 2.350 40 0 EEABRN CCc1nc(CCNc2ccc(C(=O)NCCOC)cn2)cs1 ZINC000079031109 463181982 /nfs/dbraw/zinc/18/19/82/463181982.db2.gz KAQBBUBJRLCKGQ-UHFFFAOYSA-N 0 0 334.445 2.131 40 0 EEABRN O=C(/C=C/c1cccnc1)NCCCc1nnc2n1CCCCC2 ZINC000079050658 463183468 /nfs/dbraw/zinc/18/34/68/463183468.db2.gz DDRJVYABUUEYFQ-MDZDMXLPSA-N 0 0 325.416 2.162 40 0 EEABRN Cc1cnc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)nc1 ZINC000096157645 463189626 /nfs/dbraw/zinc/18/96/26/463189626.db2.gz PCSMYUVFSAJLCE-UHFFFAOYSA-N 0 0 337.427 2.313 40 0 EEABRN Cc1cc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)n(C)n1 ZINC000096192412 463201116 /nfs/dbraw/zinc/20/11/16/463201116.db2.gz BBTJYMSGQKPQJY-UHFFFAOYSA-N 0 0 340.305 2.116 40 0 EEABRN Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)N1CCCC1)C2 ZINC000096198039 463202727 /nfs/dbraw/zinc/20/27/27/463202727.db2.gz TYZJXLSJMTUSJJ-HNNXBMFYSA-N 0 0 341.415 2.009 40 0 EEABRN COCCC(=O)N1CCN(Cc2csc(C)n2)c2ncccc2C1 ZINC000096198962 463204134 /nfs/dbraw/zinc/20/41/34/463204134.db2.gz NECKUVGHJMMETM-UHFFFAOYSA-N 0 0 346.456 2.232 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096199617 463204169 /nfs/dbraw/zinc/20/41/69/463204169.db2.gz AENRSPLVAFNEGD-INIZCTEOSA-N 0 0 335.407 2.360 40 0 EEABRN CCO[C@@H]1CCN(C(=O)Cc2ccsc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200634 463205571 /nfs/dbraw/zinc/20/55/71/463205571.db2.gz AQRZXZAHIGYVJJ-HZPDHXFCSA-N 0 0 333.457 2.273 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199927 463205811 /nfs/dbraw/zinc/20/58/11/463205811.db2.gz IVPOBSAHVFCSGK-INIZCTEOSA-N 0 0 339.395 2.262 40 0 EEABRN Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000079359822 463208169 /nfs/dbraw/zinc/20/81/69/463208169.db2.gz IKCVJCMMDIWBMM-YPMHNXCESA-N 0 0 334.763 2.190 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@@]2(C1)CCCN(c1ccccn1)C2 ZINC000096216817 463214826 /nfs/dbraw/zinc/21/48/26/463214826.db2.gz BRGIHUOVXUPKEP-IBGZPJMESA-N 0 0 329.444 2.327 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c(C)o1 ZINC000096219692 463216912 /nfs/dbraw/zinc/21/69/12/463216912.db2.gz PLJFLHIMKMPBIF-KCQAQPDRSA-N 0 0 331.372 2.060 40 0 EEABRN Cc1ccc(N2CCC[C@]3(CN(Cc4ccccn4)CCO3)C2)nn1 ZINC000096226544 463220689 /nfs/dbraw/zinc/22/06/89/463220689.db2.gz YEUNJARLZZWKOF-IBGZPJMESA-N 0 0 339.443 2.051 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2CN(Cc3nccs3)CC[C@@H]2C1 ZINC000096249875 463227599 /nfs/dbraw/zinc/22/75/99/463227599.db2.gz WHLPMSPHUQETFV-UKRRQHHQSA-N 0 0 347.440 2.099 40 0 EEABRN O=C(NCC1CC1)[C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096253047 463228651 /nfs/dbraw/zinc/22/86/51/463228651.db2.gz XXJHGQNNWKRSAV-IXDOHACOSA-N 0 0 334.847 2.456 40 0 EEABRN O=C(c1cscn1)N1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255767 463229127 /nfs/dbraw/zinc/22/91/27/463229127.db2.gz JICLVWURZZDDGH-UHFFFAOYSA-N 0 0 329.429 2.139 40 0 EEABRN c1cc(CN2CCn3c(COCc4cccnc4)nnc3C2)cs1 ZINC000096259060 463230221 /nfs/dbraw/zinc/23/02/21/463230221.db2.gz JJCBKGSFPSBWPJ-UHFFFAOYSA-N 0 0 341.440 2.467 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccc2cn[nH]c21 ZINC000096402350 463237336 /nfs/dbraw/zinc/23/73/36/463237336.db2.gz WBUQZHOULSNMEE-HNNXBMFYSA-N 0 0 338.367 2.077 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)cc1F ZINC000096403795 463238092 /nfs/dbraw/zinc/23/80/92/463238092.db2.gz NFEIJCUGQLDWSR-LLVKDONJSA-N 0 0 333.363 2.036 40 0 EEABRN COc1ccccc1CCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000096405544 463239636 /nfs/dbraw/zinc/23/96/36/463239636.db2.gz PLPUVPXGSVPABV-INIZCTEOSA-N 0 0 345.443 2.034 40 0 EEABRN CN(C)[C@@H](CNC(=O)c1cn2cccnc2n1)c1c(F)cccc1F ZINC000096406369 463240603 /nfs/dbraw/zinc/24/06/03/463240603.db2.gz HWFNNOBLUNGPJE-AWEZNQCLSA-N 0 0 345.353 2.040 40 0 EEABRN CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 ZINC000096410232 463242880 /nfs/dbraw/zinc/24/28/80/463242880.db2.gz QBGUCRIBUUFSRE-KRWDZBQOSA-N 0 0 344.436 2.404 40 0 EEABRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nc(N)nc(N(C)C)n1 ZINC000096413240 463245701 /nfs/dbraw/zinc/24/57/01/463245701.db2.gz WYFOYDNJILVPNN-WCQYABFASA-N 0 0 330.411 2.037 40 0 EEABRN CCc1ccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)cc1 ZINC000096413589 463246146 /nfs/dbraw/zinc/24/61/46/463246146.db2.gz MTCNNFXTKRIKBI-UHFFFAOYSA-N 0 0 330.388 2.053 40 0 EEABRN O=C(Nc1ccc2oc(=O)ccc2c1)C(=O)N1CCc2ccccc2C1 ZINC000096413470 463246229 /nfs/dbraw/zinc/24/62/29/463246229.db2.gz CAXQFZKJEXBZMU-UHFFFAOYSA-N 0 0 348.358 2.316 40 0 EEABRN CSC[C@@](C)(O)CNC(=O)c1cc(F)ccc1Br ZINC000096414646 463246821 /nfs/dbraw/zinc/24/68/21/463246821.db2.gz XWMWOIOJIUWWHQ-LBPRGKRZSA-N 0 0 336.226 2.432 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096414078 463246900 /nfs/dbraw/zinc/24/69/00/463246900.db2.gz GACWXPOUWCZIQO-NSHDSACASA-N 0 0 334.725 2.162 40 0 EEABRN CC(C)(C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1F ZINC000096414071 463247273 /nfs/dbraw/zinc/24/72/73/463247273.db2.gz VUIOHKZCOJBXKB-SNVBAGLBSA-N 0 0 346.324 2.383 40 0 EEABRN O=C(CCn1ccccc1=O)NCc1ccccc1OCC1CC1 ZINC000096416754 463249743 /nfs/dbraw/zinc/24/97/43/463249743.db2.gz DQOYORCLARCMPZ-UHFFFAOYSA-N 0 0 326.396 2.344 40 0 EEABRN C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000096425759 463254878 /nfs/dbraw/zinc/25/48/78/463254878.db2.gz BIBSXISHOUIJCI-VIFPVBQESA-N 0 0 341.326 2.150 40 0 EEABRN CC(C)c1cc(N2CCC[C@H](N3CCCC3=O)C2)nc(N(C)C)n1 ZINC000096429474 463259344 /nfs/dbraw/zinc/25/93/44/463259344.db2.gz LZWLOAKCJWEFHB-AWEZNQCLSA-N 0 0 331.464 2.257 40 0 EEABRN C=CC(=O)NCCNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000096430967 463260296 /nfs/dbraw/zinc/26/02/96/463260296.db2.gz UOOKXOCRIMERKZ-MRVPVSSYSA-N 0 0 331.235 2.033 40 0 EEABRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCS(=O)(=O)CC1 ZINC000096436324 463264050 /nfs/dbraw/zinc/26/40/50/463264050.db2.gz KSLWGBZYBWDENQ-CQSZACIVSA-N 0 0 338.473 2.322 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(Cc3cscn3)CC2)s1 ZINC000096441658 463267064 /nfs/dbraw/zinc/26/70/64/463267064.db2.gz SNUFUATURXTLCU-UHFFFAOYSA-N 0 0 338.458 2.099 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)NCC[C@H](O)C(F)(F)F)C12CCCC2 ZINC000096440935 463267155 /nfs/dbraw/zinc/26/71/55/463267155.db2.gz NDVTVLAAVJPCQP-GRYCIOLGSA-N 0 0 338.370 2.337 40 0 EEABRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCn1cnnc1C ZINC000096445306 463269729 /nfs/dbraw/zinc/26/97/29/463269729.db2.gz GPVMAFKUETWGCW-UHFFFAOYSA-N 0 0 344.806 2.164 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC(C)(C)C1(C)C ZINC000096460779 463277056 /nfs/dbraw/zinc/27/70/56/463277056.db2.gz HPFVJAFIJPQTKC-UHFFFAOYSA-N 0 0 328.434 2.099 40 0 EEABRN CCOCCNC(=O)c1c(F)cccc1I ZINC000096471909 463279240 /nfs/dbraw/zinc/27/92/40/463279240.db2.gz MBLNIBDSCLLYMB-UHFFFAOYSA-N 0 0 337.132 2.197 40 0 EEABRN CCc1sc([C@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1C ZINC000096483853 463282345 /nfs/dbraw/zinc/28/23/45/463282345.db2.gz GQIQBOYCKHYMCB-NWDGAFQWSA-N 0 0 344.502 2.414 40 0 EEABRN CC1(C)C[C@@H](NC(=O)NCCCCn2ccccc2=O)C(C)(C)O1 ZINC000096499776 463290363 /nfs/dbraw/zinc/29/03/63/463290363.db2.gz PZYRFHUJBLRDFM-CQSZACIVSA-N 0 0 335.448 2.274 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ncccc2F)c(C)c1F ZINC000096501611 463291016 /nfs/dbraw/zinc/29/10/16/463291016.db2.gz FHBZHQMQFADTBY-UHFFFAOYSA-N 0 0 328.340 2.155 40 0 EEABRN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCc2ccccc21 ZINC000096502385 463293323 /nfs/dbraw/zinc/29/33/23/463293323.db2.gz OAJCPTVFILLOLU-MRXNPFEDSA-N 0 0 336.395 2.349 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000080741178 463352519 /nfs/dbraw/zinc/35/25/19/463352519.db2.gz FBKNVTVOKDQUEP-BZSNNMDCSA-N 0 0 342.443 2.270 40 0 EEABRN Cc1cccnc1CNc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000097238234 463352934 /nfs/dbraw/zinc/35/29/34/463352934.db2.gz CJZLJOUONJSQBP-UHFFFAOYSA-N 0 0 340.427 2.273 40 0 EEABRN Cc1ncccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000097371170 463355574 /nfs/dbraw/zinc/35/55/74/463355574.db2.gz AWNZTLGYGYYJQX-KRWDZBQOSA-N 0 0 336.395 2.043 40 0 EEABRN Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)n1 ZINC000097372832 463355630 /nfs/dbraw/zinc/35/56/30/463355630.db2.gz IIMBTECZJRYSOW-GXTWGEPZSA-N 0 0 330.363 2.378 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(C)o3)C2=O)o1 ZINC000033741761 463424376 /nfs/dbraw/zinc/42/43/76/463424376.db2.gz GAFVDNAUASZCEZ-GHXNOFRVSA-N 0 0 330.296 2.061 40 0 EEABRN CCOc1ccccc1NC(=O)CSc1nnc2ncccn21 ZINC000035312377 463430680 /nfs/dbraw/zinc/43/06/80/463430680.db2.gz QIJXVWTWXZNXKV-UHFFFAOYSA-N 0 0 329.385 2.254 40 0 EEABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1nc2ncccn2n1 ZINC000036618726 463437430 /nfs/dbraw/zinc/43/74/30/463437430.db2.gz SNQKQBKMJIPVTH-UHFFFAOYSA-N 0 0 330.351 2.362 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(C)cc32)c(C)o1 ZINC000081727534 463484751 /nfs/dbraw/zinc/48/47/51/463484751.db2.gz IDJLLNMULKIQON-UHFFFAOYSA-N 0 0 334.397 2.007 40 0 EEABRN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccncc2)n1 ZINC000057824931 463521013 /nfs/dbraw/zinc/52/10/13/463521013.db2.gz PLSPOTDRAHRLGU-UHFFFAOYSA-N 0 0 349.394 2.402 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2C)CC1 ZINC000042185154 463549335 /nfs/dbraw/zinc/54/93/35/463549335.db2.gz KNGCXVSVYDVZGZ-HNNXBMFYSA-N 0 0 334.416 2.371 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000084591009 463613700 /nfs/dbraw/zinc/61/37/00/463613700.db2.gz GCKDYWPAGIVIBC-JSGCOSHPSA-N 0 0 340.445 2.243 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000084591011 463613753 /nfs/dbraw/zinc/61/37/53/463613753.db2.gz GCKDYWPAGIVIBC-TZMCWYRMSA-N 0 0 340.445 2.243 40 0 EEABRN CC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)nn1C ZINC000085263433 463643242 /nfs/dbraw/zinc/64/32/42/463643242.db2.gz OXOXHEDTTWMHKE-UHFFFAOYSA-N 0 0 349.504 2.183 40 0 EEABRN Cc1nn2cccnc2c1C(=O)O[C@H](c1cnn(C)c1)C(F)(F)F ZINC000073839589 463661163 /nfs/dbraw/zinc/66/11/63/463661163.db2.gz QYNJLSHTSSYHPM-LLVKDONJSA-N 0 0 339.277 2.232 40 0 EEABRN CCc1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)no1 ZINC000257216283 463756468 /nfs/dbraw/zinc/75/64/68/463756468.db2.gz CTWDKEMTDIVXQM-KRWDZBQOSA-N 0 0 327.384 2.283 40 0 EEABRN O=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257287787 463763333 /nfs/dbraw/zinc/76/33/33/463763333.db2.gz PRNIPOSLRMYSIX-QZTJIDSGSA-N 0 0 329.371 2.409 40 0 EEABRN CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 ZINC000257288568 463763361 /nfs/dbraw/zinc/76/33/61/463763361.db2.gz PUSIYSSIXDEOQB-OAHLLOKOSA-N 0 0 331.420 2.272 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c43)CCO2)n1 ZINC000257300771 463769040 /nfs/dbraw/zinc/76/90/40/463769040.db2.gz RVPPCTKJWXUHLZ-ZDUSSCGKSA-N 0 0 341.371 2.085 40 0 EEABRN CC(C)n1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000257309867 463771783 /nfs/dbraw/zinc/77/17/83/463771783.db2.gz UCSKVXMDHUFYTC-HNNXBMFYSA-N 0 0 348.472 2.350 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)cs1 ZINC000257315925 463774461 /nfs/dbraw/zinc/77/44/61/463774461.db2.gz VDGZDGJTGFKPAL-INIZCTEOSA-N 0 0 345.472 2.209 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cc2cccnc2)nc1 ZINC000257324044 463778299 /nfs/dbraw/zinc/77/82/99/463778299.db2.gz WMXLXTFCBYKGHV-SFHVURJKSA-N 0 0 338.411 2.019 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC(c2cncc(C)n2)CC1 ZINC000257327289 463779533 /nfs/dbraw/zinc/77/95/33/463779533.db2.gz XAVAZCNPDSRRNN-UHFFFAOYSA-N 0 0 327.432 2.340 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)n1 ZINC000257329690 463781332 /nfs/dbraw/zinc/78/13/32/463781332.db2.gz XLBIOKPIPIMBJY-AWEZNQCLSA-N 0 0 327.388 2.213 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)CCc2cccc(F)c2)cc(=O)[nH]1 ZINC000257332850 463781712 /nfs/dbraw/zinc/78/17/12/463781712.db2.gz XYYZDOXROOSRNP-INIZCTEOSA-N 0 0 345.374 2.162 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1cccc(C)n1 ZINC000257338378 463784052 /nfs/dbraw/zinc/78/40/52/463784052.db2.gz YXCGMHVTPSZHOR-INIZCTEOSA-N 0 0 325.416 2.466 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@H](c3ccnc(NC)c3)C2)n1 ZINC000257343770 463788236 /nfs/dbraw/zinc/78/82/36/463788236.db2.gz ZUIQGTTVDMVSHQ-AWEZNQCLSA-N 0 0 343.431 2.408 40 0 EEABRN CC(=O)c1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)ccc1C ZINC000194390628 463851029 /nfs/dbraw/zinc/85/10/29/463851029.db2.gz CHZLJGJQWRZMCA-UHFFFAOYSA-N 0 0 343.427 2.218 40 0 EEABRN Cc1ccc([C@H]2COCCN2C(=O)NCCc2c(C)nn(C)c2C)o1 ZINC000172057638 463979526 /nfs/dbraw/zinc/97/95/26/463979526.db2.gz KAFBZWUPFSNZOR-MRXNPFEDSA-N 0 0 346.431 2.264 40 0 EEABRN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000262333168 464004413 /nfs/dbraw/zinc/00/44/13/464004413.db2.gz WFMYLWILRFECSF-QGZVFWFLSA-N 0 0 347.436 2.476 40 0 EEABRN CC(=O)N1CC(C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000195202832 464017030 /nfs/dbraw/zinc/01/70/30/464017030.db2.gz FVHXEINSLSIUGI-UHFFFAOYSA-N 0 0 337.217 2.355 40 0 EEABRN CCOC[C@H](O)CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195530240 464071705 /nfs/dbraw/zinc/07/17/05/464071705.db2.gz HWZZQTKOSPVHRP-HUUCEWRRSA-N 0 0 344.249 2.220 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCC[C@@H](O)C(F)(F)F ZINC000195530557 464071995 /nfs/dbraw/zinc/07/19/95/464071995.db2.gz CHSAIKGGTKNOQM-GRYCIOLGSA-N 0 0 326.359 2.194 40 0 EEABRN CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000195545442 464074469 /nfs/dbraw/zinc/07/44/69/464074469.db2.gz ULAHCMOCNLTYAH-WBVLODKDSA-N 0 0 346.537 2.409 40 0 EEABRN CO[C@@H](C(=O)N[C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000195556693 464075602 /nfs/dbraw/zinc/07/56/02/464075602.db2.gz GIOYGLGATWBIDT-DLBZAZTESA-N 0 0 326.396 2.320 40 0 EEABRN CC[C@@]1(C)CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000195574738 464080034 /nfs/dbraw/zinc/08/00/34/464080034.db2.gz JDEHTAMBBGIKML-OCCSQVGLSA-N 0 0 337.386 2.081 40 0 EEABRN O=C(NC[C@H]1CC[C@@H](O)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000195578255 464080557 /nfs/dbraw/zinc/08/05/57/464080557.db2.gz NUBICWYVZPPSCM-WMLDXEAASA-N 0 0 349.450 2.250 40 0 EEABRN CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000221351447 464121889 /nfs/dbraw/zinc/12/18/89/464121889.db2.gz SRXLVIGVLLYGGR-UIMAMFOWSA-N 0 0 338.473 2.117 40 0 EEABRN CC(C)C(NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(C)C ZINC000222807060 464132932 /nfs/dbraw/zinc/13/29/32/464132932.db2.gz DYQSWYQVXFERFT-UHFFFAOYSA-N 0 0 326.462 2.104 40 0 EEABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccn1 ZINC000222900118 464134973 /nfs/dbraw/zinc/13/49/73/464134973.db2.gz TUVYNPFGBPXVGT-ZDUSSCGKSA-N 0 0 329.375 2.274 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000224960190 464152624 /nfs/dbraw/zinc/15/26/24/464152624.db2.gz WLQNEMAXTACQDE-UHFFFAOYSA-N 0 0 327.362 2.195 40 0 EEABRN COc1ccccc1O[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225270296 464156451 /nfs/dbraw/zinc/15/64/51/464156451.db2.gz LBMIWGRSLBRLGV-UONOGXRCSA-N 0 0 343.379 2.419 40 0 EEABRN CSc1cccc(C)c1NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000225478802 464164037 /nfs/dbraw/zinc/16/40/37/464164037.db2.gz VCZAYYWCIKAILC-LLVKDONJSA-N 0 0 333.417 2.440 40 0 EEABRN Cc1csc(C(=O)NCc2cc[nH]n2)c1I ZINC000225534509 464169377 /nfs/dbraw/zinc/16/93/77/464169377.db2.gz HXSVJIOGKJJSIY-UHFFFAOYSA-N 0 0 347.181 2.314 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000225671948 464179380 /nfs/dbraw/zinc/17/93/80/464179380.db2.gz WNTSKMLYILVOBP-TVQRCGJNSA-N 0 0 348.262 2.391 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Cl)cc(F)c1N ZINC000225562140 464172287 /nfs/dbraw/zinc/17/22/87/464172287.db2.gz ZORLDMHIEKJQMZ-NSHDSACASA-N 0 0 337.786 2.480 40 0 EEABRN CC(C)c1nnc(C(=O)NCc2cccnc2-n2ccnc2)s1 ZINC000225665296 464178346 /nfs/dbraw/zinc/17/83/46/464178346.db2.gz NALCELDEKRIXAM-UHFFFAOYSA-N 0 0 328.401 2.172 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000225676302 464179670 /nfs/dbraw/zinc/17/96/70/464179670.db2.gz RPBDVLPIWIBDJB-NSHDSACASA-N 0 0 331.384 2.419 40 0 EEABRN C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)n1cncn1 ZINC000180341411 464290181 /nfs/dbraw/zinc/29/01/81/464290181.db2.gz NOMQXYDGELFNIJ-WDEREUQCSA-N 0 0 337.786 2.027 40 0 EEABRN C[C@@](O)(CNC(=O)c1cncc(Br)c1)c1ccco1 ZINC000173674274 464306741 /nfs/dbraw/zinc/30/67/41/464306741.db2.gz CDERBVLVAVXFML-CYBMUJFWSA-N 0 0 325.162 2.075 40 0 EEABRN Cc1cccc(O[C@@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)n1 ZINC000238974274 464441339 /nfs/dbraw/zinc/44/13/39/464441339.db2.gz ZRLUMSYWGZZDIS-GFCCVEGCSA-N 0 0 333.775 2.438 40 0 EEABRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000241693922 464454211 /nfs/dbraw/zinc/45/42/11/464454211.db2.gz QIWGCZMMXFOTIN-BLLLJJGKSA-N 0 0 343.427 2.187 40 0 EEABRN Cn1cc(CN2CCCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000242317009 464457966 /nfs/dbraw/zinc/45/79/66/464457966.db2.gz YWNDQEOUSNHYAN-OAHLLOKOSA-N 0 0 340.418 2.280 40 0 EEABRN CCOc1ccnc(N2CCCN(c3ccc(C(C)=O)cn3)CC2)n1 ZINC000181224796 464459928 /nfs/dbraw/zinc/45/99/28/464459928.db2.gz KMZOMDGSCJIVKE-UHFFFAOYSA-N 0 0 341.415 2.190 40 0 EEABRN COCCCNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000244212886 464460749 /nfs/dbraw/zinc/46/07/49/464460749.db2.gz VVHDYWRVHPKJNS-UHFFFAOYSA-N 0 0 340.423 2.087 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)N2CCOC[C@H]2C)s1 ZINC000245316702 464470232 /nfs/dbraw/zinc/47/02/32/464470232.db2.gz KFBGHFLQPKFCRM-VHSXEESVSA-N 0 0 348.415 2.497 40 0 EEABRN O=C(C[C@@H]1CN(CC2CC2)Cc2ccnn21)NCc1cccs1 ZINC000247807536 464707467 /nfs/dbraw/zinc/70/74/67/464707467.db2.gz CFJKJTWYFOKRSW-OAHLLOKOSA-N 0 0 330.457 2.418 40 0 EEABRN O=C(Cc1ccco1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000247862577 464710623 /nfs/dbraw/zinc/71/06/23/464710623.db2.gz NFHPGHBOBDWFHJ-MRXNPFEDSA-N 0 0 329.400 2.419 40 0 EEABRN COc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@@H](OC)CS2 ZINC000247876732 464711810 /nfs/dbraw/zinc/71/18/10/464711810.db2.gz HGHYGTXGJHPRAS-CYBMUJFWSA-N 0 0 325.405 2.110 40 0 EEABRN CC(C)NC(=O)c1ccc2c(c1)C1(CCCC1)CN2S(C)(=O)=O ZINC000247988506 464721098 /nfs/dbraw/zinc/72/10/98/464721098.db2.gz JRLSDBOYRDJHTN-UHFFFAOYSA-N 0 0 336.457 2.416 40 0 EEABRN Cc1ccc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@H]2C)o1 ZINC000248080070 464728631 /nfs/dbraw/zinc/72/86/31/464728631.db2.gz IMMJRMMRWYNSSP-CQSZACIVSA-N 0 0 330.432 2.428 40 0 EEABRN O=C(Cc1ccc(I)cc1)Nc1cnns1 ZINC000191011329 464761366 /nfs/dbraw/zinc/76/13/66/464761366.db2.gz HHCCLVFPZLFYKO-UHFFFAOYSA-N 0 0 345.165 2.324 40 0 EEABRN CCc1nsc(N2CCCN(c3ncnc4onc(C)c43)CC2)n1 ZINC000192472785 464931743 /nfs/dbraw/zinc/93/17/43/464931743.db2.gz RQHMRLRXSUTKOH-UHFFFAOYSA-N 0 0 345.432 2.057 40 0 EEABRN Cc1cc(S(=O)(=O)CCO)ccc1NCc1cn2ccccc2n1 ZINC000192478606 464931810 /nfs/dbraw/zinc/93/18/10/464931810.db2.gz FESWBQOJRNBJBT-UHFFFAOYSA-N 0 0 345.424 2.021 40 0 EEABRN CN(c1nncs1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192623131 464960321 /nfs/dbraw/zinc/96/03/21/464960321.db2.gz KUQZFENQYPCEML-UHFFFAOYSA-N 0 0 325.415 2.077 40 0 EEABRN COC[C@H](O)CNC(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000252489724 464967161 /nfs/dbraw/zinc/96/71/61/464967161.db2.gz JYPCQYJLGHHUIX-IRUJWGPZSA-N 0 0 347.242 2.403 40 0 EEABRN O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC(CO)C1 ZINC000252494751 464967704 /nfs/dbraw/zinc/96/77/04/464967704.db2.gz ODOUKRZZFBKRLB-GDBMZVCRSA-N 0 0 336.229 2.104 40 0 EEABRN CN(C)c1noc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792575 464999891 /nfs/dbraw/zinc/99/98/91/464999891.db2.gz KZVZOROMSRFIJR-JTQLQIEISA-N 0 0 344.341 2.188 40 0 EEABRN C[C@@H](CNC(=O)[C@H]1CCc2n[nH]nc2C1)c1nc2ccccc2s1 ZINC000253418639 465007222 /nfs/dbraw/zinc/00/72/22/465007222.db2.gz WGBABCZMDBGZHV-QWRGUYRKSA-N 0 0 341.440 2.439 40 0 EEABRN Cn1nc(C(=O)N2CCC(c3nccs3)CC2)cc1OC(F)F ZINC000253431803 465014491 /nfs/dbraw/zinc/01/44/91/465014491.db2.gz UTEYVGVETUKPHV-UHFFFAOYSA-N 0 0 342.371 2.498 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000253432824 465015364 /nfs/dbraw/zinc/01/53/64/465015364.db2.gz OPCWHPQVZSCDNE-INIZCTEOSA-N 0 0 347.440 2.006 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000253478292 465016351 /nfs/dbraw/zinc/01/63/51/465016351.db2.gz KGADDKFKJSXXHX-INIZCTEOSA-N 0 0 342.395 2.431 40 0 EEABRN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(N(C)C)c2)C1 ZINC000192937480 465017976 /nfs/dbraw/zinc/01/79/76/465017976.db2.gz QNVCTOTYLSJREN-GJZGRUSLSA-N 0 0 330.388 2.046 40 0 EEABRN CC(C)C[C@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)N1CCCCC1=O ZINC000331335003 466037335 /nfs/dbraw/zinc/03/73/35/466037335.db2.gz UJSMEDYPPBSPPT-SNVBAGLBSA-N 0 0 346.353 2.794 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000306125235 466486174 /nfs/dbraw/zinc/48/61/74/466486174.db2.gz CKAMNZRTRKEZRO-HNNXBMFYSA-N 0 0 340.379 2.097 40 0 EEABRN Cc1cc(CN2Cc3cncn3[C@H](COc3ncccc3F)C2)no1 ZINC000306135306 466492580 /nfs/dbraw/zinc/49/25/80/466492580.db2.gz ONBYZWVMKINDCO-HNNXBMFYSA-N 0 0 343.362 2.350 40 0 EEABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)N1CCOCC1 ZINC000409230126 466686749 /nfs/dbraw/zinc/68/67/49/466686749.db2.gz BRFAFFIVJANRFX-UHFFFAOYSA-N 0 0 348.468 2.086 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cn1 ZINC000390830200 467413458 /nfs/dbraw/zinc/41/34/58/467413458.db2.gz JLCJCVORULOEOT-HNNXBMFYSA-N 0 0 341.415 2.425 40 0 EEABRN Cc1cncc(CO[C@H]2CCOC3(CN(C(=O)C4CC(F)C4)C3)C2)c1 ZINC000575403940 468141497 /nfs/dbraw/zinc/14/14/97/468141497.db2.gz LITJVOLODAZXNE-JCYILVPMSA-N 0 0 348.418 2.415 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575607139 468146982 /nfs/dbraw/zinc/14/69/82/468146982.db2.gz XTNKEIYAPGBAGV-ZDUSSCGKSA-N 0 0 349.822 2.164 40 0 EEABRN CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)COc1ccccc1C ZINC000585094815 468963268 /nfs/dbraw/zinc/96/32/68/468963268.db2.gz NUICDMHYEWXPAG-HNNXBMFYSA-N 0 0 343.427 2.097 40 0 EEABRN Cc1nc(C(=O)NCC[C@@H]2CN(C3CCC3)Cc3ccnn32)cs1 ZINC000585111843 468974538 /nfs/dbraw/zinc/97/45/38/468974538.db2.gz CVATWQLUMIGOCN-CQSZACIVSA-N 0 0 345.472 2.377 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 ZINC000585112008 468974939 /nfs/dbraw/zinc/97/49/39/468974939.db2.gz GYCMQLKYKZGXCT-OAHLLOKOSA-N 0 0 343.431 2.229 40 0 EEABRN CN1CCCC[C@@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)C1=O ZINC000585140742 468988531 /nfs/dbraw/zinc/98/85/31/468988531.db2.gz KJTRUTKDPHULRS-APWZRJJASA-N 0 0 330.428 2.019 40 0 EEABRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000585141139 468989880 /nfs/dbraw/zinc/98/98/80/468989880.db2.gz PXCHAQKWAKNELG-SNVBAGLBSA-N 0 0 347.268 2.261 40 0 EEABRN CCO/C=C/[C@](O)(CNC(=O)Nc1ccc(F)cn1)C(F)(F)F ZINC000585140812 468990249 /nfs/dbraw/zinc/99/02/49/468990249.db2.gz LCUPPXHGPPFXMC-FYJFLYSWSA-N 0 0 337.273 2.186 40 0 EEABRN CC(=O)N1CC[C@H](CNS(=O)(=O)c2csc3ccccc32)C1 ZINC000585141497 468990591 /nfs/dbraw/zinc/99/05/91/468990591.db2.gz AGNJAGINVKWWLE-GFCCVEGCSA-N 0 0 338.454 2.048 40 0 EEABRN O=C(c1cccc(F)c1)N1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585269212 468997776 /nfs/dbraw/zinc/99/77/76/468997776.db2.gz LVNLLFMKOMZJCO-IBGZPJMESA-N 0 0 345.370 2.108 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)c(=O)[nH]1 ZINC000585279972 469006583 /nfs/dbraw/zinc/00/65/83/469006583.db2.gz UTLNGSBRTJSIBV-RHSMWYFYSA-N 0 0 344.386 2.300 40 0 EEABRN COc1ccc(CNC(=O)CC[C@H]2[C@@H](OC)CCCN2C(C)=O)cc1 ZINC000585280479 469008592 /nfs/dbraw/zinc/00/85/92/469008592.db2.gz JGQIXPJIYUKSRX-ROUUACIJSA-N 0 0 348.443 2.118 40 0 EEABRN CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2c[nH]c3ccccc23)[C@@H]1OC ZINC000585285357 469008660 /nfs/dbraw/zinc/00/86/60/469008660.db2.gz BKBYBHZYHQQIFB-JGJJFQDLSA-N 0 0 344.411 2.068 40 0 EEABRN Cc1ccc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)nc1 ZINC000585286536 469010280 /nfs/dbraw/zinc/01/02/80/469010280.db2.gz ZMWANMWMSOIOFE-ZTFGCOKTSA-N 0 0 326.396 2.338 40 0 EEABRN O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000096461440 534468787 /nfs/dbraw/zinc/46/87/87/534468787.db2.gz OEWJCNHMFONXLB-DOTOQJQBSA-N 0 0 347.463 2.012 40 0 EEABRN CCCc1nc(CN2CCc3ccc(S(N)(=O)=O)cc32)cs1 ZINC000096443367 521512851 /nfs/dbraw/zinc/51/28/51/521512851.db2.gz MLAXCCGCIDPQOJ-UHFFFAOYSA-N 0 0 337.470 2.306 40 0 EEABRN CCc1cccc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c1 ZINC000246582147 521783325 /nfs/dbraw/zinc/78/33/25/521783325.db2.gz CGNFPIAZKNSTDN-CABCVRRESA-N 0 0 327.471 2.144 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000248064621 524013686 /nfs/dbraw/zinc/01/36/86/524013686.db2.gz ZMOCDRCAPMFAMF-OBJOEFQTSA-N 0 0 340.395 2.058 40 0 EEABRN O=C(C[C@H]1OCCc2ccccc21)NC[C@H](O)Cc1ccccc1 ZINC000096406916 527182991 /nfs/dbraw/zinc/18/29/91/527182991.db2.gz NBQFADVKERYEHR-IEBWSBKVSA-N 0 0 325.408 2.410 40 0 EEABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCOC ZINC000222825180 535294586 /nfs/dbraw/zinc/29/45/86/535294586.db2.gz LFLAYMVSQCQKLI-LBPRGKRZSA-N 0 0 326.824 2.230 40 0 EEABRN CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000253417708 535373953 /nfs/dbraw/zinc/37/39/53/535373953.db2.gz FSOOPDQLOSRSCO-JKSUJKDBSA-N 0 0 339.480 2.090 40 0 EEABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3)cc1 ZINC000408650415 1369816470 /nfs/dbraw/zinc/81/64/70/1369816470.db2.gz BDHVPDPZXLRQHK-UNXZTIEGSA-N 0 0 344.363 2.007 40 0 EEABRN CCc1ccc(CNC(=O)C(=O)NCc2cccc(OC)c2)cc1 ZINC000408706793 529646711 /nfs/dbraw/zinc/64/67/11/529646711.db2.gz DHZGGBYVAXKWLK-UHFFFAOYSA-N 0 0 326.396 2.190 40 0 EEABRN Cc1nc2cc(C(=O)N3CCN(C4CCCCC4)C(=O)C3)ccc2[nH]1 ZINC000012147470 201828271 /nfs/dbraw/zinc/82/82/71/201828271.db2.gz XLLQTCDUXQCTAF-UHFFFAOYSA-N 0 0 340.427 2.488 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019373431 202006669 /nfs/dbraw/zinc/00/66/69/202006669.db2.gz KHPRMICZGOGDHZ-CYBMUJFWSA-N 0 0 337.383 2.138 40 0 EEABRN CC(C)c1nc2ccc(NC(=O)[C@H]3CCC(=O)NC(=O)N3)cc2s1 ZINC000019453833 202008561 /nfs/dbraw/zinc/00/85/61/202008561.db2.gz VOXPVBZVTKFBPR-LLVKDONJSA-N 0 0 346.412 2.346 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000019555477 202011468 /nfs/dbraw/zinc/01/14/68/202011468.db2.gz OYKIVPFISAVKPO-INIZCTEOSA-N 0 0 341.411 2.302 40 0 EEABRN CCn1cncc1CN1CCc2nc3scc(C)c3c(=O)n2CC1 ZINC000019578672 202012340 /nfs/dbraw/zinc/01/23/40/202012340.db2.gz OQMARKQFQBCBIC-UHFFFAOYSA-N 0 0 343.456 2.041 40 0 EEABRN CN(C)c1cc(C(=O)Nc2ccccc2CN2CCOCC2)ccn1 ZINC000019584220 202012549 /nfs/dbraw/zinc/01/25/49/202012549.db2.gz ZUXJUHAOQLIYPK-UHFFFAOYSA-N 0 0 340.427 2.232 40 0 EEABRN CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019573591 202012758 /nfs/dbraw/zinc/01/27/58/202012758.db2.gz YCKQSUKCGLBPPQ-HNNXBMFYSA-N 0 0 331.441 2.260 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)s1 ZINC000019747650 202017853 /nfs/dbraw/zinc/01/78/53/202017853.db2.gz DRAZIBRZRKPHFR-AWEZNQCLSA-N 0 0 345.424 2.240 40 0 EEABRN COc1ccc(CCNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 ZINC000019937194 202027557 /nfs/dbraw/zinc/02/75/57/202027557.db2.gz KGULRWVDPMKRHR-UHFFFAOYSA-N 0 0 349.390 2.418 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2C)cc1 ZINC000020487871 202045550 /nfs/dbraw/zinc/04/55/50/202045550.db2.gz DTBYXRVQQODJNF-UHFFFAOYSA-N 0 0 333.409 2.401 40 0 EEABRN O=CN1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020495156 202046016 /nfs/dbraw/zinc/04/60/16/202046016.db2.gz RBTRZUCWWBDIDG-UHFFFAOYSA-N 0 0 349.434 2.164 40 0 EEABRN CC(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020493506 202046204 /nfs/dbraw/zinc/04/62/04/202046204.db2.gz RHLTWVBTODQIGG-UHFFFAOYSA-N 0 0 338.473 2.388 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2cc(OC)ccc2OC)cc1 ZINC000024452261 202116253 /nfs/dbraw/zinc/11/62/53/202116253.db2.gz FZBNCFBRDVZESM-UHFFFAOYSA-N 0 0 337.397 2.191 40 0 EEABRN CCc1ccccc1N1C[C@@H](C(=O)N=c2sccn2C)CC1=O ZINC000030991064 202201410 /nfs/dbraw/zinc/20/14/10/202201410.db2.gz CLXZUHFZMCIGDH-BZSIDJSBSA-N 0 0 329.425 2.129 40 0 EEABRN COCc1cccc(CC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000189399092 236865853 /nfs/dbraw/zinc/86/58/53/236865853.db2.gz RYFYTWWNQJWARE-HNNXBMFYSA-N 0 0 332.425 2.432 40 0 EEABRN C[C@H](NC(=O)CCS(=O)(=O)N(C)C)c1cc2ccccc2s1 ZINC000189603535 237063675 /nfs/dbraw/zinc/06/36/75/237063675.db2.gz IREUNYURRNPFAT-NSHDSACASA-N 0 0 340.470 2.360 40 0 EEABRN O=C(NCc1cccs1)NCC1CCN(c2cnccn2)CC1 ZINC000070930710 202337944 /nfs/dbraw/zinc/33/79/44/202337944.db2.gz XSLIYRBFNLVKFH-UHFFFAOYSA-N 0 0 331.445 2.254 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCCc2c1cnn2C ZINC000072242492 202357657 /nfs/dbraw/zinc/35/76/57/202357657.db2.gz HEZGXJYPNRUGEL-ZDUSSCGKSA-N 0 0 335.429 2.093 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241453 202358358 /nfs/dbraw/zinc/35/83/58/202358358.db2.gz KOGVJJGPWDBBDB-JKSUJKDBSA-N 0 0 336.819 2.251 40 0 EEABRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000074653839 202374048 /nfs/dbraw/zinc/37/40/48/202374048.db2.gz FBEYBSUBIHLMQW-JKSUJKDBSA-N 0 0 332.448 2.471 40 0 EEABRN Cc1cccc(NC(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1C ZINC000075166232 202378154 /nfs/dbraw/zinc/37/81/54/202378154.db2.gz OBQWKHAATGCPQR-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN Cc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)on1 ZINC000077122705 202384306 /nfs/dbraw/zinc/38/43/06/202384306.db2.gz XCWSVJHVAJECAA-LBPRGKRZSA-N 0 0 347.802 2.348 40 0 EEABRN O=C1C[C@H](Nc2nccc(C(F)(F)F)n2)CN1CC(F)(F)F ZINC000077995765 202394939 /nfs/dbraw/zinc/39/49/39/202394939.db2.gz AYUYCEPNLIMSRF-LURJTMIESA-N 0 0 328.216 2.071 40 0 EEABRN CC(C)(C)CCNC(=O)Cn1cc(I)cn1 ZINC000077962992 202395391 /nfs/dbraw/zinc/39/53/91/202395391.db2.gz DQRCYNBHUDEBOH-UHFFFAOYSA-N 0 0 335.189 2.040 40 0 EEABRN O=C(NCCOC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccncc1 ZINC000076853905 202388373 /nfs/dbraw/zinc/38/83/73/202388373.db2.gz MRSYXOKPFLSOBH-DZGCQCFKSA-N 0 0 346.333 2.437 40 0 EEABRN Cc1noc([C@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2F)n1 ZINC000078394894 202390437 /nfs/dbraw/zinc/39/04/37/202390437.db2.gz IQJADXLVYVXUAF-QMMMGPOBSA-N 0 0 349.322 2.356 40 0 EEABRN COC(=O)c1coc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 ZINC000078979147 202412129 /nfs/dbraw/zinc/41/21/29/202412129.db2.gz XFHTXMKDCUGBRF-SFHVURJKSA-N 0 0 342.351 2.342 40 0 EEABRN CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000079029025 202418468 /nfs/dbraw/zinc/41/84/68/202418468.db2.gz OXWITVOWSVRVAO-JTQLQIEISA-N 0 0 333.215 2.455 40 0 EEABRN COC(=O)[C@]1(F)CCN(C(=O)NC[C@H](C)Cc2cccs2)C1 ZINC000080705893 202470514 /nfs/dbraw/zinc/47/05/14/202470514.db2.gz JSPBWJIGYGYJOV-ABAIWWIYSA-N 0 0 328.409 2.223 40 0 EEABRN C[C@H]1SCCN(Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199070 291261247 /nfs/dbraw/zinc/26/12/47/291261247.db2.gz IHDVKLHDXWFRFI-DOMZBBRYSA-N 0 0 344.488 2.198 40 0 EEABRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000184568952 201039184 /nfs/dbraw/zinc/03/91/84/201039184.db2.gz FDVJTDQUPCYHDZ-NUJGCVRESA-N 0 0 348.443 2.430 40 0 EEABRN COCCCN(C)C(=O)Cc1ccc(I)cc1 ZINC000190905104 238793938 /nfs/dbraw/zinc/79/39/38/238793938.db2.gz JVSUVHQGPXIYGQ-UHFFFAOYSA-N 0 0 347.196 2.329 40 0 EEABRN CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccccc1Br ZINC000253473463 201187897 /nfs/dbraw/zinc/18/78/97/201187897.db2.gz VEOQXMVYENRWDU-CYBMUJFWSA-N 0 0 337.221 2.495 40 0 EEABRN O=C(Nc1nnc(C(F)(F)F)s1)N[C@H](CO)Cc1ccccc1 ZINC000155042565 201396034 /nfs/dbraw/zinc/39/60/34/201396034.db2.gz WSHMGQJJPYFRKW-VIFPVBQESA-N 0 0 346.334 2.282 40 0 EEABRN COc1ccccc1CNC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000045689817 202555501 /nfs/dbraw/zinc/55/55/01/202555501.db2.gz WSKQRXSMSXNMLL-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN Cc1cnc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cn1 ZINC000075165193 216593189 /nfs/dbraw/zinc/59/31/89/216593189.db2.gz XXTJVZQVJIMHGF-UHFFFAOYSA-N 0 0 341.293 2.207 40 0 EEABRN Cc1cc2c(cc1NC(=O)[C@@H]1COCCN1C1CCCC1)OCO2 ZINC000193786697 240307774 /nfs/dbraw/zinc/30/77/74/240307774.db2.gz BWPCYHYJZQUSAG-HNNXBMFYSA-N 0 0 332.400 2.306 40 0 EEABRN COC[C@@]1(N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479749 241327214 /nfs/dbraw/zinc/32/72/14/241327214.db2.gz UFGPOZKDTVXAJO-OKZBNKHCSA-N 0 0 331.437 2.279 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225464755 241877808 /nfs/dbraw/zinc/87/78/08/241877808.db2.gz XMEUBGDTOZAKKM-OAHLLOKOSA-N 0 0 343.431 2.128 40 0 EEABRN C[C@H](C(=O)NC1CC1)N1CCN(CCSC2CCCCC2)CC1 ZINC000225719287 242003186 /nfs/dbraw/zinc/00/31/86/242003186.db2.gz OSWZIANLLUFOHA-OAHLLOKOSA-N 0 0 339.549 2.337 40 0 EEABRN COc1ccc(CNC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 ZINC000225748610 242017419 /nfs/dbraw/zinc/01/74/19/242017419.db2.gz IRNDTQKYUGJATQ-UHFFFAOYSA-N 0 0 340.354 2.466 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226747129 242110864 /nfs/dbraw/zinc/11/08/64/242110864.db2.gz DIVNMUDDLUZYBG-SFHVURJKSA-N 0 0 344.390 2.376 40 0 EEABRN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000000343015 284013579 /nfs/dbraw/zinc/01/35/79/284013579.db2.gz PZDBJZSNUZNOSB-UHFFFAOYSA-N 0 0 345.152 2.390 40 0 EEABRN CCCNC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035314129 201674000 /nfs/dbraw/zinc/67/40/00/201674000.db2.gz FYAIEPDPVPDLAN-UHFFFAOYSA-N 0 0 332.400 2.472 40 0 EEABRN Cn1c(C(=O)OCC(=O)NCCc2ccccc2)cc2occc21 ZINC000035315686 201673902 /nfs/dbraw/zinc/67/39/02/201673902.db2.gz RYGBPDBONAVCJU-UHFFFAOYSA-N 0 0 326.352 2.287 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)c(C)c1 ZINC000006189714 201675719 /nfs/dbraw/zinc/67/57/19/201675719.db2.gz BSKUDKDSTXVPDB-GOEBONIOSA-N 0 0 334.416 2.470 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000247867518 243470373 /nfs/dbraw/zinc/47/03/73/243470373.db2.gz PBKIBHFTAMNZSS-OAHLLOKOSA-N 0 0 330.409 2.383 40 0 EEABRN C[C@]12CN(C(=O)C3CCCC3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576415 291446148 /nfs/dbraw/zinc/44/61/48/291446148.db2.gz UIJNJQFQOYHREQ-BEFAXECRSA-N 0 0 326.396 2.020 40 0 EEABRN COc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)ccc1OC(C)C ZINC000252487822 243787346 /nfs/dbraw/zinc/78/73/46/243787346.db2.gz IBXIHYBAPJVDSN-UHFFFAOYSA-N 0 0 347.415 2.225 40 0 EEABRN COC(=O)[C@H]1CC12CCN(C(=O)[C@](C)(O)CCc1ccccc1)CC2 ZINC000253392301 243886357 /nfs/dbraw/zinc/88/63/57/243886357.db2.gz QVMDITCOHVZZLC-VQIMIIECSA-N 0 0 345.439 2.172 40 0 EEABRN CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ccncc2Cl)CC1 ZINC000253472823 243996949 /nfs/dbraw/zinc/99/69/49/243996949.db2.gz PRLUPFAJJYBBDD-UHFFFAOYSA-N 0 0 340.807 2.447 40 0 EEABRN COc1ccc(CCC(=O)N2CCN(Cc3cccn3C)CC2)cc1 ZINC000092534339 203085163 /nfs/dbraw/zinc/08/51/63/203085163.db2.gz TUTWXTMAACARKH-UHFFFAOYSA-N 0 0 341.455 2.311 40 0 EEABRN COc1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)C3)cn1 ZINC000257226167 244201360 /nfs/dbraw/zinc/20/13/60/244201360.db2.gz FJKRDVFMRNOVCI-CYJAXWMASA-N 0 0 343.427 2.094 40 0 EEABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378564 203209439 /nfs/dbraw/zinc/20/94/39/203209439.db2.gz YJAVYVDRVXPFOP-AWEZNQCLSA-N 0 0 336.399 2.319 40 0 EEABRN Cc1cccnc1C(=O)N1CCC[C@H](Cc2ccc(N(C)C)nn2)C1 ZINC000072369252 203209640 /nfs/dbraw/zinc/20/96/40/203209640.db2.gz AEJLAZXPTAYLDU-OAHLLOKOSA-N 0 0 339.443 2.341 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2ncccn2)n1 ZINC000072382507 203211057 /nfs/dbraw/zinc/21/10/57/203211057.db2.gz KEZRAJXEBQTOIQ-ZDUSSCGKSA-N 0 0 342.403 2.019 40 0 EEABRN Cc1cccc(Nc2cc([C@H]3CCCCN3CC(N)=O)nc(C)n2)n1 ZINC000072384652 203212189 /nfs/dbraw/zinc/21/21/89/203212189.db2.gz UTMHHAILZIRMNM-OAHLLOKOSA-N 0 0 340.431 2.244 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)n1 ZINC000257231950 244217715 /nfs/dbraw/zinc/21/77/15/244217715.db2.gz GIUYNDJZIPOIOX-INIZCTEOSA-N 0 0 339.351 2.038 40 0 EEABRN COCc1ccc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)s1 ZINC000072324182 203200859 /nfs/dbraw/zinc/20/08/59/203200859.db2.gz VBQIARGFAPSLRI-NSHDSACASA-N 0 0 330.413 2.458 40 0 EEABRN COc1cccc(O[C@H]2CCN(C(=O)c3cc(C)no3)CC[C@@H]2O)c1 ZINC000257237564 244233566 /nfs/dbraw/zinc/23/35/66/244233566.db2.gz HHBCOAMGTBYHNG-HOTGVXAUSA-N 0 0 346.383 2.036 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N3CCC[C@H](C)C3)c(=O)c1n2C ZINC000072335324 203202250 /nfs/dbraw/zinc/20/22/50/203202250.db2.gz WUHDYJFXEGOXOR-NSHDSACASA-N 0 0 342.399 2.048 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2nccc(C)n2)C1 ZINC000257240197 244241068 /nfs/dbraw/zinc/24/10/68/244241068.db2.gz HSMXWBIMSSYZSX-HNNXBMFYSA-N 0 0 331.347 2.146 40 0 EEABRN Cc1cc(C[C@H]2CC[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]23)ncn1 ZINC000257240663 244241382 /nfs/dbraw/zinc/24/13/82/244241382.db2.gz HUOCEPNOAQVZOT-JFIYKMOQSA-N 0 0 329.444 2.239 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000257242097 244246803 /nfs/dbraw/zinc/24/68/03/244246803.db2.gz IBCGKOBJQDEKAY-CQSZACIVSA-N 0 0 338.411 2.070 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)nc(C)n1 ZINC000257256152 244281612 /nfs/dbraw/zinc/28/16/12/244281612.db2.gz KKGZUKHZKWSAPQ-INIZCTEOSA-N 0 0 342.447 2.165 40 0 EEABRN CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cccs1 ZINC000257275104 244391074 /nfs/dbraw/zinc/39/10/74/244391074.db2.gz NNXHYWDZGALIIC-QGZVFWFLSA-N 0 0 349.431 2.386 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000074852626 203295415 /nfs/dbraw/zinc/29/54/15/203295415.db2.gz QNAVHIMZCFRMDE-HOCLYGCPSA-N 0 0 339.480 2.139 40 0 EEABRN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000257283571 244415339 /nfs/dbraw/zinc/41/53/39/244415339.db2.gz OYWMTVFRYWZVJC-KRWDZBQOSA-N 0 0 348.410 2.476 40 0 EEABRN Cc1nc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)sc1C ZINC000075164269 203308824 /nfs/dbraw/zinc/30/88/24/203308824.db2.gz JZLIYZNLJAEOOG-CQSZACIVSA-N 0 0 345.424 2.126 40 0 EEABRN CCN1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 ZINC000074934945 203297481 /nfs/dbraw/zinc/29/74/81/203297481.db2.gz BMJIJPNIRSNGES-UHFFFAOYSA-N 0 0 340.489 2.453 40 0 EEABRN Cc1noc2nc(C)cc(C(=O)N3CCO[C@@H](c4ccncc4)C3)c12 ZINC000257307238 244481854 /nfs/dbraw/zinc/48/18/54/244481854.db2.gz SXUQGWOMYXSYOP-OAHLLOKOSA-N 0 0 338.367 2.448 40 0 EEABRN COc1ccc(CC(=O)N2CCCC[C@]3(C)NC(=O)CC[C@H]23)cc1F ZINC000257299328 244458651 /nfs/dbraw/zinc/45/86/51/244458651.db2.gz RPOJGVFGEIYBCD-LPHOPBHVSA-N 0 0 348.418 2.427 40 0 EEABRN Cc1nnc(CNC(=O)/C=C/c2cc(Br)cs2)n1C ZINC000080073791 203454686 /nfs/dbraw/zinc/45/46/86/203454686.db2.gz AROVHDSDRSEUDQ-ONEGZZNKSA-N 0 0 341.234 2.277 40 0 EEABRN CS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 ZINC000083989657 203522115 /nfs/dbraw/zinc/52/21/15/203522115.db2.gz BMQVJVFFMKJUGG-UHFFFAOYSA-N 0 0 334.397 2.160 40 0 EEABRN CC(C)(C)c1cnc(CNC(=O)c2ccc(CNC(N)=O)cc2)o1 ZINC000262495684 245003654 /nfs/dbraw/zinc/00/36/54/245003654.db2.gz JYOPPFQGKYKNDQ-UHFFFAOYSA-N 0 0 330.388 2.070 40 0 EEABRN CN(CC1CC1)c1ccc2ccc(C(=O)N3CCC[C@H](O)C3)cn21 ZINC000096146161 203843718 /nfs/dbraw/zinc/84/37/18/203843718.db2.gz XFURKFXLMRPCEK-KRWDZBQOSA-N 0 0 327.428 2.382 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096041782 203803072 /nfs/dbraw/zinc/80/30/72/203803072.db2.gz OECHILCBNUORAD-ZMSDIMECSA-N 0 0 331.441 2.487 40 0 EEABRN O=C(c1ccco1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC000096055456 203812259 /nfs/dbraw/zinc/81/22/59/203812259.db2.gz XHCLLWAWPHTAAK-IJEWVQPXSA-N 0 0 328.368 2.373 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096058065 203815122 /nfs/dbraw/zinc/81/51/22/203815122.db2.gz WPEDRWAHUOERGT-ARFHVFGLSA-N 0 0 343.358 2.067 40 0 EEABRN CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096198065 203859842 /nfs/dbraw/zinc/85/98/42/203859842.db2.gz GEZFBAFEYGMMPZ-AWEZNQCLSA-N 0 0 343.383 2.018 40 0 EEABRN Cc1noc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000041121767 204006642 /nfs/dbraw/zinc/00/66/42/204006642.db2.gz SLUHVIBAKCZFCT-UHFFFAOYSA-N 0 0 325.365 2.085 40 0 EEABRN CCc1noc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000041122367 204007035 /nfs/dbraw/zinc/00/70/35/204007035.db2.gz ICUCVSMTKYAECT-JTQLQIEISA-N 0 0 327.431 2.262 40 0 EEABRN Cc1noc(C)c1CN1CCN(C(=O)COc2ccccc2)CC1 ZINC000044448672 204299693 /nfs/dbraw/zinc/29/96/93/204299693.db2.gz MYLDJEJNLZLNQH-UHFFFAOYSA-N 0 0 329.400 2.015 40 0 EEABRN COc1ccc(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 ZINC000044448784 204299751 /nfs/dbraw/zinc/29/97/51/204299751.db2.gz ABQKBMICPYHKJV-UHFFFAOYSA-N 0 0 343.427 2.187 40 0 EEABRN COc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1 ZINC000000076613 205399068 /nfs/dbraw/zinc/39/90/68/205399068.db2.gz RSMUKMHFGLUEOV-RVDMUPIBSA-N 0 0 335.388 2.374 40 0 EEABRN CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCOCC1 ZINC000001338177 205583377 /nfs/dbraw/zinc/58/33/77/205583377.db2.gz ZXHYKENARIKUMO-UHFFFAOYSA-N 0 0 336.413 2.047 40 0 EEABRN CCCn1c(C)nnc1CN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000153975428 205898096 /nfs/dbraw/zinc/89/80/96/205898096.db2.gz CIGRRKFXGNRZSP-AWEZNQCLSA-N 0 0 346.431 2.063 40 0 EEABRN CCc1ncc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cn1 ZINC000155490954 206012153 /nfs/dbraw/zinc/01/21/53/206012153.db2.gz ZIWPAMFBXDYKIV-LBPRGKRZSA-N 0 0 340.383 2.039 40 0 EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000008369932 206529672 /nfs/dbraw/zinc/52/96/72/206529672.db2.gz ZTXGOUCIEWIUBG-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN O=C(c1cccnn1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257211198 284718266 /nfs/dbraw/zinc/71/82/66/284718266.db2.gz BXWICCLWWDDYTI-INIZCTEOSA-N 0 0 348.406 2.356 40 0 EEABRN Ic1cccnc1NCCOC[C@@H]1CCCO1 ZINC000095400232 218334500 /nfs/dbraw/zinc/33/45/00/218334500.db2.gz JYFKGFCRWWDLFW-JTQLQIEISA-N 0 0 348.184 2.294 40 0 EEABRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000096406217 218757548 /nfs/dbraw/zinc/75/75/48/218757548.db2.gz LWMJRZKQJCEIPI-KBPBESRZSA-N 0 0 342.461 2.360 40 0 EEABRN O=C(CC[C@@H]1CCOC1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000176889696 207270764 /nfs/dbraw/zinc/27/07/64/207270764.db2.gz OSODLELDOLSQSV-CYBMUJFWSA-N 0 0 336.457 2.286 40 0 EEABRN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccnc(-n2cncn2)c1 ZINC000096425679 218794699 /nfs/dbraw/zinc/79/46/99/218794699.db2.gz HBDKOXBENJEEKS-LLVKDONJSA-N 0 0 341.346 2.301 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCCC2 ZINC000096432490 218808150 /nfs/dbraw/zinc/80/81/50/218808150.db2.gz IOQIOGRCJDTDFN-HUUCEWRRSA-N 0 0 341.415 2.130 40 0 EEABRN CC[C@H](NC(=O)CCn1cncn1)c1nc(C(F)(F)F)cs1 ZINC000096443884 218825185 /nfs/dbraw/zinc/82/51/85/218825185.db2.gz SBUULGZIXHCXOW-QMMMGPOBSA-N 0 0 333.339 2.411 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000096476852 218854048 /nfs/dbraw/zinc/85/40/48/218854048.db2.gz QELWSPCRDQYVPG-GFCCVEGCSA-N 0 0 330.350 2.439 40 0 EEABRN O=c1c2ccccc2nc2n1C1=Nc3ccccc3C(=O)N[C@@H]1CC2 ZINC000006117573 285211846 /nfs/dbraw/zinc/21/18/46/285211846.db2.gz QSYOIPMDADNFRO-OAHLLOKOSA-N 0 0 330.347 2.033 40 0 biogenic,in-vitro EEABRN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1ccccn1 ZINC000185592200 291925692 /nfs/dbraw/zinc/92/56/92/291925692.db2.gz IGBIEOZCABJLTL-HNNXBMFYSA-N 0 0 328.347 2.234 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1C ZINC000408600605 257894710 /nfs/dbraw/zinc/89/47/10/257894710.db2.gz BDPFSMSNDIPDSA-UHFFFAOYSA-N 0 0 326.462 2.459 40 0 EEABRN CO[C@@H]1CCCOC12CCN(C(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000257272530 285657817 /nfs/dbraw/zinc/65/78/17/285657817.db2.gz NCTBOOHLSADWME-OAHLLOKOSA-N 0 0 333.432 2.089 40 0 EEABRN COc1ncccc1C(=O)N1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257246340 286568372 /nfs/dbraw/zinc/56/83/72/286568372.db2.gz ITQRHHSIQJGBLI-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@]1(O)CCOC1 ZINC000270167253 268797755 /nfs/dbraw/zinc/79/77/55/268797755.db2.gz ZISQRHUBHGJKNG-INIZCTEOSA-N 0 0 336.775 2.185 40 0 EEABRN O=c1sc2ccccc2c(=O)n1Cc1nnc(C2CC2)n1C1CC1 ZINC000274760023 269050882 /nfs/dbraw/zinc/05/08/82/269050882.db2.gz QQNVSFCGWTWKTC-UHFFFAOYSA-N 0 0 340.408 2.275 40 0 EEABRN COc1c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2nc2ccccc21 ZINC000255190047 277365501 /nfs/dbraw/zinc/36/55/01/277365501.db2.gz UPHQGOJGJFPUCR-LLVKDONJSA-N 0 0 331.397 2.261 40 0 EEABRN CC(C)(C)n1nc(C(=O)N2CCOC[C@]23CCOC3)cc1C1CC1 ZINC000194391858 278583948 /nfs/dbraw/zinc/58/39/48/278583948.db2.gz UDYPSEYKNVWQCM-GOSISDBHSA-N 0 0 333.432 2.147 40 0 EEABRN O=C(c1cccs1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096188569 280217555 /nfs/dbraw/zinc/21/75/55/280217555.db2.gz ZSIWIRIHFXVVFY-CYBMUJFWSA-N 0 0 327.413 2.114 40 0 EEABRN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249223138 289334337 /nfs/dbraw/zinc/33/43/37/289334337.db2.gz FVALOBQGAPIFRV-HTQZYQBOSA-N 0 0 349.275 2.037 40 0 EEABRN Nc1nc(N)c2nc(SC34CC5CC(CC(C5)C3)C4)c(N)nc2n1 ZINC000001563396 295367894 /nfs/dbraw/zinc/36/78/94/295367894.db2.gz MOSJSCCVLGDBHI-UHFFFAOYSA-N 0 0 343.460 2.227 40 0 EEABRN C[C@H]1CCSCCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000225623819 300023253 /nfs/dbraw/zinc/02/32/53/300023253.db2.gz XFVIAEZOHZXBBR-WDEREUQCSA-N 0 0 325.400 2.160 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C)nc3onc(C)c32)n1 ZINC000257225459 301023946 /nfs/dbraw/zinc/02/39/46/301023946.db2.gz FGHAFLQYLLZGJF-ZDUSSCGKSA-N 0 0 341.371 2.085 40 0 EEABRN Cc1ccccc1N(CC(=O)N(C)c1ccccc1)S(C)(=O)=O ZINC000013646088 302103296 /nfs/dbraw/zinc/10/32/96/302103296.db2.gz ZKTNDUPATNUJHI-UHFFFAOYSA-N 0 0 332.425 2.424 40 0 EEABRN Cc1cc(C)n([C@@H](C)CC(=O)N2CCNC(=O)[C@H]2c2cccs2)n1 ZINC000331443581 311854063 /nfs/dbraw/zinc/85/40/63/311854063.db2.gz LBXAAFMJPJNWBX-XJKSGUPXSA-N 0 0 346.456 2.212 40 0 EEABRN Cn1cc(Cl)c(CNC(=O)N2CCC(OC3CCC3)CC2)n1 ZINC000333921346 312214419 /nfs/dbraw/zinc/21/44/19/312214419.db2.gz QOHPFJUBPUSZLQ-UHFFFAOYSA-N 0 0 326.828 2.317 40 0 EEABRN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000097376522 323322361 /nfs/dbraw/zinc/32/23/61/323322361.db2.gz QXHSCNAIGPUPJX-ZIAGYGMSSA-N 0 0 338.473 2.032 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CCCN1Cc1nc(N)c2ccccc2n1 ZINC000097370602 323322368 /nfs/dbraw/zinc/32/23/68/323322368.db2.gz DZCIYEWHZJSRRH-HNNXBMFYSA-N 0 0 327.432 2.045 40 0 EEABRN CS(=O)(=O)c1ccc(-c2noc(Cc3cccc(O)c3)n2)cc1 ZINC000131973526 323329173 /nfs/dbraw/zinc/32/91/73/323329173.db2.gz XQVKEOFBLKNEIT-UHFFFAOYSA-N 0 0 330.365 2.437 40 0 EEABRN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000060292843 462541209 /nfs/dbraw/zinc/54/12/09/462541209.db2.gz IPWYCUIUXDGDRW-KRWDZBQOSA-N 0 0 344.411 2.153 40 0 EEABRN CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1Cl ZINC000000241890 462549703 /nfs/dbraw/zinc/54/97/03/462549703.db2.gz SRFUBKKFQBIKNY-UHFFFAOYSA-N 0 0 330.837 2.119 40 0 EEABRN Cc1cnc2n(c1=O)C[C@H](C(=O)N[C@H](C)c1ccccc1)CS2 ZINC000085473664 462550462 /nfs/dbraw/zinc/55/04/62/462550462.db2.gz CJDUZCSLDUNZQJ-OCCSQVGLSA-N 0 0 329.425 2.151 40 0 EEABRN Cc1cc(I)ccc1S(=O)(=O)n1ccnc1 ZINC000000313569 462554855 /nfs/dbraw/zinc/55/48/55/462554855.db2.gz XVQJCGCVQMSVJH-UHFFFAOYSA-N 0 0 348.165 2.033 40 0 EEABRN Cc1cc(Cl)ccc1OCC(=O)OCCNC(=O)c1ccncc1 ZINC000002679812 462599290 /nfs/dbraw/zinc/59/92/90/462599290.db2.gz NRRLOYVUFSBERC-UHFFFAOYSA-N 0 0 348.786 2.395 40 0 EEABRN CCN1CCN(C(=O)c2snc(-c3ccc(C)cc3)c2N)CC1 ZINC000062007070 462606822 /nfs/dbraw/zinc/60/68/22/462606822.db2.gz QNELTLHPLOGNQT-UHFFFAOYSA-N 0 0 330.457 2.478 40 0 EEABRN CNC(=S)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(F)c1)C2 ZINC000004888295 462639943 /nfs/dbraw/zinc/63/99/43/462639943.db2.gz PZBGEKSLXFTGRG-GOOCMWNKSA-N 0 0 335.448 2.445 40 0 EEABRN O=C(CSc1nnc2c(n1)CCCC2)c1ccc2c(c1)CC(=O)N2 ZINC000005059978 462644774 /nfs/dbraw/zinc/64/47/74/462644774.db2.gz WSEUUUSPFZQTNR-UHFFFAOYSA-N 0 0 340.408 2.220 40 0 EEABRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 ZINC000046286944 462668337 /nfs/dbraw/zinc/66/83/37/462668337.db2.gz QJOWZXRLHQEQCP-UHFFFAOYSA-N 0 0 342.399 2.218 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000006175516 462678002 /nfs/dbraw/zinc/67/80/02/462678002.db2.gz ORMVERZYQCDPQZ-KBPBESRZSA-N 0 0 332.425 2.231 40 0 EEABRN CCCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006597203 462691904 /nfs/dbraw/zinc/69/19/04/462691904.db2.gz FFFPUOMOJLMUJC-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000006845778 462707866 /nfs/dbraw/zinc/70/78/66/462707866.db2.gz GWMGTMTWNQCFSU-OAHLLOKOSA-N 0 0 346.452 2.320 40 0 EEABRN COc1ccc(NC(=O)C[C@@H]([NH2+]CCC(C)C)C(=O)[O-])c(OC)c1 ZINC000006883277 462710096 /nfs/dbraw/zinc/71/00/96/462710096.db2.gz RHXXMIYTVVHAPF-CQSZACIVSA-N 0 0 338.404 2.121 40 0 EEABRN CCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008510665 462786521 /nfs/dbraw/zinc/78/65/21/462786521.db2.gz MOAKDZXWWRVVSA-UHFFFAOYSA-N 0 0 339.244 2.140 40 0 EEABRN O=C(Cc1ccccn1)N1CCC(c2noc(-c3cccnc3)n2)CC1 ZINC000012132187 462843277 /nfs/dbraw/zinc/84/32/77/462843277.db2.gz ABGCHLSZRBDRHH-UHFFFAOYSA-N 0 0 349.394 2.475 40 0 EEABRN Cc1nc2ccccc2n1CC(=O)N[C@@H](C)Cn1nnc2ccccc21 ZINC000012116223 462843559 /nfs/dbraw/zinc/84/35/59/462843559.db2.gz OWFJMPYUKYNGOX-ZDUSSCGKSA-N 0 0 348.410 2.294 40 0 EEABRN CCc1c(C)sc2ncn3c(nn(Cc4ccccn4)c3=O)c12 ZINC000012117634 462843614 /nfs/dbraw/zinc/84/36/14/462843614.db2.gz GELIKUVTUJORLW-UHFFFAOYSA-N 0 0 325.397 2.420 40 0 EEABRN C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccco1)C2 ZINC000012184700 462846492 /nfs/dbraw/zinc/84/64/92/462846492.db2.gz RUQOPIHXQFPVSR-ZDUSSCGKSA-N 0 0 328.416 2.300 40 0 EEABRN CC[C@@H]1CCCCN1C(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O ZINC000012182672 462847492 /nfs/dbraw/zinc/84/74/92/462847492.db2.gz QJAGQLIAVYPXAJ-CYBMUJFWSA-N 0 0 344.415 2.185 40 0 EEABRN CNc1ncc(CN2CCC(O)(c3ccccc3OC)CC2)cn1 ZINC000012292990 462848854 /nfs/dbraw/zinc/84/88/54/462848854.db2.gz NXHSPVLGPFDRNH-UHFFFAOYSA-N 0 0 328.416 2.011 40 0 EEABRN O=C1CCCN1c1ccc(S(=O)(=O)NC2[C@@H]3CCCC[C@H]23)cc1 ZINC000012241772 462849069 /nfs/dbraw/zinc/84/90/69/462849069.db2.gz JNMSSWGLJRSNOL-FKEKPDDDSA-N 0 0 334.441 2.280 40 0 EEABRN O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CCC(O)CC1 ZINC000012337319 462850352 /nfs/dbraw/zinc/85/03/52/462850352.db2.gz SSMIXBUKMQIIPP-UHFFFAOYSA-N 0 0 341.333 2.429 40 0 EEABRN Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 ZINC000013225956 462887524 /nfs/dbraw/zinc/88/75/24/462887524.db2.gz DTZSSOHFDJZSCZ-RYUDHWBXSA-N 0 0 348.428 2.387 40 0 EEABRN CCOc1cc2c(cc1CN(CCO)Cc1cccnc1)OCO2 ZINC000013569622 462895420 /nfs/dbraw/zinc/89/54/20/462895420.db2.gz IUPTWAUNIMJDPW-UHFFFAOYSA-N 0 0 330.384 2.204 40 0 EEABRN Cc1ccc([C@@H](C)N2CCN(C(=O)COC[C@H]3CCCO3)CC2)cc1 ZINC000013996216 462907281 /nfs/dbraw/zinc/90/72/81/462907281.db2.gz BNTMZUOFRLEBAI-IEBWSBKVSA-N 0 0 346.471 2.396 40 0 EEABRN c1csc(N2CN(C[C@@H]3CCCO3)CN(c3nccs3)C2)n1 ZINC000014165627 462915652 /nfs/dbraw/zinc/91/56/52/462915652.db2.gz VDEUGEKLUYDAQG-LBPRGKRZSA-N 0 0 337.474 2.280 40 0 EEABRN O=C(NC[C@@H]1CCCO1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000016383790 462976461 /nfs/dbraw/zinc/97/64/61/462976461.db2.gz REWXDOZUVMICDH-VIFPVBQESA-N 0 0 339.754 2.362 40 0 EEABRN CC(C)OC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000016755924 462990022 /nfs/dbraw/zinc/99/00/22/462990022.db2.gz IUIGUSXIZJLTQN-UHFFFAOYSA-N 0 0 326.809 2.356 40 0 EEABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)N2CCCC2)C1)N1CCCC1 ZINC000019075331 463012560 /nfs/dbraw/zinc/01/25/60/463012560.db2.gz CHEMOFBOSHKYEQ-HOTGVXAUSA-N 0 0 336.480 2.404 40 0 EEABRN C[C@@H](C(=O)N1CCC(c2cc3cccnc3[nH]2)CC1)N1CCCC1=O ZINC000019078009 463013847 /nfs/dbraw/zinc/01/38/47/463013847.db2.gz ZUFPZAFSUMGUPF-ZDUSSCGKSA-N 0 0 340.427 2.280 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@H]1c1nc(-c2cccnc2)no1 ZINC000019238419 463015927 /nfs/dbraw/zinc/01/59/27/463015927.db2.gz VDPAPJPQVHQJAU-AWEZNQCLSA-N 0 0 338.371 2.000 40 0 EEABRN CC1CCN(c2nc(CNC(=O)c3cccc(F)c3)cc(=O)[nH]2)CC1 ZINC000019497056 463017990 /nfs/dbraw/zinc/01/79/90/463017990.db2.gz ONGOQWIGTFJNNA-UHFFFAOYSA-N 0 0 344.390 2.075 40 0 EEABRN CCC(CC)C(=O)N1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccc1 ZINC000067897422 463064836 /nfs/dbraw/zinc/06/48/36/463064836.db2.gz KTUJNFRUHLRGOG-SJORKVTESA-N 0 0 330.428 2.061 40 0 biogenic,in-vitro EEABRN CCc1nncn1CCNC(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000095459993 463089922 /nfs/dbraw/zinc/08/99/22/463089922.db2.gz QZMZOFUBEREZHH-IBGZPJMESA-N 0 0 341.459 2.434 40 0 EEABRN CCOc1cc([C@@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000024671901 463093565 /nfs/dbraw/zinc/09/35/65/463093565.db2.gz PQMGQTRRHVSPIP-NCXUSEDFSA-N 0 0 348.395 2.009 40 0 EEABRN Fc1cccnc1OC[C@]12CCCO[C@H]1CCN(c1ncccn1)C2 ZINC000096040481 463145077 /nfs/dbraw/zinc/14/50/77/463145077.db2.gz YQCRHSAYSZDNNQ-MAUKXSAKSA-N 0 0 344.390 2.465 40 0 EEABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)o1 ZINC000096042129 463146334 /nfs/dbraw/zinc/14/63/34/463146334.db2.gz WAXTYXWHTPCYGG-YQQAZPJKSA-N 0 0 328.368 2.434 40 0 EEABRN Cc1cc(CN2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)no1 ZINC000096042623 463147179 /nfs/dbraw/zinc/14/71/79/463147179.db2.gz UQQSDDURMCYPQP-OAGGEKHMSA-N 0 0 333.363 2.328 40 0 EEABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)cn1 ZINC000078774740 463148582 /nfs/dbraw/zinc/14/85/82/463148582.db2.gz YXQOZVONTQIJGA-CYBMUJFWSA-N 0 0 328.372 2.256 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccc(F)c1 ZINC000096045354 463148893 /nfs/dbraw/zinc/14/88/93/463148893.db2.gz BMWAWAVZPXXOTE-MRXNPFEDSA-N 0 0 344.390 2.213 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096048634 463152153 /nfs/dbraw/zinc/15/21/53/463152153.db2.gz INWCUPAYKBRRFY-IBGZPJMESA-N 0 0 339.395 2.330 40 0 EEABRN CNC(=O)C[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21 ZINC000096053301 463156954 /nfs/dbraw/zinc/15/69/54/463156954.db2.gz RMTQNHCECCQYNT-CQSZACIVSA-N 0 0 345.443 2.205 40 0 EEABRN CN(Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1 ZINC000096068039 463164196 /nfs/dbraw/zinc/16/41/96/463164196.db2.gz WDLPGPXHKDGUAZ-UHFFFAOYSA-N 0 0 339.399 2.092 40 0 EEABRN Cn1cc(N[C@H]2COC3(C2)CCN(Cc2nccs2)CC3)cn1 ZINC000096074208 463166999 /nfs/dbraw/zinc/16/69/99/463166999.db2.gz PSKKPFWYEJEADJ-CYBMUJFWSA-N 0 0 333.461 2.112 40 0 EEABRN Cc1cc([C@@H](NC(=O)N2CCO[C@@H](CO)C2)C(C)C)c(C)s1 ZINC000078963964 463171749 /nfs/dbraw/zinc/17/17/49/463171749.db2.gz RIVXMOXQWKATFB-HIFRSBDPSA-N 0 0 326.462 2.465 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC(C)CC2)nc(N2CCOCC2)n1 ZINC000096100985 463173038 /nfs/dbraw/zinc/17/30/38/463173038.db2.gz CXUASJOPDSPMED-UHFFFAOYSA-N 0 0 332.448 2.309 40 0 EEABRN CCCS(=O)(=O)N1CCC2(CO[C@H](COCC3CC3)C2)CC1 ZINC000096106029 463173898 /nfs/dbraw/zinc/17/38/98/463173898.db2.gz NAHZEZLIHVETHI-HNNXBMFYSA-N 0 0 331.478 2.024 40 0 EEABRN O=C(NCc1ccccc1CO)C(=O)Nc1ccc(F)cc1Cl ZINC000078978994 463174023 /nfs/dbraw/zinc/17/40/23/463174023.db2.gz AFMIOBXMLMPQCS-UHFFFAOYSA-N 0 0 336.750 2.226 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc2c[nH]nc21 ZINC000079002168 463177017 /nfs/dbraw/zinc/17/70/17/463177017.db2.gz LPOUHLIDVPXRRP-CQSZACIVSA-N 0 0 338.342 2.237 40 0 EEABRN Cc1cc(CNC(=O)COc2ccccc2)nc(N2CCCCC2)n1 ZINC000096121097 463182327 /nfs/dbraw/zinc/18/23/27/463182327.db2.gz VSUASWXIIZLVFK-UHFFFAOYSA-N 0 0 340.427 2.471 40 0 EEABRN Cc1noc([C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C(C)C)n1 ZINC000079049964 463183348 /nfs/dbraw/zinc/18/33/48/463183348.db2.gz KCRQZKRZHWAFOR-BXUZGUMPSA-N 0 0 330.388 2.010 40 0 EEABRN O=C(/C=C/c1ccncc1)NCCCc1nnc2n1CCCCC2 ZINC000079050673 463183850 /nfs/dbraw/zinc/18/38/50/463183850.db2.gz GEHZZLSHLBVIEM-BQYQJAHWSA-N 0 0 325.416 2.162 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC000096158821 463190950 /nfs/dbraw/zinc/19/09/50/463190950.db2.gz HDATXPUHPYLPKZ-UHFFFAOYSA-N 0 0 341.411 2.182 40 0 EEABRN COc1c(C(=O)Nc2nccs2)nnn1Cc1ccc(C)cc1 ZINC000096183372 463195842 /nfs/dbraw/zinc/19/58/42/463195842.db2.gz ACCANSAHVZDQHM-UHFFFAOYSA-N 0 0 329.385 2.352 40 0 EEABRN O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO[C@@H]2CNc2ncccn2)C1 ZINC000096187352 463199338 /nfs/dbraw/zinc/19/93/38/463199338.db2.gz CBKGLYDGZMZYKH-BRWVUGGUSA-N 0 0 338.411 2.066 40 0 EEABRN CCOC[C@H]1Cn2ccnc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096187805 463199470 /nfs/dbraw/zinc/19/94/70/463199470.db2.gz RHQZVOOSHAHVKI-HNNXBMFYSA-N 0 0 349.456 2.049 40 0 EEABRN COc1ccc(-n2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2=O)cc1 ZINC000096192093 463201967 /nfs/dbraw/zinc/20/19/67/463201967.db2.gz MRILIRWUAJZLKV-KBPBESRZSA-N 0 0 342.395 2.096 40 0 EEABRN O=C([O-])[C@H]1C[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1ccccc1 ZINC000096198718 463204536 /nfs/dbraw/zinc/20/45/36/463204536.db2.gz LHBBUBQNLJBXSK-IAGOWNOFSA-N 0 0 330.428 2.159 40 0 EEABRN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2cccnc2)cn1 ZINC000096200699 463205471 /nfs/dbraw/zinc/20/54/71/463205471.db2.gz ASRRVYJUDFUDMI-ROUUACIJSA-N 0 0 340.427 2.068 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1Cc1cccc(C)c1 ZINC000096208228 463212292 /nfs/dbraw/zinc/21/22/92/463212292.db2.gz XIDSSGGKYATAPG-FUHWJXTLSA-N 0 0 327.428 2.448 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096219554 463215961 /nfs/dbraw/zinc/21/59/61/463215961.db2.gz WPLGSOOXIWEUEI-PXAZEXFGSA-N 0 0 348.399 2.450 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225541 463220703 /nfs/dbraw/zinc/22/07/03/463220703.db2.gz OCCFNTRLMVZONR-QGZVFWFLSA-N 0 0 349.456 2.284 40 0 EEABRN Cn1cc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cn1 ZINC000096226273 463220819 /nfs/dbraw/zinc/22/08/19/463220819.db2.gz WPFNRKKUUQCFNL-IBGZPJMESA-N 0 0 344.434 2.431 40 0 EEABRN Cc1ccc(N2CCC[C@]3(C2)COCCN(c2nccs2)C3)nn1 ZINC000096229222 463221721 /nfs/dbraw/zinc/22/17/21/463221721.db2.gz HOYZPKQGDKWSDU-QGZVFWFLSA-N 0 0 345.472 2.365 40 0 EEABRN c1cc(CN2CCO[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229454 463223272 /nfs/dbraw/zinc/22/32/72/463223272.db2.gz ZWLCAUUAXZOPDO-SFHVURJKSA-N 0 0 345.468 2.251 40 0 EEABRN CC(C)CC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC000096238016 463223676 /nfs/dbraw/zinc/22/36/76/463223676.db2.gz CZBABDVMKLOEEY-LJQANCHMSA-N 0 0 347.434 2.121 40 0 EEABRN Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)o1 ZINC000096240895 463225850 /nfs/dbraw/zinc/22/58/50/463225850.db2.gz ZXQQBZMWRJXYKZ-OAHLLOKOSA-N 0 0 346.427 2.079 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccoc1)c1ccco1 ZINC000096250298 463226524 /nfs/dbraw/zinc/22/65/24/463226524.db2.gz LVNNOTDGGPRCMR-ZMSDIMECSA-N 0 0 330.384 2.282 40 0 EEABRN CC(C)n1cnc2c1[C@@H](C(=O)NCc1ccccn1)N(C(C)C)CC2 ZINC000096264990 463230903 /nfs/dbraw/zinc/23/09/03/463230903.db2.gz BZHGJMWTBHZXJW-SFHVURJKSA-N 0 0 341.459 2.483 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)CSc2ccc(F)cc2)C1 ZINC000096379948 463237167 /nfs/dbraw/zinc/23/71/67/463237167.db2.gz VAUQHYFCOJPMCG-UHFFFAOYSA-N 0 0 345.461 2.199 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 ZINC000096403843 463238012 /nfs/dbraw/zinc/23/80/12/463238012.db2.gz NNOFRNJBYSYBIY-SFHVURJKSA-N 0 0 347.434 2.264 40 0 EEABRN COc1ccccc1C(C)=CC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000096403616 463238628 /nfs/dbraw/zinc/23/86/28/463238628.db2.gz KOOMVTKVJDLGNY-BUHFOSPRSA-N 0 0 343.427 2.115 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)o1 ZINC000096406345 463240756 /nfs/dbraw/zinc/24/07/56/463240756.db2.gz WHBZJIXZKITJKT-RVSPLBMKSA-N 0 0 344.415 2.108 40 0 EEABRN O=S(=O)(CCc1ccccc1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000096410008 463242150 /nfs/dbraw/zinc/24/21/50/463242150.db2.gz DNNVPYBZSIRCHZ-UHFFFAOYSA-N 0 0 328.397 2.456 40 0 EEABRN CC(C)COC[C@H](C)NC(=O)NCc1cccc(-n2cncn2)c1 ZINC000096410471 463243553 /nfs/dbraw/zinc/24/35/53/463243553.db2.gz NCMGNHCNHKBORY-AWEZNQCLSA-N 0 0 331.420 2.128 40 0 EEABRN C[C@H](C(=O)Nc1ccc2nc[nH]c(=O)c2c1)N1CCc2ccccc2C1 ZINC000096412364 463245198 /nfs/dbraw/zinc/24/51/98/463245198.db2.gz GGFPDXIKFYMQCG-CYBMUJFWSA-N 0 0 348.406 2.308 40 0 EEABRN C[C@H](c1nc(-c2cccnc2)no1)N1CCC2(CC1)OC[C@@H](C)O2 ZINC000096414915 463247220 /nfs/dbraw/zinc/24/72/20/463247220.db2.gz DMRGGRXNGNZIED-CHWSQXEVSA-N 0 0 330.388 2.420 40 0 EEABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H]1CCN(C)C1=O ZINC000096415513 463248089 /nfs/dbraw/zinc/24/80/89/463248089.db2.gz GPELQWWILPLEKD-MFKMUULPSA-N 0 0 343.349 2.166 40 0 EEABRN COc1ccc(Br)c(NC(=O)N[C@H]2CCC[C@H]2O)c1 ZINC000096415865 463248562 /nfs/dbraw/zinc/24/85/62/463248562.db2.gz HOHDFFKHYVFMME-CMPLNLGQSA-N 0 0 329.194 2.493 40 0 EEABRN CC1(C)[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000096421980 463252956 /nfs/dbraw/zinc/25/29/56/463252956.db2.gz JTBNNJNEAGAFGO-MXWKQRLJSA-N 0 0 332.326 2.380 40 0 EEABRN COc1ccc(CCC(=O)N2CCN(c3nc(C)ns3)CC2)cc1 ZINC000096426979 463256218 /nfs/dbraw/zinc/25/62/18/463256218.db2.gz XKNCMLZKIVLZGD-UHFFFAOYSA-N 0 0 346.456 2.137 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C12CCCC2 ZINC000096432481 463261223 /nfs/dbraw/zinc/26/12/23/463261223.db2.gz OQQATVHGLYNGSX-GJZGRUSLSA-N 0 0 341.415 2.130 40 0 EEABRN CCc1cc(CNC(=O)Nc2ccccc2-n2nnnc2CC)on1 ZINC000096446011 463271042 /nfs/dbraw/zinc/27/10/42/463271042.db2.gz RGTSJFFOEDPANO-UHFFFAOYSA-N 0 0 341.375 2.097 40 0 EEABRN O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccc(F)cc1F ZINC000096466072 463277993 /nfs/dbraw/zinc/27/79/93/463277993.db2.gz DWDJIAGQWODDCD-UHFFFAOYSA-N 0 0 339.305 2.304 40 0 EEABRN CCOC(=O)NCCNC(=O)c1cccc(Br)c1C ZINC000080080600 463279854 /nfs/dbraw/zinc/27/98/54/463279854.db2.gz CQAQRXLNNAWPQR-UHFFFAOYSA-N 0 0 329.194 2.233 40 0 EEABRN CCS(=O)(=O)CC(=O)NCC1(c2ccccc2Cl)CCC1 ZINC000096489266 463284877 /nfs/dbraw/zinc/28/48/77/463284877.db2.gz VSFHLJWIQYJUQN-UHFFFAOYSA-N 0 0 329.849 2.313 40 0 EEABRN Cc1nnc(CN(C)C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)n1C ZINC000096487050 463285132 /nfs/dbraw/zinc/28/51/32/463285132.db2.gz CDIJFFOMGPSGGZ-ZDUSSCGKSA-N 0 0 343.214 2.122 40 0 EEABRN CN(CC(C)(CO)CO)C(=O)Nc1c(F)cccc1Br ZINC000096491500 463286484 /nfs/dbraw/zinc/28/64/84/463286484.db2.gz ITKXTIVWKSIXBY-UHFFFAOYSA-N 0 0 349.200 2.043 40 0 EEABRN CC(C)(C)NC(=O)N1CCC(NC(=O)CCCn2cccc2)CC1 ZINC000096494447 463289255 /nfs/dbraw/zinc/28/92/55/463289255.db2.gz ZSZYYYJHSKAZAM-UHFFFAOYSA-N 0 0 334.464 2.357 40 0 EEABRN O=c1c2ccncc2ncn1C[C@@H](O)c1ccccc1Br ZINC000096500464 463290407 /nfs/dbraw/zinc/29/04/07/463290407.db2.gz UVGOGIINCUELAA-CQSZACIVSA-N 0 0 346.184 2.288 40 0 EEABRN Cc1nccn1CCCNc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000096500013 463290538 /nfs/dbraw/zinc/29/05/38/463290538.db2.gz WSDHHUNLOMBXTF-UHFFFAOYSA-N 0 0 336.461 2.252 40 0 EEABRN CC(C)N1CC[C@@H](NC(=O)NCCCO)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499878 463290657 /nfs/dbraw/zinc/29/06/57/463290657.db2.gz ALZWXRJKDRSPCM-CVEARBPZSA-N 0 0 341.402 2.170 40 0 EEABRN COCCn1ccc(NC(=O)Nc2cc(F)ccc2-n2cccn2)n1 ZINC000097103627 463325405 /nfs/dbraw/zinc/32/54/05/463325405.db2.gz STEZCEXIEIFEDK-UHFFFAOYSA-N 0 0 344.350 2.498 40 0 EEABRN CCO[C@H](C)c1nc(CN2CCN(C(=O)NC3CC3)CC2)cs1 ZINC000080618229 463338838 /nfs/dbraw/zinc/33/88/38/463338838.db2.gz GYCBALGWUVYLQK-GFCCVEGCSA-N 0 0 338.477 2.230 40 0 EEABRN C[C@](O)(CNC(=O)c1ccccc1N1CCOCC1)c1ccsc1 ZINC000080892195 463363955 /nfs/dbraw/zinc/36/39/55/463363955.db2.gz ZHDDKAMFTLVCIJ-SFHVURJKSA-N 0 0 346.452 2.222 40 0 EEABRN O=C(N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC000097953479 463366110 /nfs/dbraw/zinc/36/61/10/463366110.db2.gz JVQJORZMBBIRJV-JQHSSLGASA-N 0 0 341.411 2.084 40 0 EEABRN CN1C[C@@H](c2cc(=O)n3nc(-c4ccc(F)cc4)cc3[nH]2)CC1=O ZINC000100775928 463375391 /nfs/dbraw/zinc/37/53/91/463375391.db2.gz VBVVRCRSVQQTKO-NSHDSACASA-N 0 0 326.331 2.187 40 0 EEABRN COc1ccccc1OCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000144641303 463377109 /nfs/dbraw/zinc/37/71/09/463377109.db2.gz QGYHAAIOBDFILN-SFHVURJKSA-N 0 0 328.412 2.493 40 0 EEABRN Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1N[C@@H]1CCN(C)C1=O ZINC000081156267 463399640 /nfs/dbraw/zinc/39/96/40/463399640.db2.gz FVCCBKNBJIRHSO-LLVKDONJSA-N 0 0 347.312 2.069 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 ZINC000057320744 463478742 /nfs/dbraw/zinc/47/87/42/463478742.db2.gz CPTLAGYMGLPDRH-DZGCQCFKSA-N 0 0 336.407 2.137 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)N2CCSCC2)[C@H]1c1ccccc1F ZINC000057355235 463480437 /nfs/dbraw/zinc/48/04/37/463480437.db2.gz WOBCHFPMJINFNQ-XJKSGUPXSA-N 0 0 336.432 2.311 40 0 EEABRN Cc1sc(CCNC(=O)c2nccnc2N)nc1-c1ccccc1 ZINC000081713463 463483080 /nfs/dbraw/zinc/48/30/80/463483080.db2.gz SVWLWGFSJPTTNZ-UHFFFAOYSA-N 0 0 339.424 2.463 40 0 EEABRN COc1ccc([C@@H]2[C@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227040 463484102 /nfs/dbraw/zinc/48/41/02/463484102.db2.gz XIHXRPLNNYKDAJ-ZWKOTPCHSA-N 0 0 342.395 2.123 40 0 EEABRN CCOc1cc2ccccc2cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000044873569 463697880 /nfs/dbraw/zinc/69/78/80/463697880.db2.gz LWXVKDJPAVSPQY-OAHLLOKOSA-N 0 0 347.436 2.498 40 0 EEABRN CCO[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1 ZINC000193629349 463722735 /nfs/dbraw/zinc/72/27/35/463722735.db2.gz SODHCZQZZCFIBM-GJZGRUSLSA-N 0 0 329.404 2.190 40 0 EEABRN CCCC[C@H]1Oc2ccc(S(=O)(=O)NC(C)C)cc2NC1=O ZINC000257173090 463756676 /nfs/dbraw/zinc/75/66/76/463756676.db2.gz CHFZWVSXKAORNO-CQSZACIVSA-N 0 0 326.418 2.263 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000257234683 463758702 /nfs/dbraw/zinc/75/87/02/463758702.db2.gz GUQMVKVGSHKFRR-GFCCVEGCSA-N 0 0 331.445 2.378 40 0 EEABRN CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 ZINC000257298019 463767817 /nfs/dbraw/zinc/76/78/17/463767817.db2.gz RJTWNFYPNGTEFQ-MRXNPFEDSA-N 0 0 342.447 2.293 40 0 EEABRN CNc1cccc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316161 463774406 /nfs/dbraw/zinc/77/44/06/463774406.db2.gz VEKGZMRXYUYRGY-GOSISDBHSA-N 0 0 341.411 2.468 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257328219 463780261 /nfs/dbraw/zinc/78/02/61/463780261.db2.gz XESDJNSVKVETLV-MRXNPFEDSA-N 0 0 347.382 2.368 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC2(CC1)OCCC[C@H]2OC ZINC000257341502 463786592 /nfs/dbraw/zinc/78/65/92/463786592.db2.gz ZKPJABXAPNSONN-OAHLLOKOSA-N 0 0 335.448 2.022 40 0 EEABRN CC(=O)N1CCC[C@H](c2cnc(-n3c4ccccc4oc3=O)cn2)C1 ZINC000257342187 463787588 /nfs/dbraw/zinc/78/75/88/463787588.db2.gz ZNLVBNKCGHNCMI-ZDUSSCGKSA-N 0 0 338.367 2.100 40 0 EEABRN Cc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1C ZINC000260894936 463792249 /nfs/dbraw/zinc/79/22/49/463792249.db2.gz GSEJZXNWOUAORU-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1oc2ccc(NC(=O)CN3C(=O)NC(=O)C3(C)C)cc2c1C ZINC000185390436 463813713 /nfs/dbraw/zinc/81/37/13/463813713.db2.gz JYNCHCKGBDNQPZ-UHFFFAOYSA-N 0 0 329.356 2.319 40 0 EEABRN O=C([C@@H]1Cc2ccccc2O1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194614659 463896526 /nfs/dbraw/zinc/89/65/26/463896526.db2.gz LLSIFGOWGUHCJY-AEFFLSMTSA-N 0 0 336.391 2.080 40 0 EEABRN COC(=O)c1cccc(NC2CCN(C(=O)C(C)(C)OC)CC2)c1 ZINC000178771309 463970145 /nfs/dbraw/zinc/97/01/45/463970145.db2.gz WBLSGFIHNUVTAI-UHFFFAOYSA-N 0 0 334.416 2.301 40 0 EEABRN C[C@@H](NC(=O)N1CCC[C@@H](OCCO)C1)c1cccc(F)c1F ZINC000186501656 464012453 /nfs/dbraw/zinc/01/24/53/464012453.db2.gz AXSSGWYRBGJDLG-VXGBXAGGSA-N 0 0 328.359 2.209 40 0 EEABRN CCC1(CC)CN(S(=O)(=O)CCc2cccs2)CC[S@@]1=O ZINC000195409161 464051979 /nfs/dbraw/zinc/05/19/79/464051979.db2.gz BNHYKMWJQFHSSP-FQEVSTJZSA-N 0 0 349.543 2.244 40 0 EEABRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccnc1N1CCOCC1 ZINC000179098850 464056164 /nfs/dbraw/zinc/05/61/64/464056164.db2.gz BRRHWDPTDZWERM-NZSAHSFTSA-N 0 0 349.434 2.376 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCC(C)(C)C2)CCCC1 ZINC000195534839 464072988 /nfs/dbraw/zinc/07/29/88/464072988.db2.gz XGOIHWQBQQAFPB-UHFFFAOYSA-N 0 0 346.475 2.338 40 0 EEABRN CC[C@@H](NCc1sccc1Br)C(=O)N1CCOCC1 ZINC000195564557 464077217 /nfs/dbraw/zinc/07/72/17/464077217.db2.gz YSRLCHFEVNDCMG-LLVKDONJSA-N 0 0 347.278 2.238 40 0 EEABRN CC(C)Oc1cccc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)n1 ZINC000179194788 464078952 /nfs/dbraw/zinc/07/89/52/464078952.db2.gz CNVLCUXXROICTM-AWEZNQCLSA-N 0 0 329.404 2.013 40 0 EEABRN CN(C(=O)C(=O)Nc1ccnn1C)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000195574286 464079978 /nfs/dbraw/zinc/07/99/78/464079978.db2.gz HQPLJJDGXKXIIT-HOTGVXAUSA-N 0 0 340.427 2.228 40 0 EEABRN C[C@@H](C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21)S(C)(=O)=O ZINC000187352113 464120951 /nfs/dbraw/zinc/12/09/51/464120951.db2.gz QQFWLKYIPLDGKA-JTQLQIEISA-N 0 0 342.848 2.089 40 0 EEABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 ZINC000223075355 464135984 /nfs/dbraw/zinc/13/59/84/464135984.db2.gz CAEGIJREBJHQAS-HZPDHXFCSA-N 0 0 330.457 2.429 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCc1ccnc(N2CCCCC2)n1 ZINC000224208619 464149899 /nfs/dbraw/zinc/14/98/99/464149899.db2.gz RSFNCWPDWYGYCM-UHFFFAOYSA-N 0 0 328.391 2.465 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCC2CCCCC2)cc1 ZINC000224344690 464150985 /nfs/dbraw/zinc/15/09/85/464150985.db2.gz WQTFYMGIHNGFLD-UHFFFAOYSA-N 0 0 325.430 2.473 40 0 EEABRN COCCCNC(=O)c1ccc(C)cc1I ZINC000225008937 464153058 /nfs/dbraw/zinc/15/30/58/464153058.db2.gz CUJOASUIFFHCDQ-UHFFFAOYSA-N 0 0 333.169 2.366 40 0 EEABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCO)n2)cc1 ZINC000225199571 464154292 /nfs/dbraw/zinc/15/42/92/464154292.db2.gz NIMZWSYRPNSMTN-UHFFFAOYSA-N 0 0 347.444 2.206 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225235092 464154843 /nfs/dbraw/zinc/15/48/43/464154843.db2.gz PMBUAVQXCAPMPU-LSDHHAIUSA-N 0 0 338.473 2.248 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000225206699 464154917 /nfs/dbraw/zinc/15/49/17/464154917.db2.gz MHJNRDOFDXDVRZ-HNNXBMFYSA-N 0 0 340.423 2.401 40 0 EEABRN COc1ccc(-c2noc(C(=O)NC3CCOCC3)c2[C@H](C)O)cc1 ZINC000225428880 464159852 /nfs/dbraw/zinc/15/98/52/464159852.db2.gz ZWLMHYZFCBCMTH-NSHDSACASA-N 0 0 346.383 2.312 40 0 biogenic,in-vitro EEABRN C[C@H]1CCCN1S(=O)(=O)c1ccc(OCCn2cccn2)cc1 ZINC000225448774 464161501 /nfs/dbraw/zinc/16/15/01/464161501.db2.gz NXHQZTODFVXZEC-AWEZNQCLSA-N 0 0 335.429 2.135 40 0 EEABRN CC(=O)NC1CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)C1 ZINC000225478511 464163472 /nfs/dbraw/zinc/16/34/72/464163472.db2.gz ZJCWMFAFSQAXLK-AWEZNQCLSA-N 0 0 343.349 2.080 40 0 EEABRN Cc1noc(C(C)(C)NC(=O)Nc2cc([C@H]3CCCO3)nn2C)n1 ZINC000225484021 464165231 /nfs/dbraw/zinc/16/52/31/464165231.db2.gz JRIUJFNZVMASRD-LLVKDONJSA-N 0 0 334.380 2.020 40 0 EEABRN CN1CC[C@@H](Nc2cnc(C(N)=O)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225599510 464174964 /nfs/dbraw/zinc/17/49/64/464174964.db2.gz KUJUIBKCKQBQGK-DOMZBBRYSA-N 0 0 349.797 2.225 40 0 EEABRN CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225694895 464180894 /nfs/dbraw/zinc/18/08/94/464180894.db2.gz GRIQQTVJXLHVBC-GFCCVEGCSA-N 0 0 336.457 2.453 40 0 EEABRN Cn1cc([C@H](NS(=O)(=O)c2ccco2)c2ccc(F)cc2)cn1 ZINC000188852991 464382895 /nfs/dbraw/zinc/38/28/95/464382895.db2.gz WSCUYKCJPLSVFG-OAHLLOKOSA-N 0 0 335.360 2.220 40 0 EEABRN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000188984620 464410054 /nfs/dbraw/zinc/41/00/54/464410054.db2.gz XXZCDRIYCOIYNH-MRXNPFEDSA-N 0 0 345.349 2.281 40 0 EEABRN Cc1ccccc1/C=C/C(=O)NCCn1ccc(-c2cnccn2)n1 ZINC000245173955 464466445 /nfs/dbraw/zinc/46/64/45/464466445.db2.gz YDRXQEUNGQULDH-UHFFFAOYSA-N 0 0 333.395 2.478 40 0 EEABRN C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000245281217 464470185 /nfs/dbraw/zinc/47/01/85/464470185.db2.gz AJBHWWRHWLCQJB-HWWQOWPSSA-N 0 0 339.386 2.268 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000245339499 464471219 /nfs/dbraw/zinc/47/12/19/464471219.db2.gz TZWMGUBMHUPJIM-XUWVNRHRSA-N 0 0 339.432 2.401 40 0 EEABRN COC(=O)C1=NOC2(C1)CCN(C(=O)c1csc(Cl)c1)CC2 ZINC000189507566 464521477 /nfs/dbraw/zinc/52/14/77/464521477.db2.gz PRAHTKQCKZLPOV-UHFFFAOYSA-N 0 0 342.804 2.326 40 0 EEABRN CC[C@@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)c1c(C)noc1C ZINC000189685014 464538388 /nfs/dbraw/zinc/53/83/88/464538388.db2.gz RKZNRIXBQNVCSG-JOYOIKCWSA-N 0 0 333.396 2.124 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)nn1 ZINC000247934252 464714848 /nfs/dbraw/zinc/71/48/48/464714848.db2.gz RTKIROQCYMOILI-GFCCVEGCSA-N 0 0 332.404 2.462 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)on1 ZINC000191153245 464785965 /nfs/dbraw/zinc/78/59/65/464785965.db2.gz SOXWDHQGCMDTQX-AWEZNQCLSA-N 0 0 349.337 2.182 40 0 EEABRN Cc1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c2nccc(C)c2c1 ZINC000252486869 464963670 /nfs/dbraw/zinc/96/36/70/464963670.db2.gz HPRNTOWDODLWLE-ZDUSSCGKSA-N 0 0 334.441 2.357 40 0 EEABRN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c2ccccc21 ZINC000252494512 464968418 /nfs/dbraw/zinc/96/84/18/464968418.db2.gz NXQOJECRJPEVBC-WWGRRREGSA-N 0 0 336.457 2.454 40 0 EEABRN COC(=O)c1ccc(CNC(=O)c2cn(C(C)C)cn2)nc1C1CC1 ZINC000253396008 465000361 /nfs/dbraw/zinc/00/03/61/465000361.db2.gz WRANXGRTQNWWFD-UHFFFAOYSA-N 0 0 342.399 2.453 40 0 EEABRN C[C@@H](CNC(=O)[C@@H]1CCc2n[nH]nc2C1)c1nc2ccccc2s1 ZINC000253418644 465007014 /nfs/dbraw/zinc/00/70/14/465007014.db2.gz WGBABCZMDBGZHV-WDEREUQCSA-N 0 0 341.440 2.439 40 0 EEABRN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](O)Cc2ccccc2)C1 ZINC000253429915 465013317 /nfs/dbraw/zinc/01/33/17/465013317.db2.gz VYMITVIACBKWDX-IRXDYDNUSA-N 0 0 327.428 2.213 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000253473147 465015952 /nfs/dbraw/zinc/01/59/52/465015952.db2.gz RTFWEVDELQACLZ-OAHLLOKOSA-N 0 0 346.456 2.408 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000253478293 465016096 /nfs/dbraw/zinc/01/60/96/465016096.db2.gz KGADDKFKJSXXHX-MRXNPFEDSA-N 0 0 342.395 2.431 40 0 EEABRN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(N(C)C)c2)C1 ZINC000192937501 465018050 /nfs/dbraw/zinc/01/80/50/465018050.db2.gz QNVCTOTYLSJREN-CABCVRRESA-N 0 0 330.388 2.046 40 0 EEABRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1C[C@@H](O)C[C@@H]1CO ZINC000359543156 465444473 /nfs/dbraw/zinc/44/44/73/465444473.db2.gz BLJMZSVXIUZFEQ-LYIQGSDWSA-N 0 0 330.211 2.051 40 0 EEABRN CO[C@H](C)c1noc(CN(C)C(=O)c2ccnn2C2CCCC2)n1 ZINC000330156404 465552552 /nfs/dbraw/zinc/55/25/52/465552552.db2.gz OROQXFDGXPAAAI-LLVKDONJSA-N 0 0 333.392 2.361 40 0 EEABRN C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)C1CCC1)C2 ZINC000306124791 466486703 /nfs/dbraw/zinc/48/67/03/466486703.db2.gz BZRIITMFPHRSHS-MRXNPFEDSA-N 0 0 343.471 2.321 40 0 EEABRN O=C(CC1CC1)NC[C@@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000306132847 466491952 /nfs/dbraw/zinc/49/19/52/466491952.db2.gz LUEKMTXTYJSTCH-INIZCTEOSA-N 0 0 328.416 2.024 40 0 EEABRN COc1cccc([C@@]2(O)CC(C)=NN2C(=O)[C@@H](O)c2ccccc2)c1 ZINC000408562795 466680892 /nfs/dbraw/zinc/68/08/92/466680892.db2.gz CKYAUFLFIKPPPE-HKUYNNGSSA-N 0 0 340.379 2.182 40 0 EEABRN COc1cc(Cl)ccc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000390834486 467414884 /nfs/dbraw/zinc/41/48/84/467414884.db2.gz ZQFPSWNJQONYOG-UHFFFAOYSA-N 0 0 336.697 2.153 40 0 EEABRN CSc1ncccc1C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575604769 468145764 /nfs/dbraw/zinc/14/57/64/468145764.db2.gz FFBCWGXZYUSXRH-LBPRGKRZSA-N 0 0 348.403 2.416 40 0 EEABRN Cc1cnc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cn1 ZINC000575605361 468145793 /nfs/dbraw/zinc/14/57/93/468145793.db2.gz DLVXDHPZOTYHHB-UHFFFAOYSA-N 0 0 337.330 2.391 40 0 EEABRN Cc1cccc(O[C@H](C)C(=O)NCCn2cnc(C3CC3)cc2=O)c1 ZINC000575603802 468145933 /nfs/dbraw/zinc/14/59/33/468145933.db2.gz KWAOMMUNVIBSHN-CQSZACIVSA-N 0 0 341.411 2.013 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575607136 468146860 /nfs/dbraw/zinc/14/68/60/468146860.db2.gz XTNKEIYAPGBAGV-CYBMUJFWSA-N 0 0 349.822 2.164 40 0 EEABRN CC(C)[C@H](Cn1cncn1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000575609361 468147798 /nfs/dbraw/zinc/14/77/98/468147798.db2.gz WSLQZLDXIUTCRU-NSHDSACASA-N 0 0 327.310 2.147 40 0 EEABRN CC(C)n1cncc1CN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000567722364 468193844 /nfs/dbraw/zinc/19/38/44/468193844.db2.gz BLQLGMUBGOOXNL-GOSISDBHSA-N 0 0 326.444 2.397 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(CCc3ccc(OC)cc3)n2CC1 ZINC000601045380 468729958 /nfs/dbraw/zinc/72/99/58/468729958.db2.gz XDBOMPVAVMPTJJ-AWEZNQCLSA-N 0 0 329.400 2.197 40 0 EEABRN CN1CC[C@@]2(CN(C(=O)Cc3ccccc3F)CC(F)(F)C2)C1=O ZINC000585093462 468963090 /nfs/dbraw/zinc/96/30/90/468963090.db2.gz XZKMYGPYTKQYRP-MRXNPFEDSA-N 0 0 340.345 2.084 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@]2(CCN(C)C2=O)CC(F)(F)C1 ZINC000585093157 468963305 /nfs/dbraw/zinc/96/33/05/468963305.db2.gz FXNJBPKSBKEELP-KRWDZBQOSA-N 0 0 336.382 2.254 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COc1cccnc1)CN2C ZINC000585093837 468963311 /nfs/dbraw/zinc/96/33/11/468963311.db2.gz IMJMTYBYJCADQT-OAHLLOKOSA-N 0 0 341.411 2.208 40 0 EEABRN Cn1cnc2c1C[C@@H](CO)N(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000585094722 468963676 /nfs/dbraw/zinc/96/36/76/468963676.db2.gz JEXBXDILMUJYBF-LBPRGKRZSA-N 0 0 345.786 2.379 40 0 EEABRN COC[C@@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12 ZINC000585098339 468967821 /nfs/dbraw/zinc/96/78/21/468967821.db2.gz WNDPHDPIJUCSSR-HNNXBMFYSA-N 0 0 338.411 2.436 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(C)s1)C2 ZINC000585103984 468969935 /nfs/dbraw/zinc/96/99/35/468969935.db2.gz VBMPYNZAPJSTJZ-CYBMUJFWSA-N 0 0 329.487 2.082 40 0 EEABRN Cc1noc([C@H]2CCC3(CCN(C(=O)c4ccnc(F)c4)CC3)O2)n1 ZINC000585113500 468975922 /nfs/dbraw/zinc/97/59/22/468975922.db2.gz SEAHZZPQXCGYBB-CYBMUJFWSA-N 0 0 346.362 2.439 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2cccc(F)c2C)C[C@@]12CCCO2 ZINC000585266278 468995907 /nfs/dbraw/zinc/99/59/07/468995907.db2.gz FOLUCDXSPZCTIF-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN CC(C)n1ccnc1CN1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585269245 468997848 /nfs/dbraw/zinc/99/78/48/468997848.db2.gz MTMTWOMGXIEXIC-LJQANCHMSA-N 0 0 329.444 2.270 40 0 EEABRN COc1cccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000585272628 468999014 /nfs/dbraw/zinc/99/90/14/468999014.db2.gz OMZKFWIANXBBPM-FQEVSTJZSA-N 0 0 341.407 2.141 40 0 EEABRN O=C(CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1)Nc1ccccn1 ZINC000585276864 469001781 /nfs/dbraw/zinc/00/17/81/469001781.db2.gz PFDZIXPEULHLNX-IRXDYDNUSA-N 0 0 343.402 2.227 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(C(=O)C3CCCC3)C2)c1 ZINC000585276824 469002420 /nfs/dbraw/zinc/00/24/20/469002420.db2.gz QZMOWHIPYRGJRG-LJQANCHMSA-N 0 0 333.428 2.154 40 0 EEABRN CO[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1C ZINC000585278913 469004783 /nfs/dbraw/zinc/00/47/83/469004783.db2.gz ISUGIOLWTWMKII-SJLPKXTDSA-N 0 0 327.428 2.367 40 0 EEABRN CCn1cc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@@H](O)C2)cn1 ZINC000585278761 469005164 /nfs/dbraw/zinc/00/51/64/469005164.db2.gz FYBSPECTCIWRKH-PBHICJAKSA-N 0 0 331.391 2.108 40 0 EEABRN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000649978850 470759896 /nfs/dbraw/zinc/75/98/96/470759896.db2.gz IEMYFUMPKDYUDL-AWEZNQCLSA-N 0 0 334.330 2.234 40 0 EEABRN COC(=O)CN1CCO[C@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495332 485531199 /nfs/dbraw/zinc/53/11/99/485531199.db2.gz IDVHQGIIZFKGNC-NSHDSACASA-N 0 0 334.199 2.246 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000189061662 534120353 /nfs/dbraw/zinc/12/03/53/534120353.db2.gz JOHZSNFAYWBZHG-JLCFBVMHSA-N 0 0 340.514 2.472 40 0 EEABRN O=C(NCc1nnc2n1CCC2)Nc1cccc(OC(F)(F)F)c1 ZINC000044017949 534704325 /nfs/dbraw/zinc/70/43/25/534704325.db2.gz NRAXUTAGLVMWOC-UHFFFAOYSA-N 0 0 341.293 2.445 40 0 EEABRN CC(=O)NC[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CCO1 ZINC000179712507 526796059 /nfs/dbraw/zinc/79/60/59/526796059.db2.gz WMZUPOPUDXYRAG-LBPRGKRZSA-N 0 0 334.313 2.181 40 0 EEABRN CC(C)(CNC(=O)NC[C@@]1(O)CCOC1)Cc1cccc(Cl)c1 ZINC000179620079 527135082 /nfs/dbraw/zinc/13/50/82/527135082.db2.gz DIFNYRXQVRPPHN-KRWDZBQOSA-N 0 0 340.851 2.359 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)o1 ZINC000257248059 534951654 /nfs/dbraw/zinc/95/16/54/534951654.db2.gz JBVWRZZQIDAJHA-GFCCVEGCSA-N 0 0 345.403 2.027 40 0 EEABRN CC[C@H](NCC(=O)Nc1cc(Br)ccc1C)C(=O)OC ZINC000192843079 535895459 /nfs/dbraw/zinc/89/54/59/535895459.db2.gz UQQWWMQJXNFAGI-NSHDSACASA-N 0 0 343.221 2.237 40 0 EEABRN CCn1cc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)c(C)n1 ZINC000257262212 536027745 /nfs/dbraw/zinc/02/77/45/536027745.db2.gz LKPJITKYMVJMAS-SFHVURJKSA-N 0 0 340.427 2.257 40 0 EEABRN c1csc(N2CCC(c3nccc(N4CCOCC4)n3)CC2)n1 ZINC000894668545 683017943 /nfs/dbraw/zinc/01/79/43/683017943.db2.gz NAWKESJWKLFGKL-UHFFFAOYSA-N 0 0 331.445 2.154 40 0 EEABRN CC(C)(C)c1ccnc(NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)n1 ZINC000895486173 684622705 /nfs/dbraw/zinc/62/27/05/684622705.db2.gz ZQLYNYABZCPEGP-UHFFFAOYSA-N 0 0 331.420 2.404 40 0 EEABRN CCc1ccc(Br)cc1C(=O)Nc1nc(N(C)C)n[nH]1 ZINC000935919019 1208240763 /nfs/dbraw/zinc/24/07/63/1208240763.db2.gz DZTNBAIQILWDMG-UHFFFAOYSA-N 0 0 338.209 2.448 40 0 EEABRN COc1cc([C@H](C)NC(=O)Nc2cc(C)on2)ccc1OCCO ZINC000056343531 214371815 /nfs/dbraw/zinc/37/18/15/214371815.db2.gz WSZKCCAFGBXGSS-NSHDSACASA-N 0 0 335.360 2.245 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CCc2ccccc2)C1 ZINC000057318679 214418418 /nfs/dbraw/zinc/41/84/18/214418418.db2.gz RLUMAUNYOGKZRN-DOTOQJQBSA-N 0 0 332.444 2.009 40 0 EEABRN CCc1ccc([C@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)cc1 ZINC000188193230 529728747 /nfs/dbraw/zinc/72/87/47/529728747.db2.gz AVJJILDJPXTOSM-MRXNPFEDSA-N 0 0 344.415 2.266 40 0 EEABRN CNC(=O)COc1ccc(OC(F)(F)F)c(Br)c1 ZINC000190255080 529866223 /nfs/dbraw/zinc/86/62/23/529866223.db2.gz OOTKFVNZRQJLJC-UHFFFAOYSA-N 0 0 328.084 2.473 40 0 EEABRN CN(CC1(O)CCOCC1)C(=O)NCCc1cccc(Cl)c1 ZINC000187171948 529857912 /nfs/dbraw/zinc/85/79/12/529857912.db2.gz YCPQDYNWAUQUQR-UHFFFAOYSA-N 0 0 326.824 2.065 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-] ZINC000004280164 210160734 /nfs/dbraw/zinc/16/07/34/210160734.db2.gz XWCPHFHMHSVSSQ-TZMCWYRMSA-N 0 0 340.807 2.199 40 0 EEABRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCCS1(=O)=O ZINC000066230633 215025182 /nfs/dbraw/zinc/02/51/82/215025182.db2.gz KCLULIHLUTXSFF-SECBINFHSA-N 0 0 337.319 2.035 40 0 EEABRN CCOC(=O)/C(C(=N)SC)=C1\NN=C(c2ccc(OC)cc2)O1 ZINC000016681999 201978135 /nfs/dbraw/zinc/97/81/35/201978135.db2.gz RRTGGSGVFVXKGD-GGUQJELJSA-N 0 0 335.385 2.092 40 0 EEABRN Cc1ccc(CN(CCCN2CCOCC2)Cc2cnn(C)c2)o1 ZINC000019216464 202001491 /nfs/dbraw/zinc/00/14/91/202001491.db2.gz DRSFWNGERRPHRR-UHFFFAOYSA-N 0 0 332.448 2.046 40 0 EEABRN CCc1cc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)n(C)n1 ZINC000019522157 202009935 /nfs/dbraw/zinc/00/99/35/202009935.db2.gz LKBUNJJIORNOBL-MRXNPFEDSA-N 0 0 341.390 2.375 40 0 EEABRN COCCN1Cc2cccc(C(=O)N[C@H](C)c3ccccn3)c2C1=O ZINC000019656344 202015400 /nfs/dbraw/zinc/01/54/00/202015400.db2.gz GMYBHBWGSDFOQY-CYBMUJFWSA-N 0 0 339.395 2.175 40 0 EEABRN O=C(C[C@@H]1CCCO1)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746084 202018189 /nfs/dbraw/zinc/01/81/89/202018189.db2.gz OWBIOAHBYQTCFO-HNNXBMFYSA-N 0 0 346.362 2.169 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)CC1CCN(C(=O)C(C)C)CC1 ZINC000019748256 202018623 /nfs/dbraw/zinc/01/86/23/202018623.db2.gz MXRBVTMZMUIBRQ-ZDUSSCGKSA-N 0 0 334.464 2.190 40 0 EEABRN Cc1cccn2cc(C(=O)N3CC[C@H](C(=O)NC4CCCC4)C3)nc12 ZINC000019750377 202019584 /nfs/dbraw/zinc/01/95/84/202019584.db2.gz NCOGDVORFOEQMA-AWEZNQCLSA-N 0 0 340.427 2.164 40 0 EEABRN CCC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930704 202026243 /nfs/dbraw/zinc/02/62/43/202026243.db2.gz GOGBIYREYUBBJU-CYBMUJFWSA-N 0 0 338.473 2.365 40 0 EEABRN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(C)C2CCCC2)cc1 ZINC000040013193 202167085 /nfs/dbraw/zinc/16/70/85/202167085.db2.gz GXZGJUXLSUFAKM-VAWYXSNFSA-N 0 0 336.457 2.286 40 0 EEABRN C[C@@]1(c2cccc(NC(=O)CCc3ccccc3)c2)NC(=O)NC1=O ZINC000040110877 202170551 /nfs/dbraw/zinc/17/05/51/202170551.db2.gz ZLKPGQAMYQKAJU-IBGZPJMESA-N 0 0 337.379 2.313 40 0 EEABRN CN1C(SCc2ccccc2Cl)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508657 202226698 /nfs/dbraw/zinc/22/66/98/202226698.db2.gz CHQNNBHWCNYKOY-NWDGAFQWSA-N 0 0 330.862 2.040 40 0 EEABRN O=C(/C=C/c1ccccc1)NCC(=O)NCc1csc(C2CC2)n1 ZINC000069972795 202299919 /nfs/dbraw/zinc/29/99/19/202299919.db2.gz PCEZGANBIQLLQN-RMKNXTFCSA-N 0 0 341.436 2.466 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)c1cscn1)c1noc(C)n1 ZINC000070982646 202337346 /nfs/dbraw/zinc/33/73/46/202337346.db2.gz RKPSAVYQWQGUGN-CYBMUJFWSA-N 0 0 330.369 2.363 40 0 EEABRN CCn1cc(CCC(=O)N[C@@H]2CCCc3nc(C)ncc32)c(C)n1 ZINC000071195913 202342847 /nfs/dbraw/zinc/34/28/47/202342847.db2.gz JZTVBLMNKAWWFA-QGZVFWFLSA-N 0 0 327.432 2.436 40 0 EEABRN CN1CC[C@@H](C(=O)NCCCO[C@H]2CCCc3ccccc32)CC1=O ZINC000072673816 202367274 /nfs/dbraw/zinc/36/72/74/202367274.db2.gz YJKWQRAOMOUXRA-AEFFLSMTSA-N 0 0 344.455 2.455 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@H]1c1cccs1 ZINC000072238145 202356847 /nfs/dbraw/zinc/35/68/47/202356847.db2.gz POXUHOBISIALCF-CJNGLKHVSA-N 0 0 329.425 2.369 40 0 EEABRN COCc1cccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)c1 ZINC000072240282 202356944 /nfs/dbraw/zinc/35/69/44/202356944.db2.gz FFKWVTQFOLMYCE-UHFFFAOYSA-N 0 0 349.408 2.382 40 0 EEABRN Cc1nc(NC(=O)COC[C@@H]2CCCO2)ccc1Br ZINC000072512113 202364004 /nfs/dbraw/zinc/36/40/04/202364004.db2.gz FYQDTUQMYPUCBP-JTQLQIEISA-N 0 0 329.194 2.287 40 0 EEABRN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCc2cnccc21 ZINC000074954281 202374980 /nfs/dbraw/zinc/37/49/80/202374980.db2.gz NNJWBLCJZFPYQG-SFHVURJKSA-N 0 0 337.423 2.262 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000075391238 202381211 /nfs/dbraw/zinc/38/12/11/202381211.db2.gz LXZFWHQEMZIZLY-UHFFFAOYSA-N 0 0 346.456 2.462 40 0 EEABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(I)cn1 ZINC000077962527 202395328 /nfs/dbraw/zinc/39/53/28/202395328.db2.gz YVKRVJNHNAMTPB-AOOOYVTPSA-N 0 0 347.200 2.277 40 0 EEABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccnc2)c1 ZINC000078556809 202397890 /nfs/dbraw/zinc/39/78/90/202397890.db2.gz ICBHVCWNOKYHOA-UHFFFAOYSA-N 0 0 326.761 2.322 40 0 EEABRN Cn1cc(CCc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)cn1 ZINC000078774994 202401685 /nfs/dbraw/zinc/40/16/85/202401685.db2.gz BRDONABFTMNIHO-UHFFFAOYSA-N 0 0 347.419 2.492 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000076207793 202387146 /nfs/dbraw/zinc/38/71/46/202387146.db2.gz VJUUGUPHBFIRGJ-GFCCVEGCSA-N 0 0 328.416 2.049 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000076378003 202388070 /nfs/dbraw/zinc/38/80/70/202388070.db2.gz IQXZBFVKSAUXCJ-ZJUUUORDSA-N 0 0 335.347 2.190 40 0 EEABRN CSC[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000077786334 202392946 /nfs/dbraw/zinc/39/29/46/202392946.db2.gz DMUKJVYRVFIUEI-MRVPVSSYSA-N 0 0 331.235 2.255 40 0 EEABRN CCCn1nnnc1CN1C[C@@H](C)CN(C(C)=O)c2ccccc21 ZINC000081577350 202480328 /nfs/dbraw/zinc/48/03/28/202480328.db2.gz JDAHDTQXRNKTPC-CYBMUJFWSA-N 0 0 328.420 2.092 40 0 EEABRN Cc1nn(CCC(=O)NCc2cccnc2)c(C)c1Br ZINC000027969266 212589458 /nfs/dbraw/zinc/58/94/58/212589458.db2.gz JISDICOKHNUCMR-UHFFFAOYSA-N 0 0 337.221 2.364 40 0 EEABRN Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3)cc2c1 ZINC000000414277 201056106 /nfs/dbraw/zinc/05/61/06/201056106.db2.gz BSWZSGBCNYRTBP-UHFFFAOYSA-N 0 0 336.391 2.471 40 0 EEABRN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(OC)c1 ZINC000245224725 201152987 /nfs/dbraw/zinc/15/29/87/201152987.db2.gz CJWCFCJZCQSCLW-XYPHTWIQSA-N 0 0 346.427 2.440 40 0 EEABRN CO[C@@H](C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1)c1ccccc1 ZINC000156552655 201399424 /nfs/dbraw/zinc/39/94/24/201399424.db2.gz HPYFCUNLRFMRSR-SJLPKXTDSA-N 0 0 341.411 2.372 40 0 EEABRN CC(=O)N[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(F)c(F)c2)C1 ZINC000087134123 202648367 /nfs/dbraw/zinc/64/83/67/202648367.db2.gz GYGILJWGUPZUHZ-CYBMUJFWSA-N 0 0 338.354 2.055 40 0 EEABRN CC[C@@H](NCC(=O)Nc1cc(Br)ccc1C)C(=O)OC ZINC000192843094 239910989 /nfs/dbraw/zinc/91/09/89/239910989.db2.gz UQQWWMQJXNFAGI-LLVKDONJSA-N 0 0 343.221 2.237 40 0 EEABRN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC(CO)C1 ZINC000252494753 296078123 /nfs/dbraw/zinc/07/81/23/296078123.db2.gz ODOUKRZZFBKRLB-HOCLYGCPSA-N 0 0 336.229 2.104 40 0 EEABRN CCc1ccccc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O ZINC000216259024 241177520 /nfs/dbraw/zinc/17/75/20/241177520.db2.gz RFYVBNUPIBATMN-UHFFFAOYSA-N 0 0 338.473 2.416 40 0 EEABRN COC(=O)c1ccn2cc(I)cc2c1OC ZINC000217657153 241268654 /nfs/dbraw/zinc/26/86/54/241268654.db2.gz AMITUJLXSSJFRY-UHFFFAOYSA-N 0 0 331.109 2.339 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1 ZINC000218171720 241303315 /nfs/dbraw/zinc/30/33/15/241303315.db2.gz MSIWLWCTKVVSOR-JLSDUUJJSA-N 0 0 346.404 2.272 40 0 EEABRN COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1ccnn1 ZINC000225716425 242000695 /nfs/dbraw/zinc/00/06/95/242000695.db2.gz IATSGORSHPLFLN-UHFFFAOYSA-N 0 0 342.380 2.432 40 0 EEABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1cccnc1 ZINC000225733110 242009404 /nfs/dbraw/zinc/00/94/04/242009404.db2.gz UHLVPLXEVWKKGP-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN CCc1oc(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1C(=O)OC ZINC000225785040 242033545 /nfs/dbraw/zinc/03/35/45/242033545.db2.gz OYGFEJZRJWAIOL-UHFFFAOYSA-N 0 0 328.328 2.461 40 0 EEABRN NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000226687916 242109365 /nfs/dbraw/zinc/10/93/65/242109365.db2.gz DLDZWJXEZUQDSQ-UHFFFAOYSA-N 0 0 340.788 2.005 40 0 EEABRN C[C@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N(C)C ZINC000226754651 242113078 /nfs/dbraw/zinc/11/30/78/242113078.db2.gz SURBWOPUSRTZSZ-QMMMGPOBSA-N 0 0 326.194 2.191 40 0 EEABRN CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000226077435 242087188 /nfs/dbraw/zinc/08/71/88/242087188.db2.gz MQJMNYBVPBCCGJ-UHFFFAOYSA-N 0 0 338.473 2.250 40 0 EEABRN Cn1nccc1N1CCC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC000240444193 242970954 /nfs/dbraw/zinc/97/09/54/242970954.db2.gz FWMAFSPALWPPIF-NSHDSACASA-N 0 0 338.864 2.463 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000241965786 243007486 /nfs/dbraw/zinc/00/74/86/243007486.db2.gz UVPNHLCQGHWERF-UHFFFAOYSA-N 0 0 330.436 2.351 40 0 EEABRN COC(=O)[C@@H]1CCN(Cc2ccc3ccccc3n2)[C@@H](C(=O)OC)C1 ZINC000248595271 284062920 /nfs/dbraw/zinc/06/29/20/284062920.db2.gz SSRKADCHAXYAGD-RHSMWYFYSA-N 0 0 342.395 2.161 40 0 EEABRN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC2(CC1)OCCS2 ZINC000070637293 203077977 /nfs/dbraw/zinc/07/79/77/203077977.db2.gz RHMDUVBLDNGRQP-CQSZACIVSA-N 0 0 346.452 2.122 40 0 EEABRN Cc1cnc(N2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)nc1 ZINC000253600542 244035308 /nfs/dbraw/zinc/03/53/08/244035308.db2.gz RLGOQWHFLBRYIB-BHYGNILZSA-N 0 0 325.416 2.276 40 0 EEABRN CSc1nc(=O)n(C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)n1C ZINC000255187794 244046500 /nfs/dbraw/zinc/04/65/00/244046500.db2.gz GUMZXLMWBWROFI-DTWKUNHWSA-N 0 0 337.367 2.033 40 0 EEABRN CCCn1nccc1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257204818 244131212 /nfs/dbraw/zinc/13/12/12/244131212.db2.gz AWJWATCATLFLAU-MRXNPFEDSA-N 0 0 334.445 2.452 40 0 EEABRN CN(CC(=O)N1CCC[C@@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208491 244144367 /nfs/dbraw/zinc/14/43/67/244144367.db2.gz BMJVYCGWRLZPKB-SFHVURJKSA-N 0 0 338.455 2.390 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000257215392 244162975 /nfs/dbraw/zinc/16/29/75/244162975.db2.gz CPYAPUPHWANHFY-CYBMUJFWSA-N 0 0 326.400 2.327 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)CCN2CCc3ccccc32)n1 ZINC000257221312 244185504 /nfs/dbraw/zinc/18/55/04/244185504.db2.gz DOLHJYVOEBSVFT-KRWDZBQOSA-N 0 0 340.427 2.071 40 0 EEABRN COCCC(=O)N1CCC(c2cc3cc(OC)ccc3c(=O)[nH]2)CC1 ZINC000072383110 203210056 /nfs/dbraw/zinc/21/00/56/203210056.db2.gz ACZBUNIBFYZIRY-UHFFFAOYSA-N 0 0 344.411 2.279 40 0 EEABRN Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000257245432 244256271 /nfs/dbraw/zinc/25/62/71/244256271.db2.gz IPLUTOXMSXIRMQ-QZTJIDSGSA-N 0 0 327.380 2.317 40 0 EEABRN CC(C)n1nccc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000257246008 244257058 /nfs/dbraw/zinc/25/70/58/244257058.db2.gz ISBCXRLGUQPZEQ-CYBMUJFWSA-N 0 0 349.460 2.060 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1ccncc1 ZINC000257234203 244223963 /nfs/dbraw/zinc/22/39/63/244223963.db2.gz GSODZFIDXMJPBH-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN Cc1cc(C)nc([C@]2(C)CCCN2S(=O)(=O)c2cccnc2)n1 ZINC000257245990 244257362 /nfs/dbraw/zinc/25/73/62/244257362.db2.gz IRZIHVNWAVXNGI-INIZCTEOSA-N 0 0 332.429 2.188 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC[C@H]1c1cncc(NC)n1 ZINC000257234967 244225472 /nfs/dbraw/zinc/22/54/72/244225472.db2.gz GVUYIJSSKZDZHE-AWEZNQCLSA-N 0 0 328.420 2.031 40 0 EEABRN C[C@@H]1CCCCN1C(=O)Cn1ncn2c(cc3ccsc32)c1=O ZINC000072335243 203202534 /nfs/dbraw/zinc/20/25/34/203202534.db2.gz RQCUOAJFODVQQS-LLVKDONJSA-N 0 0 330.413 2.112 40 0 EEABRN COc1cccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1 ZINC000072336785 203202618 /nfs/dbraw/zinc/20/26/18/203202618.db2.gz LAJKFWTUUVVVQB-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN CC(C)C(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000072363550 203205931 /nfs/dbraw/zinc/20/59/31/203205931.db2.gz DYVMELNULSXMRG-UHFFFAOYSA-N 0 0 340.431 2.447 40 0 EEABRN Cc1ccc(Nc2nc([C@H]3CCCN(CC(N)=O)C3)cs2)nc1 ZINC000072367862 203207555 /nfs/dbraw/zinc/20/75/55/203207555.db2.gz BXCMFYPWLMLODG-LBPRGKRZSA-N 0 0 331.445 2.255 40 0 EEABRN COc1ccccc1Nc1nccc(-c2nnc3ncnn3c2C)n1 ZINC000072452390 203227176 /nfs/dbraw/zinc/22/71/76/203227176.db2.gz ZLKBDANBOYBSKY-UHFFFAOYSA-N 0 0 334.343 2.037 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 ZINC000257248347 244264368 /nfs/dbraw/zinc/26/43/68/244264368.db2.gz JDFWXQFEXGDMIW-HNNXBMFYSA-N 0 0 338.415 2.365 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)s1 ZINC000257251973 244271255 /nfs/dbraw/zinc/27/12/55/244271255.db2.gz JTCFIQYKISWNOH-AWEZNQCLSA-N 0 0 332.429 2.024 40 0 EEABRN CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccncc3)C[C@@H]12 ZINC000072395805 203212872 /nfs/dbraw/zinc/21/28/72/203212872.db2.gz TVVGMHVQNGOPSO-XLIONFOSSA-N 0 0 335.407 2.241 40 0 EEABRN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)CC(C)(C)C)C2 ZINC000072390841 203213784 /nfs/dbraw/zinc/21/37/84/203213784.db2.gz IVOQSYKAZQMUBZ-INIZCTEOSA-N 0 0 344.459 2.481 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cncc(N(C)C)n1 ZINC000257266027 244361892 /nfs/dbraw/zinc/36/18/92/244361892.db2.gz MBHOIZKKIFQCNS-INIZCTEOSA-N 0 0 343.431 2.444 40 0 EEABRN O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(F)cc2)o1 ZINC000257267279 244364733 /nfs/dbraw/zinc/36/47/33/244364733.db2.gz MGPMEERIFTUXNK-CKEIUWERSA-N 0 0 333.359 2.480 40 0 EEABRN O=C(Cc1cccc(F)c1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257270973 244375797 /nfs/dbraw/zinc/37/57/97/244375797.db2.gz MWJKURYUEPAEPL-CQSZACIVSA-N 0 0 329.375 2.369 40 0 EEABRN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000257277198 244394554 /nfs/dbraw/zinc/39/45/54/244394554.db2.gz NWVWIMUIPNMLGT-BFYDXBDKSA-N 0 0 330.384 2.416 40 0 EEABRN COc1cc(CNC(=O)COCC2CC2)ccc1OC[C@@H]1CCCO1 ZINC000040534172 203357901 /nfs/dbraw/zinc/35/79/01/203357901.db2.gz MXOIPZWURUIYJG-INIZCTEOSA-N 0 0 349.427 2.296 40 0 EEABRN COc1ccccc1CN(CCO)c1ncc(Br)cn1 ZINC000078294575 203416037 /nfs/dbraw/zinc/41/60/37/203416037.db2.gz VTNKJTBGAVGTLR-UHFFFAOYSA-N 0 0 338.205 2.247 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CCN(c3cccnc3)C2=O)CC1 ZINC000096157899 203845422 /nfs/dbraw/zinc/84/54/22/203845422.db2.gz UEKVZHSULLSQIH-UHFFFAOYSA-N 0 0 336.395 2.136 40 0 EEABRN CC(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045171 203804371 /nfs/dbraw/zinc/80/43/71/203804371.db2.gz GDWKOCYVSUMPRE-QGZVFWFLSA-N 0 0 347.459 2.182 40 0 EEABRN c1cc(CN2CCOC[C@@H]2c2nccc(NC3CCC3)n2)ccn1 ZINC000096218775 203872623 /nfs/dbraw/zinc/87/26/23/203872623.db2.gz DIMHIDUKIUYFPU-MRXNPFEDSA-N 0 0 325.416 2.410 40 0 EEABRN Cc1cccc(CN2CCO[C@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226462 203876033 /nfs/dbraw/zinc/87/60/33/203876033.db2.gz NFKGFGPLYSZVQO-LJQANCHMSA-N 0 0 339.443 2.051 40 0 EEABRN Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000042646122 204116407 /nfs/dbraw/zinc/11/64/07/204116407.db2.gz RVAOSNFKGWEVGW-UHFFFAOYSA-N 0 0 330.315 2.118 40 0 EEABRN O=C(Cc1cccs1)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000043087112 204212120 /nfs/dbraw/zinc/21/21/20/204212120.db2.gz ASFSVKIYVODOBU-UHFFFAOYSA-N 0 0 346.427 2.343 40 0 EEABRN CCN1CC2(CC1=O)CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000108536148 204267002 /nfs/dbraw/zinc/26/70/02/204267002.db2.gz KOSPOWLHTDJKFI-UHFFFAOYSA-N 0 0 336.457 2.018 40 0 EEABRN C[C@H]1[C@H]2[C@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C ZINC000004025148 205670801 /nfs/dbraw/zinc/67/08/01/205670801.db2.gz UNJZVKFTIFAQTA-KQKBXISNSA-N 0 0 342.443 2.394 40 0 EEABRN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)n1 ZINC000265601808 247632513 /nfs/dbraw/zinc/63/25/13/247632513.db2.gz LTZDSYLDCLAUMR-ZDUSSCGKSA-N 0 0 333.823 2.496 40 0 EEABRN C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000095406004 218342617 /nfs/dbraw/zinc/34/26/17/218342617.db2.gz QIEYWMUYTFVJQE-ZDUSSCGKSA-N 0 0 341.448 2.288 40 0 EEABRN CC[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)[C@@H]1CCCO1 ZINC000095440348 218384757 /nfs/dbraw/zinc/38/47/57/218384757.db2.gz YCQGADLDBCLQDZ-QWRGUYRKSA-N 0 0 334.342 2.196 40 0 EEABRN CN(C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1c(F)cccc1F ZINC000095449039 218393001 /nfs/dbraw/zinc/39/30/01/218393001.db2.gz PMOGIQSWDJIWGA-QGZVFWFLSA-N 0 0 347.365 2.234 40 0 EEABRN COc1cc(OC)cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1 ZINC000096098981 218592343 /nfs/dbraw/zinc/59/23/43/218592343.db2.gz IUTRXXLDRLKNJI-UHFFFAOYSA-N 0 0 343.305 2.349 40 0 EEABRN CCCCNC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OC ZINC000096182187 218644694 /nfs/dbraw/zinc/64/46/94/218644694.db2.gz TXDAGGWTGBHOLC-UHFFFAOYSA-N 0 0 347.415 2.405 40 0 EEABRN CCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000053640095 207460317 /nfs/dbraw/zinc/46/03/17/207460317.db2.gz LKJKZCKFZDZVSW-UHFFFAOYSA-N 0 0 329.322 2.193 40 0 EEABRN CC[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1cc(F)ccc1F ZINC000096419891 218783993 /nfs/dbraw/zinc/78/39/93/218783993.db2.gz VAULTLLKDUHQSA-UONOGXRCSA-N 0 0 325.359 2.384 40 0 EEABRN CC(C)n1cc(S(=O)(=O)NCc2cccc3cccnc32)cn1 ZINC000096427834 218799798 /nfs/dbraw/zinc/79/97/98/218799798.db2.gz WIABOBRXWWMVFL-UHFFFAOYSA-N 0 0 330.413 2.491 40 0 EEABRN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c(=O)[nH]1 ZINC000096432780 218808893 /nfs/dbraw/zinc/80/88/93/218808893.db2.gz FYJFGPASKIDLJY-JTQLQIEISA-N 0 0 342.330 2.363 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000096434022 218810753 /nfs/dbraw/zinc/81/07/53/218810753.db2.gz SCRRUDGOPJDSSW-NSHDSACASA-N 0 0 330.436 2.251 40 0 EEABRN CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000096437534 218818360 /nfs/dbraw/zinc/81/83/60/218818360.db2.gz KZGZYUROMDDDKA-CVEARBPZSA-N 0 0 345.472 2.410 40 0 EEABRN CC(C)(CNC(=O)Nc1ccccc1Cl)N1CCS(=O)CC1 ZINC000096455638 218840289 /nfs/dbraw/zinc/84/02/89/218840289.db2.gz ISKNGFYDEZGDAV-UHFFFAOYSA-N 0 0 343.880 2.304 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000097374368 219017121 /nfs/dbraw/zinc/01/71/21/219017121.db2.gz LLNZZTJKHZQAJJ-SFHVURJKSA-N 0 0 341.455 2.440 40 0 EEABRN COC[C@@H]1CN(C(=O)c2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096198137 285296138 /nfs/dbraw/zinc/29/61/38/285296138.db2.gz XAXUBLIZBUQVFL-HNNXBMFYSA-N 0 0 326.400 2.074 40 0 EEABRN CCOC[C@H]1C[C@]2(CO1)COCCN2C(=O)c1ccc(CC)cc1 ZINC000096078564 286181170 /nfs/dbraw/zinc/18/11/70/286181170.db2.gz ONTUHYJQAKRRHK-IEBWSBKVSA-N 0 0 333.428 2.286 40 0 EEABRN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCc2n[nH]cc2C1 ZINC000113156750 151974992 /nfs/dbraw/zinc/97/49/92/151974992.db2.gz SWPBKRMVHCETKZ-UHFFFAOYSA-N 0 0 326.331 2.331 40 0 EEABRN CSc1nc2c(c(C)n1)C[C@H](N1C(=O)c3ccccc3C1=O)O2 ZINC000005921888 286734755 /nfs/dbraw/zinc/73/47/55/286734755.db2.gz KRSINUDSYAHAOW-GFCCVEGCSA-N 0 0 327.365 2.064 40 0 EEABRN Cn1cc(N2CCC[C@H](N3CCO[C@@H](c4cccs4)C3)C2=O)cn1 ZINC000247356999 160321905 /nfs/dbraw/zinc/32/19/05/160321905.db2.gz KCUYFKCBCYFJIG-LSDHHAIUSA-N 0 0 346.456 2.051 40 0 EEABRN O=C(NCc1nc(-c2ccccc2)cs1)NCC1(O)CCOCC1 ZINC000171427425 227076475 /nfs/dbraw/zinc/07/64/75/227076475.db2.gz IPLCUABFDPKAKI-UHFFFAOYSA-N 0 0 347.440 2.151 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)c2ccn(C)n2)cc1Cl ZINC000278579525 274376718 /nfs/dbraw/zinc/37/67/18/274376718.db2.gz CQIIPLHMCHQUQP-UHFFFAOYSA-N 0 0 329.809 2.216 40 0 EEABRN CC(C)COc1cncc(N2CCCN(C(=O)c3ccc[nH]3)CC2)n1 ZINC000086181939 275583227 /nfs/dbraw/zinc/58/32/27/275583227.db2.gz NSUAJANAVUVXBV-UHFFFAOYSA-N 0 0 343.431 2.192 40 0 EEABRN COCCN1CC[C@@]2(CCCN(C(=O)c3occc3C)CC2)C1=O ZINC000108536026 277226227 /nfs/dbraw/zinc/22/62/27/277226227.db2.gz IDLORMHOXWWBCN-SFHVURJKSA-N 0 0 334.416 2.079 40 0 EEABRN CNC(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152447015 277226774 /nfs/dbraw/zinc/22/67/74/277226774.db2.gz OENKMHYEYGOPFD-XHDPSFHLSA-N 0 0 341.249 2.347 40 0 EEABRN COc1cc(N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)ncn1 ZINC000096239224 277382327 /nfs/dbraw/zinc/38/23/27/277382327.db2.gz DVAVTJZUMISCNF-MRXNPFEDSA-N 0 0 330.413 2.180 40 0 EEABRN CC(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000018029953 278038447 /nfs/dbraw/zinc/03/84/47/278038447.db2.gz SHWMKZFCHOAXHS-INIZCTEOSA-N 0 0 344.411 2.239 40 0 EEABRN Cc1ccc(O)c(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c1 ZINC000092928637 278835458 /nfs/dbraw/zinc/83/54/58/278835458.db2.gz UUTGIPVMSDQIJW-CQSZACIVSA-N 0 0 327.384 2.312 40 0 EEABRN Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCCC2)C3)cn1 ZINC000013227848 279007162 /nfs/dbraw/zinc/00/71/62/279007162.db2.gz OTGLIPSCSWLVDF-UHFFFAOYSA-N 0 0 339.399 2.023 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)n(C)n1 ZINC000071195655 280352776 /nfs/dbraw/zinc/35/27/76/280352776.db2.gz IECVFBVSMXJZFE-CQSZACIVSA-N 0 0 336.399 2.117 40 0 EEABRN Cc1cnc(N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)nc1 ZINC000096038479 281600334 /nfs/dbraw/zinc/60/03/34/281600334.db2.gz NBSUHHJGLCMZGY-UHFFFAOYSA-N 0 0 344.440 2.249 40 0 EEABRN Cc1ccoc1C(=O)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041872 292813513 /nfs/dbraw/zinc/81/35/13/292813513.db2.gz IEPNVNDFASHONN-JJRVBVJISA-N 0 0 328.368 2.434 40 0 EEABRN CC1(C)CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H](C(F)(F)F)O1 ZINC000293656181 293262483 /nfs/dbraw/zinc/26/24/83/293262483.db2.gz HGMMAXIQDZVBHC-NSHDSACASA-N 0 0 328.294 2.140 40 0 EEABRN CC(C)OCCCNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000298117927 294424559 /nfs/dbraw/zinc/42/45/59/294424559.db2.gz SKZGNCJSUNZZTI-UHFFFAOYSA-N 0 0 336.432 2.021 40 0 EEABRN O=C(Cc1ccccc1)N1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000040386065 295555020 /nfs/dbraw/zinc/55/50/20/295555020.db2.gz YDPJSFQHLUAPTG-QGZVFWFLSA-N 0 0 334.375 2.407 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)C1 ZINC000072241621 297355721 /nfs/dbraw/zinc/35/57/21/297355721.db2.gz TVUBSERXZZKWLQ-GGNLRSJOSA-N 0 0 348.418 2.229 40 0 EEABRN Nc1nccnc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084369030 303505547 /nfs/dbraw/zinc/50/55/47/303505547.db2.gz RNZGKCZNOAAYGM-CQSZACIVSA-N 0 0 338.367 2.028 40 0 EEABRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)Cc1ccccc1 ZINC000328705364 311614160 /nfs/dbraw/zinc/61/41/60/311614160.db2.gz PFFZHNUXJZDOGK-PHSGOXPASA-N 0 0 339.439 2.261 40 0 EEABRN C[C@H](c1ccccn1)N(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000328927130 311633223 /nfs/dbraw/zinc/63/32/23/311633223.db2.gz WWQRJYWLAVXAIN-OAHLLOKOSA-N 0 0 341.459 2.247 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)cc1F ZINC000330755348 311783725 /nfs/dbraw/zinc/78/37/25/311783725.db2.gz GEBSWFCSDDYXEA-LLVKDONJSA-N 0 0 343.420 2.369 40 0 EEABRN COc1cccc2c1ccnc2N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000567571757 319391487 /nfs/dbraw/zinc/39/14/87/319391487.db2.gz SMXQKEPDNZPWNH-OAHLLOKOSA-N 0 0 339.399 2.428 40 0 EEABRN C[C@]1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCCO1 ZINC000189243835 323462678 /nfs/dbraw/zinc/46/26/78/323462678.db2.gz AXHUHFYYANVISM-CQSZACIVSA-N 0 0 337.386 2.129 40 0 EEABRN COC(=O)c1coc(Cn2cc(Br)c(C)cc2=O)c1 ZINC000193091891 323483664 /nfs/dbraw/zinc/48/36/64/323483664.db2.gz MZQQGIXAJLUTMD-UHFFFAOYSA-N 0 0 326.146 2.347 40 0 EEABRN O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCCC1=O)c1ccno1 ZINC000085467511 462548584 /nfs/dbraw/zinc/54/85/84/462548584.db2.gz OBLJERZOROGXTA-OAHLLOKOSA-N 0 0 345.374 2.167 40 0 EEABRN COC(=O)c1ccc(NC(=O)Cc2ccon2)c(Br)c1 ZINC000085731405 462558152 /nfs/dbraw/zinc/55/81/52/462558152.db2.gz FJYHUMDUZKXZBU-UHFFFAOYSA-N 0 0 339.145 2.405 40 0 EEABRN Cc1ccccc1-c1c(N)nc(N)nc1C(=O)Nc1nccs1 ZINC000000408383 462558743 /nfs/dbraw/zinc/55/87/43/462558743.db2.gz IHNSXFYYUFOAKA-UHFFFAOYSA-N 0 0 326.385 2.325 40 0 EEABRN CNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000000420109 462561949 /nfs/dbraw/zinc/56/19/49/462561949.db2.gz MBHXSPNJGIIJDI-OAHLLOKOSA-N 0 0 345.468 2.322 40 0 EEABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(C)=O ZINC000000557816 462570679 /nfs/dbraw/zinc/57/06/79/462570679.db2.gz SHLDPDMYVXQJOT-UHFFFAOYSA-N 0 0 333.369 2.373 40 0 EEABRN C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2F)C1=O ZINC000001361818 462580311 /nfs/dbraw/zinc/58/03/11/462580311.db2.gz AVPIPSKVIZTGQC-LBPRGKRZSA-N 0 0 328.343 2.256 40 0 EEABRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCN1CCCC1=O ZINC000088200826 462614234 /nfs/dbraw/zinc/61/42/34/462614234.db2.gz GGHONTJJDVDCGG-MRXNPFEDSA-N 0 0 329.444 2.256 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-] ZINC000004318924 462631579 /nfs/dbraw/zinc/63/15/79/462631579.db2.gz JLXXPVQLAJLGRL-BXUZGUMPSA-N 0 0 340.807 2.199 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-] ZINC000004318921 462631778 /nfs/dbraw/zinc/63/17/78/462631778.db2.gz JLXXPVQLAJLGRL-RISCZKNCSA-N 0 0 340.807 2.199 40 0 EEABRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000005026400 462643902 /nfs/dbraw/zinc/64/39/02/462643902.db2.gz ZDXCHKAZWOXGNU-NSHDSACASA-N 0 0 344.392 2.271 40 0 EEABRN COc1ccccc1C(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000005079157 462644406 /nfs/dbraw/zinc/64/44/06/462644406.db2.gz CCLQYMUATYGXGO-UHFFFAOYSA-N 0 0 342.351 2.449 40 0 EEABRN CC(C)(C)OC(=O)n1nc(CN2CCOCC2)c2ccc(N)cc21 ZINC000089195765 462653979 /nfs/dbraw/zinc/65/39/79/462653979.db2.gz HYBPOBKOXMSDSR-UHFFFAOYSA-N 0 0 332.404 2.234 40 0 EEABRN CCOC(=O)[C@H](C)Sc1n[nH]c(-c2c(Cl)c(CC)nn2C)n1 ZINC000005686723 462666584 /nfs/dbraw/zinc/66/65/84/462666584.db2.gz AZTDCACHOHIVDK-ZETCQYMHSA-N 0 0 343.840 2.465 40 0 EEABRN CCOc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nccs1 ZINC000063871203 462680662 /nfs/dbraw/zinc/68/06/62/462680662.db2.gz VVIWMDPHGHJGDG-SNVBAGLBSA-N 0 0 340.426 2.343 40 0 EEABRN C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC ZINC000006951170 462713786 /nfs/dbraw/zinc/71/37/86/462713786.db2.gz BYUCDBQZBXXIJI-XYOKQWHBSA-N 0 0 334.759 2.273 40 0 EEABRN CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Cl ZINC000006958001 462714333 /nfs/dbraw/zinc/71/43/33/462714333.db2.gz DEOLPDADJWBMIJ-BAQGIRSFSA-N 0 0 328.155 2.494 40 0 EEABRN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 ZINC000008473949 462784320 /nfs/dbraw/zinc/78/43/20/462784320.db2.gz IBKKDHKGVYQKGR-GFCCVEGCSA-N 0 0 330.413 2.455 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCCCc1ccccc1 ZINC000009994194 462810627 /nfs/dbraw/zinc/81/06/27/462810627.db2.gz IDJWVBDURIMQTH-UHFFFAOYSA-N 0 0 326.396 2.060 40 0 EEABRN CC(C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010337844 462817353 /nfs/dbraw/zinc/81/73/53/462817353.db2.gz AIGDXOROMHEREL-UHFFFAOYSA-N 0 0 326.462 2.275 40 0 EEABRN C[C@@H](NC(=O)Cc1ccccc1F)c1nc(-c2cccnc2)n[nH]1 ZINC000012114736 462843145 /nfs/dbraw/zinc/84/31/45/462843145.db2.gz QHUKPLFKMWEJQC-LLVKDONJSA-N 0 0 325.347 2.426 40 0 EEABRN CCn1c2ccccc2nc1N1CCC(C(=O)NCCCCO)CC1 ZINC000012116405 462844040 /nfs/dbraw/zinc/84/40/40/462844040.db2.gz AOCAYFJQNVGDLB-UHFFFAOYSA-N 0 0 344.459 2.161 40 0 EEABRN CC(C)(C)c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C[C@@H]1CCOC1)CC3 ZINC000012142917 462844658 /nfs/dbraw/zinc/84/46/58/462844658.db2.gz HENZTYJVNDRYDU-LBPRGKRZSA-N 0 0 330.432 2.127 40 0 EEABRN COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnccn2)cc1 ZINC000012145647 462844681 /nfs/dbraw/zinc/84/46/81/462844681.db2.gz KKSJEUSEEMTWDF-INIZCTEOSA-N 0 0 349.394 2.478 40 0 EEABRN CCn1cc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(C)n1 ZINC000012146031 462844776 /nfs/dbraw/zinc/84/47/76/462844776.db2.gz JMODMACIBCDYAC-UHFFFAOYSA-N 0 0 340.427 2.326 40 0 EEABRN Cc1ccc(-c2nc(N3CCC(O)CC3)ncc2-c2cnccn2)o1 ZINC000012186312 462846362 /nfs/dbraw/zinc/84/63/62/462846362.db2.gz NAAUHBINOVYYOV-UHFFFAOYSA-N 0 0 337.383 2.463 40 0 EEABRN CCc1cc(N2CCC(O)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000012186241 462846658 /nfs/dbraw/zinc/84/66/58/462846658.db2.gz RIRWWBZYKJIWBF-UHFFFAOYSA-N 0 0 325.416 2.418 40 0 EEABRN Cn1nc(C2CCN(C(=O)C3CCOCC3)CC2)c2cccnc21 ZINC000012186788 462846687 /nfs/dbraw/zinc/84/66/87/462846687.db2.gz RZEWLMZXUYTXFY-UHFFFAOYSA-N 0 0 328.416 2.101 40 0 EEABRN COc1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc[nH]2)cc1 ZINC000012221393 462847013 /nfs/dbraw/zinc/84/70/13/462847013.db2.gz OLVNDBBZQQTCFA-UHFFFAOYSA-N 0 0 337.383 2.379 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)cc1 ZINC000048234583 462877772 /nfs/dbraw/zinc/87/77/72/462877772.db2.gz RSWDUKPTEPBOJE-UHFFFAOYSA-N 0 0 342.424 2.113 40 0 EEABRN Nc1nc(-c2ccncc2)cc(-c2cc(-c3ccncc3)nc(N)n2)n1 ZINC000013213314 462887340 /nfs/dbraw/zinc/88/73/40/462887340.db2.gz ZDEZRIKIESUZGR-UHFFFAOYSA-N 0 0 342.366 2.222 40 0 EEABRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)C=C[C@]5(O)[C@@H]3CC[C@@]21C ZINC000013408287 462891969 /nfs/dbraw/zinc/89/19/69/462891969.db2.gz GSTJTUIKTZSOQN-QBDJUEEESA-N 0 0 346.423 2.162 40 0 EEABRN CCc1nsc(N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000092582586 462963967 /nfs/dbraw/zinc/96/39/67/462963967.db2.gz FIWJUROMPOTDMU-UHFFFAOYSA-N 0 0 348.428 2.337 40 0 EEABRN CCOC(=O)CS[C@H]1CC(=O)N(c2ccccc2OCC)C1=O ZINC000016899831 462991109 /nfs/dbraw/zinc/99/11/09/462991109.db2.gz GKGSVEOYKLAWSA-ZDUSSCGKSA-N 0 0 337.397 2.014 40 0 EEABRN C[C@@H](OC(=O)c1ccccc1)C(=O)NCCOC(=O)c1ccccc1 ZINC000016889892 462991397 /nfs/dbraw/zinc/99/13/97/462991397.db2.gz GEZZPMXOKXCUQE-CQSZACIVSA-N 0 0 341.363 2.205 40 0 EEABRN CC(C)N(C(=O)C1CCN(c2ccc3nncn3n2)CC1)C1CCC1 ZINC000078185270 463090999 /nfs/dbraw/zinc/09/09/99/463090999.db2.gz FFLXSSNHCQWNBU-UHFFFAOYSA-N 0 0 342.447 2.130 40 0 EEABRN C[C@@H]1Oc2ccccc2N(CCc2nc(-c3ccccn3)no2)C1=O ZINC000078773886 463147564 /nfs/dbraw/zinc/14/75/64/463147564.db2.gz CGSDFXQUSYOUCS-LBPRGKRZSA-N 0 0 336.351 2.488 40 0 EEABRN Cc1cnn(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)c1 ZINC000078774615 463147943 /nfs/dbraw/zinc/14/79/43/463147943.db2.gz DYBDVKVZZDXNAZ-UHFFFAOYSA-N 0 0 339.399 2.122 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1sccc1C ZINC000096045372 463149475 /nfs/dbraw/zinc/14/94/75/463149475.db2.gz QGZZGKUCGUBYPF-AWEZNQCLSA-N 0 0 346.456 2.444 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048518 463151683 /nfs/dbraw/zinc/15/16/83/463151683.db2.gz UWCLGRYHCPFWHX-YOEHRIQHSA-N 0 0 346.362 2.085 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)cc1F ZINC000096063988 463163810 /nfs/dbraw/zinc/16/38/10/463163810.db2.gz SDFUHXAUTUPSLS-ZWKOTPCHSA-N 0 0 342.418 2.357 40 0 EEABRN CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 ZINC000096075057 463168929 /nfs/dbraw/zinc/16/89/29/463168929.db2.gz OSBLSNVWRWUYLA-GDBMZVCRSA-N 0 0 340.420 2.216 40 0 EEABRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@@H]2CC=CCC2)C1=O ZINC000068740889 463170466 /nfs/dbraw/zinc/17/04/66/463170466.db2.gz RPHMSYUERXCXIQ-AUUYWEPGSA-N 0 0 342.395 2.353 40 0 EEABRN O=C(c1cccc(F)c1)N1CCCn2nnc(COCC3CC3)c2C1 ZINC000096084363 463171180 /nfs/dbraw/zinc/17/11/80/463171180.db2.gz DPNYZGIRDOGCAF-UHFFFAOYSA-N 0 0 344.390 2.390 40 0 EEABRN CS(=O)(=O)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000096098255 463172014 /nfs/dbraw/zinc/17/20/14/463172014.db2.gz ZVAOWGCHTRUIKY-UHFFFAOYSA-N 0 0 340.489 2.174 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2nn(C)c3c2CCCC3)c(C)c1 ZINC000096099172 463172869 /nfs/dbraw/zinc/17/28/69/463172869.db2.gz DKZBOPYCYCQPAK-UHFFFAOYSA-N 0 0 349.456 2.094 40 0 EEABRN COC[C@@H]1COCCC12CCN(C(=O)COc1ccccc1)CC2 ZINC000096106290 463173935 /nfs/dbraw/zinc/17/39/35/463173935.db2.gz KCROIVLBKQMDQO-MRXNPFEDSA-N 0 0 333.428 2.357 40 0 EEABRN Cc1ccc(C)n1-c1sccc1C(=O)NC1CCN(C(N)=O)CC1 ZINC000079001124 463177507 /nfs/dbraw/zinc/17/75/07/463177507.db2.gz JYOWJCFXTDGFBM-UHFFFAOYSA-N 0 0 346.456 2.429 40 0 EEABRN CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000079029092 463180851 /nfs/dbraw/zinc/18/08/51/463180851.db2.gz AFUSVMVZEYEADS-NSHDSACASA-N 0 0 333.215 2.455 40 0 EEABRN Cn1cc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cn1 ZINC000096120217 463181297 /nfs/dbraw/zinc/18/12/97/463181297.db2.gz HXKRVEZOSSEXJY-UHFFFAOYSA-N 0 0 325.459 2.272 40 0 EEABRN Cc1ccc(CC(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cn1 ZINC000079048780 463182997 /nfs/dbraw/zinc/18/29/97/463182997.db2.gz GJWWIPRVEUHKNK-GOSISDBHSA-N 0 0 349.394 2.152 40 0 EEABRN Cc1csc(C(C)(C)NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000079079021 463186876 /nfs/dbraw/zinc/18/68/76/463186876.db2.gz VNWIWCNZWLGMAA-NSHDSACASA-N 0 0 338.477 2.385 40 0 EEABRN Cc1nc(CN2CC[C@@]3(CCN(C(=O)C4CC=CC4)C3)C2=O)cs1 ZINC000096159469 463191043 /nfs/dbraw/zinc/19/10/43/463191043.db2.gz BPAMZMNQVFMSBZ-SFHVURJKSA-N 0 0 345.468 2.369 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)cn2)n1 ZINC000096186530 463199539 /nfs/dbraw/zinc/19/95/39/463199539.db2.gz CAZNSFOBPATMHS-HZPDHXFCSA-N 0 0 341.390 2.089 40 0 EEABRN Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cscn1)CC2 ZINC000096197783 463203626 /nfs/dbraw/zinc/20/36/26/463203626.db2.gz UDTKEQRBJUHTCX-CQSZACIVSA-N 0 0 332.429 2.043 40 0 EEABRN CCc1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096202299 463207416 /nfs/dbraw/zinc/20/74/16/463207416.db2.gz WCHKBWZAJHTSST-LJQANCHMSA-N 0 0 342.443 2.361 40 0 EEABRN Cn1cc([C@H]2[C@@H](C(=O)NCCC3=CCCCC3)CCC(=O)N2C)cn1 ZINC000079359185 463208347 /nfs/dbraw/zinc/20/83/47/463208347.db2.gz PJSGQLXNXKHFNY-WMZOPIPTSA-N 0 0 344.459 2.336 40 0 EEABRN COc1ccc(CNC(=O)CNC(=O)C(C)(C)c2cccs2)cc1 ZINC000079357513 463208434 /nfs/dbraw/zinc/20/84/34/463208434.db2.gz XYDLNJOPHMOXJS-UHFFFAOYSA-N 0 0 346.452 2.467 40 0 EEABRN Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)CC4=CCCCC4)CC[C@H]32)n1 ZINC000096207759 463210905 /nfs/dbraw/zinc/21/09/05/463210905.db2.gz PJJVFHNDEWMVNG-BRWVUGGUSA-N 0 0 344.459 2.410 40 0 EEABRN CCOC[C@@H]1Cn2cncc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096209729 463213919 /nfs/dbraw/zinc/21/39/19/463213919.db2.gz CQHMZYORRDRZBZ-OAHLLOKOSA-N 0 0 349.456 2.049 40 0 EEABRN Cn1ccnc1CN1CCC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096222840 463219771 /nfs/dbraw/zinc/21/97/71/463219771.db2.gz LJMGIXYBAWQKOI-FUHWJXTLSA-N 0 0 327.432 2.051 40 0 EEABRN CCOCc1ncn2c1CN(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000096260163 463230445 /nfs/dbraw/zinc/23/04/45/463230445.db2.gz OMZVWPHUEJQSIM-UHFFFAOYSA-N 0 0 330.388 2.476 40 0 EEABRN CCSc1ccccc1C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000096366104 463236375 /nfs/dbraw/zinc/23/63/75/463236375.db2.gz YEAYITOJINGIJF-UHFFFAOYSA-N 0 0 327.471 2.448 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)c1ccccc1 ZINC000096375444 463237512 /nfs/dbraw/zinc/23/75/12/463237512.db2.gz MZJZZWJYDNSIIZ-XYPWUTKMSA-N 0 0 349.452 2.216 40 0 EEABRN C[S@@](=O)CCNC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000096408828 463241353 /nfs/dbraw/zinc/24/13/53/463241353.db2.gz OYVCANJCZFNOQY-AAINXJRWSA-N 0 0 334.363 2.239 40 0 EEABRN CO[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC000096408773 463241768 /nfs/dbraw/zinc/24/17/68/463241768.db2.gz YJZQBKHKIBLDAO-FPTDNZKUSA-N 0 0 326.462 2.221 40 0 EEABRN COC[C@@H](O)CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096410586 463243348 /nfs/dbraw/zinc/24/33/48/463243348.db2.gz FAKAZIZIWOBHAG-QMMMGPOBSA-N 0 0 326.702 2.488 40 0 EEABRN CN(Cc1cccc(C(N)=O)c1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000096409851 463242830 /nfs/dbraw/zinc/24/28/30/463242830.db2.gz MCNNZPOITVCXJE-UHFFFAOYSA-N 0 0 334.379 2.243 40 0 EEABRN C[S@](=O)CCNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000096408859 463243024 /nfs/dbraw/zinc/24/30/24/463243024.db2.gz PHDHGPKKIJAHBA-HSZRJFAPSA-N 0 0 348.390 2.415 40 0 EEABRN CC(C)CCC(=O)NCC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000096411281 463243582 /nfs/dbraw/zinc/24/35/82/463243582.db2.gz KSMGGKJZTHIITE-WMLDXEAASA-N 0 0 326.481 2.496 40 0 EEABRN CCn1nnnc1-c1cccc(NC(=O)Cc2csc(C)n2)c1 ZINC000096413950 463246287 /nfs/dbraw/zinc/24/62/87/463246287.db2.gz OTTCZVJAAIFVGJ-UHFFFAOYSA-N 0 0 328.401 2.306 40 0 EEABRN O=C(Nc1cnn(-c2ncccn2)c1)c1cccnc1N1CCCCC1 ZINC000096414113 463247137 /nfs/dbraw/zinc/24/71/37/463247137.db2.gz GGPQHNCAAYNHOQ-UHFFFAOYSA-N 0 0 349.398 2.300 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1csnn1 ZINC000096423849 463254252 /nfs/dbraw/zinc/25/42/52/463254252.db2.gz UUMNVFLHLKFPEP-SNVBAGLBSA-N 0 0 336.804 2.117 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)CN(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424448 463255452 /nfs/dbraw/zinc/25/54/52/463255452.db2.gz XIHLKHSBHFFUJL-INIZCTEOSA-N 0 0 346.406 2.302 40 0 EEABRN COCCc1nnc(SCc2csc(-c3ccoc3)n2)n1N ZINC000096430400 463259800 /nfs/dbraw/zinc/25/98/00/463259800.db2.gz GJLOJHBDTQJZBQ-UHFFFAOYSA-N 0 0 337.430 2.190 40 0 EEABRN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000096430487 463260362 /nfs/dbraw/zinc/26/03/62/463260362.db2.gz UFHKOZNQANAYBP-INIZCTEOSA-N 0 0 340.427 2.014 40 0 EEABRN C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000096431020 463260401 /nfs/dbraw/zinc/26/04/01/463260401.db2.gz VYWXVFLVOBIOEY-TZMCWYRMSA-N 0 0 327.421 2.088 40 0 EEABRN Cc1nc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)oc1C ZINC000096436195 463263314 /nfs/dbraw/zinc/26/33/14/463263314.db2.gz WNSPCJJMIONONY-KRWDZBQOSA-N 0 0 343.427 2.199 40 0 EEABRN O=C(NCCn1c(=S)[nH]nc1C1CC1)c1noc2c1CCCC2 ZINC000096437027 463265226 /nfs/dbraw/zinc/26/52/26/463265226.db2.gz UTPOXSSGPSHFLR-UHFFFAOYSA-N 0 0 333.417 2.115 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)n1 ZINC000096439325 463266179 /nfs/dbraw/zinc/26/61/79/463266179.db2.gz VLTMNJGTDVFQHB-AAEUAGOBSA-N 0 0 346.479 2.169 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@@H](O)c1cccc(F)c1 ZINC000096521403 463293664 /nfs/dbraw/zinc/29/36/64/463293664.db2.gz ZCVWERPWQZECQY-WDEREUQCSA-N 0 0 325.199 2.405 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)S1 ZINC000096443765 463268882 /nfs/dbraw/zinc/26/88/82/463268882.db2.gz LDVHGRHOBTXSHT-CYBMUJFWSA-N 0 0 342.468 2.427 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)NCc1ncccc1C ZINC000096446013 463270564 /nfs/dbraw/zinc/27/05/64/463270564.db2.gz QNVFCYYVNLHJFN-UHFFFAOYSA-N 0 0 337.387 2.250 40 0 EEABRN Cc1cccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN2c2ncccn2)c1 ZINC000096446774 463270797 /nfs/dbraw/zinc/27/07/97/463270797.db2.gz FMXDJDXJYJQWHC-WBVHZDCISA-N 0 0 340.427 2.338 40 0 EEABRN CC(C)(CNC(=O)Cc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000096451614 463273208 /nfs/dbraw/zinc/27/32/08/463273208.db2.gz DZCGQTQQKXTTAC-UHFFFAOYSA-N 0 0 337.363 2.187 40 0 EEABRN Cc1nnc([C@H](NS(=O)(=O)c2cc(F)c(F)c(F)c2)C(C)C)[nH]1 ZINC000096454017 463273781 /nfs/dbraw/zinc/27/37/81/463273781.db2.gz QZOXOBXPEDTTEU-GFCCVEGCSA-N 0 0 348.350 2.206 40 0 EEABRN CCS[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000096456068 463275191 /nfs/dbraw/zinc/27/51/91/463275191.db2.gz CSLUQUYJNKVPJJ-HOTGVXAUSA-N 0 0 345.472 2.385 40 0 EEABRN CC(C)[C@@H](O)C(C)(C)CNC(=O)Nc1ccccc1-n1ccnn1 ZINC000096484108 463282561 /nfs/dbraw/zinc/28/25/61/463282561.db2.gz LWHXETJQOJVJIC-OAHLLOKOSA-N 0 0 331.420 2.432 40 0 EEABRN CCN1C[C@@H](COC(=O)c2cnn(-c3ccc(F)cc3F)c2)CC1=O ZINC000096485229 463283827 /nfs/dbraw/zinc/28/38/27/463283827.db2.gz ASIFZAQBKOEMLZ-NSHDSACASA-N 0 0 349.337 2.176 40 0 EEABRN CC(=O)[C@@H](NC(=O)CN1CCN(c2cccc(C)c2C)CC1)C(C)C ZINC000055104798 463284925 /nfs/dbraw/zinc/28/49/25/463284925.db2.gz GSIYJVBTSUUNEM-FQEVSTJZSA-N 0 0 345.487 2.155 40 0 EEABRN COc1cccc([C@H](O)C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000096486932 463285162 /nfs/dbraw/zinc/28/51/62/463285162.db2.gz LHSSFFASWHOGDU-KRWDZBQOSA-N 0 0 346.452 2.135 40 0 EEABRN COC(=O)CCN1CCN(C(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000096491193 463286179 /nfs/dbraw/zinc/28/61/79/463286179.db2.gz YWSCAZXBKNULKR-CYBMUJFWSA-N 0 0 330.384 2.142 40 0 EEABRN COC(=O)c1cc(NC(=O)Cc2ccon2)ccc1Br ZINC000096492136 463287985 /nfs/dbraw/zinc/28/79/85/463287985.db2.gz IHFRTMUSWZVXLE-UHFFFAOYSA-N 0 0 339.145 2.405 40 0 EEABRN C[C@]1(O)CCCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C1 ZINC000096494192 463288056 /nfs/dbraw/zinc/28/80/56/463288056.db2.gz LRBGXXAECLFRSY-HNNXBMFYSA-N 0 0 338.770 2.047 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccnc1NC(C)C ZINC000096495144 463288937 /nfs/dbraw/zinc/28/89/37/463288937.db2.gz QQMVGKVEEVBAIS-CYBMUJFWSA-N 0 0 328.420 2.321 40 0 EEABRN Cc1cc(Br)ccc1CC(=O)Nc1cccc(C(N)=O)n1 ZINC000096499779 463290748 /nfs/dbraw/zinc/29/07/48/463290748.db2.gz JEZJDVUCAJEOGP-UHFFFAOYSA-N 0 0 348.200 2.433 40 0 EEABRN NC(=O)c1cccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c1 ZINC000096503091 463292454 /nfs/dbraw/zinc/29/24/54/463292454.db2.gz FFEDSQODIPSZSA-UHFFFAOYSA-N 0 0 348.277 2.143 40 0 EEABRN CN(Cc1ccn(C)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000097095380 463321698 /nfs/dbraw/zinc/32/16/98/463321698.db2.gz JJPYLSXYIOVBPR-AWEZNQCLSA-N 0 0 336.233 2.446 40 0 EEABRN O=C(N[C@@H]1CCCN(CC2OCCO2)C1)c1ccc2ccccc2c1 ZINC000097232024 463350750 /nfs/dbraw/zinc/35/07/50/463350750.db2.gz AAHSAVGISNGRNI-GOSISDBHSA-N 0 0 340.423 2.407 40 0 EEABRN Cc1ccc([C@]2(C)NC(=O)N(Cc3ccnc(N(C)C)c3)C2=O)cc1 ZINC000097238394 463354508 /nfs/dbraw/zinc/35/45/08/463354508.db2.gz HJVCCRSLLFWGBT-IBGZPJMESA-N 0 0 338.411 2.423 40 0 EEABRN C[S@](=O)c1ccc(CNC(=O)NC2Cc3ccccc3C2)cc1 ZINC000097377411 463356166 /nfs/dbraw/zinc/35/61/66/463356166.db2.gz JXFYQMALJFEHKS-HSZRJFAPSA-N 0 0 328.437 2.391 40 0 EEABRN CN1CCO[C@@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000081312085 463418654 /nfs/dbraw/zinc/41/86/54/463418654.db2.gz FRJURGJLRLHEQL-CQSZACIVSA-N 0 0 345.424 2.270 40 0 EEABRN O=C(NCc1ccc2c(c1)OCO2)c1cnc2c(F)cccc2c1O ZINC000035316024 463431020 /nfs/dbraw/zinc/43/10/20/463431020.db2.gz XAGAQZPELIGXNC-UHFFFAOYSA-N 0 0 340.310 2.326 40 0 EEABRN Cn1c(C(=O)OCC(=O)NCc2ccc(F)cc2)cc2occc21 ZINC000035315798 463431348 /nfs/dbraw/zinc/43/13/48/463431348.db2.gz GTPSVUQHURLYDQ-UHFFFAOYSA-N 0 0 330.315 2.384 40 0 EEABRN CN(c1ccccc1)S(=O)(=O)c1c[nH]cc(Br)c1=O ZINC000072210865 463482082 /nfs/dbraw/zinc/48/20/82/463482082.db2.gz GQTNPDKBICEHPK-UHFFFAOYSA-N 0 0 343.202 2.375 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@H](C(N)=O)c1cccc(F)c1 ZINC000072599556 463524009 /nfs/dbraw/zinc/52/40/09/463524009.db2.gz LNHYOAFGZYPQMV-XNJGSVPQSA-N 0 0 335.423 2.073 40 0 EEABRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(O)c(Cl)c1 ZINC000058290599 463570730 /nfs/dbraw/zinc/57/07/30/463570730.db2.gz IOXSKVHBSLAVCS-GFCCVEGCSA-N 0 0 326.805 2.402 40 0 EEABRN COc1cccc(N2CCN(c3ccccc3S(C)(=O)=O)CC2)c1 ZINC000072990833 463571580 /nfs/dbraw/zinc/57/15/80/463571580.db2.gz UXFQAMLVXSEETF-UHFFFAOYSA-N 0 0 346.452 2.425 40 0 EEABRN Cc1nnc([C@H](NS(=O)(=O)c2cc(C)c(F)cc2F)C(C)C)[nH]1 ZINC000084675160 463621909 /nfs/dbraw/zinc/62/19/09/463621909.db2.gz JNTSNQVNKANXSI-CYBMUJFWSA-N 0 0 344.387 2.375 40 0 EEABRN CC(C)n1ccc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n1 ZINC000085264731 463643341 /nfs/dbraw/zinc/64/33/41/463643341.db2.gz ZCRZYOGZAFBOGC-UHFFFAOYSA-N 0 0 335.477 2.103 40 0 EEABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCN1CCOCC1 ZINC000044884906 463697506 /nfs/dbraw/zinc/69/75/06/463697506.db2.gz JPBJNDVYKYLGOS-GOSISDBHSA-N 0 0 342.439 2.446 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cc1 ZINC000257228496 463755914 /nfs/dbraw/zinc/75/59/14/463755914.db2.gz FUCMFMDSSMQCHQ-IAGOWNOFSA-N 0 0 330.428 2.240 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)nc(C)n1 ZINC000257283932 463762012 /nfs/dbraw/zinc/76/20/12/463762012.db2.gz PANBKGNJKYLMCD-MRXNPFEDSA-N 0 0 337.383 2.183 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2C(=O)c2cnn3cccnc23)ccn1 ZINC000257286982 463763389 /nfs/dbraw/zinc/76/33/89/463763389.db2.gz PNXXSGGXKWNMKR-OAHLLOKOSA-N 0 0 336.399 2.168 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCOC[C@@H]3c3nc(C)c[nH]3)c2c1 ZINC000257302755 463769036 /nfs/dbraw/zinc/76/90/36/463769036.db2.gz SEFDKXQYXZDLRU-MRXNPFEDSA-N 0 0 340.383 2.422 40 0 EEABRN Cc1nc(C(=O)N2CCC3(C[C@H](Cc4cnccn4)CO3)CC2)co1 ZINC000257299157 463769103 /nfs/dbraw/zinc/76/91/03/463769103.db2.gz ROYRBGKFTNXWIA-AWEZNQCLSA-N 0 0 342.399 2.027 40 0 EEABRN CC(C)(C(=O)N1CCO[C@H](c2cnccn2)C1)c1ccccc1F ZINC000257310735 463773533 /nfs/dbraw/zinc/77/35/33/463773533.db2.gz UGHKYFIEGITXID-INIZCTEOSA-N 0 0 329.375 2.493 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 ZINC000257311661 463773898 /nfs/dbraw/zinc/77/38/98/463773898.db2.gz UKNLJMLTAMBTDJ-HNNXBMFYSA-N 0 0 337.427 2.484 40 0 EEABRN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000257318481 463776573 /nfs/dbraw/zinc/77/65/73/463776573.db2.gz VOCSFBJNJGXPNC-INIZCTEOSA-N 0 0 334.379 2.343 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)CCCc2ccncc2)C1 ZINC000257328319 463779426 /nfs/dbraw/zinc/77/94/26/463779426.db2.gz XFCVRFRRCGOHNB-INIZCTEOSA-N 0 0 339.443 2.258 40 0 EEABRN CC(=O)N1CCO[C@@H](c2cc(NCc3ccccc3)nc(C)n2)C1 ZINC000257327904 463780268 /nfs/dbraw/zinc/78/02/68/463780268.db2.gz XDGGCTAYAKNLSL-QGZVFWFLSA-N 0 0 326.400 2.317 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC2(CC1)OCCC[C@@H]2OC ZINC000257341501 463785760 /nfs/dbraw/zinc/78/57/60/463785760.db2.gz ZKPJABXAPNSONN-HNNXBMFYSA-N 0 0 335.448 2.022 40 0 EEABRN COc1cc(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341209 463786324 /nfs/dbraw/zinc/78/63/24/463786324.db2.gz ZJIIEJMOVLCIHY-OAHLLOKOSA-N 0 0 347.390 2.164 40 0 EEABRN Cc1cc2nccc(C3CCN(S(=O)(=O)C4CCCC4)CC3)n2n1 ZINC000257340887 463786452 /nfs/dbraw/zinc/78/64/52/463786452.db2.gz ZHXZLOIRKLVBPD-UHFFFAOYSA-N 0 0 348.472 2.490 40 0 EEABRN CNC(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)CC2)ncn1 ZINC000257343358 463787769 /nfs/dbraw/zinc/78/77/69/463787769.db2.gz ZSOWTICDHPPHGK-CYBMUJFWSA-N 0 0 345.472 2.138 40 0 EEABRN O=C1c2ccccc2CCN1CCN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195128019 463998670 /nfs/dbraw/zinc/99/86/70/463998670.db2.gz YRSBBPRTXWXSQS-GOSISDBHSA-N 0 0 347.422 2.182 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)NCC[C@@H](O)C(F)(F)F ZINC000195530558 464072185 /nfs/dbraw/zinc/07/21/85/464072185.db2.gz CHSAIKGGTKNOQM-IJLUTSLNSA-N 0 0 326.359 2.194 40 0 EEABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000195547015 464074775 /nfs/dbraw/zinc/07/47/75/464074775.db2.gz VWYZBPLLIJWNHD-LGWLGOQQSA-N 0 0 333.407 2.414 40 0 EEABRN O=C(NCc1cccs1)N1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000207957744 464100047 /nfs/dbraw/zinc/10/00/47/464100047.db2.gz BEUPIJJHGGXCTA-UHFFFAOYSA-N 0 0 343.456 2.447 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)c2cnc3sccn3c2=O)cc1 ZINC000223036412 464136525 /nfs/dbraw/zinc/13/65/25/464136525.db2.gz JOBBAVJUMJYQSS-SNVBAGLBSA-N 0 0 329.381 2.256 40 0 EEABRN CCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC)cc2)cc1 ZINC000223275445 464139237 /nfs/dbraw/zinc/13/92/37/464139237.db2.gz IBCXSNQDYLNNJQ-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1C ZINC000223573206 464144140 /nfs/dbraw/zinc/14/41/40/464144140.db2.gz FVAAYEQHPWALSB-SJORKVTESA-N 0 0 344.484 2.485 40 0 EEABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1 ZINC000223824570 464146468 /nfs/dbraw/zinc/14/64/68/464146468.db2.gz WSVKZKGTEJVEFM-CYBMUJFWSA-N 0 0 348.424 2.488 40 0 EEABRN CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224269124 464149748 /nfs/dbraw/zinc/14/97/48/464149748.db2.gz MPNAZVLTBUZEFX-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN O=C(NCc1ccnc(N2CCOCC2)n1)Nc1cccc(Cl)c1 ZINC000224218706 464150344 /nfs/dbraw/zinc/15/03/44/464150344.db2.gz TUYVILVCRRWCST-UHFFFAOYSA-N 0 0 347.806 2.288 40 0 EEABRN COc1ccc(-c2cnc(CCC(=O)N3CCOCC3)o2)c(OC)c1 ZINC000224870741 464153415 /nfs/dbraw/zinc/15/34/15/464153415.db2.gz ZZRVIHFUYDNVSM-UHFFFAOYSA-N 0 0 346.383 2.150 40 0 EEABRN CCC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC ZINC000225469420 464162556 /nfs/dbraw/zinc/16/25/56/464162556.db2.gz ZSDSNDMUHJZLGH-SNVBAGLBSA-N 0 0 327.222 2.322 40 0 EEABRN Cn1ncc2c1nc(N1CC[C@H](Cc3ccc(F)c(F)c3)C1)nc2N ZINC000225515169 464168273 /nfs/dbraw/zinc/16/82/73/464168273.db2.gz VFEGMESLRSERIM-LLVKDONJSA-N 0 0 344.369 2.293 40 0 EEABRN Cc1cccc(OC2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)n1 ZINC000225514751 464168395 /nfs/dbraw/zinc/16/83/95/464168395.db2.gz FMRPODRVOHYIIR-CQSZACIVSA-N 0 0 340.427 2.288 40 0 EEABRN CO[C@@H](CNC(=O)NC1CCN(c2nccs2)CC1)C(C)(C)C ZINC000225589722 464173611 /nfs/dbraw/zinc/17/36/11/464173611.db2.gz BZZVREFDVQEBQY-ZDUSSCGKSA-N 0 0 340.493 2.472 40 0 EEABRN COCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225574262 464173936 /nfs/dbraw/zinc/17/39/36/464173936.db2.gz VVEPFMUSQZBQKQ-UHFFFAOYSA-N 0 0 328.815 2.454 40 0 EEABRN C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)CCC(F)(F)F ZINC000225603266 464175395 /nfs/dbraw/zinc/17/53/95/464175395.db2.gz OCTDFRGKBUZSDK-JTQLQIEISA-N 0 0 337.363 2.424 40 0 EEABRN O=C(NCCCc1c[nH]c2ccc(F)cc12)NCCn1ccnc1 ZINC000225695458 464180652 /nfs/dbraw/zinc/18/06/52/464180652.db2.gz VFQQKLLAAXEDSO-UHFFFAOYSA-N 0 0 329.379 2.436 40 0 EEABRN COc1nn(C)cc1C(=O)NC[C@H](OC)c1ccc(Cl)s1 ZINC000225700870 464180733 /nfs/dbraw/zinc/18/07/33/464180733.db2.gz QIUNTGRYYVKEDI-VIFPVBQESA-N 0 0 329.809 2.261 40 0 EEABRN Cc1nc(Br)sc1S(=O)(=O)NCc1ccco1 ZINC000225769223 464182045 /nfs/dbraw/zinc/18/20/45/464182045.db2.gz OMEGFGZEDOBWAX-UHFFFAOYSA-N 0 0 337.220 2.286 40 0 EEABRN Cn1c(CNC(=O)c2ccccc2Cn2cncn2)nc2ccccc21 ZINC000173113231 464193009 /nfs/dbraw/zinc/19/30/09/464193009.db2.gz PZXKPORILXEPIL-UHFFFAOYSA-N 0 0 346.394 2.143 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(-n3ccnn3)c2)no1 ZINC000241231216 464450876 /nfs/dbraw/zinc/45/08/76/464450876.db2.gz KTBUOSLYMODYQM-AWEZNQCLSA-N 0 0 339.359 2.328 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C12CCCC2 ZINC000245281333 464470192 /nfs/dbraw/zinc/47/01/92/464470192.db2.gz ARTSAVAGFRLPLE-YESZJQIVSA-N 0 0 348.487 2.489 40 0 EEABRN Cn1c2ccccc2nc1N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000248029631 464724734 /nfs/dbraw/zinc/72/47/34/464724734.db2.gz KWCMBHIYJWBXLR-LSDHHAIUSA-N 0 0 342.443 2.085 40 0 EEABRN C[C@@H]1CCN(Cc2ccc(OCC(F)F)cc2)CCS1(=O)=O ZINC000192048936 464856377 /nfs/dbraw/zinc/85/63/77/464856377.db2.gz FWYJFLRBFMSINS-GFCCVEGCSA-N 0 0 333.400 2.340 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](OCc2ccccn2)CCO3)cn1 ZINC000249702994 464903829 /nfs/dbraw/zinc/90/38/29/464903829.db2.gz ZKJJOLKLACNBGF-GOSISDBHSA-N 0 0 342.443 2.248 40 0 EEABRN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000192577009 464949975 /nfs/dbraw/zinc/94/99/75/464949975.db2.gz YFKUKHFPQDIMGD-WFASDCNBSA-N 0 0 330.436 2.172 40 0 EEABRN O=C(NCCCOC[C@H]1CCOC1)N1CCC=C(Br)C1 ZINC000252494767 464968498 /nfs/dbraw/zinc/96/84/98/464968498.db2.gz ODZTXSFPLZNOJS-GFCCVEGCSA-N 0 0 347.253 2.124 40 0 EEABRN O=C(COCc1ccccc1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000252522959 464979203 /nfs/dbraw/zinc/97/92/03/464979203.db2.gz BNABQEMFXDZUIW-QAQDUYKDSA-N 0 0 341.411 2.500 40 0 EEABRN Cc1ccnc(OCC[C@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000253477073 465016331 /nfs/dbraw/zinc/01/63/31/465016331.db2.gz CTDKHFSEUNVMBX-HNNXBMFYSA-N 0 0 341.415 2.030 40 0 EEABRN Cc1cnn(CC(=O)N2CC[C@@H](C(F)(F)F)n3nc(C)cc32)c1 ZINC000331402294 466066200 /nfs/dbraw/zinc/06/62/00/466066200.db2.gz DJLLQWOYWWHKPB-NSHDSACASA-N 0 0 327.310 2.237 40 0 EEABRN C[C@@H](NC(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21)c1ccccc1 ZINC000408574565 466681125 /nfs/dbraw/zinc/68/11/25/466681125.db2.gz VFZZXRXDDKDRQO-CYBMUJFWSA-N 0 0 349.390 2.187 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408552638 466681338 /nfs/dbraw/zinc/68/13/38/466681338.db2.gz MFIYAGSHBRYNRN-UHFFFAOYSA-N 0 0 339.395 2.305 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1 ZINC000408595422 466682205 /nfs/dbraw/zinc/68/22/05/466682205.db2.gz QEKAVABPTWFCCQ-CHWSQXEVSA-N 0 0 342.461 2.057 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408595278 466682261 /nfs/dbraw/zinc/68/22/61/466682261.db2.gz URUJHOJOTWAXMQ-STQMWFEESA-N 0 0 342.461 2.055 40 0 EEABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530076561 467947242 /nfs/dbraw/zinc/94/72/42/467947242.db2.gz QMZFJGUZBABFLL-KRWDZBQOSA-N 0 0 349.394 2.404 40 0 EEABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)C4CC(F)C4)C3)C2)n1 ZINC000575406194 468142583 /nfs/dbraw/zinc/14/25/83/468142583.db2.gz VXGPJESQFBVBTD-DQPZFDDXSA-N 0 0 348.418 2.415 40 0 EEABRN Cc1nc2ccc(NC(=S)N[C@@H]3CCS(=O)(=O)C3)cc2s1 ZINC000575422626 468143228 /nfs/dbraw/zinc/14/32/28/468143228.db2.gz NSMJSIIDOJHTRM-SNVBAGLBSA-N 0 0 341.483 2.078 40 0 EEABRN O=C(NC[C@@H]1CCS(=O)(=O)C1)Oc1ccc(-n2cccc2)cc1 ZINC000575424346 468143650 /nfs/dbraw/zinc/14/36/50/468143650.db2.gz KAGRMDGYYABITK-ZDUSSCGKSA-N 0 0 334.397 2.000 40 0 EEABRN COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094567 468963706 /nfs/dbraw/zinc/96/37/06/468963706.db2.gz BTDRSPSHWALMPB-CYBMUJFWSA-N 0 0 338.411 2.125 40 0 EEABRN CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000585094547 468963731 /nfs/dbraw/zinc/96/37/31/468963731.db2.gz AQUGSJBAOQKAQE-CYBMUJFWSA-N 0 0 347.390 2.171 40 0 EEABRN CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 ZINC000585095987 468964713 /nfs/dbraw/zinc/96/47/13/468964713.db2.gz WNBGTJWMSNAXFH-AWEZNQCLSA-N 0 0 346.456 2.190 40 0 EEABRN O=C(CC1CC1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1 ZINC000585097296 468965314 /nfs/dbraw/zinc/96/53/14/468965314.db2.gz JUTLWABIBAFJNK-CQSZACIVSA-N 0 0 338.402 2.125 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3CC[C@@H]2COc2ncccn2)o1 ZINC000585098141 468966928 /nfs/dbraw/zinc/96/69/28/468966928.db2.gz UTQLHHZPLCCFHP-MRXNPFEDSA-N 0 0 339.399 2.428 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000585103619 468970490 /nfs/dbraw/zinc/97/04/90/468970490.db2.gz YKOMONMGKXCIDK-QFBILLFUSA-N 0 0 330.428 2.082 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1ccoc1)C2 ZINC000585110793 468973277 /nfs/dbraw/zinc/97/32/77/468973277.db2.gz GSYWPMVZMYVQTL-OAHLLOKOSA-N 0 0 328.416 2.029 40 0 EEABRN O=C(c1cc[nH]c1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 ZINC000585109335 468973846 /nfs/dbraw/zinc/97/38/46/468973846.db2.gz KHHQPDKTDFMHEJ-FHWLQOOXSA-N 0 0 337.423 2.257 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H]2CCO[C@H]12 ZINC000585109668 468973995 /nfs/dbraw/zinc/97/39/95/468973995.db2.gz YWZDLBWHBDSDGZ-IXDOHACOSA-N 0 0 346.402 2.114 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111152 468974653 /nfs/dbraw/zinc/97/46/53/468974653.db2.gz GSZWOFOTEICLFV-XOKHGSTOSA-N 0 0 325.412 2.317 40 0 EEABRN CC(C)(C)c1csc(CCNS(=O)(=O)c2ccncc2)n1 ZINC000585142376 468991894 /nfs/dbraw/zinc/99/18/94/468991894.db2.gz VABUUABJJFNRIJ-UHFFFAOYSA-N 0 0 325.459 2.357 40 0 EEABRN CN(CCCO)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000585142025 468992173 /nfs/dbraw/zinc/99/21/73/468992173.db2.gz MGXDEOWQJVBTDB-UHFFFAOYSA-N 0 0 340.376 2.016 40 0 EEABRN O=C(Cc1cccnc1)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585268950 468997387 /nfs/dbraw/zinc/99/73/87/468997387.db2.gz FMGWTUSMJBBMAS-AEFFLSMTSA-N 0 0 328.387 2.215 40 0 EEABRN CO[C@H]1CCN(C(=O)CCc2cnn(C)c2)C[C@H]1Cc1ccccc1 ZINC000585270807 468998012 /nfs/dbraw/zinc/99/80/12/468998012.db2.gz BEXJDABKDFVQDY-MOPGFXCFSA-N 0 0 341.455 2.459 40 0 EEABRN O=C(COc1cccc(F)c1)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585273992 468998719 /nfs/dbraw/zinc/99/87/19/468998719.db2.gz XVNRWJIYFGPVES-LJQANCHMSA-N 0 0 345.370 2.247 40 0 EEABRN Cc1nccc(N2CCO[C@@](CO)(Cc3ccc(Cl)cc3)C2)n1 ZINC000585275229 468998970 /nfs/dbraw/zinc/99/89/70/468998970.db2.gz AUPWIMHKERNFPV-KRWDZBQOSA-N 0 0 333.819 2.249 40 0 EEABRN Cc1cncc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)n1 ZINC000585278359 469003369 /nfs/dbraw/zinc/00/33/69/469003369.db2.gz RLTIRUFQNMKSHN-IRXDYDNUSA-N 0 0 329.375 2.132 40 0 EEABRN C=CC(=O)N1CC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000585292720 469012208 /nfs/dbraw/zinc/01/22/08/469012208.db2.gz RTLWHZGSJLIMIZ-AWEZNQCLSA-N 0 0 338.415 2.437 40 0 EEABRN CCc1nc(S(=O)(=O)N(C)c2nc(C)cc(C)n2)cn1CC1CC1 ZINC000663298381 471318393 /nfs/dbraw/zinc/31/83/93/471318393.db2.gz MHUVYKQMSMSDDZ-UHFFFAOYSA-N 0 0 349.460 2.087 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 ZINC000033616631 490578841 /nfs/dbraw/zinc/57/88/41/490578841.db2.gz FQSAFQXKOKBQJM-UHFFFAOYSA-N 0 0 338.824 2.253 40 0 EEABRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nccn(C)c1=O ZINC000189125412 533926185 /nfs/dbraw/zinc/92/61/85/533926185.db2.gz PSIFZAXONMSIPV-SECBINFHSA-N 0 0 341.289 2.205 40 0 EEABRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000248547380 519806814 /nfs/dbraw/zinc/80/68/14/519806814.db2.gz FDVJTDQUPCYHDZ-RYRKJORJSA-N 0 0 348.443 2.430 40 0 EEABRN O=C1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7OC(=O)[C@@H]([C@H]5[C@H]67)[C@H]1[C@@H]4[C@@H]32 ZINC000104285490 534821005 /nfs/dbraw/zinc/82/10/05/534821005.db2.gz ARFRDYHVQQQLHV-ZVYRLYISSA-N 0 0 328.408 2.408 40 0 EEABRN O=C(NC[C@@H](O)c1cccs1)c1ccc(CN2CCOCC2)cc1 ZINC000077615940 526490742 /nfs/dbraw/zinc/49/07/42/526490742.db2.gz SBTLNUUNGPVXFG-MRXNPFEDSA-N 0 0 346.452 2.044 40 0 EEABRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000187634601 528961800 /nfs/dbraw/zinc/96/18/00/528961800.db2.gz DPXHURFFLTVJLS-WMLDXEAASA-N 0 0 338.492 2.327 40 0 EEABRN CC1(C)[C@H](OC(=O)c2cn(Cc3cccc(F)c3)nn2)[C@H]2CCO[C@H]21 ZINC000230128124 535093263 /nfs/dbraw/zinc/09/32/63/535093263.db2.gz VCOWYBYMEROAQN-NUEKZKHPSA-N 0 0 345.374 2.436 40 0 EEABRN CCCOCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC ZINC000224708907 535235407 /nfs/dbraw/zinc/23/54/07/535235407.db2.gz XOYGDBUQYZSYJD-UHFFFAOYSA-N 0 0 348.443 2.349 40 0 EEABRN CCn1cc(CN2CC3(C2)CO[C@H](Cc2cccnc2)C3)c(C)n1 ZINC000257231194 536050179 /nfs/dbraw/zinc/05/01/79/536050179.db2.gz GFRQNDBPBPWLKG-GOSISDBHSA-N 0 0 326.444 2.440 40 0 EEABRN CN(C)Cc1cncc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257278275 536059457 /nfs/dbraw/zinc/05/94/57/536059457.db2.gz OBOGJYQRJMMVSH-KRWDZBQOSA-N 0 0 346.475 2.287 40 0 EEABRN COc1ccccc1N1CCN([C@@H](C)c2nnnn2C(C)(C)C)CC1 ZINC000035292082 537069282 /nfs/dbraw/zinc/06/92/82/537069282.db2.gz KKRZSOYQXMMXIH-AWEZNQCLSA-N 0 0 344.463 2.320 40 0 EEABRN COc1ccc2nc(CNc3n[nH]cc3C(=O)N(C)C)sc2c1 ZINC000902661408 1238153431 /nfs/dbraw/zinc/15/34/31/1238153431.db2.gz WMKSJLCBSSWOMS-UHFFFAOYSA-N 0 0 331.401 2.342 40 0 EEABRN Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C3COC3)C[C@@H]1CCO2 ZINC001534646505 1123376609 /nfs/dbraw/zinc/37/66/09/1123376609.db2.gz MLXRWSYDQJCJAB-GJZGRUSLSA-N 0 0 330.428 2.443 40 0 EEABRN O=C(NCC1CCCCC1)[C@H]1CCCN1Cc1[nH]nc2c1COCC2 ZINC001548453227 1124294705 /nfs/dbraw/zinc/29/47/05/1124294705.db2.gz OBVLZQPBZAKZJH-GOSISDBHSA-N 0 0 346.475 2.143 40 0 EEABRN O=C(CN1CC[C@@](F)(c2cc(F)cc(F)c2)C1)Nc1cccnn1 ZINC001548453593 1124295679 /nfs/dbraw/zinc/29/56/79/1124295679.db2.gz SBHPWBPTGSVXOE-INIZCTEOSA-N 0 0 336.317 2.264 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1F ZINC000057355086 214422194 /nfs/dbraw/zinc/42/21/94/214422194.db2.gz RKARVRCYNPYPBT-CRAIPNDOSA-N 0 0 341.386 2.447 40 0 EEABRN COc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)nn1 ZINC000061977988 214690578 /nfs/dbraw/zinc/69/05/78/214690578.db2.gz JGDCHWBPCNLBAL-UHFFFAOYSA-N 0 0 327.262 2.314 40 0 EEABRN CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1ccc(OC)cc1 ZINC000012276047 201835141 /nfs/dbraw/zinc/83/51/41/201835141.db2.gz XQAXNZQBSZOYTI-ZENOOKHLSA-N 0 0 325.430 2.277 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000179620234 233243597 /nfs/dbraw/zinc/24/35/97/233243597.db2.gz KQFUGBBTKJXQTJ-OAHLLOKOSA-N 0 0 347.440 2.457 40 0 EEABRN O=C(Cn1cccnc1=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019399680 202007372 /nfs/dbraw/zinc/00/73/72/202007372.db2.gz AMIVHNLPCIBWAJ-QGZVFWFLSA-N 0 0 348.406 2.198 40 0 EEABRN CCC(CC)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500184 202008533 /nfs/dbraw/zinc/00/85/33/202008533.db2.gz AROAPEYZAGJOIR-QGZVFWFLSA-N 0 0 344.459 2.481 40 0 EEABRN CCc1cc(CNC(=O)CCc2nc3ccccc3nc2OC)on1 ZINC000019522800 202009896 /nfs/dbraw/zinc/00/98/96/202009896.db2.gz HBPDHVGFNOGUTQ-UHFFFAOYSA-N 0 0 340.383 2.438 40 0 EEABRN Cc1nn(C)cc1CN1[C@@H]2CC[C@H]1Cc1nc(N3CCCC3)ncc12 ZINC000019583726 202013162 /nfs/dbraw/zinc/01/31/62/202013162.db2.gz YQYQITPHOGJLDL-MAUKXSAKSA-N 0 0 338.459 2.381 40 0 EEABRN CN(Cc1ccc(/C=C/C(=O)NC2CCCCC2)o1)S(C)(=O)=O ZINC000020449805 202042625 /nfs/dbraw/zinc/04/26/25/202042625.db2.gz MZDFYEHKXUXWJJ-ZHACJKMWSA-N 0 0 340.445 2.133 40 0 EEABRN Cc1nc2c(s1)n(CC(=O)NC(C)C)c(=O)nc2-c1cccs1 ZINC000032616334 202229331 /nfs/dbraw/zinc/22/93/31/202229331.db2.gz GJOSBORRMCFQGM-UHFFFAOYSA-N 0 0 348.453 2.415 40 0 EEABRN O=C([O-])[C@@H](Cc1ccc(I)cc1)[NH+]1CCCC1 ZINC000225144586 295985970 /nfs/dbraw/zinc/98/59/70/295985970.db2.gz GFFIOAUHECAZSE-GFCCVEGCSA-N 0 0 345.180 2.383 40 0 EEABRN CC(C)c1cc(C(=O)NCCNC(=O)c2ccc(F)cc2F)on1 ZINC000070813119 202337339 /nfs/dbraw/zinc/33/73/39/202337339.db2.gz VYNFAAILRQJVLC-UHFFFAOYSA-N 0 0 337.326 2.236 40 0 EEABRN COCCNC(=O)NCC1CCN(c2nc3ccccc3s2)CC1 ZINC000070931866 202338327 /nfs/dbraw/zinc/33/83/27/202338327.db2.gz SSQREHFRONFRJP-UHFFFAOYSA-N 0 0 348.472 2.458 40 0 EEABRN CC[C@@H](CN1CCOCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000036741458 202331252 /nfs/dbraw/zinc/33/12/52/202331252.db2.gz FOJWXTUOXVYOTB-IBGZPJMESA-N 0 0 330.472 2.335 40 0 EEABRN O=C(NCC[S@@](=O)c1ccccc1)c1cccc(-c2ncon2)c1 ZINC000073516542 202369405 /nfs/dbraw/zinc/36/94/05/202369405.db2.gz GMJQTFSWMKSSMZ-DEOSSOPVSA-N 0 0 341.392 2.274 40 0 EEABRN CC[C@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000072528495 202364266 /nfs/dbraw/zinc/36/42/66/202364266.db2.gz ORSIBWOWUXRUBD-DZGCQCFKSA-N 0 0 336.457 2.485 40 0 EEABRN CCSc1nnc(NC(=O)c2ccc(N3CCCC3)nn2)s1 ZINC000075172579 202371512 /nfs/dbraw/zinc/37/15/12/202371512.db2.gz MVYFZIGCYXWMKY-UHFFFAOYSA-N 0 0 336.446 2.293 40 0 EEABRN CCCN(CC(=O)NC)C(=O)CCc1cc(Br)cs1 ZINC000078655953 202399067 /nfs/dbraw/zinc/39/90/67/202399067.db2.gz HDOLSVKLQHSYPN-UHFFFAOYSA-N 0 0 347.278 2.428 40 0 EEABRN CC(C)=CC(=O)NCc1ccc(C(=O)OCc2cnn(C)c2)cc1 ZINC000076871738 202388402 /nfs/dbraw/zinc/38/84/02/202388402.db2.gz WBHOJWVLTYANQM-UHFFFAOYSA-N 0 0 327.384 2.360 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[C@H](C)C2)ccc1=O ZINC000077768641 202392477 /nfs/dbraw/zinc/39/24/77/202392477.db2.gz NMEQODKMLCOBRI-KBPBESRZSA-N 0 0 333.432 2.139 40 0 EEABRN CCS[C@H]1CCCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000078987451 202413807 /nfs/dbraw/zinc/41/38/07/202413807.db2.gz KFVCOXASMFJOPO-ZDUSSCGKSA-N 0 0 333.519 2.478 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)CC2)no1 ZINC000039519448 202413923 /nfs/dbraw/zinc/41/39/23/202413923.db2.gz RTGWKPCZOVBDMV-HFTRVMKXSA-N 0 0 348.491 2.042 40 0 EEABRN CC(C)C(=O)Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387784 202436293 /nfs/dbraw/zinc/43/62/93/202436293.db2.gz DZGNCTIGPYLPGN-UHFFFAOYSA-N 0 0 347.378 2.437 40 0 EEABRN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H](c2ccsc2)O1 ZINC000190937820 238811970 /nfs/dbraw/zinc/81/19/70/238811970.db2.gz FIWURYZEYXMBLC-MWLCHTKSSA-N 0 0 347.366 2.259 40 0 EEABRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(OC)c1 ZINC000245224724 201151890 /nfs/dbraw/zinc/15/18/90/201151890.db2.gz CJWCFCJZCQSCLW-XKQJLSEDSA-N 0 0 346.427 2.440 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000245343887 201152290 /nfs/dbraw/zinc/15/22/90/201152290.db2.gz WHBZJIXZKITJKT-QEORTHHSSA-N 0 0 344.415 2.108 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCO1 ZINC000245281306 201152600 /nfs/dbraw/zinc/15/26/00/201152600.db2.gz AOERMZUITSWXBW-BXUZGUMPSA-N 0 0 326.343 2.162 40 0 EEABRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000267492861 201222906 /nfs/dbraw/zinc/22/29/06/201222906.db2.gz WLGRKFKNDXPDJV-BETUJISGSA-N 0 0 349.431 2.428 40 0 EEABRN Cc1ccc(-c2cc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n[nH]2)s1 ZINC000299633646 201355341 /nfs/dbraw/zinc/35/53/41/201355341.db2.gz ODPNAAYFQVTOQX-JTQLQIEISA-N 0 0 339.442 2.210 40 0 EEABRN Cc1nn(C)c(C)c1CCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000044895974 202532428 /nfs/dbraw/zinc/53/24/28/202532428.db2.gz FIWUDMOAANHFKX-UHFFFAOYSA-N 0 0 337.427 2.472 40 0 EEABRN CC(C)N(CC1CCC1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000193843295 240333527 /nfs/dbraw/zinc/33/35/27/240333527.db2.gz GXHKJHCHUHMGTG-HNNXBMFYSA-N 0 0 347.463 2.136 40 0 EEABRN Cc1ccccc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 ZINC000022273823 212287831 /nfs/dbraw/zinc/28/78/31/212287831.db2.gz JGJSXMJHMISXRD-UHFFFAOYSA-N 0 0 332.425 2.279 40 0 EEABRN CCOC(=O)c1cnn(C)c1NC(=O)C(Cl)=C(Cl)Cl ZINC000000159969 201442244 /nfs/dbraw/zinc/44/22/44/201442244.db2.gz XEBPRFNLMGUDGV-UHFFFAOYSA-N 0 0 326.567 2.421 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1ccc[nH]1 ZINC000195552683 241000756 /nfs/dbraw/zinc/00/07/56/241000756.db2.gz SMILDZOBHQDBPN-CYBMUJFWSA-N 0 0 327.384 2.112 40 0 EEABRN Cc1ccc(NC(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC000001371928 201503198 /nfs/dbraw/zinc/50/31/98/201503198.db2.gz XDXUAAQLRAGWRE-UHFFFAOYSA-N 0 0 346.431 2.033 40 0 EEABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1 ZINC000223123945 241604312 /nfs/dbraw/zinc/60/43/12/241604312.db2.gz QCJGSZKXJDCYNJ-UHFFFAOYSA-N 0 0 344.502 2.191 40 0 EEABRN CCOC(=O)Cc1csc(SC[C@H]2CCCS(=O)(=O)C2)n1 ZINC000225437953 241861643 /nfs/dbraw/zinc/86/16/43/241861643.db2.gz GIUXTAAWNJDYJJ-SNVBAGLBSA-N 0 0 349.499 2.166 40 0 EEABRN CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nn1 ZINC000225444643 241865722 /nfs/dbraw/zinc/86/57/22/241865722.db2.gz RVABXWZZHNZGED-LBPRGKRZSA-N 0 0 348.353 2.114 40 0 EEABRN CCN(CC)C(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000225934305 242079550 /nfs/dbraw/zinc/07/95/50/242079550.db2.gz CWYYILKSDZDFKV-UHFFFAOYSA-N 0 0 326.462 2.182 40 0 EEABRN C[C@@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@@H](C2CC2)O1 ZINC000241965723 243007400 /nfs/dbraw/zinc/00/74/00/243007400.db2.gz UVCNMZXOVZXIGN-WBMJQRKESA-N 0 0 330.432 2.105 40 0 EEABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)(C)C)cc1 ZINC000006314120 201678508 /nfs/dbraw/zinc/67/85/08/201678508.db2.gz OHUHBULMDRQGOS-UHFFFAOYSA-N 0 0 342.461 2.011 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N3CCOC[C@@H]3C3CC3)nc12 ZINC000089903860 202803623 /nfs/dbraw/zinc/80/36/23/202803623.db2.gz CQLVURPAADGTIR-MRXNPFEDSA-N 0 0 328.416 2.006 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)o1 ZINC000247906353 243478820 /nfs/dbraw/zinc/47/88/20/243478820.db2.gz KETPECMOHMMZPU-MRXNPFEDSA-N 0 0 349.427 2.405 40 0 EEABRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)[C@H]1CCCc2cccnc21 ZINC000252500432 243822325 /nfs/dbraw/zinc/82/23/25/243822325.db2.gz SVQIWZYVVQBUFO-AWEZNQCLSA-N 0 0 338.473 2.173 40 0 EEABRN Cc1cc(CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1C ZINC000253407236 243913967 /nfs/dbraw/zinc/91/39/67/243913967.db2.gz VTRSYCXXAJRXNI-UHFFFAOYSA-N 0 0 347.362 2.268 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257205119 244130638 /nfs/dbraw/zinc/13/06/38/244130638.db2.gz AXTCICSLRJZGFK-CYBMUJFWSA-N 0 0 325.372 2.285 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)n1 ZINC000257199589 244115069 /nfs/dbraw/zinc/11/50/69/244115069.db2.gz AAARUCHBSREANT-ZDUSSCGKSA-N 0 0 329.404 2.240 40 0 EEABRN Cc1cccnc1C(=O)N1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257204160 244127907 /nfs/dbraw/zinc/12/79/07/244127907.db2.gz ATHHDWHDUPDISP-UHFFFAOYSA-N 0 0 337.383 2.158 40 0 EEABRN CN(C)c1nccnc1[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 ZINC000257217267 244171790 /nfs/dbraw/zinc/17/17/90/244171790.db2.gz CYGRXNJHGMSIEU-FDMDGMSGSA-N 0 0 338.411 2.156 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257225200 244199070 /nfs/dbraw/zinc/19/90/70/244199070.db2.gz FFGZKMKBFHZISF-CYBMUJFWSA-N 0 0 347.382 2.249 40 0 EEABRN CC(C)n1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000257231519 244213621 /nfs/dbraw/zinc/21/36/21/244213621.db2.gz GHCLVGQSGPZKCP-UHFFFAOYSA-N 0 0 349.460 2.060 40 0 EEABRN Cc1nc(Nc2ccc(F)cc2)cc([C@@H]2CCN2S(C)(=O)=O)n1 ZINC000072387177 203211993 /nfs/dbraw/zinc/21/19/93/203211993.db2.gz ABVRQNLUNOTICU-AWEZNQCLSA-N 0 0 336.392 2.374 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)n1 ZINC000257234973 244226061 /nfs/dbraw/zinc/22/60/61/244226061.db2.gz GVVQPQOEISPLGO-CQSZACIVSA-N 0 0 328.416 2.466 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)n1 ZINC000257235779 244228236 /nfs/dbraw/zinc/22/82/36/244228236.db2.gz GZJYMLRCJIVDOJ-AWEZNQCLSA-N 0 0 325.416 2.247 40 0 EEABRN O=C(Cc1ccccc1F)NCCn1nc2c(cc1=O)CCCCC2 ZINC000072343174 203203607 /nfs/dbraw/zinc/20/36/07/203203607.db2.gz XBBPYEVGIUPQGP-UHFFFAOYSA-N 0 0 343.402 2.010 40 0 EEABRN NC(=O)CN1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072361843 203205826 /nfs/dbraw/zinc/20/58/26/203205826.db2.gz BWCOTFZXTAHFJS-UHFFFAOYSA-N 0 0 330.363 2.073 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2nccnc2-c2cccc(CO)c2)C1 ZINC000072365865 203206986 /nfs/dbraw/zinc/20/69/86/203206986.db2.gz AHBOUMQNWSAHID-OAHLLOKOSA-N 0 0 325.412 2.437 40 0 EEABRN COCC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(C)=O ZINC000257248199 244264265 /nfs/dbraw/zinc/26/42/65/244264265.db2.gz JCPRAXPNJIXIPZ-OKZBNKHCSA-N 0 0 330.428 2.376 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@H]2CCCN(c3ncccn3)C2)n1C ZINC000257248361 244264340 /nfs/dbraw/zinc/26/43/40/244264340.db2.gz JDICRAUTZNCXBT-OAHLLOKOSA-N 0 0 349.442 2.435 40 0 EEABRN COCCNC(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000072396903 203212849 /nfs/dbraw/zinc/21/28/49/203212849.db2.gz LWHZBSSMOCHWIU-UHFFFAOYSA-N 0 0 347.440 2.023 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253724 244276333 /nfs/dbraw/zinc/27/63/33/244276333.db2.gz JZZVXJLYOWHYGU-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN Cn1cncc1-c1cncc(C[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000257258237 244286980 /nfs/dbraw/zinc/28/69/80/244286980.db2.gz KSYAVQDFIJITAW-AWEZNQCLSA-N 0 0 335.415 2.126 40 0 EEABRN C[C@]1(O)CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257258169 244288249 /nfs/dbraw/zinc/28/82/49/244288249.db2.gz KSQPXNBUCRGCMT-HOCLYGCPSA-N 0 0 336.388 2.327 40 0 EEABRN C[C@@H](NC(N)=O)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000040488654 203254217 /nfs/dbraw/zinc/25/42/17/203254217.db2.gz PFVCAFULICJIEA-LLVKDONJSA-N 0 0 341.371 2.326 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257268279 244366816 /nfs/dbraw/zinc/36/68/16/244366816.db2.gz MKZKXWHUOFLOBB-HNNXBMFYSA-N 0 0 336.399 2.287 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2CCOc2ccccc2)n1 ZINC000257270187 244373381 /nfs/dbraw/zinc/37/33/81/244373381.db2.gz MTCHNYQXTHBDKK-MRXNPFEDSA-N 0 0 328.416 2.279 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)nc(C)n1 ZINC000257274757 244389248 /nfs/dbraw/zinc/38/92/48/244389248.db2.gz NMMSKHPQDNFCKD-QGZVFWFLSA-N 0 0 345.374 2.211 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cc(F)ccc2C)CC[C@]12CCCO2 ZINC000257277098 244393851 /nfs/dbraw/zinc/39/38/51/244393851.db2.gz NWJMCZZZILQDCB-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2cc(F)ccc2C)CC[C@@]12CCCO2 ZINC000257277099 244393964 /nfs/dbraw/zinc/39/39/64/244393964.db2.gz NWJMCZZZILQDCB-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107291 203834915 /nfs/dbraw/zinc/83/49/15/203834915.db2.gz XCHYVGJHHUXJFI-AEFFLSMTSA-N 0 0 343.383 2.050 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1F ZINC000096045370 203803825 /nfs/dbraw/zinc/80/38/25/203803825.db2.gz CXJMNHCCTXSVNX-MRXNPFEDSA-N 0 0 344.390 2.213 40 0 EEABRN Cc1ccc(CN2CCn3c(Cn4cncn4)cnc3[C@@H]2C)s1 ZINC000096062088 203815947 /nfs/dbraw/zinc/81/59/47/203815947.db2.gz IRVQPPWBFPFNKG-ZDUSSCGKSA-N 0 0 328.445 2.470 40 0 EEABRN O=C([C@@H]1CCC2(CCN(Cc3nccs3)CC2)O1)N1CCCC1 ZINC000096061231 203817047 /nfs/dbraw/zinc/81/70/47/203817047.db2.gz FGFIOTBDZMYTOG-AWEZNQCLSA-N 0 0 335.473 2.279 40 0 EEABRN Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245308 203882270 /nfs/dbraw/zinc/88/22/70/203882270.db2.gz RJCQOFRCCPQZLQ-PBHICJAKSA-N 0 0 342.370 2.458 40 0 EEABRN CCn1nc(C)c2c1cnn2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000041123466 204007765 /nfs/dbraw/zinc/00/77/65/204007765.db2.gz XFHXAXNEJAIOGE-UHFFFAOYSA-N 0 0 344.371 2.275 40 0 EEABRN COCCN1CCCC2(CCN(C(=O)c3occc3C)CC2)C1=O ZINC000108535639 204267899 /nfs/dbraw/zinc/26/78/99/204267899.db2.gz XYCSQNGLAAVIRY-UHFFFAOYSA-N 0 0 334.416 2.079 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCC2)cc1 ZINC000019173901 212002816 /nfs/dbraw/zinc/00/28/16/212002816.db2.gz NYWQFJSDQGJQNU-UHFFFAOYSA-N 0 0 338.473 2.366 40 0 EEABRN CCN(C(=O)N[C@H](C)c1ccc(F)cc1)[C@H](C)CS(C)(=O)=O ZINC000079035926 217178815 /nfs/dbraw/zinc/17/88/15/217178815.db2.gz CRNBTOLNYLDKAU-VXGBXAGGSA-N 0 0 330.425 2.351 40 0 EEABRN CCOC[C@@H]1CCCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000079305998 217205904 /nfs/dbraw/zinc/20/59/04/217205904.db2.gz QWCNHSDCTICTJC-OAHLLOKOSA-N 0 0 334.464 2.220 40 0 EEABRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000132822755 205343881 /nfs/dbraw/zinc/34/38/81/205343881.db2.gz RXHSTQZXGDKPGZ-JTQLQIEISA-N 0 0 336.363 2.123 40 0 EEABRN C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000136245020 205497142 /nfs/dbraw/zinc/49/71/42/205497142.db2.gz GYBKLVDJMRPCBY-VBNZEHGJSA-N 0 0 344.386 2.344 40 0 EEABRN C[C@@H](OCC1CC1)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000096406384 296205754 /nfs/dbraw/zinc/20/57/54/296205754.db2.gz IGACYICXMXLLQD-ABAIWWIYSA-N 0 0 326.387 2.499 40 0 EEABRN CCC(=O)OCCc1c(C)[nH]c2nc(-c3ccc(C)cc3)nn2c1=O ZINC000100486540 206244691 /nfs/dbraw/zinc/24/46/91/206244691.db2.gz PHVIJEPFHXXSHN-UHFFFAOYSA-N 0 0 340.383 2.197 40 0 EEABRN O=C(c1cccs1)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240897 296268232 /nfs/dbraw/zinc/26/82/32/296268232.db2.gz XHATXDKMEQDYAT-CQSZACIVSA-N 0 0 348.468 2.239 40 0 EEABRN CN(C)c1cccc(CNC(=O)NC[C@@H]2OCCc3sccc32)n1 ZINC000095437609 218380212 /nfs/dbraw/zinc/38/02/12/218380212.db2.gz PBVPLVGWPQLGRB-AWEZNQCLSA-N 0 0 346.456 2.322 40 0 EEABRN CN1c2ccccc2N(C(=O)c2cccc(-n3ccnn3)c2)CCC1=O ZINC000095439551 218383576 /nfs/dbraw/zinc/38/35/76/218383576.db2.gz ICHWRNKGGGWBMK-UHFFFAOYSA-N 0 0 347.378 2.281 40 0 EEABRN C[C@@H](NC(=O)C1CCC1)C(=O)NCCNc1nc2ccccc2s1 ZINC000095469671 218407030 /nfs/dbraw/zinc/40/70/30/218407030.db2.gz DVYRZDPXYVEXGT-LLVKDONJSA-N 0 0 346.456 2.129 40 0 EEABRN CCOC(=O)C1CCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)CC1 ZINC000096192737 218662187 /nfs/dbraw/zinc/66/21/87/218662187.db2.gz GOZOKPMZRJQWFU-IBGZPJMESA-N 0 0 344.411 2.371 40 0 EEABRN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1cccnc1N(C)C ZINC000175777933 207159107 /nfs/dbraw/zinc/15/91/07/207159107.db2.gz ZAWLXCPLRJIFGI-INIZCTEOSA-N 0 0 342.447 2.027 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc(Br)c1 ZINC000096412814 218769363 /nfs/dbraw/zinc/76/93/63/218769363.db2.gz QIZKRCPCPSNZLX-NXEZZACHSA-N 0 0 346.246 2.097 40 0 EEABRN CCc1nc(C)ncc1C(=O)N1CCN(C(=O)CCC(C)C)CC1 ZINC000096411202 218766336 /nfs/dbraw/zinc/76/63/36/218766336.db2.gz GQDDJXRUPSIOBC-UHFFFAOYSA-N 0 0 332.448 2.068 40 0 EEABRN COCC(=O)N[C@H](C(=O)NC1CCC(C(F)(F)F)CC1)C(C)C ZINC000096420633 218785122 /nfs/dbraw/zinc/78/51/22/218785122.db2.gz REKUGVOCZFIGJH-XIVSLSHWSA-N 0 0 338.370 2.011 40 0 EEABRN CN(C)C(=O)c1cccc(CCNC(=O)Cc2cccc(F)c2)c1 ZINC000096423161 218790122 /nfs/dbraw/zinc/79/01/22/218790122.db2.gz KVUXLGXOTMIVEN-UHFFFAOYSA-N 0 0 328.387 2.429 40 0 EEABRN C[C@H](NS(=O)(=O)c1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000096436441 218815643 /nfs/dbraw/zinc/81/56/43/218815643.db2.gz PZKIIXBAMQLQKE-ZDUSSCGKSA-N 0 0 328.397 2.307 40 0 EEABRN COCC[C@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437043 218817603 /nfs/dbraw/zinc/81/76/03/218817603.db2.gz UNABEPSGZUYYMQ-QPUJVOFHSA-N 0 0 333.201 2.129 40 0 EEABRN COC(=O)C1(CNC(=O)N2CCC[C@@H]2c2ccco2)CCOCC1 ZINC000181786860 533198899 /nfs/dbraw/zinc/19/88/99/533198899.db2.gz PGECFUYITZSCGT-CYBMUJFWSA-N 0 0 336.388 2.096 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)C[C@H](C)O1 ZINC000252506403 257999609 /nfs/dbraw/zinc/99/96/09/257999609.db2.gz SKZIIOCBFKNQSF-RGFKIIKPSA-N 0 0 348.418 2.371 40 0 EEABRN Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000072241409 291960877 /nfs/dbraw/zinc/96/08/77/291960877.db2.gz VVPNSEKATAYYIN-LSDHHAIUSA-N 0 0 349.774 2.173 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@@H]3C1)[C@@H](C)C2 ZINC000241231194 292360890 /nfs/dbraw/zinc/36/08/90/292360890.db2.gz KSXWBVBPJOKJTP-KLIQENQMSA-N 0 0 343.471 2.343 40 0 EEABRN CO[C@]1(C)C[C@@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C ZINC000074941326 159071918 /nfs/dbraw/zinc/07/19/18/159071918.db2.gz ZDBGXQULBOENSC-CXAGYDPISA-N 0 0 336.436 2.471 40 0 EEABRN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)nn1 ZINC000189213779 160138008 /nfs/dbraw/zinc/13/80/08/160138008.db2.gz BTPGWRYXSCSRPQ-LLVKDONJSA-N 0 0 349.385 2.320 40 0 EEABRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279025990 269257006 /nfs/dbraw/zinc/25/70/06/269257006.db2.gz VMEDNNFUFAYWCL-LBPRGKRZSA-N 0 0 347.463 2.229 40 0 EEABRN C[C@H]1Cc2cc(S(=O)(=O)N3C[C@H](O)Cc4ccccc43)ccc2O1 ZINC000278556418 274372306 /nfs/dbraw/zinc/37/23/06/274372306.db2.gz BABCOWLRYFDWEG-SWLSCSKDSA-N 0 0 345.420 2.122 40 0 EEABRN O=c1[nH]c2cc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)ccc2o1 ZINC000289007428 275095145 /nfs/dbraw/zinc/09/51/45/275095145.db2.gz DUIOKAPQSQVWSV-SMDDNHRTSA-N 0 0 342.355 2.097 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1ccno1 ZINC000257244644 277005527 /nfs/dbraw/zinc/00/55/27/277005527.db2.gz IMEQRFMEIFUQHL-BRWVUGGUSA-N 0 0 339.395 2.151 40 0 EEABRN COc1ncccc1CN1CCn2cc(C(=O)NC(C)C)nc2[C@@H]1C ZINC000247969133 277487864 /nfs/dbraw/zinc/48/78/64/277487864.db2.gz CQCBCBJBJBPCFO-ZDUSSCGKSA-N 0 0 343.431 2.002 40 0 EEABRN CC(C)NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 ZINC000225887691 277662299 /nfs/dbraw/zinc/66/22/99/277662299.db2.gz NEIGDDDEDRQLNW-UHFFFAOYSA-N 0 0 334.493 2.372 40 0 EEABRN CC(=O)NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000014257688 278078222 /nfs/dbraw/zinc/07/82/22/278078222.db2.gz XYSSAXVNPJZRTM-UHFFFAOYSA-N 0 0 329.360 2.393 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)no1 ZINC000257304478 280336495 /nfs/dbraw/zinc/33/64/95/280336495.db2.gz SLWLASLJMQFUBJ-HOTGVXAUSA-N 0 0 334.347 2.167 40 0 EEABRN Cn1cc(Br)cc(NC(=O)N[C@H]2CC=CCC2)c1=O ZINC000083583427 294199653 /nfs/dbraw/zinc/19/96/53/294199653.db2.gz KIRVYHUPIYWCEY-JTQLQIEISA-N 0 0 326.194 2.378 40 0 EEABRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000096425553 300230550 /nfs/dbraw/zinc/23/05/50/300230550.db2.gz NSRUQDRNEIGFHJ-AWEZNQCLSA-N 0 0 348.406 2.427 40 0 EEABRN Cc1ccccc1[C@@H](O)[C@](Cl)(Br)S(C)(=O)=O ZINC000096519773 302137211 /nfs/dbraw/zinc/13/72/11/302137211.db2.gz ZOYKSIVIHAZIPU-NXEZZACHSA-N 0 0 327.627 2.361 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019582848 302712289 /nfs/dbraw/zinc/71/22/89/302712289.db2.gz KINFNLGDTBHQFJ-HXUWFJFHSA-N 0 0 335.407 2.351 40 0 EEABRN Cn1nnc2ccc(C(=O)N3CCCCC[C@@H]3c3ncon3)cc21 ZINC000195577314 303108060 /nfs/dbraw/zinc/10/80/60/303108060.db2.gz NHOYXXAOWJPLIA-CYBMUJFWSA-N 0 0 326.360 2.109 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)o1 ZINC000180685172 311464425 /nfs/dbraw/zinc/46/44/25/311464425.db2.gz YGIWJOBKEOVURV-IBGZPJMESA-N 0 0 339.347 2.209 40 0 EEABRN CC[C@H](C)Oc1cc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)ccn1 ZINC000332257923 311978658 /nfs/dbraw/zinc/97/86/58/311978658.db2.gz AJCRMFGKYLOPDE-SMDDNHRTSA-N 0 0 346.387 2.164 40 0 EEABRN C[C@@H](C(=O)N1CCOc2cc(Cl)c(Cl)cc21)S(C)(=O)=O ZINC000332683597 312044795 /nfs/dbraw/zinc/04/47/95/312044795.db2.gz ILQCGTGJPWLDMW-ZETCQYMHSA-N 0 0 338.212 2.152 40 0 EEABRN O=C(NCC1(C2CCC2)CCC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000333650306 312177710 /nfs/dbraw/zinc/17/77/10/312177710.db2.gz KHZNBTKWBDICCH-UHFFFAOYSA-N 0 0 333.354 2.330 40 0 EEABRN COCCc1noc(CC2CCN(c3ncc(Cl)cn3)CC2)n1 ZINC000528119260 317322898 /nfs/dbraw/zinc/32/28/98/317322898.db2.gz LETFJDQYBWYRPC-UHFFFAOYSA-N 0 0 337.811 2.161 40 0 EEABRN CC(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000097100129 323320291 /nfs/dbraw/zinc/32/02/91/323320291.db2.gz LBCDYTILBMWZKD-NSHDSACASA-N 0 0 337.729 2.379 40 0 EEABRN COC(=O)[C@@H](c1ccccc1C)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000097094886 323320430 /nfs/dbraw/zinc/32/04/30/323320430.db2.gz VMNYOTVYSQKHCI-IEBWSBKVSA-N 0 0 343.427 2.190 40 0 EEABRN Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3C)[nH]n1 ZINC000097099315 323320575 /nfs/dbraw/zinc/32/05/75/323320575.db2.gz HOEALVJVWGIOBZ-NSHDSACASA-N 0 0 341.415 2.380 40 0 EEABRN CCN(CC)C(=O)[C@H]1CCCN1Cc1nc(N)c2ccccc2n1 ZINC000097370603 323322285 /nfs/dbraw/zinc/32/22/85/323322285.db2.gz DZCIYEWHZJSRRH-OAHLLOKOSA-N 0 0 327.432 2.045 40 0 EEABRN Cn1nccc1CN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000153706686 323330769 /nfs/dbraw/zinc/33/07/69/323330769.db2.gz UKCUUFGBMYMGEW-CYBMUJFWSA-N 0 0 336.321 2.436 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@@](=O)C2CCOCC2)cc1 ZINC000194623207 323501293 /nfs/dbraw/zinc/50/12/93/323501293.db2.gz HQAPTIQIXURHCZ-HSZRJFAPSA-N 0 0 337.485 2.396 40 0 EEABRN O=S(=O)([O-])CCC[N+]1=C(C=CNc2ccccc2)SCC1 ZINC000002512300 462595723 /nfs/dbraw/zinc/59/57/23/462595723.db2.gz DMMOMOLSKPDLPY-UHFFFAOYSA-O 0 0 327.451 2.048 40 0 EEABRN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccncc1)C2 ZINC000085473828 462550429 /nfs/dbraw/zinc/55/04/29/462550429.db2.gz ZJAVFPLTQIPZDP-NSHDSACASA-N 0 0 344.440 2.296 40 0 EEABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CSc2nccc(=O)n2C1 ZINC000085473981 462550691 /nfs/dbraw/zinc/55/06/91/462550691.db2.gz LVCAKZBORVKBAQ-MRVPVSSYSA-N 0 0 339.779 2.396 40 0 EEABRN Cc1ccccc1OCC(=O)NCc1cc(-c2ccccn2)n(C)n1 ZINC000085556605 462552700 /nfs/dbraw/zinc/55/27/00/462552700.db2.gz WECDNJKTJAUDOU-UHFFFAOYSA-N 0 0 336.395 2.486 40 0 EEABRN O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000414628 462560423 /nfs/dbraw/zinc/56/04/23/462560423.db2.gz PKIXVHHXRGHFQS-AWEZNQCLSA-N 0 0 336.457 2.146 40 0 EEABRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@H]1C=C[C@]2(CO)O1 ZINC000001166677 462577945 /nfs/dbraw/zinc/57/79/45/462577945.db2.gz DLLDGCMBIXQKEZ-DCXXXQMHSA-N 0 0 347.370 2.159 40 0 EEABRN CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 ZINC000001568755 462584121 /nfs/dbraw/zinc/58/41/21/462584121.db2.gz OCKYSUJVBBQAAC-UHFFFAOYSA-N 0 0 349.412 2.370 40 0 EEABRN CCCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957468 462618931 /nfs/dbraw/zinc/61/89/31/462618931.db2.gz ZFKBOAJIVRTZQM-SNVBAGLBSA-N 0 0 334.388 2.036 40 0 EEABRN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1C ZINC000003588019 462623445 /nfs/dbraw/zinc/62/34/45/462623445.db2.gz CVIFIEISJWWMHD-LBPRGKRZSA-N 0 0 331.445 2.370 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)CC(=O)N2 ZINC000004944389 462641320 /nfs/dbraw/zinc/64/13/20/462641320.db2.gz BHLSDPDOVDHMNA-NSHDSACASA-N 0 0 331.397 2.365 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@@H](C(C)C)O2 ZINC000004970832 462642826 /nfs/dbraw/zinc/64/28/26/462642826.db2.gz HBSAZEFOCSPEFF-RDTXWAMCSA-N 0 0 346.427 2.040 40 0 EEABRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 ZINC000006206731 462679865 /nfs/dbraw/zinc/67/98/65/462679865.db2.gz CXMYIKQODDNHPW-UHFFFAOYSA-N 0 0 342.351 2.241 40 0 EEABRN CCCN1C(=O)[C@@H]2[C@H](c3ccncc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000006351918 462682735 /nfs/dbraw/zinc/68/27/35/462682735.db2.gz ZXOJBJSXZAKOQH-IKGGRYGDSA-N 0 0 337.379 2.338 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cs1 ZINC000006681281 462696896 /nfs/dbraw/zinc/69/68/96/462696896.db2.gz BVAHFAXIFBEYDV-UHFFFAOYSA-N 0 0 328.390 2.072 40 0 EEABRN COc1cccc(OC)c1-c1noc(CSc2nncn2C)n1 ZINC000008306759 462777356 /nfs/dbraw/zinc/77/73/56/462777356.db2.gz YTDYVWNGOWLWQN-UHFFFAOYSA-N 0 0 333.373 2.175 40 0 EEABRN CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000008476116 462784727 /nfs/dbraw/zinc/78/47/27/462784727.db2.gz KHBJXQIYSUYSJY-GFCCVEGCSA-N 0 0 340.445 2.008 40 0 EEABRN Cn1ccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000090601762 462801449 /nfs/dbraw/zinc/80/14/49/462801449.db2.gz NFWPLJJGRTWKJL-OAHLLOKOSA-N 0 0 344.390 2.159 40 0 EEABRN C[C@H](NC(=O)Cc1ccccc1F)c1nc(-c2cccnc2)n[nH]1 ZINC000012114737 462843049 /nfs/dbraw/zinc/84/30/49/462843049.db2.gz QHUKPLFKMWEJQC-NSHDSACASA-N 0 0 325.347 2.426 40 0 EEABRN CN1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)CC1 ZINC000012221365 462846424 /nfs/dbraw/zinc/84/64/24/462846424.db2.gz JGSQIRLENFOFPW-UHFFFAOYSA-N 0 0 338.390 2.425 40 0 EEABRN CC(=O)c1cc(C(=O)NCCc2nnc(-c3ccncc3)[nH]2)cs1 ZINC000012197295 462846759 /nfs/dbraw/zinc/84/67/59/462846759.db2.gz RZIFCSBDCFRKES-UHFFFAOYSA-N 0 0 341.396 2.103 40 0 EEABRN C[C@H](C(=O)N1CCC[C@H](C)C1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181276 462847458 /nfs/dbraw/zinc/84/74/58/462847458.db2.gz CUPNEKKWCLNRNI-NWDGAFQWSA-N 0 0 346.456 2.374 40 0 EEABRN C[C@H](C(=O)N1CCCCC1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181254 462847506 /nfs/dbraw/zinc/84/75/06/462847506.db2.gz DPESLUXZZWCWKT-LLVKDONJSA-N 0 0 332.429 2.128 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@](C)(CO)[C@]3(C)OC(C)(C)O[C@@]3(C)[C@@]2(C)O1 ZINC000012359043 462851960 /nfs/dbraw/zinc/85/19/60/462851960.db2.gz CYMKALUCKAWBMD-JJTUDDRGSA-N 0 0 330.421 2.326 40 0 EEABRN Nc1nc(-c2ccccn2)cc(-c2cc(-c3ccccn3)nc(N)n2)n1 ZINC000013213316 462886651 /nfs/dbraw/zinc/88/66/51/462886651.db2.gz YTDYCKJGYPJOFU-UHFFFAOYSA-N 0 0 342.366 2.222 40 0 EEABRN Cc1nc(NC(=O)CSc2ccccn2)nc2c1C(=O)CCC2 ZINC000013635910 462897925 /nfs/dbraw/zinc/89/79/25/462897925.db2.gz DIPCOHUITPNPBX-UHFFFAOYSA-N 0 0 328.397 2.430 40 0 EEABRN CCCNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716563 462901985 /nfs/dbraw/zinc/90/19/85/462901985.db2.gz ZDRZBNNBJQJOHH-OAHLLOKOSA-N 0 0 326.462 2.374 40 0 EEABRN CCOC(=O)N1CCN(c2cccc3cc(C(=O)OC)[nH]c32)CC1 ZINC000013999096 462907500 /nfs/dbraw/zinc/90/75/00/462907500.db2.gz NMTLPIUVJZWELU-UHFFFAOYSA-N 0 0 331.372 2.233 40 0 EEABRN Cc1nn(C)c(C)c1S(=O)(=O)NCCc1c[nH]c2ccccc12 ZINC000017068417 462993606 /nfs/dbraw/zinc/99/36/06/462993606.db2.gz UXVPCORSMFCPQX-UHFFFAOYSA-N 0 0 332.429 2.039 40 0 EEABRN Cc1cc(CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)[nH]n1 ZINC000019117443 463014582 /nfs/dbraw/zinc/01/45/82/463014582.db2.gz YJGWORHNZHXJFM-UHFFFAOYSA-N 0 0 342.443 2.351 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000019117718 463014927 /nfs/dbraw/zinc/01/49/27/463014927.db2.gz CDCLYGXXENQJIN-HNNXBMFYSA-N 0 0 341.411 2.448 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)s1 ZINC000134848955 463087923 /nfs/dbraw/zinc/08/79/23/463087923.db2.gz BRUWAYXIEBPWLE-MNOVXSKESA-N 0 0 332.853 2.125 40 0 EEABRN CCOC(=O)Cn1nc(I)c2ccccc21 ZINC000095755518 463109133 /nfs/dbraw/zinc/10/91/33/463109133.db2.gz RRHYEXNYKFKASO-UHFFFAOYSA-N 0 0 330.125 2.204 40 0 EEABRN Cc1cc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(C)[nH]1 ZINC000096041890 463146290 /nfs/dbraw/zinc/14/62/90/463146290.db2.gz ZAQZYWSFZMLRGT-LZLYRXPVSA-N 0 0 341.411 2.478 40 0 EEABRN O=S1(=O)CC[C@H](Cc2nc(Cc3ccccc3Cl)no2)C1 ZINC000078774363 463147723 /nfs/dbraw/zinc/14/77/23/463147723.db2.gz BJIDKPVJIIQSDR-SNVBAGLBSA-N 0 0 326.805 2.291 40 0 EEABRN COc1ccc(C(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042393 463148164 /nfs/dbraw/zinc/14/81/64/463148164.db2.gz DVCNDWWVGSYJNY-KURKYZTESA-N 0 0 331.412 2.494 40 0 EEABRN COC[C@H]1CN(C(=O)Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096045593 463150669 /nfs/dbraw/zinc/15/06/69/463150669.db2.gz XWPFPOIZYLVQFM-CYBMUJFWSA-N 0 0 346.456 2.065 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1nccs1)C2 ZINC000096050212 463153605 /nfs/dbraw/zinc/15/36/05/463153605.db2.gz MYNSTECIPAKSGJ-GOSISDBHSA-N 0 0 342.468 2.066 40 0 EEABRN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)c1 ZINC000096058031 463159421 /nfs/dbraw/zinc/15/94/21/463159421.db2.gz WVFVOBVCAIFAKY-RCCFBDPRSA-N 0 0 331.416 2.315 40 0 EEABRN Cc1nc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)cs1 ZINC000096069715 463166114 /nfs/dbraw/zinc/16/61/14/463166114.db2.gz DBDGTGFSQFEZEO-MRXNPFEDSA-N 0 0 342.468 2.485 40 0 EEABRN COC(=O)c1ccc(NC(=O)[C@H](C)n2ccnc2)c(OC(F)F)c1 ZINC000078918994 463166536 /nfs/dbraw/zinc/16/65/36/463166536.db2.gz TYTIWDBONNHOKO-VIFPVBQESA-N 0 0 339.298 2.471 40 0 EEABRN Cn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)nn1 ZINC000096098417 463171804 /nfs/dbraw/zinc/17/18/04/463171804.db2.gz GXUAMOKDTPDWDC-UHFFFAOYSA-N 0 0 339.399 2.147 40 0 EEABRN CO[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1C ZINC000096105116 463173870 /nfs/dbraw/zinc/17/38/70/463173870.db2.gz XDZFBJVBCRCQMQ-OAHLLOKOSA-N 0 0 337.445 2.011 40 0 EEABRN Cc1cc(C)n(-c2cncc(NCC(=O)NC3CCCCC3)n2)n1 ZINC000078979740 463173900 /nfs/dbraw/zinc/17/39/00/463173900.db2.gz SDRFNPKZFUHKMF-UHFFFAOYSA-N 0 0 328.420 2.140 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC000096111003 463180114 /nfs/dbraw/zinc/18/01/14/463180114.db2.gz CWSLXPPQRKIEGL-IEBWSBKVSA-N 0 0 330.428 2.377 40 0 EEABRN Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1 ZINC000096120779 463182321 /nfs/dbraw/zinc/18/23/21/463182321.db2.gz UFOVRCLASVXEGS-UHFFFAOYSA-N 0 0 328.391 2.383 40 0 EEABRN CNC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1F ZINC000079044925 463182922 /nfs/dbraw/zinc/18/29/22/463182922.db2.gz WFYOWDNZOGMYDX-KRWDZBQOSA-N 0 0 343.402 2.297 40 0 EEABRN CC(=O)N[C@H](C)C(=O)N(Cc1ccccn1)Cc1ccccc1C ZINC000079047072 463182967 /nfs/dbraw/zinc/18/29/67/463182967.db2.gz PDIVOVFESNZASA-OAHLLOKOSA-N 0 0 325.412 2.443 40 0 EEABRN Cc1ccc2cnn(CCC(=O)N[C@H](CO)Cc3ccccc3)c2c1 ZINC000096180999 463193607 /nfs/dbraw/zinc/19/36/07/463193607.db2.gz SLXCTPBTJNSFEU-SFHVURJKSA-N 0 0 337.423 2.455 40 0 EEABRN O=C(COCc1nc(-c2cccnc2)no1)Nc1cccc(F)c1 ZINC000096182521 463194599 /nfs/dbraw/zinc/19/45/99/463194599.db2.gz AARMUSLBOLWYDM-UHFFFAOYSA-N 0 0 328.303 2.426 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096183992 463196057 /nfs/dbraw/zinc/19/60/57/463196057.db2.gz MQWOUVJSJZFMKL-CABCVRRESA-N 0 0 327.409 2.159 40 0 EEABRN Cc1cnc(C(=O)N2CCc3ncnc(-c4ccoc4)c3CC2)cn1 ZINC000096187625 463199389 /nfs/dbraw/zinc/19/93/89/463199389.db2.gz GZRXSXSVWYVYRT-UHFFFAOYSA-N 0 0 335.367 2.076 40 0 EEABRN Cc1cccc(C(=O)N2Cc3cnn(C)c3[C@H](COCC3CC3)C2)n1 ZINC000096198295 463204563 /nfs/dbraw/zinc/20/45/63/463204563.db2.gz ITNGJPYWZOJTAU-INIZCTEOSA-N 0 0 340.427 2.290 40 0 EEABRN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)o1 ZINC000096199947 463205494 /nfs/dbraw/zinc/20/54/94/463205494.db2.gz JCWWKNYANRKFPF-HNNXBMFYSA-N 0 0 339.395 2.262 40 0 EEABRN O=C(Cc1ccccn1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096209582 463213293 /nfs/dbraw/zinc/21/32/93/463213293.db2.gz RQJNJQUWXOWPEG-MJGOQNOKSA-N 0 0 330.428 2.201 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC[C@@H](OC)[C@H]3OCC[C@@H]32)cc1 ZINC000096209752 463214310 /nfs/dbraw/zinc/21/43/10/463214310.db2.gz OCXCCGBWVRQKOR-SCTDSRPQSA-N 0 0 333.428 2.423 40 0 EEABRN CN(C)C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC000096239658 463224407 /nfs/dbraw/zinc/22/44/07/463224407.db2.gz BDECLMFSMCKCSO-HNNXBMFYSA-N 0 0 342.365 2.440 40 0 EEABRN COc1cccc(N2C[C@@]3(CCN(C(=O)NC(C)C)C3)CC2=O)c1 ZINC000096238943 463224807 /nfs/dbraw/zinc/22/48/07/463224807.db2.gz LNFXPPHCBOATNQ-SFHVURJKSA-N 0 0 331.416 2.242 40 0 EEABRN Cc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccco2)c1 ZINC000096248744 463227444 /nfs/dbraw/zinc/22/74/44/463227444.db2.gz VFLAUMJJESQNRP-AEFFLSMTSA-N 0 0 326.396 2.313 40 0 EEABRN CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC000096252387 463228444 /nfs/dbraw/zinc/22/84/44/463228444.db2.gz MWLBGDHOQBKPLL-NNQSOWQGSA-N 0 0 335.473 2.046 40 0 EEABRN O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000096405511 463239238 /nfs/dbraw/zinc/23/92/38/463239238.db2.gz WJXPTWUCRUSJHV-UKRRQHHQSA-N 0 0 345.374 2.500 40 0 EEABRN C[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(C(N)=O)c1 ZINC000096404368 463239359 /nfs/dbraw/zinc/23/93/59/463239359.db2.gz UTWIKRNTAHBQOH-RZFZLAGVSA-N 0 0 344.436 2.086 40 0 EEABRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c2c(=O)[nH]n(C)c2n1 ZINC000096405494 463239709 /nfs/dbraw/zinc/23/97/09/463239709.db2.gz GXUBZSUTPSBVGJ-UONOGXRCSA-N 0 0 336.395 2.104 40 0 EEABRN COC(=O)Cn1ncc2c1ncnc2N[C@H]1c2ccccc2C[C@H]1C ZINC000096408677 463241623 /nfs/dbraw/zinc/24/16/23/463241623.db2.gz RNKVSEUHGOLACA-BDJLRTHQSA-N 0 0 337.383 2.345 40 0 EEABRN CCC(=O)N[C@@H]1CCCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000096411826 463244931 /nfs/dbraw/zinc/24/49/31/463244931.db2.gz DGOBNVXYPZEVQK-OAHLLOKOSA-N 0 0 341.411 2.401 40 0 EEABRN CCN1C[C@H](COC(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1=O ZINC000096416228 463248534 /nfs/dbraw/zinc/24/85/34/463248534.db2.gz BZGZNZNKAHQXOO-CYBMUJFWSA-N 0 0 345.374 2.345 40 0 EEABRN O=C1[C@@H](N2CCC[C@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1 ZINC000096417419 463249551 /nfs/dbraw/zinc/24/95/51/463249551.db2.gz VPPCZWGEGWIEJJ-HOTGVXAUSA-N 0 0 345.834 2.374 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)c1cnn(C)c1C(F)F ZINC000096418360 463250280 /nfs/dbraw/zinc/25/02/80/463250280.db2.gz TUIWKCBSZKCIQN-UHFFFAOYSA-N 0 0 347.329 2.148 40 0 EEABRN Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)[C@@H](C)[C@@H]3C)c2n1 ZINC000096420855 463251389 /nfs/dbraw/zinc/25/13/89/463251389.db2.gz HOLDLECIQQGMGK-STQMWFEESA-N 0 0 332.425 2.191 40 0 EEABRN CN(C)C(=O)CCNC(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000096422032 463252712 /nfs/dbraw/zinc/25/27/12/463252712.db2.gz HKVGPAPRTZTOSG-UHFFFAOYSA-N 0 0 335.795 2.126 40 0 EEABRN O=C(Cn1cccn1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000096423098 463253584 /nfs/dbraw/zinc/25/35/84/463253584.db2.gz FHGFPRLCRUBVPK-UHFFFAOYSA-N 0 0 348.712 2.146 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000096425983 463254728 /nfs/dbraw/zinc/25/47/28/463254728.db2.gz MQCASTHFGYMATQ-ZFWWWQNUSA-N 0 0 326.400 2.135 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096425166 463254801 /nfs/dbraw/zinc/25/48/01/463254801.db2.gz BDHRSQIOVCTMQO-NILFDRSVSA-N 0 0 341.411 2.481 40 0 EEABRN CCn1cc(S(=O)(=O)N[C@](C)(CC)c2nc(C)cs2)cn1 ZINC000096428302 463257787 /nfs/dbraw/zinc/25/77/87/463257787.db2.gz AZGGGNHPONUZDY-CYBMUJFWSA-N 0 0 328.463 2.272 40 0 EEABRN COc1ccc(OC)c(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000096427313 463257414 /nfs/dbraw/zinc/25/74/14/463257414.db2.gz OAPASYUFCGQDMA-UHFFFAOYSA-N 0 0 328.416 2.124 40 0 EEABRN O=S(=O)(CC1CCOCC1)N(C1CC1)C1Cc2ccccc2C1 ZINC000096427905 463258087 /nfs/dbraw/zinc/25/80/87/463258087.db2.gz FSBXGNXJZKYNCT-UHFFFAOYSA-N 0 0 335.469 2.375 40 0 EEABRN C[C@H](CN1CCOCC1)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096430602 463259931 /nfs/dbraw/zinc/25/99/31/463259931.db2.gz WMKXZGXOQQRTGE-URWSZGRFSA-N 0 0 337.489 2.291 40 0 EEABRN CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000096434719 463262495 /nfs/dbraw/zinc/26/24/95/463262495.db2.gz GVOXTRZEPRBEAR-HNNXBMFYSA-N 0 0 345.378 2.096 40 0 EEABRN CC(C)Nc1ncccc1C(=O)NCc1cccc(-n2cncn2)c1 ZINC000096436657 463264707 /nfs/dbraw/zinc/26/47/07/463264707.db2.gz WKPGZADTTYQUGR-UHFFFAOYSA-N 0 0 336.399 2.413 40 0 EEABRN CCc1nc(C)ncc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000096436550 463264937 /nfs/dbraw/zinc/26/49/37/463264937.db2.gz PNRJUCGNHVOBBB-QGZVFWFLSA-N 0 0 335.354 2.263 40 0 EEABRN O=C(CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000096441685 463266768 /nfs/dbraw/zinc/26/67/68/463266768.db2.gz DPEVSOJEBDUWIV-HNNXBMFYSA-N 0 0 337.851 2.338 40 0 EEABRN Cc1csc(=O)n1CCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000096442553 463268413 /nfs/dbraw/zinc/26/84/13/463268413.db2.gz FWOSHSIGYGJUKK-FPMFFAJLSA-N 0 0 325.430 2.355 40 0 EEABRN O=C(c1nccn2ccnc12)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000096460465 463276488 /nfs/dbraw/zinc/27/64/88/463276488.db2.gz YOZYYFVFCYEMHT-MRXNPFEDSA-N 0 0 336.395 2.203 40 0 EEABRN FC(F)(F)CN1CC[C@@H](CNc2ccc3nnc(C4CC4)n3n2)C1 ZINC000096462032 463278072 /nfs/dbraw/zinc/27/80/72/463278072.db2.gz BVZJIZFITMQNIH-JTQLQIEISA-N 0 0 340.353 2.298 40 0 EEABRN CCOC(=O)NCCNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000080080594 463279450 /nfs/dbraw/zinc/27/94/50/463279450.db2.gz BWBFGCKSYIHWQU-MRVPVSSYSA-N 0 0 349.250 2.476 40 0 EEABRN Cc1nnc(CNC(=O)c2cc(Br)cn2C(C)C)[nH]1 ZINC000080076518 463279577 /nfs/dbraw/zinc/27/95/77/463279577.db2.gz MXFMSPHOPWDHCZ-UHFFFAOYSA-N 0 0 326.198 2.188 40 0 EEABRN C[C@H](CS(=O)(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccccc1 ZINC000096482427 463281514 /nfs/dbraw/zinc/28/15/14/463281514.db2.gz KTQKPWAMGLXAIY-OLZOCXBDSA-N 0 0 334.445 2.008 40 0 EEABRN O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1cccc2ncccc21 ZINC000096483472 463282481 /nfs/dbraw/zinc/28/24/81/463282481.db2.gz FAOBFYXDIMPPQP-HNNXBMFYSA-N 0 0 342.420 2.117 40 0 EEABRN COc1cc(C(=O)NCc2nccn2C)sc1Br ZINC000096485376 463283882 /nfs/dbraw/zinc/28/38/82/463283882.db2.gz GILLZSJWWSQTLO-UHFFFAOYSA-N 0 0 330.207 2.183 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000096496635 463289291 /nfs/dbraw/zinc/28/92/91/463289291.db2.gz IKECRPQBIBHDAQ-OUJBWJOFSA-N 0 0 347.381 2.395 40 0 EEABRN CO[C@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccccc2)C1 ZINC000096501311 463292078 /nfs/dbraw/zinc/29/20/78/463292078.db2.gz SHLKSEXJIHLSEO-INIZCTEOSA-N 0 0 328.416 2.408 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1F ZINC000030287596 463292598 /nfs/dbraw/zinc/29/25/98/463292598.db2.gz GLLNJBAZAFBXSU-UHFFFAOYSA-N 0 0 339.344 2.042 40 0 EEABRN CC[C@](Br)([C@H](O)c1cccc(N)c1)S(=O)(=O)CC ZINC000096521661 463293884 /nfs/dbraw/zinc/29/38/84/463293884.db2.gz ISWCIHQDNREOHT-VXGBXAGGSA-N 0 0 336.251 2.238 40 0 EEABRN COc1cccc([C@H](O)C(=O)N(C)Cc2cn(C)nc2C(C)C)c1 ZINC000097230368 463350844 /nfs/dbraw/zinc/35/08/44/463350844.db2.gz WIZNDTUKXAVSSR-KRWDZBQOSA-N 0 0 331.416 2.244 40 0 EEABRN Cc1ccc(C(=O)OCCn2cc(Br)ccc2=O)nc1 ZINC000097231054 463350997 /nfs/dbraw/zinc/35/09/97/463350997.db2.gz GGNXNAHBNONEDP-UHFFFAOYSA-N 0 0 337.173 2.171 40 0 EEABRN CCc1cnc([C@H](C)NC(=O)NCc2c(C)nn(C)c2OC)s1 ZINC000097377849 463356306 /nfs/dbraw/zinc/35/63/06/463356306.db2.gz DWEVDNOVLURZGQ-JTQLQIEISA-N 0 0 337.449 2.316 40 0 EEABRN CC(C)OC(=O)c1ccn(Cc2noc(-c3ccoc3)n2)c(=O)c1 ZINC000097376158 463356964 /nfs/dbraw/zinc/35/69/64/463356964.db2.gz JZVSTUAPXNSROU-UHFFFAOYSA-N 0 0 329.312 2.105 40 0 EEABRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccco1 ZINC000103628706 463406176 /nfs/dbraw/zinc/40/61/76/463406176.db2.gz WSCWNLBNEYADCN-GRDNDAEWSA-N 0 0 338.356 2.072 40 0 EEABRN CN(CCCNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000057288546 463475469 /nfs/dbraw/zinc/47/54/69/463475469.db2.gz KQYKYWQOLLKKGF-GOSISDBHSA-N 0 0 326.396 2.469 40 0 EEABRN O=c1c(Br)c[nH]cc1S(=O)(=O)N1CCCCCC1 ZINC000072210892 463482551 /nfs/dbraw/zinc/48/25/51/463482551.db2.gz QDZHMOWPIVJZIT-UHFFFAOYSA-N 0 0 335.223 2.114 40 0 EEABRN CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000072228078 463483847 /nfs/dbraw/zinc/48/38/47/463483847.db2.gz GQSLLKBRBRASEN-DLBZAZTESA-N 0 0 326.352 2.229 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1F ZINC000072241642 463486693 /nfs/dbraw/zinc/48/66/93/463486693.db2.gz QWOALNAZKAEQEY-SJORKVTESA-N 0 0 334.391 2.127 40 0 EEABRN C[C@@]1(C(=O)N2CCSCC2)Oc2ccc(Cl)cc2NC1=O ZINC000041550496 463493619 /nfs/dbraw/zinc/49/36/19/463493619.db2.gz CXHVJBQXSHKKSR-CQSZACIVSA-N 0 0 326.805 2.005 40 0 EEABRN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)s1 ZINC000041630745 463499841 /nfs/dbraw/zinc/49/98/41/463499841.db2.gz ZKBCEYITBDBABW-UHFFFAOYSA-N 0 0 333.398 2.226 40 0 EEABRN C[C@@H](C(=O)Nc1ncccn1)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000084714155 463624620 /nfs/dbraw/zinc/62/46/20/463624620.db2.gz VBTGETOBEUSQLS-OFQRWUPVSA-N 0 0 326.400 2.266 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1O ZINC000059474404 463643583 /nfs/dbraw/zinc/64/35/83/463643583.db2.gz ITBBGNKNNWRAEZ-UHFFFAOYSA-N 0 0 326.352 2.117 40 0 EEABRN O=S(=O)(N[C@@H]1CCCN(c2ccccn2)C1)c1ccccc1F ZINC000166148511 463652091 /nfs/dbraw/zinc/65/20/91/463652091.db2.gz IVBGVYBYUTVYCV-CYBMUJFWSA-N 0 0 335.404 2.168 40 0 EEABRN Cc1ccc(NC(=O)NCCOc2ccccc2)cc1-n1cnnn1 ZINC000044245981 463671425 /nfs/dbraw/zinc/67/14/25/463671425.db2.gz ADFDOTFZSDGXJV-UHFFFAOYSA-N 0 0 338.371 2.171 40 0 EEABRN O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1c2c(sc1-n1cnnn1)CCC2 ZINC000170612181 463683809 /nfs/dbraw/zinc/68/38/09/463683809.db2.gz JTAVROOVMXUZJO-QJPTWQEYSA-N 0 0 341.440 2.155 40 0 EEABRN Cc1cc2c(cc1NC(=O)[C@H]1COCCN1C1CCCC1)OCO2 ZINC000193786711 463740986 /nfs/dbraw/zinc/74/09/86/463740986.db2.gz BWPCYHYJZQUSAG-OAHLLOKOSA-N 0 0 332.400 2.306 40 0 EEABRN Cc1cc(CN2CCC[C@H](c3ccc4c(N)nn(C)c4n3)C2)no1 ZINC000257281809 463759324 /nfs/dbraw/zinc/75/93/24/463759324.db2.gz ORBXRGDZEWLPIZ-LBPRGKRZSA-N 0 0 326.404 2.227 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)[C@H]4CCCCO4)CC3)ccn2n1 ZINC000257280900 463759986 /nfs/dbraw/zinc/75/99/86/463759986.db2.gz OMVSQFQZRQHWHS-MRXNPFEDSA-N 0 0 328.416 2.313 40 0 EEABRN CO[C@H]1CCN(CC(=O)Nc2ccc(C)c(F)c2)C[C@@]12CCCO2 ZINC000257279449 463760647 /nfs/dbraw/zinc/76/06/47/463760647.db2.gz OGSOLRZIQQQUKV-WMZOPIPTSA-N 0 0 336.407 2.343 40 0 EEABRN CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2ccccn2)C1 ZINC000257287850 463762766 /nfs/dbraw/zinc/76/27/66/463762766.db2.gz PRTALBYBSIHCNT-IBGZPJMESA-N 0 0 339.443 2.227 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2cnccn2)C1 ZINC000257290462 463764197 /nfs/dbraw/zinc/76/41/97/463764197.db2.gz QDBSCFWHFVIIGK-HNNXBMFYSA-N 0 0 335.411 2.381 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccc(C)n1)C2 ZINC000257291112 463764472 /nfs/dbraw/zinc/76/44/72/463764472.db2.gz QFSPRPLPGJTCQT-LKCYJCQHSA-N 0 0 327.428 2.394 40 0 EEABRN O=C(c1c[nH]cn1)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257294565 463766382 /nfs/dbraw/zinc/76/63/82/463766382.db2.gz QUSGUAOIPMAWAK-AWEZNQCLSA-N 0 0 325.368 2.487 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294914 463766386 /nfs/dbraw/zinc/76/63/86/463766386.db2.gz QWGYZPIHWTYCOR-HNNXBMFYSA-N 0 0 333.457 2.122 40 0 EEABRN O=C(CCCn1cccn1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257296355 463767024 /nfs/dbraw/zinc/76/70/24/463767024.db2.gz RCKXKOXFKNNURF-ZHALLVOQSA-N 0 0 343.427 2.141 40 0 EEABRN COc1ccc(CC(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000257301683 463769428 /nfs/dbraw/zinc/76/94/28/463769428.db2.gz RZJXVBRXSPDNQO-QZTJIDSGSA-N 0 0 345.370 2.028 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCC(c3cnccn3)CC2)n1 ZINC000257306264 463769805 /nfs/dbraw/zinc/76/98/05/463769805.db2.gz STNHHJHNKZZQIJ-UHFFFAOYSA-N 0 0 327.432 2.476 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)cc1 ZINC000257315361 463774897 /nfs/dbraw/zinc/77/48/97/463774897.db2.gz VAZJNDSWAYJTCG-KRWDZBQOSA-N 0 0 347.440 2.164 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)on1 ZINC000257317191 463775593 /nfs/dbraw/zinc/77/55/93/463775593.db2.gz VISRWUWHVWPRTL-INIZCTEOSA-N 0 0 342.399 2.245 40 0 EEABRN Nc1cccc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1 ZINC000257321056 463776400 /nfs/dbraw/zinc/77/64/00/463776400.db2.gz VZXJGXMJQDBLCV-KRWDZBQOSA-N 0 0 334.379 2.426 40 0 EEABRN CCc1noc(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000257326235 463779123 /nfs/dbraw/zinc/77/91/23/463779123.db2.gz WWKHTGPSPSBLRT-OAHLLOKOSA-N 0 0 328.416 2.080 40 0 EEABRN CC(C)n1nccc1-c1cnc([C@@H]2CCCN2S(C)(=O)=O)cn1 ZINC000257334333 463782905 /nfs/dbraw/zinc/78/29/05/463782905.db2.gz YFLLOXOHOIXODU-AWEZNQCLSA-N 0 0 335.433 2.018 40 0 EEABRN C[C@@]1(O)CCN(C(=O)CCc2cccnc2)C[C@H]1Oc1ccccc1 ZINC000257336612 463784109 /nfs/dbraw/zinc/78/41/09/463784109.db2.gz YPFGMCRILNFLEB-UYAOXDASSA-N 0 0 340.423 2.445 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@@H](OC)[C@]2(CCCO2)C1 ZINC000257338226 463784659 /nfs/dbraw/zinc/78/46/59/463784659.db2.gz YWMNBDFDMOTEHI-MJGOQNOKSA-N 0 0 332.444 2.457 40 0 EEABRN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(N(C)C)no2)c1 ZINC000185242554 463786089 /nfs/dbraw/zinc/78/60/89/463786089.db2.gz FSWMHJCEPRNNLS-CQSZACIVSA-N 0 0 332.404 2.490 40 0 EEABRN CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000260905851 463792858 /nfs/dbraw/zinc/79/28/58/463792858.db2.gz SXMUPOKLRXTWSU-UKRRQHHQSA-N 0 0 326.462 2.392 40 0 EEABRN C[C@@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1n1ccnc1 ZINC000194209010 463814681 /nfs/dbraw/zinc/81/46/81/463814681.db2.gz WZHWBANBXYIEBW-UKRRQHHQSA-N 0 0 336.399 2.392 40 0 EEABRN COc1cccc2c1CCN(C(=O)NC[C@@H](C)Cn1cccn1)CC2 ZINC000194281532 463827069 /nfs/dbraw/zinc/82/70/69/463827069.db2.gz CQBOARDTLLHDCW-OAHLLOKOSA-N 0 0 342.443 2.338 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000195566117 464079164 /nfs/dbraw/zinc/07/91/64/464079164.db2.gz PRNNPQPSJKJTHY-JBLDHEPKSA-N 0 0 346.349 2.346 40 0 EEABRN C[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)c1nc2ccccc2s1 ZINC000195574546 464079946 /nfs/dbraw/zinc/07/99/46/464079946.db2.gz VOLCGUGKXOIBJE-JTNHKYCSSA-N 0 0 340.470 2.497 40 0 EEABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222822945 464133328 /nfs/dbraw/zinc/13/33/28/464133328.db2.gz PKKYPWDONRRWBT-WBMJQRKESA-N 0 0 338.835 2.372 40 0 EEABRN CCc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1 ZINC000224172378 464148093 /nfs/dbraw/zinc/14/80/93/464148093.db2.gz CIRHXORFHUADJC-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN C[C@@H]1CCCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1 ZINC000187692532 464151846 /nfs/dbraw/zinc/15/18/46/464151846.db2.gz PVFUNWMTXGNKGH-DOMZBBRYSA-N 0 0 344.415 2.091 40 0 EEABRN CCOC(=O)c1cnc(NC(=S)NCc2ccccc2)nc1C ZINC000225196220 464155012 /nfs/dbraw/zinc/15/50/12/464155012.db2.gz NDBVCHYOWHQMFK-UHFFFAOYSA-N 0 0 330.413 2.448 40 0 EEABRN C[C@H](CCNC(=O)N1CCOC[C@@H]1c1ncnn1C)CC(C)(C)C ZINC000225461372 464162761 /nfs/dbraw/zinc/16/27/61/464162761.db2.gz BWSUZVUVRHYFSK-ZIAGYGMSSA-N 0 0 337.468 2.360 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CCc2cccn2C)C[C@H]1C ZINC000225585650 464173842 /nfs/dbraw/zinc/17/38/42/464173842.db2.gz NHRIUZOCQBOARB-IIAWOOMASA-N 0 0 335.448 2.187 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000225675913 464179172 /nfs/dbraw/zinc/17/91/72/464179172.db2.gz XGTDYKOHKSAMBO-DGCLKSJQSA-N 0 0 333.400 2.194 40 0 EEABRN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CC(c2cccnc2)=NO1 ZINC000188668350 464337977 /nfs/dbraw/zinc/33/79/77/464337977.db2.gz OWGLQNWQPVTENA-HYVNUMGLSA-N 0 0 339.399 2.071 40 0 EEABRN CSCCN(C)C(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000189219537 464458580 /nfs/dbraw/zinc/45/85/80/464458580.db2.gz QRUBBZZMCFAMTD-UHFFFAOYSA-N 0 0 340.399 2.348 40 0 EEABRN Cc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1C ZINC000244418503 464460979 /nfs/dbraw/zinc/46/09/79/464460979.db2.gz YSEPPCDTVZZGIH-UHFFFAOYSA-N 0 0 326.462 2.232 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)nc1 ZINC000247503472 464686969 /nfs/dbraw/zinc/68/69/69/464686969.db2.gz GFTAZCQFAZPYLR-ZDUSSCGKSA-N 0 0 330.363 2.075 40 0 EEABRN O=S(=O)(c1cccc(NCc2ccccc2)c1)N1CCC(O)CC1 ZINC000190650378 464695270 /nfs/dbraw/zinc/69/52/70/464695270.db2.gz MFFNURZECSCNJY-UHFFFAOYSA-N 0 0 346.452 2.444 40 0 EEABRN COCCNC(=O)c1cn2c(n1)[C@@H](C)N(Cc1ccc(C)s1)CC2 ZINC000248048274 464727303 /nfs/dbraw/zinc/72/73/03/464727303.db2.gz AKLRLFKUCRHNQG-CYBMUJFWSA-N 0 0 348.472 2.206 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000248244192 464739939 /nfs/dbraw/zinc/73/99/39/464739939.db2.gz IRSCIXDXCXFQBV-ZLDLUXBVSA-N 0 0 336.382 2.443 40 0 EEABRN CC[C@]1(CO)CCCN1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000190950441 464750541 /nfs/dbraw/zinc/75/05/41/464750541.db2.gz KDHYMTCWZCVWRA-RDTXWAMCSA-N 0 0 343.431 2.275 40 0 EEABRN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000249260724 464855736 /nfs/dbraw/zinc/85/57/36/464855736.db2.gz IUBCBYNDZNMXRI-QLFBSQMISA-N 0 0 338.473 2.255 40 0 EEABRN CN1CC[NH+](CC2CCN(C(=O)NCCC3=CCCC3)CC2)CC1 ZINC000192200372 464885479 /nfs/dbraw/zinc/88/54/79/464885479.db2.gz ATVFQRIELHCLLX-UHFFFAOYSA-N 0 0 334.508 2.156 40 0 EEABRN O=S1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000183943966 464930014 /nfs/dbraw/zinc/93/00/14/464930014.db2.gz DDFWWLMFVKFFCT-UHFFFAOYSA-N 0 0 337.470 2.241 40 0 EEABRN Cc1ccnc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)c1 ZINC000252494442 464967490 /nfs/dbraw/zinc/96/74/90/464967490.db2.gz NVZKLGHNJYAMOY-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN CCN1CCN(C(=O)Cc2ccc(NC[C@@H]3CCC=CO3)cc2)CC1 ZINC000252492271 464967574 /nfs/dbraw/zinc/96/75/74/464967574.db2.gz MHCMNYUIUJSBLH-IBGZPJMESA-N 0 0 343.471 2.498 40 0 EEABRN C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000252571671 464984173 /nfs/dbraw/zinc/98/41/73/464984173.db2.gz YHIFRGAPGZMBKX-MPGHIAIKSA-N 0 0 342.443 2.405 40 0 EEABRN COC(=O)[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccc(F)cc1 ZINC000192752685 464990780 /nfs/dbraw/zinc/99/07/80/464990780.db2.gz RQQKPIUQZNYKOU-CYBMUJFWSA-N 0 0 331.347 2.113 40 0 EEABRN O=C(CCc1cnccn1)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000253428164 465012538 /nfs/dbraw/zinc/01/25/38/465012538.db2.gz HKWHZQLOBCTNEB-OAHLLOKOSA-N 0 0 328.391 2.334 40 0 EEABRN CCc1nnc([C@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)CCO2)[nH]1 ZINC000367071366 466109769 /nfs/dbraw/zinc/10/97/69/466109769.db2.gz JUNIGGYMTQWUDO-WDEREUQCSA-N 0 0 328.363 2.093 40 0 EEABRN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 ZINC000408566074 466680795 /nfs/dbraw/zinc/68/07/95/466680795.db2.gz DTGVQVNDHPWBFL-UHFFFAOYSA-N 0 0 328.368 2.010 40 0 EEABRN CC(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408553156 466681265 /nfs/dbraw/zinc/68/12/65/466681265.db2.gz OHTQPYZIVCPMNL-CYBMUJFWSA-N 0 0 334.441 2.279 40 0 EEABRN CCCNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000409138545 466685185 /nfs/dbraw/zinc/68/51/85/466685185.db2.gz DNBRVVCYQYWJKQ-UHFFFAOYSA-N 0 0 332.385 2.481 40 0 EEABRN COCc1cccc2sc(NC(=O)[C@@H]3CCc4n[nH]nc4C3)nc21 ZINC000390835625 467414999 /nfs/dbraw/zinc/41/49/99/467414999.db2.gz SSTSRZDFDZOKTN-SECBINFHSA-N 0 0 343.412 2.304 40 0 EEABRN CCc1nnc([C@H](C)N2CCN(C(=O)NC3CCCCC3)CC2)o1 ZINC000390835467 467415050 /nfs/dbraw/zinc/41/50/50/467415050.db2.gz OMNSAGCAPUDCLI-ZDUSSCGKSA-N 0 0 335.452 2.353 40 0 EEABRN CC(C)C[C@H]1C(=O)NCCN1Cc1ncc(Br)s1 ZINC000390835766 467415202 /nfs/dbraw/zinc/41/52/02/467415202.db2.gz XWRKFKTVSVZLJG-VIFPVBQESA-N 0 0 332.267 2.252 40 0 EEABRN CN(C)C(=O)N1CCN(C(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000408129365 467514168 /nfs/dbraw/zinc/51/41/68/467514168.db2.gz OVXYTCAONKUYRZ-UHFFFAOYSA-N 0 0 328.416 2.386 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)sc1C ZINC000528542814 467698702 /nfs/dbraw/zinc/69/87/02/467698702.db2.gz RPNLWSRSYGFGII-ZDUSSCGKSA-N 0 0 336.438 2.207 40 0 EEABRN Cc1nccc(O[C@H]2CCCN(C(=O)CSc3ccncc3)C2)n1 ZINC000575607324 468146663 /nfs/dbraw/zinc/14/66/63/468146663.db2.gz ZUDYVUKXVIEPNM-AWEZNQCLSA-N 0 0 344.440 2.342 40 0 EEABRN C[C@H]1Cc2ccccc2CN1C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000571568834 468806937 /nfs/dbraw/zinc/80/69/37/468806937.db2.gz AYKQRAVQUWCPNL-AWEZNQCLSA-N 0 0 348.406 2.351 40 0 EEABRN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000585103617 468970969 /nfs/dbraw/zinc/97/09/69/468970969.db2.gz YKOMONMGKXCIDK-LPHOPBHVSA-N 0 0 330.428 2.082 40 0 EEABRN Cn1cc(CN2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)cn1 ZINC000585105530 468972330 /nfs/dbraw/zinc/97/23/30/468972330.db2.gz ZAENTLRVDUDLGJ-CYBMUJFWSA-N 0 0 334.420 2.093 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1ccccc1)C2 ZINC000585110895 468974943 /nfs/dbraw/zinc/97/49/43/468974943.db2.gz WIKIWWXUTOITTP-KRWDZBQOSA-N 0 0 338.455 2.436 40 0 EEABRN O=C(CC1CC1)NCC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21 ZINC000585112665 468975284 /nfs/dbraw/zinc/97/52/84/468975284.db2.gz UUZITHKKQDCIOW-QGZVFWFLSA-N 0 0 339.443 2.141 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCC1CCN(CC(F)F)CC1 ZINC000585142169 468992041 /nfs/dbraw/zinc/99/20/41/468992041.db2.gz QNWZKHHLYRJSPY-UHFFFAOYSA-N 0 0 332.416 2.083 40 0 EEABRN CCn1cncc1CN1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585275464 468998928 /nfs/dbraw/zinc/99/89/28/468998928.db2.gz FBOKOAWNTLHPHN-LJQANCHMSA-N 0 0 345.443 2.199 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)nc1 ZINC000585275700 468999210 /nfs/dbraw/zinc/99/92/10/468999210.db2.gz DOMMIYXBOYEIDP-LJQANCHMSA-N 0 0 326.396 2.354 40 0 EEABRN CNc1cnc(C(=O)N2CCC[C@H](OC)[C@@H]2Cc2ccccc2)nc1 ZINC000585277090 469002488 /nfs/dbraw/zinc/00/24/88/469002488.db2.gz SCYOCHKKQXXPDO-IRXDYDNUSA-N 0 0 340.427 2.381 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cn2ccnc2C)C1 ZINC000585277692 469003401 /nfs/dbraw/zinc/00/34/01/469003401.db2.gz OEYXTLVEBRBREK-GOSISDBHSA-N 0 0 347.390 2.027 40 0 EEABRN Cc1cccc(C[C@@]2(CO)CN(Cc3ncccc3F)CCO2)c1 ZINC000585278944 469004937 /nfs/dbraw/zinc/00/49/37/469004937.db2.gz XACWVJONOLSXCC-IBGZPJMESA-N 0 0 330.403 2.335 40 0 EEABRN CO[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585278970 469005233 /nfs/dbraw/zinc/00/52/33/469005233.db2.gz JPDUMSBTMDLULR-PBHICJAKSA-N 0 0 331.391 2.198 40 0 EEABRN CCCn1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)cn1 ZINC000585279884 469006172 /nfs/dbraw/zinc/00/61/72/469006172.db2.gz SHFPUYBXDAHDDN-SJLPKXTDSA-N 0 0 327.428 2.359 40 0 EEABRN CO[C@@H]1CN(C(=O)Cn2ccnc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279870 469006703 /nfs/dbraw/zinc/00/67/03/469006703.db2.gz RRYDPNPXIBDUCD-QZTJIDSGSA-N 0 0 327.428 2.298 40 0 EEABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cc(F)cc(Br)c1 ZINC000081638276 500781474 /nfs/dbraw/zinc/78/14/74/500781474.db2.gz DTABLBVWNMIEBJ-QMMMGPOBSA-N 0 0 346.200 2.434 40 0 EEABRN COCCCNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 ZINC000252498840 536553620 /nfs/dbraw/zinc/55/36/20/536553620.db2.gz RNEZXPPEBAFZBG-UHFFFAOYSA-N 0 0 331.416 2.399 40 0 EEABRN CCC(CC)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225833868 535063986 /nfs/dbraw/zinc/06/39/86/535063986.db2.gz MKLWHIWQTIEOMX-GFCCVEGCSA-N 0 0 342.461 2.155 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1C ZINC000257266025 535828282 /nfs/dbraw/zinc/82/82/82/535828282.db2.gz MBHCLTKAVONAPO-INIZCTEOSA-N 0 0 348.472 2.250 40 0 EEABRN CCc1cnc(NC(=O)C2CCN(c3nccc(OC)n3)CC2)s1 ZINC000241965773 536065241 /nfs/dbraw/zinc/06/52/41/536065241.db2.gz UVNVZEVBLLUZCE-UHFFFAOYSA-N 0 0 347.444 2.359 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H](Cc3nccnc3NC)C2)no1 ZINC000257202631 536105670 /nfs/dbraw/zinc/10/56/70/536105670.db2.gz AMRPRWBOSAFHAE-LBPRGKRZSA-N 0 0 329.404 2.164 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)no1 ZINC000257311531 536106197 /nfs/dbraw/zinc/10/61/97/536106197.db2.gz UJYCZQFTVVBBLK-QGZVFWFLSA-N 0 0 342.399 2.245 40 0 EEABRN C[C@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)N1Cc2ccccc2C1=O ZINC000896688218 685173413 /nfs/dbraw/zinc/17/34/13/685173413.db2.gz ILTLBWMARFFCOC-MRVPVSSYSA-N 0 0 338.289 2.412 40 0 EEABRN COCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257309053 1367058880 /nfs/dbraw/zinc/05/88/80/1367058880.db2.gz TZIFHGKFBKSWCE-UWVAXJGDSA-N 0 0 344.455 2.294 40 0 EEABRN CN1C[C@@H](C(=O)Nc2nc(CC3CC3)ns2)c2ccccc2C1=O ZINC000952852354 796033349 /nfs/dbraw/zinc/03/33/49/796033349.db2.gz AOJKXFRWKKPJNG-CYBMUJFWSA-N 0 0 342.424 2.299 40 0 EEABRN NC(=O)Nc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 ZINC000055049446 214268295 /nfs/dbraw/zinc/26/82/95/214268295.db2.gz JSXAJQNXRFSINN-UHFFFAOYSA-N 0 0 332.385 2.295 40 0 EEABRN CNC(=O)c1cccc(NCC(=O)NCCc2ccccc2C)c1C ZINC000055854909 214344927 /nfs/dbraw/zinc/34/49/27/214344927.db2.gz MHQRLARLMPSXMC-UHFFFAOYSA-N 0 0 339.439 2.434 40 0 EEABRN Cc1csc(CN2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)n1 ZINC000097953443 219063951 /nfs/dbraw/zinc/06/39/51/219063951.db2.gz UZLMVTSRCGSGRV-VBQJREDUSA-N 0 0 335.473 2.053 40 0 EEABRN COc1ccc(C(=O)NC(=S)NNc2ccccc2)c(OC)c1 ZINC000059294516 214616111 /nfs/dbraw/zinc/61/61/11/214616111.db2.gz GKWWBWLEZZTBRR-UHFFFAOYSA-N 0 0 331.397 2.335 40 0 EEABRN COc1ccc2c(c1)OC[C@@H](C(=O)NCCCn1nc(C)cc1C)C2 ZINC000064485437 214789700 /nfs/dbraw/zinc/78/97/00/214789700.db2.gz ZRRBIDBPVMHFHJ-INIZCTEOSA-N 0 0 343.427 2.266 40 0 EEABRN CCN1C(=O)[C@H]2C(=O)N(C)C(c3ccccc3)(c3ccccc3)[C@@H]2C1=O ZINC000101628416 219148116 /nfs/dbraw/zinc/14/81/16/219148116.db2.gz XIWFSNBYZJUVSZ-SJORKVTESA-N 0 0 348.402 2.023 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cccn2)ccc1OC(C)C ZINC000045741988 213752478 /nfs/dbraw/zinc/75/24/78/213752478.db2.gz XXZIMFCJCHJUKJ-AWEZNQCLSA-N 0 0 337.445 2.346 40 0 EEABRN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(Cl)cc1Br ZINC000195547491 288386079 /nfs/dbraw/zinc/38/60/79/288386079.db2.gz PYRGKMYGWQQYSL-PSASIEDQSA-N 0 0 348.624 2.324 40 0 EEABRN C[C@H](NC(=O)CN1CSCC1=O)c1cccc(C(F)(F)F)c1 ZINC000044866328 213652542 /nfs/dbraw/zinc/65/25/42/213652542.db2.gz OQMGZOQNPVWGFE-VIFPVBQESA-N 0 0 332.347 2.416 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 ZINC000067004876 215102949 /nfs/dbraw/zinc/10/29/49/215102949.db2.gz YUWKXIPMFPKYII-UHFFFAOYSA-N 0 0 347.396 2.240 40 0 EEABRN Cc1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000179431901 233026301 /nfs/dbraw/zinc/02/63/01/233026301.db2.gz ITENLHAOKPZPRN-HZPDHXFCSA-N 0 0 345.468 2.064 40 0 EEABRN COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)cc1 ZINC000067898800 215245462 /nfs/dbraw/zinc/24/54/62/215245462.db2.gz IDMNXNSXYBTFJW-KRWDZBQOSA-N 0 0 339.399 2.382 40 0 biogenic,in-vitro EEABRN Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000068867099 215340786 /nfs/dbraw/zinc/34/07/86/215340786.db2.gz JHMFPXCZFLCLPY-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040386569 213295833 /nfs/dbraw/zinc/29/58/33/213295833.db2.gz ANOXNNOJDNITFP-ZETCQYMHSA-N 0 0 340.170 2.182 40 0 EEABRN COCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccc(F)cc1 ZINC000039963878 213247287 /nfs/dbraw/zinc/24/72/87/213247287.db2.gz GGXZPFBRNPFHAA-UHFFFAOYSA-N 0 0 330.319 2.172 40 0 EEABRN C[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000038581947 213216706 /nfs/dbraw/zinc/21/67/06/213216706.db2.gz URECFMLYXNGWIZ-ZFWWWQNUSA-N 0 0 339.461 2.093 40 0 EEABRN CCc1nnc(-c2ccc(OC)c(NC(=O)Cn3cccn3)c2)o1 ZINC000036752346 213115587 /nfs/dbraw/zinc/11/55/87/213115587.db2.gz IHQMYBJWOUKLPE-UHFFFAOYSA-N 0 0 327.344 2.143 40 0 EEABRN O=C(Cc1cncs1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000187359035 236188590 /nfs/dbraw/zinc/18/85/90/236188590.db2.gz XTDVQCZSXGDJPY-UHFFFAOYSA-N 0 0 347.415 2.199 40 0 EEABRN CCCc1nnc(SCC(=O)NC(C)C)n1C[C@@H]1CCCO1 ZINC000035313810 213021099 /nfs/dbraw/zinc/02/10/99/213021099.db2.gz HRBLRIPBOWJMTK-LBPRGKRZSA-N 0 0 326.466 2.026 40 0 EEABRN CCCc1nnc(SCC(=O)NC(C)(C)C)n1C[C@@H]1CCCO1 ZINC000035313806 213020802 /nfs/dbraw/zinc/02/08/02/213020802.db2.gz DNTGUHJTJGFHJQ-LBPRGKRZSA-N 0 0 340.493 2.416 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000072239115 216078656 /nfs/dbraw/zinc/07/86/56/216078656.db2.gz IZQQUDANAXEWAJ-UHFFFAOYSA-N 0 0 348.472 2.031 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000072241916 216080183 /nfs/dbraw/zinc/08/01/83/216080183.db2.gz HUDRWPBJLLXEHG-AEFFLSMTSA-N 0 0 341.386 2.447 40 0 EEABRN C[C@@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1)c1ccccc1 ZINC000072238959 216077243 /nfs/dbraw/zinc/07/72/43/216077243.db2.gz OTZOXNNFLXNMLB-CYBMUJFWSA-N 0 0 328.397 2.307 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2cccc(F)c2)C1 ZINC000072346037 216159307 /nfs/dbraw/zinc/15/93/07/216159307.db2.gz DRXMISKAEIXBNK-CYBMUJFWSA-N 0 0 344.390 2.217 40 0 EEABRN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000072361977 216168874 /nfs/dbraw/zinc/16/88/74/216168874.db2.gz QLLCJNOVUQXYJQ-CYBMUJFWSA-N 0 0 348.428 2.111 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000072389419 216189418 /nfs/dbraw/zinc/18/94/18/216189418.db2.gz MAUQCCANVIVPIA-KRWDZBQOSA-N 0 0 338.411 2.424 40 0 EEABRN C[NH+](C)[C@@H](CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000072401252 216194060 /nfs/dbraw/zinc/19/40/60/216194060.db2.gz JUFLYIZPSNNLCS-MJBXVCDLSA-N 0 0 338.835 2.416 40 0 EEABRN Cn1cc([C@H]2CCN(C(=O)Nc3cccc(-n4ccnn4)c3)C2)cn1 ZINC000130689546 223170223 /nfs/dbraw/zinc/17/02/23/223170223.db2.gz QJLZRBNCEAZHQI-ZDUSSCGKSA-N 0 0 337.387 2.022 40 0 EEABRN COC(=O)[C@H](c1ccccc1F)N1CCN(Cc2cc(C)on2)CC1 ZINC000072557659 216275170 /nfs/dbraw/zinc/27/51/70/216275170.db2.gz MFDWYNZSSWEODR-KRWDZBQOSA-N 0 0 347.390 2.154 40 0 EEABRN O=C(c1ccncn1)N1CCC2(CCC(=O)N(CC3CCC3)C2)CC1 ZINC000108529747 219899883 /nfs/dbraw/zinc/89/98/83/219899883.db2.gz QMSVQHKXDGGDDN-UHFFFAOYSA-N 0 0 342.443 2.122 40 0 EEABRN C[C@H](NC(=O)Nc1nc2c(s1)CCCC2)c1nnnn1C1CC1 ZINC000191506678 239153767 /nfs/dbraw/zinc/15/37/67/239153767.db2.gz PIJOSIACZXCWHQ-QMMMGPOBSA-N 0 0 333.421 2.226 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCCCC2)cc1 ZINC000023030198 212343237 /nfs/dbraw/zinc/34/32/37/212343237.db2.gz BHDABAUVWWZUDZ-UHFFFAOYSA-N 0 0 338.473 2.312 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)N1CCN(c2nccs2)CC1 ZINC000022243049 212285315 /nfs/dbraw/zinc/28/53/15/212285315.db2.gz WWTNAOAFBZDTRG-ZNMIVQPWSA-N 0 0 336.505 2.349 40 0 EEABRN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1COCCN1 ZINC000195543068 240995184 /nfs/dbraw/zinc/99/51/84/240995184.db2.gz OJFXAZMHSOKNRW-HGTKBFHLSA-N 0 0 348.446 2.388 40 0 EEABRN COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ncccc2=O)cc1 ZINC000195418120 240955404 /nfs/dbraw/zinc/95/54/04/240955404.db2.gz IFYFVMLROQBABG-KRWDZBQOSA-N 0 0 341.411 2.396 40 0 EEABRN O=C(COC(=O)c1ccnc(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000021743029 212247196 /nfs/dbraw/zinc/24/71/96/212247196.db2.gz MAIPPOGJHSAUIH-UHFFFAOYSA-N 0 0 348.742 2.302 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1 ZINC000223028960 241595544 /nfs/dbraw/zinc/59/55/44/241595544.db2.gz HCVWUALOWHWYHP-SECBINFHSA-N 0 0 336.344 2.300 40 0 EEABRN Cc1ccccc1-c1noc(=O)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000225432728 241859497 /nfs/dbraw/zinc/85/94/97/241859497.db2.gz YXWAJVFFDAFVKZ-UHFFFAOYSA-N 0 0 344.392 2.264 40 0 EEABRN COc1ccc(CCNC(=O)NCc2cnn3c2CCCC3)cc1 ZINC000225612224 241952489 /nfs/dbraw/zinc/95/24/89/241952489.db2.gz YQTJBVNZYBRNQQ-UHFFFAOYSA-N 0 0 328.416 2.270 40 0 EEABRN CS(=O)(=O)N[C@@H](CC(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000225951988 242078858 /nfs/dbraw/zinc/07/88/58/242078858.db2.gz UGQDWFMTDWHFLV-AWEZNQCLSA-N 0 0 344.864 2.333 40 0 EEABRN NC(=O)c1ccccc1NC(=O)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225720594 242003281 /nfs/dbraw/zinc/00/32/81/242003281.db2.gz MJBDWIJJJMQJIU-LBPRGKRZSA-N 0 0 343.408 2.317 40 0 EEABRN Cc1cc(CNC(=O)[C@H](C)N2c3ccccc3CCCC2=O)n(C)n1 ZINC000227169225 242126704 /nfs/dbraw/zinc/12/67/04/242126704.db2.gz QGCHBXLWUHWFBU-AWEZNQCLSA-N 0 0 340.427 2.103 40 0 EEABRN CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193902 243390863 /nfs/dbraw/zinc/39/08/63/243390863.db2.gz OJMPNOPMCFXEOE-KGLIPLIRSA-N 0 0 331.420 2.406 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)n(C)n1 ZINC000248032306 243507595 /nfs/dbraw/zinc/50/75/95/243507595.db2.gz LQIYZTDVVPYEDI-SFHVURJKSA-N 0 0 342.443 2.074 40 0 EEABRN COC(=O)c1ccc(NCc2ncnn2C(C)(C)C)cc1C(=O)OC ZINC000252491964 243799877 /nfs/dbraw/zinc/79/98/77/243799877.db2.gz MAJHSDCJBNPZHF-UHFFFAOYSA-N 0 0 346.387 2.218 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000253615603 244039872 /nfs/dbraw/zinc/03/98/72/244039872.db2.gz DLBIPLJYHGYEBP-OAHLLOKOSA-N 0 0 328.368 2.056 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257200624 244117189 /nfs/dbraw/zinc/11/71/89/244117189.db2.gz AECPSNFDLZLTLI-AWEZNQCLSA-N 0 0 328.420 2.361 40 0 EEABRN COCCC(=O)N1CCC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 ZINC000257214699 244162147 /nfs/dbraw/zinc/16/21/47/244162147.db2.gz CNCHHWIIFFBGSF-CQSZACIVSA-N 0 0 330.432 2.143 40 0 EEABRN Nc1nccnc1[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)CCO1 ZINC000257215756 244167491 /nfs/dbraw/zinc/16/74/91/244167491.db2.gz CRMRICLXYCRRKW-KRWDZBQOSA-N 0 0 348.406 2.355 40 0 EEABRN Cc1cc(NC2CC3(C2)CCN(C(=O)Cc2cccnc2)C3)ncn1 ZINC000257224499 244196319 /nfs/dbraw/zinc/19/63/19/244196319.db2.gz FCBNBJLKJZYVQJ-UHFFFAOYSA-N 0 0 337.427 2.216 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)on1 ZINC000257243474 244251219 /nfs/dbraw/zinc/25/12/19/244251219.db2.gz IHEMMVJNZIDQJW-CYBMUJFWSA-N 0 0 341.371 2.353 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000257239605 244238550 /nfs/dbraw/zinc/23/85/50/244238550.db2.gz HQBWYUAQVMNBDK-OAHLLOKOSA-N 0 0 335.411 2.381 40 0 EEABRN COCC(=O)N1[C@H](Cc2ccc(F)cc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257251363 244270132 /nfs/dbraw/zinc/27/01/32/244270132.db2.gz JQLFHZMSIKNCOG-IXDOHACOSA-N 0 0 348.418 2.043 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCO[C@H](c2nc(C)cc(C)n2)C1 ZINC000257265748 244361943 /nfs/dbraw/zinc/36/19/43/244361943.db2.gz MACHIILZMOSVLN-INIZCTEOSA-N 0 0 345.374 2.455 40 0 EEABRN CNc1ncccc1CN1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257261216 244348397 /nfs/dbraw/zinc/34/83/97/244348397.db2.gz LGFIYKWZJWMLRL-SFHVURJKSA-N 0 0 339.443 2.492 40 0 EEABRN O=C(CCCN1CCCC1=O)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257262835 244352153 /nfs/dbraw/zinc/35/21/53/244352153.db2.gz LNCOPXHCQQEMFP-KRWDZBQOSA-N 0 0 329.444 2.265 40 0 EEABRN CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)nc(C)n1 ZINC000257276822 244395724 /nfs/dbraw/zinc/39/57/24/244395724.db2.gz NVGZEBPVTHPMFX-OAHLLOKOSA-N 0 0 332.429 2.353 40 0 EEABRN CO[C@H]1CN(C(=O)c2cn3c(cccc3C)n2)CC[C@@]12CCCO2 ZINC000257309480 244485779 /nfs/dbraw/zinc/48/57/79/244485779.db2.gz UBCLGHOHXAOFPO-YJBOKZPZSA-N 0 0 329.400 2.053 40 0 EEABRN Cn1cc(-c2ccc([C@H]3CCCN(C(=O)c4cnccn4)C3)nc2)cn1 ZINC000019688579 212056302 /nfs/dbraw/zinc/05/63/02/212056302.db2.gz NKLPMLRJKCIUIT-HNNXBMFYSA-N 0 0 348.410 2.292 40 0 EEABRN Cc1nn(C)c(C)c1CN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000019577746 212046041 /nfs/dbraw/zinc/04/60/41/212046041.db2.gz DGJCYVVXSFTZOD-UHFFFAOYSA-N 0 0 325.409 2.138 40 0 EEABRN COc1ccc2c(c1)C[C@@H](C(=O)NCCn1nc(C)c(C)c1C)CO2 ZINC000019557208 212042756 /nfs/dbraw/zinc/04/27/56/212042756.db2.gz LIHBYXVFUQUASH-MRXNPFEDSA-N 0 0 343.427 2.184 40 0 EEABRN C[C@H](Cn1cncn1)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019457797 212029392 /nfs/dbraw/zinc/02/93/92/212029392.db2.gz SAHQQBYFMJACCU-HUUCEWRRSA-N 0 0 346.406 2.371 40 0 EEABRN CN(C(=O)Cn1cc(I)cn1)c1ccccc1 ZINC000077962787 217006032 /nfs/dbraw/zinc/00/60/32/217006032.db2.gz DJJLDRYDXMKDLH-UHFFFAOYSA-N 0 0 341.152 2.151 40 0 EEABRN O=C(NCC1CCSCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000078114396 217023918 /nfs/dbraw/zinc/02/39/18/217023918.db2.gz QMVNTMXRKGRXBR-QGZVFWFLSA-N 0 0 334.485 2.147 40 0 EEABRN Cc1csc2c(C3CCN(C(=O)Cn4cncn4)CC3)nc(C)n12 ZINC000019240557 212009228 /nfs/dbraw/zinc/00/92/28/212009228.db2.gz IFWMDKYBSICZSJ-UHFFFAOYSA-N 0 0 344.444 2.010 40 0 EEABRN C[C@H](C(=O)N1CCCC1)N1CCN(CCSc2ccccc2)CC1 ZINC000078440867 217051992 /nfs/dbraw/zinc/05/19/92/217051992.db2.gz OWHQLAMKUAQGFP-QGZVFWFLSA-N 0 0 347.528 2.407 40 0 EEABRN C[C@H](OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 ZINC000078442490 217053371 /nfs/dbraw/zinc/05/33/71/217053371.db2.gz HJKVCJTUJZHFPG-WCQYABFASA-N 0 0 329.393 2.102 40 0 EEABRN O=C(Cc1ccccc1O)NCc1ccccc1CN1CCCC1=O ZINC000078394345 217047222 /nfs/dbraw/zinc/04/72/22/217047222.db2.gz UMEIASOBQNBWFI-UHFFFAOYSA-N 0 0 338.407 2.374 40 0 EEABRN C[C@H](Cc1nnc(SCCNS(C)(=O)=O)o1)c1ccccc1 ZINC000078614678 217087941 /nfs/dbraw/zinc/08/79/41/217087941.db2.gz CVUXKDSIZQGOBA-LLVKDONJSA-N 0 0 341.458 2.057 40 0 EEABRN C[C@@H](c1nc(-c2cccc(CN3CCOCC3)c2)no1)n1ccnc1 ZINC000078774624 217118214 /nfs/dbraw/zinc/11/82/14/217118214.db2.gz KLWYZSKWARCBAO-AWEZNQCLSA-N 0 0 339.399 2.375 40 0 EEABRN Cc1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cnn1C ZINC000078781876 217119657 /nfs/dbraw/zinc/11/96/57/217119657.db2.gz XXNVPYPLFJOIRR-OAHLLOKOSA-N 0 0 346.818 2.259 40 0 EEABRN O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccc(F)cc1F ZINC000016777950 211934745 /nfs/dbraw/zinc/93/47/45/211934745.db2.gz IUDVEYCRBJMQLU-UHFFFAOYSA-N 0 0 335.339 2.444 40 0 EEABRN O=C(NCc1cccc(COC2CCCCC2)c1)[C@@H]1CCC(=O)N1 ZINC000078917933 217147519 /nfs/dbraw/zinc/14/75/19/217147519.db2.gz DXDYCBQKLIKIKA-KRWDZBQOSA-N 0 0 330.428 2.431 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(C2CC2)n[nH]1 ZINC000078915792 217147932 /nfs/dbraw/zinc/14/79/32/217147932.db2.gz MBDLAVSJLQQWFO-LBPRGKRZSA-N 0 0 344.802 2.476 40 0 EEABRN Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000079029009 217177835 /nfs/dbraw/zinc/17/78/35/217177835.db2.gz OKPWJEOGOWLUHD-OAHLLOKOSA-N 0 0 334.322 2.062 40 0 EEABRN CC[C@@H](NC(=O)NCCOC)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000079028960 217177932 /nfs/dbraw/zinc/17/79/32/217177932.db2.gz UFNAAEZPGOIWIO-OLZOCXBDSA-N 0 0 334.338 2.463 40 0 EEABRN O=C(CCc1cccnc1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000079048729 217181469 /nfs/dbraw/zinc/18/14/69/217181469.db2.gz JSINHMSRCIBYHU-GOSISDBHSA-N 0 0 349.394 2.234 40 0 EEABRN CSc1ccc(N2CCC(NC(=O)c3occc3C)CC2)nn1 ZINC000079089431 217189458 /nfs/dbraw/zinc/18/94/58/217189458.db2.gz FHFCFWTXSVWODL-UHFFFAOYSA-N 0 0 332.429 2.499 40 0 EEABRN CCOC[C@H](O)CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000079099855 217193057 /nfs/dbraw/zinc/19/30/57/217193057.db2.gz HWZZQTKOSPVHRP-CABCVRRESA-N 0 0 344.249 2.220 40 0 EEABRN COc1cc(C2(C(=O)OCCn3ccccc3=O)CC2)ccc1C ZINC000079333471 217209929 /nfs/dbraw/zinc/20/99/29/217209929.db2.gz PVALYYCCCTTWPI-UHFFFAOYSA-N 0 0 327.380 2.440 40 0 EEABRN Cc1ccc(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)cn1 ZINC000079349303 217212150 /nfs/dbraw/zinc/21/21/50/217212150.db2.gz HKKKCKUVSGRCSP-KRWDZBQOSA-N 0 0 335.354 2.375 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)/C=C/c1cc(Br)cs1 ZINC000079603585 217243504 /nfs/dbraw/zinc/24/35/04/217243504.db2.gz YJWVGNJRPPGCFP-GKQMSVHHSA-N 0 0 341.234 2.320 40 0 EEABRN Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000081758387 217441727 /nfs/dbraw/zinc/44/17/27/217441727.db2.gz RJQWHNPNDPTNQD-DEOSSOPVSA-N 0 0 344.436 2.409 40 0 EEABRN Cc1cc(C(=O)NCCN2CCC(O)(c3ccc(C)cc3)CC2)on1 ZINC000012326453 211349248 /nfs/dbraw/zinc/34/92/48/211349248.db2.gz LSNBDUOWTBXMDQ-UHFFFAOYSA-N 0 0 343.427 2.005 40 0 EEABRN Cc1cccnc1C1(O)CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000012221594 211324263 /nfs/dbraw/zinc/32/42/63/211324263.db2.gz YRNXIEBTRPGBEJ-UHFFFAOYSA-N 0 0 328.416 2.360 40 0 EEABRN Cc1[nH]c2c(cccc2C(=O)NCCNC(=O)c2ccccn2)c1C ZINC000012204839 211320951 /nfs/dbraw/zinc/32/09/51/211320951.db2.gz GISCOSNHZJEBIF-UHFFFAOYSA-N 0 0 336.395 2.340 40 0 EEABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)NC(C)C)C2)on1 ZINC000012118397 211298383 /nfs/dbraw/zinc/29/83/83/211298383.db2.gz GBTPSSMPJWGLDT-CQSZACIVSA-N 0 0 343.431 2.144 40 0 EEABRN O=C(NCCc1nnc(-c2ccncc2)[nH]1)c1cccc2cccnc21 ZINC000012115827 211295929 /nfs/dbraw/zinc/29/59/29/211295929.db2.gz NJHDKTASROBYIP-UHFFFAOYSA-N 0 0 344.378 2.387 40 0 EEABRN O=C(NCCc1nnc(-c2cccnc2)[nH]1)c1cccc2cccnc21 ZINC000012115816 211294225 /nfs/dbraw/zinc/29/42/25/211294225.db2.gz VIVNKFMEGGQZIE-UHFFFAOYSA-N 0 0 344.378 2.387 40 0 EEABRN COc1ccc(Br)c(CN2CCCN(C(N)=O)CC2)c1 ZINC000092754102 218164120 /nfs/dbraw/zinc/16/41/20/218164120.db2.gz XEPFPVYZFHYTGW-UHFFFAOYSA-N 0 0 342.237 2.044 40 0 EEABRN COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)c(OC)c1 ZINC000010325587 211164806 /nfs/dbraw/zinc/16/48/06/211164806.db2.gz QZGMPVSMQDKGOM-AWEZNQCLSA-N 0 0 342.351 2.432 40 0 EEABRN Fc1cccnc1N1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093687631 218241716 /nfs/dbraw/zinc/24/17/16/218241716.db2.gz QIABDDNCZIFWRP-UHFFFAOYSA-N 0 0 338.390 2.328 40 0 EEABRN Cc1ccc(C2(CNC(=O)N[C@@H]3C=C[C@H](CO)C3)CCOCC2)cc1 ZINC000095406646 218342959 /nfs/dbraw/zinc/34/29/59/218342959.db2.gz PAYVYRCBGYMNMC-FUHWJXTLSA-N 0 0 344.455 2.279 40 0 EEABRN Cn1cc(Cl)cc1CNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000095416819 218355927 /nfs/dbraw/zinc/35/59/27/218355927.db2.gz JPIPKZHGERSVIH-OAHLLOKOSA-N 0 0 334.807 2.436 40 0 EEABRN Cn1cc([C@H](CO)NC(=O)NCC2(c3cccs3)CCCC2)cn1 ZINC000095441631 218386434 /nfs/dbraw/zinc/38/64/34/218386434.db2.gz MVKUIENXKPVQRE-AWEZNQCLSA-N 0 0 348.472 2.326 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c[nH]1 ZINC000095450889 218395725 /nfs/dbraw/zinc/39/57/25/218395725.db2.gz JPVRWPLWGFYGLC-LLVKDONJSA-N 0 0 349.793 2.485 40 0 EEABRN CC[C@@H]1N(C(=O)c2cccnc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052448 218544910 /nfs/dbraw/zinc/54/49/10/218544910.db2.gz CWVPACZSFCXSMI-LPHOPBHVSA-N 0 0 345.443 2.104 40 0 EEABRN O=C(c1ccccn1)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 ZINC000096058138 218550809 /nfs/dbraw/zinc/55/08/09/218550809.db2.gz AJHCYSNPOROZOV-RCCFBDPRSA-N 0 0 339.395 2.065 40 0 EEABRN Cc1nc(CN2CC[C@@]23CCN(C(=O)c2ccncc2F)C3)cs1 ZINC000096076037 218574736 /nfs/dbraw/zinc/57/47/36/218574736.db2.gz VFLSXMMUDWTUKQ-QGZVFWFLSA-N 0 0 346.431 2.476 40 0 EEABRN COCCn1cc(-c2nc(C(=O)NC3CC3)c3ccccn32)nc1C ZINC000096155095 218631001 /nfs/dbraw/zinc/63/10/01/218631001.db2.gz XTLULINODVNCFM-UHFFFAOYSA-N 0 0 339.399 2.045 40 0 EEABRN COc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1 ZINC000096183503 218646925 /nfs/dbraw/zinc/64/69/25/218646925.db2.gz WRWKYMMGOOOZRR-UHFFFAOYSA-N 0 0 336.395 2.308 40 0 EEABRN COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2cnn(C)c2C)C1 ZINC000096193065 218661695 /nfs/dbraw/zinc/66/16/95/218661695.db2.gz DVGNEEGQWRMYFP-QGZVFWFLSA-N 0 0 328.372 2.259 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227573 218704083 /nfs/dbraw/zinc/70/40/83/218704083.db2.gz AJBVVFHWDJNHNZ-APWZRJJASA-N 0 0 342.443 2.062 40 0 EEABRN CN(CC(F)(F)F)C(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000096423111 218790082 /nfs/dbraw/zinc/79/00/82/218790082.db2.gz JTSFQWYHEMXPDY-NEPJUHHUSA-N 0 0 332.297 2.066 40 0 EEABRN COc1ccc([C@H](CNc2nc(C)ns2)N2CCOCC2)cc1 ZINC000096427286 218798989 /nfs/dbraw/zinc/79/89/89/218798989.db2.gz SFEXOWDVHBPHHF-HNNXBMFYSA-N 0 0 334.445 2.341 40 0 EEABRN Cc1nsc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 ZINC000096429245 218802389 /nfs/dbraw/zinc/80/23/89/218802389.db2.gz DAWZWVIYWBGUDN-UHFFFAOYSA-N 0 0 340.474 2.488 40 0 EEABRN CN(c1nccs1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096433507 218809595 /nfs/dbraw/zinc/80/95/95/218809595.db2.gz UOTAXZXPYNJQOZ-UHFFFAOYSA-N 0 0 338.389 2.293 40 0 EEABRN Cc1cc(NC(=O)N2CCN(c3ncnc4ccsc43)CC2)no1 ZINC000096433671 218809982 /nfs/dbraw/zinc/80/99/82/218809982.db2.gz TZXAMEBJJIZDLL-UHFFFAOYSA-N 0 0 344.400 2.342 40 0 EEABRN CCC[C@H]1CN(C(=O)NCc2nc(-c3cccs3)n[nH]2)CCO1 ZINC000096485461 218861880 /nfs/dbraw/zinc/86/18/80/218861880.db2.gz BKHULYUCAFGBIB-NSHDSACASA-N 0 0 335.433 2.244 40 0 EEABRN Cc1cc(NC(=O)N[C@@H]2CCCn3ncnc32)nn1-c1ccccc1 ZINC000096490286 218868274 /nfs/dbraw/zinc/86/82/74/218868274.db2.gz FFXZSNMZDWWIFR-CQSZACIVSA-N 0 0 337.387 2.429 40 0 EEABRN O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000096496952 218875000 /nfs/dbraw/zinc/87/50/00/218875000.db2.gz FSWWDNKOPFWWPH-BRWVUGGUSA-N 0 0 328.416 2.400 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cscn3)C2)c1 ZINC000157718613 533074178 /nfs/dbraw/zinc/07/41/78/533074178.db2.gz SDYCXYRLQAEASB-GFCCVEGCSA-N 0 0 347.440 2.417 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252514243 257659814 /nfs/dbraw/zinc/65/98/14/257659814.db2.gz BKDRSCVPSOMDNX-KSZLIROESA-N 0 0 349.427 2.418 40 0 EEABRN CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@](O)(c2ccc(F)cc2)C1 ZINC000408563931 257896661 /nfs/dbraw/zinc/89/66/61/257896661.db2.gz SGUDJTTYJYIWMW-FUHWJXTLSA-N 0 0 328.343 2.313 40 0 EEABRN COC(=O)[C@H]1CN(Cc2csc(CCc3ccccc3)n2)CCO1 ZINC000096460855 533493695 /nfs/dbraw/zinc/49/36/95/533493695.db2.gz NWNVIFBQNYXPJO-MRXNPFEDSA-N 0 0 346.452 2.302 40 0 EEABRN CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 ZINC000096039471 286181591 /nfs/dbraw/zinc/18/15/91/286181591.db2.gz KLTJCFZCIMNJMN-CRAIPNDOSA-N 0 0 334.416 2.138 40 0 EEABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189478053 160142413 /nfs/dbraw/zinc/14/24/13/160142413.db2.gz FWAMQHVQMULAKI-UHFFFAOYSA-N 0 0 336.819 2.234 40 0 EEABRN Cc1cc(CNc2nc(C)nc3c2CCCC3)ccc1S(N)(=O)=O ZINC000278466031 274359870 /nfs/dbraw/zinc/35/98/70/274359870.db2.gz NCMHOPBMJJTZEI-UHFFFAOYSA-N 0 0 346.456 2.232 40 0 EEABRN CC1=C[C@@]2(C)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2N=C1 ZINC000016942150 276184121 /nfs/dbraw/zinc/18/41/21/276184121.db2.gz BTFCAJFWZGIFNV-QDEZUTFSSA-N 0 0 330.771 2.386 40 0 EEABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000253394948 278061101 /nfs/dbraw/zinc/06/11/01/278061101.db2.gz CQPCKCQYPPXOKK-PSFFPDNBSA-N 0 0 331.412 2.205 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)o1 ZINC000012407074 279073881 /nfs/dbraw/zinc/07/38/81/279073881.db2.gz QMPZAKHKCGYERW-UHFFFAOYSA-N 0 0 342.399 2.094 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257224865 279248432 /nfs/dbraw/zinc/24/84/32/279248432.db2.gz FDTBIESFIGRITQ-MJGOQNOKSA-N 0 0 343.471 2.069 40 0 EEABRN CCOCCC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408173 279679651 /nfs/dbraw/zinc/67/96/51/279679651.db2.gz OMHNISFIFPHLKC-GFCCVEGCSA-N 0 0 328.359 2.410 40 0 EEABRN Cc1cccc(N2CCC3(CC2)CN(c2ncccn2)CCO3)n1 ZINC000096063135 281226037 /nfs/dbraw/zinc/22/60/37/281226037.db2.gz HMYPPPLSDLYBQI-UHFFFAOYSA-N 0 0 325.416 2.056 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)c2cccc(C(F)(F)F)c2)CCS1(=O)=O ZINC000096412831 289012423 /nfs/dbraw/zinc/01/24/23/289012423.db2.gz MJPGBGYXZKRKMQ-VHSXEESVSA-N 0 0 335.347 2.353 40 0 EEABRN CN1CCO[C@@H]2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C[C@@H]21 ZINC000253420863 290081544 /nfs/dbraw/zinc/08/15/44/290081544.db2.gz DNCBKYSIQCQTJZ-BFHYXJOUSA-N 0 0 349.397 2.222 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)N1CCCC1)CC2 ZINC000096254727 293293858 /nfs/dbraw/zinc/29/38/58/293293858.db2.gz YNLDQQSXCZKYKV-UHFFFAOYSA-N 0 0 329.448 2.002 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000096412828 297774678 /nfs/dbraw/zinc/77/46/78/297774678.db2.gz MJPGBGYXZKRKMQ-ZJUUUORDSA-N 0 0 335.347 2.353 40 0 EEABRN C[C@@](O)(CNC(=O)c1ccccc1N1CCOCC1)c1cccs1 ZINC000096444456 297852355 /nfs/dbraw/zinc/85/23/55/297852355.db2.gz JDRFGSMVQNEDQK-GOSISDBHSA-N 0 0 346.452 2.222 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1[S@@](=O)CC ZINC000180581517 311462953 /nfs/dbraw/zinc/46/29/53/311462953.db2.gz FDHCZAXJLBKULV-RZFZLAGVSA-N 0 0 346.456 2.233 40 0 EEABRN CC[C@@H](C)n1nc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000331561139 311871872 /nfs/dbraw/zinc/87/18/72/311871872.db2.gz FWRXYDHMHCGXPR-UKRRQHHQSA-N 0 0 342.447 2.351 40 0 EEABRN CC(C)[C@@H]1N(C(=O)NCc2nn(C)cc2Cl)CC12CCOCC2 ZINC000334122683 312242545 /nfs/dbraw/zinc/24/25/45/312242545.db2.gz MPLDUCYSADWEND-AWEZNQCLSA-N 0 0 340.855 2.420 40 0 EEABRN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(Cl)c1F ZINC000097376726 323322166 /nfs/dbraw/zinc/32/21/66/323322166.db2.gz SKWIEYLQENXLSA-GFCCVEGCSA-N 0 0 338.741 2.445 40 0 EEABRN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(Cl)c1F ZINC000097376725 323322439 /nfs/dbraw/zinc/32/24/39/323322439.db2.gz SKWIEYLQENXLSA-LBPRGKRZSA-N 0 0 338.741 2.445 40 0 EEABRN C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000097377257 323322470 /nfs/dbraw/zinc/32/24/70/323322470.db2.gz RYNVRCVLFZHDNJ-LBPRGKRZSA-N 0 0 341.415 2.424 40 0 EEABRN C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188174531 323455875 /nfs/dbraw/zinc/45/58/75/323455875.db2.gz DJCWVGVHWCFUML-FWCARGHBSA-N 0 0 348.248 2.178 40 0 EEABRN C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)c1nc(-c2ccccc2)no1 ZINC000190780159 323470881 /nfs/dbraw/zinc/47/08/81/323470881.db2.gz HLWVFAFCCMPKOG-NFAWXSAZSA-N 0 0 344.415 2.252 40 0 EEABRN O=C(Nc1cc(C(F)(F)F)[nH]n1)c1csc([C@@H]2CCCO2)n1 ZINC000328776915 465125396 /nfs/dbraw/zinc/12/53/96/465125396.db2.gz CURLCZPGRBGZFM-ZETCQYMHSA-N 0 0 332.307 2.989 40 0 EEABRN CC(=O)Nc1nnc(CCS(=O)(=O)c2ccc(C)c(C)c2)s1 ZINC000000181870 462545873 /nfs/dbraw/zinc/54/58/73/462545873.db2.gz VKXIHQFNUNGAJM-UHFFFAOYSA-N 0 0 339.442 2.130 40 0 EEABRN CCOc1ccc(NC(=O)C[C@@H]2OC[C@H]3CCCCN3C2=O)cc1 ZINC000000198098 462547763 /nfs/dbraw/zinc/54/77/63/462547763.db2.gz XVIVVWPEWLTKLH-ZBFHGGJFSA-N 0 0 332.400 2.194 40 0 EEABRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436637 462548182 /nfs/dbraw/zinc/54/81/82/462548182.db2.gz PUTYAVLWAOPDIW-HNNXBMFYSA-N 0 0 342.361 2.234 40 0 EEABRN O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000085469104 462549896 /nfs/dbraw/zinc/54/98/96/462549896.db2.gz WSIRVQJILZYODM-UHOFOFEASA-N 0 0 337.847 2.400 40 0 EEABRN CC(=O)c1ccc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)cc1 ZINC000085473701 462549999 /nfs/dbraw/zinc/54/99/99/462549999.db2.gz WNGJFAMYKKTOPR-ZDUSSCGKSA-N 0 0 343.408 2.115 40 0 EEABRN CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000284390 462552291 /nfs/dbraw/zinc/55/22/91/462552291.db2.gz LZUIKYNFALEIRF-UHFFFAOYSA-N 0 0 332.425 2.355 40 0 EEABRN COc1cccc(-n2nnnc2SCC(=O)N(C(C)C)C(C)C)c1 ZINC000000415255 462560490 /nfs/dbraw/zinc/56/04/90/462560490.db2.gz QNNMXFMERSESOY-UHFFFAOYSA-N 0 0 349.460 2.408 40 0 EEABRN COc1ccc(OCc2nnc(SCC(=O)N3CCCC3)o2)cc1 ZINC000000418653 462560648 /nfs/dbraw/zinc/56/06/48/462560648.db2.gz XAPIFZRHVHIGPY-UHFFFAOYSA-N 0 0 349.412 2.372 40 0 EEABRN CCCC(=O)NC(=S)Nc1ccc(I)cn1 ZINC000000569780 462571610 /nfs/dbraw/zinc/57/16/10/462571610.db2.gz MAHSHMIHBQHZAB-UHFFFAOYSA-N 0 0 349.197 2.299 40 0 EEABRN COc1cccc([C@@H]([NH3+])[C@H](O)c2cccc(OC)c2OC)c1OC ZINC000001667019 462585389 /nfs/dbraw/zinc/58/53/89/462585389.db2.gz NQCYRUZEDDWTHR-HZPDHXFCSA-N 0 0 333.384 2.454 40 0 EEABRN Nc1ncnc(N)c1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000001749451 462586410 /nfs/dbraw/zinc/58/64/10/462586410.db2.gz VACQNFWHGMXGRM-UHFFFAOYSA-N 0 0 335.367 2.472 40 0 EEABRN COc1cccc(OCCNC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000045450602 462588874 /nfs/dbraw/zinc/58/88/74/462588874.db2.gz LXLUNYYFJOJDFF-KRWDZBQOSA-N 0 0 329.352 2.030 40 0 EEABRN O=C(CSCc1cccc(Cl)c1)NCCN1CCOCC1 ZINC000045973386 462634582 /nfs/dbraw/zinc/63/45/82/462634582.db2.gz NSFMIUHEBJKCEC-UHFFFAOYSA-N 0 0 328.865 2.022 40 0 EEABRN CCOc1ccccc1N(CC(=O)NCCC(C)C)S(C)(=O)=O ZINC000006355801 462683841 /nfs/dbraw/zinc/68/38/41/462683841.db2.gz ACMPDTGTBHMFCF-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN CCc1nnc(S[C@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)[nH]1 ZINC000006358989 462684320 /nfs/dbraw/zinc/68/43/20/462684320.db2.gz GUPGKUBRRDAZSN-SECBINFHSA-N 0 0 334.401 2.273 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)cc1 ZINC000006479486 462687039 /nfs/dbraw/zinc/68/70/39/462687039.db2.gz PSEQLEQFBRCYLY-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN O=C(CSc1ncccc1Br)N[C@@H]1CCSC1=O ZINC000089690189 462709513 /nfs/dbraw/zinc/70/95/13/462709513.db2.gz PAKYMLRTDSKROO-MRVPVSSYSA-N 0 0 347.259 2.085 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000006945042 462713912 /nfs/dbraw/zinc/71/39/12/462713912.db2.gz GQFXFKAMIJLTEO-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(C#N)cc1 ZINC000006961533 462714111 /nfs/dbraw/zinc/71/41/11/462714111.db2.gz NAZUURDDVFVAIC-NVNXTCNLSA-N 0 0 333.351 2.068 40 0 EEABRN CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC ZINC000006958535 462714406 /nfs/dbraw/zinc/71/44/06/462714406.db2.gz PPYZJFPFYUSDRD-YHYXMXQVSA-N 0 0 337.763 2.239 40 0 EEABRN CCOc1ccc(Br)cc1/C=C1/NC(=O)N(C)C1=O ZINC000006963782 462714527 /nfs/dbraw/zinc/71/45/27/462714527.db2.gz WZRMKBPVWXQLPP-JXMROGBWSA-N 0 0 325.162 2.370 40 0 EEABRN CC(C)c1cc(N2CCC(CS(N)(=O)=O)CC2)nc(C(C)C)n1 ZINC000090092549 462774883 /nfs/dbraw/zinc/77/48/83/462774883.db2.gz ZZGVKMHYADCTCJ-UHFFFAOYSA-N 0 0 340.493 2.228 40 0 EEABRN CC(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000090819381 462811835 /nfs/dbraw/zinc/81/18/35/462811835.db2.gz QPRSYVRYVZLTAT-UHFFFAOYSA-N 0 0 327.171 2.254 40 0 EEABRN CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076499883 462869436 /nfs/dbraw/zinc/86/94/36/462869436.db2.gz USUGJQRJXGAEQU-STQMWFEESA-N 0 0 330.837 2.163 40 0 EEABRN O=C(C[C@H]1CCS(=O)(=O)C1)NC1(c2cccc(Cl)c2)CC1 ZINC000076935129 462923060 /nfs/dbraw/zinc/92/30/60/462923060.db2.gz UCTFGTIBYNDEOW-LLVKDONJSA-N 0 0 327.833 2.270 40 0 EEABRN Cc1cc(O)c(C(=O)Nc2ccccc2)c(=O)n1C[C@@H]1CCCO1 ZINC000016790263 462989616 /nfs/dbraw/zinc/98/96/16/462989616.db2.gz PFXLJLPZMGUZOJ-AWEZNQCLSA-N 0 0 328.368 2.294 40 0 EEABRN CC(C)CC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1 ZINC000019446469 463018340 /nfs/dbraw/zinc/01/83/40/463018340.db2.gz PQBCRWPTSWDFLM-UHFFFAOYSA-N 0 0 341.459 2.172 40 0 EEABRN CN(C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)C1CCC1 ZINC000095408914 463078953 /nfs/dbraw/zinc/07/89/53/463078953.db2.gz DKYLUUZCZLLMHG-KRWDZBQOSA-N 0 0 329.444 2.414 40 0 EEABRN Cn1nccc1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000095463686 463089428 /nfs/dbraw/zinc/08/94/28/463089428.db2.gz YEOGSTQDFZILFW-CYBMUJFWSA-N 0 0 333.823 2.152 40 0 EEABRN COc1ccc([C@@H](N)c2nc(-c3ccccc3O)n[nH]2)cc1OC ZINC000095533797 463106505 /nfs/dbraw/zinc/10/65/05/463106505.db2.gz UWEOOMQIQWTAGZ-OAHLLOKOSA-N 0 0 326.356 2.243 40 0 EEABRN O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 ZINC000096038791 463143936 /nfs/dbraw/zinc/14/39/36/463143936.db2.gz CRCYRDFBYROJJM-RHSMWYFYSA-N 0 0 347.440 2.034 40 0 EEABRN O=C(C1CC=CC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042482 463147908 /nfs/dbraw/zinc/14/79/08/463147908.db2.gz IMCPTSZQBJWCPC-KURKYZTESA-N 0 0 328.412 2.323 40 0 EEABRN Cc1ccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)nn1 ZINC000096048453 463151629 /nfs/dbraw/zinc/15/16/29/463151629.db2.gz WRMQNZQVDWCEFL-YOEHRIQHSA-N 0 0 345.472 2.477 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC000096056603 463158414 /nfs/dbraw/zinc/15/84/14/463158414.db2.gz GQELKPPLQQCUJZ-HUUCEWRRSA-N 0 0 325.368 2.080 40 0 EEABRN c1cc(COC[C@@]23CCCO[C@@H]2CCN(c2ccncn2)C3)ccn1 ZINC000096065140 463163492 /nfs/dbraw/zinc/16/34/92/463163492.db2.gz PKAGMTBEMFIRIC-MJGOQNOKSA-N 0 0 340.427 2.464 40 0 EEABRN CCOCC(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC000096063283 463163740 /nfs/dbraw/zinc/16/37/40/463163740.db2.gz KLEVKQWLGUFMND-QFBILLFUSA-N 0 0 348.443 2.032 40 0 EEABRN O=C(c1c[nH]cn1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074731 463166711 /nfs/dbraw/zinc/16/67/11/463166711.db2.gz DCMFPICKGPGUQK-GOSISDBHSA-N 0 0 344.390 2.060 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)on1 ZINC000096107559 463175554 /nfs/dbraw/zinc/17/55/54/463175554.db2.gz ILODKZRZILOIDS-KSSFIOAISA-N 0 0 343.383 2.221 40 0 EEABRN CCOCC(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106498 463175629 /nfs/dbraw/zinc/17/56/29/463175629.db2.gz PCXUKKRHQAHPDF-MRXNPFEDSA-N 0 0 325.449 2.095 40 0 EEABRN O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096109055 463177748 /nfs/dbraw/zinc/17/77/48/463177748.db2.gz GAAODNOGTLFCAV-KDOFPFPSSA-N 0 0 344.436 2.240 40 0 EEABRN COc1ccc(C[C@H]2CN(C(=O)c3ccncn3)CC[C@H]2OC)cc1 ZINC000096110261 463178367 /nfs/dbraw/zinc/17/83/67/463178367.db2.gz OGCMTOXNGQNKTI-MAUKXSAKSA-N 0 0 341.411 2.205 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccn2)cs1 ZINC000096110750 463178874 /nfs/dbraw/zinc/17/88/74/463178874.db2.gz PEYLXUWYMLHGJQ-KBPBESRZSA-N 0 0 329.429 2.011 40 0 EEABRN COc1ccc(C(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113189 463179536 /nfs/dbraw/zinc/17/95/36/463179536.db2.gz SIEZWTYLOGGQMG-QGZVFWFLSA-N 0 0 328.368 2.010 40 0 biogenic,in-vitro EEABRN CC(C)COC1CC2(C1)CCN(S(=O)(=O)c1cn(C)cn1)CC2 ZINC000096159321 463190270 /nfs/dbraw/zinc/19/02/70/463190270.db2.gz DOWJHWSXQSBIMK-UHFFFAOYSA-N 0 0 341.477 2.026 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)no1 ZINC000096186430 463197391 /nfs/dbraw/zinc/19/73/91/463197391.db2.gz PLYZTJWMQBBLRN-HOTGVXAUSA-N 0 0 325.368 2.393 40 0 EEABRN Cn1cccc1C(=O)N[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@@H]21 ZINC000096186868 463199289 /nfs/dbraw/zinc/19/92/89/463199289.db2.gz IRUCRJXETMLAHO-ZMSDIMECSA-N 0 0 345.468 2.248 40 0 EEABRN CC(C)NC(=O)N1Cc2ccnn2C[C@H](COCc2cccnc2)C1 ZINC000096189164 463200286 /nfs/dbraw/zinc/20/02/86/463200286.db2.gz FSZOECWZLDZZJW-MRXNPFEDSA-N 0 0 343.431 2.045 40 0 EEABRN CN(Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2)Cc1ccco1 ZINC000096197474 463203072 /nfs/dbraw/zinc/20/30/72/463203072.db2.gz BPOYCKIZSVEOCH-UHFFFAOYSA-N 0 0 340.383 2.357 40 0 EEABRN O=C(c1cccs1)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 ZINC000096199729 463205492 /nfs/dbraw/zinc/20/54/92/463205492.db2.gz SJXAYHJIUFQNMH-AWEZNQCLSA-N 0 0 341.436 2.422 40 0 EEABRN O=C(c1ccoc1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202217 463206737 /nfs/dbraw/zinc/20/67/37/463206737.db2.gz XLPAMHDOIBWFNL-KRWDZBQOSA-N 0 0 347.440 2.101 40 0 EEABRN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@H]3Cc3nc(C)n[nH]3)C2)c(C)o1 ZINC000096207767 463209498 /nfs/dbraw/zinc/20/94/98/463209498.db2.gz SCDJNGXAJZDRFF-FMKPAKJESA-N 0 0 344.415 2.043 40 0 EEABRN Cc1cc(CN2CC[C@]3(C2)C[C@H](Nc2ncc(C)cn2)CCO3)no1 ZINC000096207854 463210774 /nfs/dbraw/zinc/21/07/74/463210774.db2.gz FRHPSVNRKNCMBI-CRAIPNDOSA-N 0 0 343.431 2.317 40 0 EEABRN O=C(c1ccoc1)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096208824 463212321 /nfs/dbraw/zinc/21/23/21/463212321.db2.gz CPSXZRCGFHCKSO-AEFFLSMTSA-N 0 0 328.368 2.265 40 0 EEABRN Cc1ncoc1C(=O)N1CCOC[C@@H]1c1csc(NCC2CC2)n1 ZINC000096216503 463214819 /nfs/dbraw/zinc/21/48/19/463214819.db2.gz QHSKZEZRMULVFB-CYBMUJFWSA-N 0 0 348.428 2.475 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000096222710 463218828 /nfs/dbraw/zinc/21/88/28/463218828.db2.gz MVTICBXFLWLAGW-QAPCUYQASA-N 0 0 326.400 2.286 40 0 EEABRN Cn1cc(C(=O)N2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224478 463218945 /nfs/dbraw/zinc/21/89/45/463218945.db2.gz KJQXYYSUWLRFEI-IBGZPJMESA-N 0 0 338.411 2.079 40 0 EEABRN CC(C)NC(=O)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226422 463221511 /nfs/dbraw/zinc/22/15/11/463221511.db2.gz QJIHNRAEOWNAPG-KRWDZBQOSA-N 0 0 336.411 2.010 40 0 EEABRN CC(C)CC(=O)N1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244118 463225873 /nfs/dbraw/zinc/22/58/73/463225873.db2.gz HVDNXBCLBANTKQ-LJQANCHMSA-N 0 0 344.459 2.345 40 0 EEABRN CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 ZINC000096252937 463228880 /nfs/dbraw/zinc/22/88/80/463228880.db2.gz ZGOIYYIXWRCCIQ-OWCLPIDISA-N 0 0 349.406 2.219 40 0 EEABRN CC(C)Nc1nc2c(c(N(C)C)n1)CN(Cc1ccccn1)CC2 ZINC000096254038 463229050 /nfs/dbraw/zinc/22/90/50/463229050.db2.gz TVHMFLMMSBYLIE-UHFFFAOYSA-N 0 0 326.448 2.316 40 0 EEABRN Cc1nc(C2(NC(=O)CCNC(=O)[C@H]3C[C@H]3C)CCCCCC2)no1 ZINC000096402310 463237490 /nfs/dbraw/zinc/23/74/90/463237490.db2.gz POQUSKVNSKCBEL-OCCSQVGLSA-N 0 0 348.447 2.206 40 0 EEABRN CCCn1nc(C(=O)NC2(c3nccs3)CCCC2)ccc1=O ZINC000096407323 463240439 /nfs/dbraw/zinc/24/04/39/463240439.db2.gz FDWIBHZKXPKOHR-UHFFFAOYSA-N 0 0 332.429 2.309 40 0 EEABRN C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[S@@](C)=O ZINC000096408771 463241470 /nfs/dbraw/zinc/24/14/70/463241470.db2.gz PQFMZNNGJBOLGH-DGIBIBHMSA-N 0 0 347.278 2.058 40 0 EEABRN CCOc1cc(F)ccc1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000096410605 463243563 /nfs/dbraw/zinc/24/35/63/463243563.db2.gz MKSNATKSBOAUDF-OAHLLOKOSA-N 0 0 349.410 2.382 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C(N)=O)C1 ZINC000096414418 463247476 /nfs/dbraw/zinc/24/74/76/463247476.db2.gz BGWNZTFRJLPUNY-JQWIXIFHSA-N 0 0 328.334 2.218 40 0 EEABRN CC[C@](C)(NC(=O)c1cccc(-n2cnnn2)c1)c1nc(C)cs1 ZINC000096423359 463253632 /nfs/dbraw/zinc/25/36/32/463253632.db2.gz DYHGUOYSJSOMNN-INIZCTEOSA-N 0 0 342.428 2.482 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096426909 463256047 /nfs/dbraw/zinc/25/60/47/463256047.db2.gz ORMKXCTWSNZUPQ-UHFFFAOYSA-N 0 0 349.394 2.458 40 0 EEABRN CCn1cc(S(=O)(=O)NCc2coc(-c3ccccc3)n2)cn1 ZINC000096428286 463258481 /nfs/dbraw/zinc/25/84/81/463258481.db2.gz ICEWSWQYYYDELD-UHFFFAOYSA-N 0 0 332.385 2.037 40 0 EEABRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N[C@@H](C)C(C)C ZINC000096430522 463260306 /nfs/dbraw/zinc/26/03/06/463260306.db2.gz NQGMNGUCQHLTMU-STQMWFEESA-N 0 0 341.477 2.140 40 0 EEABRN C[C@@H](CNC(=O)Cn1cccn1)Oc1cccc(Br)c1 ZINC000096431867 463261337 /nfs/dbraw/zinc/26/13/37/463261337.db2.gz YZHLHFNXVDGSHZ-NSHDSACASA-N 0 0 338.205 2.229 40 0 EEABRN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(C)c3)C2=O)cc1 ZINC000096433865 463262191 /nfs/dbraw/zinc/26/21/91/463262191.db2.gz UDADPBHFSMWETO-OAHLLOKOSA-N 0 0 327.388 2.046 40 0 EEABRN COC[C@@H]1CN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCO1 ZINC000096434897 463262429 /nfs/dbraw/zinc/26/24/29/463262429.db2.gz VZZGRHWKPZWOKZ-AWEZNQCLSA-N 0 0 333.363 2.496 40 0 EEABRN O=C(NC[C@@H](O)c1ccco1)c1cc(N2CCCC2=O)ccc1F ZINC000096436070 463263057 /nfs/dbraw/zinc/26/30/57/463263057.db2.gz OVBKGULPRUYNLB-CQSZACIVSA-N 0 0 332.331 2.009 40 0 EEABRN CCc1cc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n(C)n1 ZINC000096436595 463265061 /nfs/dbraw/zinc/26/50/61/463265061.db2.gz QDBJBUYLMOIWFH-QGZVFWFLSA-N 0 0 342.443 2.212 40 0 EEABRN CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000069516305 463265162 /nfs/dbraw/zinc/26/51/62/463265162.db2.gz FYPBNXXQDNFHNT-HNNXBMFYSA-N 0 0 338.473 2.250 40 0 EEABRN CN(C)c1ccccc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000096441431 463267238 /nfs/dbraw/zinc/26/72/38/463267238.db2.gz SYQODRXSIYEGNM-AWEZNQCLSA-N 0 0 329.366 2.348 40 0 EEABRN Cc1cc([C@@H](C)NC(=O)NC[C@](C)(O)c2cnn(C)c2)cc(C)c1F ZINC000096440890 463267346 /nfs/dbraw/zinc/26/73/46/463267346.db2.gz DAZGSAKRQGUKHX-ACJLOTCBSA-N 0 0 348.422 2.444 40 0 EEABRN C[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)Cc1cccs1 ZINC000096440848 463267487 /nfs/dbraw/zinc/26/74/87/463267487.db2.gz VUDPWALPHDIDJL-AWEZNQCLSA-N 0 0 345.472 2.249 40 0 EEABRN C[C@H]1CN=C(N2CCN(C(=O)c3scnc3Cl)CC2)S1 ZINC000096443739 463268020 /nfs/dbraw/zinc/26/80/20/463268020.db2.gz NHPJTZQOBPNFTM-QMMMGPOBSA-N 0 0 330.866 2.046 40 0 EEABRN Cc1nncn1CCNC(=O)c1csc(Cc2ccccc2F)n1 ZINC000096445311 463269335 /nfs/dbraw/zinc/26/93/35/463269335.db2.gz ZXBALRWMPDMBIG-UHFFFAOYSA-N 0 0 345.403 2.203 40 0 EEABRN CN(C)C(=O)CN(C(=O)c1cccc(-n2cccn2)n1)c1ccccc1 ZINC000096444388 463269781 /nfs/dbraw/zinc/26/97/81/463269781.db2.gz YNWXYNLWXPRQEN-UHFFFAOYSA-N 0 0 349.394 2.002 40 0 EEABRN Cc1cc(CSc2nnc(CCC(N)=O)n2C)c2ccccc2n1 ZINC000096455698 463275684 /nfs/dbraw/zinc/27/56/84/463275684.db2.gz IPQRBPMZNIROKJ-UHFFFAOYSA-N 0 0 341.440 2.382 40 0 EEABRN O=c1c2cnn(-c3ccccc3)c2nnn1Cc1cc(F)ccc1F ZINC000096466071 463278375 /nfs/dbraw/zinc/27/83/75/463278375.db2.gz RLFKGEKIZNUBOW-UHFFFAOYSA-N 0 0 339.305 2.304 40 0 EEABRN CN(c1cc(F)ccc1F)S(=O)(=O)c1cc(Cl)cnc1N ZINC000096484295 463282664 /nfs/dbraw/zinc/28/26/64/463282664.db2.gz CGLKIYQIAAFNCV-UHFFFAOYSA-N 0 0 333.747 2.421 40 0 EEABRN CC[C@H](C)n1cnc(S(=O)(=O)NC[C@H](O)c2ccccc2C)c1 ZINC000096483516 463282805 /nfs/dbraw/zinc/28/28/05/463282805.db2.gz AXKMBZDNOQKBKW-ZFWWWQNUSA-N 0 0 337.445 2.174 40 0 EEABRN CCC[C@@H]1CN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CCO1 ZINC000096485441 463283413 /nfs/dbraw/zinc/28/34/13/463283413.db2.gz FKMOWNCJCQQRJA-IAGOWNOFSA-N 0 0 343.431 2.230 40 0 EEABRN CN(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000096493278 463287714 /nfs/dbraw/zinc/28/77/14/463287714.db2.gz VUELFDDBPFKUON-KGLIPLIRSA-N 0 0 328.359 2.207 40 0 EEABRN CCc1nc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)no1 ZINC000096491987 463287758 /nfs/dbraw/zinc/28/77/58/463287758.db2.gz VOAQABBVVJTWOL-SECBINFHSA-N 0 0 327.381 2.025 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCC(F)F)c2ccccc12 ZINC000096496103 463288955 /nfs/dbraw/zinc/28/89/55/463288955.db2.gz SRBIYUNGSUZYQV-UHFFFAOYSA-N 0 0 328.340 2.342 40 0 EEABRN C[C@@H](CNC(=O)N[C@H]1CCCc2sccc21)CN1CCOCC1 ZINC000096503282 463292266 /nfs/dbraw/zinc/29/22/66/463292266.db2.gz OZECIHBHDGQVQW-ZFWWWQNUSA-N 0 0 337.489 2.393 40 0 EEABRN C[C@H](c1ccsc1)N1CCN(C(=O)NCCc2nccn2C)CC1 ZINC000096503171 463292281 /nfs/dbraw/zinc/29/22/81/463292281.db2.gz MVHKOOXHWHXKAK-CQSZACIVSA-N 0 0 347.488 2.113 40 0 EEABRN CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 ZINC000032639789 463385006 /nfs/dbraw/zinc/38/50/06/463385006.db2.gz CXVNGACCSAISMB-NWDGAFQWSA-N 0 0 330.862 2.435 40 0 EEABRN CN(C)C(=O)N1CCC(C(=O)/N=c2/sc3ccccc3n2C)CC1 ZINC000102788697 463391379 /nfs/dbraw/zinc/39/13/79/463391379.db2.gz XJJTWDVRNIGEIT-FBMGVBCBSA-N 0 0 346.456 2.061 40 0 EEABRN Cc1nn(C)c2cnn(CCCNC(=O)[C@@H]3C[C@H]3c3ccccc3)c12 ZINC000057279074 463474280 /nfs/dbraw/zinc/47/42/80/463474280.db2.gz UJHMQNSMTRXPRK-JKSUJKDBSA-N 0 0 337.427 2.388 40 0 EEABRN Cc1cc(C)n(CCNC(=O)CCn2nc(C)c3ccccc32)n1 ZINC000057279993 463474677 /nfs/dbraw/zinc/47/46/77/463474677.db2.gz GDEXPUQOZJBBMC-UHFFFAOYSA-N 0 0 325.416 2.365 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@@H]1c1ccccc1F ZINC000057355232 463480397 /nfs/dbraw/zinc/48/03/97/463480397.db2.gz WOBCHFPMJINFNQ-CJNGLKHVSA-N 0 0 336.432 2.311 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(cc1=O)CO[C@@H]2C ZINC000072342374 463510265 /nfs/dbraw/zinc/51/02/65/463510265.db2.gz YLNSELGSHQEXDD-SNVBAGLBSA-N 0 0 333.775 2.435 40 0 EEABRN CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(C)o3)ccc21 ZINC000058320773 463577280 /nfs/dbraw/zinc/57/72/80/463577280.db2.gz YBEABRBWWQDGGW-UHFFFAOYSA-N 0 0 348.424 2.318 40 0 EEABRN O=C(Nc1ccnc2ccnn21)c1ncccc1OCC(F)(F)F ZINC000084095747 463578457 /nfs/dbraw/zinc/57/84/57/463578457.db2.gz SJEFLLAREQMALN-UHFFFAOYSA-N 0 0 337.261 2.318 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCc2ccc(C)cc21 ZINC000084538870 463610219 /nfs/dbraw/zinc/61/02/19/463610219.db2.gz YBJLXNGXRBHSMT-UHFFFAOYSA-N 0 0 348.424 2.350 40 0 EEABRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000058668690 463616888 /nfs/dbraw/zinc/61/68/88/463616888.db2.gz CZGQVCUIRZJZBH-OCCSQVGLSA-N 0 0 346.456 2.226 40 0 EEABRN COc1cccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000043275543 463631515 /nfs/dbraw/zinc/63/15/15/463631515.db2.gz SOTJKOQOCYNHME-OAHLLOKOSA-N 0 0 329.352 2.030 40 0 EEABRN CCC(=O)Nc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000059363588 463642114 /nfs/dbraw/zinc/64/21/14/463642114.db2.gz XBKIWUJICVUDJQ-UHFFFAOYSA-N 0 0 327.384 2.270 40 0 EEABRN Cc1ccnc2nc(C(=O)OCc3ccc(OC(F)F)cc3)nn21 ZINC000059893197 463646440 /nfs/dbraw/zinc/64/64/40/463646440.db2.gz HBUQZKSVGBTSMC-UHFFFAOYSA-N 0 0 334.282 2.391 40 0 EEABRN C[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccnc1 ZINC000043787145 463657242 /nfs/dbraw/zinc/65/72/42/463657242.db2.gz FEJFDNIJEOJOKE-AWEZNQCLSA-N 0 0 326.400 2.380 40 0 EEABRN C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000044868169 463697056 /nfs/dbraw/zinc/69/70/56/463697056.db2.gz ADXTZLKNFCGOCF-LLVKDONJSA-N 0 0 338.454 2.206 40 0 EEABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2CCOCC2)c1 ZINC000044901190 463700217 /nfs/dbraw/zinc/70/02/17/463700217.db2.gz OKKWFJPFWYBDII-QGZVFWFLSA-N 0 0 334.460 2.218 40 0 EEABRN O[C@@H](COc1cccc2[nH]ccc21)Cn1nnc(-c2cccs2)n1 ZINC000193404528 463711339 /nfs/dbraw/zinc/71/13/39/463711339.db2.gz ZFVUADIWCGYXAD-LLVKDONJSA-N 0 0 341.396 2.323 40 0 EEABRN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000276760873 463746340 /nfs/dbraw/zinc/74/63/40/463746340.db2.gz MHFNGABNPSJEJV-XYJFISCASA-N 0 0 339.395 2.234 40 0 EEABRN O=C([O-])COc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257261946 463757582 /nfs/dbraw/zinc/75/75/82/463757582.db2.gz LJKBESZKXURKGK-HNNXBMFYSA-N 0 0 327.384 2.320 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257287016 463762502 /nfs/dbraw/zinc/76/25/02/463762502.db2.gz POCLCVFKNLMXQO-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 ZINC000257288567 463763452 /nfs/dbraw/zinc/76/34/52/463763452.db2.gz PUSIYSSIXDEOQB-HNNXBMFYSA-N 0 0 331.420 2.272 40 0 EEABRN CN(C)C(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)C2)ncn1 ZINC000257303936 463770762 /nfs/dbraw/zinc/77/07/62/463770762.db2.gz SJIPRKWQPQXHGJ-CYBMUJFWSA-N 0 0 345.472 2.090 40 0 EEABRN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@H]2CCC=CO2)C3)C1 ZINC000257309979 463771694 /nfs/dbraw/zinc/77/16/94/463771694.db2.gz UDDYDAGEKVJNBO-HUUCEWRRSA-N 0 0 344.459 2.469 40 0 EEABRN Cn1c(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc2cc(F)ccc21 ZINC000257312110 463773344 /nfs/dbraw/zinc/77/33/44/463773344.db2.gz UMONPRGPAVMOES-WMZOPIPTSA-N 0 0 332.375 2.073 40 0 EEABRN CCCO[C@H]1CCCN(C(=O)c2cncc(-c3cnc(N)nc3)c2)C1 ZINC000257310845 463773451 /nfs/dbraw/zinc/77/34/51/463773451.db2.gz UGWYLGXYSBLUQK-INIZCTEOSA-N 0 0 341.415 2.152 40 0 EEABRN CN(C(=O)CCc1ccccc1F)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257317798 463775051 /nfs/dbraw/zinc/77/50/51/463775051.db2.gz VLEYUBQAYTYUDH-JFIYKMOQSA-N 0 0 331.391 2.178 40 0 EEABRN CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)n2ccnc2n1 ZINC000257341742 463785632 /nfs/dbraw/zinc/78/56/32/463785632.db2.gz ZLTWJJDQXLMQML-SNVBAGLBSA-N 0 0 348.350 2.235 40 0 EEABRN Cc1cccc(C)c1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O ZINC000260902603 463793025 /nfs/dbraw/zinc/79/30/25/463793025.db2.gz SZEIDFBTEKLMPT-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN O=C(Nc1cccc(Cl)c1-n1cccn1)N[C@H]1CCCCNC1=O ZINC000194421316 463858729 /nfs/dbraw/zinc/85/87/29/463858729.db2.gz ROQPNXNJUGNDME-ZDUSSCGKSA-N 0 0 347.806 2.316 40 0 EEABRN CN(C)c1noc([C@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 ZINC000194508474 463874906 /nfs/dbraw/zinc/87/49/06/463874906.db2.gz KEDCTWRLALWOSL-JTQLQIEISA-N 0 0 336.342 2.434 40 0 EEABRN Cc1cccc(C[C@H](CO)NC(=O)c2snnc2C(C)(C)C)c1 ZINC000194565813 463884949 /nfs/dbraw/zinc/88/49/49/463884949.db2.gz KZGZKMNXZYEVLT-CYBMUJFWSA-N 0 0 333.457 2.477 40 0 EEABRN C[C@@H]1CN(CCN(C)C(=O)NCC(C)(C)c2ccncc2)C[C@H](C)O1 ZINC000195065723 463984248 /nfs/dbraw/zinc/98/42/48/463984248.db2.gz ZFCNQVWQOMNLKQ-IYBDPMFKSA-N 0 0 348.491 2.110 40 0 EEABRN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000172290632 464038031 /nfs/dbraw/zinc/03/80/31/464038031.db2.gz STVOVAJAPCAEJH-GFCCVEGCSA-N 0 0 348.428 2.225 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000195430235 464053526 /nfs/dbraw/zinc/05/35/26/464053526.db2.gz VCBQCCAQECWPBL-OAHLLOKOSA-N 0 0 349.456 2.435 40 0 EEABRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2cncc2C1 ZINC000195563122 464077641 /nfs/dbraw/zinc/07/76/41/464077641.db2.gz RVPHDZDELWQOQM-PKOBYXMFSA-N 0 0 341.455 2.491 40 0 EEABRN CCOC(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 ZINC000222639550 464131792 /nfs/dbraw/zinc/13/17/92/464131792.db2.gz FQLOIPNENTXSSX-UHFFFAOYSA-N 0 0 347.411 2.192 40 0 EEABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000223585105 464143549 /nfs/dbraw/zinc/14/35/49/464143549.db2.gz POUAUQXDTDGNSR-JKSUJKDBSA-N 0 0 330.457 2.429 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NCc1nccc(N2CCCC2)n1 ZINC000224151379 464148563 /nfs/dbraw/zinc/14/85/63/464148563.db2.gz JIKPDOGVXMOEER-CQSZACIVSA-N 0 0 326.400 2.161 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N[C@H](C)C(C)C)cc2sc1=O ZINC000225235640 464154125 /nfs/dbraw/zinc/15/41/25/464154125.db2.gz QBTDABPJEJNHPA-SNVBAGLBSA-N 0 0 328.459 2.406 40 0 EEABRN O=C(N[C@H]1CCN([C@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000225401445 464156817 /nfs/dbraw/zinc/15/68/17/464156817.db2.gz KLBOFHCZJPKSEK-HKUYNNGSSA-N 0 0 349.434 2.444 40 0 EEABRN CCOc1ccccc1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 ZINC000225422622 464158768 /nfs/dbraw/zinc/15/87/68/464158768.db2.gz BJALKGWIKOXMBU-AWEZNQCLSA-N 0 0 327.384 2.477 40 0 EEABRN Nc1ncnc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1Cl ZINC000225486890 464165746 /nfs/dbraw/zinc/16/57/46/464165746.db2.gz YFBKFCIKZMWCPC-UHFFFAOYSA-N 0 0 336.798 2.425 40 0 EEABRN COC(=O)c1ccc(F)c(CNC(=O)c2cn3ccnc3s2)c1 ZINC000225497753 464166665 /nfs/dbraw/zinc/16/66/65/464166665.db2.gz FUIJWSPWUWGUHI-UHFFFAOYSA-N 0 0 333.344 2.252 40 0 EEABRN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CCOCC1 ZINC000225555498 464171255 /nfs/dbraw/zinc/17/12/55/464171255.db2.gz KFSNUZLYZORLGI-ZDUSSCGKSA-N 0 0 332.322 2.217 40 0 EEABRN CCO[C@H]1C[C@@](O)(CNc2ccc3nnc(C(F)F)n3n2)C1(C)C ZINC000225592654 464173444 /nfs/dbraw/zinc/17/34/44/464173444.db2.gz SCYWCBKHIXNNAS-BJOHPYRUSA-N 0 0 341.362 2.040 40 0 EEABRN CO[C@H](C)CS(=O)(=O)NC1CCN(c2cc(C)ccc2F)CC1 ZINC000225676352 464179108 /nfs/dbraw/zinc/17/91/08/464179108.db2.gz BQYROAORESXXBE-CYBMUJFWSA-N 0 0 344.452 2.057 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@H](Oc2cnccn2)C1 ZINC000225793095 464181484 /nfs/dbraw/zinc/18/14/84/464181484.db2.gz WHAMAAYXFBACQG-VIFPVBQESA-N 0 0 338.161 2.126 40 0 EEABRN CCCC(=O)N1CCN(c2ccc(-n3cnnc3)cc2Cl)CC1 ZINC000226280560 464183730 /nfs/dbraw/zinc/18/37/30/464183730.db2.gz DLARJPNDRPVUPV-UHFFFAOYSA-N 0 0 333.823 2.369 40 0 EEABRN CC[C@H](C)c1ccc(S(=O)(=O)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000280144745 464191109 /nfs/dbraw/zinc/19/11/09/464191109.db2.gz FLAUACFNGSABKN-LBPRGKRZSA-N 0 0 345.486 2.056 40 0 EEABRN COc1ccc(CNC(=O)CN2CCCCC2=O)c(C(F)(F)F)c1 ZINC000263959992 464253430 /nfs/dbraw/zinc/25/34/30/464253430.db2.gz DHKTXTZJXOZZPH-UHFFFAOYSA-N 0 0 344.333 2.343 40 0 EEABRN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000241693923 464454281 /nfs/dbraw/zinc/45/42/81/464454281.db2.gz QIWGCZMMXFOTIN-LRDDRELGSA-N 0 0 343.427 2.187 40 0 EEABRN CCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000243444096 464459131 /nfs/dbraw/zinc/45/91/31/464459131.db2.gz NDMULAKWABGFQD-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN O=C(NCC[C@H]1CN(C2CCC2)Cc2ccnn21)c1cccnc1 ZINC000247526951 464691009 /nfs/dbraw/zinc/69/10/09/464691009.db2.gz ZRCSTXWIMBKIOB-INIZCTEOSA-N 0 0 325.416 2.007 40 0 EEABRN c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3c2cnccn2)c1 ZINC000247826216 464709447 /nfs/dbraw/zinc/70/94/47/464709447.db2.gz FWOFISCMZJKPFE-JZXOWHBKSA-N 0 0 326.400 2.072 40 0 EEABRN Cc1ncsc1CN1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000248051255 464727202 /nfs/dbraw/zinc/72/72/02/464727202.db2.gz SIDHXRZSFDWXPX-ZDUSSCGKSA-N 0 0 332.429 2.054 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000249586582 464895172 /nfs/dbraw/zinc/89/51/72/464895172.db2.gz OLHBIFSDAOLGQC-NILFDRSVSA-N 0 0 325.430 2.095 40 0 EEABRN COc1coc(C(=O)NC2(c3noc(C(C)C)n3)CCCC2)cc1=O ZINC000252485428 464963893 /nfs/dbraw/zinc/96/38/93/464963893.db2.gz GVMZIXNORMIXHI-UHFFFAOYSA-N 0 0 347.371 2.354 40 0 EEABRN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000252495463 464968226 /nfs/dbraw/zinc/96/82/26/464968226.db2.gz OQVNKDYEZKGTQH-INIZCTEOSA-N 0 0 348.809 2.223 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000252537278 464981739 /nfs/dbraw/zinc/98/17/39/464981739.db2.gz KWLCLJXLLYIGQB-MIFYACCESA-N 0 0 347.459 2.092 40 0 EEABRN COC1(CNS(=O)(=O)c2ccc(C)c(C)c2)CCSCC1 ZINC000252539443 464982272 /nfs/dbraw/zinc/98/22/72/464982272.db2.gz NZMMMRZMLLQWDL-UHFFFAOYSA-N 0 0 329.487 2.494 40 0 EEABRN CCO[C@H]1CSC2(CN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 ZINC000253386314 464997825 /nfs/dbraw/zinc/99/78/25/464997825.db2.gz WHDPINOJYVFVEG-CYBMUJFWSA-N 0 0 335.425 2.081 40 0 EEABRN COC(=O)c1cn([C@@H]2CCCN(C(=O)c3ccoc3C3CC3)C2)nn1 ZINC000253395962 465000949 /nfs/dbraw/zinc/00/09/49/465000949.db2.gz WHBZIVJZJXZILW-GFCCVEGCSA-N 0 0 344.371 2.012 40 0 EEABRN CC(=O)N1C[C@H](CCC(=O)Nc2cccn(C)c2=O)c2ccccc21 ZINC000253429413 465012721 /nfs/dbraw/zinc/01/27/21/465012721.db2.gz CZPXDSAWQIAQHR-AWEZNQCLSA-N 0 0 339.395 2.254 40 0 EEABRN Cc1noc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2c2ccccc2)n1 ZINC000253473379 465016333 /nfs/dbraw/zinc/01/63/33/465016333.db2.gz UMGCXMCMQQGEFK-BZUAXINKSA-N 0 0 327.384 2.124 40 0 EEABRN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H](O)C2=O ZINC000254759588 465019057 /nfs/dbraw/zinc/01/90/57/465019057.db2.gz VVINKEMRHIOYTI-LQKHNGSZSA-N 0 0 334.456 2.499 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@@H](Oc3nccc(C)n3)C2)o1 ZINC000306133843 466492550 /nfs/dbraw/zinc/49/25/50/466492550.db2.gz MXRRHQFFDABNMC-KRWDZBQOSA-N 0 0 339.399 2.346 40 0 EEABRN CN(C)C(=O)N1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306140596 466494682 /nfs/dbraw/zinc/49/46/82/466494682.db2.gz UYKZOGIVXDEUIM-LJQANCHMSA-N 0 0 337.427 2.122 40 0 EEABRN COC(=O)c1cc(OC(=O)c2cccc(Br)c2)nn1C ZINC000408561570 466681154 /nfs/dbraw/zinc/68/11/54/466681154.db2.gz JUDWMMCVGBUMCZ-UHFFFAOYSA-N 0 0 339.145 2.188 40 0 EEABRN Cn1ccc([C@@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n1 ZINC000390828415 467412379 /nfs/dbraw/zinc/41/23/79/467412379.db2.gz AXOUNWUXQPNYHG-CQSZACIVSA-N 0 0 337.420 2.269 40 0 EEABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)[C@H]4CCOC4)C3)C2)n1 ZINC000575405064 468141698 /nfs/dbraw/zinc/14/16/98/468141698.db2.gz RFNSESZKFZJVDO-HOCLYGCPSA-N 0 0 348.468 2.030 40 0 EEABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)n1 ZINC000575405956 468142507 /nfs/dbraw/zinc/14/25/07/468142507.db2.gz VVRCLMCIPSEBFP-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1)CO2 ZINC000575406547 468142594 /nfs/dbraw/zinc/14/25/94/468142594.db2.gz YVQMAUFRBFGIQL-VYDXJSESSA-N 0 0 342.439 2.080 40 0 EEABRN Cc1cncc(OCC[C@@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)n1 ZINC000575406305 468142874 /nfs/dbraw/zinc/14/28/74/468142874.db2.gz ZOZTZINWKNDBJY-OAHLLOKOSA-N 0 0 345.443 2.362 40 0 EEABRN O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2ccncn2)C1 ZINC000575604827 468146113 /nfs/dbraw/zinc/14/61/13/468146113.db2.gz BUZKOPQPXUFLJP-SECBINFHSA-N 0 0 338.161 2.126 40 0 EEABRN CCOC[C@@H]1CCn2cncc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585097804 468965321 /nfs/dbraw/zinc/96/53/21/468965321.db2.gz QJXPQOVIQZTTQJ-AWEZNQCLSA-N 0 0 343.383 2.063 40 0 EEABRN CCOCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)[C@H]2C ZINC000585097613 468965763 /nfs/dbraw/zinc/96/57/63/468965763.db2.gz NPVIDQAUMJLTAU-LBPRGKRZSA-N 0 0 330.388 2.120 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1 ZINC000585097497 468965772 /nfs/dbraw/zinc/96/57/72/468965772.db2.gz MJUCPRSAXWQYEF-INIZCTEOSA-N 0 0 344.415 2.329 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)c2sccc2C)C1 ZINC000585099220 468966969 /nfs/dbraw/zinc/96/69/69/468966969.db2.gz VYNYZZMQGXPEKI-ZDUSSCGKSA-N 0 0 331.441 2.266 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000585103219 468970991 /nfs/dbraw/zinc/97/09/91/468970991.db2.gz SGMWDBJVBKMXIS-YLJYHZDGSA-N 0 0 344.455 2.011 40 0 EEABRN Cc1ccc(CN2CC3(C2)CC[C@H](CNC(=O)N2CCCC2)CO3)o1 ZINC000585105285 468972041 /nfs/dbraw/zinc/97/20/41/468972041.db2.gz SFTMOAASBPEIJA-MRXNPFEDSA-N 0 0 347.459 2.374 40 0 EEABRN CN(C)C(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 ZINC000585112205 468975048 /nfs/dbraw/zinc/97/50/48/468975048.db2.gz LGXNMPQFHMPPHR-CYBMUJFWSA-N 0 0 333.461 2.163 40 0 EEABRN O=C(CC1CC1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111179 468975082 /nfs/dbraw/zinc/97/50/82/468975082.db2.gz HXDCSYSIQHOMNJ-KRWDZBQOSA-N 0 0 325.412 2.462 40 0 EEABRN CC(C)c1c(C(=O)N2CCn3nccc3C2)cnn1-c1ccccn1 ZINC000585141320 468989751 /nfs/dbraw/zinc/98/97/51/468989751.db2.gz SOYARALFCUAGOO-UHFFFAOYSA-N 0 0 336.399 2.243 40 0 EEABRN Cc1nc(-c2ccc(C(=O)N[C@H]3C(=O)NCC3(C)C)cc2)cs1 ZINC000585141056 468990777 /nfs/dbraw/zinc/99/07/77/468990777.db2.gz OZJTXYOASVOWCO-AWEZNQCLSA-N 0 0 329.425 2.373 40 0 EEABRN Cc1ccc(OC[C@]2(O)CCCN(Cc3cnc(C)nc3)C2)cc1 ZINC000585269445 468997822 /nfs/dbraw/zinc/99/78/22/468997822.db2.gz UWJVGQCMRHAMOJ-IBGZPJMESA-N 0 0 327.428 2.499 40 0 EEABRN CC(=O)N[C@H]1CCCN(Cc2cc[nH]n2)[C@H]1Cc1cccc(F)c1 ZINC000585274346 468999411 /nfs/dbraw/zinc/99/94/11/468999411.db2.gz JGFRUUNDXXYBCY-ROUUACIJSA-N 0 0 330.407 2.261 40 0 EEABRN CO[C@]1(COc2cccc(F)c2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585275326 468999753 /nfs/dbraw/zinc/99/97/53/468999753.db2.gz ANNZQWLPHYQECH-GOSISDBHSA-N 0 0 347.390 2.178 40 0 EEABRN Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cs1 ZINC000585290311 469012214 /nfs/dbraw/zinc/01/22/14/469012214.db2.gz QGVCYUIFNDBEOJ-QJGZVHSTSA-N 0 0 346.456 2.274 40 0 EEABRN COC(=O)c1sccc1S(=O)(=O)N(C)CCc1cccs1 ZINC000173875121 534416466 /nfs/dbraw/zinc/41/64/66/534416466.db2.gz QSRRUGTWNCEIOZ-UHFFFAOYSA-N 0 0 345.467 2.459 40 0 EEABRN Fc1cnc(N2CC3(C2)OCC[C@H]3CCOc2cccnc2)nc1 ZINC000247503461 526421614 /nfs/dbraw/zinc/42/16/14/526421614.db2.gz GFTAZCQFAZPYLR-CYBMUJFWSA-N 0 0 330.363 2.075 40 0 EEABRN O=C(CSc1ccc(F)cc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 ZINC000245093468 527035006 /nfs/dbraw/zinc/03/50/06/527035006.db2.gz ROUWVEAAEVDDLJ-BPLDGKMQSA-N 0 0 325.405 2.371 40 0 EEABRN CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032951864 528065669 /nfs/dbraw/zinc/06/56/69/528065669.db2.gz RAXWLBKTVDVTFV-GJZGRUSLSA-N 0 0 338.473 2.392 40 0 EEABRN CCOc1cc(NC2CCN(C(=O)c3csnc3C)CC2)ncn1 ZINC000184180747 528325399 /nfs/dbraw/zinc/32/53/99/528325399.db2.gz YPZBVLVBTJDFQX-UHFFFAOYSA-N 0 0 347.444 2.357 40 0 EEABRN CCOC(=O)c1csc(C2CCN(Cc3noc(C)n3)CC2)n1 ZINC000191574736 528333342 /nfs/dbraw/zinc/33/33/42/528333342.db2.gz HKPMFJNPSRANOQ-UHFFFAOYSA-N 0 0 336.417 2.391 40 0 EEABRN CC(C)n1ncc2ccc(NC(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000171319859 528669026 /nfs/dbraw/zinc/66/90/26/528669026.db2.gz ULZFNRBQCQCZLQ-AWEZNQCLSA-N 0 0 329.404 2.407 40 0 EEABRN CCCCc1nc(CN2CCO[C@@H](c3nccnc3N(C)C)C2)c[nH]1 ZINC000257222575 535102936 /nfs/dbraw/zinc/10/29/36/535102936.db2.gz DTVDGJFCRBJTRM-OAHLLOKOSA-N 0 0 344.463 2.182 40 0 EEABRN CCCCc1nc(CN2CCOC[C@H]2c2nc(C)cc(NC)n2)c[nH]1 ZINC000257270920 535103234 /nfs/dbraw/zinc/10/32/34/535103234.db2.gz MWEUFGJNLJYNGZ-HNNXBMFYSA-N 0 0 344.463 2.466 40 0 EEABRN COCCNC(=S)Nc1nc(C)cc(N2Cc3ccccc3C2)n1 ZINC000225899285 536892582 /nfs/dbraw/zinc/89/25/82/536892582.db2.gz TVYYJABGQOGJND-UHFFFAOYSA-N 0 0 343.456 2.238 40 0 EEABRN Cc1cc(C(F)(F)F)nn1CCNc1cc(C)nc2ncnn21 ZINC000895426318 684595359 /nfs/dbraw/zinc/59/53/59/684595359.db2.gz SWGHJOPYTIAECN-UHFFFAOYSA-N 0 0 325.298 2.069 40 0 EEABRN COc1ccnc(N2Cc3ccccc3OC3(CCOCC3)C2)n1 ZINC000895579445 684653145 /nfs/dbraw/zinc/65/31/45/684653145.db2.gz UMXRGAODQZYOOP-UHFFFAOYSA-N 0 0 327.384 2.433 40 0 EEABRN FC(F)(F)c1ccc(N2CC(Nc3nccn4cnnc34)C2)cc1 ZINC000895813747 684734219 /nfs/dbraw/zinc/73/42/19/684734219.db2.gz GAQGPPIUKDZONG-UHFFFAOYSA-N 0 0 334.305 2.444 40 0 EEABRN COc1ccc(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C)c1 ZINC000820746749 786460725 /nfs/dbraw/zinc/46/07/25/786460725.db2.gz IOUSNNBJKZGWLW-GOSISDBHSA-N 0 0 344.455 2.309 40 0 EEABRN Cc1csc(=O)n1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316189 214369054 /nfs/dbraw/zinc/36/90/54/214369054.db2.gz VORQOEQIUUOOBV-CYBMUJFWSA-N 0 0 341.477 2.207 40 0 EEABRN COc1ccc(C2(CNC(=O)NC[C@H]3CCCO3)CCOCC2)cc1 ZINC000056528971 214378177 /nfs/dbraw/zinc/37/81/77/214378177.db2.gz UDSZLUQFFPBZSG-QGZVFWFLSA-N 0 0 348.443 2.222 40 0 EEABRN Cc1cc(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)no1 ZINC000098110280 219083784 /nfs/dbraw/zinc/08/37/84/219083784.db2.gz FCGKNSKJQFQFON-UHFFFAOYSA-N 0 0 337.401 2.312 40 0 EEABRN CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)CC(=O)C[C@@]1(C)O ZINC000004416618 210190473 /nfs/dbraw/zinc/19/04/73/210190473.db2.gz MBDQYCYEBOCOMV-QANKJYHBSA-N 0 0 336.384 2.081 40 0 EEABRN CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@@H]2[C@]1(C)CO ZINC000004259949 210154607 /nfs/dbraw/zinc/15/46/07/210154607.db2.gz QRBNTHMOKYASFF-OMYOZJEQSA-N 0 0 339.432 2.242 40 0 biogenic,in-vitro EEABRN COC(=O)c1c(NC(=O)C(C)C)sc2c1[C@H](C(=O)OC)CC2 ZINC000004194032 210143902 /nfs/dbraw/zinc/14/39/02/210143902.db2.gz QEDNHPSYAMZPSO-MRVPVSSYSA-N 0 0 325.386 2.332 40 0 EEABRN O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@H]1Cn1ccnc1 ZINC000178297117 232128840 /nfs/dbraw/zinc/12/88/40/232128840.db2.gz TVWWYQQKVKVARN-INIZCTEOSA-N 0 0 337.387 2.160 40 0 EEABRN CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCOC ZINC000004161563 210134995 /nfs/dbraw/zinc/13/49/95/210134995.db2.gz YZLKJTVQDVKWJB-UHFFFAOYSA-N 0 0 349.456 2.003 40 0 EEABRN Cc1cc(C)cc(NC(=O)C[C@@H]([NH2+]Cc2cccnc2)C(=O)[O-])c1 ZINC000004139459 210130691 /nfs/dbraw/zinc/13/06/91/210130691.db2.gz GSBGSIOYTBTXPI-MRXNPFEDSA-N 0 0 327.384 2.270 40 0 EEABRN COC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000044449869 213625133 /nfs/dbraw/zinc/62/51/33/213625133.db2.gz HXCPFTQLVZZBDE-UHFFFAOYSA-N 0 0 339.457 2.049 40 0 EEABRN COC(=O)CN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O ZINC000205753825 539656580 /nfs/dbraw/zinc/65/65/80/539656580.db2.gz MZVCNODQDDKQBY-NTUHNPAUSA-N 0 0 330.365 2.388 40 0 EEABRN CC(=O)Nc1cccc(CNC(=O)NCCc2nc(C(C)C)no2)c1 ZINC000069072781 215358280 /nfs/dbraw/zinc/35/82/80/215358280.db2.gz IHXLWSCVLLXNDV-UHFFFAOYSA-N 0 0 345.403 2.193 40 0 EEABRN CCc1nnc([C@H]2CN(c3ncnc4ccc(F)cc43)CCO2)o1 ZINC000447804210 539962092 /nfs/dbraw/zinc/96/20/92/539962092.db2.gz DVYOLMXCIYNYGO-CYBMUJFWSA-N 0 0 329.335 2.292 40 0 EEABRN CC(C)(CO)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387652 213295954 /nfs/dbraw/zinc/29/59/54/213295954.db2.gz REDOAIOYYLUOKA-UHFFFAOYSA-N 0 0 334.379 2.439 40 0 EEABRN Cc1nc(CN(C)C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)no1 ZINC000183335196 235015313 /nfs/dbraw/zinc/01/53/13/235015313.db2.gz HMURZQYKYFWSIF-CYBMUJFWSA-N 0 0 348.790 2.043 40 0 EEABRN CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1F ZINC000000903303 209694910 /nfs/dbraw/zinc/69/49/10/209694910.db2.gz MYUSYZYQWKYVDI-UHFFFAOYSA-N 0 0 340.358 2.103 40 0 EEABRN c1ccc(Cn2nnnc2CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000035310876 213019030 /nfs/dbraw/zinc/01/90/30/213019030.db2.gz IDIGIIOPIQNQRX-UHFFFAOYSA-N 0 0 348.454 2.039 40 0 EEABRN Cn1nc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1OC(F)F ZINC000189656353 237110641 /nfs/dbraw/zinc/11/06/41/237110641.db2.gz YORIKGJGXFRELE-JTQLQIEISA-N 0 0 341.318 2.162 40 0 EEABRN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@]2(C3)Nc3ccccc3C(=O)N2)cn1 ZINC000072327461 216152114 /nfs/dbraw/zinc/15/21/14/216152114.db2.gz BPKPAEXIKLOJKT-LIVBEALHSA-N 0 0 348.406 2.319 40 0 EEABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)c1 ZINC000072322108 216150415 /nfs/dbraw/zinc/15/04/15/216150415.db2.gz GDEAFWUCTDZWAB-KRWDZBQOSA-N 0 0 339.399 2.382 40 0 biogenic,in-vitro EEABRN Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360045 216165591 /nfs/dbraw/zinc/16/55/91/216165591.db2.gz TUXYBUWJWROIPW-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN O=C(c1ccncc1)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 ZINC000072337326 216157829 /nfs/dbraw/zinc/15/78/29/216157829.db2.gz SKIVFQWYNCFOPB-UUVAVEHKSA-N 0 0 327.359 2.271 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2)ncc1C(N)=O ZINC000072345403 216159400 /nfs/dbraw/zinc/15/94/00/216159400.db2.gz OWAIVVYLWPHSLM-INIZCTEOSA-N 0 0 338.411 2.180 40 0 EEABRN COCC(=O)N1CCC(Cc2cccc(Nc3ncccn3)n2)CC1 ZINC000072355028 216164136 /nfs/dbraw/zinc/16/41/36/216164136.db2.gz MIJPIHUYQQFJPQ-UHFFFAOYSA-N 0 0 341.415 2.043 40 0 EEABRN NC(=O)CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072367828 216174510 /nfs/dbraw/zinc/17/45/10/216174510.db2.gz WEHXGFLHKAQXAR-ZDUSSCGKSA-N 0 0 330.819 2.462 40 0 EEABRN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379179 216180767 /nfs/dbraw/zinc/18/07/67/216180767.db2.gz CMFGIYCBBHRECL-OAHLLOKOSA-N 0 0 348.410 2.386 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2C(C)C)n1 ZINC000072378467 216181016 /nfs/dbraw/zinc/18/10/16/216181016.db2.gz XWOXKTUCWOADIY-CQSZACIVSA-N 0 0 329.404 2.096 40 0 EEABRN CS(=O)(=O)Cc1nc(COc2cccc(-n3ccnc3)c2)cs1 ZINC000072674233 216289964 /nfs/dbraw/zinc/28/99/64/216289964.db2.gz CLNMQTFQJDUFDP-UHFFFAOYSA-N 0 0 349.437 2.452 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206712 283641877 /nfs/dbraw/zinc/64/18/77/283641877.db2.gz QVCZZSTVKSYMMD-LBPRGKRZSA-N 0 0 330.409 2.186 40 0 EEABRN CCOC(=O)C1(C(=O)N2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000073229401 216366738 /nfs/dbraw/zinc/36/67/38/216366738.db2.gz XPAHMFAVTSLSDX-UHFFFAOYSA-N 0 0 348.418 2.203 40 0 EEABRN Cc1c(C(=O)Nc2cccn(C)c2=O)cnn1-c1ccccc1F ZINC000074019785 216446321 /nfs/dbraw/zinc/44/63/21/216446321.db2.gz HOEDJVYLSINPJG-UHFFFAOYSA-N 0 0 326.331 2.271 40 0 EEABRN CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277116 212287675 /nfs/dbraw/zinc/28/76/75/212287675.db2.gz VDQYXTXHGZYQGC-UHFFFAOYSA-N 0 0 336.388 2.075 40 0 EEABRN COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000195578096 241024454 /nfs/dbraw/zinc/02/44/54/241024454.db2.gz AWYOKCDKYRIKIL-SWLSCSKDSA-N 0 0 336.775 2.103 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)o2)cc1 ZINC000223408324 241647840 /nfs/dbraw/zinc/64/78/40/241647840.db2.gz YEUJZIFBJBLMGJ-UHFFFAOYSA-N 0 0 348.424 2.301 40 0 EEABRN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000225750632 242016632 /nfs/dbraw/zinc/01/66/32/242016632.db2.gz CAYWWBFBTGMYHQ-INIZCTEOSA-N 0 0 348.424 2.266 40 0 EEABRN COc1nc(NCc2nnc(C3CC3)o2)nc(N2CCCCCC2)n1 ZINC000242302431 243017748 /nfs/dbraw/zinc/01/77/48/243017748.db2.gz YSOHDNPERKFSAC-UHFFFAOYSA-N 0 0 345.407 2.133 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)o1 ZINC000247903083 243477586 /nfs/dbraw/zinc/47/75/86/243477586.db2.gz JCHLDIZSUPUTMH-AWEZNQCLSA-N 0 0 328.368 2.436 40 0 EEABRN CC(C)SCCSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C ZINC000252511163 243844231 /nfs/dbraw/zinc/84/42/31/243844231.db2.gz ZVMFIOBOYQMCDJ-LLVKDONJSA-N 0 0 349.547 2.026 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)cn1 ZINC000253427197 243967297 /nfs/dbraw/zinc/96/72/97/243967297.db2.gz JZKALPRFZBQARW-UHFFFAOYSA-N 0 0 344.751 2.462 40 0 EEABRN Cc1ccnc(O[C@H]2CCOC3(CN(C(=O)c4cccs4)C3)C2)n1 ZINC000253478022 243999177 /nfs/dbraw/zinc/99/91/77/243999177.db2.gz ITWRZFDBMFYTKN-ZDUSSCGKSA-N 0 0 345.424 2.299 40 0 EEABRN Cc1nnc(N2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)s1 ZINC000253600141 244032866 /nfs/dbraw/zinc/03/28/66/244032866.db2.gz FUNXIGPSDHYCIG-ZDUSSCGKSA-N 0 0 346.460 2.042 40 0 EEABRN Cc1cccc(N2CCC[C@H](NC(=O)c3ccc4n[nH]nc4c3)C2)n1 ZINC000257208836 244142027 /nfs/dbraw/zinc/14/20/27/244142027.db2.gz BNTQLTHPKIMJPH-AWEZNQCLSA-N 0 0 336.399 2.060 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257209377 244147590 /nfs/dbraw/zinc/14/75/90/244147590.db2.gz BQDNXQONYHPWSU-OAHLLOKOSA-N 0 0 337.383 2.213 40 0 EEABRN O=C(CCn1nnc2ccccc21)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257210511 244149119 /nfs/dbraw/zinc/14/91/19/244149119.db2.gz BUYOQEKSMHBALL-AWEZNQCLSA-N 0 0 338.415 2.026 40 0 EEABRN Cc1cccc(Nc2cccc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 ZINC000257214347 244160604 /nfs/dbraw/zinc/16/06/04/244160604.db2.gz CLQUBVITAOBSRV-CQSZACIVSA-N 0 0 326.400 2.227 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 ZINC000257215057 244164868 /nfs/dbraw/zinc/16/48/68/244164868.db2.gz COMBEOQVTRVUSB-LBPRGKRZSA-N 0 0 331.445 2.309 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257215858 244166582 /nfs/dbraw/zinc/16/65/82/244166582.db2.gz CRZADVAUUYPXEX-OAHLLOKOSA-N 0 0 345.374 2.162 40 0 EEABRN Cc1cc(CC[C@@H]2CCCN2C(=O)c2cc(C)nc(=O)[nH]2)ccn1 ZINC000257216678 244170866 /nfs/dbraw/zinc/17/08/66/244170866.db2.gz CVQXEDKKBOXZNC-HNNXBMFYSA-N 0 0 326.400 2.431 40 0 EEABRN CC(=O)N[C@@]1(C)C[C@@H](c2cccc(O)c2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257225471 244197155 /nfs/dbraw/zinc/19/71/55/244197155.db2.gz FGIPNRUBYVEVSW-ZRSRNVLSSA-N 0 0 331.412 2.444 40 0 EEABRN CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3cnco3)CC2)cn1 ZINC000257227153 244203988 /nfs/dbraw/zinc/20/39/88/244203988.db2.gz FNXWMEVDRIAKJV-ZDUSSCGKSA-N 0 0 329.404 2.016 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257231464 244213341 /nfs/dbraw/zinc/21/33/41/244213341.db2.gz GGUKLGJPWRCNRN-BFYDXBDKSA-N 0 0 330.384 2.382 40 0 EEABRN Cc1cncc([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 ZINC000257232118 244215547 /nfs/dbraw/zinc/21/55/47/244215547.db2.gz GJMIAEAMZCEAPJ-INIZCTEOSA-N 0 0 348.410 2.386 40 0 EEABRN Nc1cccc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257238576 244234748 /nfs/dbraw/zinc/23/47/48/244234748.db2.gz HLQWQWLGJQOQHZ-QGZVFWFLSA-N 0 0 337.379 2.040 40 0 EEABRN CCc1nccn1CC(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257242941 244246678 /nfs/dbraw/zinc/24/66/78/244246678.db2.gz IEUXDZGZTLUCLR-HNNXBMFYSA-N 0 0 338.415 2.242 40 0 EEABRN CCc1nccn1CC(=O)N1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257254011 244276167 /nfs/dbraw/zinc/27/61/67/244276167.db2.gz KBFOBSZDUHYUCS-HNNXBMFYSA-N 0 0 338.415 2.242 40 0 EEABRN O=S(=O)(C1CCCC1)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257255375 244279455 /nfs/dbraw/zinc/27/94/55/244279455.db2.gz KHENNBZYDSFBKU-CYBMUJFWSA-N 0 0 334.445 2.410 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257264470 244356534 /nfs/dbraw/zinc/35/65/34/244356534.db2.gz LUNDAWGOGHYHMB-MRXNPFEDSA-N 0 0 326.400 2.021 40 0 EEABRN CCCn1cc(C(=O)N2CCC[C@]2(C)c2nc(C)cc(N)n2)cn1 ZINC000257272608 244384223 /nfs/dbraw/zinc/38/42/23/244384223.db2.gz NDBAGSBPFTZOCA-QGZVFWFLSA-N 0 0 328.420 2.125 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)on1 ZINC000257288762 244429101 /nfs/dbraw/zinc/42/91/01/244429101.db2.gz PVNFBRHAFCEPLT-MRXNPFEDSA-N 0 0 344.415 2.137 40 0 EEABRN COc1ccc(C(=O)N2CCOCC2)nc1NCc1ccccc1 ZINC000019872909 212077422 /nfs/dbraw/zinc/07/74/22/212077422.db2.gz HVWZLPFHYBETAY-UHFFFAOYSA-N 0 0 327.384 2.175 40 0 EEABRN Clc1nc(NCCN2CCOCC2)nc(NC2CCCCC2)n1 ZINC000019855616 212076437 /nfs/dbraw/zinc/07/64/37/212076437.db2.gz WSURVYOKMIBKLO-UHFFFAOYSA-N 0 0 340.859 2.014 40 0 EEABRN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257335482 244560562 /nfs/dbraw/zinc/56/05/62/244560562.db2.gz YKIDWCAEOLWTHP-INIZCTEOSA-N 0 0 343.427 2.028 40 0 EEABRN Cc1[nH]c2cccc(C(=O)N3CC(C(=O)NCC4CC4)C3)c2c1C ZINC000019747458 212061236 /nfs/dbraw/zinc/06/12/36/212061236.db2.gz QIHDGKUPUFHDMV-UHFFFAOYSA-N 0 0 325.412 2.383 40 0 EEABRN Cc1ncsc1C(=O)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019562020 212042456 /nfs/dbraw/zinc/04/24/56/212042456.db2.gz GZUDGLQTAWJZHZ-LLVKDONJSA-N 0 0 340.408 2.318 40 0 EEABRN CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cccnc2C)[nH]c1=O ZINC000019521602 212036436 /nfs/dbraw/zinc/03/64/36/212036436.db2.gz FRXGSRDMXSHTCK-HNNXBMFYSA-N 0 0 326.400 2.321 40 0 EEABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(N)=O)C1 ZINC000019498420 212033736 /nfs/dbraw/zinc/03/37/36/212033736.db2.gz DFBWANKHGANJFI-FQEVSTJZSA-N 0 0 337.423 2.405 40 0 EEABRN Cc1nnnn1-c1cccc(NC(=O)NCc2ccccc2F)c1 ZINC000045690005 213749671 /nfs/dbraw/zinc/74/96/71/213749671.db2.gz NWPORAARUOVSAT-UHFFFAOYSA-N 0 0 326.335 2.432 40 0 EEABRN Cc1c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3c2cccc3C)cnn1C ZINC000019236655 212006973 /nfs/dbraw/zinc/00/69/73/212006973.db2.gz DHYHEMSRYIYRRH-LBPRGKRZSA-N 0 0 346.456 2.428 40 0 EEABRN Cc1ccc2[nH]c(C(=O)N3CCN(C4CCCCC4)C(=O)C3)nc2c1 ZINC000019219656 212005376 /nfs/dbraw/zinc/00/53/76/212005376.db2.gz FLDRQQIYDRBCLI-UHFFFAOYSA-N 0 0 340.427 2.488 40 0 EEABRN CCOCCOC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000078411134 217050224 /nfs/dbraw/zinc/05/02/24/217050224.db2.gz NJZUKORJDODVHI-HNNXBMFYSA-N 0 0 348.424 2.263 40 0 EEABRN CCCOc1cccc(OC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000078442719 217054002 /nfs/dbraw/zinc/05/40/02/217054002.db2.gz NUOZTMDDSXLHJK-ZDUSSCGKSA-N 0 0 341.429 2.052 40 0 EEABRN Cc1ccccc1C1(CNC(=O)N2CCOC[C@@H]2C[C@@H](C)O)CC1 ZINC000135070059 223546923 /nfs/dbraw/zinc/54/69/23/223546923.db2.gz MOZPUCJKEGPKEX-CVEARBPZSA-N 0 0 332.444 2.208 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1cncc(F)c1 ZINC000078499384 217063375 /nfs/dbraw/zinc/06/33/75/217063375.db2.gz JMLGIXUJNOSKRY-LXXRFIIISA-N 0 0 340.354 2.360 40 0 EEABRN COc1ccc(C[S@](=O)[C@H](C)C(=O)Nc2cc(C)no2)cc1F ZINC000078556192 217076265 /nfs/dbraw/zinc/07/62/65/217076265.db2.gz MSVQSMGLWUWWHY-DJNLSKAYSA-N 0 0 340.376 2.407 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)cc1 ZINC000078556732 217077164 /nfs/dbraw/zinc/07/71/64/217077164.db2.gz VXRHILIYBTYLJF-UHFFFAOYSA-N 0 0 330.369 2.077 40 0 EEABRN C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)CC1CCCCC1 ZINC000078556410 217077518 /nfs/dbraw/zinc/07/75/18/217077518.db2.gz ZQQLXBHAOOHJIO-MGPQQGTHSA-N 0 0 331.478 2.006 40 0 EEABRN O=C(NCCn1ccnc1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000078657485 217097291 /nfs/dbraw/zinc/09/72/91/217097291.db2.gz DYZQNWVNCYJGGE-UHFFFAOYSA-N 0 0 346.391 2.286 40 0 EEABRN Brc1csc(-c2noc(CCn3cncn3)n2)c1 ZINC000078774495 217118674 /nfs/dbraw/zinc/11/86/74/217118674.db2.gz GSNLUSPPPLJTED-UHFFFAOYSA-N 0 0 326.179 2.395 40 0 EEABRN CCc1nnsc1C(=O)NCCc1nc2c(cccc2F)n1C ZINC000078777147 217119628 /nfs/dbraw/zinc/11/96/28/217119628.db2.gz DTEZKBPVDCMLRZ-UHFFFAOYSA-N 0 0 333.392 2.099 40 0 EEABRN COc1ccc(C2=CCN(CC(=O)NCc3cccnc3)CC2)cc1 ZINC000078921920 217148804 /nfs/dbraw/zinc/14/88/04/217148804.db2.gz HJBZOAQBHLNDTJ-UHFFFAOYSA-N 0 0 337.423 2.496 40 0 EEABRN Cc1noc([C@H](C)OC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000078986031 217165533 /nfs/dbraw/zinc/16/55/33/217165533.db2.gz CJBOLQBELFMXPX-WFASDCNBSA-N 0 0 343.383 2.216 40 0 EEABRN CSc1ccc(C(=O)N2CCC(C(=O)Nc3ncccn3)CC2)o1 ZINC000078996235 217168458 /nfs/dbraw/zinc/16/84/58/217168458.db2.gz XIIIZHUNQBAPMH-UHFFFAOYSA-N 0 0 346.412 2.282 40 0 EEABRN Cc1nc(CN2CCN(C(=O)c3ccccc3OC(C)C)CC2)no1 ZINC000079001493 217171476 /nfs/dbraw/zinc/17/14/76/217171476.db2.gz SEQASAGEUGUDFZ-UHFFFAOYSA-N 0 0 344.415 2.123 40 0 EEABRN C[C@](O)(CNC(=O)NCCc1cn2ccccc2n1)c1ccccc1 ZINC000079349245 217212252 /nfs/dbraw/zinc/21/22/52/217212252.db2.gz WHIRARYUVOHRJU-IBGZPJMESA-N 0 0 338.411 2.084 40 0 EEABRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000079320638 217208443 /nfs/dbraw/zinc/20/84/43/217208443.db2.gz NHTZKDQNAXNCKB-CYBMUJFWSA-N 0 0 330.432 2.078 40 0 EEABRN COCCN(C)C(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C ZINC000079675903 217247823 /nfs/dbraw/zinc/24/78/23/217247823.db2.gz WCMPSPWDNZYXPG-UHFFFAOYSA-N 0 0 331.420 2.121 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCC1CCC2(CC1)OCCO2 ZINC000080630071 217321129 /nfs/dbraw/zinc/32/11/29/217321129.db2.gz WDZPUZUDEZAVET-UHFFFAOYSA-N 0 0 325.430 2.039 40 0 EEABRN Cc1ccc2oc(C(=O)N3CCN(Cc4cccnc4)CC3)cc2n1 ZINC000264316307 246341719 /nfs/dbraw/zinc/34/17/19/246341719.db2.gz WFUKSKUHHLAXTH-UHFFFAOYSA-N 0 0 336.395 2.489 40 0 EEABRN Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)[C@@H]2CCCO2)on1 ZINC000012337747 211350763 /nfs/dbraw/zinc/35/07/63/211350763.db2.gz DJGNALPPFCAJGX-HNNXBMFYSA-N 0 0 344.415 2.401 40 0 EEABRN CC(=O)c1cc(C(=O)NCCc2nnc(-c3cccnc3)[nH]2)cs1 ZINC000012191821 211316223 /nfs/dbraw/zinc/31/62/23/211316223.db2.gz MPGDGCHKNFBFSL-UHFFFAOYSA-N 0 0 341.396 2.103 40 0 EEABRN CCn1c2ccccc2nc1N1CCC(C(=O)NCCCOC)CC1 ZINC000012221310 211324388 /nfs/dbraw/zinc/32/43/88/211324388.db2.gz AOCKTUNQHPZDAH-UHFFFAOYSA-N 0 0 344.459 2.425 40 0 EEABRN COc1cc(Br)c(CN2CCC[C@H]2CO)c(OC)c1 ZINC000092455670 218142696 /nfs/dbraw/zinc/14/26/96/218142696.db2.gz KOGSHKIMXHYSOC-JTQLQIEISA-N 0 0 330.222 2.423 40 0 EEABRN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCN(c2ncccn2)CC1 ZINC000095415735 218353953 /nfs/dbraw/zinc/35/39/53/218353953.db2.gz PLHBVZMDXWEFPX-INIZCTEOSA-N 0 0 349.442 2.331 40 0 EEABRN CC(=O)Nc1ccc(OC[C@@H](O)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000095438760 218382312 /nfs/dbraw/zinc/38/23/12/218382312.db2.gz VEIVAALTJYQBFN-LBPRGKRZSA-N 0 0 343.305 2.300 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096039108 218520755 /nfs/dbraw/zinc/52/07/55/218520755.db2.gz ZTKSOVXGYCGTCI-HOTGVXAUSA-N 0 0 343.420 2.032 40 0 EEABRN c1ccc(COC[C@]23CCCO[C@H]2CCN(c2ncccn2)C3)nc1 ZINC000096040239 218521967 /nfs/dbraw/zinc/52/19/67/218521967.db2.gz DISSBQIFALOJLC-PKOBYXMFSA-N 0 0 340.427 2.464 40 0 EEABRN Cn1nnc2c1[C@H](COCc1ccncc1)CN(Cc1ccco1)C2 ZINC000096060739 218553208 /nfs/dbraw/zinc/55/32/08/218553208.db2.gz GKZKBWBSYPUSMM-HNNXBMFYSA-N 0 0 339.399 2.119 40 0 EEABRN O=C(c1cccs1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1ccncc1 ZINC000096083000 218582031 /nfs/dbraw/zinc/58/20/31/218582031.db2.gz VZYJNHWJROLJBE-UONOGXRCSA-N 0 0 327.409 2.159 40 0 EEABRN O=C(c1cccs1)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 ZINC000096199730 218671184 /nfs/dbraw/zinc/67/11/84/218671184.db2.gz SJXAYHJIUFQNMH-CQSZACIVSA-N 0 0 341.436 2.422 40 0 EEABRN Fc1cnc(N2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)nc1 ZINC000096209907 218687550 /nfs/dbraw/zinc/68/75/50/218687550.db2.gz WRWINAMHKHYITC-GUYCJALGSA-N 0 0 348.353 2.357 40 0 EEABRN Cc1ccnc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)c1 ZINC000096218919 218693333 /nfs/dbraw/zinc/69/33/33/218693333.db2.gz SSVVPTZAGGMCKQ-JZXOWHBKSA-N 0 0 339.395 2.236 40 0 EEABRN CCOc1ncnc2c1CCN(C(=O)NCc1ccccc1)CC2 ZINC000096255634 218724987 /nfs/dbraw/zinc/72/49/87/218724987.db2.gz MTNDKGHZCCUMBZ-UHFFFAOYSA-N 0 0 326.400 2.186 40 0 EEABRN COC(=O)CC1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000096403541 218752032 /nfs/dbraw/zinc/75/20/32/218752032.db2.gz YGLBCGWZCGGTCX-UHFFFAOYSA-N 0 0 331.416 2.097 40 0 EEABRN Cc1cccnc1CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000096419266 218783365 /nfs/dbraw/zinc/78/33/65/218783365.db2.gz OOPABABZEFEVQK-UHFFFAOYSA-N 0 0 338.816 2.377 40 0 EEABRN CCO[C@H](C)c1noc(CN2CCN(C(=O)c3occc3C)CC2)n1 ZINC000096431740 218806648 /nfs/dbraw/zinc/80/66/48/218806648.db2.gz GLRXXRXYZRWKIF-CYBMUJFWSA-N 0 0 348.403 2.027 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)C12CCCC2 ZINC000096432465 218808018 /nfs/dbraw/zinc/80/80/18/218808018.db2.gz ZSZXZUXMOSERSQ-HOTGVXAUSA-N 0 0 328.416 2.436 40 0 EEABRN C[C@@]1(NC(=O)Nc2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000096461056 218842773 /nfs/dbraw/zinc/84/27/73/218842773.db2.gz FKUBAPXGJZMTIW-GFCCVEGCSA-N 0 0 336.335 2.404 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000096473384 218851544 /nfs/dbraw/zinc/85/15/44/218851544.db2.gz UZGXWVOABFDCDO-NWDGAFQWSA-N 0 0 333.392 2.221 40 0 EEABRN CCn1c(C)cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c1C ZINC000096483097 218857823 /nfs/dbraw/zinc/85/78/23/218857823.db2.gz PHPPWODNIXBJPO-OAHLLOKOSA-N 0 0 340.427 2.164 40 0 EEABRN CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccccc1 ZINC000096519815 218881967 /nfs/dbraw/zinc/88/19/67/218881967.db2.gz ZMKUQDCXCCHWSZ-ZJUUUORDSA-N 0 0 327.627 2.442 40 0 EEABRN CS(=O)(=O)C[C@H](NCc1noc2c1CCCC2)c1ccccc1 ZINC000096492368 218869920 /nfs/dbraw/zinc/86/99/20/218869920.db2.gz ACIAOYRUWBRJIE-INIZCTEOSA-N 0 0 334.441 2.429 40 0 EEABRN O=C(NCc1nc(C2CC2)cs1)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103134 218955908 /nfs/dbraw/zinc/95/59/08/218955908.db2.gz UGHSEZRVYMUXHN-UHFFFAOYSA-N 0 0 348.472 2.174 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000005022458 210365434 /nfs/dbraw/zinc/36/54/34/210365434.db2.gz KYDNJCDNCBBPRQ-JZXOWHBKSA-N 0 0 334.485 2.490 40 0 EEABRN CCc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)cc1 ZINC000003478536 208556614 /nfs/dbraw/zinc/55/66/14/208556614.db2.gz PPWQZWNPGFKYRN-UHFFFAOYSA-N 0 0 339.424 2.469 40 0 EEABRN Cc1nc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)cs1 ZINC000153477212 224110858 /nfs/dbraw/zinc/11/08/58/224110858.db2.gz DAQQBHKERQVTMG-MRXNPFEDSA-N 0 0 344.436 2.494 40 0 EEABRN O=C(OC[C@H]1O[C@@H](O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004831394 210291311 /nfs/dbraw/zinc/29/13/11/210291311.db2.gz AKCFUIMCQPPMTA-GVDBMIGSSA-N 0 0 342.347 2.176 40 0 in-vitro EEABRN COCCN1C(=O)S/C(=C/c2cc3c(c(OC)c2)OCO3)C1=O ZINC000409135269 257877615 /nfs/dbraw/zinc/87/76/15/257877615.db2.gz UCZLJBVMIDRWFK-KPKJPENVSA-N 0 0 337.353 2.107 40 0 EEABRN CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1 ZINC000408561391 257896528 /nfs/dbraw/zinc/89/65/28/257896528.db2.gz ISFYRVILGUORON-UHFFFAOYSA-N 0 0 330.340 2.133 40 0 EEABRN CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]21 ZINC000514290189 257845948 /nfs/dbraw/zinc/84/59/48/257845948.db2.gz UYUBGLQDLDSPRC-WBVHZDCISA-N 0 0 343.427 2.246 40 0 biogenic,in-vitro EEABRN CC(C)(C)c1cnc(CCC(=O)NCC(=O)Nc2cccnc2)o1 ZINC000193572150 257847825 /nfs/dbraw/zinc/84/78/25/257847825.db2.gz RVCRRUNHLSWBAL-UHFFFAOYSA-N 0 0 330.388 2.055 40 0 EEABRN CS(=O)(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)n2ccnc2n1 ZINC000257341741 257917152 /nfs/dbraw/zinc/91/71/52/257917152.db2.gz ZLTWJJDQXLMQML-JTQLQIEISA-N 0 0 348.350 2.235 40 0 EEABRN CCc1cc(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)nc(C)n1 ZINC000174220530 258071565 /nfs/dbraw/zinc/07/15/65/258071565.db2.gz KUTRMTHIWJBVGG-LLVKDONJSA-N 0 0 340.383 2.100 40 0 EEABRN COC(=O)CCCC(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000159204349 533347552 /nfs/dbraw/zinc/34/75/52/533347552.db2.gz JFWHLQLVWHKSPR-OAHLLOKOSA-N 0 0 327.384 2.357 40 0 EEABRN Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)co1 ZINC000188879114 160131290 /nfs/dbraw/zinc/13/12/90/160131290.db2.gz VQHWGLNOEUWFKZ-UHFFFAOYSA-N 0 0 330.359 2.254 40 0 EEABRN O=c1c2cnn(-c3ccc(F)cc3)c2nnn1Cc1ccc(F)cc1 ZINC000001344557 275043425 /nfs/dbraw/zinc/04/34/25/275043425.db2.gz LOEIICNJUIUYAT-UHFFFAOYSA-N 0 0 339.305 2.304 40 0 EEABRN CC(C)[C@H]1C(=O)NCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000078453439 275707009 /nfs/dbraw/zinc/70/70/09/275707009.db2.gz XATZIVRIASLCKX-HNNXBMFYSA-N 0 0 334.803 2.099 40 0 EEABRN CC1(C)OC(=O)c2c1ccnc2N[C@H]1CCCN(c2ncccn2)C1 ZINC000078551198 276155156 /nfs/dbraw/zinc/15/51/56/276155156.db2.gz FZISAJILWMDHAY-LBPRGKRZSA-N 0 0 339.399 2.358 40 0 EEABRN CC(=O)NN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000003178449 277038198 /nfs/dbraw/zinc/03/81/98/277038198.db2.gz JIIOAGSZOHPKKP-UHFFFAOYSA-N 0 0 333.141 2.249 40 0 EEABRN Cc1ccc2c(c1)CCCN2C(=O)c1cc(N2CCOCC2)ncn1 ZINC000245053575 278871235 /nfs/dbraw/zinc/87/12/35/278871235.db2.gz PAXKRIKYCIJPSS-UHFFFAOYSA-N 0 0 338.411 2.215 40 0 EEABRN O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000040166951 280351646 /nfs/dbraw/zinc/35/16/46/280351646.db2.gz XKWDNDYXGGAFIJ-HOTGVXAUSA-N 0 0 344.461 2.214 40 0 EEABRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)CC3 ZINC000195574570 281034712 /nfs/dbraw/zinc/03/47/12/281034712.db2.gz IRIQDWQNWXPFLP-SNUQEOBHSA-N 0 0 348.468 2.430 40 0 EEABRN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000006221832 304761810 /nfs/dbraw/zinc/76/18/10/304761810.db2.gz RVSWOYZSGMDSAF-NEPJUHHUSA-N 0 0 334.235 2.031 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)cn3)OCC(=O)N2C)cc1 ZINC000096181489 301776927 /nfs/dbraw/zinc/77/69/27/301776927.db2.gz SXVWRWRPPCHEDG-QZTJIDSGSA-N 0 0 339.395 2.235 40 0 EEABRN Cc1nnc([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000078989093 302822116 /nfs/dbraw/zinc/82/21/16/302822116.db2.gz ZUOCLQGGXLVKSG-KOLCDFICSA-N 0 0 325.365 2.382 40 0 EEABRN O=C(CN(C[C@@H]1CCCO1)c1ncnc2ccsc21)N1CCCC1 ZINC000329394058 311671790 /nfs/dbraw/zinc/67/17/90/311671790.db2.gz STFSPDWRLXQXHF-ZDUSSCGKSA-N 0 0 346.456 2.299 40 0 EEABRN Cc1[nH]c(=O)c(C(=O)N(C)Cc2nccs2)cc1Br ZINC000097102431 323321375 /nfs/dbraw/zinc/32/13/75/323321375.db2.gz XONMHCRUBVGXLC-UHFFFAOYSA-N 0 0 342.218 2.175 40 0 EEABRN Cc1ncn(C[C@@H](O)COc2cccc(C(F)(F)F)c2)c(=O)c1C ZINC000097238459 323321506 /nfs/dbraw/zinc/32/15/06/323321506.db2.gz ZNUPANLTBKGEDX-CYBMUJFWSA-N 0 0 342.317 2.319 40 0 EEABRN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000155241567 323332355 /nfs/dbraw/zinc/33/23/55/323332355.db2.gz MZNYQGXFYRAOAR-IRXDYDNUSA-N 0 0 342.439 2.475 40 0 EEABRN CC(C)Oc1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000339458828 465284615 /nfs/dbraw/zinc/28/46/15/465284615.db2.gz AXDKAHXIRKNEHW-UHFFFAOYSA-N 0 0 340.423 2.449 40 0 EEABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)o2)cc1 ZINC000000134759 462543879 /nfs/dbraw/zinc/54/38/79/462543879.db2.gz FNDPARRCAAZXJE-UKTHLTGXSA-N 0 0 342.376 2.469 40 0 EEABRN COc1ccc(C(=O)n2ncnc2N)cc1COc1cccc(C)c1 ZINC000001012125 462574289 /nfs/dbraw/zinc/57/42/89/462574289.db2.gz QRHNSWDPCBGDHD-UHFFFAOYSA-N 0 0 338.367 2.445 40 0 EEABRN Nc1cccc(S[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000002032210 462588420 /nfs/dbraw/zinc/58/84/20/462588420.db2.gz CMGHQGOZLOJZKD-OAHLLOKOSA-N 0 0 342.376 2.422 40 0 EEABRN COc1ccccc1OCC(=O)N1CCC(Cn2ccnc2)CC1 ZINC000062017589 462606514 /nfs/dbraw/zinc/60/65/14/462606514.db2.gz QZFXZVHQTXSQDJ-UHFFFAOYSA-N 0 0 329.400 2.209 40 0 EEABRN COc1cc(OC)cc(OCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000005497037 462661641 /nfs/dbraw/zinc/66/16/41/462661641.db2.gz BHYAQNQSMWKXHJ-UHFFFAOYSA-N 0 0 331.324 2.450 40 0 EEABRN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000005674099 462666117 /nfs/dbraw/zinc/66/61/17/462666117.db2.gz GJVHPHBKLYFZHR-QWHCGFSZSA-N 0 0 342.436 2.141 40 0 EEABRN CCC(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000007387732 462733871 /nfs/dbraw/zinc/73/38/71/462733871.db2.gz ZFBMZQYYQOEZKZ-UHFFFAOYSA-N 0 0 329.322 2.246 40 0 EEABRN O=C(CCC(=O)OCC(=O)Nc1ccccc1)NC1CCCCC1 ZINC000007939804 462758604 /nfs/dbraw/zinc/75/86/04/462758604.db2.gz QMCQKGCTYNKXHA-UHFFFAOYSA-N 0 0 332.400 2.397 40 0 EEABRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000047324879 462769058 /nfs/dbraw/zinc/76/90/58/462769058.db2.gz VSXYLEWLYRKWQA-NSHDSACASA-N 0 0 345.852 2.133 40 0 EEABRN Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)cc2)s1 ZINC000008474326 462784809 /nfs/dbraw/zinc/78/48/09/462784809.db2.gz JNJBUAGVEDFQDB-UHFFFAOYSA-N 0 0 347.396 2.300 40 0 EEABRN Cc1cc(N2CCC3(CC2)OCCO3)n2nc(-c3ccco3)nc2n1 ZINC000009526447 462803938 /nfs/dbraw/zinc/80/39/38/462803938.db2.gz UCMIUPZQNYTVDD-UHFFFAOYSA-N 0 0 341.371 2.036 40 0 EEABRN CC(C)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000012185140 462846933 /nfs/dbraw/zinc/84/69/33/462846933.db2.gz RVIRSJRXIYFTIE-BFDPJXHCSA-N 0 0 328.412 2.466 40 0 EEABRN O=S(=O)(c1ccc(S[C@@H]2C=CCCC2)nc1)N1CCOCC1 ZINC000076609864 462885268 /nfs/dbraw/zinc/88/52/68/462885268.db2.gz OMYONZCOVBHOLL-CYBMUJFWSA-N 0 0 340.470 2.303 40 0 EEABRN Cc1cc(C(=O)NC2CCN(C(=O)c3cnccn3)CC2)c(C)s1 ZINC000076623902 462886476 /nfs/dbraw/zinc/88/64/76/462886476.db2.gz QGJMJKHVADNRPD-UHFFFAOYSA-N 0 0 344.440 2.190 40 0 EEABRN Cc1ccc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)o1 ZINC000013227362 462887902 /nfs/dbraw/zinc/88/79/02/462887902.db2.gz CCYSUPZUDLDMRD-KBXCAEBGSA-N 0 0 340.427 2.476 40 0 EEABRN COC(=O)c1ccc(NC(=S)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000013556332 462895665 /nfs/dbraw/zinc/89/56/65/462895665.db2.gz WOBPKPKMKIQZOT-HZPDHXFCSA-N 0 0 342.420 2.418 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)NC1CCC(O)CC1 ZINC000133223789 462909077 /nfs/dbraw/zinc/90/90/77/462909077.db2.gz PVYUNVXCPOUDOQ-UHFFFAOYSA-N 0 0 348.262 2.339 40 0 EEABRN CC[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1cc(F)ccc1F ZINC000077137841 462942161 /nfs/dbraw/zinc/94/21/61/462942161.db2.gz OLXHOZJTVOXTFL-IINYFYTJSA-N 0 0 325.359 2.323 40 0 EEABRN NC(=O)c1cccnc1N1CCN(CCOC2CCCCCC2)CC1 ZINC000077273086 462961961 /nfs/dbraw/zinc/96/19/61/462961961.db2.gz SDXKVDVTHUCADR-UHFFFAOYSA-N 0 0 346.475 2.042 40 0 EEABRN CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016678196 462986915 /nfs/dbraw/zinc/98/69/15/462986915.db2.gz MEVRFAXXRNYFOF-UHFFFAOYSA-N 0 0 348.424 2.392 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000017334100 462998873 /nfs/dbraw/zinc/99/88/73/462998873.db2.gz OQEVGXXLEJVOQL-UHFFFAOYSA-N 0 0 332.425 2.209 40 0 EEABRN Cn1c(CN2CCOC[C@@H]2CC(=O)c2ccccc2)nnc1C1CC1 ZINC000134099650 463003992 /nfs/dbraw/zinc/00/39/92/463003992.db2.gz DYQAWXYNAJQUFI-INIZCTEOSA-N 0 0 340.427 2.166 40 0 EEABRN O=C(C1CCCC1)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019402788 463018002 /nfs/dbraw/zinc/01/80/02/463018002.db2.gz KUEUFRLBCUZBNH-AWEZNQCLSA-N 0 0 338.411 2.338 40 0 EEABRN CN(C)Cc1cc([C@H]2CCCN2C(=O)COc2ccccc2)n[nH]1 ZINC000019709028 463021200 /nfs/dbraw/zinc/02/12/00/463021200.db2.gz BXQXFRFUCXTFFI-QGZVFWFLSA-N 0 0 328.416 2.214 40 0 EEABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)c(N)c1 ZINC000020154115 463025535 /nfs/dbraw/zinc/02/55/35/463025535.db2.gz YBFMKPFZGICJLG-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN CC(C)c1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1 ZINC000020414452 463027553 /nfs/dbraw/zinc/02/75/53/463027553.db2.gz KZKKUGAYSPHARJ-UHFFFAOYSA-N 0 0 341.463 2.068 40 0 EEABRN CC(C)N1C(=O)C[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1=O ZINC000134492128 463046106 /nfs/dbraw/zinc/04/61/06/463046106.db2.gz SEINYHNLGYFKMR-OAHLLOKOSA-N 0 0 328.412 2.052 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000024257248 463081800 /nfs/dbraw/zinc/08/18/00/463081800.db2.gz XZBVRDLUJFMVLF-UHFFFAOYSA-N 0 0 333.365 2.477 40 0 EEABRN COc1ccc(NCc2nc([C@H](N)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533687 463106713 /nfs/dbraw/zinc/10/67/13/463106713.db2.gz AUFDATNGWVHGED-QGZVFWFLSA-N 0 0 339.399 2.482 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC000096063414 463163139 /nfs/dbraw/zinc/16/31/39/463163139.db2.gz LZSJEXDUEGHLCG-YOEHRIQHSA-N 0 0 347.440 2.035 40 0 EEABRN O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1nccs1)CC2 ZINC000096069567 463165344 /nfs/dbraw/zinc/16/53/44/463165344.db2.gz JFCHPOWIJRWFHL-CQSZACIVSA-N 0 0 328.441 2.176 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cs1 ZINC000096072770 463167870 /nfs/dbraw/zinc/16/78/70/463167870.db2.gz WKEZOGKALAKHEZ-PBHICJAKSA-N 0 0 345.472 2.395 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2 ZINC000096105800 463174138 /nfs/dbraw/zinc/17/41/38/463174138.db2.gz JXJXDGBHCNJXNB-OAHLLOKOSA-N 0 0 339.457 2.201 40 0 EEABRN Cc1ccccc1[C@H](NC(=O)CCC(=O)N1CCOCC1)C(C)C ZINC000078994919 463176244 /nfs/dbraw/zinc/17/62/44/463176244.db2.gz KBIFHXSDWRWQCA-LJQANCHMSA-N 0 0 332.444 2.447 40 0 EEABRN Cc1ccnc2ccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)cc12 ZINC000096122008 463181838 /nfs/dbraw/zinc/18/18/38/463181838.db2.gz KXHJZTWBZVGJAY-UHFFFAOYSA-N 0 0 346.452 2.438 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000096121970 463182046 /nfs/dbraw/zinc/18/20/46/463182046.db2.gz CMNQHQQDFYIUKA-UHFFFAOYSA-N 0 0 333.812 2.374 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079044107 463182702 /nfs/dbraw/zinc/18/27/02/463182702.db2.gz HCBFLGXOMJBDTJ-GHMZBOCLSA-N 0 0 342.798 2.374 40 0 EEABRN O=C(c1cccnc1)N1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159542 463191360 /nfs/dbraw/zinc/19/13/60/463191360.db2.gz XSYSACBKNZZHQD-KRWDZBQOSA-N 0 0 327.409 2.412 40 0 EEABRN CCn1ccc(NC(=O)c2nnn(Cc3ccccc3)c2Cl)n1 ZINC000096183424 463196061 /nfs/dbraw/zinc/19/60/61/463196061.db2.gz HVAGVEZELQLZBI-UHFFFAOYSA-N 0 0 330.779 2.449 40 0 EEABRN O=C(c1ccco1)N1CC[C@@H]2O[C@H](COCC3CCOCC3)CC[C@@H]21 ZINC000096186100 463197665 /nfs/dbraw/zinc/19/76/65/463197665.db2.gz ULRQJUGYPBNUSL-ULQDDVLXSA-N 0 0 349.427 2.485 40 0 EEABRN Cc1cnc(N2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096186711 463199079 /nfs/dbraw/zinc/19/90/79/463199079.db2.gz QQZVLBDBNNTJNG-SQNIBIBYSA-N 0 0 347.459 2.355 40 0 EEABRN CCOC[C@H]1c2c(cnn2C)CCN1Cc1ccc2c(c1)OCO2 ZINC000096197738 463202504 /nfs/dbraw/zinc/20/25/04/463202504.db2.gz BIYVDPKIVQMJLY-HNNXBMFYSA-N 0 0 329.400 2.285 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000096205822 463208191 /nfs/dbraw/zinc/20/81/91/463208191.db2.gz KNGJKVFMXSOHJS-OAHLLOKOSA-N 0 0 339.457 2.201 40 0 EEABRN c1csc(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)n1 ZINC000096207429 463210372 /nfs/dbraw/zinc/21/03/72/463210372.db2.gz SBJVRNFQQVSZAL-AWEZNQCLSA-N 0 0 341.440 2.446 40 0 EEABRN Cc1csc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)n1 ZINC000096208881 463211403 /nfs/dbraw/zinc/21/14/03/463211403.db2.gz SHPBNFSUGDNMCH-PBHICJAKSA-N 0 0 331.441 2.374 40 0 EEABRN O=C(c1cnccn1)N1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215755 463214004 /nfs/dbraw/zinc/21/40/04/463214004.db2.gz KNIGDWPLSQOEQV-KRWDZBQOSA-N 0 0 343.456 2.061 40 0 EEABRN Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cs1 ZINC000096209445 463214273 /nfs/dbraw/zinc/21/42/73/463214273.db2.gz MPRXZEINPVAKGB-DYVFJYSZSA-N 0 0 345.424 2.014 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096217490 463215077 /nfs/dbraw/zinc/21/50/77/463215077.db2.gz CPYXERYHZIARPM-DYVFJYSZSA-N 0 0 330.409 2.311 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)c1 ZINC000096219399 463216877 /nfs/dbraw/zinc/21/68/77/463216877.db2.gz PIEWGPFYOIPCED-NSHGMRRFSA-N 0 0 345.439 2.423 40 0 EEABRN O=C(c1ccncc1)N1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221714 463218094 /nfs/dbraw/zinc/21/80/94/463218094.db2.gz STVNBAFYJLECJB-KRWDZBQOSA-N 0 0 339.395 2.319 40 0 EEABRN O=C(Nc1cccc(F)c1)[C@H]1CCC2(CN(C(=O)c3ccco3)C2)O1 ZINC000096239511 463224176 /nfs/dbraw/zinc/22/41/76/463224176.db2.gz BRDILDMMBCRLGO-CQSZACIVSA-N 0 0 344.342 2.431 40 0 EEABRN CC(C)C(=O)N1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244291 463225861 /nfs/dbraw/zinc/22/58/61/463225861.db2.gz SJKMTAAFUXXPRQ-IBGZPJMESA-N 0 0 338.411 2.195 40 0 EEABRN CCOC[C@H]1C[C@]2(CO1)COCCN2C(=O)c1sccc1C ZINC000096240718 463226044 /nfs/dbraw/zinc/22/60/44/463226044.db2.gz DBSANQQIPVWONE-CZUORRHYSA-N 0 0 325.430 2.093 40 0 EEABRN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2ncccc2c1 ZINC000028466562 463226364 /nfs/dbraw/zinc/22/63/64/463226364.db2.gz VRTLMSYMBROHFZ-INIZCTEOSA-N 0 0 341.367 2.052 40 0 EEABRN COc1nn(C)c2c1CCCN(C(=O)Nc1ccc(OC)cc1)C2 ZINC000096254485 463228332 /nfs/dbraw/zinc/22/83/32/463228332.db2.gz RYNZEWCBXBLGSX-UHFFFAOYSA-N 0 0 330.388 2.418 40 0 EEABRN Cn1cccc1C(=O)N1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255324 463229098 /nfs/dbraw/zinc/22/90/98/463229098.db2.gz VBUFQUOWVUPCIB-UHFFFAOYSA-N 0 0 333.395 2.118 40 0 EEABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCC(C)C)C[C@@H]32)C(=O)N1CC ZINC000096261629 463230777 /nfs/dbraw/zinc/23/07/77/463230777.db2.gz ILCPDGZEPNRNMT-QWQRMKEZSA-N 0 0 334.464 2.103 40 0 EEABRN O=C(NC1CCN(c2ncccn2)CC1)c1cccc(-n2ccnc2)c1 ZINC000096409830 463242215 /nfs/dbraw/zinc/24/22/15/463242215.db2.gz NMYSUWJRGSFCTM-UHFFFAOYSA-N 0 0 348.410 2.061 40 0 EEABRN CCn1nc(C)c(CNS(=O)(=O)Cc2cccc(OC)c2)c1C ZINC000096410379 463244276 /nfs/dbraw/zinc/24/42/76/463244276.db2.gz CWQCMTZPQGKMSW-UHFFFAOYSA-N 0 0 337.445 2.148 40 0 EEABRN CSC[C@](C)(O)CNC(=O)c1cc(F)ccc1Br ZINC000096414645 463246914 /nfs/dbraw/zinc/24/69/14/463246914.db2.gz XWMWOIOJIUWWHQ-GFCCVEGCSA-N 0 0 336.226 2.432 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCS1(=O)=O ZINC000096416152 463247883 /nfs/dbraw/zinc/24/78/83/463247883.db2.gz NFZCHECFMWUKDT-JTQLQIEISA-N 0 0 335.347 2.446 40 0 EEABRN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000096416060 463248436 /nfs/dbraw/zinc/24/84/36/463248436.db2.gz UYFNENRGGQOSTE-KGLIPLIRSA-N 0 0 340.445 2.402 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)nn1C ZINC000096420028 463251790 /nfs/dbraw/zinc/25/17/90/463251790.db2.gz FUNCMBPOHJBRLW-GFCCVEGCSA-N 0 0 328.199 2.499 40 0 EEABRN Cc1cc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)no1 ZINC000096419971 463251885 /nfs/dbraw/zinc/25/18/85/463251885.db2.gz PXQLJKXZHAKFBS-NSHDSACASA-N 0 0 344.289 2.172 40 0 EEABRN C[C@@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1csc(C2CC2)n1 ZINC000096421572 463252598 /nfs/dbraw/zinc/25/25/98/463252598.db2.gz MRLYQQQLRDKXSV-QLJPJBMISA-N 0 0 349.460 2.022 40 0 EEABRN Cc1cc([C@H](C)NC(=O)NC[C@](C)(O)c2cnn(C)c2)c(C)s1 ZINC000096421426 463252915 /nfs/dbraw/zinc/25/29/15/463252915.db2.gz GHRABHQKFNEADS-ZBEGNZNMSA-N 0 0 336.461 2.366 40 0 EEABRN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000096423617 463253641 /nfs/dbraw/zinc/25/36/41/463253641.db2.gz WFHRBXSDIJMUPM-AWEZNQCLSA-N 0 0 336.457 2.212 40 0 EEABRN Cc1nc(C(=O)N2CCN(c3ncnc4ccsc43)CC2)cs1 ZINC000096423048 463253670 /nfs/dbraw/zinc/25/36/70/463253670.db2.gz YSKSGHJFPKXFNB-UHFFFAOYSA-N 0 0 345.453 2.419 40 0 EEABRN CCc1ccc([C@@H](COC)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000096423281 463254117 /nfs/dbraw/zinc/25/41/17/463254117.db2.gz BDWJOFMYKLAKBB-CQSZACIVSA-N 0 0 329.356 2.129 40 0 EEABRN CCc1cc(NC(=O)CCn2cnc3ccccc3c2=O)nc(C)n1 ZINC000096425633 463254913 /nfs/dbraw/zinc/25/49/13/463254913.db2.gz KBBIDEZBHUEDHH-UHFFFAOYSA-N 0 0 337.383 2.086 40 0 EEABRN CC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)[nH]1 ZINC000096426377 463256089 /nfs/dbraw/zinc/25/60/89/463256089.db2.gz SEMPRHZUEWDGBE-UHFFFAOYSA-N 0 0 341.415 2.419 40 0 EEABRN COc1ccc(NCc2noc(C(C)(C)C)n2)cc1-n1nnnc1C ZINC000096427498 463257093 /nfs/dbraw/zinc/25/70/93/463257093.db2.gz VVOJBPPUAGYEIJ-UHFFFAOYSA-N 0 0 343.391 2.272 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000096430620 463260313 /nfs/dbraw/zinc/26/03/13/463260313.db2.gz WLHYADQVKKJQOC-VIFPVBQESA-N 0 0 329.187 2.169 40 0 EEABRN CN(CCn1cccn1)C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000096431002 463260450 /nfs/dbraw/zinc/26/04/50/463260450.db2.gz XNJTZYCOQKZXFS-UHFFFAOYSA-N 0 0 349.460 2.025 40 0 EEABRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H]2CCCCO2)cc1 ZINC000096430724 463260509 /nfs/dbraw/zinc/26/05/09/463260509.db2.gz IXUGUJYSRLVIFI-DLBZAZTESA-N 0 0 330.428 2.171 40 0 EEABRN CSC[C@@H]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000096437309 463264501 /nfs/dbraw/zinc/26/45/01/463264501.db2.gz SKZDAXRZLTVAOR-MSOLQXFVSA-N 0 0 348.512 2.489 40 0 EEABRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1nnnn1-c1ccccc1 ZINC000096437034 463264817 /nfs/dbraw/zinc/26/48/17/463264817.db2.gz OMFXQJWADDFKGW-GFCCVEGCSA-N 0 0 349.398 2.026 40 0 EEABRN CCc1nsc(N2CCN(C(=O)NCc3ccoc3C)CC2)n1 ZINC000096439377 463265809 /nfs/dbraw/zinc/26/58/09/463265809.db2.gz OSMXRJGPMDVABI-UHFFFAOYSA-N 0 0 335.433 2.034 40 0 EEABRN CC(=O)N1CCC(NC(=O)COc2cccc3c2CCCC3)CC1 ZINC000096447973 463271231 /nfs/dbraw/zinc/27/12/31/463271231.db2.gz FULZPGDKHPRHQQ-UHFFFAOYSA-N 0 0 330.428 2.071 40 0 EEABRN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@](C)(O)c1cccs1 ZINC000096450334 463271852 /nfs/dbraw/zinc/27/18/52/463271852.db2.gz FNKHCNGAAXVXMD-SJCJKPOMSA-N 0 0 338.473 2.157 40 0 EEABRN Cc1ccccc1CN(C)C(=O)CNc1cccc(C)c1C(N)=O ZINC000096453368 463274167 /nfs/dbraw/zinc/27/41/67/463274167.db2.gz QLRLVZVSCFYVGQ-UHFFFAOYSA-N 0 0 325.412 2.473 40 0 EEABRN Cc1ccc([C@@H]2CN(CCS(=O)(=O)C(C)C)CCO2)c(C)c1 ZINC000096455310 463275544 /nfs/dbraw/zinc/27/55/44/463275544.db2.gz PBHUUIFALXQTMS-KRWDZBQOSA-N 0 0 325.474 2.500 40 0 EEABRN CCN(C)S(=O)(=O)NCCc1nc(-c2ccccc2)c(C)s1 ZINC000096472792 463278688 /nfs/dbraw/zinc/27/86/88/463278688.db2.gz LERFWQMNKSUJOD-UHFFFAOYSA-N 0 0 339.486 2.447 40 0 EEABRN CNC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(OC)cc1Cl ZINC000096472014 463279106 /nfs/dbraw/zinc/27/91/06/463279106.db2.gz VZBUTYVUVMBAMD-CQSZACIVSA-N 0 0 326.824 2.168 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(-c2ccccc2F)n1 ZINC000096473832 463279296 /nfs/dbraw/zinc/27/92/96/463279296.db2.gz QRTDHGPERZVGEO-FZMZJTMJSA-N 0 0 336.388 2.057 40 0 EEABRN O=C(CS(=O)(=O)c1cccs1)NCCc1c(F)cccc1F ZINC000096475667 463280526 /nfs/dbraw/zinc/28/05/26/463280526.db2.gz CDRLAZTVEUDROQ-UHFFFAOYSA-N 0 0 345.392 2.159 40 0 EEABRN O=C1[C@H](N[C@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494478 463289405 /nfs/dbraw/zinc/28/94/05/463289405.db2.gz VIDAUSCPBJZNTQ-UONOGXRCSA-N 0 0 349.797 2.301 40 0 EEABRN C[C@H](CCNC(=O)N[C@@H]1CCCOc2c(F)cccc21)[S@](C)=O ZINC000096497017 463290493 /nfs/dbraw/zinc/29/04/93/463290493.db2.gz ICUWJKYCADFOFC-CAAIUEGSSA-N 0 0 342.436 2.496 40 0 EEABRN Cc1[nH]cc(C(=O)N2CCC3(CCC3)C2)c(=O)c1Br ZINC000096500646 463290571 /nfs/dbraw/zinc/29/05/71/463290571.db2.gz BUSKLMCHNPUPNR-UHFFFAOYSA-N 0 0 325.206 2.462 40 0 EEABRN CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000096502788 463292241 /nfs/dbraw/zinc/29/22/41/463292241.db2.gz JTQMJIAXLDVJAQ-KRWDZBQOSA-N 0 0 342.443 2.376 40 0 EEABRN CCc1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)ccc1OC ZINC000096744657 463298153 /nfs/dbraw/zinc/29/81/53/463298153.db2.gz STGRVDAXPNOCNR-UHFFFAOYSA-N 0 0 346.408 2.405 40 0 EEABRN CN(CC1=CCCOC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000097095371 463321855 /nfs/dbraw/zinc/32/18/55/463321855.db2.gz DQNRYBBARZGYCA-CQSZACIVSA-N 0 0 339.233 2.254 40 0 EEABRN Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)cc(C)c1F ZINC000097097848 463322797 /nfs/dbraw/zinc/32/27/97/463322797.db2.gz UVYMTLZMIFEEHX-UHFFFAOYSA-N 0 0 329.375 2.274 40 0 EEABRN CCC[C@@H]1C[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CCO1 ZINC000097236687 463352486 /nfs/dbraw/zinc/35/24/86/463352486.db2.gz SAGMDTGXELHOHJ-DLBZAZTESA-N 0 0 349.475 2.177 40 0 EEABRN CCc1nnc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)o1 ZINC000097374707 463357182 /nfs/dbraw/zinc/35/71/82/463357182.db2.gz MCWNNNDEPABRGE-XQQFMLRXSA-N 0 0 336.436 2.367 40 0 EEABRN CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032967792 463405598 /nfs/dbraw/zinc/40/55/98/463405598.db2.gz GNMYBDBDRDTOMO-AWEZNQCLSA-N 0 0 338.473 2.392 40 0 EEABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033748215 463423546 /nfs/dbraw/zinc/42/35/46/463423546.db2.gz JJQZFPSJMNIORT-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN CN(Cc1cscn1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081591074 463466862 /nfs/dbraw/zinc/46/68/62/463466862.db2.gz OGHJRMWGGMTJMM-UHFFFAOYSA-N 0 0 348.819 2.109 40 0 EEABRN Cc1ccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)s1 ZINC000057214073 463467222 /nfs/dbraw/zinc/46/72/22/463467222.db2.gz KHEMUCFNGJAXFZ-QGZVFWFLSA-N 0 0 343.408 2.292 40 0 EEABRN CCc1noc([C@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)n1 ZINC000041123619 463468346 /nfs/dbraw/zinc/46/83/46/463468346.db2.gz YQPCLZJHIHKQHY-SWLSCSKDSA-N 0 0 343.383 2.178 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC(c3nc(C(C)C)no3)CC2)n1 ZINC000041123105 463468564 /nfs/dbraw/zinc/46/85/64/463468564.db2.gz KJQKMZFUQHFLTC-UHFFFAOYSA-N 0 0 331.420 2.413 40 0 EEABRN CCc1noc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)n1 ZINC000041123617 463468705 /nfs/dbraw/zinc/46/87/05/463468705.db2.gz YQPCLZJHIHKQHY-IUODEOHRSA-N 0 0 343.383 2.178 40 0 EEABRN CCn1nc(C)c2c1cnn2CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000057279099 463474276 /nfs/dbraw/zinc/47/42/76/463474276.db2.gz GXGZRTQLTSCFAI-JKSUJKDBSA-N 0 0 337.427 2.481 40 0 EEABRN NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000072228512 463483706 /nfs/dbraw/zinc/48/37/06/463483706.db2.gz ODSQKZJRJRYOHI-UHFFFAOYSA-N 0 0 346.481 2.366 40 0 EEABRN COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2F)cc1OC ZINC000072227092 463484409 /nfs/dbraw/zinc/48/44/09/463484409.db2.gz SOENEXQQPULRFT-DLBZAZTESA-N 0 0 330.359 2.254 40 0 EEABRN CC1(C)O[C@@]2(C)O[C@@](C)(CO)[C@]3(C)OC(C)(C)O[C@@]3(C)[C@@]2(C)O1 ZINC000072283195 463495872 /nfs/dbraw/zinc/49/58/72/463495872.db2.gz CYMKALUCKAWBMD-SIRPWMCASA-N 0 0 330.421 2.326 40 0 EEABRN Cc1ccc([C@H]2CSCCN2Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000083198383 463540107 /nfs/dbraw/zinc/54/01/07/463540107.db2.gz ZCZBIAGXCGNGMQ-CQSZACIVSA-N 0 0 344.488 2.118 40 0 EEABRN CN(Cc1cccnc1)Cc1cncc2c1CCN([C@H]1CCOC1)C2 ZINC000107211430 463561399 /nfs/dbraw/zinc/56/13/99/463561399.db2.gz IDGHYPXJCVGYNL-IBGZPJMESA-N 0 0 338.455 2.256 40 0 EEABRN CCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000042646380 463582823 /nfs/dbraw/zinc/58/28/23/463582823.db2.gz RHVOLALCMOHJII-UHFFFAOYSA-N 0 0 343.221 2.239 40 0 EEABRN O=C(NCCOc1ccccc1Cc1ccccc1)C(=O)NC1CC1 ZINC000059417453 463643059 /nfs/dbraw/zinc/64/30/59/463643059.db2.gz HYPUTXCHROZEBH-UHFFFAOYSA-N 0 0 338.407 2.051 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000044895936 463699628 /nfs/dbraw/zinc/69/96/28/463699628.db2.gz HLRFYCYJLUDMSI-VXGBXAGGSA-N 0 0 335.448 2.063 40 0 EEABRN O=C(NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1)c1ccccn1 ZINC000257232298 463758376 /nfs/dbraw/zinc/75/83/76/463758376.db2.gz GKGPUABXVRLSFI-HDJSIYSDSA-N 0 0 336.399 2.223 40 0 EEABRN Cc1cc(=O)[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257283648 463761114 /nfs/dbraw/zinc/76/11/14/463761114.db2.gz OZFOVNDKJKSDNG-INIZCTEOSA-N 0 0 339.395 2.193 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257295239 463765554 /nfs/dbraw/zinc/76/55/54/463765554.db2.gz QXODJNYOMQURDQ-AWEZNQCLSA-N 0 0 336.399 2.085 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257297311 463767442 /nfs/dbraw/zinc/76/74/42/463767442.db2.gz RGSPQXCXKYVTKR-OAHLLOKOSA-N 0 0 330.363 2.400 40 0 EEABRN CC(=O)Nc1cc(CCC2CCN(C(=O)c3cc[nH]n3)CC2)ccn1 ZINC000257300602 463769241 /nfs/dbraw/zinc/76/92/41/463769241.db2.gz RUZYKBJVALROQI-UHFFFAOYSA-N 0 0 341.415 2.248 40 0 EEABRN CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1cccs1 ZINC000257303274 463770468 /nfs/dbraw/zinc/77/04/68/463770468.db2.gz SGMKYQYKFUDEOH-AWEZNQCLSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cc1 ZINC000257315362 463775141 /nfs/dbraw/zinc/77/51/41/463775141.db2.gz VAZJNDSWAYJTCG-QGZVFWFLSA-N 0 0 347.440 2.164 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322411 463777984 /nfs/dbraw/zinc/77/79/84/463777984.db2.gz WFWANWXZFIWVED-MRXNPFEDSA-N 0 0 326.448 2.456 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 ZINC000257321837 463778383 /nfs/dbraw/zinc/77/83/83/463778383.db2.gz WDMGWWDGBOIXGL-GFCCVEGCSA-N 0 0 341.358 2.216 40 0 EEABRN CC(=O)NCc1c[nH]c([C@H]2CCN(C(=O)C=Cc3ccccc3)C2)n1 ZINC000257340791 463786006 /nfs/dbraw/zinc/78/60/06/463786006.db2.gz ZHOPGLNDZLZVOX-WAVCKPEOSA-N 0 0 338.411 2.075 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)NCCCN1c2ccccc2C[C@H]1C ZINC000260810814 463792114 /nfs/dbraw/zinc/79/21/14/463792114.db2.gz KLKINGUREISQNM-GFCCVEGCSA-N 0 0 349.456 2.411 40 0 EEABRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000194321436 463836460 /nfs/dbraw/zinc/83/64/60/463836460.db2.gz HYYVFDKHEFLDGR-GOSISDBHSA-N 0 0 329.400 2.386 40 0 EEABRN CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)CC ZINC000195209361 464018086 /nfs/dbraw/zinc/01/80/86/464018086.db2.gz CCTMFDVCRMACQA-UHFFFAOYSA-N 0 0 329.809 2.324 40 0 EEABRN CN(C)[C@H](CNC(=O)Nc1nc2c(s1)COCC2)c1ccco1 ZINC000172255793 464031782 /nfs/dbraw/zinc/03/17/82/464031782.db2.gz HQISZLICEXFQEY-LLVKDONJSA-N 0 0 336.417 2.233 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1C ZINC000195547533 464074227 /nfs/dbraw/zinc/07/42/27/464074227.db2.gz MIKMLYABBWCJNZ-GFCCVEGCSA-N 0 0 329.375 2.296 40 0 EEABRN O=C(N[C@H]1C[C@H]1c1ccccc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000195563987 464077843 /nfs/dbraw/zinc/07/78/43/464077843.db2.gz LFWUQKGLSQYVTQ-HRCADAONSA-N 0 0 342.420 2.370 40 0 EEABRN CNC(=O)Cn1cc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)cn1 ZINC000187696869 464151448 /nfs/dbraw/zinc/15/14/48/464151448.db2.gz QOVTXIXHEYYMMC-CQSZACIVSA-N 0 0 345.403 2.290 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)Cc1ccccc1 ZINC000225100372 464152697 /nfs/dbraw/zinc/15/26/97/464152697.db2.gz QMKQAABLJJNLFH-UHFFFAOYSA-N 0 0 336.457 2.065 40 0 EEABRN CC[S@@](=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000291415413 464154239 /nfs/dbraw/zinc/15/42/39/464154239.db2.gz HBDULLJXCZVFGO-HSZRJFAPSA-N 0 0 348.390 2.134 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NCc1cccnc1)CCCC2 ZINC000225245329 464155914 /nfs/dbraw/zinc/15/59/14/464155914.db2.gz FPIGAAUOBZLWAN-UHFFFAOYSA-N 0 0 332.425 2.448 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCSc2ccc(Cl)cc21 ZINC000225435957 464159940 /nfs/dbraw/zinc/15/99/40/464159940.db2.gz NYLPVKKQTLVKSD-SECBINFHSA-N 0 0 348.877 2.059 40 0 EEABRN CCOc1ccccc1CN1CCN(C(=O)c2ccnn2C)[C@H](C)C1 ZINC000225658122 464178426 /nfs/dbraw/zinc/17/84/26/464178426.db2.gz QPFGXZSLZCRZGU-OAHLLOKOSA-N 0 0 342.443 2.165 40 0 EEABRN COc1cccc(C2CCN(S(=O)(=O)C[C@H](C)OC)CC2)c1F ZINC000225676558 464179045 /nfs/dbraw/zinc/17/90/45/464179045.db2.gz FCZCFWXLEFKXLY-LBPRGKRZSA-N 0 0 345.436 2.378 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](CSCC(=O)Nc2ccccc2)C1 ZINC000225690457 464180333 /nfs/dbraw/zinc/18/03/33/464180333.db2.gz IEUOVRRVUYFYSO-CYBMUJFWSA-N 0 0 342.486 2.030 40 0 EEABRN C[C@@H](C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000188153045 464211812 /nfs/dbraw/zinc/21/18/12/464211812.db2.gz AMFIQBPMUPSXTF-JTQLQIEISA-N 0 0 349.374 2.286 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000188919409 464395371 /nfs/dbraw/zinc/39/53/71/464395371.db2.gz XOTWSNRFTPCAAQ-MSOLQXFVSA-N 0 0 346.471 2.434 40 0 EEABRN CC(C)Cc1nsc(N2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000241124120 464450570 /nfs/dbraw/zinc/45/05/70/464450570.db2.gz JFUBWMGBPVIARS-AWEZNQCLSA-N 0 0 335.477 2.420 40 0 EEABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O ZINC000243866836 464459494 /nfs/dbraw/zinc/45/94/94/464459494.db2.gz RKNKZSTWMUPGKO-CHWSQXEVSA-N 0 0 336.819 2.297 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000245339335 464471550 /nfs/dbraw/zinc/47/15/50/464471550.db2.gz SCJWDNBHMDHMTN-WRWGMCAJSA-N 0 0 327.783 2.191 40 0 EEABRN COc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1OCCO ZINC000281710686 464557323 /nfs/dbraw/zinc/55/73/23/464557323.db2.gz WONNGPZNYNZZLV-NWDGAFQWSA-N 0 0 325.430 2.032 40 0 EEABRN COC1(CNC(=O)NCCc2ccc(F)c(F)c2)CCOCC1 ZINC000189996638 464581033 /nfs/dbraw/zinc/58/10/33/464581033.db2.gz BAXLZIAUJYTGBQ-UHFFFAOYSA-N 0 0 328.359 2.002 40 0 EEABRN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCS1 ZINC000175603422 464583740 /nfs/dbraw/zinc/58/37/40/464583740.db2.gz RNMZICLKYTVIFR-UKRRQHHQSA-N 0 0 348.468 2.351 40 0 EEABRN COc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1N1CCNC1=O ZINC000175696453 464603557 /nfs/dbraw/zinc/60/35/57/464603557.db2.gz TWPDPCKRGDNQTJ-UHFFFAOYSA-N 0 0 343.387 2.324 40 0 EEABRN Cc1ncsc1CN1Cc2cccn2C[C@@H](C(=O)NC(C)C)C1 ZINC000248009229 464722771 /nfs/dbraw/zinc/72/27/71/464722771.db2.gz FUZYLJCVEAJPDY-AWEZNQCLSA-N 0 0 332.473 2.410 40 0 EEABRN CC(C)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 ZINC000248030165 464724672 /nfs/dbraw/zinc/72/46/72/464724672.db2.gz XJBNHUMFZRWXAD-OAHLLOKOSA-N 0 0 332.473 2.459 40 0 EEABRN CCOc1ccc([C@H](COC)NC(=O)Nc2cncnc2OC)cc1 ZINC000285891226 464733143 /nfs/dbraw/zinc/73/31/43/464733143.db2.gz SJCKDAIASXIEMT-HNNXBMFYSA-N 0 0 346.387 2.393 40 0 EEABRN COc1cc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)on1 ZINC000191957180 464834885 /nfs/dbraw/zinc/83/48/85/464834885.db2.gz IJMYWXFKZDWCMS-VIFPVBQESA-N 0 0 335.326 2.076 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000192270158 464897465 /nfs/dbraw/zinc/89/74/65/464897465.db2.gz RBDBCKCDAGNVQV-GFCCVEGCSA-N 0 0 333.823 2.417 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@@H](C)C(=O)NCCF)c1ccc(F)cc1F ZINC000252508153 464974918 /nfs/dbraw/zinc/97/49/18/464974918.db2.gz XERYYPOIPKEHAI-HZMBPMFUSA-N 0 0 345.365 2.435 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000252584819 464984267 /nfs/dbraw/zinc/98/42/67/464984267.db2.gz CZUAAGZOSYMSTQ-WNRNVDISSA-N 0 0 344.455 2.237 40 0 EEABRN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000253376879 464996858 /nfs/dbraw/zinc/99/68/58/464996858.db2.gz VHUDIFDRYZJSJM-RYUDHWBXSA-N 0 0 330.354 2.078 40 0 EEABRN COc1ccccc1CC1CCN(C(=O)CN2CSCC2=O)CC1 ZINC000253393066 464997628 /nfs/dbraw/zinc/99/76/28/464997628.db2.gz PTPHIZWXAYIWSY-UHFFFAOYSA-N 0 0 348.468 2.009 40 0 EEABRN CCOc1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 ZINC000253394085 464998647 /nfs/dbraw/zinc/99/86/47/464998647.db2.gz ACJVNDQVPLOSRA-BPQIPLTHSA-N 0 0 333.428 2.471 40 0 EEABRN COC(=O)[C@@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)c1cc(C)cc(C)c1 ZINC000253421552 465008796 /nfs/dbraw/zinc/00/87/96/465008796.db2.gz XRIVRNXDNGIGPM-GUYCJALGSA-N 0 0 341.411 2.162 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)c3cnc(C)s3)C2=O)c1 ZINC000253426708 465011335 /nfs/dbraw/zinc/01/13/35/465011335.db2.gz OBIYZRQBDGZWEE-AWEZNQCLSA-N 0 0 345.424 2.386 40 0 EEABRN CN(C)c1ccc(N2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000253433193 465015406 /nfs/dbraw/zinc/01/54/06/465015406.db2.gz TUDGABAKCYZZFR-QGZVFWFLSA-N 0 0 342.443 2.148 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)CCc3ccccc3)C2=O)o1 ZINC000184712318 465020849 /nfs/dbraw/zinc/02/08/49/465020849.db2.gz WGDANFOUPUFZAB-HNAYVOBHSA-N 0 0 342.395 2.349 40 0 EEABRN O=C(NCc1ccc(C(F)F)cc1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000298554245 465430882 /nfs/dbraw/zinc/43/08/82/465430882.db2.gz ZZESOLAJFWTQTA-LBPRGKRZSA-N 0 0 337.330 2.025 40 0 EEABRN CC(C)n1ccnc1S(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000299266289 465672764 /nfs/dbraw/zinc/67/27/64/465672764.db2.gz WCBDDTIQMDGVOY-HZSPNIEDSA-N 0 0 341.477 2.321 40 0 EEABRN Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1nnnn1C ZINC000331657708 466183192 /nfs/dbraw/zinc/18/31/92/466183192.db2.gz SVVGQHPWGNHUIO-UHFFFAOYSA-N 0 0 328.420 2.193 40 0 EEABRN COCC(=O)N1CCC2(Cc3ncc(-c4cccs4)n3C2)CC1 ZINC000306125833 466488459 /nfs/dbraw/zinc/48/84/59/466488459.db2.gz DDEUSVUOULOLKA-UHFFFAOYSA-N 0 0 331.441 2.423 40 0 EEABRN Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)C4=CCCCC4)C3)C2)n1 ZINC000306141259 466493990 /nfs/dbraw/zinc/49/39/90/466493990.db2.gz VPYXIXJGCQVITO-MRXNPFEDSA-N 0 0 343.427 2.424 40 0 EEABRN Cc1cc(C)cc(CSCC(=O)NCCCN2CCOCC2)c1 ZINC000408565754 466681160 /nfs/dbraw/zinc/68/11/60/466681160.db2.gz MCMWUHVJWYBLLF-UHFFFAOYSA-N 0 0 336.501 2.375 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408554894 466681322 /nfs/dbraw/zinc/68/13/22/466681322.db2.gz VJRINTRCWZKQRJ-OLZOCXBDSA-N 0 0 334.441 2.421 40 0 EEABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000409380266 466687881 /nfs/dbraw/zinc/68/78/81/466687881.db2.gz ATLQQULWZJTXQT-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN O=C(NCc1ccco1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390829478 467412333 /nfs/dbraw/zinc/41/23/33/467412333.db2.gz ZJAJCJDDFIKOCH-UHFFFAOYSA-N 0 0 334.379 2.489 40 0 EEABRN Cc1cc(C)nc(O[C@H]2CCN(C(=O)NCCc3ccccc3)C2)n1 ZINC000390828295 467412391 /nfs/dbraw/zinc/41/23/91/467412391.db2.gz PXMHKMPINUPWEI-KRWDZBQOSA-N 0 0 340.427 2.499 40 0 EEABRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Cn1nnc2ccccc21 ZINC000390833393 467414095 /nfs/dbraw/zinc/41/40/95/467414095.db2.gz GVKBEIONQIEMHY-SGTLLEGYSA-N 0 0 342.374 2.463 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@H]4C)C3)C2)cs1 ZINC000575403724 468141575 /nfs/dbraw/zinc/14/15/75/468141575.db2.gz JINVJGWKJNTDLO-DFBGVHRSSA-N 0 0 336.457 2.384 40 0 EEABRN Cc1ccncc1CO[C@H]1CCOC2(CN(C(=O)C3CCC3)C2)C1 ZINC000575406351 468142649 /nfs/dbraw/zinc/14/26/49/468142649.db2.gz ZZNVOWZGIDVLMM-KRWDZBQOSA-N 0 0 330.428 2.467 40 0 EEABRN COc1ccc(C(=O)NCc2nc(C3CCOCC3)no2)cc1F ZINC000575606529 468147034 /nfs/dbraw/zinc/14/70/34/468147034.db2.gz KKTHZSSMBSHWOD-UHFFFAOYSA-N 0 0 335.335 2.041 40 0 EEABRN Cc1occc1C(=O)N1Cc2ncn(C)c2C[C@@H]1COCC1CC1 ZINC000585094820 468963430 /nfs/dbraw/zinc/96/34/30/468963430.db2.gz NXRHCYDBAAJKGU-CQSZACIVSA-N 0 0 329.400 2.315 40 0 EEABRN CCS(=O)(=O)N1Cc2cccn2C[C@H](CCOCC2CC2)C1 ZINC000585095025 468964255 /nfs/dbraw/zinc/96/42/55/468964255.db2.gz AHCJYHMAHIKBBT-HNNXBMFYSA-N 0 0 326.462 2.086 40 0 EEABRN CCCCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@@H]1C ZINC000585096603 468964547 /nfs/dbraw/zinc/96/45/47/468964547.db2.gz VRBNYCOJXOEXTR-ZDUSSCGKSA-N 0 0 332.448 2.045 40 0 EEABRN Cc1cnc(OC[C@@H]2CCn3nccc3CN2Cc2ccco2)nc1 ZINC000585097089 468965731 /nfs/dbraw/zinc/96/57/31/468965731.db2.gz HKRMZDWCZOJJHH-INIZCTEOSA-N 0 0 339.399 2.428 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(CCN(C(=O)C3CC(F)C3)C2)C1 ZINC000585099931 468969199 /nfs/dbraw/zinc/96/91/99/468969199.db2.gz XDGGWKNEPBTMBE-WTNGLUPJSA-N 0 0 334.391 2.482 40 0 EEABRN O=C(N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21)C1(F)CCC1 ZINC000585108273 468971523 /nfs/dbraw/zinc/97/15/23/468971523.db2.gz LTNLOGAZPFXOHH-YESZJQIVSA-N 0 0 348.418 2.496 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](OCc2ccccn2)CS3)no1 ZINC000585105520 468972545 /nfs/dbraw/zinc/97/25/45/468972545.db2.gz YTJRFMAMJQWQRG-AWEZNQCLSA-N 0 0 345.424 2.295 40 0 EEABRN O=C(c1cccc(F)c1)N1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585269213 468997656 /nfs/dbraw/zinc/99/76/56/468997656.db2.gz LVNLLFMKOMZJCO-LJQANCHMSA-N 0 0 345.370 2.108 40 0 EEABRN Cc1cccc(CC(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)n1 ZINC000585277468 469001827 /nfs/dbraw/zinc/00/18/27/469001827.db2.gz VDGVMPBVSKKRBY-LJQANCHMSA-N 0 0 344.386 2.114 40 0 EEABRN CCc1nc(C)c(CN2CCO[C@](CO)(Cc3ccc(F)cc3)C2)[nH]1 ZINC000585276642 469002127 /nfs/dbraw/zinc/00/21/27/469002127.db2.gz GTULJVDVZJZNJT-LJQANCHMSA-N 0 0 347.434 2.226 40 0 EEABRN CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585278565 469005222 /nfs/dbraw/zinc/00/52/22/469005222.db2.gz UDJZCMJXERJZOK-SFHVURJKSA-N 0 0 348.374 2.361 40 0 EEABRN O=C(COCc1ccccc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000390826180 485667950 /nfs/dbraw/zinc/66/79/50/485667950.db2.gz DUGRLKFPDQFHSG-MRXNPFEDSA-N 0 0 326.400 2.146 40 0 EEABRN Cc1cc(C)n(CCOC(=O)c2ccc(-n3cncn3)cc2C)n1 ZINC000076874829 490594534 /nfs/dbraw/zinc/59/45/34/490594534.db2.gz KUFBGIOLBQPSAM-UHFFFAOYSA-N 0 0 325.372 2.246 40 0 EEABRN CC(C)CN(Cc1ccccc1Br)C(=O)CNC(N)=O ZINC000390833275 519718149 /nfs/dbraw/zinc/71/81/49/519718149.db2.gz FLOTWUPVAMXFQH-UHFFFAOYSA-N 0 0 342.237 2.102 40 0 EEABRN O=C(CN1CSCC1=O)N(Cc1ccsc1)c1cccnc1 ZINC000171354330 534551946 /nfs/dbraw/zinc/55/19/46/534551946.db2.gz SMJXHOBPGOLNKD-UHFFFAOYSA-N 0 0 333.438 2.209 40 0 EEABRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000096408633 522008207 /nfs/dbraw/zinc/00/82/07/522008207.db2.gz MVLKDBZGHBRBSH-XMMPIXPASA-N 0 0 347.440 2.435 40 0 EEABRN CN(C)c1cccc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)n1 ZINC000284695023 522277493 /nfs/dbraw/zinc/27/74/93/522277493.db2.gz OWRVIVAMVAMXSU-UHFFFAOYSA-N 0 0 335.452 2.210 40 0 EEABRN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1c(O)cccc1F ZINC000187311116 534817907 /nfs/dbraw/zinc/81/79/07/534817907.db2.gz NLQOVXAUFDEZES-UHFFFAOYSA-N 0 0 348.296 2.062 40 0 EEABRN Cc1cc(NC(=O)CSCc2cn(C)nc2C(F)F)n(C)n1 ZINC000225569787 525156693 /nfs/dbraw/zinc/15/66/93/525156693.db2.gz AWOBATRHBHKXNG-UHFFFAOYSA-N 0 0 329.376 2.272 40 0 EEABRN CC(C)CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408702985 528030224 /nfs/dbraw/zinc/03/02/24/528030224.db2.gz LOYYKZWFYUOYIL-UHFFFAOYSA-N 0 0 330.425 2.144 40 0 EEABRN CC1CCC2(CC1)OC[C@H](CNC(=O)NCCc1ccccn1)O2 ZINC000182414665 528211560 /nfs/dbraw/zinc/21/15/60/528211560.db2.gz QQZJIXHORAAEBL-HQVVEAJESA-N 0 0 333.432 2.245 40 0 EEABRN CC(C)(C)c1ccc2c(c1)N(CC(=O)N[C@H]1CCCOC1)C(=O)CO2 ZINC000012194328 535123628 /nfs/dbraw/zinc/12/36/28/535123628.db2.gz VPAINYUWKMJVCS-AWEZNQCLSA-N 0 0 346.427 2.005 40 0 EEABRN CCc1nnsc1C(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257216572 535864562 /nfs/dbraw/zinc/86/45/62/535864562.db2.gz CVCKVIJPSCYMAJ-NSHDSACASA-N 0 0 346.460 2.027 40 0 EEABRN CO[C@@H]1CCOC[C@H]1NC(=O)NCC1(c2ccc(C)cc2C)CC1 ZINC000895087296 683827831 /nfs/dbraw/zinc/82/78/31/683827831.db2.gz UAAJQWJEPZTNLH-IAGOWNOFSA-N 0 0 332.444 2.438 40 0 EEABRN Cn1cc(-c2nc3n(c2NC(=O)Cc2ccoc2)CCCC3)cn1 ZINC000889844631 1204724798 /nfs/dbraw/zinc/72/47/98/1204724798.db2.gz SHDCESXWWIGZAT-UHFFFAOYSA-N 0 0 325.372 2.394 40 0 EEABRN CCn1cnc2c1CCN(C(=O)Nc1cc([C@H]3CCCO3)nn1C)C2 ZINC000931138550 1206609958 /nfs/dbraw/zinc/60/99/58/1206609958.db2.gz KYIBVSKUDLUQBN-OAHLLOKOSA-N 0 0 344.419 2.078 40 0 EEABRN CC[C@H](OC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@H]1C(=O)O[C@H]3C2)C(=O)c1ccccc1 ZINC000408673906 1369816551 /nfs/dbraw/zinc/81/65/51/1369816551.db2.gz XZRDEPNQDSXNHF-FOLNQXHWSA-N 0 0 328.364 2.389 40 0 EEABRN COC(=O)CNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000199417367 1406141977 /nfs/dbraw/zinc/14/19/77/1406141977.db2.gz NPAQLCCNUIOJSH-ZDUSSCGKSA-N 0 0 334.416 2.454 40 0 EEABRN O=C(C[C@H]1CC(=O)NC1=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000820681514 786016697 /nfs/dbraw/zinc/01/66/97/786016697.db2.gz UAVSBXLUDKJWAN-OXQOHEQNSA-N 0 0 348.402 2.214 40 0 EEABRN COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc(OC)c1O ZINC000199407145 959634207 /nfs/dbraw/zinc/63/42/07/959634207.db2.gz JZEKPEIBKCYRSA-OAHLLOKOSA-N 0 0 343.379 2.421 40 0 EEABRN O=C(Nc1ccc(F)c(F)c1)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549162283 1121133987 /nfs/dbraw/zinc/13/39/87/1121133987.db2.gz OZCFIKKGALYSPK-UHFFFAOYSA-N 0 0 337.326 2.125 40 0 EEABRN O=c1n(Cc2cccc(F)c2)nc2n1C(=O)N(c1cccc(F)c1)C2 ZINC001547201264 1124226826 /nfs/dbraw/zinc/22/68/26/1124226826.db2.gz UIIJBHRZNVLLSP-UHFFFAOYSA-N 0 0 342.305 2.360 40 0 EEABRN O=C(N[C@H](c1nccs1)C1CC1)C1CCN(c2cnccn2)CC1 ZINC000173704507 231009746 /nfs/dbraw/zinc/00/97/46/231009746.db2.gz FUGKBEXHDRQWQJ-HNNXBMFYSA-N 0 0 343.456 2.417 40 0 EEABRN COC(=O)/C=C1\SCC(=O)N1Cc1cc(Cl)ccc1OC ZINC000058132455 214480546 /nfs/dbraw/zinc/48/05/46/214480546.db2.gz PFBGGKZWPYVSSD-MLPAPPSSSA-N 0 0 327.789 2.438 40 0 EEABRN CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408709904 529702899 /nfs/dbraw/zinc/70/28/99/529702899.db2.gz ZHFFUIDPIQGYTB-LBPRGKRZSA-N 0 0 343.383 2.063 40 0 EEABRN CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004475810 210196575 /nfs/dbraw/zinc/19/65/75/210196575.db2.gz SRVYYXPARCVBPE-OGRXGRENSA-N 0 0 342.395 2.055 40 0 EEABRN O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)CCCC2 ZINC000004373887 210182189 /nfs/dbraw/zinc/18/21/89/210182189.db2.gz FJBJZESHHHZUEK-UHFFFAOYSA-N 0 0 341.363 2.314 40 0 EEABRN O=C(Cn1nnc2ccccc21)NCCc1cccc2cccnc21 ZINC000065562399 214961070 /nfs/dbraw/zinc/96/10/70/214961070.db2.gz HZQRLKRFSORKGG-UHFFFAOYSA-N 0 0 331.379 2.338 40 0 EEABRN C[C@H](c1ccccc1F)N(C)C(=O)COc1ccc(CC(N)=O)cc1 ZINC000065584694 214967643 /nfs/dbraw/zinc/96/76/43/214967643.db2.gz IHYLDIVHJLXNSZ-CYBMUJFWSA-N 0 0 344.386 2.452 40 0 EEABRN O=C(Cn1c(=O)sc2c1CCCC2)N1CCC(c2ccccc2)=N1 ZINC000328819755 539761655 /nfs/dbraw/zinc/76/16/55/539761655.db2.gz DYWGXCDMLXJFOL-UHFFFAOYSA-N 0 0 341.436 2.425 40 0 EEABRN COC(=O)c1cc(=O)n(C)/c(=N/c2cccc(C(F)(F)F)c2)s1 ZINC000103736361 219322200 /nfs/dbraw/zinc/32/22/00/219322200.db2.gz BLUFRGFTKPZJGC-AQTBWJFISA-N 0 0 344.314 2.485 40 0 EEABRN Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1CCCCNC1=O ZINC000069329117 215379978 /nfs/dbraw/zinc/37/99/78/215379978.db2.gz GKAKXPZQXSSBJX-JTQLQIEISA-N 0 0 327.331 2.387 40 0 EEABRN Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)C1CC1 ZINC000585123241 539980687 /nfs/dbraw/zinc/98/06/87/539980687.db2.gz KVDIOIZDDCWMBO-PMPSAXMXSA-N 0 0 341.415 2.096 40 0 EEABRN Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)no1 ZINC000039519447 213239619 /nfs/dbraw/zinc/23/96/19/213239619.db2.gz RTGWKPCZOVBDMV-UWWQBHOKSA-N 0 0 348.491 2.042 40 0 EEABRN Fc1cnc(N2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)nc1 ZINC000096158318 283036089 /nfs/dbraw/zinc/03/60/89/283036089.db2.gz IDROLZKEAWOMFD-MRXNPFEDSA-N 0 0 332.358 2.042 40 0 EEABRN COc1ccc2[nH]c(CN3CCN(C(=O)C4CCCC4)CC3)nc2c1 ZINC000038670664 213219209 /nfs/dbraw/zinc/21/92/09/213219209.db2.gz JUIGQVPWJDVVJB-UHFFFAOYSA-N 0 0 342.443 2.406 40 0 EEABRN Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C(C)(C)C)c1=O ZINC000038486427 213210561 /nfs/dbraw/zinc/21/05/61/213210561.db2.gz QRCFNVLWLFRVQC-UHFFFAOYSA-N 0 0 333.432 2.386 40 0 EEABRN Cc1c([C@H](C)NCc2nnc3n2CCCC3)cnn1-c1ccccn1 ZINC000183851350 235243244 /nfs/dbraw/zinc/24/32/44/235243244.db2.gz UTAHITGTJGCWOR-ZDUSSCGKSA-N 0 0 337.431 2.354 40 0 EEABRN C[C@@H]1CN(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000185996776 235805624 /nfs/dbraw/zinc/80/56/24/235805624.db2.gz NAJAVOXLRMDISH-AHIWAGSCSA-N 0 0 346.406 2.467 40 0 EEABRN NC(=O)N1CC[C@@H](NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000186901453 236058289 /nfs/dbraw/zinc/05/82/89/236058289.db2.gz IQDFIEGOWOFXCA-GFCCVEGCSA-N 0 0 341.333 2.006 40 0 EEABRN COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005415909 236892860 /nfs/dbraw/zinc/89/28/60/236892860.db2.gz YKLYEQNIEJGYHU-ZDUSSCGKSA-N 0 0 348.424 2.309 40 0 EEABRN C[C@@H](c1ccccc1)n1cc2[nH]c(N3CCC(O)CC3)ncc-2c1=O ZINC000072260027 216084651 /nfs/dbraw/zinc/08/46/51/216084651.db2.gz LRGHMVRUGHYQEB-ZDUSSCGKSA-N 0 0 338.411 2.155 40 0 EEABRN Cc1cc(-c2cnc(NCC[S@](C)=O)nc2-c2ccco2)on1 ZINC000072338433 216157882 /nfs/dbraw/zinc/15/78/82/216157882.db2.gz SQHXGFQPBXWISS-HSZRJFAPSA-N 0 0 332.385 2.490 40 0 EEABRN CCc1c(C)nc2cc(C3CCOCC3)nn2c1N1CCC(O)CC1 ZINC000072336885 216158187 /nfs/dbraw/zinc/15/81/87/216158187.db2.gz YBKNPKDEZAQKRL-UHFFFAOYSA-N 0 0 344.459 2.455 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072362309 216169012 /nfs/dbraw/zinc/16/90/12/216169012.db2.gz PURMBJNKMHBTNH-LLVKDONJSA-N 0 0 333.417 2.029 40 0 EEABRN Cc1cc2c(nc3n(c2=O)CCN(Cc2ccccn2)CC3)s1 ZINC000072397014 216192057 /nfs/dbraw/zinc/19/20/57/216192057.db2.gz QUHOSDUTPSFPLG-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccnc1 ZINC000072720704 216299927 /nfs/dbraw/zinc/29/99/27/216299927.db2.gz ZPUIXWKMIUJYOJ-UHFFFAOYSA-N 0 0 337.348 2.378 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108525670 219897393 /nfs/dbraw/zinc/89/73/93/219897393.db2.gz AYTBJDOXGCSYCJ-RDJZCZTQSA-N 0 0 348.487 2.300 40 0 EEABRN Nc1nnc(CCN2C(=O)S/C(=C/c3ccccc3)C2=O)s1 ZINC000001056881 283703164 /nfs/dbraw/zinc/70/31/64/283703164.db2.gz GVWLYZRHGZVKDL-CSKARUKUSA-N 0 0 332.410 2.399 40 0 EEABRN CO[C@]1(C)C[C@@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C1(C)C ZINC000074975874 216542749 /nfs/dbraw/zinc/54/27/49/216542749.db2.gz USMRMFMAZIRKBK-GDBMZVCRSA-N 0 0 325.430 2.371 40 0 EEABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC000075162366 216590767 /nfs/dbraw/zinc/59/07/67/216590767.db2.gz VPLXFLMYQYXTEZ-CABZTGNLSA-N 0 0 332.743 2.443 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)N[C@@H](C)c3cn(C)nc3C)CCO2)n1 ZINC000194204274 240479436 /nfs/dbraw/zinc/47/94/36/240479436.db2.gz ZIUHSCZDMOPDLT-SMDDNHRTSA-N 0 0 349.460 2.338 40 0 EEABRN CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(C(=O)OC)CC1 ZINC000219560683 241395835 /nfs/dbraw/zinc/39/58/35/241395835.db2.gz DUEUBQBVVGFPJB-AWEZNQCLSA-N 0 0 335.400 2.264 40 0 EEABRN COc1cccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000224890222 241784277 /nfs/dbraw/zinc/78/42/77/241784277.db2.gz UZTDFNGWIJQUGK-UHFFFAOYSA-N 0 0 334.397 2.479 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000225211400 241811014 /nfs/dbraw/zinc/81/10/14/241811014.db2.gz OSVJFJUBNJSSPO-AWEZNQCLSA-N 0 0 344.386 2.368 40 0 EEABRN CC1(C)[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000230096677 242230618 /nfs/dbraw/zinc/23/06/18/242230618.db2.gz JTBNNJNEAGAFGO-GMTAPVOTSA-N 0 0 332.326 2.380 40 0 EEABRN CSC[C@H](C)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000076301854 216744315 /nfs/dbraw/zinc/74/43/15/216744315.db2.gz GTYAGLLQPPXVEQ-NSHDSACASA-N 0 0 342.486 2.016 40 0 EEABRN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193919 243388701 /nfs/dbraw/zinc/38/87/01/243388701.db2.gz OJMPNOPMCFXEOE-ZIAGYGMSSA-N 0 0 331.420 2.406 40 0 EEABRN c1cncc(CN2CC3(C2)OCC[C@@H]3COCc2ccncc2)c1 ZINC000247909329 243477761 /nfs/dbraw/zinc/47/77/61/243477761.db2.gz XYLJWVNGFZAAQL-GOSISDBHSA-N 0 0 325.412 2.284 40 0 EEABRN Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CC(=O)NC2CCC2)C1 ZINC000252022827 243751645 /nfs/dbraw/zinc/75/16/45/243751645.db2.gz ZMMQETCWSHEMTC-INIZCTEOSA-N 0 0 343.431 2.104 40 0 EEABRN Cn1nnnc1CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000252500622 243822840 /nfs/dbraw/zinc/82/28/40/243822840.db2.gz SZKXYYODLADMQY-HSZRJFAPSA-N 0 0 327.413 2.130 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)no1 ZINC000253477017 243999250 /nfs/dbraw/zinc/99/92/50/243999250.db2.gz CLUAQYNSINMECE-CYBMUJFWSA-N 0 0 331.397 2.157 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccncc2)c(Cl)c1 ZINC000020458452 212133219 /nfs/dbraw/zinc/13/32/19/212133219.db2.gz VBTHIJCXHCSRSN-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2cccnc2)C3)nc1 ZINC000253600017 244032643 /nfs/dbraw/zinc/03/26/43/244032643.db2.gz AHYDWUTWRYEBPC-QGZVFWFLSA-N 0 0 339.443 2.273 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257204666 244130114 /nfs/dbraw/zinc/13/01/14/244130114.db2.gz AVUQWBZDUDRCDS-AWEZNQCLSA-N 0 0 335.473 2.343 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000257200018 244115192 /nfs/dbraw/zinc/11/51/92/244115192.db2.gz ABQWBMZCGSWSQY-CQSZACIVSA-N 0 0 343.431 2.147 40 0 EEABRN Cc1nccc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257202357 244123904 /nfs/dbraw/zinc/12/39/04/244123904.db2.gz ALKMBIXAMWDTHA-IBGZPJMESA-N 0 0 337.423 2.416 40 0 EEABRN CCCc1cc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)no1 ZINC000257226563 244201737 /nfs/dbraw/zinc/20/17/37/244201737.db2.gz FLEJRFWTDJUBAR-MRXNPFEDSA-N 0 0 344.415 2.302 40 0 EEABRN Cc1ccnc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257227548 244204007 /nfs/dbraw/zinc/20/40/07/244204007.db2.gz FPVNJWDBJSKRAQ-INIZCTEOSA-N 0 0 329.375 2.457 40 0 EEABRN Cn1cncc1C[NH+]1CCC(c2cccc(CCC(=O)[O-])n2)CC1 ZINC000257231540 244212002 /nfs/dbraw/zinc/21/20/02/244212002.db2.gz GHEXEWJTGUASST-UHFFFAOYSA-N 0 0 328.416 2.212 40 0 EEABRN COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2ccnc(C)n2)cc1 ZINC000257230826 244213243 /nfs/dbraw/zinc/21/32/43/244213243.db2.gz GECAIIOTVJFVJN-KRWDZBQOSA-N 0 0 349.394 2.387 40 0 EEABRN Cn1nccc1C(=O)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257219384 244178822 /nfs/dbraw/zinc/17/88/22/244178822.db2.gz DGPCWQAOJDSJQA-HNNXBMFYSA-N 0 0 338.411 2.233 40 0 EEABRN COc1cccc(CN2CCC[C@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243671 244251054 /nfs/dbraw/zinc/25/10/54/244251054.db2.gz IIAHMFBLBODIRN-LJQANCHMSA-N 0 0 340.427 2.065 40 0 EEABRN CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000257243581 244251181 /nfs/dbraw/zinc/25/11/81/244251181.db2.gz IHQANBMNOWLWOO-CYBMUJFWSA-N 0 0 345.472 2.307 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)n1 ZINC000257234972 244226996 /nfs/dbraw/zinc/22/69/96/244226996.db2.gz GVVQPQOEISPLGO-AWEZNQCLSA-N 0 0 328.416 2.466 40 0 EEABRN Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000257237328 244231885 /nfs/dbraw/zinc/23/18/85/244231885.db2.gz HFZXMMYSRSOCIL-KBAYOESNSA-N 0 0 341.411 2.266 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257241642 244243682 /nfs/dbraw/zinc/24/36/82/244243682.db2.gz HYWQTFRSLVBEHC-CRAIPNDOSA-N 0 0 348.374 2.475 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cccs2)n1 ZINC000257242395 244246647 /nfs/dbraw/zinc/24/66/47/244246647.db2.gz ICGZACZKSVMHSI-CQSZACIVSA-N 0 0 330.413 2.152 40 0 EEABRN O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@H](c2cnccn2)C1 ZINC000257255783 244282490 /nfs/dbraw/zinc/28/24/90/244282490.db2.gz KIVNORCTHUWZRY-INIZCTEOSA-N 0 0 326.331 2.311 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCCn2ccnc2)nc(C)n1 ZINC000257262140 244350263 /nfs/dbraw/zinc/35/02/63/244350263.db2.gz LKGOWLDHBMURPG-HNNXBMFYSA-N 0 0 328.420 2.167 40 0 EEABRN Cc1c(CN2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)cnn1C ZINC000257275502 244392090 /nfs/dbraw/zinc/39/20/90/244392090.db2.gz NPRCEYPGKSPHIE-SFHVURJKSA-N 0 0 329.448 2.071 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2sccc2C)n1 ZINC000257278049 244398164 /nfs/dbraw/zinc/39/81/64/244398164.db2.gz OAOCYMATTCEBJJ-LBPRGKRZSA-N 0 0 332.429 2.410 40 0 EEABRN COc1cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)nc(OC)n1 ZINC000019550359 212040886 /nfs/dbraw/zinc/04/08/86/212040886.db2.gz NPCFVYMIGGJYDL-UHFFFAOYSA-N 0 0 346.362 2.485 40 0 EEABRN CCOc1cc(C)ccc1OCC(=O)N1CCCc2c(cnn2C)C1 ZINC000019532252 212040040 /nfs/dbraw/zinc/04/00/40/212040040.db2.gz HMENCXLCIQJLIL-UHFFFAOYSA-N 0 0 343.427 2.481 40 0 EEABRN C[C@H](NC(=O)CCc1ccncc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019458407 212029711 /nfs/dbraw/zinc/02/97/11/212029711.db2.gz UCZVBPHCCIDAKZ-ZDUSSCGKSA-N 0 0 349.394 2.037 40 0 EEABRN O=C(NCCn1nc2c(cc1=O)CCCCC2)c1ccc(F)cc1 ZINC000019332173 212016819 /nfs/dbraw/zinc/01/68/19/212016819.db2.gz OCDJKDOZXFCETA-UHFFFAOYSA-N 0 0 329.375 2.081 40 0 EEABRN Cc1nc(C)n(CC(=O)NCC2(c3ccc(C)cc3)CCOCC2)n1 ZINC000019208692 212003996 /nfs/dbraw/zinc/00/39/96/212003996.db2.gz GRDREUMJLOQSNM-UHFFFAOYSA-N 0 0 342.443 2.068 40 0 EEABRN Cc1cccc2c(CCNC(=O)N3CCOC[C@@H]3C[C@H](C)O)c[nH]c21 ZINC000135313122 223567817 /nfs/dbraw/zinc/56/78/17/223567817.db2.gz XUHCPSHUMYBKME-HOCLYGCPSA-N 0 0 345.443 2.200 40 0 EEABRN CCc1nc(CN2CCN(C(=O)CSc3ccccc3)CC2)no1 ZINC000078777115 217120002 /nfs/dbraw/zinc/12/00/02/217120002.db2.gz QDCYLGFLKYAUGG-UHFFFAOYSA-N 0 0 346.456 2.069 40 0 EEABRN O=C(Cc1noc2ccccc12)NCC[S@@](=O)Cc1ccccc1 ZINC000078778906 217120394 /nfs/dbraw/zinc/12/03/94/217120394.db2.gz PXGLERVASKYNEY-DEOSSOPVSA-N 0 0 342.420 2.435 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCCC3)cc2F)n1 ZINC000078991326 217167721 /nfs/dbraw/zinc/16/77/21/217167721.db2.gz CPBNZEGZDBPBOM-UHFFFAOYSA-N 0 0 345.374 2.407 40 0 EEABRN Cn1cnnc1CCNC(=O)c1csc(-c2ccccc2F)n1 ZINC000079001177 217170659 /nfs/dbraw/zinc/17/06/59/217170659.db2.gz MFSWTQOYVOIWEJ-UHFFFAOYSA-N 0 0 331.376 2.050 40 0 EEABRN O=C(CSc1ncnc2[nH]cnc21)N1CCc2ccccc2C1 ZINC000016524772 211910461 /nfs/dbraw/zinc/91/04/61/211910461.db2.gz RSLAPEWJSRYALU-UHFFFAOYSA-N 0 0 325.397 2.030 40 0 EEABRN Cc1cc(NC(=O)CN2CCC[C@@H]2COc2ccccc2)n(C)n1 ZINC000079100057 217193165 /nfs/dbraw/zinc/19/31/65/217193165.db2.gz YQYTWTIKBUWUCM-OAHLLOKOSA-N 0 0 328.416 2.210 40 0 EEABRN C[C@@](O)(CNC(=O)NCCc1cn2ccccc2n1)c1ccccc1 ZINC000079349241 217212140 /nfs/dbraw/zinc/21/21/40/217212140.db2.gz WHIRARYUVOHRJU-LJQANCHMSA-N 0 0 338.411 2.084 40 0 EEABRN Cc1cc2c(cc1C)O[C@H](C(=O)NCc1nc(-c3ccco3)n[nH]1)C2 ZINC000080075043 217277250 /nfs/dbraw/zinc/27/72/50/217277250.db2.gz PCWRXXOMNJVCME-HNNXBMFYSA-N 0 0 338.367 2.301 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)C(C)(C)c2cccc(Cl)c2)cn1 ZINC000080893260 217337988 /nfs/dbraw/zinc/33/79/88/217337988.db2.gz RLYLDUSODRPKIJ-QGZVFWFLSA-N 0 0 335.835 2.375 40 0 EEABRN CCN1CCO[C@@H](C(=O)N2CCC[C@H](COc3ccccc3)C2)C1 ZINC000081418402 217393029 /nfs/dbraw/zinc/39/30/29/217393029.db2.gz IGEPWZAGQAOVPC-FUHWJXTLSA-N 0 0 332.444 2.025 40 0 EEABRN Cc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)no2)cn1 ZINC000013227815 211536715 /nfs/dbraw/zinc/53/67/15/211536715.db2.gz ACBGHBGERPIOGM-ZWNOBZJWSA-N 0 0 327.388 2.197 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NC3(c4ccccc4)CC3)cc2oc1=O ZINC000012362011 211355885 /nfs/dbraw/zinc/35/58/85/211355885.db2.gz SYFFDSLMDUBQSX-UHFFFAOYSA-N 0 0 344.392 2.099 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N3CCC(C)CC3)c(=O)c1n2C ZINC000012183561 211312073 /nfs/dbraw/zinc/31/20/73/211312073.db2.gz SDSOWZOMBPEIGW-UHFFFAOYSA-N 0 0 342.399 2.048 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000012228380 211324772 /nfs/dbraw/zinc/32/47/72/211324772.db2.gz AHFCPAKOAYSBAF-UHFFFAOYSA-N 0 0 339.374 2.441 40 0 EEABRN COc1ccccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120665 211299852 /nfs/dbraw/zinc/29/98/52/211299852.db2.gz QBEWZEQQMHHLNL-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN CCc1nn(CC(=O)NC2CCCCC2)c(=O)c2cc3occc3n21 ZINC000012115461 211294874 /nfs/dbraw/zinc/29/48/74/211294874.db2.gz LQEAZCGDKSWPQE-UHFFFAOYSA-N 0 0 342.399 2.254 40 0 EEABRN CC[C@H](Cn1nc(-c2ccoc2C)oc1=O)NC(=O)C1CCCC1 ZINC000012084748 211287600 /nfs/dbraw/zinc/28/76/00/211287600.db2.gz UAIFYDLSDHFJMO-CYBMUJFWSA-N 0 0 333.388 2.490 40 0 EEABRN CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)N2N1 ZINC000010152895 211150776 /nfs/dbraw/zinc/15/07/76/211150776.db2.gz SUNSQDPOQQAFTM-AWEZNQCLSA-N 0 0 341.415 2.065 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](N(C)CC3=CCCOC3)C2=O)c1 ZINC000093840875 218253380 /nfs/dbraw/zinc/25/33/80/218253380.db2.gz BSFZUKZWCODKIP-SFHVURJKSA-N 0 0 346.427 2.088 40 0 EEABRN C[C@H](C(=O)N1CCCCCC1)N1CCN(C(=O)CCC2CC2)CC1 ZINC000095397490 218329612 /nfs/dbraw/zinc/32/96/12/218329612.db2.gz YXFKZZBVFCUCPM-MRXNPFEDSA-N 0 0 335.492 2.112 40 0 EEABRN CCC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000095440493 218384549 /nfs/dbraw/zinc/38/45/49/218384549.db2.gz AQGFDVALYWVKHK-UHFFFAOYSA-N 0 0 338.473 2.275 40 0 EEABRN Cc1csc([C@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)n1 ZINC000096046086 218533296 /nfs/dbraw/zinc/53/32/96/218533296.db2.gz VRMGMSKKRQKFNE-IACUBPJLSA-N 0 0 330.413 2.234 40 0 EEABRN Cc1cccc(CNC(=O)COCc2nc(-c3ccncc3)no2)c1 ZINC000096182021 218644369 /nfs/dbraw/zinc/64/43/69/218644369.db2.gz MCUZXOVAHMVZSK-UHFFFAOYSA-N 0 0 338.367 2.273 40 0 EEABRN Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)C1CCC1)C2 ZINC000096198031 218668226 /nfs/dbraw/zinc/66/82/26/218668226.db2.gz ZMCMGFWCKMHXNZ-HNNXBMFYSA-N 0 0 326.400 2.120 40 0 EEABRN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2ccoc2)cn1 ZINC000096200695 218671757 /nfs/dbraw/zinc/67/17/57/218671757.db2.gz HGCDMIZUACTRIL-IRXDYDNUSA-N 0 0 329.400 2.266 40 0 EEABRN Cc1cc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)no1 ZINC000096207552 218683605 /nfs/dbraw/zinc/68/36/05/218683605.db2.gz ROPDOYOAKOZDTB-OAHLLOKOSA-N 0 0 339.399 2.286 40 0 EEABRN CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224973 218700805 /nfs/dbraw/zinc/70/08/05/218700805.db2.gz WJOJSIBXTIFPHE-MRXNPFEDSA-N 0 0 345.443 2.017 40 0 EEABRN c1cnc(N2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)nc1 ZINC000096250041 218721268 /nfs/dbraw/zinc/72/12/68/218721268.db2.gz PHUASLJELSLMJX-BRWVUGGUSA-N 0 0 326.400 2.072 40 0 EEABRN CN(C)c1cccc([C@@H]2CCCN2C(=O)NCC(=O)N2CCCC2)c1 ZINC000096410453 218764230 /nfs/dbraw/zinc/76/42/30/218764230.db2.gz OLUWLKNIJSRTKL-KRWDZBQOSA-N 0 0 344.459 2.222 40 0 EEABRN O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1ccccc1 ZINC000096412403 218768418 /nfs/dbraw/zinc/76/84/18/218768418.db2.gz YFZYVCCBPOUTHE-UHFFFAOYSA-N 0 0 344.440 2.041 40 0 EEABRN Cc1ccc(-n2cc(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)cn2)cc1 ZINC000096421224 218787027 /nfs/dbraw/zinc/78/70/27/218787027.db2.gz IYCNTJDSKRPCHA-DLBZAZTESA-N 0 0 347.440 2.123 40 0 EEABRN Cc1ccc([C@@H]2CN(CC(=O)NCc3cccnc3)CCO2)c(C)c1 ZINC000096441476 218822972 /nfs/dbraw/zinc/82/29/72/218822972.db2.gz GCHNWWPCXONNCM-IBGZPJMESA-N 0 0 339.439 2.388 40 0 EEABRN C[C@@H](CCc1cccn1C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000096444551 218826567 /nfs/dbraw/zinc/82/65/67/218826567.db2.gz KWCMNASCJRYGJS-ZDUSSCGKSA-N 0 0 339.403 2.144 40 0 EEABRN C[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)[C@@H](c2ccccc2)CO1 ZINC000096461457 218843907 /nfs/dbraw/zinc/84/39/07/218843907.db2.gz MUFUHDZYTONLTB-CZUORRHYSA-N 0 0 344.436 2.467 40 0 EEABRN C[C@H](CC(=O)c1ccco1)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000096469136 218848874 /nfs/dbraw/zinc/84/88/74/218848874.db2.gz PYISGPUBEVFPRA-LLVKDONJSA-N 0 0 328.368 2.238 40 0 EEABRN Cc1ccc(NCCNC(=O)c2c(C)c3ccccc3oc2=O)nn1 ZINC000096456337 218841338 /nfs/dbraw/zinc/84/13/38/218841338.db2.gz TYSVDVOHYVQHQA-UHFFFAOYSA-N 0 0 338.367 2.042 40 0 EEABRN Fc1ccc(CN(CCc2ccccn2)c2ccc3nnnn3n2)cc1 ZINC000096482723 218858316 /nfs/dbraw/zinc/85/83/16/218858316.db2.gz YBZOFHPEXZNZOV-UHFFFAOYSA-N 0 0 349.373 2.303 40 0 EEABRN CSc1ccccc1S(=O)(=O)NC[C@@H](C)Cn1cccn1 ZINC000186979476 533052123 /nfs/dbraw/zinc/05/21/23/533052123.db2.gz YSFAWTBISRPRHS-GFCCVEGCSA-N 0 0 325.459 2.220 40 0 EEABRN CO[C@@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccccc2)C1 ZINC000096501312 218877685 /nfs/dbraw/zinc/87/76/85/218877685.db2.gz SHLKSEXJIHLSEO-MRXNPFEDSA-N 0 0 328.416 2.408 40 0 EEABRN Cn1c(=O)oc2c1cccc2C(=O)NC[C@H]1OCCc2sccc21 ZINC000097229875 219000427 /nfs/dbraw/zinc/00/04/27/219000427.db2.gz UGATXPMYUKMFSK-CYBMUJFWSA-N 0 0 344.392 2.237 40 0 EEABRN Cc1cnc(C(=O)N2CCn3c(ncc3-c3cccs3)C2)cn1 ZINC000306134819 257921486 /nfs/dbraw/zinc/92/14/86/257921486.db2.gz NYSCWNYMEMJKCO-UHFFFAOYSA-N 0 0 325.397 2.366 40 0 EEABRN CC[C@H](COC)NC(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000283390186 257987200 /nfs/dbraw/zinc/98/72/00/257987200.db2.gz GLIAPNLYAZNGBT-CYBMUJFWSA-N 0 0 335.383 2.320 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C2(C)CC2)c(OC)c1 ZINC000276089190 257989710 /nfs/dbraw/zinc/98/97/10/257989710.db2.gz UEQKBVNDRUWCGB-LLVKDONJSA-N 0 0 341.429 2.291 40 0 EEABRN O=C(CN1CCC(=O)NC1=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000078611855 258065572 /nfs/dbraw/zinc/06/55/72/258065572.db2.gz WBSNDWYDNLHCIT-UHFFFAOYSA-N 0 0 349.818 2.167 40 0 EEABRN COc1c(Br)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1C ZINC000096181042 286175222 /nfs/dbraw/zinc/17/52/22/286175222.db2.gz MABREHPODAWHGP-RKDXNWHRSA-N 0 0 330.226 2.309 40 0 EEABRN Cn1ncc2c1ncn(Cc1coc(-c3c(F)cccc3F)n1)c2=O ZINC000118965642 159369571 /nfs/dbraw/zinc/36/95/71/159369571.db2.gz FDOUWLNNQFMHRI-UHFFFAOYSA-N 0 0 343.293 2.112 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](c1ccccc1)N(C)C)CC2 ZINC000247332339 160320681 /nfs/dbraw/zinc/32/06/81/160320681.db2.gz XXWSXEKVDBYXSP-KSZLIROESA-N 0 0 346.471 2.068 40 0 EEABRN CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000170690250 226702290 /nfs/dbraw/zinc/70/22/90/226702290.db2.gz GFXCBTJXTCYUBE-CYBMUJFWSA-N 0 0 336.417 2.070 40 0 EEABRN Cn1nc(C2CCCCC2)cc1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000272782980 269019679 /nfs/dbraw/zinc/01/96/79/269019679.db2.gz VIWPXQNUHGRJIB-UHFFFAOYSA-N 0 0 340.387 2.056 40 0 EEABRN O=C1[C@H](N2CCC3(CC2)OCCO3)CCN1c1cccc(Cl)c1 ZINC000096455894 275028992 /nfs/dbraw/zinc/02/89/92/275028992.db2.gz MSFZGELCNJXSPF-OAHLLOKOSA-N 0 0 336.819 2.284 40 0 EEABRN CC(C)CCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CC(C)(C)C3 ZINC000022610582 275566085 /nfs/dbraw/zinc/56/60/85/275566085.db2.gz YCDOPAHFVHESCE-UHFFFAOYSA-N 0 0 343.427 2.296 40 0 EEABRN CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(OC)cccc3[C@H]12 ZINC000019418592 279530578 /nfs/dbraw/zinc/53/05/78/279530578.db2.gz AIZKYMCANWAIAL-OAHLLOKOSA-N 0 0 329.352 2.412 40 0 EEABRN C[C@H](CCC1CC1)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000252549991 298381514 /nfs/dbraw/zinc/38/15/14/298381514.db2.gz RYSZDOGMSJWWIF-HYVNUMGLSA-N 0 0 334.460 2.123 40 0 EEABRN C[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)c2cccnc2O1 ZINC000410606874 312472824 /nfs/dbraw/zinc/47/28/24/312472824.db2.gz KQTWKGCMKYBKCL-LLVKDONJSA-N 0 0 325.359 2.173 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000097095296 323320203 /nfs/dbraw/zinc/32/02/03/323320203.db2.gz OKMBWSNOMRTTAQ-RISCZKNCSA-N 0 0 346.349 2.387 40 0 EEABRN CC(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000097100132 323320417 /nfs/dbraw/zinc/32/04/17/323320417.db2.gz LBCDYTILBMWZKD-LLVKDONJSA-N 0 0 337.729 2.379 40 0 EEABRN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccccc1-n1ccnn1 ZINC000097372593 323322135 /nfs/dbraw/zinc/32/21/35/323322135.db2.gz OLZJWJNQHLUKAT-PBHICJAKSA-N 0 0 328.416 2.328 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)CCc2ncc(C)s2)c(F)c1 ZINC000195579962 323515224 /nfs/dbraw/zinc/51/52/24/323515224.db2.gz XTCKPMMEIBMKEV-UHFFFAOYSA-N 0 0 344.433 2.462 40 0 EEABRN CC[C@]1(C)CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000195574741 323515449 /nfs/dbraw/zinc/51/54/49/323515449.db2.gz JDEHTAMBBGIKML-TZMCWYRMSA-N 0 0 337.386 2.081 40 0 EEABRN CC[C@](Br)(C(=O)c1ccc(N)cc1)S(=O)(=O)CC ZINC000096518711 463293496 /nfs/dbraw/zinc/29/34/96/463293496.db2.gz TYHFZYMNRYLHHV-GFCCVEGCSA-N 0 0 334.235 2.387 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1c(F)cc(Cl)cc1Cl ZINC000285367427 464538660 /nfs/dbraw/zinc/53/86/60/464538660.db2.gz WZHALGRRAHWPQM-ZCFIWIBFSA-N 0 0 343.207 2.351 40 0 EEABRN Cc1noc([C@H](C)NC(=O)COc2ccc(Br)cc2)n1 ZINC000060241683 462540514 /nfs/dbraw/zinc/54/05/14/462540514.db2.gz MUTWRTWJKOQYQD-QMMMGPOBSA-N 0 0 340.177 2.397 40 0 EEABRN COc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1O ZINC000000147844 462543564 /nfs/dbraw/zinc/54/35/64/462543564.db2.gz JTGUXSILNVYJHF-OAHLLOKOSA-N 0 0 344.371 2.233 40 0 EEABRN O=C(c1ccc(F)cc1Cl)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436679 462547399 /nfs/dbraw/zinc/54/73/99/462547399.db2.gz UTWUXCCHLXWLRM-HNNXBMFYSA-N 0 0 326.799 2.008 40 0 EEABRN O=C(c1cccs1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000085473394 462550677 /nfs/dbraw/zinc/55/06/77/462550677.db2.gz KTDQTUZMBKYJIG-ZDUSSCGKSA-N 0 0 326.487 2.028 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000412344 462559495 /nfs/dbraw/zinc/55/94/95/462559495.db2.gz PPFUSIKWXRRBNB-GFCCVEGCSA-N 0 0 344.864 2.265 40 0 EEABRN Cc1nn(-c2ccccc2)c(Sc2nc(N)cc(N)n2)c1C=O ZINC000000419985 462561539 /nfs/dbraw/zinc/56/15/39/462561539.db2.gz JMAWDLRXVBBQNS-UHFFFAOYSA-N 0 0 326.385 2.099 40 0 EEABRN Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)cc1 ZINC000000488250 462566449 /nfs/dbraw/zinc/56/64/49/462566449.db2.gz QNNALCYTHRGLNR-LJCCNALRSA-N 0 0 341.407 2.481 40 0 EEABRN CCCCCN(CCCCC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000003019670 462609168 /nfs/dbraw/zinc/60/91/68/462609168.db2.gz BNMFJDGJTWTQFB-UHFFFAOYSA-N 0 0 335.452 2.147 40 0 EEABRN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(N)=O ZINC000004062922 462628244 /nfs/dbraw/zinc/62/82/44/462628244.db2.gz NSQCTWVLEZYELM-LZQZEXGQSA-N 0 0 332.444 2.239 40 0 EEABRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](n3nc(C)cc3C)C2=O)cc1 ZINC000006155054 462678715 /nfs/dbraw/zinc/67/87/15/462678715.db2.gz FGAVPXDVNOYGBC-OAHLLOKOSA-N 0 0 341.367 2.181 40 0 EEABRN NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006472449 462687162 /nfs/dbraw/zinc/68/71/62/462687162.db2.gz XXAMHBKUZMELQJ-UHFFFAOYSA-N 0 0 340.788 2.005 40 0 EEABRN Cc1c(F)cccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000006825159 462708216 /nfs/dbraw/zinc/70/82/16/462708216.db2.gz JVFDIQATCLVRMR-FZMZJTMJSA-N 0 0 338.379 2.443 40 0 EEABRN CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCC(N)=O ZINC000006870221 462709429 /nfs/dbraw/zinc/70/94/29/462709429.db2.gz NDLVAKZYSUPFJW-UHFFFAOYSA-N 0 0 349.818 2.288 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000006945310 462713988 /nfs/dbraw/zinc/71/39/88/462713988.db2.gz STWFOWJWJLYRCK-LLVKDONJSA-N 0 0 332.853 2.411 40 0 EEABRN CCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008040818 462763913 /nfs/dbraw/zinc/76/39/13/462763913.db2.gz RWKSUXVOSIBBCT-UHFFFAOYSA-N 0 0 332.853 2.412 40 0 EEABRN O=C(CCC(=O)OCC(=O)Nc1ccccc1)NCc1ccccc1 ZINC000008433573 462783561 /nfs/dbraw/zinc/78/35/61/462783561.db2.gz FMVBIKDENSZBGK-UHFFFAOYSA-N 0 0 340.379 2.265 40 0 EEABRN CCCn1c2nnc(S[C@H](C)C(=O)OC)n2c2ccccc2c1=O ZINC000008747292 462794874 /nfs/dbraw/zinc/79/48/74/462794874.db2.gz HXQRAOPAPNUDDU-SNVBAGLBSA-N 0 0 346.412 2.108 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000009913934 462809415 /nfs/dbraw/zinc/80/94/15/462809415.db2.gz RYUCBWIUTZZUTM-UHFFFAOYSA-N 0 0 326.396 2.060 40 0 EEABRN Cc1ccc(Cl)cc1N(CCCC(=O)N(C)C)S(C)(=O)=O ZINC000010328525 462817138 /nfs/dbraw/zinc/81/71/38/462817138.db2.gz GLONKSDEOXZFPA-UHFFFAOYSA-N 0 0 332.853 2.283 40 0 EEABRN O=C(CN1c2ccccc2C2=NCCCN2C1=O)NCc1ccccc1 ZINC000012142779 462845424 /nfs/dbraw/zinc/84/54/24/462845424.db2.gz ZOPNLLDSXPKSGL-UHFFFAOYSA-N 0 0 348.406 2.395 40 0 EEABRN Cc1ccc(Cl)cc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000012631596 462860683 /nfs/dbraw/zinc/86/06/83/462860683.db2.gz FHOGTDDHTNEESA-VNHYZAJKSA-N 0 0 335.835 2.376 40 0 EEABRN COCc1nc2nc(SC)nn2c(N)c1-c1ccccc1OC ZINC000013638145 462898764 /nfs/dbraw/zinc/89/87/64/462898764.db2.gz IPADHVIPSVQHGZ-UHFFFAOYSA-N 0 0 331.401 2.250 40 0 EEABRN Cn1ccnc1[C@H](O)C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000091744988 462902961 /nfs/dbraw/zinc/90/29/61/462902961.db2.gz JAZLKAUGXNRFJP-CQSZACIVSA-N 0 0 338.358 2.367 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000133388354 462926499 /nfs/dbraw/zinc/92/64/99/462926499.db2.gz QFHKYUMMBYNWJX-WDEREUQCSA-N 0 0 348.262 2.461 40 0 EEABRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)s1 ZINC000014405796 462927734 /nfs/dbraw/zinc/92/77/34/462927734.db2.gz JXIRRIZMOWWKCZ-UHFFFAOYSA-N 0 0 327.369 2.284 40 0 EEABRN CC(=O)Nc1nc2c(s1)CN(CC(=O)N(C)c1ccccc1)CC2 ZINC000077141934 462943395 /nfs/dbraw/zinc/94/33/95/462943395.db2.gz XAFDLDPOLHPHOU-UHFFFAOYSA-N 0 0 344.440 2.123 40 0 EEABRN O=c1c2cccnc2cnn1C[C@H](O)c1ccc(Br)cc1 ZINC000077416706 462982800 /nfs/dbraw/zinc/98/28/00/462982800.db2.gz AVZJJLAAEFZZHV-AWEZNQCLSA-N 0 0 346.184 2.288 40 0 EEABRN CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000016899847 462991441 /nfs/dbraw/zinc/99/14/41/462991441.db2.gz CKBFKYJINXEPIM-CYBMUJFWSA-N 0 0 337.397 2.014 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000017067682 462993274 /nfs/dbraw/zinc/99/32/74/462993274.db2.gz XITZTUTWNQRTLQ-CQSZACIVSA-N 0 0 330.384 2.332 40 0 EEABRN CC1CCN(c2nc(CNC(=O)CC3CCCC3)cc(=O)[nH]2)CC1 ZINC000019497050 463018196 /nfs/dbraw/zinc/01/81/96/463018196.db2.gz KSHPFDTUUONIOT-UHFFFAOYSA-N 0 0 332.448 2.203 40 0 EEABRN Cc1cccc2nc(CNC(=O)NCc3cccc(N(C)C)n3)cn21 ZINC000095437577 463084588 /nfs/dbraw/zinc/08/45/88/463084588.db2.gz LCJKGBDRFLIXIH-UHFFFAOYSA-N 0 0 338.415 2.103 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000121346871 463120488 /nfs/dbraw/zinc/12/04/88/463120488.db2.gz HCSLDAQYLFICJH-CYBMUJFWSA-N 0 0 332.425 2.394 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000135275506 463136144 /nfs/dbraw/zinc/13/61/44/463136144.db2.gz HRECCJHMEBUCKC-CJNGLKHVSA-N 0 0 338.423 2.285 40 0 EEABRN Cc1ccc(N2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)nn1 ZINC000096038461 463142312 /nfs/dbraw/zinc/14/23/12/463142312.db2.gz WHSALFVUOKYOQZ-KRWDZBQOSA-N 0 0 328.395 2.211 40 0 EEABRN CCOC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000096039380 463143624 /nfs/dbraw/zinc/14/36/24/463143624.db2.gz AVCIAQVXNXAGOR-IRXDYDNUSA-N 0 0 339.457 2.283 40 0 EEABRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCOC[C@H]2C[C@@H](C)O)c1 ZINC000135330005 463143589 /nfs/dbraw/zinc/14/35/89/463143589.db2.gz LIFSSYZBXDKPHR-LZLYRXPVSA-N 0 0 334.460 2.416 40 0 EEABRN O=C(NCCCc1cccc(F)c1)N1CCN(c2cnccn2)CC1 ZINC000078773015 463147739 /nfs/dbraw/zinc/14/77/39/463147739.db2.gz GMGJJSUODIPHHM-UHFFFAOYSA-N 0 0 343.406 2.080 40 0 EEABRN CC(=O)N1Cc2ncn(CC3CC3)c2[C@H](COCc2cccnc2)C1 ZINC000096045174 463149157 /nfs/dbraw/zinc/14/91/57/463149157.db2.gz HFRZDODCZQGTDF-KRWDZBQOSA-N 0 0 340.427 2.351 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096045075 463149304 /nfs/dbraw/zinc/14/93/04/463149304.db2.gz QMFCWKIGJFEHJE-OAHLLOKOSA-N 0 0 326.400 2.074 40 0 EEABRN Fc1ccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)cc1 ZINC000096052379 463156643 /nfs/dbraw/zinc/15/66/43/463156643.db2.gz XIXRRADDDFAVGQ-OALUTQOASA-N 0 0 345.418 2.472 40 0 EEABRN O=C(c1ccoc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC000096055458 463158420 /nfs/dbraw/zinc/15/84/20/463158420.db2.gz TWVLVQMUUMNMNL-FVQBIDKESA-N 0 0 328.368 2.373 40 0 EEABRN Cc1cnc(N2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)nc1 ZINC000096073304 463167641 /nfs/dbraw/zinc/16/76/41/463167641.db2.gz GXDPBYODHILWME-INIZCTEOSA-N 0 0 344.459 2.173 40 0 EEABRN COc1ccccc1OCC(=O)NC1CCN(c2nccs2)CC1 ZINC000096099791 463173044 /nfs/dbraw/zinc/17/30/44/463173044.db2.gz ASOUNSAVEQTVSD-UHFFFAOYSA-N 0 0 347.440 2.316 40 0 EEABRN Cn1nc(CNC(=O)CCSc2ccccc2)c2c1CCOC2 ZINC000096103994 463174273 /nfs/dbraw/zinc/17/42/73/463174273.db2.gz GNVWOPQRCOSBLK-UHFFFAOYSA-N 0 0 331.441 2.291 40 0 EEABRN CCOCC(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106499 463175949 /nfs/dbraw/zinc/17/59/49/463175949.db2.gz PCXUKKRHQAHPDF-INIZCTEOSA-N 0 0 325.449 2.095 40 0 EEABRN O=C(N[C@H]1CN(Cc2cccs2)[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC000096110731 463178564 /nfs/dbraw/zinc/17/85/64/463178564.db2.gz KTVFDARULLSYCW-ULQDDVLXSA-N 0 0 343.452 2.305 40 0 EEABRN Cc1noc(Cl)c1CC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000079034908 463181744 /nfs/dbraw/zinc/18/17/44/463181744.db2.gz IFEMAYKVYANGLV-UHFFFAOYSA-N 0 0 343.811 2.305 40 0 EEABRN CC(C)CCN1C[C@H]2CCN(C(=O)CC(C)C)CC[C@H]2S1(=O)=O ZINC000096145559 463185900 /nfs/dbraw/zinc/18/59/00/463185900.db2.gz XSQFZXYDKGSAHJ-HZPDHXFCSA-N 0 0 344.521 2.331 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161334 463192459 /nfs/dbraw/zinc/19/24/59/463192459.db2.gz KNSORVUMUCVDKV-QGZVFWFLSA-N 0 0 335.407 2.218 40 0 EEABRN c1csc(CN2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187157 463198851 /nfs/dbraw/zinc/19/88/51/463198851.db2.gz OBWFUYCAFGXGLW-VYDXJSESSA-N 0 0 331.441 2.487 40 0 EEABRN Cc1cc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c(C)o1 ZINC000096188575 463200778 /nfs/dbraw/zinc/20/07/78/463200778.db2.gz GXKWARYXVZYESC-OAHLLOKOSA-N 0 0 339.399 2.262 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(C(=O)COc1ccccc1)C2 ZINC000096198068 463203380 /nfs/dbraw/zinc/20/33/80/463203380.db2.gz LOTWOSRXGRUJPT-OAHLLOKOSA-N 0 0 329.400 2.054 40 0 EEABRN O=C(NCc1cccc(F)c1)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 ZINC000096200115 463206269 /nfs/dbraw/zinc/20/62/69/463206269.db2.gz OKBZLGKZVVXAKL-DLBZAZTESA-N 0 0 329.375 2.108 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096208535 463212026 /nfs/dbraw/zinc/21/20/26/463212026.db2.gz LOXOSZGVLMJFLO-DNVCBOLYSA-N 0 0 341.411 2.479 40 0 EEABRN O=C(CC1CC1)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1 ZINC000096209350 463212229 /nfs/dbraw/zinc/21/22/29/463212229.db2.gz MYNBVZHSJLZLNX-INIZCTEOSA-N 0 0 340.427 2.253 40 0 EEABRN O=C(NCCn1cc(Br)cn1)c1ccc(F)cc1F ZINC000028243516 463220877 /nfs/dbraw/zinc/22/08/77/463220877.db2.gz WBOYXIBKICFIHK-UHFFFAOYSA-N 0 0 330.132 2.354 40 0 EEABRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227072 463222273 /nfs/dbraw/zinc/22/22/73/463222273.db2.gz RBAGRHCUMNZGRN-LPHOPBHVSA-N 0 0 342.443 2.062 40 0 EEABRN O=C(Cc1cccs1)N1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255488 463229180 /nfs/dbraw/zinc/22/91/80/463229180.db2.gz HLEOFAAXLYFZNE-UHFFFAOYSA-N 0 0 328.441 2.282 40 0 EEABRN c1csc(CN2CCn3c(COCc4cccnc4)nnc3C2)c1 ZINC000096259062 463229775 /nfs/dbraw/zinc/22/97/75/463229775.db2.gz LWPPMFCGKLWSEV-UHFFFAOYSA-N 0 0 341.440 2.467 40 0 EEABRN Cn1cc(-c2cnc(-c3ccnn3C)nc2)cc1C(=O)N1CCCC1 ZINC000096266369 463231469 /nfs/dbraw/zinc/23/14/69/463231469.db2.gz BHFXMQUBZZYHRR-UHFFFAOYSA-N 0 0 336.399 2.119 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261538 463231832 /nfs/dbraw/zinc/23/18/32/463231832.db2.gz PFKQFTVRGCTVBI-QIIPPGSGSA-N 0 0 345.422 2.117 40 0 EEABRN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cn2ccnc2C)cc1 ZINC000096405203 463239471 /nfs/dbraw/zinc/23/94/71/463239471.db2.gz OZHAHHLQHNOHJF-QGZVFWFLSA-N 0 0 326.400 2.189 40 0 EEABRN NC(=O)CCn1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000096409942 463242936 /nfs/dbraw/zinc/24/29/36/463242936.db2.gz WRQBCRLVWBGMJX-UHFFFAOYSA-N 0 0 341.198 2.247 40 0 EEABRN CCn1cc(NC(=O)C(=O)NCC[C@H]2CCCC[C@@H]2C)ccc1=O ZINC000096413516 463245945 /nfs/dbraw/zinc/24/59/45/463245945.db2.gz AIHJFKDYSPICPW-UONOGXRCSA-N 0 0 333.432 2.139 40 0 EEABRN CCN(CCCNC(=O)C(=O)Nc1c(C)noc1C)c1ccccc1 ZINC000096413465 463246311 /nfs/dbraw/zinc/24/63/11/463246311.db2.gz IRQLPJNXERQCKC-UHFFFAOYSA-N 0 0 344.415 2.263 40 0 EEABRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000096414420 463247458 /nfs/dbraw/zinc/24/74/58/463247458.db2.gz BGWNZTFRJLPUNY-CMPLNLGQSA-N 0 0 328.334 2.218 40 0 EEABRN Cc1cc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n2ncnc2n1 ZINC000096417334 463249665 /nfs/dbraw/zinc/24/96/65/463249665.db2.gz CVSZEBAUDTZHSC-CYBMUJFWSA-N 0 0 342.790 2.304 40 0 EEABRN CCn1nnnc1-c1cccc(NC(=O)NCc2ncccc2C)c1 ZINC000096418699 463250613 /nfs/dbraw/zinc/25/06/13/463250613.db2.gz XUTOIJPCBPECMB-UHFFFAOYSA-N 0 0 337.387 2.385 40 0 EEABRN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](CCO)c1ccccc1 ZINC000096420298 463251329 /nfs/dbraw/zinc/25/13/29/463251329.db2.gz YEDDSFBFXZLDSG-HNNXBMFYSA-N 0 0 344.386 2.355 40 0 EEABRN O=C(NCc1coc(-c2ccccc2)n1)c1ccnc(-n2cncn2)c1 ZINC000096423228 463253848 /nfs/dbraw/zinc/25/38/48/463253848.db2.gz KOOVDBUMVVSGHO-UHFFFAOYSA-N 0 0 346.350 2.247 40 0 EEABRN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096423930 463254292 /nfs/dbraw/zinc/25/42/92/463254292.db2.gz XTUZHNFJXYHBRL-CHWSQXEVSA-N 0 0 338.411 2.177 40 0 EEABRN Cn1cc(N2CCC[C@@H](Sc3ncc4ccccn43)C2=O)cn1 ZINC000096424833 463254529 /nfs/dbraw/zinc/25/45/29/463254529.db2.gz GUCSMKCILFHOQZ-CQSZACIVSA-N 0 0 327.413 2.356 40 0 EEABRN CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2nncs2)s1 ZINC000096424506 463254816 /nfs/dbraw/zinc/25/48/16/463254816.db2.gz KQXTXCRRDWCGHB-SECBINFHSA-N 0 0 325.463 2.497 40 0 EEABRN CN(C(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1nccs1 ZINC000096425020 463255315 /nfs/dbraw/zinc/25/53/15/463255315.db2.gz FJQOFPRYDACRGD-AWEZNQCLSA-N 0 0 335.404 2.319 40 0 EEABRN Cc1ccc(=O)n(CC(=O)Nc2sccc2C(=O)C(C)(C)C)n1 ZINC000096425195 463255503 /nfs/dbraw/zinc/25/55/03/463255503.db2.gz LXJQLMDELQKBKW-UHFFFAOYSA-N 0 0 333.413 2.481 40 0 EEABRN COc1nc(C)ccc1CNC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000096426378 463255674 /nfs/dbraw/zinc/25/56/74/463255674.db2.gz NXDMAKGQHKBSIL-UHFFFAOYSA-N 0 0 337.383 2.218 40 0 EEABRN CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)nn(CC)c1C ZINC000096427713 463256996 /nfs/dbraw/zinc/25/69/96/463256996.db2.gz LGQUWGLXXPSJSZ-UHFFFAOYSA-N 0 0 327.372 2.483 40 0 EEABRN O=C(CN1CCOc2ccc(Cl)cc21)NCCc1ccccn1 ZINC000096427101 463257215 /nfs/dbraw/zinc/25/72/15/463257215.db2.gz CEZWTEJPZGKKKM-UHFFFAOYSA-N 0 0 331.803 2.293 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCC(Nc2ccccc2F)CC1 ZINC000096428453 463258309 /nfs/dbraw/zinc/25/83/09/463258309.db2.gz RBFFNKBDMMXDJY-UHFFFAOYSA-N 0 0 335.404 2.486 40 0 EEABRN CC[C@@H](COC)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000096428141 463258347 /nfs/dbraw/zinc/25/83/47/463258347.db2.gz LCNXQUWDCLDLOP-ZETCQYMHSA-N 0 0 327.233 2.279 40 0 EEABRN Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(=O)[nH]1 ZINC000096432843 463260895 /nfs/dbraw/zinc/26/08/95/463260895.db2.gz RWUHJQIXEQWTMT-UHFFFAOYSA-N 0 0 331.319 2.131 40 0 EEABRN CS(=O)(=O)CCn1nc(CCCc2ccccc2)oc1=S ZINC000096435850 463264022 /nfs/dbraw/zinc/26/40/22/463264022.db2.gz YVIGKFBWCFACID-UHFFFAOYSA-N 0 0 326.443 2.425 40 0 EEABRN Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000096436313 463264054 /nfs/dbraw/zinc/26/40/54/463264054.db2.gz VNNCZOQZSGISCO-HNNXBMFYSA-N 0 0 340.427 2.298 40 0 EEABRN Cc1ccccc1C(=O)Cn1nnc(CN(C)C(=O)c2ccccc2)n1 ZINC000096436644 463265263 /nfs/dbraw/zinc/26/52/63/463265263.db2.gz CZSRVEVAYFILNJ-UHFFFAOYSA-N 0 0 349.394 2.137 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)Nn2cnc3ccccc32)c(C)o1 ZINC000096437475 463266274 /nfs/dbraw/zinc/26/62/74/463266274.db2.gz OZGPPTCHANERGI-KRWDZBQOSA-N 0 0 328.372 2.407 40 0 EEABRN CS(=O)(=O)Cc1noc(CN2CCCCCc3ccccc32)n1 ZINC000096443493 463268104 /nfs/dbraw/zinc/26/81/04/463268104.db2.gz HBPYTSOFULZBOD-UHFFFAOYSA-N 0 0 335.429 2.347 40 0 EEABRN CSCCCC(=O)N1CCN(c2nncc3ccccc32)CC1 ZINC000096443704 463268775 /nfs/dbraw/zinc/26/87/75/463268775.db2.gz VZUHEBMXVJVXRQ-UHFFFAOYSA-N 0 0 330.457 2.422 40 0 EEABRN C[C@H]1COC[C@H](C)N1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443467 463268871 /nfs/dbraw/zinc/26/88/71/463268871.db2.gz VWHAIBXPNKBKCV-STQMWFEESA-N 0 0 333.457 2.064 40 0 EEABRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OC[C@@H]1CCC(=O)N1 ZINC000096443985 463269884 /nfs/dbraw/zinc/26/98/84/463269884.db2.gz NOORUSIXEKGHNP-LBPRGKRZSA-N 0 0 333.775 2.270 40 0 EEABRN C[C@@](O)(CNC(=O)[C@H]1CCCN1c1nccs1)c1ccsc1 ZINC000096450358 463271925 /nfs/dbraw/zinc/27/19/25/463271925.db2.gz VCAYDVUETNTTSI-IUODEOHRSA-N 0 0 337.470 2.197 40 0 EEABRN O=C(c1ccc2nncn2c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000096460324 463276504 /nfs/dbraw/zinc/27/65/04/463276504.db2.gz RFXLZKRJNBSABA-KRWDZBQOSA-N 0 0 336.395 2.203 40 0 EEABRN O=C(c1cccs1)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470709 463279102 /nfs/dbraw/zinc/27/91/02/463279102.db2.gz DFQOHCUEZXUYBO-JKSUJKDBSA-N 0 0 328.437 2.474 40 0 EEABRN Cc1ncc(CNS(=O)(=O)c2ccc(C)c(N(C)C)c2)s1 ZINC000096472506 463279140 /nfs/dbraw/zinc/27/91/40/463279140.db2.gz OJIJOVSXIXPNDN-UHFFFAOYSA-N 0 0 325.459 2.304 40 0 EEABRN CN(C)c1ccc(C(=O)NCCNC(=O)c2cccs2)c(F)c1 ZINC000096483606 463282227 /nfs/dbraw/zinc/28/22/27/463282227.db2.gz DTJLMWKAGOUTMC-UHFFFAOYSA-N 0 0 335.404 2.113 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1 ZINC000096484900 463284053 /nfs/dbraw/zinc/28/40/53/463284053.db2.gz ROFASEZOCAFGSO-LBPRGKRZSA-N 0 0 334.397 2.467 40 0 EEABRN C[S@@](=O)CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000096490462 463286889 /nfs/dbraw/zinc/28/68/89/463286889.db2.gz FZIWIWLRVZTRAB-VVYDWRJNSA-N 0 0 344.864 2.238 40 0 EEABRN C[C@H](CNC(=O)NCc1ccccc1N1CCCCC1)[S@@](C)=O ZINC000096499835 463290062 /nfs/dbraw/zinc/29/00/62/463290062.db2.gz HRCOEHLOYPUVHK-FATZIPQQSA-N 0 0 337.489 2.243 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000096658892 463295025 /nfs/dbraw/zinc/29/50/25/463295025.db2.gz NKCBFXJBGYYVFI-UHFFFAOYSA-N 0 0 332.425 2.490 40 0 EEABRN CCc1nnc(CN(C)[C@@H](CO)c2cccc(Br)c2)[nH]1 ZINC000097096386 463322890 /nfs/dbraw/zinc/32/28/90/463322890.db2.gz GVBYDXZZHPKHEU-LBPRGKRZSA-N 0 0 339.237 2.295 40 0 EEABRN COc1cccc([C@H](O)CNC(=O)CCn2cnc3ccccc32)c1 ZINC000097228171 463350947 /nfs/dbraw/zinc/35/09/47/463350947.db2.gz ZDCAMOUDMTZAGO-GOSISDBHSA-N 0 0 339.395 2.285 40 0 EEABRN COC(=O)[C@@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1F ZINC000097372499 463355674 /nfs/dbraw/zinc/35/56/74/463355674.db2.gz MBSIYRBJMPGVFV-VFZGTOFNSA-N 0 0 333.363 2.300 40 0 EEABRN COC(=O)C1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000097380056 463358033 /nfs/dbraw/zinc/35/80/33/463358033.db2.gz XTJLDGRYAIZPAN-LBPRGKRZSA-N 0 0 345.374 2.450 40 0 EEABRN Cc1nc2c(nc(N)nc2Nc2cnn(Cc3ccccc3)c2)n1C ZINC000057279153 463474533 /nfs/dbraw/zinc/47/45/33/463474533.db2.gz UWRZXCQXUUPRPY-UHFFFAOYSA-N 0 0 334.387 2.242 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1F ZINC000057355087 463480284 /nfs/dbraw/zinc/48/02/84/463480284.db2.gz RKARVRCYNPYPBT-QAPCUYQASA-N 0 0 341.386 2.447 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041548816 463493961 /nfs/dbraw/zinc/49/39/61/463493961.db2.gz SGWQDVDGZYPKDV-INIZCTEOSA-N 0 0 348.790 2.419 40 0 EEABRN Cc1cc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)[nH]n1 ZINC000081811092 463495492 /nfs/dbraw/zinc/49/54/92/463495492.db2.gz CVKJGPZTJSLMOM-UHFFFAOYSA-N 0 0 340.427 2.025 40 0 EEABRN Nc1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CSCN2)CC1 ZINC000072341837 463509827 /nfs/dbraw/zinc/50/98/27/463509827.db2.gz YYGYXDDXPWXCNN-MRXNPFEDSA-N 0 0 342.468 2.186 40 0 EEABRN Cc1cnc(N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107228138 463562973 /nfs/dbraw/zinc/56/29/73/463562973.db2.gz SGFDXJALMWZTFJ-AEFFLSMTSA-N 0 0 326.400 2.387 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@H]2CCN(Cc3ccccn3)C[C@@H]21 ZINC000108535282 463611630 /nfs/dbraw/zinc/61/16/30/463611630.db2.gz ALVBUIHPMPXNAO-IRXDYDNUSA-N 0 0 343.452 2.259 40 0 EEABRN Cc1ccn2ncc(C(=O)Nc3ccc4oc(N(C)C)nc4c3)c2n1 ZINC000164419432 463622894 /nfs/dbraw/zinc/62/28/94/463622894.db2.gz IWUGRIPJBRURQW-UHFFFAOYSA-N 0 0 336.355 2.497 40 0 EEABRN Cc1cc(NC(=O)NCc2ccc(F)cc2)ccc1-n1cnnn1 ZINC000058894219 463629938 /nfs/dbraw/zinc/62/99/38/463629938.db2.gz QHYASPIPFWOGQS-UHFFFAOYSA-N 0 0 326.335 2.432 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)CCc2cccs2)n1 ZINC000257289085 463762667 /nfs/dbraw/zinc/76/26/67/463762667.db2.gz PWXQVYWHEHHHEJ-CQSZACIVSA-N 0 0 346.456 2.421 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 ZINC000257290936 463763874 /nfs/dbraw/zinc/76/38/74/463763874.db2.gz QEYYVPHHTHKJOR-SFHVURJKSA-N 0 0 326.444 2.474 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257295215 463766011 /nfs/dbraw/zinc/76/60/11/463766011.db2.gz QXLYFJRTUZWGRP-AWEZNQCLSA-N 0 0 338.411 2.394 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)nc(C)n1 ZINC000257292980 463766071 /nfs/dbraw/zinc/76/60/71/463766071.db2.gz QNQOKKBIHHBDFT-QGZVFWFLSA-N 0 0 345.374 2.211 40 0 EEABRN CN(C)c1cc(CC[C@@H]2CN(Cc3cncs3)CCO2)ccn1 ZINC000257302364 463769325 /nfs/dbraw/zinc/76/93/25/463769325.db2.gz SCPNCJOXVFGNLJ-OAHLLOKOSA-N 0 0 332.473 2.438 40 0 EEABRN Cc1nc(N)cc([C@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257307284 463771830 /nfs/dbraw/zinc/77/18/30/463771830.db2.gz SYAOELYDHLWBCJ-MRXNPFEDSA-N 0 0 326.400 2.500 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1C(F)(F)F ZINC000257316157 463775042 /nfs/dbraw/zinc/77/50/42/463775042.db2.gz VEJWVDJHNGLSDS-JTQLQIEISA-N 0 0 339.321 2.249 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)ccn1 ZINC000257320172 463777035 /nfs/dbraw/zinc/77/70/35/463777035.db2.gz VVQJTPNJMKSRAX-INIZCTEOSA-N 0 0 344.459 2.232 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CO[C@H](Cc3cnccn3)C2)CC1 ZINC000257325516 463777609 /nfs/dbraw/zinc/77/76/09/463777609.db2.gz WTGIQGJQUXZDKR-QGZVFWFLSA-N 0 0 338.411 2.126 40 0 EEABRN O=C(c1cscn1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257324952 463777823 /nfs/dbraw/zinc/77/78/23/463777823.db2.gz WQWWLXRFFVSIEJ-GFCCVEGCSA-N 0 0 329.385 2.259 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n1 ZINC000257322265 463778055 /nfs/dbraw/zinc/77/80/55/463778055.db2.gz WFGKKSRNFDBXPW-KRWDZBQOSA-N 0 0 336.395 2.490 40 0 EEABRN Cc1ccnc([C@@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)n1 ZINC000257326452 463779417 /nfs/dbraw/zinc/77/94/17/463779417.db2.gz WXGPNBQZBOFMJR-CQSZACIVSA-N 0 0 336.399 2.074 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CN(Cc3ccc(C)s3)CCO2)n1 ZINC000257333370 463781943 /nfs/dbraw/zinc/78/19/43/463781943.db2.gz YBHFYMBWOWLWSM-MRXNPFEDSA-N 0 0 346.456 2.056 40 0 EEABRN CCc1noc(CCC(=O)N[C@@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000257338811 463783813 /nfs/dbraw/zinc/78/38/13/463783813.db2.gz YZAXOBFWRHLHOX-CQSZACIVSA-N 0 0 343.431 2.053 40 0 EEABRN Cc1cc(N2CCC[C@@H](Cc3nccnc3-c3cncn3C)C2)ncn1 ZINC000257336582 463784363 /nfs/dbraw/zinc/78/43/63/463784363.db2.gz YPBPAUIEYBQJBM-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2OCCc3ccccc32)c1 ZINC000178560716 463921896 /nfs/dbraw/zinc/92/18/96/463921896.db2.gz AWVJDYNSDDHASY-MRXNPFEDSA-N 0 0 349.383 2.482 40 0 EEABRN Cc1nc(CNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)no1 ZINC000194991527 463972602 /nfs/dbraw/zinc/97/26/02/463972602.db2.gz YBCHHRISUBBICN-UHFFFAOYSA-N 0 0 346.362 2.322 40 0 EEABRN Cn1ncc2c1nccc2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000283727481 463986621 /nfs/dbraw/zinc/98/66/21/463986621.db2.gz HFKNGGXYTRAAKW-JTQLQIEISA-N 0 0 334.326 2.098 40 0 EEABRN CCc1ccccc1CNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293912 464034312 /nfs/dbraw/zinc/03/43/12/464034312.db2.gz CWCHKZSBSZDJCH-UHFFFAOYSA-N 0 0 346.452 2.429 40 0 EEABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 ZINC000223075250 464135543 /nfs/dbraw/zinc/13/55/43/464135543.db2.gz CAEGIJREBJHQAS-CVEARBPZSA-N 0 0 330.457 2.429 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000223193284 464138083 /nfs/dbraw/zinc/13/80/83/464138083.db2.gz WZBHMMUQATUVFV-OAHLLOKOSA-N 0 0 328.412 2.226 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1F)oc(=O)n2C ZINC000223334255 464140482 /nfs/dbraw/zinc/14/04/82/464140482.db2.gz FSJIQEYDQKGDIL-UHFFFAOYSA-N 0 0 336.344 2.380 40 0 EEABRN COc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cc1OC ZINC000224149411 464148136 /nfs/dbraw/zinc/14/81/36/464148136.db2.gz HYVMQAJTBSOOCJ-UHFFFAOYSA-N 0 0 342.399 2.024 40 0 EEABRN COC[C@H](C)NC(=O)c1ccc(C)cc1I ZINC000225027829 464153444 /nfs/dbraw/zinc/15/34/44/464153444.db2.gz MJUJWPUMGLPJJZ-VIFPVBQESA-N 0 0 333.169 2.364 40 0 EEABRN NS(=O)(=O)c1cccc(NCc2cccc(-n3cccn3)c2)c1 ZINC000225419238 464158161 /nfs/dbraw/zinc/15/81/61/464158161.db2.gz PGPKGBNWSWIBSB-UHFFFAOYSA-N 0 0 328.397 2.132 40 0 EEABRN NS(=O)(=O)c1cccc(NCCCc2ccc3c(c2)CCO3)c1 ZINC000225467425 464162289 /nfs/dbraw/zinc/16/22/89/464162289.db2.gz UHFBXHPBOXPACA-UHFFFAOYSA-N 0 0 332.425 2.314 40 0 EEABRN CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccn(C)n2)C(C)(C)C)o1 ZINC000225494455 464166874 /nfs/dbraw/zinc/16/68/74/464166874.db2.gz JMDAVXRVWJHNMD-CQSZACIVSA-N 0 0 332.404 2.418 40 0 EEABRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccncc2C)C1 ZINC000270059200 464174064 /nfs/dbraw/zinc/17/40/64/464174064.db2.gz GUTHPPOHBBWBNC-LNPFQXMTSA-N 0 0 337.489 2.312 40 0 EEABRN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@](C)(OC)C1 ZINC000280148515 464190783 /nfs/dbraw/zinc/19/07/83/464190783.db2.gz CGIPQXVVFFHPEJ-AWEZNQCLSA-N 0 0 347.458 2.033 40 0 EEABRN Cc1ccccc1-n1ccnc1SCC(=O)N[C@H]1CCSC1=O ZINC000173324683 464239811 /nfs/dbraw/zinc/23/98/11/464239811.db2.gz HLWZTEDXMJHAKG-LBPRGKRZSA-N 0 0 347.465 2.421 40 0 EEABRN O=S(=O)(c1cccc2cnccc21)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000180934466 464422951 /nfs/dbraw/zinc/42/29/51/464422951.db2.gz VJCHTDOXGPPCNH-CQSZACIVSA-N 0 0 343.412 2.269 40 0 EEABRN Cc1nn(CCNC(=O)N2CCOCC2)c(C)c1-c1ccccc1 ZINC000238849496 464438849 /nfs/dbraw/zinc/43/88/49/464438849.db2.gz JCWZIXCUAFJQNY-UHFFFAOYSA-N 0 0 328.416 2.209 40 0 EEABRN O=C(NC[C@H]1CCCO1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000238862704 464439444 /nfs/dbraw/zinc/43/94/44/464439444.db2.gz LAQGGMDRBIQGJG-NWDGAFQWSA-N 0 0 348.428 2.476 40 0 EEABRN CO[C@H]1CCN(c2ccc(C(=O)NCCn3nc(C)cc3C)cc2)C1 ZINC000240002216 464445124 /nfs/dbraw/zinc/44/51/24/464445124.db2.gz PPGFUZZXJGDBOU-SFHVURJKSA-N 0 0 342.443 2.155 40 0 EEABRN COCC[C@@H](CO)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000241590524 464453826 /nfs/dbraw/zinc/45/38/26/464453826.db2.gz PFMXPHMMKHCKTR-AWEZNQCLSA-N 0 0 348.403 2.379 40 0 EEABRN CSC1(CNC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000241719852 464454304 /nfs/dbraw/zinc/45/43/04/464454304.db2.gz QQFCPLRZWJWZDA-UHFFFAOYSA-N 0 0 339.505 2.459 40 0 EEABRN CCc1nocc1CN(C)C(=O)c1c(C)nn2c1nc(C)cc2C ZINC000294284076 464454898 /nfs/dbraw/zinc/45/48/98/464454898.db2.gz YCHRSJSIMVSZKJ-UHFFFAOYSA-N 0 0 327.388 2.477 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)c1F ZINC000244970163 464467208 /nfs/dbraw/zinc/46/72/08/464467208.db2.gz HMKAEJQVRQNIKA-LBPRGKRZSA-N 0 0 348.378 2.005 40 0 EEABRN CC(C)[C@H](C(=O)N1CCC=C(F)C1)N1C(=O)c2ccccc2C1=O ZINC000272317591 464562168 /nfs/dbraw/zinc/56/21/68/464562168.db2.gz ZRJSZWCEUONYCX-OAHLLOKOSA-N 0 0 330.359 2.393 40 0 EEABRN O=C(NCc1ccc(Br)cc1)NC[C@@H]1CC[C@@H](O)C1 ZINC000190569608 464678788 /nfs/dbraw/zinc/67/87/88/464678788.db2.gz LIEXZBSJJWIKNR-DGCLKSJQSA-N 0 0 327.222 2.409 40 0 EEABRN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)CC2 ZINC000190576767 464680802 /nfs/dbraw/zinc/68/08/02/464680802.db2.gz CFQJUBLMDSBDJA-ZDUSSCGKSA-N 0 0 349.479 2.315 40 0 EEABRN O=C(NCc1cccs1)[C@@H]1CN(CC2CCC2)Cc2ccnn21 ZINC000247467894 464682483 /nfs/dbraw/zinc/68/24/83/464682483.db2.gz DFRSSSBJBNYMBN-INIZCTEOSA-N 0 0 330.457 2.418 40 0 EEABRN O=C(Cc1ccccn1)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000247855382 464710939 /nfs/dbraw/zinc/71/09/39/464710939.db2.gz KJAKGYJSZRIERM-SFHVURJKSA-N 0 0 340.427 2.221 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC2(C1)OCC[C@H]2COCC1CC1 ZINC000247999291 464720771 /nfs/dbraw/zinc/72/07/71/464720771.db2.gz CNIWWZBYRUXLDC-KRWDZBQOSA-N 0 0 345.439 2.418 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000248009319 464722365 /nfs/dbraw/zinc/72/23/65/464722365.db2.gz INXKKIVQVYECGT-INIZCTEOSA-N 0 0 349.427 2.405 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3[C@@H](CNc4ncccn4)CC[C@H]32)cs1 ZINC000248009073 464723091 /nfs/dbraw/zinc/72/30/91/464723091.db2.gz FRNRYICBDIWWME-FVQBIDKESA-N 0 0 345.472 2.333 40 0 EEABRN Cc1ccccc1OCc1noc(CC2(CS(C)(=O)=O)CC2)n1 ZINC000273863405 464726858 /nfs/dbraw/zinc/72/68/58/464726858.db2.gz PIHAAMWLLVNLAK-UHFFFAOYSA-N 0 0 336.413 2.324 40 0 EEABRN C[C@H]1C(=O)N(C[C@@H](O)c2ccc(F)c(Br)c2)C(=O)[C@H]1C ZINC000248429337 464750447 /nfs/dbraw/zinc/75/04/47/464750447.db2.gz TVOPWIZXMDDQNF-RGNHYFCHSA-N 0 0 344.180 2.263 40 0 EEABRN COc1ccc([C@@H](CO)N(C)C(=O)c2n[nH]c3c2CCCCC3)cc1 ZINC000190992051 464758037 /nfs/dbraw/zinc/75/80/37/464758037.db2.gz BJXAPSIKPBSJDP-QGZVFWFLSA-N 0 0 343.427 2.493 40 0 EEABRN COc1ccc(NC(=O)CN2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191207002 464797576 /nfs/dbraw/zinc/79/75/76/464797576.db2.gz BZCYMVHPLUBIGZ-INIZCTEOSA-N 0 0 346.456 2.157 40 0 EEABRN Cc1cc(S(=O)(=O)NCCN2CCc3sccc3C2)c(C)o1 ZINC000183112495 464799663 /nfs/dbraw/zinc/79/96/63/464799663.db2.gz GIFSLTCEVREDGQ-UHFFFAOYSA-N 0 0 340.470 2.295 40 0 EEABRN C[C@H](c1nnnn1C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261804 464855824 /nfs/dbraw/zinc/85/58/24/464855824.db2.gz HYVKEZKPYXPJFO-VXGBXAGGSA-N 0 0 332.477 2.486 40 0 EEABRN C[C@@H](O)CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000192444884 464925601 /nfs/dbraw/zinc/92/56/01/464925601.db2.gz VKXLRMQLOMSLKO-BXUZGUMPSA-N 0 0 343.830 2.124 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)NCc2nc(C)c(C)s2)C[C@H]1C ZINC000252485927 464963146 /nfs/dbraw/zinc/96/31/46/464963146.db2.gz HFGGUUGOZJVSSC-RFAUZJTJSA-N 0 0 325.434 2.101 40 0 EEABRN CCc1nc(C)cc(NCc2cccc(OCC(=O)N(C)C)c2)n1 ZINC000252498212 464971063 /nfs/dbraw/zinc/97/10/63/464971063.db2.gz QWWKVRQHKNOOFA-UHFFFAOYSA-N 0 0 328.416 2.427 40 0 EEABRN Cn1nnnc1CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000252500623 464972547 /nfs/dbraw/zinc/97/25/47/464972547.db2.gz SZKXYYODLADMQY-QHCPKHFHSA-N 0 0 327.413 2.130 40 0 EEABRN Cn1cc(-c2ccc(OCCCC(=O)N3CCOCC3)cc2)cn1 ZINC000252500456 464972589 /nfs/dbraw/zinc/97/25/89/464972589.db2.gz SVZYBQFBOQQJRD-UHFFFAOYSA-N 0 0 329.400 2.105 40 0 EEABRN Cc1ccc([C@H](C)NC(=O)N2CCOC[C@H]2c2ncnn2C)cc1F ZINC000252508281 464975695 /nfs/dbraw/zinc/97/56/95/464975695.db2.gz XJBUOIWHGXGXMQ-WFASDCNBSA-N 0 0 347.394 2.107 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC000253203443 464990507 /nfs/dbraw/zinc/99/05/07/464990507.db2.gz HDOMEQXCCDDYOY-HRCADAONSA-N 0 0 347.459 2.124 40 0 EEABRN C[C@@H]1CN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000253430010 465013174 /nfs/dbraw/zinc/01/31/74/465013174.db2.gz WRGRKLCZARWKRZ-SJKOYZFVSA-N 0 0 340.370 2.097 40 0 EEABRN CCCN(C(=O)c1scc(C)c1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000330449134 465666177 /nfs/dbraw/zinc/66/61/77/465666177.db2.gz XJCVVUKABGIGRZ-VIFPVBQESA-N 0 0 328.821 2.319 40 0 EEABRN CC(C)n1ccnc1S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000299266292 465674010 /nfs/dbraw/zinc/67/40/10/465674010.db2.gz WCBDDTIQMDGVOY-MCIONIFRSA-N 0 0 341.477 2.321 40 0 EEABRN O=C1NC[C@@H](c2ccccc2)[C@@]12C[N@H+](CCc1ccccc1)CCO2 ZINC000306124587 466487536 /nfs/dbraw/zinc/48/75/36/466487536.db2.gz BTYRMUMXDRSQDW-FPOVZHCZSA-N 0 0 336.435 2.214 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3CCN(c4ccccn4)[C@H]3CC2)[nH]n1 ZINC000306131221 466491249 /nfs/dbraw/zinc/49/12/49/466491249.db2.gz JYULBKPQFRTIBD-HOCLYGCPSA-N 0 0 325.416 2.244 40 0 EEABRN CC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138219 466493417 /nfs/dbraw/zinc/49/34/17/466493417.db2.gz RSORUXARJPDXCG-LPHOPBHVSA-N 0 0 344.459 2.038 40 0 EEABRN COCCN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O ZINC000409374895 466688072 /nfs/dbraw/zinc/68/80/72/466688072.db2.gz BDTBKOGUKYKBLO-JYRVWZFOSA-N 0 0 331.349 2.476 40 0 EEABRN COc1ccc(CC(=O)N2CC(OCC(F)(F)F)C2)cc1OC ZINC000390832230 467413123 /nfs/dbraw/zinc/41/31/23/467413123.db2.gz YDEFGVYAMBRHHD-UHFFFAOYSA-N 0 0 333.306 2.036 40 0 EEABRN CCOc1ccccc1N(C)C(=O)CNc1ccccc1C(N)=O ZINC000390833680 467414520 /nfs/dbraw/zinc/41/45/20/467414520.db2.gz LJAYGLZECXHWNR-UHFFFAOYSA-N 0 0 327.384 2.259 40 0 EEABRN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 ZINC000514288602 467941811 /nfs/dbraw/zinc/94/18/11/467941811.db2.gz GJKPNVRFJBRNNN-WBVHZDCISA-N 0 0 345.349 2.077 40 0 biogenic,in-vitro EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)[C@@H]4C[C@@H]4C)C3)C2)c1 ZINC000575406417 468142726 /nfs/dbraw/zinc/14/27/26/468142726.db2.gz OUNLWTVBHCURHL-USXIJHARSA-N 0 0 330.428 2.323 40 0 EEABRN CCCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 ZINC000575405875 468142776 /nfs/dbraw/zinc/14/27/76/468142776.db2.gz URDHTJSXZQLLHY-HNNXBMFYSA-N 0 0 346.456 2.335 40 0 EEABRN CN(C)c1nc(CNC(=O)C2CCCCC2)nc(N2CCCCC2)n1 ZINC000575607317 468146830 /nfs/dbraw/zinc/14/68/30/468146830.db2.gz SKCBQVJKVHQKHL-UHFFFAOYSA-N 0 0 346.479 2.124 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)C[C@H](COc1cccnc1)CN2C ZINC000585093762 468963180 /nfs/dbraw/zinc/96/31/80/468963180.db2.gz DSIILEHCTSINEV-HNNXBMFYSA-N 0 0 341.411 2.208 40 0 EEABRN Cc1cc(C(=O)N2C[C@]3(CCN(C)C3=O)CC(F)(F)C2)c(C)o1 ZINC000585093161 468963666 /nfs/dbraw/zinc/96/36/66/468963666.db2.gz GGVZPWNKTVKCDN-HNNXBMFYSA-N 0 0 326.343 2.226 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C ZINC000585097746 468965862 /nfs/dbraw/zinc/96/58/62/468965862.db2.gz NUCQASXTZRERBE-GFCCVEGCSA-N 0 0 343.383 2.018 40 0 EEABRN CC(C)CC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C ZINC000585097925 468965981 /nfs/dbraw/zinc/96/59/81/468965981.db2.gz PIKRSSRONHORCX-CYBMUJFWSA-N 0 0 332.448 2.044 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C ZINC000585098770 468967016 /nfs/dbraw/zinc/96/70/16/468967016.db2.gz ZTFDNIMXOTXJJQ-OAHLLOKOSA-N 0 0 346.475 2.387 40 0 EEABRN O=C(N1CC2(C1)C[C@H](Oc1ncccc1F)CS2)N1CCCC1 ZINC000585105513 468971810 /nfs/dbraw/zinc/97/18/10/468971810.db2.gz YPXFDHVCFCXNET-LBPRGKRZSA-N 0 0 337.420 2.375 40 0 EEABRN Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccnc(F)c1)C2 ZINC000585110994 468975105 /nfs/dbraw/zinc/97/51/05/468975105.db2.gz PAEWXHZFNZHLFE-HNNXBMFYSA-N 0 0 344.390 2.120 40 0 EEABRN O=C(NCC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21)C1CC1 ZINC000585112686 468976646 /nfs/dbraw/zinc/97/66/46/468976646.db2.gz VEWKLWOVRFOGPM-QGZVFWFLSA-N 0 0 342.418 2.495 40 0 EEABRN N=[S@@](=O)(c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000585142278 468992160 /nfs/dbraw/zinc/99/21/60/468992160.db2.gz RYLOXOGBWGSNRB-PVBMHHQDSA-N 0 0 335.351 2.314 40 0 EEABRN CN(C)c1nc([C@@H]2CCCN2C(=O)c2cnccn2)cn2cccc12 ZINC000585178753 468993953 /nfs/dbraw/zinc/99/39/53/468993953.db2.gz HAPPYSLEONKUIA-HNNXBMFYSA-N 0 0 336.399 2.168 40 0 EEABRN O=C(Cc1ccncc1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585277101 469001949 /nfs/dbraw/zinc/00/19/49/469001949.db2.gz LGOFBFXCNJGHPC-ROUUACIJSA-N 0 0 328.387 2.358 40 0 EEABRN CO[C@@H]1CN(C(=O)c2nccn2C)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279315 469004899 /nfs/dbraw/zinc/00/48/99/469004899.db2.gz KCYNOCDKUYEGBK-GDBMZVCRSA-N 0 0 331.391 2.279 40 0 EEABRN CNc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](OC)C2)ccn1 ZINC000585279535 469006421 /nfs/dbraw/zinc/00/64/21/469006421.db2.gz NTCZWNCPSDJIEN-SJLPKXTDSA-N 0 0 339.439 2.843 40 0 EEABRN CC(=O)N1CCC[C@H](NC(=O)c2cccn2C)[C@@H]1Cc1ccccc1 ZINC000585280630 469008413 /nfs/dbraw/zinc/00/84/13/469008413.db2.gz MHPGHNPEBKJQCO-HKUYNNGSSA-N 0 0 339.439 2.377 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)ccn1 ZINC000585286235 469010069 /nfs/dbraw/zinc/01/00/69/469010069.db2.gz VPCVLSWGYILPMZ-ZTFGCOKTSA-N 0 0 344.386 2.477 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)NCCn1cnc(C2CC2)cc1=O ZINC000390827544 485667707 /nfs/dbraw/zinc/66/77/07/485667707.db2.gz HMYVTJCRLKEMRG-UHFFFAOYSA-N 0 0 349.793 2.272 40 0 EEABRN O=C(c1ccno1)N1CC[C@]2(C[C@H](OCc3ccccc3)CO2)C1 ZINC000096072369 501077068 /nfs/dbraw/zinc/07/70/68/501077068.db2.gz IJCLFKZROBZPJS-YJBOKZPZSA-N 0 0 328.368 2.265 40 0 EEABRN COc1ccc(N2C[C@@H](C(=O)N(C)c3ncccc3F)CC2=O)cc1 ZINC000131807918 534015508 /nfs/dbraw/zinc/01/55/08/534015508.db2.gz GKFAZCZDRBLKGH-LBPRGKRZSA-N 0 0 343.358 2.245 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257220110 534316523 /nfs/dbraw/zinc/31/65/23/534316523.db2.gz DJOMSSQAXYSHES-INIZCTEOSA-N 0 0 341.411 2.108 40 0 EEABRN Cc1cccc(CC(=O)NCCn2nc(-c3cccs3)oc2=O)c1 ZINC000019234857 524342793 /nfs/dbraw/zinc/34/27/93/524342793.db2.gz OIRLUPBOIDLUTO-UHFFFAOYSA-N 0 0 343.408 2.232 40 0 EEABRN O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1C1CCOCC1 ZINC000187990823 534804126 /nfs/dbraw/zinc/80/41/26/534804126.db2.gz KIWMTOBQYZVGND-AWEZNQCLSA-N 0 0 345.428 2.070 40 0 EEABRN O=c1cc(N2CCN(c3cc(F)ccc3F)CC2)nc2ccccn12 ZINC000176976267 527482214 /nfs/dbraw/zinc/48/22/14/527482214.db2.gz RXLLFOPJZROALN-UHFFFAOYSA-N 0 0 342.349 2.299 40 0 EEABRN CCOC(=O)c1nn(CC(F)(F)F)cc1I ZINC000408715868 528379823 /nfs/dbraw/zinc/37/98/23/528379823.db2.gz GBFYKRKUAOEYJU-UHFFFAOYSA-N 0 0 348.062 2.227 40 0 EEABRN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000187634622 528411061 /nfs/dbraw/zinc/41/10/61/528411061.db2.gz DPXHURFFLTVJLS-PBHICJAKSA-N 0 0 338.492 2.327 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000190266263 528431675 /nfs/dbraw/zinc/43/16/75/528431675.db2.gz VNWSQKKXIISCQE-UHFFFAOYSA-N 0 0 347.850 2.468 40 0 EEABRN CC(C)[C@@H](CNC(=O)Nc1nccn(C)c1=O)Cc1ccccc1 ZINC000191614284 528457913 /nfs/dbraw/zinc/45/79/13/528457913.db2.gz DSMITDRIFLMDGZ-OAHLLOKOSA-N 0 0 328.416 2.417 40 0 EEABRN CC(C)c1nnc(CCC(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)o1 ZINC000257299804 534952172 /nfs/dbraw/zinc/95/21/72/534952172.db2.gz RRQRRGUBSHMUAF-CYBMUJFWSA-N 0 0 331.420 2.330 40 0 EEABRN CC1CCN(C(=O)c2ccc(N3C[C@H](C(N)=O)CC[C@@H]3C)nc2)CC1 ZINC000195575025 535273959 /nfs/dbraw/zinc/27/39/59/535273959.db2.gz FGETUKXSVHCRCK-GOEBONIOSA-N 0 0 344.459 2.044 40 0 EEABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000257223765 535829094 /nfs/dbraw/zinc/82/90/94/535829094.db2.gz DYTHNNUUFCBJDK-GFCCVEGCSA-N 0 0 340.474 2.236 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)ccn1 ZINC000257235088 536145288 /nfs/dbraw/zinc/14/52/88/536145288.db2.gz GWJZZUVFJGWNGY-MRXNPFEDSA-N 0 0 340.427 2.328 40 0 EEABRN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](O)Cc2ccccc2)C1 ZINC000253429920 536172383 /nfs/dbraw/zinc/17/23/83/536172383.db2.gz VYMITVIACBKWDX-SJORKVTESA-N 0 0 327.428 2.213 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCN2C)cc1 ZINC000257226734 536944432 /nfs/dbraw/zinc/94/44/32/536944432.db2.gz FLXLZITVBYCUNX-GOSISDBHSA-N 0 0 343.427 2.358 40 0 EEABRN CCCCn1nnc(NC(=S)NC(=O)c2cc3ccccc3o2)n1 ZINC000057316442 537693846 /nfs/dbraw/zinc/69/38/46/537693846.db2.gz GTECRVWFSCUZIO-UHFFFAOYSA-N 0 0 344.400 2.346 40 0 EEABRN O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCn2ncnc2C1 ZINC000935442483 1208154117 /nfs/dbraw/zinc/15/41/17/1208154117.db2.gz OSKCLUZEAAELLX-UHFFFAOYSA-N 0 0 331.685 2.001 40 0 EEABRN O=c1ccn(CCOc2ccc(F)cc2Cc2ccccc2)c(=O)[nH]1 ZINC000035324962 1352391222 /nfs/dbraw/zinc/39/12/22/1352391222.db2.gz FLBHZCUQCRDQHY-UHFFFAOYSA-N 0 0 340.354 2.346 40 0 EEABRN CC(C)(OC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@H]1C(=O)O[C@H]3C2)C(=O)c1ccccc1 ZINC000408649722 1369816600 /nfs/dbraw/zinc/81/66/00/1369816600.db2.gz ABQNPAHKPFEYGJ-GZBLMMOJSA-N 0 0 328.364 2.389 40 0 EEABRN O=C(NC1C[C@H]2CCC[C@@H](C1)C2O)NC1C[C@H]2CCC[C@@H](C1)C2O ZINC000675030371 1370273172 /nfs/dbraw/zinc/27/31/72/1370273172.db2.gz MXLWZDNYHOWFOX-HKRCJEIOSA-N 0 0 336.476 2.165 40 0 EEABRN CC(C)[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000053273409 214173851 /nfs/dbraw/zinc/17/38/51/214173851.db2.gz AJIVLHPVNMUSCP-NSHDSACASA-N 0 0 332.853 2.267 40 0 EEABRN COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000059515858 214621717 /nfs/dbraw/zinc/62/17/17/214621717.db2.gz NVTAYVKTBKHNCJ-UHFFFAOYSA-N 0 0 333.409 2.093 40 0 EEABRN CN1CCO[C@@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677555 529781689 /nfs/dbraw/zinc/78/16/89/529781689.db2.gz PGBUYFCAILKPLX-CYBMUJFWSA-N 0 0 346.349 2.267 40 0 EEABRN O=C1OCCC1=CNCCCCCCCCNC=C1CCOC1=O ZINC000100367432 219097993 /nfs/dbraw/zinc/09/79/93/219097993.db2.gz PEEBSBHBBYVVPE-VCFJNTAESA-N 0 0 336.432 2.168 40 0 EEABRN CCOCCCNC(=S)N1CCN(c2ccccc2F)CC1 ZINC000004216903 210144882 /nfs/dbraw/zinc/14/48/82/210144882.db2.gz UZZNVAZXRNWTHM-UHFFFAOYSA-N 0 0 325.453 2.249 40 0 EEABRN CCOCCCC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000047061598 213829783 /nfs/dbraw/zinc/82/97/83/213829783.db2.gz PRGVLOBULBFHKU-UHFFFAOYSA-N 0 0 331.416 2.310 40 0 EEABRN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC)CC2=O)cc1Cl ZINC000045953338 213768076 /nfs/dbraw/zinc/76/80/76/213768076.db2.gz FCGAMGSRLOZJGU-JTQLQIEISA-N 0 0 339.775 2.433 40 0 EEABRN Cn1c2ccccc2n(CCC(=O)N2CCc3ccccc3C2)c1=O ZINC000044894025 213662144 /nfs/dbraw/zinc/66/21/44/213662144.db2.gz USYFJECWNBMJEK-UHFFFAOYSA-N 0 0 335.407 2.315 40 0 EEABRN C[C@@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000103036386 219249382 /nfs/dbraw/zinc/24/93/82/219249382.db2.gz QFDSUNKHVMEJIT-KBMXLJTQSA-N 0 0 326.396 2.205 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000257210905 290846406 /nfs/dbraw/zinc/84/64/06/290846406.db2.gz BWQBKLHPRAXTFD-AWEZNQCLSA-N 0 0 325.416 2.317 40 0 EEABRN CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc21 ZINC000096432402 282929274 /nfs/dbraw/zinc/92/92/74/282929274.db2.gz PPRPOXIPXBWRRV-UHFFFAOYSA-N 0 0 348.399 2.326 40 0 EEABRN COC(=O)c1ccc(-c2nc(C)no2)c(I)c1 ZINC000039951813 213243686 /nfs/dbraw/zinc/24/36/86/213243686.db2.gz MPTOZZTYLSYICH-UHFFFAOYSA-N 0 0 344.108 2.436 40 0 EEABRN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCNC(=O)C1 ZINC000039261696 213233255 /nfs/dbraw/zinc/23/32/55/213233255.db2.gz IACXCCLVXIXUFN-UHFFFAOYSA-N 0 0 333.391 2.262 40 0 EEABRN CN(C(=O)CN(c1ccccc1F)S(C)(=O)=O)C1CCCCC1 ZINC000030755241 212708107 /nfs/dbraw/zinc/70/81/07/212708107.db2.gz UYHLVFVPTDDGRY-UHFFFAOYSA-N 0 0 342.436 2.383 40 0 EEABRN COc1ccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 ZINC000072336786 216156958 /nfs/dbraw/zinc/15/69/58/216156958.db2.gz XKRXUKDFZQDVJE-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(CC(N)=O)C1 ZINC000072361825 216168680 /nfs/dbraw/zinc/16/86/80/216168680.db2.gz DAWNFOHJBXGSGQ-CQSZACIVSA-N 0 0 326.400 2.242 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cnc(C(=O)NCC(C)(C)C)cn2)C1 ZINC000072369471 216176117 /nfs/dbraw/zinc/17/61/17/216176117.db2.gz MFEBGLCXLLUSFC-AWEZNQCLSA-N 0 0 332.448 2.054 40 0 EEABRN Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 ZINC000072367255 216172994 /nfs/dbraw/zinc/17/29/94/216172994.db2.gz NXHYZCWAMDKYGA-LJQANCHMSA-N 0 0 339.443 2.275 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2ccc(C(=O)NC3CCCCC3)nn2)C1 ZINC000072387103 216185410 /nfs/dbraw/zinc/18/54/10/216185410.db2.gz JLNSAWXNRPPKTR-OAHLLOKOSA-N 0 0 344.459 2.340 40 0 EEABRN COCC(=O)N1CCCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000072382714 216183110 /nfs/dbraw/zinc/18/31/10/216183110.db2.gz IHBCCRFAIQTSNS-CQSZACIVSA-N 0 0 342.403 2.019 40 0 EEABRN CN(C)C(=O)CCc1cccc([C@H]2CCCN2c2ncccn2)n1 ZINC000072382853 216183866 /nfs/dbraw/zinc/18/38/66/216183866.db2.gz ZZOJHTORCWPNQM-MRXNPFEDSA-N 0 0 325.416 2.234 40 0 EEABRN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)cc(N(C)C)n1 ZINC000072387847 216188584 /nfs/dbraw/zinc/18/85/84/216188584.db2.gz KDPWJZXTVGODGA-INIZCTEOSA-N 0 0 344.390 2.204 40 0 EEABRN CC[C@H](C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)N1CCCC1=O ZINC000073202868 216363738 /nfs/dbraw/zinc/36/37/38/216363738.db2.gz TWLDSLQDJLSNJC-CQSZACIVSA-N 0 0 327.388 2.120 40 0 EEABRN CO[C@H](C)CS(=O)(=O)NCc1ccc(F)cc1Br ZINC000195131278 240841303 /nfs/dbraw/zinc/84/13/03/240841303.db2.gz BRGIQUNFNUXZBS-MRVPVSSYSA-N 0 0 340.214 2.043 40 0 EEABRN COC(=O)[C@H]1C[C@H](O)CN1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578161 241024851 /nfs/dbraw/zinc/02/48/51/241024851.db2.gz CGMMKLAHEZUIEM-DLBZAZTESA-N 0 0 343.427 2.104 40 0 EEABRN Cc1cccc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000222752952 241552751 /nfs/dbraw/zinc/55/27/51/241552751.db2.gz AXTTUHHWMRWXTA-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCCO ZINC000222829051 241567328 /nfs/dbraw/zinc/56/73/28/241567328.db2.gz QRAKEVMHFWQCGP-CYBMUJFWSA-N 0 0 340.851 2.356 40 0 EEABRN Cc1ccc(NC(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000224229005 241740922 /nfs/dbraw/zinc/74/09/22/241740922.db2.gz INYAZFSSVOAFIA-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NCc1ccccn1)CCCC2 ZINC000224552559 241765734 /nfs/dbraw/zinc/76/57/34/241765734.db2.gz AMJZZMSMOFCGSK-UHFFFAOYSA-N 0 0 332.425 2.448 40 0 EEABRN CCOC(=O)c1ccc(NC(=S)NCCN2CCCC2=O)c(C)c1 ZINC000225812423 242047664 /nfs/dbraw/zinc/04/76/64/242047664.db2.gz RCEOAZDVZPGWFE-UHFFFAOYSA-N 0 0 349.456 2.081 40 0 EEABRN Cc1cc(N2CCC(C)CC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 ZINC000225909494 242074834 /nfs/dbraw/zinc/07/48/34/242074834.db2.gz ZAINWHUPPOOTDO-AWEZNQCLSA-N 0 0 349.504 2.487 40 0 EEABRN Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(N)=O)c1 ZINC000225939871 242080197 /nfs/dbraw/zinc/08/01/97/242080197.db2.gz YNBMYBNXHAIICS-UHFFFAOYSA-N 0 0 346.452 2.022 40 0 EEABRN C[C@@H]1CCCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)C1 ZINC000227160530 242125478 /nfs/dbraw/zinc/12/54/78/242125478.db2.gz QHCNAQOXHXIVKJ-CYBMUJFWSA-N 0 0 332.379 2.255 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c(C)s1 ZINC000242317000 243018122 /nfs/dbraw/zinc/01/81/22/243018122.db2.gz YWLQLGJRDAUZBK-NEPJUHHUSA-N 0 0 333.500 2.260 40 0 EEABRN C[C@@](NC(=O)CN1CCCC1=O)(c1ccc(F)cc1)C(F)(F)F ZINC000253426218 243963683 /nfs/dbraw/zinc/96/36/83/243963683.db2.gz LYXBFFZKPVCDBY-CQSZACIVSA-N 0 0 332.297 2.342 40 0 EEABRN C[C@H]1CN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000253430013 243979061 /nfs/dbraw/zinc/97/90/61/243979061.db2.gz WRGRKLCZARWKRZ-YVEFUNNKSA-N 0 0 340.370 2.097 40 0 EEABRN Cn1ccc(N2CCC[C@H](SCC(=O)Nc3ccccc3)C2=O)n1 ZINC000253433307 243990319 /nfs/dbraw/zinc/99/03/19/243990319.db2.gz VKNTYVJVEIDHSI-AWEZNQCLSA-N 0 0 344.440 2.287 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000253433666 243992203 /nfs/dbraw/zinc/99/22/03/243992203.db2.gz ZZYUHMCCXBRYKR-SMDDNHRTSA-N 0 0 337.782 2.484 40 0 EEABRN CCCn1nccc1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257206900 244137873 /nfs/dbraw/zinc/13/78/73/244137873.db2.gz BFJLKSNHHYLAGI-CQSZACIVSA-N 0 0 348.472 2.494 40 0 EEABRN Cc1nc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)co1 ZINC000257207999 244139316 /nfs/dbraw/zinc/13/93/16/244139316.db2.gz BKGBIZVUWXOPBN-NVXWUHKLSA-N 0 0 334.347 2.167 40 0 EEABRN O=C(c1cscn1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257215729 244165798 /nfs/dbraw/zinc/16/57/98/244165798.db2.gz CRJIAAHUEKGPHA-LBPRGKRZSA-N 0 0 329.385 2.259 40 0 EEABRN Cc1ccnc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219615 244177243 /nfs/dbraw/zinc/17/72/43/244177243.db2.gz DHKYYWYPPUMNCL-QGZVFWFLSA-N 0 0 327.384 2.130 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)n(C)n1 ZINC000257222592 244188757 /nfs/dbraw/zinc/18/87/57/244188757.db2.gz DTXWPRMJLCAZNB-AWEZNQCLSA-N 0 0 329.404 2.092 40 0 EEABRN CCn1nc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)cc1C ZINC000257230767 244214466 /nfs/dbraw/zinc/21/44/66/244214466.db2.gz GDVOWSBJWMHWET-GOSISDBHSA-N 0 0 340.427 2.257 40 0 EEABRN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257232248 244216174 /nfs/dbraw/zinc/21/61/74/244216174.db2.gz GJYVFXOQAOIDRI-CQSZACIVSA-N 0 0 334.383 2.282 40 0 EEABRN CN(C)C(=O)C1CCN(C(=O)c2cccnc2-c2cncs2)CC1 ZINC000257219467 244178459 /nfs/dbraw/zinc/17/84/59/244178459.db2.gz DGWWJNGKHSEHFN-UHFFFAOYSA-N 0 0 344.440 2.146 40 0 EEABRN Cc1nc2ccccn2c1CC(=O)N1CC[C@H](c2nccc(C)n2)C1 ZINC000257243709 244250126 /nfs/dbraw/zinc/25/01/26/244250126.db2.gz IIEYECPYVXTAGY-HNNXBMFYSA-N 0 0 335.411 2.300 40 0 EEABRN O=C(COc1cccc(F)c1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257234940 244226696 /nfs/dbraw/zinc/22/66/96/244226696.db2.gz GVRPZCISWAIOET-LBPRGKRZSA-N 0 0 331.347 2.106 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237021 244233055 /nfs/dbraw/zinc/23/30/55/244233055.db2.gz HEVRQVXNGQXLKM-KRWDZBQOSA-N 0 0 329.400 2.073 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257239023 244239250 /nfs/dbraw/zinc/23/92/50/244239250.db2.gz HNOISXKQKGTVBF-ZDUSSCGKSA-N 0 0 342.424 2.122 40 0 EEABRN Cc1nc(CC(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cs1 ZINC000257247747 244259832 /nfs/dbraw/zinc/25/98/32/244259832.db2.gz JAHMTJFURXCALD-JFIYKMOQSA-N 0 0 346.452 2.471 40 0 EEABRN CNc1cc([C@H]2CCCN(C(=O)CCn3nccc3C)C2)ccn1 ZINC000257248812 244262565 /nfs/dbraw/zinc/26/25/65/244262565.db2.gz JFHRFOJIAQJQNE-INIZCTEOSA-N 0 0 327.432 2.425 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)CCc1c(C)noc1C ZINC000257257975 244286988 /nfs/dbraw/zinc/28/69/88/244286988.db2.gz KRWBFOKZGYHKKV-KRWDZBQOSA-N 0 0 343.427 2.406 40 0 EEABRN NC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCCCC3)CC2)ncn1 ZINC000257266295 244361897 /nfs/dbraw/zinc/36/18/97/244361897.db2.gz MCIBVJHTYKUHNV-CQSZACIVSA-N 0 0 344.459 2.327 40 0 EEABRN Cc1nccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000257275091 244391050 /nfs/dbraw/zinc/39/10/50/244391050.db2.gz NNWHHRPWMMPERX-MRXNPFEDSA-N 0 0 334.383 2.343 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)CCCn2ccnc2)CCN1C ZINC000257278002 244397893 /nfs/dbraw/zinc/39/78/93/244397893.db2.gz OAIYPZSQWNRPTG-QGZVFWFLSA-N 0 0 342.443 2.187 40 0 EEABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCCC1 ZINC000019930448 212085885 /nfs/dbraw/zinc/08/58/85/212085885.db2.gz JMIAQWYKKQMBRM-UHFFFAOYSA-N 0 0 336.457 2.119 40 0 EEABRN C[C@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 ZINC000019749452 212062409 /nfs/dbraw/zinc/06/24/09/212062409.db2.gz XJIPNOMKWBCVGQ-LBPRGKRZSA-N 0 0 344.390 2.118 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@]2(C)C(=O)NC2CCCC2)cs1 ZINC000019746517 212060377 /nfs/dbraw/zinc/06/03/77/212060377.db2.gz VKKWFIQINPVVCL-QGZVFWFLSA-N 0 0 335.473 2.434 40 0 EEABRN CCn1ncc(-c2csc(NC(=O)C3CCN(C=O)CC3)n2)c1C ZINC000019524070 212037978 /nfs/dbraw/zinc/03/79/78/212037978.db2.gz ATBQTSHPJYDXSV-UHFFFAOYSA-N 0 0 347.444 2.142 40 0 EEABRN CCC(=O)N1CC[C@](Cc2ccc(-c3ccncc3)cc2)(C(N)=O)C1 ZINC000019498421 212033334 /nfs/dbraw/zinc/03/33/34/212033334.db2.gz DFBWANKHGANJFI-HXUWFJFHSA-N 0 0 337.423 2.405 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(F)c2)cc1 ZINC000019170309 212002704 /nfs/dbraw/zinc/00/27/04/212002704.db2.gz KXMIEBFFWDBRIW-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN COc1ccccc1O[C@@H](C)C(=O)N1CCCc2c(cnn2C)C1 ZINC000019079032 211998915 /nfs/dbraw/zinc/99/89/15/211998915.db2.gz LBSPOHWGEAFLHT-ZDUSSCGKSA-N 0 0 329.400 2.171 40 0 EEABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCC3)ncc2C1 ZINC000019018171 211997475 /nfs/dbraw/zinc/99/74/75/211997475.db2.gz PWIZPZAAZKSTGQ-KRWDZBQOSA-N 0 0 342.443 2.235 40 0 EEABRN COc1cccc(C[S@@](=O)CC(=O)NCc2ccccc2F)c1 ZINC000078556244 217076154 /nfs/dbraw/zinc/07/61/54/217076154.db2.gz DEPOTFAKPSMUPF-QHCPKHFHSA-N 0 0 335.400 2.399 40 0 EEABRN CCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000078556498 217077684 /nfs/dbraw/zinc/07/76/84/217077684.db2.gz PWTJWWPJHKTXSB-JKSUJKDBSA-N 0 0 347.440 2.069 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000078611472 217086587 /nfs/dbraw/zinc/08/65/87/217086587.db2.gz KUVQUVYUYSBIER-CQSZACIVSA-N 0 0 333.432 2.492 40 0 EEABRN Cc1cnc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)cn1 ZINC000078774617 217118428 /nfs/dbraw/zinc/11/84/28/217118428.db2.gz NSMBMWOWGXZCSB-UHFFFAOYSA-N 0 0 337.383 2.334 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000078999103 217169822 /nfs/dbraw/zinc/16/98/22/217169822.db2.gz GEGPQXJQGNJOJR-IRXDYDNUSA-N 0 0 346.475 2.127 40 0 EEABRN COC(=O)NCC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000079333349 217209826 /nfs/dbraw/zinc/20/98/26/217209826.db2.gz AYTFALXXHMAMOC-UHFFFAOYSA-N 0 0 326.343 2.249 40 0 EEABRN COC(=O)[C@@]1(F)CCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 ZINC000080705885 217327556 /nfs/dbraw/zinc/32/75/56/217327556.db2.gz JSPBWJIGYGYJOV-XHDPSFHLSA-N 0 0 328.409 2.223 40 0 EEABRN CC(C)c1nc(S(=O)(=O)N(C)CCOc2cccc(F)c2)c[nH]1 ZINC000080727501 217328682 /nfs/dbraw/zinc/32/86/82/217328682.db2.gz DKQZIJUKBCBCLY-UHFFFAOYSA-N 0 0 341.408 2.372 40 0 EEABRN O=C(CCn1cncn1)N1CC(OCc2cccc3ccccc32)C1 ZINC000080941872 217342603 /nfs/dbraw/zinc/34/26/03/217342603.db2.gz QXVFDDHKWIYOME-UHFFFAOYSA-N 0 0 336.395 2.249 40 0 EEABRN Cc1ccccc1C1(CNC(=O)c2cccn(C)c2=O)CCOCC1 ZINC000264229357 246214632 /nfs/dbraw/zinc/21/46/32/246214632.db2.gz MAIBLROKDUIDAR-UHFFFAOYSA-N 0 0 340.423 2.172 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC(C(C)C)C(C)C)cc1 ZINC000013688595 211611126 /nfs/dbraw/zinc/61/11/26/211611126.db2.gz IOQYSTOHOSUVCN-UHFFFAOYSA-N 0 0 340.489 2.412 40 0 EEABRN O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000253417689 296264416 /nfs/dbraw/zinc/26/44/16/296264416.db2.gz GQPJCZBIOUDTAN-CYBMUJFWSA-N 0 0 336.355 2.289 40 0 EEABRN C[C@H]1[C@H]2[C@@H](/C=C/c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C ZINC000012654933 211430094 /nfs/dbraw/zinc/43/00/94/211430094.db2.gz UNJZVKFTIFAQTA-ZZQVORLMSA-N 0 0 342.443 2.394 40 0 EEABRN C[C@H]1C[C@H]1C(=O)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012239491 211328392 /nfs/dbraw/zinc/32/83/92/211328392.db2.gz KRQFPQPVJSBEHG-GXFFZTMASA-N 0 0 328.372 2.199 40 0 EEABRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000012200209 211318474 /nfs/dbraw/zinc/31/84/74/211318474.db2.gz LFPPSDQPQBQQAZ-UHFFFAOYSA-N 0 0 348.355 2.280 40 0 EEABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N1C(=O)NC(C)(C)C1=O ZINC000012194883 211317095 /nfs/dbraw/zinc/31/70/95/211317095.db2.gz VQOKUZCUXWGSLG-NWDGAFQWSA-N 0 0 343.427 2.071 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)o1 ZINC000012183361 211311957 /nfs/dbraw/zinc/31/19/57/211311957.db2.gz OWLLJHVPFLMXDH-AWEZNQCLSA-N 0 0 327.388 2.491 40 0 EEABRN CS(=O)(=O)c1cccnc1C1CCN(C(=O)C2CCCC2)CC1 ZINC000012144057 211304407 /nfs/dbraw/zinc/30/44/07/211304407.db2.gz PQCLDIADOYCBNI-UHFFFAOYSA-N 0 0 336.457 2.381 40 0 EEABRN Cc1ccc(C2=NN(CC(N)=O)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000012113612 211292627 /nfs/dbraw/zinc/29/26/27/211292627.db2.gz UVDMMYGVAZMKHV-UHFFFAOYSA-N 0 0 346.390 2.295 40 0 EEABRN CO[C@@H](C(=O)N[C@H](C)c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000012114748 211294112 /nfs/dbraw/zinc/29/41/12/211294112.db2.gz MJNHEYYQWGVSPK-IUODEOHRSA-N 0 0 337.383 2.432 40 0 EEABRN COC(=O)c1cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385596 218220212 /nfs/dbraw/zinc/22/02/12/218220212.db2.gz SOCQUQBMVCXGIK-INIZCTEOSA-N 0 0 345.374 2.178 40 0 EEABRN CC(C)c1nsc(N2CCC(NC(=O)c3cccn3C)CC2)n1 ZINC000095408577 218344589 /nfs/dbraw/zinc/34/45/89/218344589.db2.gz RMDMZDWPZURBSB-UHFFFAOYSA-N 0 0 333.461 2.399 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096039234 218520720 /nfs/dbraw/zinc/52/07/20/218520720.db2.gz TXLBVUYIWRPNHP-AEFFLSMTSA-N 0 0 337.391 2.492 40 0 EEABRN CCn1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)cn1 ZINC000096181251 218642850 /nfs/dbraw/zinc/64/28/50/218642850.db2.gz NGGNXKQLIMZNAV-WBVHZDCISA-N 0 0 326.400 2.370 40 0 EEABRN Cc1nc2nnc3ccc(C(=O)N(C)C)cc3c2n1C[C@H]1CCCO1 ZINC000096264328 218732528 /nfs/dbraw/zinc/73/25/28/218732528.db2.gz XOJSSNHNFYLLDZ-CYBMUJFWSA-N 0 0 339.399 2.169 40 0 EEABRN CCOc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)ccn1 ZINC000096410067 218763583 /nfs/dbraw/zinc/76/35/83/218763583.db2.gz OHWVLWPCKCTLSD-UHFFFAOYSA-N 0 0 346.818 2.491 40 0 EEABRN Cc1cc(C)c(N2CC[C@H](NC(=O)C3(O)CCCC3)C2=O)c(C)c1 ZINC000188079617 291810810 /nfs/dbraw/zinc/81/08/10/291810810.db2.gz DGERGTPGHDRUIF-HNNXBMFYSA-N 0 0 330.428 2.138 40 0 EEABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)COc1ccc(F)cc1F ZINC000096425503 218794582 /nfs/dbraw/zinc/79/45/82/218794582.db2.gz PPHOLJLWIBZBAF-JTQLQIEISA-N 0 0 337.370 2.441 40 0 EEABRN CS(=O)(=O)C[C@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000096483308 218859252 /nfs/dbraw/zinc/85/92/52/218859252.db2.gz RDJNQHZDMDZJPO-NSHDSACASA-N 0 0 327.789 2.449 40 0 EEABRN Cc1ccc(NC(=O)NCCNc2nnnn2-c2ccccc2)s1 ZINC000096483791 218860166 /nfs/dbraw/zinc/86/01/66/218860166.db2.gz ZLMVQJMIFUHNKH-UHFFFAOYSA-N 0 0 343.416 2.266 40 0 EEABRN CC[C@@H](SC)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096485690 218862216 /nfs/dbraw/zinc/86/22/16/218862216.db2.gz QHXBYGQZXSAQTB-OAHLLOKOSA-N 0 0 332.473 2.349 40 0 EEABRN Cc1c(I)cccc1NC(=O)N(C)C[C@H](C)O ZINC000096500719 218876464 /nfs/dbraw/zinc/87/64/64/218876464.db2.gz WUQZGDVFTUUPBU-QMMMGPOBSA-N 0 0 348.184 2.444 40 0 EEABRN Cc1ccc(Cl)cc1-n1nnc(C(=O)NCc2ccco2)c1N ZINC000004984825 210349732 /nfs/dbraw/zinc/34/97/32/210349732.db2.gz JMJPCSDVLMYBJU-UHFFFAOYSA-N 0 0 331.763 2.334 40 0 EEABRN C[C@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000000011647 208549299 /nfs/dbraw/zinc/54/92/99/208549299.db2.gz ZVQLILUCRUIFNH-BZNIZROVSA-N 0 0 331.326 2.038 40 0 in-vitro EEABRN O=C(NCc1cccnc1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004928012 210325256 /nfs/dbraw/zinc/32/52/56/210325256.db2.gz LATSJNRRWCAKTQ-PDGQHHTCSA-N 0 0 346.390 2.497 40 0 EEABRN CN(C)C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000004859099 210303724 /nfs/dbraw/zinc/30/37/24/210303724.db2.gz AYGNAMHRBLTOLT-UHFFFAOYSA-N 0 0 348.472 2.131 40 0 EEABRN CCOCCCNC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000004861441 210305747 /nfs/dbraw/zinc/30/57/47/210305747.db2.gz DDSULSLYFFTFCA-UHFFFAOYSA-N 0 0 345.428 2.141 40 0 EEABRN O=C(OC[C@@H]1O[C@@H](O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004831395 210290578 /nfs/dbraw/zinc/29/05/78/210290578.db2.gz AKCFUIMCQPPMTA-YESZJQIVSA-N 0 0 342.347 2.176 40 0 EEABRN CCCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113965681 220617679 /nfs/dbraw/zinc/61/76/79/220617679.db2.gz VXYPLWQRPORCCM-UHFFFAOYSA-N 0 0 348.415 2.427 40 0 EEABRN CCC(CC)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113967451 220618403 /nfs/dbraw/zinc/61/84/03/220618403.db2.gz XRAWWZGBDFFMKK-SNVBAGLBSA-N 0 0 348.415 2.424 40 0 EEABRN COc1ccc(C2(CNS(=O)(=O)CC3CC3)CCOCC2)cc1 ZINC000267224418 256039711 /nfs/dbraw/zinc/03/97/11/256039711.db2.gz QRYUVKCOXCTYER-UHFFFAOYSA-N 0 0 339.457 2.073 40 0 EEABRN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000276049236 256398313 /nfs/dbraw/zinc/39/83/13/256398313.db2.gz SKQKVMJBPFPTOE-SMDDNHRTSA-N 0 0 333.413 2.189 40 0 EEABRN Cc1ccc(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C ZINC000409382892 257871916 /nfs/dbraw/zinc/87/19/16/257871916.db2.gz XDWOWSQEYPPJRK-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN CCCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 ZINC000306129061 257919504 /nfs/dbraw/zinc/91/95/04/257919504.db2.gz HSXZUSIHEMOPHC-MRXNPFEDSA-N 0 0 345.443 2.009 40 0 EEABRN CCOCC[C@@H]1CCOC12CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000306144931 257925994 /nfs/dbraw/zinc/92/59/94/257925994.db2.gz ZSNKTFXFAUGPKI-OAHLLOKOSA-N 0 0 339.457 2.201 40 0 EEABRN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(OC)nn2)cc1 ZINC000330033210 258002409 /nfs/dbraw/zinc/00/24/09/258002409.db2.gz XIGNMBRZKKPPSU-INIZCTEOSA-N 0 0 342.399 2.097 40 0 EEABRN COC(=O)CCCC(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000159204492 533347965 /nfs/dbraw/zinc/34/79/65/533347965.db2.gz JFWHLQLVWHKSPR-HNNXBMFYSA-N 0 0 327.384 2.357 40 0 EEABRN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000192192148 533596177 /nfs/dbraw/zinc/59/61/77/533596177.db2.gz IUBCBYNDZNMXRI-KFWWJZLASA-N 0 0 338.473 2.255 40 0 EEABRN O=C(NCc1ccc(F)cc1)NCC1CCN(c2ncccn2)CC1 ZINC000043977823 132414516 /nfs/dbraw/zinc/41/45/16/132414516.db2.gz CWSADVVGJDCVRE-UHFFFAOYSA-N 0 0 343.406 2.332 40 0 EEABRN Cn1ccnc1-c1cnc(N2CCOCC2)nc1-c1cccs1 ZINC000012087733 135691758 /nfs/dbraw/zinc/69/17/58/135691758.db2.gz LUUPERMELVRMIN-UHFFFAOYSA-N 0 0 327.413 2.442 40 0 EEABRN COc1cccc([C@H]2Cn3c(C)cnc3CN2C(=O)c2ccnnc2)c1 ZINC000257282957 286469546 /nfs/dbraw/zinc/46/95/46/286469546.db2.gz OWATZLSGXSLYQJ-QGZVFWFLSA-N 0 0 349.394 2.387 40 0 EEABRN CCc1cnc(N2CCc3ncnc(-c4cccnc4)c3CC2)nc1 ZINC000096083989 276682839 /nfs/dbraw/zinc/68/28/39/276682839.db2.gz QLSCHJGWDUHBRZ-UHFFFAOYSA-N 0 0 332.411 2.496 40 0 EEABRN CC(C)(C)CC(=O)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000004260724 277136719 /nfs/dbraw/zinc/13/67/19/277136719.db2.gz GOOFXDLKYJEJOT-ZBFHGGJFSA-N 0 0 343.427 2.144 40 0 biogenic,in-vitro EEABRN C[C@@H]1C/C=C/[C@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000014415575 278436215 /nfs/dbraw/zinc/43/62/15/278436215.db2.gz NHAQNKDEUQPSIX-KTTIHHLESA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)CCn1ccc2ccccc21 ZINC000079052194 278478469 /nfs/dbraw/zinc/47/84/69/278478469.db2.gz BNWVTEMTOJBADE-UHFFFAOYSA-N 0 0 336.457 2.361 40 0 EEABRN Cc1occc1C(=O)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000225464479 294048234 /nfs/dbraw/zinc/04/82/34/294048234.db2.gz ALMLTNBFHDCBHJ-MRXNPFEDSA-N 0 0 338.367 2.382 40 0 EEABRN COc1c(C)cnc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1C ZINC000245339309 294898235 /nfs/dbraw/zinc/89/82/35/294898235.db2.gz RWTGTNCHMXBISM-LSDHHAIUSA-N 0 0 326.462 2.105 40 0 EEABRN COc1cccc2c1CCCCN2C(=O)c1cnc2c(c1)nnn2C ZINC000181465791 295333954 /nfs/dbraw/zinc/33/39/54/295333954.db2.gz JINITLYPJIMROO-UHFFFAOYSA-N 0 0 337.383 2.355 40 0 EEABRN Cc1ccc([C@]2(O)N=C3C=CC(C)=CN3[C@H]2CC(=O)N(C)C)cc1 ZINC000095864798 301847452 /nfs/dbraw/zinc/84/74/52/301847452.db2.gz VLHJPCWGOSLMQL-QFBILLFUSA-N 0 0 325.412 2.175 40 0 EEABRN Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)s1 ZINC000096181788 302362630 /nfs/dbraw/zinc/36/26/30/302362630.db2.gz RUZVEOFHLQJOEG-KBPBESRZSA-N 0 0 349.387 2.128 40 0 EEABRN Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000096489328 303038512 /nfs/dbraw/zinc/03/85/12/303038512.db2.gz GLJPMVJKBBPTEP-HUUCEWRRSA-N 0 0 329.379 2.488 40 0 EEABRN CC[C@@H](C)Oc1cc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)ccn1 ZINC000332257917 311978510 /nfs/dbraw/zinc/97/85/10/311978510.db2.gz AJCRMFGKYLOPDE-BXUZGUMPSA-N 0 0 346.387 2.164 40 0 EEABRN Cc1c(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)nnn1C ZINC000333678286 312182223 /nfs/dbraw/zinc/18/22/23/312182223.db2.gz ZGZKDPJTTKLXEY-ZDUSSCGKSA-N 0 0 335.795 2.382 40 0 EEABRN C[C@@H]1NC(=S)N(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000071888429 323319709 /nfs/dbraw/zinc/31/97/09/323319709.db2.gz CAQHSTOLSHQANS-RYUDHWBXSA-N 0 0 341.477 2.129 40 0 EEABRN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1ccc[nH]1 ZINC000188238611 323455465 /nfs/dbraw/zinc/45/54/65/323455465.db2.gz SROHXYPECZFZQA-ZDUSSCGKSA-N 0 0 347.440 2.388 40 0 EEABRN CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1ncc[nH]1 ZINC000390833995 323545730 /nfs/dbraw/zinc/54/57/30/323545730.db2.gz QDDOYIIPISDPMH-UHFFFAOYSA-N 0 0 347.220 2.385 40 0 EEABRN Cc1oc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc1S(=O)(=O)N(C)C ZINC000084753676 463628026 /nfs/dbraw/zinc/62/80/26/463628026.db2.gz MBKMKOVMWGALTI-NSHDSACASA-N 0 0 342.461 2.487 40 0 EEABRN Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)c3ccccc3)C2)n1 ZINC000085555907 462553065 /nfs/dbraw/zinc/55/30/65/462553065.db2.gz SZUWWHXSJRELQF-HNNXBMFYSA-N 0 0 349.394 2.449 40 0 EEABRN CCN1C(=O)[C@@H]2C(=O)N(C)C3(c4ccccc4-c4ccccc43)[C@H]2C1=O ZINC000000302689 462553985 /nfs/dbraw/zinc/55/39/85/462553985.db2.gz QCJCNECOFMLEBD-DLBZAZTESA-N 0 0 346.386 2.004 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 ZINC000000412590 462558728 /nfs/dbraw/zinc/55/87/28/462558728.db2.gz UQZXWDHNFAXIHN-UHFFFAOYSA-N 0 0 345.428 2.382 40 0 EEABRN CCc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CCCC3 ZINC000000413754 462560246 /nfs/dbraw/zinc/56/02/46/462560246.db2.gz VTVLNTLNBSIPLL-UHFFFAOYSA-N 0 0 347.469 2.358 40 0 EEABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000000479843 462566886 /nfs/dbraw/zinc/56/68/86/462566886.db2.gz YVGUYNMHPAWIFC-UHFFFAOYSA-N 0 0 338.473 2.318 40 0 EEABRN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000074220240 462571216 /nfs/dbraw/zinc/57/12/16/462571216.db2.gz NNGQNCUMDANCPI-ZBFHGGJFSA-N 0 0 338.473 2.084 40 0 EEABRN CCCc1nnc(SCC(=O)Nc2nnc(CC)s2)n1CC ZINC000001355953 462580193 /nfs/dbraw/zinc/58/01/93/462580193.db2.gz RRXRTSJLDAKKTA-UHFFFAOYSA-N 0 0 340.478 2.395 40 0 EEABRN COC(=O)c1noc2c1CSC1=C2CS(=O)(=O)c2ccccc21 ZINC000001589600 462583869 /nfs/dbraw/zinc/58/38/69/462583869.db2.gz AAHIJSKEGCKBMD-UHFFFAOYSA-N 0 0 349.389 2.364 40 0 EEABRN CCOC(=O)[C@]1(C)C(=O)C[C@@H]2c3nc4ccccc4cc3CN2C1=O ZINC000001729777 462587004 /nfs/dbraw/zinc/58/70/04/462587004.db2.gz OFUJHSIUARGGNL-AUUYWEPGSA-N 0 0 338.363 2.160 40 0 EEABRN CCc1noc(CC)c1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000087136554 462591919 /nfs/dbraw/zinc/59/19/19/462591919.db2.gz DIEHESKMKKRUNY-JTQLQIEISA-N 0 0 348.369 2.235 40 0 EEABRN Cc1cc(C(=O)NCCc2csc3nc(C)cc(=O)n23)c(C)o1 ZINC000062021946 462606815 /nfs/dbraw/zinc/60/68/15/462606815.db2.gz PKGHPZJXPRZWLN-UHFFFAOYSA-N 0 0 331.397 2.247 40 0 EEABRN O=C(CC[C@@H]1CCCO1)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000088236460 462617835 /nfs/dbraw/zinc/61/78/35/462617835.db2.gz PGLALKLYWNKGTJ-FZMZJTMJSA-N 0 0 338.354 2.146 40 0 EEABRN CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1Cl ZINC000074935375 462657618 /nfs/dbraw/zinc/65/76/18/462657618.db2.gz HBNHQJUGRHQIOS-UHFFFAOYSA-N 0 0 332.853 2.065 40 0 EEABRN O=C(Cc1ccc(Cl)s1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000075045463 462667606 /nfs/dbraw/zinc/66/76/06/462667606.db2.gz DNAAQCGAQRESFU-UHFFFAOYSA-N 0 0 349.843 2.324 40 0 EEABRN CCc1onc(C)c1NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000089397362 462674914 /nfs/dbraw/zinc/67/49/14/462674914.db2.gz DUDGVKVUIHZOFC-UHFFFAOYSA-N 0 0 345.403 2.199 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000006176267 462678397 /nfs/dbraw/zinc/67/83/97/462678397.db2.gz ORMVERZYQCDPQZ-ZIAGYGMSSA-N 0 0 332.425 2.231 40 0 EEABRN COc1ccc(N([C@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000006306718 462682005 /nfs/dbraw/zinc/68/20/05/462682005.db2.gz XNKDANKSQQEJHM-CYBMUJFWSA-N 0 0 342.461 2.012 40 0 EEABRN CCOCCCNS(=O)(=O)c1ccc(Br)s1 ZINC000006402379 462685584 /nfs/dbraw/zinc/68/55/84/462685584.db2.gz BIEJYLPPIPBEMZ-UHFFFAOYSA-N 0 0 328.253 2.216 40 0 EEABRN CCOc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1 ZINC000075162006 462688855 /nfs/dbraw/zinc/68/88/55/462688855.db2.gz AIBMDEBOPVGVFG-UHFFFAOYSA-N 0 0 343.387 2.356 40 0 EEABRN CC(C)CCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000006762211 462704880 /nfs/dbraw/zinc/70/48/80/462704880.db2.gz ZGADEJCOWVMPGI-UHFFFAOYSA-N 0 0 346.880 2.264 40 0 EEABRN CCN(CC)C(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006948636 462714147 /nfs/dbraw/zinc/71/41/47/462714147.db2.gz QPWUKEKKAJJEMM-UHFFFAOYSA-N 0 0 339.244 2.140 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1 ZINC000010110217 462813051 /nfs/dbraw/zinc/81/30/51/462813051.db2.gz UWQFEGLXPYBUDL-UHFFFAOYSA-N 0 0 346.452 2.202 40 0 EEABRN CC(C)C(=O)N[C@@H]1CCCc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 ZINC000012241095 462848200 /nfs/dbraw/zinc/84/82/00/462848200.db2.gz JSPMMDLZCAPVPU-UMVBOHGHSA-N 0 0 332.448 2.240 40 0 EEABRN O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc(O)c1)C2 ZINC000012666151 462861581 /nfs/dbraw/zinc/86/15/81/462861581.db2.gz WVBHPWGJGKTANE-UHFFFAOYSA-N 0 0 334.379 2.096 40 0 EEABRN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CC=CCC1 ZINC000076477505 462866443 /nfs/dbraw/zinc/86/64/43/462866443.db2.gz RRCPTQMWSOOFTN-UONOGXRCSA-N 0 0 349.456 2.415 40 0 EEABRN CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076499701 462869455 /nfs/dbraw/zinc/86/94/55/462869455.db2.gz LFMJOCJJUBPRGV-CABCVRRESA-N 0 0 327.421 2.182 40 0 EEABRN CC(=O)c1cccc(NC(=O)NCc2nnc(-c3ccncc3)[nH]2)c1 ZINC000013565333 462895926 /nfs/dbraw/zinc/89/59/26/462895926.db2.gz NUYRRHVTWPXRTF-UHFFFAOYSA-N 0 0 336.355 2.391 40 0 EEABRN CC(C)N1CN=C2N[C@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638317 462898131 /nfs/dbraw/zinc/89/81/31/462898131.db2.gz DKOKBOUNZJAILS-KRWDZBQOSA-N 0 0 347.426 2.383 40 0 EEABRN CCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccc(OC)cc1 ZINC000013639279 462898544 /nfs/dbraw/zinc/89/85/44/462898544.db2.gz WSJUXYDIXCBNPN-UHFFFAOYSA-N 0 0 326.356 2.457 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715078 462900916 /nfs/dbraw/zinc/90/09/16/462900916.db2.gz NQXVJGDPDRBOAT-FZMZJTMJSA-N 0 0 330.425 2.285 40 0 EEABRN CC[C@H](C(=O)N[C@@H](C)CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715072 462901434 /nfs/dbraw/zinc/90/14/34/462901434.db2.gz NQXVJGDPDRBOAT-SMDDNHRTSA-N 0 0 330.425 2.285 40 0 EEABRN CCn1c(SCC(N)=O)nnc1-c1cc(Cl)ccc1OC ZINC000014084813 462910352 /nfs/dbraw/zinc/91/03/52/462910352.db2.gz FYKLCJKVBYVQDZ-UHFFFAOYSA-N 0 0 326.809 2.204 40 0 EEABRN CC(C)C(=O)N1c2ccccc2C(=O)N[C@@]12c1ccccc1N(C)C2=O ZINC000014162536 462914611 /nfs/dbraw/zinc/91/46/11/462914611.db2.gz VOWSJZQIBJIKCZ-FQEVSTJZSA-N 0 0 349.390 2.248 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3cccc(C)c3C)c(=O)c2cc1OC ZINC000015424578 462952415 /nfs/dbraw/zinc/95/24/15/462952415.db2.gz IKWMNWODAZXGAR-UHFFFAOYSA-N 0 0 340.383 2.305 40 0 EEABRN CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000016638506 462984170 /nfs/dbraw/zinc/98/41/70/462984170.db2.gz PLVDSVCBUUGYQC-UHFFFAOYSA-N 0 0 342.461 2.012 40 0 EEABRN C[C@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1nnc2ccccn21 ZINC000077529529 463000460 /nfs/dbraw/zinc/00/04/60/463000460.db2.gz JCXRUQIPWOTPEA-ZBEGNZNMSA-N 0 0 345.428 2.059 40 0 EEABRN Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)CN(Cc1ccccc1)CC2 ZINC000019286202 463015349 /nfs/dbraw/zinc/01/53/49/463015349.db2.gz RSFJCVQISOBLLF-QGZVFWFLSA-N 0 0 338.455 2.304 40 0 EEABRN CN1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706179 463021216 /nfs/dbraw/zinc/02/12/16/463021216.db2.gz YENXBIUKBXDTHO-INIZCTEOSA-N 0 0 339.443 2.133 40 0 EEABRN COc1cc(CNc2nnnn2C)ccc1OCc1ccccc1 ZINC000022111989 463045275 /nfs/dbraw/zinc/04/52/75/463045275.db2.gz BOBKZUKFUDCUKR-UHFFFAOYSA-N 0 0 325.372 2.410 40 0 EEABRN O=C(NCc1ccc(F)c(CO)c1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000095434764 463083495 /nfs/dbraw/zinc/08/34/95/463083495.db2.gz KGANNEGWPZQKDE-GFCCVEGCSA-N 0 0 348.340 2.209 40 0 EEABRN CCOC(=O)CCN(CC)c1nc(Cl)ncc1C(=O)OCC ZINC000095869902 463108947 /nfs/dbraw/zinc/10/89/47/463108947.db2.gz UOWWGQPBRYRUCR-UHFFFAOYSA-N 0 0 329.784 2.086 40 0 EEABRN COc1ccc(Cc2nnc(NC(=O)N3CCO[C@@H](C)C3)s2)cc1 ZINC000078611828 463133618 /nfs/dbraw/zinc/13/36/18/463133618.db2.gz PRUMMKGFFJMGPG-NSHDSACASA-N 0 0 348.428 2.390 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc(F)c(OC)c1)C2 ZINC000096039240 463144164 /nfs/dbraw/zinc/14/41/64/463144164.db2.gz RUWVCQJOMROWDJ-WMZOPIPTSA-N 0 0 337.391 2.492 40 0 EEABRN Fc1cnc(N2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000096040000 463144942 /nfs/dbraw/zinc/14/49/42/463144942.db2.gz NIADIFOECOOPHY-WMZOPIPTSA-N 0 0 344.390 2.465 40 0 EEABRN CCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2c1cnn2C ZINC000096044616 463148648 /nfs/dbraw/zinc/14/86/48/463148648.db2.gz KCRQQGKHYIQUDX-AWEZNQCLSA-N 0 0 349.456 2.053 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)s1 ZINC000096070655 463165433 /nfs/dbraw/zinc/16/54/33/463165433.db2.gz YKZIGRXMEVZIPC-YNEHKIRRSA-N 0 0 332.429 2.475 40 0 EEABRN Cn1ccnc1CN1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096069937 463165932 /nfs/dbraw/zinc/16/59/32/463165932.db2.gz OMMOMQRWIKYVEF-ROUUACIJSA-N 0 0 326.444 2.427 40 0 EEABRN O=C(c1cccs1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC000096070331 463166046 /nfs/dbraw/zinc/16/60/46/463166046.db2.gz FWWRCUGEYRJHRO-KBXCAEBGSA-N 0 0 326.421 2.494 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](Nc4nccs4)CO3)C2)[nH]n1 ZINC000096073814 463166675 /nfs/dbraw/zinc/16/66/75/463166675.db2.gz UMQIQYLPIQVXRO-WBMJQRKESA-N 0 0 347.444 2.050 40 0 EEABRN Cc1nc(CO[C@H]2CO[C@]3(CCN(Cc4c[nH]cn4)C3)C2)cs1 ZINC000096072410 463167665 /nfs/dbraw/zinc/16/76/65/463167665.db2.gz QCTHLMPVTXGDCB-HZPDHXFCSA-N 0 0 334.445 2.125 40 0 EEABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cn1 ZINC000096112104 463179393 /nfs/dbraw/zinc/17/93/93/463179393.db2.gz OUQMTCIAIIYQEL-CJNGLKHVSA-N 0 0 330.363 2.300 40 0 biogenic,in-vitro EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000096181816 463194405 /nfs/dbraw/zinc/19/44/05/463194405.db2.gz AJQZJXVNDWMGIJ-QZTJIDSGSA-N 0 0 342.370 2.040 40 0 EEABRN CN1CCN(C(=O)CCCN2c3ccccc3C(C)(C)CC2=O)CC1 ZINC000096183647 463196458 /nfs/dbraw/zinc/19/64/58/463196458.db2.gz AXCPVAYOXCTNPK-UHFFFAOYSA-N 0 0 343.471 2.255 40 0 EEABRN Cn1cccc1C(=O)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096187214 463198478 /nfs/dbraw/zinc/19/84/78/463198478.db2.gz LDSJZOUZMNPRDW-KBMXLJTQSA-N 0 0 345.374 2.010 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1cnn(C)c1 ZINC000027919482 463209633 /nfs/dbraw/zinc/20/96/33/463209633.db2.gz OVWZTEODJNSGKJ-SECBINFHSA-N 0 0 344.234 2.222 40 0 EEABRN O=C1CC[C@]2(CCCN(c3ncccn3)CC2)N1Cc1cccnc1 ZINC000096218035 463215500 /nfs/dbraw/zinc/21/55/00/463215500.db2.gz SRWYGNAJZCNJLF-IBGZPJMESA-N 0 0 337.427 2.423 40 0 EEABRN Cc1cnc(N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222510 463219297 /nfs/dbraw/zinc/21/92/97/463219297.db2.gz SGFDXJALMWZTFJ-WMZOPIPTSA-N 0 0 326.400 2.387 40 0 EEABRN COc1cc(N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)ncn1 ZINC000096239223 463224696 /nfs/dbraw/zinc/22/46/96/463224696.db2.gz DVAVTJZUMISCNF-INIZCTEOSA-N 0 0 330.413 2.180 40 0 EEABRN c1nc(CNc2ncccn2)c2n1CCCN(Cc1cccnc1)C2 ZINC000096259421 463230538 /nfs/dbraw/zinc/23/05/38/463230538.db2.gz CFDXZYLWMOSLOE-UHFFFAOYSA-N 0 0 335.415 2.086 40 0 EEABRN O=C(NCc1ccccc1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 ZINC000096266036 463231847 /nfs/dbraw/zinc/23/18/47/463231847.db2.gz VEWLIDOZEPMPTN-UHFFFAOYSA-N 0 0 348.362 2.156 40 0 EEABRN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(=O)NC(C)C)C2 ZINC000096296253 463234382 /nfs/dbraw/zinc/23/43/82/463234382.db2.gz DZQLYHBDOQMVSU-ZDUSSCGKSA-N 0 0 344.415 2.165 40 0 biogenic,in-vitro EEABRN Cc1nnc(CN2CCN(CCOc3ccccc3Cl)CC2)o1 ZINC000054422008 463235298 /nfs/dbraw/zinc/23/52/98/463235298.db2.gz VHZVEAKFDAMYRK-UHFFFAOYSA-N 0 0 336.823 2.228 40 0 EEABRN O=C(NC1(c2nnn(Cc3ccncc3)n2)CCCC1)c1ccccc1 ZINC000096408061 463241122 /nfs/dbraw/zinc/24/11/22/463241122.db2.gz WTPOGJUYMQYLTD-UHFFFAOYSA-N 0 0 348.410 2.316 40 0 EEABRN O=C(CCCNC(=O)C1CC1)NCCNc1ccc2ccccc2n1 ZINC000096411890 463244997 /nfs/dbraw/zinc/24/49/97/463244997.db2.gz LNRIYDHRFHJBBA-UHFFFAOYSA-N 0 0 340.427 2.069 40 0 EEABRN CC(C)(C(=O)N[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000096413187 463245770 /nfs/dbraw/zinc/24/57/70/463245770.db2.gz YNNFLDZOPALTCX-ZDUSSCGKSA-N 0 0 329.849 2.311 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1cccc(Br)c1 ZINC000096415204 463248044 /nfs/dbraw/zinc/24/80/44/463248044.db2.gz YLPFKOHVPRGYNG-JOYOIKCWSA-N 0 0 340.221 2.040 40 0 EEABRN CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccnc1Cl ZINC000096418753 463250601 /nfs/dbraw/zinc/25/06/01/463250601.db2.gz AMKUAOMQQRELLK-AWEZNQCLSA-N 0 0 332.787 2.430 40 0 EEABRN Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000096425169 463254589 /nfs/dbraw/zinc/25/45/89/463254589.db2.gz VXDGLUWLSBKQLB-GFCCVEGCSA-N 0 0 341.390 2.473 40 0 EEABRN CCc1cnc(CCNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000096428660 463258234 /nfs/dbraw/zinc/25/82/34/463258234.db2.gz FVHXWHOUVJNNLK-RYUDHWBXSA-N 0 0 331.507 2.060 40 0 EEABRN CCOCCCn1nc(C)c(S(=O)(=O)N2CCCCC2)c1C ZINC000096428824 463259063 /nfs/dbraw/zinc/25/90/63/463259063.db2.gz VJQYVKQQKLLMSN-UHFFFAOYSA-N 0 0 329.466 2.101 40 0 EEABRN CC(C)(C)c1cnc(CSc2nnc(C3CCOCC3)n2N)o1 ZINC000096430272 463260043 /nfs/dbraw/zinc/26/00/43/463260043.db2.gz IIFFDQVFMGGMGA-UHFFFAOYSA-N 0 0 337.449 2.464 40 0 EEABRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3occc3C)CC2)n1 ZINC000096431739 463261525 /nfs/dbraw/zinc/26/15/25/463261525.db2.gz GLRXXRXYZRWKIF-ZDUSSCGKSA-N 0 0 348.403 2.027 40 0 EEABRN O=C(NCCNc1ccccn1)c1cc(N2CCCC2=O)ccc1F ZINC000096435988 463263434 /nfs/dbraw/zinc/26/34/34/463263434.db2.gz HQQYYTFILOOOQN-UHFFFAOYSA-N 0 0 342.374 2.189 40 0 EEABRN O=S1(=O)CCCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000096443344 463268631 /nfs/dbraw/zinc/26/86/31/463268631.db2.gz KFIWJOQRINYAHC-UHFFFAOYSA-N 0 0 329.372 2.052 40 0 EEABRN C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1cccc(-n2cccn2)c1 ZINC000096444537 463269755 /nfs/dbraw/zinc/26/97/55/463269755.db2.gz LCXCJUTXNFCJOD-CYBMUJFWSA-N 0 0 337.383 2.454 40 0 EEABRN Cn1cc(C[C@@H]2CCN(C(=O)Nc3cccc([S@](C)=O)c3)C2)cn1 ZINC000096445984 463270959 /nfs/dbraw/zinc/27/09/59/463270959.db2.gz WGISYLXCZZAWFA-RKNYENMMSA-N 0 0 346.456 2.254 40 0 EEABRN Cn1c(C(=O)N[C@@H]2CC[S@](=O)C2)cc2cc(C(F)(F)F)ccc21 ZINC000096449909 463271971 /nfs/dbraw/zinc/27/19/71/463271971.db2.gz PTYYMBJWCOZVSU-QVQLBTGDSA-N 0 0 344.358 2.448 40 0 EEABRN COCCOC1CN(C(=O)c2cccc(Br)c2C)C1 ZINC000096450022 463272123 /nfs/dbraw/zinc/27/21/23/463272123.db2.gz NHRQBRJPNXCHPZ-UHFFFAOYSA-N 0 0 328.206 2.245 40 0 EEABRN CC[C@@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000096451344 463272783 /nfs/dbraw/zinc/27/27/83/463272783.db2.gz JURMQEOJPHGVHL-LLVKDONJSA-N 0 0 330.475 2.451 40 0 EEABRN O=c1c(NS(=O)(=O)c2cccs2)cccn1CC(F)(F)F ZINC000096461914 463276227 /nfs/dbraw/zinc/27/62/27/463276227.db2.gz YDJFXJROJFPMPJ-UHFFFAOYSA-N 0 0 338.332 2.273 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3c[nH]cn3)cc2)n1 ZINC000096461237 463276792 /nfs/dbraw/zinc/27/67/92/463276792.db2.gz LHUJJQIAEWYZTI-CYBMUJFWSA-N 0 0 345.428 2.252 40 0 EEABRN Cc1ccc(-c2nc3ccccc3n2C[C@@H](O)CN2CCOCC2)o1 ZINC000096471607 463279108 /nfs/dbraw/zinc/27/91/08/463279108.db2.gz BABZGDBGKXYBGV-HNNXBMFYSA-N 0 0 341.411 2.298 40 0 EEABRN O=C(C1=CCCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000096471679 463279176 /nfs/dbraw/zinc/27/91/76/463279176.db2.gz FMIJHTQOBUPXEC-UHFFFAOYSA-N 0 0 340.470 2.128 40 0 EEABRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000096473819 463279206 /nfs/dbraw/zinc/27/92/06/463279206.db2.gz UWDDWVZZHVASPU-KBPBESRZSA-N 0 0 336.388 2.057 40 0 EEABRN C[C@@H](c1ccccn1)N1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159346344 463281716 /nfs/dbraw/zinc/28/17/16/463281716.db2.gz QQSZNYRXGBUDDA-HNNXBMFYSA-N 0 0 339.443 2.062 40 0 EEABRN O=C(CCN1CCN(c2ccncc2Cl)CC1)N1CCCCC1 ZINC000096487499 463285449 /nfs/dbraw/zinc/28/54/49/463285449.db2.gz AOPXIUYAYZVJCU-UHFFFAOYSA-N 0 0 336.867 2.260 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1COC[C@@H]1O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000096495743 463289066 /nfs/dbraw/zinc/28/90/66/463289066.db2.gz WMDFCCKAYMQOEJ-QOBDMFJFSA-N 0 0 346.349 2.256 40 0 EEABRN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000096502579 463292770 /nfs/dbraw/zinc/29/27/70/463292770.db2.gz RGDSZXOSJWXUOS-LZWOXQAQSA-N 0 0 328.416 2.019 40 0 EEABRN NC(=O)c1ccccc1OCC(=O)c1cnc(N2CCCCC2)s1 ZINC000096979046 463302166 /nfs/dbraw/zinc/30/21/66/463302166.db2.gz UFQHHPOLRBIIBV-UHFFFAOYSA-N 0 0 345.424 2.494 40 0 EEABRN COc1ccccc1C(=O)NCC(=O)NC1(c2ccccc2F)CC1 ZINC000097096058 463323052 /nfs/dbraw/zinc/32/30/52/463323052.db2.gz ZRGRDFZNOVXYKS-UHFFFAOYSA-N 0 0 342.370 2.370 40 0 EEABRN C[C@@H](Nc1ccc2[nH]nnc2c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097231538 463351109 /nfs/dbraw/zinc/35/11/09/463351109.db2.gz DQBOATSASPXMGG-LLVKDONJSA-N 0 0 345.428 2.381 40 0 EEABRN Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1nccn(C)c1=O)CCC2 ZINC000097375111 463356330 /nfs/dbraw/zinc/35/63/30/463356330.db2.gz WPBVQOQFNMUPSF-LLVKDONJSA-N 0 0 333.417 2.087 40 0 EEABRN COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000103248006 463398637 /nfs/dbraw/zinc/39/86/37/463398637.db2.gz BNDCPXSZYAFJJR-ZETCQYMHSA-N 0 0 328.217 2.315 40 0 EEABRN COc1cccc(N2C(=O)C[C@H](Nc3ccccc3OC)C2=O)c1 ZINC000036635610 463437667 /nfs/dbraw/zinc/43/76/67/463437667.db2.gz CPEUZCDAFHAWRJ-HNNXBMFYSA-N 0 0 326.352 2.448 40 0 EEABRN Cc1cc(Cl)cnc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000041107525 463468320 /nfs/dbraw/zinc/46/83/20/463468320.db2.gz KRIIQNUNUQZPOV-UHFFFAOYSA-N 0 0 328.759 2.461 40 0 EEABRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000057315126 463477211 /nfs/dbraw/zinc/47/72/11/463477211.db2.gz HTZSLWAURUCXLH-OLZOCXBDSA-N 0 0 338.835 2.343 40 0 EEABRN Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2C2CC2)on1 ZINC000072340352 463509357 /nfs/dbraw/zinc/50/93/57/463509357.db2.gz OBJIYEDZZLZVGS-UHFFFAOYSA-N 0 0 343.431 2.452 40 0 EEABRN CCOCCCNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000042646291 463583150 /nfs/dbraw/zinc/58/31/50/463583150.db2.gz AORJSPGYRAVDGU-UHFFFAOYSA-N 0 0 343.221 2.239 40 0 EEABRN COc1cc(C(=O)Nc2nc(C)no2)cc(OC)c1Br ZINC000042703110 463588793 /nfs/dbraw/zinc/58/87/93/463588793.db2.gz RJFPTCHPTHKZOB-UHFFFAOYSA-N 0 0 342.149 2.410 40 0 EEABRN O=C(c1ccncc1F)N1CCC2(CC(Nc3ncccn3)C2)C1 ZINC000108528841 463610454 /nfs/dbraw/zinc/61/04/54/463610454.db2.gz ULWCTTRYXSSRSM-UHFFFAOYSA-N 0 0 327.363 2.118 40 0 EEABRN O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC000044442029 463678760 /nfs/dbraw/zinc/67/87/60/463678760.db2.gz DKXTXAVKXZWWAM-ZUEPYMLJSA-N 0 0 340.427 2.232 40 0 EEABRN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000170891034 463734597 /nfs/dbraw/zinc/73/45/97/463734597.db2.gz UFILULFUPZZKIK-GFCCVEGCSA-N 0 0 343.408 2.457 40 0 EEABRN CN(C)C(=O)c1cnc([C@H]2CCCN2C(=O)c2ccncc2)s1 ZINC000257285211 463761836 /nfs/dbraw/zinc/76/18/36/463761836.db2.gz PGCPLQZTKMXCSG-GFCCVEGCSA-N 0 0 330.413 2.217 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@H](c3nccc(C)n3)C2)s1 ZINC000257286322 463762757 /nfs/dbraw/zinc/76/27/57/463762757.db2.gz PLDBTJXYAIPXKE-ZDUSSCGKSA-N 0 0 332.429 2.001 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2C)cc1 ZINC000257299515 463769380 /nfs/dbraw/zinc/76/93/80/463769380.db2.gz RQKDDDVGSPSSGW-IBGZPJMESA-N 0 0 342.443 2.143 40 0 EEABRN COc1ncccc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257306129 463770331 /nfs/dbraw/zinc/77/03/31/463770331.db2.gz STAREIUHGRRFTB-VQIMIIECSA-N 0 0 342.395 2.135 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)ccn1 ZINC000257313106 463774006 /nfs/dbraw/zinc/77/40/06/463774006.db2.gz URBRXDGFGOLUSD-INIZCTEOSA-N 0 0 327.384 2.471 40 0 EEABRN COc1cccc(F)c1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315682 463774556 /nfs/dbraw/zinc/77/45/56/463774556.db2.gz VCKGDKNKURFYKM-AWEZNQCLSA-N 0 0 347.390 2.164 40 0 EEABRN CCC1(CC)CN(C(=O)c2nc3cccnc3s2)CC[S@]1=O ZINC000194021343 463774943 /nfs/dbraw/zinc/77/49/43/463774943.db2.gz LTVWEKMFXQURDA-JOCHJYFZSA-N 0 0 337.470 2.455 40 0 EEABRN CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)CCOc1ccccc1 ZINC000257316452 463775598 /nfs/dbraw/zinc/77/55/98/463775598.db2.gz VFQJFKSDYJVSLC-IAGOWNOFSA-N 0 0 330.428 2.457 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc3c(N)n[nH]c3n2)C1 ZINC000257319579 463776460 /nfs/dbraw/zinc/77/64/60/463776460.db2.gz VTCDDUWTGRFTQJ-NSHDSACASA-N 0 0 340.387 2.165 40 0 EEABRN CCCn1cc(Cl)c(C(=O)N2CCC[C@@H]2c2ccnc(=O)[nH]2)n1 ZINC000257319669 463776946 /nfs/dbraw/zinc/77/69/46/463776946.db2.gz VTNVUNLVFOKWKO-GFCCVEGCSA-N 0 0 335.795 2.419 40 0 EEABRN O=C(CN1CCCC1=O)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257324919 463778002 /nfs/dbraw/zinc/77/80/02/463778002.db2.gz WQTJCTKRHVZUJL-XKQJLSEDSA-N 0 0 346.402 2.064 40 0 EEABRN CN(C)c1nccnc1[C@H]1CN(CCOc2ccc(F)cc2)CCO1 ZINC000257326808 463779377 /nfs/dbraw/zinc/77/93/77/463779377.db2.gz WYQYAPVIUZVJEQ-MRXNPFEDSA-N 0 0 346.406 2.134 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260892751 463791624 /nfs/dbraw/zinc/79/16/24/463791624.db2.gz FRBZDKXOVMEAEE-NEPJUHHUSA-N 0 0 330.425 2.141 40 0 EEABRN CN(C)c1noc([C@@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 ZINC000194508461 463875380 /nfs/dbraw/zinc/87/53/80/463875380.db2.gz KEDCTWRLALWOSL-SNVBAGLBSA-N 0 0 336.342 2.434 40 0 EEABRN CCC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000185823302 463884750 /nfs/dbraw/zinc/88/47/50/463884750.db2.gz AOCHBVNUPZLMSQ-AWEZNQCLSA-N 0 0 338.354 2.055 40 0 EEABRN COc1ccccc1OCCn1cnnc1[C@@H](O)c1ccccc1 ZINC000195172623 464009940 /nfs/dbraw/zinc/00/99/40/464009940.db2.gz FHAZOIPRDODLMH-KRWDZBQOSA-N 0 0 325.368 2.447 40 0 EEABRN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1COCCN1 ZINC000195543065 464073178 /nfs/dbraw/zinc/07/31/78/464073178.db2.gz OJFXAZMHSOKNRW-SFVCAHMASA-N 0 0 348.446 2.388 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000195553878 464075839 /nfs/dbraw/zinc/07/58/39/464075839.db2.gz CGXCQQCKPKABQL-MSOLQXFVSA-N 0 0 345.468 2.185 40 0 EEABRN CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000195578034 464080582 /nfs/dbraw/zinc/08/05/82/464080582.db2.gz ASOOQHDSEUKDIM-LLVKDONJSA-N 0 0 343.349 2.477 40 0 EEABRN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1 ZINC000218362646 464109119 /nfs/dbraw/zinc/10/91/19/464109119.db2.gz BXRWTUGXDKJDCD-ROUUACIJSA-N 0 0 346.448 2.214 40 0 EEABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222904147 464134887 /nfs/dbraw/zinc/13/48/87/464134887.db2.gz UWWNQNVXFNONIK-CZUORRHYSA-N 0 0 336.407 2.248 40 0 EEABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(N)(=O)=O ZINC000223036689 464135785 /nfs/dbraw/zinc/13/57/85/464135785.db2.gz QTDGPDHSLDLQAW-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCN1CCOCC1 ZINC000223023153 464136031 /nfs/dbraw/zinc/13/60/31/464136031.db2.gz RVYBOBADSMTZBE-MRXNPFEDSA-N 0 0 340.851 2.254 40 0 EEABRN C[C@H]1CCCCN(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1 ZINC000187692510 464151052 /nfs/dbraw/zinc/15/10/52/464151052.db2.gz PVFUNWMTXGNKGH-SWLSCSKDSA-N 0 0 344.415 2.091 40 0 EEABRN CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000225211728 464154810 /nfs/dbraw/zinc/15/48/10/464154810.db2.gz SXMUPOKLRXTWSU-DZGCQCFKSA-N 0 0 326.462 2.392 40 0 EEABRN Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1 ZINC000225466732 464162443 /nfs/dbraw/zinc/16/24/43/464162443.db2.gz TXSCILRZHRQAQJ-CQSZACIVSA-N 0 0 339.461 2.291 40 0 EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000225505107 464166413 /nfs/dbraw/zinc/16/64/13/464166413.db2.gz VZLPRYCOMOXUMQ-LSDHHAIUSA-N 0 0 330.432 2.269 40 0 EEABRN CO[C@H](C)CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000225513064 464168220 /nfs/dbraw/zinc/16/82/20/464168220.db2.gz QIAGTIKGOCWTMT-SECBINFHSA-N 0 0 343.221 2.218 40 0 EEABRN Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)c1 ZINC000225580609 464173949 /nfs/dbraw/zinc/17/39/49/464173949.db2.gz QYPZNWHOKUYNDY-ZBFHGGJFSA-N 0 0 338.473 2.247 40 0 EEABRN Cc1nnsc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225684331 464179031 /nfs/dbraw/zinc/17/90/31/464179031.db2.gz OJUJBRMRKHSIIU-OAHLLOKOSA-N 0 0 328.441 2.119 40 0 EEABRN O=C(NCc1cccs1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000225697467 464181203 /nfs/dbraw/zinc/18/12/03/464181203.db2.gz OQKWHFYGUZQARF-FUNVUKJBSA-N 0 0 347.440 2.102 40 0 EEABRN COc1ccc(C(=O)Nc2cc(N)ccc2N2CCOCC2)cc1 ZINC000226252894 464183554 /nfs/dbraw/zinc/18/35/54/464183554.db2.gz JXCWMGMWUJFBJB-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN O=C(NCCC1=CCCCC1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000188919447 464395843 /nfs/dbraw/zinc/39/58/43/464395843.db2.gz XOTWSNRFTPCAAQ-QZTJIDSGSA-N 0 0 346.471 2.434 40 0 EEABRN O=C1NCCN(Cc2cc[nH]c2)[C@@H]1c1ccccc1Br ZINC000239882319 464445744 /nfs/dbraw/zinc/44/57/44/464445744.db2.gz DBCHNTSFWDZHQD-CQSZACIVSA-N 0 0 334.217 2.450 40 0 EEABRN COc1ccc(NC(=O)c2c3n(c(=O)cc2OC)CCC3)cc1F ZINC000244969150 464466572 /nfs/dbraw/zinc/46/65/72/464466572.db2.gz HBDQVDPNTPIUJC-UHFFFAOYSA-N 0 0 332.331 2.203 40 0 EEABRN CCn1cc(CNc2cccc(CN3CCN(C(C)=O)CC3)c2)cn1 ZINC000189511379 464522164 /nfs/dbraw/zinc/52/21/64/464522164.db2.gz MEUVGXFRUIZGCZ-UHFFFAOYSA-N 0 0 341.459 2.179 40 0 EEABRN Cc1cccc(F)c1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000190485048 464656085 /nfs/dbraw/zinc/65/60/85/464656085.db2.gz NWJMVAYOJJRTAY-UHFFFAOYSA-N 0 0 338.408 2.009 40 0 EEABRN CC(C)N1C(=O)C[C@H](NC(=O)c2c(F)cccc2C(F)(F)F)C1=O ZINC000190577936 464681015 /nfs/dbraw/zinc/68/10/15/464681015.db2.gz XYNHGUAXLSGDKF-JTQLQIEISA-N 0 0 346.280 2.110 40 0 EEABRN COCC[C@H]1CCOC12CN(C(=O)COc1cccc(Cl)c1)C2 ZINC000247826268 464709269 /nfs/dbraw/zinc/70/92/69/464709269.db2.gz FYWDQNFAJMSQLO-ZDUSSCGKSA-N 0 0 339.819 2.373 40 0 EEABRN CCn1cc([C@@H]2CN(CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780623 464719807 /nfs/dbraw/zinc/71/98/07/464719807.db2.gz SDAQJOQJGURPAD-KRWDZBQOSA-N 0 0 328.416 2.305 40 0 EEABRN Cc1occc1C(=O)NC1CCN(Cc2ncnn2CC(C)C)CC1 ZINC000182741096 464720104 /nfs/dbraw/zinc/72/01/04/464720104.db2.gz BBGKVVZEFSEOTJ-UHFFFAOYSA-N 0 0 345.447 2.230 40 0 EEABRN O=C1CCCCN1C[C@@H]1CCC2(CN(Cc3ccccn3)C2)OC1 ZINC000248004985 464723043 /nfs/dbraw/zinc/72/30/43/464723043.db2.gz SPXNRGAITCXBET-INIZCTEOSA-N 0 0 329.444 2.075 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cn1 ZINC000248096769 464729350 /nfs/dbraw/zinc/72/93/50/464729350.db2.gz MSEIORUSGLLXMI-SQNIBIBYSA-N 0 0 335.407 2.277 40 0 EEABRN Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000248096003 464729361 /nfs/dbraw/zinc/72/93/61/464729361.db2.gz CZRNJMBRKQGYJN-HNNXBMFYSA-N 0 0 343.427 2.029 40 0 EEABRN Cn1cc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000248090558 464729545 /nfs/dbraw/zinc/72/95/45/464729545.db2.gz CEAHPMNCCSPHRP-GBESFXJTSA-N 0 0 342.443 2.011 40 0 EEABRN COc1ccnc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)c1OC ZINC000190865980 464735284 /nfs/dbraw/zinc/73/52/84/464735284.db2.gz ZBSFHGURWQIDOH-MRXNPFEDSA-N 0 0 341.411 2.336 40 0 EEABRN CN(CCc1cccs1)c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000266243525 464769647 /nfs/dbraw/zinc/76/96/47/464769647.db2.gz XWDGNQFODZQDJD-CQSZACIVSA-N 0 0 332.473 2.426 40 0 EEABRN C[C@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC000191686753 464824841 /nfs/dbraw/zinc/82/48/41/464824841.db2.gz OJRRJEVSPZMMAH-JVXZTZIISA-N 0 0 339.754 2.477 40 0 EEABRN CCOC(=O)C[C@@H](O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000252508212 464975934 /nfs/dbraw/zinc/97/59/34/464975934.db2.gz XGQLTTARBUPBAN-MRXNPFEDSA-N 0 0 334.416 2.320 40 0 EEABRN Cc1cc(C)nc(N2CCc3ccc(S(C)(=O)=O)cc3CC2)n1 ZINC000253393254 464999159 /nfs/dbraw/zinc/99/91/59/464999159.db2.gz XNZLJWBYCHVPCF-UHFFFAOYSA-N 0 0 331.441 2.102 40 0 EEABRN O=C(c1cc(Br)cs1)N1CC(Nc2ncccn2)C1 ZINC000253471880 465015387 /nfs/dbraw/zinc/01/53/87/465015387.db2.gz GJPUNXOZCWXWCB-UHFFFAOYSA-N 0 0 339.218 2.237 40 0 EEABRN COCCCNC(=O)[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000306144136 466493673 /nfs/dbraw/zinc/49/36/73/466493673.db2.gz YXBBGKKHGZWLSC-ZDUSSCGKSA-N 0 0 331.391 2.473 40 0 EEABRN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000332317713 466505015 /nfs/dbraw/zinc/50/50/15/466505015.db2.gz KQXDOWJYQJXXBY-HZMBPMFUSA-N 0 0 347.806 2.172 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2cn(C(C)C)c3ccccc23)C1=O ZINC000408549736 466681501 /nfs/dbraw/zinc/68/15/01/466681501.db2.gz XXXRMRRUOLDXBE-RIYZIHGNSA-N 0 0 341.367 2.288 40 0 EEABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ncccn3)n2C)cc1 ZINC000409173265 466685307 /nfs/dbraw/zinc/68/53/07/466685307.db2.gz IACRLIUJKFTSRY-UHFFFAOYSA-N 0 0 340.412 2.311 40 0 EEABRN COc1ccc(CN2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)cc1 ZINC000514290355 467941874 /nfs/dbraw/zinc/94/18/74/467941874.db2.gz YIZKNFSSYOJNMY-MJGOQNOKSA-N 0 0 338.407 2.413 40 0 biogenic,in-vitro EEABRN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000514289435 467941927 /nfs/dbraw/zinc/94/19/27/467941927.db2.gz KQSIRSNQQBWGLZ-WBVHZDCISA-N 0 0 346.402 2.450 40 0 biogenic,in-vitro EEABRN CCO[C@@H]1CCOC2(CN(S(=O)(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000575402865 468140469 /nfs/dbraw/zinc/14/04/69/468140469.db2.gz DKLOORODTRQKCP-OAHLLOKOSA-N 0 0 339.457 2.262 40 0 EEABRN COC(=O)[C@H]1CCc2nnc(-c3ccc(OC)c(OC)c3)n2CC1 ZINC000601043728 468728714 /nfs/dbraw/zinc/72/87/14/468728714.db2.gz HZOHLVRAFOKIDE-NSHDSACASA-N 0 0 331.372 2.088 40 0 EEABRN CCOC[C@H]1CCn2nccc2CN1C(=O)c1ccc(OC)cc1 ZINC000585096715 468964680 /nfs/dbraw/zinc/96/46/80/468964680.db2.gz AZPFGCFRHYJBBH-MRXNPFEDSA-N 0 0 329.400 2.343 40 0 EEABRN O=C(c1ccco1)N1CCC[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1 ZINC000585099930 468969279 /nfs/dbraw/zinc/96/92/79/468969279.db2.gz XDGGWKNEPBTMBE-JRSKDTKFSA-N 0 0 334.391 2.482 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585103236 468970057 /nfs/dbraw/zinc/97/00/57/468970057.db2.gz AGPZQARRRRFFMH-ZDUSSCGKSA-N 0 0 347.465 2.455 40 0 EEABRN Cc1nocc1C(=O)N1CC[C@]2(C1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC000585106922 468971803 /nfs/dbraw/zinc/97/18/03/468971803.db2.gz LHQWRJVXBJZHMK-VQIMIIECSA-N 0 0 339.395 2.071 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000585108106 468971994 /nfs/dbraw/zinc/97/19/94/468971994.db2.gz CLPLWFHYIIECKV-DLBZAZTESA-N 0 0 338.411 2.436 40 0 EEABRN Cn1cnc2c1[C@H](C(=O)N1CCCCC1)CN(Cc1ccco1)C2 ZINC000585110851 468973426 /nfs/dbraw/zinc/97/34/26/468973426.db2.gz QEJULFAFFLBZRB-OAHLLOKOSA-N 0 0 328.416 2.125 40 0 EEABRN CCCc1cc(NC(=O)Nc2cc(-c3cccnc3)[nH]n2)n(C)n1 ZINC000585141015 468990770 /nfs/dbraw/zinc/99/07/70/468990770.db2.gz NZSYOUFRLHSXGA-UHFFFAOYSA-N 0 0 325.376 2.802 40 0 EEABRN COc1ccccc1C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585273979 468998596 /nfs/dbraw/zinc/99/85/96/468998596.db2.gz XRPWTRJYPGZDPH-HXUWFJFHSA-N 0 0 341.407 2.141 40 0 EEABRN CO[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585278477 469003801 /nfs/dbraw/zinc/00/38/01/469003801.db2.gz FOQXPEKSOVKJSC-WBVHZDCISA-N 0 0 331.391 2.128 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnn(C)c2C)CC[C@@H]1Cc1ccccc1 ZINC000585280023 469005781 /nfs/dbraw/zinc/00/57/81/469005781.db2.gz WJMFFDXFNRKWHZ-SJLPKXTDSA-N 0 0 327.428 2.448 40 0 EEABRN Cc1c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cnn1C(C)(C)C ZINC000154138863 533805396 /nfs/dbraw/zinc/80/53/96/533805396.db2.gz IOXBBYMTULGNBU-CQSZACIVSA-N 0 0 344.463 2.079 40 0 EEABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccncc2)c1 ZINC000130675259 534162589 /nfs/dbraw/zinc/16/25/89/534162589.db2.gz WQXSUOHAVJXKTJ-UHFFFAOYSA-N 0 0 340.788 2.000 40 0 EEABRN CCOc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225212885 517733272 /nfs/dbraw/zinc/73/32/72/517733272.db2.gz ANHUEHOPRGUONF-ZDUSSCGKSA-N 0 0 342.461 2.012 40 0 EEABRN CCc1ccc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)cc1 ZINC000244942672 523970258 /nfs/dbraw/zinc/97/02/58/523970258.db2.gz CUGMQEGLDPIWOJ-UHFFFAOYSA-N 0 0 348.410 2.300 40 0 EEABRN CC(=O)N1CCO[C@@](C)(C(=O)NCc2cccc3ccccc32)C1 ZINC000257231333 534799267 /nfs/dbraw/zinc/79/92/67/534799267.db2.gz GGFMJFZJHOEAGU-LJQANCHMSA-N 0 0 326.396 2.093 40 0 EEABRN CCCc1nn(C)c(C(N)=O)c1-n1c2ccccc2nc1OCC ZINC000226823346 535548919 /nfs/dbraw/zinc/54/89/19/535548919.db2.gz YIQHHTDHRTXSIM-UHFFFAOYSA-N 0 0 327.388 2.209 40 0 EEABRN CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 ZINC000257243167 536093148 /nfs/dbraw/zinc/09/31/48/536093148.db2.gz IFRYTXHDQQNGNR-INIZCTEOSA-N 0 0 338.473 2.222 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3cn(C)nc3C)CC2)cn1 ZINC000257213911 536421690 /nfs/dbraw/zinc/42/16/90/536421690.db2.gz CJQOSOQJSMUXNC-AWEZNQCLSA-N 0 0 342.447 2.045 40 0 EEABRN COc1ccc(OCC(=O)N2CCC3(CC2)OCCC[C@H]3OC)cc1 ZINC000257285135 536837565 /nfs/dbraw/zinc/83/75/65/536837565.db2.gz PFUTXHDYJWOTFC-QGZVFWFLSA-N 0 0 349.427 2.261 40 0 EEABRN NC(=O)c1nccnc1N1CC(Cc2ccc(Br)cc2)C1 ZINC000896448410 684980953 /nfs/dbraw/zinc/98/09/53/684980953.db2.gz JVXVSMNCSZQJKD-UHFFFAOYSA-N 0 0 347.216 2.017 40 0 EEABRN Cc1cscc1NC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000930503475 1206563060 /nfs/dbraw/zinc/56/30/60/1206563060.db2.gz SAMORULCOJMNHM-ZDUSSCGKSA-N 0 0 328.459 2.488 40 0 EEABRN Cc1ccc([C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)nc3)C2)cc1 ZINC000935355397 1208138261 /nfs/dbraw/zinc/13/82/61/1208138261.db2.gz DFTNFQLCRWFDKY-INIZCTEOSA-N 0 0 344.436 2.423 40 0 EEABRN Cc1ccc(Cl)cc1CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC001548453238 1110491218 /nfs/dbraw/zinc/49/12/18/1110491218.db2.gz UYKHBNMTUATRMX-LBPRGKRZSA-N 0 0 344.864 2.367 40 0 EEABRN COc1ccc(C2(CNC(=O)NC[C@@H]3CCCO3)CCOCC2)cc1 ZINC000056528969 214378261 /nfs/dbraw/zinc/37/82/61/214378261.db2.gz UDSZLUQFFPBZSG-KRWDZBQOSA-N 0 0 348.443 2.222 40 0 EEABRN Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCCN2Cc1cccnc1 ZINC000097953771 219065183 /nfs/dbraw/zinc/06/51/83/219065183.db2.gz GQSSVOWHFWYFFB-YESZJQIVSA-N 0 0 329.375 2.427 40 0 EEABRN CCc1ncc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)cn1 ZINC000130800544 529757950 /nfs/dbraw/zinc/75/79/50/529757950.db2.gz XMGZYYGRZUVCLF-OAHLLOKOSA-N 0 0 341.415 2.070 40 0 EEABRN O=C(C1CCCC1)N1CC[C@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000004260788 210154651 /nfs/dbraw/zinc/15/46/51/210154651.db2.gz IANCHONYKPCMII-CABCVRRESA-N 0 0 345.374 2.042 40 0 biogenic,in-vitro EEABRN COc1ccc(C(N)=O)c(OCC(=O)NCc2ccccc2Cl)c1 ZINC000048231223 213898729 /nfs/dbraw/zinc/89/87/29/213898729.db2.gz GPQBMWLPUJDUKY-UHFFFAOYSA-N 0 0 348.786 2.143 40 0 EEABRN CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCOC ZINC000004161569 210135095 /nfs/dbraw/zinc/13/50/95/210135095.db2.gz NUKHSWXGJHJBHK-UHFFFAOYSA-N 0 0 336.413 2.088 40 0 EEABRN Cc1ccc(Br)cc1NC(=O)CCN1C(=O)CCC1=O ZINC000046375589 213797884 /nfs/dbraw/zinc/79/78/84/213797884.db2.gz VEAZSPFRDBMSSB-UHFFFAOYSA-N 0 0 339.189 2.235 40 0 EEABRN CC(C)Oc1cccc(C(=O)NCc2nnc3n2CCCCC3)n1 ZINC000168823679 539544299 /nfs/dbraw/zinc/54/42/99/539544299.db2.gz DIASLQZLARPKOD-UHFFFAOYSA-N 0 0 329.404 2.117 40 0 EEABRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(C(=O)C(C)C)CC2)c1C ZINC000044871752 213655075 /nfs/dbraw/zinc/65/50/75/213655075.db2.gz ZXNGLIDSMJPLNE-CQSZACIVSA-N 0 0 347.459 2.206 40 0 EEABRN CO[C@H](C(=O)Nc1cc(Br)c[nH]c1=O)c1ccccc1 ZINC000067941511 215253926 /nfs/dbraw/zinc/25/39/26/215253926.db2.gz YCMZFYHQIVSSHQ-LBPRGKRZSA-N 0 0 337.173 2.464 40 0 EEABRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 ZINC000103628700 219318602 /nfs/dbraw/zinc/31/86/02/219318602.db2.gz WSCWNLBNEYADCN-CKEIUWERSA-N 0 0 338.356 2.072 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000040515618 213331528 /nfs/dbraw/zinc/33/15/28/213331528.db2.gz ZGTJHCJLXJXENE-ZDUSSCGKSA-N 0 0 345.399 2.282 40 0 EEABRN Cc1ccc(-c2cnc(CCC(=O)NCC(=O)NC3CC3)o2)cc1C ZINC000040488901 213317774 /nfs/dbraw/zinc/31/77/74/213317774.db2.gz RCXRPEWZSQWFSB-UHFFFAOYSA-N 0 0 341.411 2.286 40 0 EEABRN Cn1ncc(CNC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000685939085 539988743 /nfs/dbraw/zinc/98/87/43/539988743.db2.gz ZGWQDLALXUCMIO-LBPRGKRZSA-N 0 0 335.358 2.183 40 0 EEABRN Fc1cccnc1O[C@H]1CCOC2(CN(Cc3ccccn3)C2)C1 ZINC000247557189 283032429 /nfs/dbraw/zinc/03/24/29/283032429.db2.gz XQQAPKLMUDYAIX-HNNXBMFYSA-N 0 0 329.375 2.428 40 0 EEABRN C[C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000038581946 213216717 /nfs/dbraw/zinc/21/67/17/213216717.db2.gz URECFMLYXNGWIZ-HIFRSBDPSA-N 0 0 339.461 2.093 40 0 EEABRN O=S(=O)([N-]c1ccc(CC[NH+]2CCCCCC2)cc1)c1nc[nH]n1 ZINC000036741445 213116011 /nfs/dbraw/zinc/11/60/11/213116011.db2.gz XEPUGIBMYGWZFN-UHFFFAOYSA-N 0 0 349.460 2.024 40 0 EEABRN CCc1c(C)nn(C)c1NC(=O)COc1ccc2nsnc2c1 ZINC000036741106 213115872 /nfs/dbraw/zinc/11/58/72/213115872.db2.gz UPIYFEQXZMOWSC-UHFFFAOYSA-N 0 0 331.401 2.313 40 0 EEABRN COc1ncc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cn1 ZINC000036739969 213114434 /nfs/dbraw/zinc/11/44/34/213114434.db2.gz ATBOUJMLUYPENG-HIFRSBDPSA-N 0 0 336.399 2.098 40 0 EEABRN O=C(NCCOc1ncccc1Cl)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000096473498 237060136 /nfs/dbraw/zinc/06/01/36/237060136.db2.gz SBKMIWKRMUTWTC-KBPBESRZSA-N 0 0 349.822 2.403 40 0 EEABRN NS(=O)(=O)Cc1cccc(NC(=O)CCc2cccc(F)c2)c1 ZINC000072056704 216000482 /nfs/dbraw/zinc/00/04/82/216000482.db2.gz XSOZMMBUHOQFIJ-UHFFFAOYSA-N 0 0 336.388 2.186 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000072241322 216079191 /nfs/dbraw/zinc/07/91/91/216079191.db2.gz MDDQNKUFCILQHO-CVEARBPZSA-N 0 0 348.786 2.148 40 0 EEABRN NC(=O)CN1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072361816 216168891 /nfs/dbraw/zinc/16/88/91/216168891.db2.gz BQSQUKIAIFOEIC-UHFFFAOYSA-N 0 0 330.363 2.073 40 0 EEABRN CC(=O)N1CCC[C@H](Cc2ccc(-c3cccc(CO)c3)nn2)C1 ZINC000072365867 216171976 /nfs/dbraw/zinc/17/19/76/216171976.db2.gz SGZWZBIQSYAPFP-OAHLLOKOSA-N 0 0 325.412 2.437 40 0 EEABRN Cn1cc(C(=O)N2CCC[C@H](c3ccc4sc(N)nc4n3)C2)cn1 ZINC000072368548 216174632 /nfs/dbraw/zinc/17/46/32/216174632.db2.gz ALPSHHFEARNFFQ-JTQLQIEISA-N 0 0 342.428 2.027 40 0 EEABRN c1cnc(Nc2nccnc2C2CCN(c3ncccn3)CC2)nc1 ZINC000072368942 216175794 /nfs/dbraw/zinc/17/57/94/216175794.db2.gz MYAVIARNAWOVCV-UHFFFAOYSA-N 0 0 334.387 2.184 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccco1)c1ccco1 ZINC000107747470 219805460 /nfs/dbraw/zinc/80/54/60/219805460.db2.gz MISXUPRCZWPXAB-YSVLISHTSA-N 0 0 330.384 2.282 40 0 EEABRN CS(=O)(=O)N1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372058 216177502 /nfs/dbraw/zinc/17/75/02/216177502.db2.gz MXUROWQSXCZUOM-ZDUSSCGKSA-N 0 0 333.417 2.102 40 0 EEABRN Cn1c2ccccc2nc(CCC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1=O ZINC000072405907 216196785 /nfs/dbraw/zinc/19/67/85/216196785.db2.gz GQBMFRYQSKTZOK-ILXRZTDVSA-N 0 0 337.423 2.195 40 0 EEABRN O=C1NCCN(CC2CCC3(CC2)OCCO3)[C@H]1c1ccccc1 ZINC000190298598 238369844 /nfs/dbraw/zinc/36/98/44/238369844.db2.gz LWUOLFWEFNUFHY-KRWDZBQOSA-N 0 0 330.428 2.093 40 0 EEABRN CC(C)c1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)n[nH]1 ZINC000073305531 216374946 /nfs/dbraw/zinc/37/49/46/216374946.db2.gz PNELWKZOWZTBHB-UHFFFAOYSA-N 0 0 329.404 2.286 40 0 EEABRN COC(=O)[C@]1(Cc2ccccc2)NCCc2cc(OC)c(OC)cc21 ZINC000024717793 212435780 /nfs/dbraw/zinc/43/57/80/212435780.db2.gz YPTVRLCNHDIUFQ-HXUWFJFHSA-N 0 0 341.407 2.461 40 0 EEABRN CC(=O)NC(C)(C)c1noc(-c2cncn2-c2ccc(F)cc2)n1 ZINC000193204576 240059449 /nfs/dbraw/zinc/05/94/49/240059449.db2.gz XIHWZKRMBIFIET-UHFFFAOYSA-N 0 0 329.335 2.433 40 0 EEABRN O=S(=O)(CCc1ccc2c(c1)CCO2)NCCc1ccsc1 ZINC000193421193 240158699 /nfs/dbraw/zinc/15/86/99/240158699.db2.gz QEBNLUGBBTWBPF-UHFFFAOYSA-N 0 0 337.466 2.388 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218596555 241332868 /nfs/dbraw/zinc/33/28/68/241332868.db2.gz NIFZYICKKJILOA-KCQAQPDRSA-N 0 0 345.461 2.035 40 0 EEABRN CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2F)CC1 ZINC000223108672 241602142 /nfs/dbraw/zinc/60/21/42/241602142.db2.gz UQPHDPAKSRYXFR-UHFFFAOYSA-N 0 0 328.771 2.322 40 0 EEABRN COc1ccccc1CNC(=O)Cn1ccc(=O)c2cc(F)ccc21 ZINC000225752380 242018758 /nfs/dbraw/zinc/01/87/58/242018758.db2.gz DMMCHYQCDYBGTJ-UHFFFAOYSA-N 0 0 340.354 2.466 40 0 EEABRN C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCCc1ccccn1 ZINC000227150216 242121128 /nfs/dbraw/zinc/12/11/28/242121128.db2.gz KJCQADXWWWBSFZ-OAHLLOKOSA-N 0 0 336.395 2.394 40 0 EEABRN Cn1nccc1N1CCC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC000240444192 242969875 /nfs/dbraw/zinc/96/98/75/242969875.db2.gz FWMAFSPALWPPIF-LLVKDONJSA-N 0 0 338.864 2.463 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000020768454 212170483 /nfs/dbraw/zinc/17/04/83/212170483.db2.gz FSTBEZQFXMMIJE-UHFFFAOYSA-N 0 0 336.388 2.006 40 0 EEABRN CCc1nn2c(nnc(C(=O)OCCOC)c2C)c1-c1ccccc1 ZINC000020797781 212172703 /nfs/dbraw/zinc/17/27/03/212172703.db2.gz DDIRPDHBCXRGFY-UHFFFAOYSA-N 0 0 340.383 2.465 40 0 EEABRN O=C(CCCn1cc(COc2ccccc2)nn1)Nc1nncs1 ZINC000252500868 243823778 /nfs/dbraw/zinc/82/37/78/243823778.db2.gz TXCWQFMGQRWQMK-UHFFFAOYSA-N 0 0 344.400 2.128 40 0 EEABRN C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1CC1CCCC1 ZINC000253591712 244028702 /nfs/dbraw/zinc/02/87/02/244028702.db2.gz PPYHLZKAIVFJAH-OAHLLOKOSA-N 0 0 328.460 2.391 40 0 EEABRN Cc1ccc(CC(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)s1 ZINC000257219286 244177525 /nfs/dbraw/zinc/17/75/25/244177525.db2.gz DGHVAMFGRVRBDP-JFIYKMOQSA-N 0 0 346.452 2.423 40 0 EEABRN Cc1ncc(CN2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)cn1 ZINC000257223865 244193796 /nfs/dbraw/zinc/19/37/96/244193796.db2.gz DZGYXGHUMZQIBI-GOSISDBHSA-N 0 0 341.459 2.080 40 0 EEABRN Cc1ccc(OCC(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000257236284 244228501 /nfs/dbraw/zinc/22/85/01/244228501.db2.gz HBMBQRWBXIXJFU-LPHOPBHVSA-N 0 0 330.428 2.424 40 0 EEABRN Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1 ZINC000257248351 244262805 /nfs/dbraw/zinc/26/28/05/244262805.db2.gz JDHBMKVXZSHQKZ-QZTJIDSGSA-N 0 0 327.380 2.317 40 0 EEABRN O=C(CN1CCCCCC1=O)N1CCC[C@H](Cc2ccccn2)C1 ZINC000257252868 244272878 /nfs/dbraw/zinc/27/28/78/244272878.db2.gz JWKUZQGUHNJUDP-MRXNPFEDSA-N 0 0 329.444 2.265 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 ZINC000257266489 244364884 /nfs/dbraw/zinc/36/48/84/244364884.db2.gz MDFNUHHUVXKZCG-CQSZACIVSA-N 0 0 346.456 2.339 40 0 EEABRN COC(=O)c1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937263 212088029 /nfs/dbraw/zinc/08/80/29/212088029.db2.gz XYNBBOGGEDEUMV-UHFFFAOYSA-N 0 0 349.346 2.476 40 0 EEABRN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 ZINC000019936562 212087347 /nfs/dbraw/zinc/08/73/47/212087347.db2.gz ZKHXHSQHWYTZJG-UHFFFAOYSA-N 0 0 340.307 2.211 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 ZINC000257309849 244487786 /nfs/dbraw/zinc/48/77/86/244487786.db2.gz UCQCUACFOBSOMI-CQSZACIVSA-N 0 0 343.431 2.078 40 0 EEABRN COCC(=O)N1CCC2(C[C@@H](N(C)c3ccc(C)cc3)CO2)CC1 ZINC000257331297 244548880 /nfs/dbraw/zinc/54/88/80/244548880.db2.gz XSFOMUGZISXYKB-QGZVFWFLSA-N 0 0 332.444 2.228 40 0 EEABRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCS(=O)CC1 ZINC000096420782 296145826 /nfs/dbraw/zinc/14/58/26/296145826.db2.gz BPMCPUHDNHZHRV-NEPJUHHUSA-N 0 0 347.358 2.280 40 0 EEABRN CCN(CC)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019526507 212038495 /nfs/dbraw/zinc/03/84/95/212038495.db2.gz LCIQWEDKVGLQGW-GFCCVEGCSA-N 0 0 344.390 2.276 40 0 EEABRN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Cl)cc1F ZINC000077939845 217004088 /nfs/dbraw/zinc/00/40/88/217004088.db2.gz RGROYKTVZAUOIO-NOZJJQNGSA-N 0 0 328.771 2.085 40 0 EEABRN CC(=O)Nc1nc(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)cs1 ZINC000078393902 217045825 /nfs/dbraw/zinc/04/58/25/217045825.db2.gz FYAZWARMTSSYCQ-UHFFFAOYSA-N 0 0 347.396 2.495 40 0 EEABRN CC(C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019085436 211999772 /nfs/dbraw/zinc/99/97/72/211999772.db2.gz REOAKXZINATBCV-SDDRHHMPSA-N 0 0 327.379 2.163 40 0 EEABRN O=C(NCCOc1ccc(F)c(F)c1)NCc1nc(C2CC2)no1 ZINC000078605081 217085227 /nfs/dbraw/zinc/08/52/27/217085227.db2.gz RRCSGMGJBIMFFS-UHFFFAOYSA-N 0 0 338.314 2.103 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@@H]2CCCCN2Cc2ccncc2)c1 ZINC000078611424 217086325 /nfs/dbraw/zinc/08/63/25/217086325.db2.gz VVFIAFSTBGNXRM-SFHVURJKSA-N 0 0 341.459 2.148 40 0 EEABRN Cc1nn(C)c(=O)c(C(=O)NCCOc2ccccc2C(C)C)c1C ZINC000078881513 217137596 /nfs/dbraw/zinc/13/75/96/217137596.db2.gz LKHJEUGBYHDHAX-UHFFFAOYSA-N 0 0 343.427 2.329 40 0 EEABRN O=C(NCC[S@](=O)c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000078914663 217147600 /nfs/dbraw/zinc/14/76/00/217147600.db2.gz LULZIMKHJDKFEX-XMMPIXPASA-N 0 0 343.452 2.219 40 0 EEABRN C[S@@](=O)c1nncn1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000078995741 217168467 /nfs/dbraw/zinc/16/84/67/217168467.db2.gz KERJFSOVVCXNCO-FQEVSTJZSA-N 0 0 330.200 2.018 40 0 EEABRN CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000016638491 211923084 /nfs/dbraw/zinc/92/30/84/211923084.db2.gz BBXBFIQIBYVUHC-UHFFFAOYSA-N 0 0 342.461 2.012 40 0 EEABRN CNC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)ccc1F ZINC000079044917 217180871 /nfs/dbraw/zinc/18/08/71/217180871.db2.gz WFYOWDNZOGMYDX-QGZVFWFLSA-N 0 0 343.402 2.297 40 0 EEABRN Cc1ccsc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000079359464 217214714 /nfs/dbraw/zinc/21/47/14/217214714.db2.gz PRTMMJHAGHPBPR-CZUORRHYSA-N 0 0 346.456 2.016 40 0 EEABRN Cn1cc([C@@H]2[C@@H](C(=O)NCCC3=CCCCC3)CCC(=O)N2C)cn1 ZINC000079359182 217214865 /nfs/dbraw/zinc/21/48/65/217214865.db2.gz PJSGQLXNXKHFNY-FUHWJXTLSA-N 0 0 344.459 2.336 40 0 EEABRN C[C@H](Nc1ccc2nnnn2n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080233687 217290509 /nfs/dbraw/zinc/29/05/09/217290509.db2.gz AYAIGEQXLXKRIV-QMMMGPOBSA-N 0 0 342.750 2.396 40 0 EEABRN O=S(=O)(Cc1ccon1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080278633 217293657 /nfs/dbraw/zinc/29/36/57/217293657.db2.gz JDMXMMUFCZDODX-GFCCVEGCSA-N 0 0 341.820 2.026 40 0 EEABRN O=C(c1cncnc1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012337499 211351438 /nfs/dbraw/zinc/35/14/38/211351438.db2.gz GAGIRIYEVXUJQK-UHFFFAOYSA-N 0 0 325.368 2.061 40 0 EEABRN Cc1ccn(CCNC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)n1 ZINC000012199072 211319152 /nfs/dbraw/zinc/31/91/52/211319152.db2.gz HOPREKFTPMIPCZ-QGZVFWFLSA-N 0 0 330.363 2.030 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3oncc3-c3cnccn3)CC2)on1 ZINC000012120898 211300257 /nfs/dbraw/zinc/30/02/57/211300257.db2.gz KIDIVBIWKCRNAO-UHFFFAOYSA-N 0 0 339.355 2.448 40 0 EEABRN COc1ccc(CC(=O)N[C@@H](C)c2nc(-c3cccnc3)n[nH]2)cc1 ZINC000012114734 211294922 /nfs/dbraw/zinc/29/49/22/211294922.db2.gz BJSHSTWQCRAKMA-LBPRGKRZSA-N 0 0 337.383 2.295 40 0 EEABRN COc1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1 ZINC000012114586 211294004 /nfs/dbraw/zinc/29/40/04/211294004.db2.gz JGKBVZLHWGCEFF-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN Cc1cc2c(s1)c1cnn(CC(=O)NC(C)(C)C)c(=O)c1n2C ZINC000012113550 211293511 /nfs/dbraw/zinc/29/35/11/211293511.db2.gz VXWAZWOGNILOGO-UHFFFAOYSA-N 0 0 332.429 2.173 40 0 EEABRN O=C(NCCCN1CCCC1=O)c1ncoc1-c1ccc(F)cc1 ZINC000012145506 211306524 /nfs/dbraw/zinc/30/65/24/211306524.db2.gz XILMORQJSUBGOC-UHFFFAOYSA-N 0 0 331.347 2.223 40 0 EEABRN CC(C)n1c2nc(-c3cccc(Cl)c3)nc(C(N)=O)c2[nH]c1=O ZINC000012145941 211305931 /nfs/dbraw/zinc/30/59/31/211305931.db2.gz UIXCTJZVHHCNKX-UHFFFAOYSA-N 0 0 331.763 2.120 40 0 EEABRN O=C(c1ccco1)N1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158326 284720390 /nfs/dbraw/zinc/72/03/90/284720390.db2.gz OPCFFTRTNKPZKP-KRWDZBQOSA-N 0 0 330.363 2.341 40 0 EEABRN CCOC(=O)c1nnc2c(-c3ccccc3OC)c(CC)nn2c1N ZINC000009287648 211061845 /nfs/dbraw/zinc/06/18/45/211061845.db2.gz UPOYXKOOHYUCPU-UHFFFAOYSA-N 0 0 341.371 2.121 40 0 EEABRN CCc1cc(NC(=O)C(=O)N2C[C@H](c3ccsc3)C[C@@H]2C)n(C)n1 ZINC000095401124 218335386 /nfs/dbraw/zinc/33/53/86/218335386.db2.gz IVBGPQHXGPAFQU-WCQYABFASA-N 0 0 346.456 2.387 40 0 EEABRN O=C(NCCCCn1ccnc1)N1CCN(c2cccs2)CC1 ZINC000095411175 218348474 /nfs/dbraw/zinc/34/84/74/218348474.db2.gz QBIJIBRHKILPRD-UHFFFAOYSA-N 0 0 333.461 2.257 40 0 EEABRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCS(=O)(=O)N(C)C ZINC000095451416 218395713 /nfs/dbraw/zinc/39/57/13/218395713.db2.gz AZEVBUDIQLXWBE-LBPRGKRZSA-N 0 0 338.429 2.234 40 0 EEABRN O=C(Cc1ccccn1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039865 218521799 /nfs/dbraw/zinc/52/17/99/218521799.db2.gz PYSVFNIGDZUPSF-AZUAARDMSA-N 0 0 344.455 2.448 40 0 EEABRN COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)[nH]c1C ZINC000096068805 218565711 /nfs/dbraw/zinc/56/57/11/218565711.db2.gz NZKLCJGQIWNJIW-INIZCTEOSA-N 0 0 343.431 2.019 40 0 EEABRN Cc1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096083796 218583113 /nfs/dbraw/zinc/58/31/13/218583113.db2.gz TZQAVJZGSFLLLA-INIZCTEOSA-N 0 0 337.423 2.416 40 0 EEABRN C[C@]1(C(=O)NCCCn2cccn2)CC(c2cccc(F)c2)=NO1 ZINC000096193048 218661902 /nfs/dbraw/zinc/66/19/02/218661902.db2.gz ZNEBYJMLNRVUQN-QGZVFWFLSA-N 0 0 330.363 2.112 40 0 EEABRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cc1csc(C(C)(C)C)n1 ZINC000096412817 218769957 /nfs/dbraw/zinc/76/99/57/218769957.db2.gz UEZPBVWOHGKADF-QWRGUYRKSA-N 0 0 344.502 2.017 40 0 EEABRN CN(C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccn1 ZINC000096418240 218781317 /nfs/dbraw/zinc/78/13/17/218781317.db2.gz BGVMMZXGXMNBBH-UHFFFAOYSA-N 0 0 340.351 2.283 40 0 EEABRN O=S(=O)(CCOc1ccc(F)cc1)Nc1cnn(CC(F)F)c1 ZINC000096426116 218795677 /nfs/dbraw/zinc/79/56/77/218795677.db2.gz IBFIJSKLBUYZDI-UHFFFAOYSA-N 0 0 349.334 2.108 40 0 EEABRN C[C@@H](NS(=O)(=O)CC1CCOCC1)c1csc(C2CC2)n1 ZINC000096428002 218800804 /nfs/dbraw/zinc/80/08/04/218800804.db2.gz QRTSLVIYZBEDRC-SNVBAGLBSA-N 0 0 330.475 2.428 40 0 EEABRN NC(=O)N1CCC[C@H]1COC(=O)c1ccc(F)cc1Br ZINC000096442225 218823950 /nfs/dbraw/zinc/82/39/50/218823950.db2.gz DIUBJXYMCQMKTB-VIFPVBQESA-N 0 0 345.168 2.288 40 0 EEABRN Cn1cc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000096452178 218835798 /nfs/dbraw/zinc/83/57/98/218835798.db2.gz NWNXDMIGKNLGPE-UHFFFAOYSA-N 0 0 333.358 2.206 40 0 EEABRN Cc1oc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C ZINC000096460878 218843119 /nfs/dbraw/zinc/84/31/19/218843119.db2.gz AIQCOQQSCZZLGX-UHFFFAOYSA-N 0 0 344.339 2.369 40 0 EEABRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)C(F)(F)c1ccccc1 ZINC000097100986 218953730 /nfs/dbraw/zinc/95/37/30/218953730.db2.gz ZWXOPPXDOLUWMJ-UHFFFAOYSA-N 0 0 333.400 2.450 40 0 EEABRN COc1c(Br)cncc1S(=O)(=O)N1CCCCCC1 ZINC000072210888 257690300 /nfs/dbraw/zinc/69/03/00/257690300.db2.gz FKSVMDMWIFNQBE-UHFFFAOYSA-N 0 0 349.250 2.417 40 0 EEABRN COc1cccc([C@@]2(O)CC(C)=NN2C(=O)[C@H](O)c2ccccc2)c1 ZINC000408562797 257896539 /nfs/dbraw/zinc/89/65/39/257896539.db2.gz CKYAUFLFIKPPPE-MJGOQNOKSA-N 0 0 340.379 2.182 40 0 EEABRN CN(C)c1noc(CNCc2c(F)cccc2OC(F)(F)F)n1 ZINC000330032135 258002683 /nfs/dbraw/zinc/00/26/83/258002683.db2.gz ISZUPWMWZZLUPX-UHFFFAOYSA-N 0 0 334.273 2.463 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cncc(O)c1 ZINC000013226889 292026372 /nfs/dbraw/zinc/02/63/72/292026372.db2.gz SXRAZELAQNGPGS-DOMZBBRYSA-N 0 0 335.367 2.040 40 0 EEABRN Cc1ccc(N2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)nn1 ZINC000096038460 292137386 /nfs/dbraw/zinc/13/73/86/292137386.db2.gz WHSALFVUOKYOQZ-QGZVFWFLSA-N 0 0 328.395 2.211 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072354741 292176752 /nfs/dbraw/zinc/17/67/52/292176752.db2.gz RLEMAGXOUPLXBD-AWEZNQCLSA-N 0 0 330.363 2.175 40 0 EEABRN CCS(=O)(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096058711 286668462 /nfs/dbraw/zinc/66/84/62/286668462.db2.gz OSXZPUXXWUCURO-UHFFFAOYSA-N 0 0 335.404 2.033 40 0 EEABRN Cc1cc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2C)c(C)o1 ZINC000289274398 275107111 /nfs/dbraw/zinc/10/71/11/275107111.db2.gz AIGFKRXANOEYST-UHFFFAOYSA-N 0 0 343.431 2.141 40 0 EEABRN CC(C)C(=O)N[C@H]1CCCc2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc21 ZINC000012241093 275559318 /nfs/dbraw/zinc/55/93/18/275559318.db2.gz JSPMMDLZCAPVPU-GUTXKFCHSA-N 0 0 332.448 2.240 40 0 EEABRN CN1Cc2ccccc2CC2(CCN(C(=O)c3ccc[nH]3)CC2)C1=O ZINC000096161315 276988828 /nfs/dbraw/zinc/98/88/28/276988828.db2.gz ZOYABKSRMCVGDD-UHFFFAOYSA-N 0 0 337.423 2.452 40 0 EEABRN CC(C)(C)n1cc2c(n1)[C@H]1CN(C(=O)c3cnccn3)C[C@H]1CC2 ZINC000019084889 277285163 /nfs/dbraw/zinc/28/51/63/277285163.db2.gz KSECFWWHBAZEJZ-OCCSQVGLSA-N 0 0 325.416 2.230 40 0 EEABRN COc1ccccc1N1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC000225558069 278052151 /nfs/dbraw/zinc/05/21/51/278052151.db2.gz FVHJQXARAMCJPW-GFCCVEGCSA-N 0 0 332.429 2.254 40 0 EEABRN Cn1c2ccc(S(=O)(=O)N3CCCCCC3)cc2sc1=O ZINC000075433437 294183176 /nfs/dbraw/zinc/18/31/76/294183176.db2.gz CWUNQTXDSXQPJW-UHFFFAOYSA-N 0 0 326.443 2.165 40 0 EEABRN Cn1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nn1 ZINC000331626012 311881661 /nfs/dbraw/zinc/88/16/61/311881661.db2.gz PCCXDPRHJNOLSF-BXUZGUMPSA-N 0 0 326.322 2.142 40 0 EEABRN O=C(c1ccc2c(c1O)CCCC2)N1CCNC[C@H]1c1ccncc1 ZINC000333334441 312131849 /nfs/dbraw/zinc/13/18/49/312131849.db2.gz WUOYTDRLOOEZRT-SFHVURJKSA-N 0 0 337.423 2.453 40 0 EEABRN Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CCO1 ZINC000333962529 312220453 /nfs/dbraw/zinc/22/04/53/312220453.db2.gz NAODBINXKPWPJR-GUYCJALGSA-N 0 0 328.416 2.277 40 0 EEABRN CCCn1ncc(C(=O)N2CCc3nc(C)ncc3C2)c1C1CC1 ZINC000534287583 317937204 /nfs/dbraw/zinc/93/72/04/317937204.db2.gz WRPTZIJJSVWXAM-UHFFFAOYSA-N 0 0 325.416 2.467 40 0 EEABRN CNC(=O)[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C(=O)OC ZINC000565786128 319214532 /nfs/dbraw/zinc/21/45/32/319214532.db2.gz KCABMIGMFDWHOQ-PSASIEDQSA-N 0 0 345.321 2.214 40 0 EEABRN COc1sc(CN2C[C@@H](CO)OC[C@H]2C)cc1Br ZINC000092041590 323320258 /nfs/dbraw/zinc/32/02/58/323320258.db2.gz JYQASHHXDIYOMW-BDAKNGLRSA-N 0 0 336.251 2.101 40 0 EEABRN NC(=O)c1csc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)c1 ZINC000097372945 323322309 /nfs/dbraw/zinc/32/23/09/323322309.db2.gz GZBJNINWXSBVHI-AWEZNQCLSA-N 0 0 349.843 2.174 40 0 EEABRN C[C@H]1CCCCCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000390835126 323545635 /nfs/dbraw/zinc/54/56/35/323545635.db2.gz DHWQREOXFWKLBC-LBPRGKRZSA-N 0 0 340.449 2.128 40 0 EEABRN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000252487196 464965685 /nfs/dbraw/zinc/96/56/85/464965685.db2.gz ULAHCMOCNLTYAH-AIXCCZOISA-N 0 0 346.537 2.409 40 0 EEABRN COc1ccc(CN2CCOC[C@H](Oc3cccc(C)n3)C2)cn1 ZINC000085435946 462548112 /nfs/dbraw/zinc/54/81/12/462548112.db2.gz DZFWGGDBXKPWRK-MRXNPFEDSA-N 0 0 329.400 2.073 40 0 biogenic,in-vitro EEABRN CC(C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000801523 462573995 /nfs/dbraw/zinc/57/39/95/462573995.db2.gz MWGWWYDTWSGWPL-AWEZNQCLSA-N 0 0 344.864 2.265 40 0 EEABRN O=S(=O)(N[C@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001083944 462576661 /nfs/dbraw/zinc/57/66/61/462576661.db2.gz XWQGLADYHNQVGZ-SSDOTTSWSA-N 0 0 339.027 2.307 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)[C@@H](C)O2 ZINC000001362219 462579990 /nfs/dbraw/zinc/57/99/90/462579990.db2.gz QWPWONQYZXXYPL-GFCCVEGCSA-N 0 0 330.409 2.487 40 0 EEABRN Cc1ccc(S(=O)(=O)N/N=c2\ccc3ccccc3n2C)cc1 ZINC000001568426 462584247 /nfs/dbraw/zinc/58/42/47/462584247.db2.gz KPOPIMMEXQBEHV-ISLYRVAYSA-N 0 0 327.409 2.281 40 0 EEABRN C[C@@H]1CN(c2ncc3c(=O)n(-c4cccc(F)c4)cc-3[nH]2)C[C@@H](C)O1 ZINC000046087667 462645964 /nfs/dbraw/zinc/64/59/64/462645964.db2.gz GHDOPXRLPPXALW-VXGBXAGGSA-N 0 0 342.374 2.390 40 0 EEABRN CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1N ZINC000005580779 462663788 /nfs/dbraw/zinc/66/37/88/462663788.db2.gz FZSSPQASEYSMPT-UHFFFAOYSA-N 0 0 325.825 2.247 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000006199815 462679997 /nfs/dbraw/zinc/67/99/97/462679997.db2.gz VVZRFMPUMLJMEX-XEZPLFJOSA-N 0 0 333.384 2.065 40 0 EEABRN COCCC[NH2+][C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000006579824 462690957 /nfs/dbraw/zinc/69/09/57/462690957.db2.gz BZFSOZPBJUVDAX-LBPRGKRZSA-N 0 0 349.214 2.401 40 0 EEABRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000006961919 462713560 /nfs/dbraw/zinc/71/35/60/462713560.db2.gz SSXXIEKSTXFGJV-VGOFMYFVSA-N 0 0 339.351 2.345 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000007077714 462720359 /nfs/dbraw/zinc/72/03/59/462720359.db2.gz OSCXSRRGCUEZCD-LBPRGKRZSA-N 0 0 342.461 2.057 40 0 EEABRN CCc1ccc([C@@H](COC)NC2=NS(=O)(=O)c3ccccc32)o1 ZINC000075491030 462722712 /nfs/dbraw/zinc/72/27/12/462722712.db2.gz RZTBSMBFYYVGSN-CYBMUJFWSA-N 0 0 334.397 2.268 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)N1CCc2ccc(Cl)cc2C1 ZINC000090610919 462802419 /nfs/dbraw/zinc/80/24/19/462802419.db2.gz PXBFQRXTUBCMHF-UHFFFAOYSA-N 0 0 345.834 2.188 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)on1 ZINC000012669214 462862412 /nfs/dbraw/zinc/86/24/12/462862412.db2.gz QKRLWEQVXNELET-UHFFFAOYSA-N 0 0 339.355 2.448 40 0 EEABRN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)ccc1F ZINC000076556550 462877733 /nfs/dbraw/zinc/87/77/33/462877733.db2.gz SEGLORBHDCIHPS-UHFFFAOYSA-N 0 0 348.359 2.461 40 0 EEABRN O=C(c1ccncc1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000013268174 462888868 /nfs/dbraw/zinc/88/88/68/462888868.db2.gz HXAOREROJLPUMS-UHFFFAOYSA-N 0 0 336.395 2.099 40 0 EEABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000013632867 462898787 /nfs/dbraw/zinc/89/87/87/462898787.db2.gz JYJTUKYUHLNWJP-UHFFFAOYSA-N 0 0 344.436 2.448 40 0 EEABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1c(F)cccc1F ZINC000013688877 462899229 /nfs/dbraw/zinc/89/92/29/462899229.db2.gz GEFXCZPIXMVHDC-PHIMTYICSA-N 0 0 334.322 2.245 40 0 EEABRN CC[C@H](C(=O)NC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013715999 462901865 /nfs/dbraw/zinc/90/18/65/462901865.db2.gz UNLIYZDQYIYYGY-OAHLLOKOSA-N 0 0 326.462 2.373 40 0 EEABRN Cc1nn(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)c(C)c1C ZINC000019557199 463019855 /nfs/dbraw/zinc/01/98/55/463019855.db2.gz MOMQWYIPMOVIFP-QGZVFWFLSA-N 0 0 341.459 2.236 40 0 EEABRN COCCC(=O)N1[C@@H](c2ccc(OC)cc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713928 463020168 /nfs/dbraw/zinc/02/01/68/463020168.db2.gz IGENLNLNPDFBBK-GVDBMIGSSA-N 0 0 346.427 2.042 40 0 EEABRN O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCCCCCC1 ZINC000077718432 463030446 /nfs/dbraw/zinc/03/04/46/463030446.db2.gz BMPWCIJQVXPIID-UHFFFAOYSA-N 0 0 345.378 2.138 40 0 EEABRN CCCC[C@H](COC)NC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000077784107 463046554 /nfs/dbraw/zinc/04/65/54/463046554.db2.gz OYUVCGDJFITENZ-SECBINFHSA-N 0 0 332.322 2.364 40 0 EEABRN Cc1cccc2c(CCNC(=O)N3CCOC[C@@H]3C[C@@H](C)O)c[nH]c21 ZINC000135313086 463142310 /nfs/dbraw/zinc/14/23/10/463142310.db2.gz XUHCPSHUMYBKME-ZBFHGGJFSA-N 0 0 345.443 2.200 40 0 EEABRN C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000025903327 463143379 /nfs/dbraw/zinc/14/33/79/463143379.db2.gz YRIROFAITVPQLW-WCQYABFASA-N 0 0 344.864 2.189 40 0 EEABRN CN(C)C(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC000096040140 463144867 /nfs/dbraw/zinc/14/48/67/463144867.db2.gz LXFSTGCCVDJKHY-SJLPKXTDSA-N 0 0 333.432 2.151 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042282 463147575 /nfs/dbraw/zinc/14/75/75/463147575.db2.gz UGDSIFLYVSDXQL-GRDNDAEWSA-N 0 0 343.383 2.137 40 0 EEABRN CCn1ncc2c1CN(S(=O)(=O)c1ccccc1C)C[C@@H]2COC ZINC000096044587 463149379 /nfs/dbraw/zinc/14/93/79/463149379.db2.gz AOPDJEJMDIDISY-CQSZACIVSA-N 0 0 349.456 2.146 40 0 EEABRN O=C(c1ccnnc1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC000096045854 463149716 /nfs/dbraw/zinc/14/97/16/463149716.db2.gz VBSIOLKFNFOCMM-AEGPPILISA-N 0 0 342.424 2.413 40 0 EEABRN COC[C@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2nnn(CC3CC3)c21 ZINC000096045611 463150510 /nfs/dbraw/zinc/15/05/10/463150510.db2.gz WWJZDHXUTWIBND-DZGCQCFKSA-N 0 0 330.432 2.117 40 0 EEABRN Cc1oncc1C(=O)N1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046156 463150800 /nfs/dbraw/zinc/15/08/00/463150800.db2.gz QVJGRCGYYOHNIV-APHBMKBZSA-N 0 0 328.372 2.074 40 0 EEABRN Cc1nnc(N2CCC[C@@]3(CN(Cc4ccsc4)CCO3)C2)o1 ZINC000096049192 463152483 /nfs/dbraw/zinc/15/24/83/463152483.db2.gz DQTWMSYNJGGWIE-MRXNPFEDSA-N 0 0 334.445 2.311 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1ccccc1 ZINC000096061582 463161167 /nfs/dbraw/zinc/16/11/67/463161167.db2.gz ULVFOJCSCOGQTJ-ZWKOTPCHSA-N 0 0 344.411 2.472 40 0 EEABRN Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@H]2C)o1 ZINC000096062067 463161536 /nfs/dbraw/zinc/16/15/36/463161536.db2.gz FSTWHVFQXAOODL-CYBMUJFWSA-N 0 0 325.372 2.246 40 0 EEABRN Cc1nc(C)n(C[C@@H]2Cn3ccnc3CN(Cc3ccoc3)C2)n1 ZINC000096067144 463164833 /nfs/dbraw/zinc/16/48/33/463164833.db2.gz JXAYHVDAQFGLRX-INIZCTEOSA-N 0 0 326.404 2.017 40 0 EEABRN CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)OCO2 ZINC000096066757 463164981 /nfs/dbraw/zinc/16/49/81/463164981.db2.gz WRDKEEZJPADQTL-HNNXBMFYSA-N 0 0 329.400 2.285 40 0 EEABRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(N)=O ZINC000026744230 463170136 /nfs/dbraw/zinc/17/01/36/463170136.db2.gz HVSZATBYNPTPHS-GFCCVEGCSA-N 0 0 330.409 2.234 40 0 EEABRN O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108836 463176900 /nfs/dbraw/zinc/17/69/00/463176900.db2.gz QXWRWZKFMXDLAM-XLIONFOSSA-N 0 0 338.407 2.178 40 0 EEABRN Cn1nccc1C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC000096109386 463178396 /nfs/dbraw/zinc/17/83/96/463178396.db2.gz APQIVTALVBGSKI-KDOFPFPSSA-N 0 0 326.400 2.136 40 0 EEABRN CC1(C)c2cc(Cl)ccc2N(CC(=O)NC[C@H]2CCCO2)C1=O ZINC000096181608 463194636 /nfs/dbraw/zinc/19/46/36/463194636.db2.gz KOPQJNYBJRTPHN-GFCCVEGCSA-N 0 0 336.819 2.259 40 0 EEABRN COc1ccccc1NC(=O)COCc1nc(-c2ccncc2)no1 ZINC000096182027 463194660 /nfs/dbraw/zinc/19/46/60/463194660.db2.gz KRCSEGUSIKURQB-UHFFFAOYSA-N 0 0 340.339 2.296 40 0 EEABRN O=C(c1ccncc1F)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187915 463198735 /nfs/dbraw/zinc/19/87/35/463198735.db2.gz GVFRTRDDQXHXPL-CQSZACIVSA-N 0 0 344.390 2.116 40 0 EEABRN CN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2 ZINC000096197095 463203191 /nfs/dbraw/zinc/20/31/91/463203191.db2.gz IFIXZOGQUJMGMB-UHFFFAOYSA-N 0 0 342.443 2.293 40 0 EEABRN Cn1nnc2c1[C@@H](COCc1ccccc1)CN(C(=O)C1CCC1)C2 ZINC000096198613 463204370 /nfs/dbraw/zinc/20/43/70/463204370.db2.gz VNGIJQKHLACJMZ-MRXNPFEDSA-N 0 0 340.427 2.258 40 0 EEABRN CO[C@H]1CCN(C(=O)NCc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200607 463205918 /nfs/dbraw/zinc/20/59/18/463205918.db2.gz VAZYMUQQTLCERK-IRXDYDNUSA-N 0 0 346.406 2.101 40 0 EEABRN c1csc(CN2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)n1 ZINC000096208495 463212041 /nfs/dbraw/zinc/21/20/41/463212041.db2.gz CRAQAFUXQYOUGO-MGPQQGTHSA-N 0 0 346.456 2.483 40 0 EEABRN CN(C)C(=O)N1CCC2(CO[C@@H](COCc3ccccn3)C2)CC1 ZINC000096209489 463213401 /nfs/dbraw/zinc/21/34/01/463213401.db2.gz DIZZRLJYYUUQPL-MRXNPFEDSA-N 0 0 333.432 2.151 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](Cc4nnc(C)o4)OC[C@H]3C2)s1 ZINC000096209775 463214254 /nfs/dbraw/zinc/21/42/54/463214254.db2.gz SOBMASBPHZKGEG-MGPQQGTHSA-N 0 0 347.440 2.468 40 0 EEABRN Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]3O2)n1 ZINC000096218886 463216658 /nfs/dbraw/zinc/21/66/58/463216658.db2.gz OYJNMURGROSVBI-BQMDAMGRSA-N 0 0 345.424 2.311 40 0 EEABRN Cc1occc1C(=O)N1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000096219123 463216771 /nfs/dbraw/zinc/21/67/71/463216771.db2.gz WZPFTCBPGYXEIY-KDOFPFPSSA-N 0 0 327.384 2.469 40 0 EEABRN O=C(C1CCC1)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 ZINC000096220022 463217986 /nfs/dbraw/zinc/21/79/86/463217986.db2.gz OWLYUIXXBYDPDV-HNNXBMFYSA-N 0 0 342.399 2.382 40 0 EEABRN CC(C)(C)C(=O)N1CCC2(C[C@H](NC(=O)c3ccccn3)CO2)CC1 ZINC000096221201 463218090 /nfs/dbraw/zinc/21/80/90/463218090.db2.gz SVVOJQWLXWFBRH-AWEZNQCLSA-N 0 0 345.443 2.008 40 0 EEABRN CC(C)NC(=O)[C@H]1CCC2(CCN(Cc3nccs3)CC2)CO1 ZINC000096224913 463221246 /nfs/dbraw/zinc/22/12/46/463221246.db2.gz HLIMDXRKHXOMJT-CQSZACIVSA-N 0 0 337.489 2.429 40 0 EEABRN O=C(C1CCC1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239754 463224529 /nfs/dbraw/zinc/22/45/29/463224529.db2.gz AXMKPYRHYDTCAG-MRXNPFEDSA-N 0 0 336.386 2.341 40 0 EEABRN O=C(CCn1ccccc1=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407375 463240823 /nfs/dbraw/zinc/24/08/23/463240823.db2.gz QSPMPYQUWXGDMZ-INIZCTEOSA-N 0 0 343.402 2.163 40 0 EEABRN Cc1ccccc1CN(C)C(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000096410718 463243743 /nfs/dbraw/zinc/24/37/43/463243743.db2.gz UZKCXOLGWAXYOR-QGZVFWFLSA-N 0 0 329.448 2.173 40 0 EEABRN O=C(/C=C/c1cccnc1)N1CCN(c2nncc3ccccc32)CC1 ZINC000096418520 463250212 /nfs/dbraw/zinc/25/02/12/463250212.db2.gz FNUFHMYFBFCBRQ-BQYQJAHWSA-N 0 0 345.406 2.387 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)[C@H]2CCO[C@@H]21 ZINC000096421398 463252800 /nfs/dbraw/zinc/25/28/00/463252800.db2.gz OBJDPALTEJRCNP-ZACQAIPSSA-N 0 0 340.427 2.485 40 0 EEABRN CCCc1cc(NC(=O)c2cc(N3CCNC3=O)c(F)cc2F)n[nH]1 ZINC000096426471 463255763 /nfs/dbraw/zinc/25/57/63/463255763.db2.gz ICKLUUCXACEHFK-UHFFFAOYSA-N 0 0 349.341 2.422 40 0 EEABRN C[C@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccncc1 ZINC000096426147 463256068 /nfs/dbraw/zinc/25/60/68/463256068.db2.gz YXWHUDLRHDRAHZ-KSSFIOAISA-N 0 0 343.402 2.471 40 0 EEABRN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1coc2ccccc12 ZINC000096432207 463261028 /nfs/dbraw/zinc/26/10/28/463261028.db2.gz QRJAFRLPIZTHAY-LLVKDONJSA-N 0 0 345.380 2.241 40 0 EEABRN Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c(=O)[nH]1 ZINC000096432781 463261270 /nfs/dbraw/zinc/26/12/70/463261270.db2.gz FYJFGPASKIDLJY-SNVBAGLBSA-N 0 0 342.330 2.363 40 0 EEABRN O=C(Nc1ccn(Cc2ccccn2)n1)N1CCO[C@@H]2CCC[C@H]21 ZINC000096435047 463263161 /nfs/dbraw/zinc/26/31/61/463263161.db2.gz BZJRQFFNVBJZMP-HUUCEWRRSA-N 0 0 327.388 2.112 40 0 EEABRN Cn1cc(COC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)cn1 ZINC000096441850 463266943 /nfs/dbraw/zinc/26/69/43/463266943.db2.gz DIVYMEMMZAIXLG-UHFFFAOYSA-N 0 0 329.400 2.439 40 0 EEABRN C[C@H](C(=O)Nc1c(F)cc(Br)cc1F)S(C)(=O)=O ZINC000096443145 463268507 /nfs/dbraw/zinc/26/85/07/463268507.db2.gz YIATWUWGXPOLEN-RXMQYKEDSA-N 0 0 342.161 2.099 40 0 EEABRN NC(=O)CN(CCC1CCCCC1)C(=O)c1ccc2n[nH]cc2c1 ZINC000096445260 463269684 /nfs/dbraw/zinc/26/96/84/463269684.db2.gz ZLAYCKCVJZGSKZ-UHFFFAOYSA-N 0 0 328.416 2.461 40 0 EEABRN O=C(NCCNc1ncnc2ccccc21)[C@@H]1OCCc2ccccc21 ZINC000096483417 463282542 /nfs/dbraw/zinc/28/25/42/463282542.db2.gz GMGAGMSLPNKFHW-GOSISDBHSA-N 0 0 348.406 2.472 40 0 EEABRN CN(C[C@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486712 463284914 /nfs/dbraw/zinc/28/49/14/463284914.db2.gz WJWRUEHCUVIAMN-KGLIPLIRSA-N 0 0 341.249 2.476 40 0 EEABRN Cc1noc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000096489598 463284972 /nfs/dbraw/zinc/28/49/72/463284972.db2.gz SYQGUBNSFPLNOV-UHFFFAOYSA-N 0 0 338.415 2.086 40 0 EEABRN COCC(=O)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000096489650 463286733 /nfs/dbraw/zinc/28/67/33/463286733.db2.gz JFGLBOHWAOFKCK-UHFFFAOYSA-N 0 0 334.313 2.135 40 0 EEABRN C[C@@H](NCc1nc(C2CC2)no1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491985 463287753 /nfs/dbraw/zinc/28/77/53/463287753.db2.gz MLROMZFTSCQLPN-SECBINFHSA-N 0 0 339.392 2.340 40 0 EEABRN O=c1c2ccncc2ncn1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000096500462 463289834 /nfs/dbraw/zinc/28/98/34/463289834.db2.gz MKGJBLPJFNLFJA-LBPRGKRZSA-N 0 0 349.312 2.414 40 0 EEABRN Cc1cccn2cc(CCNC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)nc12 ZINC000097378435 463357655 /nfs/dbraw/zinc/35/76/55/463357655.db2.gz SGTJVLHQNQQVNM-NVXWUHKLSA-N 0 0 342.443 2.442 40 0 EEABRN CCN1C[C@H](COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1=O ZINC000097380194 463358223 /nfs/dbraw/zinc/35/82/23/463358223.db2.gz QAXXXLYUKFRSMG-LLVKDONJSA-N 0 0 331.347 2.241 40 0 EEABRN Cc1nnsc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070962930 463397561 /nfs/dbraw/zinc/39/75/61/463397561.db2.gz NJDCZJWEEVAVFE-SNVBAGLBSA-N 0 0 331.319 2.329 40 0 EEABRN CCCc1nnc2sc(NC(=O)c3cc(OC)cc(OC)c3)nn12 ZINC000041076402 463465868 /nfs/dbraw/zinc/46/58/68/463465868.db2.gz AHAWAKDFPAJNAA-UHFFFAOYSA-N 0 0 347.400 2.408 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccccc1F ZINC000057355083 463480876 /nfs/dbraw/zinc/48/08/76/463480876.db2.gz BOUUJIHMHKDMSE-RVSPLBMKSA-N 0 0 334.391 2.030 40 0 EEABRN O=C(c1cnc(C2CC2)s1)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000081764364 463489530 /nfs/dbraw/zinc/48/95/30/463489530.db2.gz MTVUITHXSIXIMQ-UHFFFAOYSA-N 0 0 349.847 2.426 40 0 EEABRN CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000041779753 463507806 /nfs/dbraw/zinc/50/78/06/463507806.db2.gz UNEGTYSPJWPRLU-CYBMUJFWSA-N 0 0 348.424 2.391 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000072395369 463509181 /nfs/dbraw/zinc/50/91/81/463509181.db2.gz WIXFAUDAHMIAAV-OUAUKWLOSA-N 0 0 335.358 2.424 40 0 EEABRN CN1N=C(C(=O)OCc2ccccc2Br)CCC1=O ZINC000057733482 463514222 /nfs/dbraw/zinc/51/42/22/463514222.db2.gz LXGRXGXDEXVUQR-UHFFFAOYSA-N 0 0 325.162 2.101 40 0 EEABRN CC1(C)CN(C(=O)NCc2ccnc(-n3ccnc3)c2)CCS1 ZINC000083716517 463556030 /nfs/dbraw/zinc/55/60/30/463556030.db2.gz HKHYDYPHKUITEY-UHFFFAOYSA-N 0 0 331.445 2.304 40 0 EEABRN Cc1cccc(C)c1OCCNC(=O)C(=O)NCCc1ccccc1 ZINC000059417394 463643403 /nfs/dbraw/zinc/64/34/03/463643403.db2.gz KKUVGDSCBLXECS-UHFFFAOYSA-N 0 0 340.423 2.157 40 0 EEABRN COCCn1c(SCc2nccn2C)nnc1-c1ccncc1 ZINC000059962439 463646225 /nfs/dbraw/zinc/64/62/25/463646225.db2.gz UDCPZSRKNHVZSK-UHFFFAOYSA-N 0 0 330.417 2.012 40 0 EEABRN O=C(NCc1nnc2n1CCC2)Nc1ccccc1OC(F)(F)F ZINC000043879120 463661054 /nfs/dbraw/zinc/66/10/54/463661054.db2.gz VUXSKMJMZJJNKD-UHFFFAOYSA-N 0 0 341.293 2.445 40 0 EEABRN CCOc1cc2ccccc2cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000044873574 463697907 /nfs/dbraw/zinc/69/79/07/463697907.db2.gz LWXVKDJPAVSPQY-HNNXBMFYSA-N 0 0 347.436 2.498 40 0 EEABRN Cc1cc([C@H]2CCCCN2C(=O)CCn2ccnc2)nc2ccnn21 ZINC000257215794 463756382 /nfs/dbraw/zinc/75/63/82/463756382.db2.gz CRRPJXSLKGUDAA-MRXNPFEDSA-N 0 0 338.415 2.378 40 0 EEABRN Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccccn2)[C@H]1O ZINC000257294436 463765901 /nfs/dbraw/zinc/76/59/01/463765901.db2.gz QUDCTEIDFDJUNZ-BRWVUGGUSA-N 0 0 328.416 2.203 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)nc(C)n1 ZINC000257294459 463766086 /nfs/dbraw/zinc/76/60/86/463766086.db2.gz QUGXJUKJOHZHOC-KRWDZBQOSA-N 0 0 337.383 2.183 40 0 EEABRN c1c[nH]c(CN2CCC[C@@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303280 463770340 /nfs/dbraw/zinc/77/03/40/463770340.db2.gz SGNSKOYJWPTHDA-CYBMUJFWSA-N 0 0 336.403 2.113 40 0 EEABRN Cc1ccnc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257303627 463770502 /nfs/dbraw/zinc/77/05/02/463770502.db2.gz SHZHOVJAWPXICG-MRXNPFEDSA-N 0 0 327.384 2.154 40 0 EEABRN CN(C(=O)c1csc(Cc2ccccc2)n1)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257308042 463772026 /nfs/dbraw/zinc/77/20/26/463772026.db2.gz TVEJFQDXPXAWCW-BFYDXBDKSA-N 0 0 346.452 2.080 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)on1 ZINC000257317192 463774830 /nfs/dbraw/zinc/77/48/30/463774830.db2.gz VISRWUWHVWPRTL-MRXNPFEDSA-N 0 0 342.399 2.245 40 0 EEABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1cccc2c1CCCC2 ZINC000257318793 463775812 /nfs/dbraw/zinc/77/58/12/463775812.db2.gz VPKHWQYJYOHXSN-ICSRJNTNSA-N 0 0 344.455 2.120 40 0 EEABRN Nc1nc2nc(C3CCN(C(=O)C4CCOCC4)CC3)ccc2s1 ZINC000257319611 463775948 /nfs/dbraw/zinc/77/59/48/463775948.db2.gz VTGSOBNPIRNGJM-UHFFFAOYSA-N 0 0 346.456 2.406 40 0 EEABRN CCOC(=O)N[C@H]1[C@H](O)[C@@H]2C[C@@H](c3ccccc3)CC[C@H]2O[C@H]1OC ZINC000257346003 463789392 /nfs/dbraw/zinc/78/93/92/463789392.db2.gz OGNXEDDZAJYKJV-PYTCMNEWSA-N 0 0 349.427 2.417 40 0 EEABRN CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000260905846 463792797 /nfs/dbraw/zinc/79/27/97/463792797.db2.gz SXMUPOKLRXTWSU-HIFRSBDPSA-N 0 0 326.462 2.392 40 0 EEABRN O=C(CS(=O)(=O)c1ccccn1)N[C@@H](c1ccccc1)C1CC1 ZINC000195001782 463973335 /nfs/dbraw/zinc/97/33/35/463973335.db2.gz YCDALJAPTFBQEF-KRWDZBQOSA-N 0 0 330.409 2.123 40 0 EEABRN CO[C@@H](C)CS(=O)(=O)NCc1ccc(F)cc1Br ZINC000195131269 463999019 /nfs/dbraw/zinc/99/90/19/463999019.db2.gz BRGIQUNFNUXZBS-QMMMGPOBSA-N 0 0 340.214 2.043 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)NC2Cc3ccccc3C2)c1 ZINC000186579092 464026536 /nfs/dbraw/zinc/02/65/36/464026536.db2.gz WUNCDKIDFDOXOP-UHFFFAOYSA-N 0 0 337.423 2.055 40 0 EEABRN O=C(NCCc1cc(Br)ccc1F)[C@@]1(O)CCSC1 ZINC000195547640 464074953 /nfs/dbraw/zinc/07/49/53/464074953.db2.gz PXPJNINZNKWRIG-CYBMUJFWSA-N 0 0 348.237 2.115 40 0 EEABRN CN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccnc2ccccc12 ZINC000195562534 464077509 /nfs/dbraw/zinc/07/75/09/464077509.db2.gz YRUKRUQFANASEC-CYBMUJFWSA-N 0 0 327.306 2.299 40 0 EEABRN Cc1nc2ccccc2n1CCC(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000195567438 464078971 /nfs/dbraw/zinc/07/89/71/464078971.db2.gz NAMFQRGKWBBLET-UHFFFAOYSA-N 0 0 337.387 2.292 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(COC)C(N)=S ZINC000218515114 464109004 /nfs/dbraw/zinc/10/90/04/464109004.db2.gz GYJOMULQFNGHQJ-OUCADQQQSA-N 0 0 347.889 2.159 40 0 EEABRN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)N(C)C(C)C ZINC000269877043 464118269 /nfs/dbraw/zinc/11/82/69/464118269.db2.gz XCLCLHZSKFRPHU-UHFFFAOYSA-N 0 0 335.404 2.182 40 0 EEABRN CC(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1 ZINC000223320104 464141130 /nfs/dbraw/zinc/14/11/30/464141130.db2.gz DGYWHMYZHMANIT-UHFFFAOYSA-N 0 0 346.364 2.433 40 0 EEABRN O=C(C[C@@H]1CCOc2ccccc21)N1CCN(Cc2ccon2)CC1 ZINC000172799371 464144425 /nfs/dbraw/zinc/14/44/25/464144425.db2.gz IERBZBLGVGMKJI-HNNXBMFYSA-N 0 0 341.411 2.275 40 0 EEABRN COc1ccccc1NC(=O)NCc1nccc(N2CCCC2)n1 ZINC000224153773 464148207 /nfs/dbraw/zinc/14/82/07/464148207.db2.gz MNUHWPZRIKIORO-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Cc1ccccc1 ZINC000224300321 464149771 /nfs/dbraw/zinc/14/97/71/464149771.db2.gz PEOUBPVRQCUWFV-UHFFFAOYSA-N 0 0 326.400 2.111 40 0 EEABRN Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1C ZINC000224202469 464150142 /nfs/dbraw/zinc/15/01/42/464150142.db2.gz BFJVIVZIPZFCCQ-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN Cc1ccccc1C(=O)Nc1c(C)nc(N2CCOCC2)nc1C ZINC000224298893 464150268 /nfs/dbraw/zinc/15/02/68/464150268.db2.gz KLTIPRBBVNUIFX-UHFFFAOYSA-N 0 0 326.400 2.491 40 0 EEABRN COC[C@@H](C)NC(=O)c1ccc(C)cc1I ZINC000225027783 464153075 /nfs/dbraw/zinc/15/30/75/464153075.db2.gz MJUJWPUMGLPJJZ-SECBINFHSA-N 0 0 333.169 2.364 40 0 EEABRN Cc1cc(C)cc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225191265 464153998 /nfs/dbraw/zinc/15/39/98/464153998.db2.gz HFPAWRWTUWTZFK-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225191202 464154301 /nfs/dbraw/zinc/15/43/01/464154301.db2.gz FRVODTNLHJWGBE-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN CSc1cccc(C)c1NC(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000225478834 464163196 /nfs/dbraw/zinc/16/31/96/464163196.db2.gz VCZAYYWCIKAILC-NSHDSACASA-N 0 0 333.417 2.440 40 0 EEABRN Cc1cnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000225491405 464165151 /nfs/dbraw/zinc/16/51/51/464165151.db2.gz OCZSSYBZPJJTMO-OCCSQVGLSA-N 0 0 340.265 2.309 40 0 EEABRN COc1ccnc(Cn2c(=O)onc2-c2ccccc2C)c1OC ZINC000225586589 464173310 /nfs/dbraw/zinc/17/33/10/464173310.db2.gz DHQVLQRIKPNYQV-UHFFFAOYSA-N 0 0 327.340 2.272 40 0 EEABRN COc1ccc(Br)c(C(=O)NCCc2cncnc2)c1 ZINC000225589591 464173392 /nfs/dbraw/zinc/17/33/92/464173392.db2.gz SELTXVUDWZLNLI-UHFFFAOYSA-N 0 0 336.189 2.220 40 0 EEABRN CCOc1ccc(S(=O)(=O)NCc2cnn3c2CCCC3)cc1C ZINC000225613115 464175771 /nfs/dbraw/zinc/17/57/71/464175771.db2.gz MBTFUHGENIKQGB-UHFFFAOYSA-N 0 0 349.456 2.405 40 0 EEABRN CCn1ncnc1CN(C)[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000225616160 464176160 /nfs/dbraw/zinc/17/61/60/464176160.db2.gz AGOSAFMBJCBXCR-FUHWJXTLSA-N 0 0 343.475 2.019 40 0 EEABRN COc1cccc([C@@H]2[C@@H](NS(=O)(=O)C3CC3)CCN2C2CC2)c1 ZINC000179906102 464206886 /nfs/dbraw/zinc/20/68/86/464206886.db2.gz WKCHHSJXAMGUDD-DLBZAZTESA-N 0 0 336.457 2.055 40 0 EEABRN CCn1cc(C(=O)Nc2nnc3n2CCCC3)c(C(F)(F)F)n1 ZINC000239722331 464444264 /nfs/dbraw/zinc/44/42/64/464444264.db2.gz CCDMBOYFHGZBLK-UHFFFAOYSA-N 0 0 328.298 2.102 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)co1 ZINC000240333229 464446913 /nfs/dbraw/zinc/44/69/13/464446913.db2.gz FCJRRPSVNRJWFA-MRXNPFEDSA-N 0 0 326.396 2.409 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)CCN1c2ccccc2CC[C@H]1C ZINC000245289915 464469596 /nfs/dbraw/zinc/46/95/96/464469596.db2.gz GAFDXIDHLVPNBB-HUUCEWRRSA-N 0 0 327.432 2.014 40 0 EEABRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@@]2(C)CCCC[C@H]2O)C1 ZINC000245339297 464471377 /nfs/dbraw/zinc/47/13/77/464471377.db2.gz RUPZVZKITUDNRY-QMTMVMCOSA-N 0 0 338.492 2.329 40 0 EEABRN COC(=O)Cc1cccc(NC(=O)C[C@H]2OCCc3ccccc32)n1 ZINC000190109390 464598261 /nfs/dbraw/zinc/59/82/61/464598261.db2.gz ZNJGAWGYAJRQBM-MRXNPFEDSA-N 0 0 340.379 2.440 40 0 EEABRN Fc1cnc(N2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)nc1 ZINC000247503556 464686367 /nfs/dbraw/zinc/68/63/67/464686367.db2.gz GFWPNOKNGOSUED-CQSZACIVSA-N 0 0 339.436 2.123 40 0 EEABRN O=C(NCc1cccs1)[C@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000247505895 464687709 /nfs/dbraw/zinc/68/77/09/464687709.db2.gz RMLPWMWQZWPASU-MRXNPFEDSA-N 0 0 342.424 2.411 40 0 EEABRN CCOC[C@@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 ZINC000247919733 464715120 /nfs/dbraw/zinc/71/51/20/464715120.db2.gz XDNGLHCDHLRNQN-INIZCTEOSA-N 0 0 347.390 2.193 40 0 EEABRN Cc1ncsc1CN1Cc2cccn2C[C@H](C(=O)NC(C)C)C1 ZINC000248009234 464722251 /nfs/dbraw/zinc/72/22/51/464722251.db2.gz FUZYLJCVEAJPDY-CQSZACIVSA-N 0 0 332.473 2.410 40 0 EEABRN Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1 ZINC000248053106 464727347 /nfs/dbraw/zinc/72/73/47/464727347.db2.gz TTXUYZIJMFHSTE-MRXNPFEDSA-N 0 0 344.415 2.411 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)CCc2cccn2C)C[C@@H]1C ZINC000190879910 464737852 /nfs/dbraw/zinc/73/78/52/464737852.db2.gz NHRIUZOCQBOARB-OFQRWUPVSA-N 0 0 335.448 2.187 40 0 EEABRN COC(=O)c1ccc(NC(=O)N2CCC=C(F)C2)cc1C(=O)OC ZINC000274564213 464747928 /nfs/dbraw/zinc/74/79/28/464747928.db2.gz CZJFKWIIBWESRR-UHFFFAOYSA-N 0 0 336.319 2.351 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@H](C)c3cccs3)c2C)no1 ZINC000252498218 464971534 /nfs/dbraw/zinc/97/15/34/464971534.db2.gz QWZRBONTHQRCLV-MRVPVSSYSA-N 0 0 347.404 2.270 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)C[C@@H](C)O1 ZINC000252506402 464974000 /nfs/dbraw/zinc/97/40/00/464974000.db2.gz SKZIIOCBFKNQSF-FAELENHSSA-N 0 0 348.418 2.371 40 0 EEABRN COC(=O)[C@H](Sc1nnnn1Cc1ccco1)c1ccsc1 ZINC000252507998 464974064 /nfs/dbraw/zinc/97/40/64/464974064.db2.gz WZSOBXBOJGJEFK-LLVKDONJSA-N 0 0 336.398 2.382 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000252570803 464983140 /nfs/dbraw/zinc/98/31/40/464983140.db2.gz XGTDYKOHKSAMBO-YPMHNXCESA-N 0 0 333.400 2.194 40 0 EEABRN CC(C)(C)c1nnc2ccc(N3CC(O)(c4ccc(F)cc4)C3)nn21 ZINC000192788322 464997280 /nfs/dbraw/zinc/99/72/80/464997280.db2.gz JUYAEWQGRKFTRM-UHFFFAOYSA-N 0 0 341.390 2.269 40 0 EEABRN COC(=O)c1cn([C@H]2CCCN(C(=O)c3ccoc3C3CC3)C2)nn1 ZINC000253395964 465000098 /nfs/dbraw/zinc/00/00/98/465000098.db2.gz WHBZIVJZJXZILW-LBPRGKRZSA-N 0 0 344.371 2.012 40 0 EEABRN Cc1nc2c(c(N3CCC[C@H]([C@H](O)c4nccn4C)C3)n1)CCCC2 ZINC000253425703 465010312 /nfs/dbraw/zinc/01/03/12/465010312.db2.gz BOWGPBZPOLJZER-YOEHRIQHSA-N 0 0 341.459 2.347 40 0 EEABRN O=C1C[C@H](NS(=O)(=O)C2CCCCC2)CN1c1ccccc1F ZINC000329628484 465391513 /nfs/dbraw/zinc/39/15/13/465391513.db2.gz PVAOHVALTTVQHF-LBPRGKRZSA-N 0 0 340.420 2.183 40 0 EEABRN Oc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000301157451 465911730 /nfs/dbraw/zinc/91/17/30/465911730.db2.gz DLEWGNBVRNCJSF-UHFFFAOYSA-N 0 0 325.416 2.109 40 0 EEABRN CC(C)n1nccc1[C@@H]1CN(C(=O)C2CC2)C[C@]12CCCN(C)C2=O ZINC000306127589 466489603 /nfs/dbraw/zinc/48/96/03/466489603.db2.gz GCXNGMXHPZBZAF-HNAYVOBHSA-N 0 0 344.459 2.038 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@H](Oc3ncccn3)C2)o1 ZINC000306143369 466494642 /nfs/dbraw/zinc/49/46/42/466494642.db2.gz YAIMSROKSCNEPG-MRXNPFEDSA-N 0 0 325.372 2.038 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)c1F ZINC000390829245 467412407 /nfs/dbraw/zinc/41/24/07/467412407.db2.gz XRRAYOITVKDVLB-GFCCVEGCSA-N 0 0 335.404 2.462 40 0 EEABRN Cc1cc(NC(=O)Nc2cn[nH]c2)ccc1-n1nnnc1C(C)C ZINC000390833934 467414452 /nfs/dbraw/zinc/41/44/52/467414452.db2.gz PCTYTHVPULHZGM-UHFFFAOYSA-N 0 0 326.364 2.461 40 0 EEABRN O=C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ncccc2N1 ZINC000390834384 467414665 /nfs/dbraw/zinc/41/46/65/467414665.db2.gz XTIYPRJZRNFVBN-UHFFFAOYSA-N 0 0 343.408 2.108 40 0 EEABRN CC(C)c1nc2cc(NC(=O)CCCn3cnnn3)ccc2n1C ZINC000524733122 467639580 /nfs/dbraw/zinc/63/95/80/467639580.db2.gz WPMQXJNMDOMZOU-UHFFFAOYSA-N 0 0 327.392 2.102 40 0 EEABRN O=C(C1CC(F)C1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 ZINC000575404898 468141443 /nfs/dbraw/zinc/14/14/43/468141443.db2.gz FOFBWAGKFBPKPF-ZBCRRDGASA-N 0 0 329.375 2.421 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CCCC2)C1 ZINC000575403762 468141953 /nfs/dbraw/zinc/14/19/53/468141953.db2.gz JRXLXTPIMBJQQG-INIZCTEOSA-N 0 0 332.448 2.261 40 0 EEABRN Cc1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422786 468143437 /nfs/dbraw/zinc/14/34/37/468143437.db2.gz WLZKROGEWHPAKK-OALUTQOASA-N 0 0 345.464 2.155 40 0 EEABRN O=C(NCc1cccs1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575606032 468146153 /nfs/dbraw/zinc/14/61/53/468146153.db2.gz CJWKCENJPAASOK-UHFFFAOYSA-N 0 0 343.456 2.447 40 0 EEABRN Cc1ncccc1C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000575607480 468147064 /nfs/dbraw/zinc/14/70/64/468147064.db2.gz NKIXECMRDGXDAY-KRWDZBQOSA-N 0 0 344.436 2.392 40 0 EEABRN O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575609016 468147633 /nfs/dbraw/zinc/14/76/33/468147633.db2.gz RHUWZHFVNCXBCQ-UHFFFAOYSA-N 0 0 339.399 2.182 40 0 EEABRN Cc1cc(F)ccc1C(=O)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093081 468962702 /nfs/dbraw/zinc/96/27/02/468962702.db2.gz ANHOZWRAJLNNPQ-HNNXBMFYSA-N 0 0 326.318 2.122 40 0 EEABRN O=C(c1ccnc2ccccc21)N1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093223 468963115 /nfs/dbraw/zinc/96/31/15/468963115.db2.gz JXBOMMLBHMEJJS-KRWDZBQOSA-N 0 0 345.349 2.222 40 0 EEABRN Cc1cnc(OC[C@H]2CCn3nccc3CN2Cc2ccco2)nc1 ZINC000585097092 468965205 /nfs/dbraw/zinc/96/52/05/468965205.db2.gz HKRMZDWCZOJJHH-MRXNPFEDSA-N 0 0 339.399 2.428 40 0 EEABRN COCCOc1cccc(C(=O)N2CCC[C@@H]2c2ncccn2)c1 ZINC000585140525 468989047 /nfs/dbraw/zinc/98/90/47/468989047.db2.gz GULKHTIJPNIDPQ-MRXNPFEDSA-N 0 0 327.384 2.479 40 0 EEABRN COC(=O)c1ncc(NC(=O)N(C)C[C@@H]2CCCOC2)cc1Cl ZINC000585140513 468989064 /nfs/dbraw/zinc/98/90/64/468989064.db2.gz GMGVVFRITTTXDP-JTQLQIEISA-N 0 0 341.795 2.412 40 0 EEABRN O=C(Nc1ccccc1C(F)(F)F)NC(CO)(CO)C(F)(F)F ZINC000585141734 468992014 /nfs/dbraw/zinc/99/20/14/468992014.db2.gz ZMROQWILYIHFAQ-UHFFFAOYSA-N 0 0 346.227 2.113 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(c3ccncn3)C2)n1 ZINC000585177431 468993545 /nfs/dbraw/zinc/99/35/45/468993545.db2.gz DJENYZTUBMMRFQ-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN CO[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H]1CC(=O)N(C)C ZINC000585278576 469004645 /nfs/dbraw/zinc/00/46/45/469004645.db2.gz PFUPITQOJORQOJ-JQWIXIFHSA-N 0 0 331.338 2.030 40 0 EEABRN Cc1n[nH]cc1C(=O)NC[C@H]1CCC[C@@H](Oc2ccc(C)cc2)[C@@H]1O ZINC000585284177 469007691 /nfs/dbraw/zinc/00/76/91/469007691.db2.gz FUZSYEFTSIWQRA-ZTFGCOKTSA-N 0 0 343.427 2.365 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3cnn(C)c3)[C@H]2O)cc1 ZINC000585283781 469008403 /nfs/dbraw/zinc/00/84/03/469008403.db2.gz DPPCEUKTRPODRG-ZTFGCOKTSA-N 0 0 343.427 2.067 40 0 EEABRN O=C(/C=C/c1ccco1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585288005 469009380 /nfs/dbraw/zinc/00/93/80/469009380.db2.gz LZFDYDLCXXLMPP-QNRJXKNMSA-N 0 0 339.391 2.439 40 0 EEABRN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)[C@H](c2ccccc2)CO1 ZINC000679445115 485697626 /nfs/dbraw/zinc/69/76/26/485697626.db2.gz OYVZKVWRVMIGQS-CJNGLKHVSA-N 0 0 326.400 2.145 40 0 EEABRN Cc1ccn2c(c1)nc(O)c(C(=O)NCCCc1ccccc1)c2=O ZINC000164577814 534348691 /nfs/dbraw/zinc/34/86/91/534348691.db2.gz LCMYMSQSHVKDOV-UHFFFAOYSA-N 0 0 337.379 2.071 40 0 EEABRN O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000153895933 534789086 /nfs/dbraw/zinc/78/90/86/534789086.db2.gz CZUAAGZOSYMSTQ-MLHJIOFPSA-N 0 0 344.455 2.237 40 0 EEABRN Cn1nnnc1COc1ccc(Br)cc1Br ZINC000390833298 527657885 /nfs/dbraw/zinc/65/78/85/527657885.db2.gz FUBKRHHHMUESOY-UHFFFAOYSA-N 0 0 347.998 2.314 40 0 EEABRN O[C@@H](COc1ccccc1Cl)CN1CCN(c2ccccn2)CC1 ZINC000022574588 527662168 /nfs/dbraw/zinc/66/21/68/527662168.db2.gz BPQGVGUVQRMDHL-OAHLLOKOSA-N 0 0 347.846 2.297 40 0 EEABRN CC(C)Oc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1 ZINC000225952799 535012584 /nfs/dbraw/zinc/01/25/84/535012584.db2.gz WWYFGBVQHIPFKB-INIZCTEOSA-N 0 0 340.445 2.226 40 0 EEABRN CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1cc(C)ccc1C ZINC000225932244 535771654 /nfs/dbraw/zinc/77/16/54/535771654.db2.gz YSTDOJMUKHSTSL-UHFFFAOYSA-N 0 0 340.489 2.476 40 0 EEABRN CN(C)Cc1ccnc([C@H]2CN(CCc3ccccc3)CCO2)n1 ZINC000257229228 536052101 /nfs/dbraw/zinc/05/21/01/536052101.db2.gz FXGVSKZIPHZWGY-GOSISDBHSA-N 0 0 326.444 2.154 40 0 EEABRN COc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C ZINC000223031815 536608311 /nfs/dbraw/zinc/60/83/11/536608311.db2.gz WDTCTMLIPXBZSH-ZIAGYGMSSA-N 0 0 327.446 2.236 40 0 EEABRN COCC1(C(=O)NCCNc2ccc(C(F)(F)F)cn2)CCC1 ZINC000225809917 536811587 /nfs/dbraw/zinc/81/15/87/536811587.db2.gz IFQUAECDRHXULA-UHFFFAOYSA-N 0 0 331.338 2.445 40 0 EEABRN CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nccs1 ZINC000932441528 675323336 /nfs/dbraw/zinc/32/33/36/675323336.db2.gz ZTJVQWVKBRMJAH-UHFFFAOYSA-N 0 0 346.334 2.094 40 0 EEABRN O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccccc2Cl)n1 ZINC000027972503 1352373866 /nfs/dbraw/zinc/37/38/66/1352373866.db2.gz NPDJNXAXMIDGRM-LBPRGKRZSA-N 0 0 335.791 2.482 40 0 EEABRN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C[C@H](C)O1 ZINC000004731822 210262172 /nfs/dbraw/zinc/26/21/72/210262172.db2.gz SQPLNUGTNZOHHF-RWMBFGLXSA-N 0 0 336.819 2.329 40 0 EEABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379180 282199375 /nfs/dbraw/zinc/19/93/75/282199375.db2.gz CMFGIYCBBHRECL-HNNXBMFYSA-N 0 0 348.410 2.386 40 0 EEABRN CNC(=O)[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CCO1 ZINC000183503293 529908630 /nfs/dbraw/zinc/90/86/30/529908630.db2.gz ZKMJXSXTLQLWQV-LSDHHAIUSA-N 0 0 338.835 2.053 40 0 EEABRN CN(CC(=O)N(C)C1c2ccccc2-c2ccccc21)S(C)(=O)=O ZINC000081397217 282339267 /nfs/dbraw/zinc/33/92/67/282339267.db2.gz ZVMVIRZDQYNQMX-UHFFFAOYSA-N 0 0 344.436 2.106 40 0 EEABRN Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2cccnc2)C(=O)[O-])cc1C ZINC000004139443 210130953 /nfs/dbraw/zinc/13/09/53/210130953.db2.gz MGWTUZRQVAXALB-MRXNPFEDSA-N 0 0 327.384 2.270 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC000044846566 213652042 /nfs/dbraw/zinc/65/20/42/213652042.db2.gz VTSOGECLORCRIY-AWEZNQCLSA-N 0 0 334.416 2.317 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1C ZINC000223857453 539658226 /nfs/dbraw/zinc/65/82/26/539658226.db2.gz AJISPTIFGCGFBE-UHFFFAOYSA-N 0 0 349.408 2.269 40 0 EEABRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000179647334 233270895 /nfs/dbraw/zinc/27/08/95/233270895.db2.gz OMLFKQHKRIFINM-ZDUSSCGKSA-N 0 0 326.400 2.377 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCCSCC2)c1)[C@@H]1CCCO1 ZINC000040539299 213341958 /nfs/dbraw/zinc/34/19/58/213341958.db2.gz PVJOWRPYHBZNET-HNNXBMFYSA-N 0 0 334.441 2.383 40 0 EEABRN CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000040465607 213308973 /nfs/dbraw/zinc/30/89/73/213308973.db2.gz JRCFCEFZMSHIAY-LIRRHRJNSA-N 0 0 346.427 2.270 40 0 EEABRN O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490759 213238090 /nfs/dbraw/zinc/23/80/90/213238090.db2.gz AIQIZAOEWWVZBX-MRXNPFEDSA-N 0 0 338.407 2.313 40 0 EEABRN CCC(=O)N1CCN(c2c3[nH]c(=NN)sc3ccc2Cl)CC1 ZINC000072230139 216070533 /nfs/dbraw/zinc/07/05/33/216070533.db2.gz FRMKDANVIIFWLZ-UHFFFAOYSA-N 0 0 339.852 2.294 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1F ZINC000072241530 216080167 /nfs/dbraw/zinc/08/01/67/216080167.db2.gz NPDONOZYORSMCQ-JKSUJKDBSA-N 0 0 348.399 2.102 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2ccccc2)[C@H]1c1cccc(F)c1 ZINC000072241684 216080778 /nfs/dbraw/zinc/08/07/78/216080778.db2.gz BLQNTSZMEKEBQX-IAGOWNOFSA-N 0 0 328.343 2.363 40 0 EEABRN COc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000072237939 216076459 /nfs/dbraw/zinc/07/64/59/216076459.db2.gz YPJBLJKUBLDBHS-QZTJIDSGSA-N 0 0 340.379 2.232 40 0 EEABRN Cc1cccc2c1cnn2CCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000072250173 216084066 /nfs/dbraw/zinc/08/40/66/216084066.db2.gz CTEBHHGXUOWJQL-HNNXBMFYSA-N 0 0 342.443 2.252 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360333 216165571 /nfs/dbraw/zinc/16/55/71/216165571.db2.gz ZHTXBGFFMSXUDO-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(c3cnccn3)C2)n1 ZINC000072359992 216165952 /nfs/dbraw/zinc/16/59/52/216165952.db2.gz LROIFWOTIRKCHZ-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN CCc1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339897 216157852 /nfs/dbraw/zinc/15/78/52/216157852.db2.gz ZHOAXTWYESVVSN-UHFFFAOYSA-N 0 0 348.410 2.155 40 0 EEABRN Cc1nccn1-c1cncc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072355379 216164662 /nfs/dbraw/zinc/16/46/62/216164662.db2.gz AZJBHLNEFZMBPN-OAHLLOKOSA-N 0 0 325.416 2.477 40 0 EEABRN COCC(=O)N1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371289 216176773 /nfs/dbraw/zinc/17/67/73/216176773.db2.gz MAGYXNWYJDADLL-ZDUSSCGKSA-N 0 0 347.390 2.133 40 0 EEABRN c1c[nH]c(CN2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378060 216179365 /nfs/dbraw/zinc/17/93/65/216179365.db2.gz YAADORWEBJGNTC-ZDUSSCGKSA-N 0 0 336.403 2.113 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(c3cnccn3)C2)n1 ZINC000072382469 216183322 /nfs/dbraw/zinc/18/33/22/216183322.db2.gz LHBCMBXZUYRZMP-CYBMUJFWSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1cc2c(nc3n(c2=O)CCN(Cc2cccnc2)CC3)s1 ZINC000072397011 216192302 /nfs/dbraw/zinc/19/23/02/216192302.db2.gz LTSJUGMQSPZXHP-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN COc1ccccc1[C@H](NC(=O)[C@H](C)n1cccn1)c1noc(C)n1 ZINC000072696186 216296112 /nfs/dbraw/zinc/29/61/12/216296112.db2.gz WMVLFWDKXIRQPY-NHYWBVRUSA-N 0 0 341.371 2.050 40 0 EEABRN CSCC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108532490 219900858 /nfs/dbraw/zinc/90/08/58/219900858.db2.gz IHWRHGQSLHWJPQ-UHFFFAOYSA-N 0 0 347.484 2.176 40 0 EEABRN COCCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)oc1C)CC2 ZINC000108530660 219901187 /nfs/dbraw/zinc/90/11/87/219901187.db2.gz SRPCCUWORCGLAJ-UHFFFAOYSA-N 0 0 348.443 2.388 40 0 EEABRN COC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598660 241332018 /nfs/dbraw/zinc/33/20/18/241332018.db2.gz BKDRSCVPSOMDNX-FGTMMUONSA-N 0 0 349.427 2.418 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000222826040 241565175 /nfs/dbraw/zinc/56/51/75/241565175.db2.gz QLDPVWOWUVCUMX-HNNXBMFYSA-N 0 0 340.423 2.401 40 0 EEABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 ZINC000223672845 241676933 /nfs/dbraw/zinc/67/69/33/241676933.db2.gz DIICBDKBVLAFOP-HZPDHXFCSA-N 0 0 344.440 2.254 40 0 EEABRN CN(c1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224253120 241741427 /nfs/dbraw/zinc/74/14/27/241741427.db2.gz MVNZRQJCFYLBIO-UHFFFAOYSA-N 0 0 330.409 2.404 40 0 EEABRN CC[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)C(=O)OC ZINC000225608601 241951001 /nfs/dbraw/zinc/95/10/01/241951001.db2.gz WKPLIVOZHFFCTP-VIFPVBQESA-N 0 0 341.820 2.483 40 0 EEABRN CC[C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949842 242079206 /nfs/dbraw/zinc/07/92/06/242079206.db2.gz RWYPPEYYSHVIME-GWCFXTLKSA-N 0 0 332.853 2.235 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)cn2)C1 ZINC000227115801 242122136 /nfs/dbraw/zinc/12/21/36/242122136.db2.gz ZKUSKOGZAOXKED-OAHLLOKOSA-N 0 0 340.427 2.249 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)c(C)c1 ZINC000226069581 242088017 /nfs/dbraw/zinc/08/80/17/242088017.db2.gz BWHQRFJMYIMHDB-UHFFFAOYSA-N 0 0 340.489 2.395 40 0 EEABRN COc1ccc2[nH]c(S[C@H]3CCN(C4CCOCC4)C3=O)nc2c1 ZINC000242339041 243017667 /nfs/dbraw/zinc/01/76/67/243017667.db2.gz ZEKRGLYLTPSFSI-HNNXBMFYSA-N 0 0 347.440 2.444 40 0 EEABRN Cn1cc([C@H](O)CNC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cn1 ZINC000245338861 243104834 /nfs/dbraw/zinc/10/48/34/243104834.db2.gz OYSIESSOYSTUIE-RYQLBKOJSA-N 0 0 342.443 2.164 40 0 EEABRN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC=CCC1 ZINC000076477511 216775512 /nfs/dbraw/zinc/77/55/12/216775512.db2.gz RRCPTQMWSOOFTN-ZIAGYGMSSA-N 0 0 349.456 2.415 40 0 EEABRN CCS[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000076476739 216776282 /nfs/dbraw/zinc/77/62/82/216776282.db2.gz MQFGNVWQBYVIJO-HIFRSBDPSA-N 0 0 338.477 2.176 40 0 EEABRN CSCC(C)(C)C(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000252487440 243785011 /nfs/dbraw/zinc/78/50/11/243785011.db2.gz HWFAPCSMTIVJNJ-HZMBPMFUSA-N 0 0 325.430 2.343 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1Cl ZINC000253473520 243998413 /nfs/dbraw/zinc/99/84/13/243998413.db2.gz VSSHXGLTDBGVAA-UGFHNGPFSA-N 0 0 345.848 2.263 40 0 EEABRN Nc1nnc(SCc2cc(=O)n3c4ccccc4nc3[nH]2)s1 ZINC000253496380 244005040 /nfs/dbraw/zinc/00/50/40/244005040.db2.gz IMIYKGLMWQHCTI-UHFFFAOYSA-N 0 0 330.398 2.314 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000253615428 244040255 /nfs/dbraw/zinc/04/02/55/244040255.db2.gz HWOKTIMHNOZHFN-INIZCTEOSA-N 0 0 337.485 2.482 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 ZINC000257215056 244163939 /nfs/dbraw/zinc/16/39/39/244163939.db2.gz COMBEOQVTRVUSB-GFCCVEGCSA-N 0 0 331.445 2.309 40 0 EEABRN COc1ccc([C@@H]2CN(C(=O)c3c(C)noc3C)CCN2C)cc1 ZINC000257217140 244170944 /nfs/dbraw/zinc/17/09/44/244170944.db2.gz CXRGCKUCRHFGTR-INIZCTEOSA-N 0 0 329.400 2.429 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)c1cnc(C(C)C)nc1 ZINC000257233261 244218647 /nfs/dbraw/zinc/21/86/47/244218647.db2.gz GOMZVUAHRRSKDO-INIZCTEOSA-N 0 0 340.427 2.395 40 0 EEABRN CCn1cc(CN2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257246834 244258481 /nfs/dbraw/zinc/25/84/81/244258481.db2.gz IWAHRQYRMNRDDG-GOSISDBHSA-N 0 0 327.432 2.271 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)s1 ZINC000257237975 244236682 /nfs/dbraw/zinc/23/66/82/244236682.db2.gz HJBMKVRRMRZIEQ-CQSZACIVSA-N 0 0 346.456 2.309 40 0 EEABRN CC(=O)N1CCC(c2nccnc2CNC(=O)c2cccs2)CC1 ZINC000257241006 244242259 /nfs/dbraw/zinc/24/22/59/244242259.db2.gz HWFSYXUEQUXDDF-UHFFFAOYSA-N 0 0 344.440 2.194 40 0 EEABRN Cc1cc(C)nc([C@@]2(C)CCCN2S(=O)(=O)c2cccnc2)n1 ZINC000257245991 244257975 /nfs/dbraw/zinc/25/79/75/244257975.db2.gz IRZIHVNWAVXNGI-MRXNPFEDSA-N 0 0 332.429 2.188 40 0 EEABRN CNc1cnc(C[C@@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1 ZINC000257241110 244243844 /nfs/dbraw/zinc/24/38/44/244243844.db2.gz HWQOBGFDLIIMRQ-OAHLLOKOSA-N 0 0 339.443 2.327 40 0 EEABRN CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)ncn1 ZINC000257251938 244270763 /nfs/dbraw/zinc/27/07/63/244270763.db2.gz JSXKYPWHKCDSCI-ZDUSSCGKSA-N 0 0 332.448 2.054 40 0 EEABRN CC(C)n1nccc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257252281 244272259 /nfs/dbraw/zinc/27/22/59/244272259.db2.gz JUFAEEIFNDDRAH-OAHLLOKOSA-N 0 0 329.404 2.426 40 0 EEABRN CC(=O)N[C@@H](c1nccs1)C1CCN(c2cc(C)ncn2)CC1 ZINC000257253733 244276418 /nfs/dbraw/zinc/27/64/18/244276418.db2.gz KABCGOSUUOBBLA-OAHLLOKOSA-N 0 0 331.445 2.335 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)nc(C)n1 ZINC000257271243 244375694 /nfs/dbraw/zinc/37/56/94/244375694.db2.gz MXMBDTJEJWXZOK-INIZCTEOSA-N 0 0 342.447 2.083 40 0 EEABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCOCC1 ZINC000020040221 212096286 /nfs/dbraw/zinc/09/62/86/212096286.db2.gz RDYFZWGJWZCZCQ-HNNXBMFYSA-N 0 0 340.851 2.336 40 0 EEABRN O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@H](c2ccncc2)C1 ZINC000257273478 244386460 /nfs/dbraw/zinc/38/64/60/244386460.db2.gz NGTDNSVEAUIRJG-SFHVURJKSA-N 0 0 336.347 2.402 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@@H](c3nccc(C)n3)C2)c1 ZINC000257276149 244390481 /nfs/dbraw/zinc/39/04/81/244390481.db2.gz NSNIXMGFRYOQCP-MRXNPFEDSA-N 0 0 327.384 2.145 40 0 EEABRN CC(C)Cc1cc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)on1 ZINC000257288761 244429232 /nfs/dbraw/zinc/42/92/32/244429232.db2.gz PVNFBRHAFCEPLT-INIZCTEOSA-N 0 0 344.415 2.137 40 0 EEABRN COCC(=O)NCCn1nc(-c2cccnc2)cc1-c1cccs1 ZINC000019593023 212050077 /nfs/dbraw/zinc/05/00/77/212050077.db2.gz QLYIPSTZTPFJDH-UHFFFAOYSA-N 0 0 342.424 2.436 40 0 EEABRN COc1ccc2c(c1)C[C@H](C(=O)NCCn1nc(C)c(C)c1C)CO2 ZINC000019557205 212043070 /nfs/dbraw/zinc/04/30/70/212043070.db2.gz LIHBYXVFUQUASH-INIZCTEOSA-N 0 0 343.427 2.184 40 0 EEABRN Cc1nonc1C(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccncc2)C1 ZINC000019558739 212042570 /nfs/dbraw/zinc/04/25/70/212042570.db2.gz RPVCYEBVAZYPJF-CYBMUJFWSA-N 0 0 338.371 2.183 40 0 EEABRN Cc1cc(C)n(-c2ccc(NCCNC(=O)CC3CCCC3)nn2)n1 ZINC000077959817 217007048 /nfs/dbraw/zinc/00/70/48/217007048.db2.gz AORJGUFZNCQXNN-UHFFFAOYSA-N 0 0 342.447 2.388 40 0 EEABRN CCO[C@@H](C)c1noc(CNc2ncc(Br)cn2)n1 ZINC000078459133 217055552 /nfs/dbraw/zinc/05/55/52/217055552.db2.gz JSSRJNVTJOSPMV-ZETCQYMHSA-N 0 0 328.170 2.332 40 0 EEABRN Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000078556374 217076544 /nfs/dbraw/zinc/07/65/44/217076544.db2.gz JWWUBIPOMQMMQX-QLFBSQMISA-N 0 0 339.457 2.101 40 0 EEABRN CN1C[C@H](NC(=O)c2csc(CCc3ccccc3)n2)CCC1=O ZINC000078841255 217133208 /nfs/dbraw/zinc/13/32/08/217133208.db2.gz DMCBPXPTJSZZFX-CQSZACIVSA-N 0 0 343.452 2.279 40 0 EEABRN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1F ZINC000078986875 217165600 /nfs/dbraw/zinc/16/56/00/217165600.db2.gz AUMHKZBLYGKFEH-JTQLQIEISA-N 0 0 338.688 2.372 40 0 EEABRN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1nc2ncccn2n1 ZINC000079092469 217190003 /nfs/dbraw/zinc/19/00/03/217190003.db2.gz INIWBAIMBXURQR-UHFFFAOYSA-N 0 0 338.302 2.100 40 0 EEABRN O=C(NCCNS(=O)(=O)c1ccccc1)c1coc2ccccc12 ZINC000079092046 217190176 /nfs/dbraw/zinc/19/01/76/217190176.db2.gz BURCEZNRRHBZQE-UHFFFAOYSA-N 0 0 344.392 2.141 40 0 EEABRN O=C(CCNC(=O)c1ccco1)N(CC(F)(F)F)c1ccccn1 ZINC000079336477 217211445 /nfs/dbraw/zinc/21/14/45/217211445.db2.gz CQABEWUSJCSSFE-UHFFFAOYSA-N 0 0 341.289 2.390 40 0 EEABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCc2cscn2)CC1=O ZINC000079352505 217212543 /nfs/dbraw/zinc/21/25/43/217212543.db2.gz YAAKQOYDXYDIND-DZGCQCFKSA-N 0 0 343.452 2.412 40 0 EEABRN Cc1cnc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000079350886 217212685 /nfs/dbraw/zinc/21/26/85/217212685.db2.gz VHKVYZARPIJLFW-UHFFFAOYSA-N 0 0 343.774 2.461 40 0 EEABRN COc1ccc(F)cc1C[S@](=O)[C@H](C)C(=O)NCC(F)(F)F ZINC000079324450 217208251 /nfs/dbraw/zinc/20/82/51/217208251.db2.gz WXFGTKXBNPGIMK-CWMRNNLJSA-N 0 0 341.326 2.150 40 0 EEABRN O=C(NCCCc1nnc2ccccn21)c1c[nH]nc1-c1ccccc1 ZINC000079865346 217258488 /nfs/dbraw/zinc/25/84/88/217258488.db2.gz FZVVPLMRZUMXPH-UHFFFAOYSA-N 0 0 346.394 2.482 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@@H]2SCCc3sccc32)n1C ZINC000080243956 217291699 /nfs/dbraw/zinc/29/16/99/217291699.db2.gz VXCSWFWTCOZUPL-CYBMUJFWSA-N 0 0 336.486 2.194 40 0 EEABRN O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000013320902 304210366 /nfs/dbraw/zinc/21/03/66/304210366.db2.gz KRHNZEPQXTXLJB-FSDCSDTHSA-N 0 0 334.460 2.210 40 0 EEABRN CC(C)(C)CC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000012145855 211306070 /nfs/dbraw/zinc/30/60/70/211306070.db2.gz FLPFJTADTBRRFJ-UHFFFAOYSA-N 0 0 328.416 2.391 40 0 EEABRN Cn1nccc1CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000091601667 218030358 /nfs/dbraw/zinc/03/03/58/218030358.db2.gz MYEGRQUEONXCCG-CABCVRRESA-N 0 0 334.807 2.403 40 0 EEABRN CC(C)(NS(C)(=O)=O)C(=O)NCC1(c2cccs2)CCCC1 ZINC000095401842 218336499 /nfs/dbraw/zinc/33/64/99/218336499.db2.gz AFTQERAPCGEIRL-UHFFFAOYSA-N 0 0 344.502 2.004 40 0 EEABRN O=S(=O)(C/C=C\CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008613235 210973501 /nfs/dbraw/zinc/97/35/01/210973501.db2.gz OFNJLSLOMXPHAG-FPLPWBNLSA-N 0 0 336.434 2.490 40 0 EEABRN Cc1oncc1C(=O)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039828 218522197 /nfs/dbraw/zinc/52/21/97/218522197.db2.gz GYEPSXHPOPOMNQ-SJLPKXTDSA-N 0 0 334.416 2.421 40 0 EEABRN CCn1ncc2c1CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096044571 218529558 /nfs/dbraw/zinc/52/95/58/218529558.db2.gz DJJKKFILDNMUMW-CQSZACIVSA-N 0 0 329.400 2.378 40 0 EEABRN CCOC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cc(C)on1 ZINC000096068230 218566553 /nfs/dbraw/zinc/56/65/53/218566553.db2.gz ZXLHBWUISVZRMC-MRXNPFEDSA-N 0 0 344.415 2.366 40 0 EEABRN O=C(c1ccno1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096070002 218568182 /nfs/dbraw/zinc/56/81/82/218568182.db2.gz SLAVHJCRIIVNHZ-HOTGVXAUSA-N 0 0 327.384 2.322 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C)nn3)CC2)cc1 ZINC000096119456 218611669 /nfs/dbraw/zinc/61/16/69/218611669.db2.gz GIMCKZARNSNRSL-UHFFFAOYSA-N 0 0 347.440 2.326 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000096181691 218643638 /nfs/dbraw/zinc/64/36/38/218643638.db2.gz MKAJWTZIUMECJS-SJORKVTESA-N 0 0 328.343 2.363 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096219270 218694798 /nfs/dbraw/zinc/69/47/98/218694798.db2.gz FMCAKBSTTGWIKV-DAYGRLMNSA-N 0 0 328.368 2.055 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096224545 218700189 /nfs/dbraw/zinc/70/01/89/218700189.db2.gz RMJWJJMRUKDUNU-LJQANCHMSA-N 0 0 336.395 2.136 40 0 EEABRN COc1cccc(N2C[C@@]3(CCN(C(=O)CC4CC4)C3)CC2=O)c1 ZINC000096238939 218711517 /nfs/dbraw/zinc/71/15/17/218711517.db2.gz AUDPKHINQQECEO-IBGZPJMESA-N 0 0 328.412 2.451 40 0 EEABRN CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224972 218701538 /nfs/dbraw/zinc/70/15/38/218701538.db2.gz WJOJSIBXTIFPHE-INIZCTEOSA-N 0 0 345.443 2.017 40 0 EEABRN CC(C)CCC(=O)NCC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000096411280 218766219 /nfs/dbraw/zinc/76/62/19/218766219.db2.gz KSMGGKJZTHIITE-PBHICJAKSA-N 0 0 326.481 2.496 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N(C)CCN(C)c2ccccc2)cn1 ZINC000096427956 218800782 /nfs/dbraw/zinc/80/07/82/218800782.db2.gz IKQXPVNPSJEZOB-UHFFFAOYSA-N 0 0 336.461 2.221 40 0 EEABRN CCn1c(Cc2ccccc2)nnc1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000096451861 218835162 /nfs/dbraw/zinc/83/51/62/218835162.db2.gz ARCFYNRZWOVGFT-HNNXBMFYSA-N 0 0 349.456 2.232 40 0 EEABRN CCn1cc(NS(=O)(=O)c2ccc(C)c(N(C)C)c2)ccc1=O ZINC000096476046 218853413 /nfs/dbraw/zinc/85/34/13/218853413.db2.gz ZUGALUJNBJEOAJ-UHFFFAOYSA-N 0 0 335.429 2.043 40 0 EEABRN O=C(N[C@H](CO)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000097233075 219001248 /nfs/dbraw/zinc/00/12/48/219001248.db2.gz ZWZMWHQEGXAJCN-GOSISDBHSA-N 0 0 338.407 2.272 40 0 EEABRN C[C@@](O)(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1 ZINC000097236913 219003555 /nfs/dbraw/zinc/00/35/55/219003555.db2.gz ULOMEUGPDDOVQI-HXUWFJFHSA-N 0 0 340.423 2.339 40 0 EEABRN C[C@]12CC[C@H]3[C@@H](C[C@@H](N4CC4)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922980 221204068 /nfs/dbraw/zinc/20/40/68/221204068.db2.gz DLLYIRQRNHFLFN-FVCHVEBFSA-N 0 0 347.499 2.368 40 0 EEABRN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC=C(F)C2)cc1 ZINC000273150892 256270433 /nfs/dbraw/zinc/27/04/33/256270433.db2.gz YUIJESMWSZUBAD-UHFFFAOYSA-N 0 0 340.420 2.320 40 0 EEABRN Cc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000409058973 257881546 /nfs/dbraw/zinc/88/15/46/257881546.db2.gz QAADFZHYEJDLIO-CABCVRRESA-N 0 0 329.787 2.123 40 0 EEABRN CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529858 257845229 /nfs/dbraw/zinc/84/52/29/257845229.db2.gz UAHGHYCKLHYQEV-HOTGVXAUSA-N 0 0 349.394 2.307 40 0 biogenic,in-vitro EEABRN COC(=O)[C@H](NC(=O)Cc1c(C)n[nH]c1C)c1cc(C)cc(C)c1 ZINC000189809970 533313789 /nfs/dbraw/zinc/31/37/89/533313789.db2.gz CWPYMLYXXCLZEQ-QGZVFWFLSA-N 0 0 329.400 2.216 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 ZINC000057355929 286070013 /nfs/dbraw/zinc/07/00/13/286070013.db2.gz AKCYXIDWGBKPCA-WMZOPIPTSA-N 0 0 332.444 2.447 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000151517344 286408853 /nfs/dbraw/zinc/40/88/53/286408853.db2.gz XXWSXEKVDBYXSP-RCCFBDPRSA-N 0 0 346.471 2.068 40 0 EEABRN COc1ccccc1CNC(=O)NCCC(=O)N1CCCCCC1 ZINC000060278144 286497739 /nfs/dbraw/zinc/49/77/39/286497739.db2.gz UWUJVLDVWQMIBW-UHFFFAOYSA-N 0 0 333.432 2.287 40 0 EEABRN CS(=O)(=O)C1(C(=O)N[C@H]2CCCOc3cc(F)ccc32)CCC1 ZINC000253419389 286585630 /nfs/dbraw/zinc/58/56/30/286585630.db2.gz MAZWSXDJBNGXDO-ZDUSSCGKSA-N 0 0 341.404 2.123 40 0 EEABRN Cc1ccccc1-c1nnn(Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000340570312 160938906 /nfs/dbraw/zinc/93/89/06/160938906.db2.gz HJJWMOXCFMRUOS-UHFFFAOYSA-N 0 0 328.397 2.100 40 0 EEABRN CCOCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C ZINC000096109674 276334817 /nfs/dbraw/zinc/33/48/17/276334817.db2.gz NKVOHIKDDGNJGP-GFCCVEGCSA-N 0 0 343.383 2.365 40 0 EEABRN CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cn2cc(Cl)ccc2n1 ZINC000096041328 276359714 /nfs/dbraw/zinc/35/97/14/276359714.db2.gz AZKMRZLFLGRXQT-DZKIICNBSA-N 0 0 349.818 2.396 40 0 EEABRN COCC(=O)N1CCC2(C[C@@H](CC(=O)N(C)C)c3ccccc32)CC1 ZINC000096052733 277479568 /nfs/dbraw/zinc/47/95/68/277479568.db2.gz WQTHFOIGYUJEAP-OAHLLOKOSA-N 0 0 344.455 2.159 40 0 EEABRN COc1ccsc1S(=O)(=O)N1CCN(C)c2ccccc2C1 ZINC000096472587 278070958 /nfs/dbraw/zinc/07/09/58/278070958.db2.gz JWNNGDSJHPUIGH-UHFFFAOYSA-N 0 0 338.454 2.397 40 0 EEABRN Cc1oncc1C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1 ZINC000096259212 279280426 /nfs/dbraw/zinc/28/04/26/279280426.db2.gz SQRZJGIUDFAXFA-UHFFFAOYSA-N 0 0 331.420 2.066 40 0 EEABRN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)cc2)n2ncnc2N1 ZINC000010157092 281625320 /nfs/dbraw/zinc/62/53/20/281625320.db2.gz BFJCFGVXEWPBIS-INIZCTEOSA-N 0 0 339.399 2.285 40 0 EEABRN CN1CCN(C2=C(Cl)[C@@]3(OCCS3)C(F)(F)C2(F)F)CC1 ZINC000022870892 290037883 /nfs/dbraw/zinc/03/78/83/290037883.db2.gz MHRMAHXWWOASEL-NSHDSACASA-N 0 0 346.777 2.428 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000195221640 295107042 /nfs/dbraw/zinc/10/70/42/295107042.db2.gz OXNDTEXFOMTNSC-CQSZACIVSA-N 0 0 335.429 2.263 40 0 EEABRN Nc1nccnc1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000096445575 295372431 /nfs/dbraw/zinc/37/24/31/295372431.db2.gz VXMLLJMGGDEHFQ-UHFFFAOYSA-N 0 0 337.305 2.088 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072239429 301845681 /nfs/dbraw/zinc/84/56/81/301845681.db2.gz LHOARGIZSCGVNW-WBVHZDCISA-N 0 0 332.469 2.480 40 0 EEABRN Cc1nc2c(cnn2C(C)(C)C)c(N2CC[S@](=O)C(C)(C)C2)n1 ZINC000096481021 302652056 /nfs/dbraw/zinc/65/20/56/302652056.db2.gz KVZJOVAGNGFFDT-HSZRJFAPSA-N 0 0 335.477 2.237 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044929 302836748 /nfs/dbraw/zinc/83/67/48/302836748.db2.gz FQBISADTVQGHAC-CQSZACIVSA-N 0 0 344.415 2.191 40 0 EEABRN Cn1nnc2c1C[C@@H](C(=O)N1C[C@@H]3CCC(=O)c4cccc1c43)CC2 ZINC000329780202 311701259 /nfs/dbraw/zinc/70/12/59/311701259.db2.gz RSCVZTYWNXGINL-RYUDHWBXSA-N 0 0 336.395 2.027 40 0 EEABRN CCc1nc(C)c(C(=O)N2CCN(c3ccc(OC)cn3)CC2)s1 ZINC000332393435 312000157 /nfs/dbraw/zinc/00/01/57/312000157.db2.gz NJOABCACRZXRNH-UHFFFAOYSA-N 0 0 346.456 2.380 40 0 EEABRN COCCC1(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CCC1 ZINC000097227969 323321171 /nfs/dbraw/zinc/32/11/71/323321171.db2.gz QCFMZXQCYLDKMO-UHFFFAOYSA-N 0 0 341.411 2.437 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N(C)[C@H](C)C[S@](C)=O)n1 ZINC000162767785 323334507 /nfs/dbraw/zinc/33/45/07/323334507.db2.gz NFVPXZJSQSXGOM-JCQPUDPBSA-N 0 0 334.445 2.411 40 0 EEABRN Cc1ccn(-c2ccccc2NC(=O)N(C)[C@H](C)C[S@@](C)=O)n1 ZINC000162768010 323334586 /nfs/dbraw/zinc/33/45/86/323334586.db2.gz NFVPXZJSQSXGOM-ZLOXQWCVSA-N 0 0 334.445 2.411 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2 ZINC000165238495 323334844 /nfs/dbraw/zinc/33/48/44/323334844.db2.gz QGYFATOFJDDODT-ROUUACIJSA-N 0 0 344.455 2.115 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ncccn1 ZINC000192107657 323477511 /nfs/dbraw/zinc/47/75/11/323477511.db2.gz MBZUYWUKFIBBCX-HNNXBMFYSA-N 0 0 326.400 2.397 40 0 EEABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1cccc(Cl)c1 ZINC000339423714 465261280 /nfs/dbraw/zinc/26/12/80/465261280.db2.gz NVXHPROPWUCFNC-UHFFFAOYSA-N 0 0 346.770 2.001 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)cc1C ZINC000000260693 462551058 /nfs/dbraw/zinc/55/10/58/462551058.db2.gz ZRTTTZSYDGNYMN-HZPDHXFCSA-N 0 0 334.416 2.470 40 0 EEABRN CC[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)N1CCCC1=O ZINC000074230952 462573499 /nfs/dbraw/zinc/57/34/99/462573499.db2.gz AGNLKFZBBIUMRJ-YOEHRIQHSA-N 0 0 340.427 2.451 40 0 EEABRN CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1 ZINC000000806200 462573804 /nfs/dbraw/zinc/57/38/04/462573804.db2.gz GNRSVHWWUDATPP-UHFFFAOYSA-N 0 0 339.442 2.426 40 0 EEABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)NC ZINC000000902829 462574774 /nfs/dbraw/zinc/57/47/74/462574774.db2.gz CIRJRVJUHFFCJS-UHFFFAOYSA-N 0 0 334.445 2.332 40 0 EEABRN CC(C)OCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061342510 462582096 /nfs/dbraw/zinc/58/20/96/462582096.db2.gz RBGRREFUDBBOIT-UHFFFAOYSA-N 0 0 348.852 2.256 40 0 EEABRN CN1CCC[C@@H](C(O)(c2ccccc2)c2ccccc2)S1(=O)=O ZINC000001562839 462583816 /nfs/dbraw/zinc/58/38/16/462583816.db2.gz PVFILLLLHRWRTA-KRWDZBQOSA-N 0 0 331.437 2.347 40 0 EEABRN COCCCn1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1 ZINC000088389873 462625952 /nfs/dbraw/zinc/62/59/52/462625952.db2.gz TWKDHHVXIIDWDA-CYBMUJFWSA-N 0 0 332.408 2.402 40 0 EEABRN COc1cccc(CCNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 ZINC000074733520 462627904 /nfs/dbraw/zinc/62/79/04/462627904.db2.gz YXNKZTAJQPGBDC-LBPRGKRZSA-N 0 0 340.379 2.387 40 0 EEABRN O=C(NCc1nccn1Cc1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000074818077 462638389 /nfs/dbraw/zinc/63/83/89/462638389.db2.gz QLSBNCALGJSOSG-JKSUJKDBSA-N 0 0 328.416 2.034 40 0 EEABRN COC(=O)CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C ZINC000006455923 462686986 /nfs/dbraw/zinc/68/69/86/462686986.db2.gz GSCBKUBSJYWKNL-UHFFFAOYSA-N 0 0 333.340 2.175 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)s1 ZINC000006679989 462696035 /nfs/dbraw/zinc/69/60/35/462696035.db2.gz CUOCZRYLOPIZJV-UHFFFAOYSA-N 0 0 328.390 2.356 40 0 EEABRN C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCC ZINC000006959622 462713673 /nfs/dbraw/zinc/71/36/73/462713673.db2.gz AQTBYBIIAGOKRJ-ZROIWOOFSA-N 0 0 343.383 2.314 40 0 EEABRN Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(N2CCOCC2)ccn1 ZINC000130921476 462782661 /nfs/dbraw/zinc/78/26/61/462782661.db2.gz IKECYFKTSMDHOE-LLVKDONJSA-N 0 0 330.388 2.014 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000010039273 462812525 /nfs/dbraw/zinc/81/25/25/462812525.db2.gz YRTBOKHBLXIFRZ-OAHLLOKOSA-N 0 0 346.452 2.021 40 0 EEABRN O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@@H]2c1ccco1 ZINC000010297776 462815651 /nfs/dbraw/zinc/81/56/51/462815651.db2.gz MDPSGZTZLBTUMG-GFCCVEGCSA-N 0 0 339.340 2.185 40 0 EEABRN O=C(CN1c2ccccc2C2=NCCCN2C1=O)N1CCCCCC1 ZINC000012142784 462845501 /nfs/dbraw/zinc/84/55/01/462845501.db2.gz GFHAWPKNGJNZAI-UHFFFAOYSA-N 0 0 340.427 2.482 40 0 EEABRN CC[C@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1ccc(F)cc1 ZINC000012199744 462846603 /nfs/dbraw/zinc/84/66/03/462846603.db2.gz VSIZUPKPJACIMD-INIZCTEOSA-N 0 0 344.390 2.333 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N(CCc1nccs1)C(C)C ZINC000155603762 462915531 /nfs/dbraw/zinc/91/55/31/462915531.db2.gz WLMOMUFVEXBQKT-UHFFFAOYSA-N 0 0 329.447 2.390 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000015340237 462948379 /nfs/dbraw/zinc/94/83/79/462948379.db2.gz OUJWQFKXPJKJQY-UHFFFAOYSA-N 0 0 338.816 2.178 40 0 EEABRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)C1(O)CCC1 ZINC000133890494 462981518 /nfs/dbraw/zinc/98/15/18/462981518.db2.gz OZWOXFYYTCKSJX-UHFFFAOYSA-N 0 0 327.428 2.393 40 0 EEABRN c1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2[C@@H]2CCCO2)cn1 ZINC000019403775 463017328 /nfs/dbraw/zinc/01/73/28/463017328.db2.gz KYYRMECDLHTKRK-WFASDCNBSA-N 0 0 327.388 2.376 40 0 EEABRN CC(C)CN1C[C@@H](C(=O)N(C)C[C@@H]2OCCc3ccccc32)CC1=O ZINC000019447077 463018244 /nfs/dbraw/zinc/01/82/44/463018244.db2.gz GDIMQIPKBRCBDZ-WMZOPIPTSA-N 0 0 344.455 2.263 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](/C=C/c1ccccc1)CC3=O ZINC000019973960 463024616 /nfs/dbraw/zinc/02/46/16/463024616.db2.gz RPRYCYUGLULVDZ-SYTKJHMZSA-N 0 0 332.363 2.359 40 0 EEABRN Cc1n[nH]cc1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000051382514 463034852 /nfs/dbraw/zinc/03/48/52/463034852.db2.gz CODUZFLDFOKECR-INIZCTEOSA-N 0 0 340.427 2.195 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096039072 463143886 /nfs/dbraw/zinc/14/38/86/463143886.db2.gz LGQUXVRJABOZSP-MJGOQNOKSA-N 0 0 333.428 2.282 40 0 EEABRN CCn1nnc2c1[C@@H](COC)CN(C(=O)/C=C/c1cccs1)C2 ZINC000096045530 463148788 /nfs/dbraw/zinc/14/87/88/463148788.db2.gz BNQUETPUVQLBCH-NNNHXZLVSA-N 0 0 332.429 2.145 40 0 EEABRN O=C(c1ccoc1)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC000096056604 463158663 /nfs/dbraw/zinc/15/86/63/463158663.db2.gz UNZCMVGURHLNKC-HZPDHXFCSA-N 0 0 325.368 2.080 40 0 EEABRN O=C([C@H]1CCC2(CCN(C(=O)c3ccco3)CC2)O1)N1CCCC1 ZINC000096061246 463161339 /nfs/dbraw/zinc/16/13/39/463161339.db2.gz FDVYHTHDYJCSGD-OAHLLOKOSA-N 0 0 332.400 2.056 40 0 EEABRN Cc1cnc(N2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)nc1 ZINC000096073305 463167764 /nfs/dbraw/zinc/16/77/64/463167764.db2.gz GXDPBYODHILWME-MRXNPFEDSA-N 0 0 344.459 2.173 40 0 EEABRN COc1cc(N2CCC3(CC2)OCCN(C)c2ccccc23)ncn1 ZINC000096080303 463168702 /nfs/dbraw/zinc/16/87/02/463168702.db2.gz SKQIMVQGKYXKHH-UHFFFAOYSA-N 0 0 340.427 2.447 40 0 EEABRN O[C@@H](COc1ccccc1)CN1CCN(c2ccccc2F)CC1 ZINC000026781745 463171967 /nfs/dbraw/zinc/17/19/67/463171967.db2.gz FSIABKILWJIJDI-MRXNPFEDSA-N 0 0 330.403 2.388 40 0 EEABRN NC(=O)[C@H]1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)C1 ZINC000079031194 463181649 /nfs/dbraw/zinc/18/16/49/463181649.db2.gz BSXKXQHOFJHQSY-LBPRGKRZSA-N 0 0 344.802 2.299 40 0 EEABRN COc1ccc(CC(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000096121075 463182116 /nfs/dbraw/zinc/18/21/16/463182116.db2.gz IWUZTISXPMJNRG-UHFFFAOYSA-N 0 0 340.427 2.253 40 0 EEABRN O=C(CSC1CCCC1)Nc1nc2c(s1)C(=O)NCCC2 ZINC000096124372 463183494 /nfs/dbraw/zinc/18/34/94/463183494.db2.gz GTODGWOKYDDMAG-UHFFFAOYSA-N 0 0 325.459 2.433 40 0 EEABRN O=C(N1CCCC1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC000096161372 463192027 /nfs/dbraw/zinc/19/20/27/463192027.db2.gz MKYCHVKHMODAIE-MRXNPFEDSA-N 0 0 327.428 2.198 40 0 EEABRN O=C(CCc1ccccc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096188580 463199817 /nfs/dbraw/zinc/19/98/17/463199817.db2.gz GZFAYXSTNAECFG-SFHVURJKSA-N 0 0 349.438 2.371 40 0 EEABRN O=C(CC1CCCC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096188605 463199995 /nfs/dbraw/zinc/19/99/95/463199995.db2.gz MLBPKNMFSPKOLL-INIZCTEOSA-N 0 0 327.432 2.319 40 0 EEABRN CCOC[C@@H]1Cn2nccc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096188930 463200347 /nfs/dbraw/zinc/20/03/47/463200347.db2.gz DQHOBZLLLZTGJQ-HNNXBMFYSA-N 0 0 329.400 2.280 40 0 EEABRN O=C([O-])c1c2c(cnc1-c1cccnc1)C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096189259 463200450 /nfs/dbraw/zinc/20/04/50/463200450.db2.gz BNGGNBOEMWLBSH-CYBMUJFWSA-N 0 0 339.395 2.236 40 0 EEABRN O=C(Cc1ccco1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096206960 463211029 /nfs/dbraw/zinc/21/10/29/463211029.db2.gz FPXNSQRJCVIRJD-HKUYNNGSSA-N 0 0 342.395 2.446 40 0 EEABRN c1ncn2c1CN(Cc1ccccn1)C[C@@H](COc1cccnc1)C2 ZINC000096209283 463212007 /nfs/dbraw/zinc/21/20/07/463212007.db2.gz ATKYTYPIIKBRHY-MRXNPFEDSA-N 0 0 335.411 2.384 40 0 EEABRN O=C1CC[C@@]2(CCCN(c3ncccn3)CC2)N1Cc1cccnc1 ZINC000096218032 463215639 /nfs/dbraw/zinc/21/56/39/463215639.db2.gz SRWYGNAJZCNJLF-LJQANCHMSA-N 0 0 337.427 2.423 40 0 EEABRN Cn1ccnc1CN1CCC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096222838 463219082 /nfs/dbraw/zinc/21/90/82/463219082.db2.gz LJMGIXYBAWQKOI-WMZOPIPTSA-N 0 0 327.432 2.051 40 0 EEABRN Cc1nc(CN2CCC[C@@]3(C2)CN(c2cnccn2)CCO3)cs1 ZINC000096226686 463221347 /nfs/dbraw/zinc/22/13/47/463221347.db2.gz FENMQUOUKGTQGJ-QGZVFWFLSA-N 0 0 345.472 2.113 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2ccccn2)C3)nn1 ZINC000096229049 463221762 /nfs/dbraw/zinc/22/17/62/463221762.db2.gz DRGNBGJFBUKTKT-IBGZPJMESA-N 0 0 339.443 2.303 40 0 EEABRN CN(C)Cc1nn(C)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096255877 463228232 /nfs/dbraw/zinc/22/82/32/463228232.db2.gz JHBFKDLOOLOJRA-UHFFFAOYSA-N 0 0 332.835 2.334 40 0 EEABRN O=C(c1ccco1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096373858 463237481 /nfs/dbraw/zinc/23/74/81/463237481.db2.gz USGCWCRKBAVXDH-UHFFFAOYSA-N 0 0 337.372 2.497 40 0 EEABRN Cc1n[nH]c(=O)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1C ZINC000096408518 463241753 /nfs/dbraw/zinc/24/17/53/463241753.db2.gz HVYXQMCGBGZIIN-UHFFFAOYSA-N 0 0 328.347 2.392 40 0 EEABRN O=C(NCCOCCc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000096410767 463243816 /nfs/dbraw/zinc/24/38/16/463243816.db2.gz CGCISOCVOIBPMN-UHFFFAOYSA-N 0 0 348.349 2.279 40 0 EEABRN CSC[C@@](C)(O)CNC(=O)Cc1ccc(Br)cc1 ZINC000096414692 463246843 /nfs/dbraw/zinc/24/68/43/463246843.db2.gz LEFGAKOSSPEZSK-ZDUSSCGKSA-N 0 0 332.263 2.222 40 0 EEABRN C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)CNC(=O)c1ccccn1 ZINC000096417013 463249102 /nfs/dbraw/zinc/24/91/02/463249102.db2.gz QCCJFYJYRQSMEE-LBPRGKRZSA-N 0 0 347.365 2.227 40 0 EEABRN CC[C@@H](NC(=O)N[C@H]1CCCCNC1=O)c1cc(F)ccc1F ZINC000096419894 463251506 /nfs/dbraw/zinc/25/15/06/463251506.db2.gz VAULTLLKDUHQSA-KGLIPLIRSA-N 0 0 325.359 2.384 40 0 EEABRN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(NS(C)(=O)=O)CC1 ZINC000096421058 463251796 /nfs/dbraw/zinc/25/17/96/463251796.db2.gz NTRMQIBDXQVVBO-ZDUSSCGKSA-N 0 0 349.456 2.416 40 0 EEABRN O=C(NC[C@@H](O)c1ccsc1)c1ccc(CN2CCOCC2)cc1 ZINC000096419990 463252129 /nfs/dbraw/zinc/25/21/29/463252129.db2.gz OZNOTWFIUXATKY-QGZVFWFLSA-N 0 0 346.452 2.044 40 0 EEABRN Cn1cc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000096420015 463252142 /nfs/dbraw/zinc/25/21/42/463252142.db2.gz QPMRIMIXUOMTTP-LBPRGKRZSA-N 0 0 328.199 2.119 40 0 EEABRN C[C@@H](SCCS(C)(=O)=O)c1nc(Cc2ccccc2)no1 ZINC000096422234 463252726 /nfs/dbraw/zinc/25/27/26/463252726.db2.gz PSZVFXUIROQTMD-LLVKDONJSA-N 0 0 326.443 2.499 40 0 EEABRN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCc2n[nH]cc2C1 ZINC000096426187 463255520 /nfs/dbraw/zinc/25/55/20/463255520.db2.gz JMLQGXAMCXJTHH-AWEZNQCLSA-N 0 0 344.802 2.001 40 0 EEABRN CCCS(=O)(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000096428300 463258149 /nfs/dbraw/zinc/25/81/49/463258149.db2.gz LOOUYJYQBRILBY-UHFFFAOYSA-N 0 0 325.356 2.348 40 0 EEABRN CCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000029504940 463259509 /nfs/dbraw/zinc/25/95/09/463259509.db2.gz WBKJYIDDPWGOJS-UHFFFAOYSA-N 0 0 332.425 2.421 40 0 EEABRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1nc(C(C)(C)C)no1 ZINC000096432759 463261285 /nfs/dbraw/zinc/26/12/85/463261285.db2.gz NZPAYFDKYICOQW-LLVKDONJSA-N 0 0 340.387 2.439 40 0 EEABRN Cc1nn2cccnc2c1C(=O)NCCNc1ccc2ccccc2n1 ZINC000096436747 463265038 /nfs/dbraw/zinc/26/50/38/463265038.db2.gz OAHDZYNSPHFBPU-UHFFFAOYSA-N 0 0 346.394 2.428 40 0 EEABRN O=C(N[C@@H]1CCc2ccc(F)cc21)N1CCN(Cc2ccon2)CC1 ZINC000096439990 463266079 /nfs/dbraw/zinc/26/60/79/463266079.db2.gz BSGCGKOXTMDJSI-QGZVFWFLSA-N 0 0 344.390 2.328 40 0 EEABRN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccncc1Cl ZINC000096441380 463267408 /nfs/dbraw/zinc/26/74/08/463267408.db2.gz DWZFIZVNQOKDHR-CYBMUJFWSA-N 0 0 331.869 2.029 40 0 EEABRN Cc1ccc(C)c([C@H]2CN(CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441487 463267473 /nfs/dbraw/zinc/26/74/73/463267473.db2.gz FLOGBWIYGTXXAV-NVXWUHKLSA-N 0 0 330.428 2.214 40 0 EEABRN Cc1nnc([C@H](NS(=O)(=O)c2cnc(Cl)c(C)c2)C(C)C)[nH]1 ZINC000096444896 463269688 /nfs/dbraw/zinc/26/96/88/463269688.db2.gz ODQBZMKRWJZPLE-LLVKDONJSA-N 0 0 343.840 2.146 40 0 EEABRN Cn1ccnc1CNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000096446533 463270870 /nfs/dbraw/zinc/27/08/70/463270870.db2.gz SKHCVBCOFDGGTC-MRXNPFEDSA-N 0 0 330.407 2.230 40 0 EEABRN CC[C@H](Oc1ccccc1F)C(=O)N1CCN(c2nccn2C)CC1 ZINC000096449572 463272207 /nfs/dbraw/zinc/27/22/07/463272207.db2.gz SGHJWSKNGRVODL-HNNXBMFYSA-N 0 0 346.406 2.065 40 0 EEABRN Cc1ccc(C)c([C@H](C)NC(=O)NCC2(CS(C)(=O)=O)CC2)c1 ZINC000096450918 463272774 /nfs/dbraw/zinc/27/27/74/463272774.db2.gz SYBFMMGZXZAMKM-AWEZNQCLSA-N 0 0 338.473 2.488 40 0 EEABRN Cn1cc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)ccc1=O ZINC000096466493 463278024 /nfs/dbraw/zinc/27/80/24/463278024.db2.gz RTNASTLSEIYRMB-CYBMUJFWSA-N 0 0 328.393 2.063 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(F)cc1 ZINC000096518162 463293166 /nfs/dbraw/zinc/29/31/66/463293166.db2.gz ZBNZDIHCHSGCGM-VIFPVBQESA-N 0 0 329.574 2.341 40 0 EEABRN C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000097099111 463324091 /nfs/dbraw/zinc/32/40/91/463324091.db2.gz NSJYNFXJFYQTFU-SPSFWMDKSA-N 0 0 332.429 2.374 40 0 EEABRN O=C(Nc1cnn(C[C@H]2CCCO2)c1)NC1Cc2ccccc2C1 ZINC000097377565 463357164 /nfs/dbraw/zinc/35/71/64/463357164.db2.gz RWKGKLJYMKXEAQ-QGZVFWFLSA-N 0 0 326.400 2.351 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1F ZINC000032585312 463381720 /nfs/dbraw/zinc/38/17/20/463381720.db2.gz NJQSKIQQPGVAOK-UHFFFAOYSA-N 0 0 339.344 2.406 40 0 EEABRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1COCCO1 ZINC000070970712 463398724 /nfs/dbraw/zinc/39/87/24/463398724.db2.gz VTJJDRIPHFCOPL-ZDUSSCGKSA-N 0 0 341.289 2.245 40 0 EEABRN COCc1cccc(S(=O)(=O)NCc2nc3ccccc3n2C)c1 ZINC000071195370 463411385 /nfs/dbraw/zinc/41/13/85/463411385.db2.gz PDUDFKYQJWOZRE-UHFFFAOYSA-N 0 0 345.424 2.198 40 0 EEABRN Cc1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)n(C)n1 ZINC000071195799 463411813 /nfs/dbraw/zinc/41/18/13/463411813.db2.gz KYTYOGGUJGVASL-MRXNPFEDSA-N 0 0 348.410 2.388 40 0 EEABRN COc1ccc(N2C(=O)C[C@@H](Nc3ccccc3OC)C2=O)cc1 ZINC000036635630 463437254 /nfs/dbraw/zinc/43/72/54/463437254.db2.gz XYIRNYKXTKNTDW-OAHLLOKOSA-N 0 0 326.352 2.448 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1 ZINC000150940863 463455400 /nfs/dbraw/zinc/45/54/00/463455400.db2.gz YEVKFQMUULSKSM-ZFWWWQNUSA-N 0 0 327.446 2.282 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CCc2ccccc2)C1 ZINC000057318678 463477459 /nfs/dbraw/zinc/47/74/59/463477459.db2.gz RLUMAUNYOGKZRN-NVXWUHKLSA-N 0 0 332.444 2.009 40 0 EEABRN C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000081834476 463499364 /nfs/dbraw/zinc/49/93/64/463499364.db2.gz NBMJVVWFXCPOBM-MNOVXSKESA-N 0 0 328.409 2.124 40 0 EEABRN Cc1ccoc1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108534247 463611420 /nfs/dbraw/zinc/61/14/20/463611420.db2.gz CNFUHCYXFRHEAY-IRXDYDNUSA-N 0 0 341.411 2.099 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)on1 ZINC000058648423 463615124 /nfs/dbraw/zinc/61/51/24/463615124.db2.gz JWSLJCOZDMLYBV-ZDUSSCGKSA-N 0 0 329.404 2.321 40 0 EEABRN CCOC(=O)CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CC1 ZINC000058864113 463628503 /nfs/dbraw/zinc/62/85/03/463628503.db2.gz QCHCFRVQOQECNO-UHFFFAOYSA-N 0 0 336.363 2.342 40 0 EEABRN COc1ccc([C@H](C)NC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000059516219 463644710 /nfs/dbraw/zinc/64/47/10/463644710.db2.gz ZDYGZEYKTGZYRS-AWEZNQCLSA-N 0 0 326.396 2.231 40 0 EEABRN Cc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)n(C)n1 ZINC000059895546 463646292 /nfs/dbraw/zinc/64/62/92/463646292.db2.gz LLJZJDWLLCNJBV-UHFFFAOYSA-N 0 0 347.440 2.020 40 0 EEABRN Cc1nn2cccnc2c1C(=O)O[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000073839588 463661276 /nfs/dbraw/zinc/66/12/76/463661276.db2.gz QYNJLSHTSSYHPM-NSHDSACASA-N 0 0 339.277 2.232 40 0 EEABRN COC(=O)c1ccc(F)c(NCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000044073927 463667170 /nfs/dbraw/zinc/66/71/70/463667170.db2.gz UTQYIERQGRPOIV-UHFFFAOYSA-N 0 0 346.314 2.392 40 0 EEABRN Cc1ccc(N(C)[C@@H]2CC[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]23)nn1 ZINC000257279051 463758859 /nfs/dbraw/zinc/75/88/59/463758859.db2.gz OEUOVPAVSHVWJV-FGTMMUONSA-N 0 0 338.459 2.230 40 0 EEABRN Cc1cnc(-c2cc(C)nc([C@H]3CCCN3S(C)(=O)=O)n2)s1 ZINC000257280938 463759980 /nfs/dbraw/zinc/75/99/80/463759980.db2.gz OMZSGYBAYMWZDU-GFCCVEGCSA-N 0 0 338.458 2.313 40 0 EEABRN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000257282729 463760454 /nfs/dbraw/zinc/76/04/54/463760454.db2.gz OVAOISOXQYKIQJ-CQSZACIVSA-N 0 0 338.371 2.449 40 0 EEABRN Cc1nc([C@@H]2CN(CCCOc3ccccc3F)CCO2)cc(=O)[nH]1 ZINC000257290212 463764035 /nfs/dbraw/zinc/76/40/35/463764035.db2.gz QCAWVMMKBFXKCE-KRWDZBQOSA-N 0 0 347.390 2.472 40 0 EEABRN CCn1cc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290606 463764131 /nfs/dbraw/zinc/76/41/31/463764131.db2.gz QDOJNNKDJRUECO-KRWDZBQOSA-N 0 0 329.448 2.246 40 0 EEABRN COCCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1F ZINC000257291589 463764504 /nfs/dbraw/zinc/76/45/04/463764504.db2.gz QHQPXVIWROABFK-PBHICJAKSA-N 0 0 334.391 2.030 40 0 EEABRN Cc1cc2nc(C3CCN(C(=O)Cc4cccnc4)CC3)ccn2n1 ZINC000257292746 463765016 /nfs/dbraw/zinc/76/50/16/463765016.db2.gz QMUKNVFMLKCVFI-UHFFFAOYSA-N 0 0 335.411 2.381 40 0 EEABRN CC(=O)Nc1ncc(-c2cncc([C@@H]3CCCN(C(C)=O)C3)n2)s1 ZINC000257299280 463769157 /nfs/dbraw/zinc/76/91/57/463769157.db2.gz RPKHCZGSFMXDFZ-GFCCVEGCSA-N 0 0 345.428 2.284 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)CCn3nccc3C)CCN2C)cc1 ZINC000257312657 463774010 /nfs/dbraw/zinc/77/40/10/463774010.db2.gz UOZYLCYJDSMQEM-GOSISDBHSA-N 0 0 342.443 2.106 40 0 EEABRN CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2ccccc2F)n1 ZINC000257317907 463774647 /nfs/dbraw/zinc/77/46/47/463774647.db2.gz VLRANWTXOHKFJS-OAHLLOKOSA-N 0 0 344.390 2.108 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@@H](c2cccc(NC)n2)C1 ZINC000257314929 463775285 /nfs/dbraw/zinc/77/52/85/463775285.db2.gz UZEPBVJOVGFGEZ-CQSZACIVSA-N 0 0 330.388 2.196 40 0 EEABRN COCC(=O)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257322993 463777540 /nfs/dbraw/zinc/77/75/40/463777540.db2.gz WIHZUUBHCPMHDL-IXDOHACOSA-N 0 0 348.418 2.043 40 0 EEABRN O=C([O-])COc1ccccc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257329120 463779293 /nfs/dbraw/zinc/77/92/93/463779293.db2.gz XIONRFUNWMRTAU-CQSZACIVSA-N 0 0 329.400 2.328 40 0 EEABRN CC1(C)Oc2ccc(O)cc2[C@@H]2O[C@@H]3CC[N@H+](CC(=O)[O-])[C@H]3C[C@H]21 ZINC000257332856 463781276 /nfs/dbraw/zinc/78/12/76/463781276.db2.gz XYZUUJJLIOECIK-CXUGXGMPSA-N 0 0 333.384 2.168 40 0 EEABRN COc1ccc(F)cc1C(=O)N1CCC[C@@H]2[C@H]1CCCC(=O)N2C ZINC000257331112 463781470 /nfs/dbraw/zinc/78/14/70/463781470.db2.gz XRKAICMXOIHIQW-HUUCEWRRSA-N 0 0 334.391 2.450 40 0 EEABRN Cn1cc(C[NH+]2CCC(c3cccc(CCC(=O)[O-])n3)CC2)cn1 ZINC000257342073 463785881 /nfs/dbraw/zinc/78/58/81/463785881.db2.gz ZMYMLIGILAUVDT-UHFFFAOYSA-N 0 0 328.416 2.212 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ccnn2C(C)C)n1 ZINC000257339743 463786408 /nfs/dbraw/zinc/78/64/08/463786408.db2.gz ZDADADVUKUTWNX-KRWDZBQOSA-N 0 0 342.447 2.227 40 0 EEABRN Cc1csc([C@H]2CN(C(=O)NCc3ncc(C)s3)CCO2)n1 ZINC000194266578 463823468 /nfs/dbraw/zinc/82/34/68/463823468.db2.gz YRMAUZJOAHOZOB-LLVKDONJSA-N 0 0 338.458 2.500 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1SCc1nc(N(C)C)no1 ZINC000194677176 463907636 /nfs/dbraw/zinc/90/76/36/463907636.db2.gz RGMRBTXNRNSSPY-UHFFFAOYSA-N 0 0 331.405 2.020 40 0 EEABRN CCc1ncc2c(n1)CN(S(=O)(=O)c1cc(C)ccc1OC)CC2 ZINC000195272237 464028450 /nfs/dbraw/zinc/02/84/50/464028450.db2.gz CIZSMECTLGVJNB-UHFFFAOYSA-N 0 0 347.440 2.103 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000195572571 464078299 /nfs/dbraw/zinc/07/82/99/464078299.db2.gz JKVXOSOORWDXDM-RYUDHWBXSA-N 0 0 345.447 2.432 40 0 EEABRN O=C(NC1CCN(C(=O)C(F)(F)Cl)CC1)c1ccccc1F ZINC000195570562 464078562 /nfs/dbraw/zinc/07/85/62/464078562.db2.gz DBXPBSHDHYMPHZ-UHFFFAOYSA-N 0 0 334.725 2.378 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@@H](C)C[S@@](C)=O ZINC000195565406 464078837 /nfs/dbraw/zinc/07/88/37/464078837.db2.gz LYPOOONPOOTHNM-FFISXVJXSA-N 0 0 338.473 2.181 40 0 EEABRN CC1(C)CC[C@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)O1 ZINC000187333416 464117929 /nfs/dbraw/zinc/11/79/29/464117929.db2.gz CJRRCZVAUDQWCY-OAHLLOKOSA-N 0 0 349.450 2.339 40 0 EEABRN Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000222621676 464131201 /nfs/dbraw/zinc/13/12/01/464131201.db2.gz BPZBXSZRUDSDPT-KRWDZBQOSA-N 0 0 346.452 2.244 40 0 EEABRN CC(C)CCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223270636 464138877 /nfs/dbraw/zinc/13/88/77/464138877.db2.gz GNRPBCQTCYIDBG-NSHDSACASA-N 0 0 348.415 2.282 40 0 EEABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000223320417 464140336 /nfs/dbraw/zinc/14/03/36/464140336.db2.gz GUYINYKXWVPWRS-UHFFFAOYSA-N 0 0 344.392 2.177 40 0 EEABRN CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COC(C)C ZINC000224719534 464150774 /nfs/dbraw/zinc/15/07/74/464150774.db2.gz NJGKYWGYRWCBMC-UHFFFAOYSA-N 0 0 348.443 2.348 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000225224396 464154647 /nfs/dbraw/zinc/15/46/47/464154647.db2.gz GIVQBMVBKFJBFF-NWDGAFQWSA-N 0 0 330.425 2.141 40 0 EEABRN CC[C@@](C)(CNC(=O)c1c(C)ccn1C)NC(=O)c1c(C)ccn1C ZINC000225489470 464165140 /nfs/dbraw/zinc/16/51/40/464165140.db2.gz QRZFVCAADOWDLJ-IBGZPJMESA-N 0 0 344.459 2.309 40 0 EEABRN NC(=O)c1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000225556848 464171227 /nfs/dbraw/zinc/17/12/27/464171227.db2.gz QREUKJBQWMMDIY-OAHLLOKOSA-N 0 0 348.353 2.083 40 0 EEABRN C[C@@H](NC(=O)CCCC1CCOCC1)c1nnnn1-c1ccccc1 ZINC000225582786 464174076 /nfs/dbraw/zinc/17/40/76/464174076.db2.gz SZYHPEVTVXQRPK-CQSZACIVSA-N 0 0 343.431 2.436 40 0 EEABRN COc1cc(C)n(CCNC(=O)c2ccc(Cl)s2)c(=O)c1 ZINC000225614346 464174669 /nfs/dbraw/zinc/17/46/69/464174669.db2.gz HIRVFNRDFHGWDT-UHFFFAOYSA-N 0 0 326.805 2.310 40 0 EEABRN Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCOCC1 ZINC000226252905 464183709 /nfs/dbraw/zinc/18/37/09/464183709.db2.gz FYJASCMOYZEPBI-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188192791 464220555 /nfs/dbraw/zinc/22/05/55/464220555.db2.gz KQDLLAOMYVRTMI-HUUCEWRRSA-N 0 0 340.464 2.314 40 0 EEABRN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263913687 464237081 /nfs/dbraw/zinc/23/70/81/464237081.db2.gz NCAWZRPYDLVYDL-STQMWFEESA-N 0 0 344.381 2.390 40 0 EEABRN Cc1cnc(N2CCN(c3ncnc4ccsc43)CC2)nc1C ZINC000270825537 464268127 /nfs/dbraw/zinc/26/81/27/464268127.db2.gz ZKBZQYSOFIKUOX-UHFFFAOYSA-N 0 0 326.429 2.425 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)n1cncn1 ZINC000180341461 464291841 /nfs/dbraw/zinc/29/18/41/464291841.db2.gz NOMQXYDGELFNIJ-MNOVXSKESA-N 0 0 337.786 2.027 40 0 EEABRN Cc1cc2cccnc2c(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188578264 464316226 /nfs/dbraw/zinc/31/62/26/464316226.db2.gz KEMWJNRJDHTHIV-UHFFFAOYSA-N 0 0 328.416 2.387 40 0 EEABRN C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@H](CCC(N)=O)C1 ZINC000189063849 464426719 /nfs/dbraw/zinc/42/67/19/464426719.db2.gz KUJZOLGCCWVGBO-UONOGXRCSA-N 0 0 334.468 2.217 40 0 EEABRN C[C@@H](c1nnnn1C)N1CCC(CN2CCc3ccccc32)CC1 ZINC000189269224 464466182 /nfs/dbraw/zinc/46/61/82/464466182.db2.gz FPZZTOXJRCKIGL-AWEZNQCLSA-N 0 0 326.448 2.046 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)c1F ZINC000244970162 464466289 /nfs/dbraw/zinc/46/62/89/464466289.db2.gz HMKAEJQVRQNIKA-GFCCVEGCSA-N 0 0 348.378 2.005 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCc2cncc(C)c2)n1 ZINC000190340130 464622604 /nfs/dbraw/zinc/62/26/04/464622604.db2.gz MBFWDZLVUADZRB-AWEZNQCLSA-N 0 0 332.429 2.438 40 0 EEABRN O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000175995507 464676552 /nfs/dbraw/zinc/67/65/52/464676552.db2.gz SYYHPIFQUSZSOC-ZDUSSCGKSA-N 0 0 349.232 2.110 40 0 EEABRN COCC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cccn21 ZINC000247826272 464709588 /nfs/dbraw/zinc/70/95/88/464709588.db2.gz FZCZPSJAIKGABY-OAHLLOKOSA-N 0 0 342.395 2.493 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@H](OCc2ccncc2)CCO3)nn1 ZINC000247881524 464712219 /nfs/dbraw/zinc/71/22/19/464712219.db2.gz CDCWHXNIFYBRFW-MRXNPFEDSA-N 0 0 326.400 2.135 40 0 EEABRN O=C(c1ccoc1)N1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000247895121 464713287 /nfs/dbraw/zinc/71/32/87/464713287.db2.gz ZRVPDTPITMHVLD-MRXNPFEDSA-N 0 0 335.400 2.096 40 0 EEABRN c1ccc(CN2CC3(C2)C[C@@H](CCOc2cnccn2)CCO3)nc1 ZINC000248105804 464730063 /nfs/dbraw/zinc/73/00/63/464730063.db2.gz PCMDBBVOYRKJNK-INIZCTEOSA-N 0 0 340.427 2.322 40 0 EEABRN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000275554140 464779623 /nfs/dbraw/zinc/77/96/23/464779623.db2.gz UCQFJEPRQSQJCH-DLBZAZTESA-N 0 0 330.428 2.177 40 0 EEABRN CCOc1cc([C@@H]2[C@H](C(C)=O)C(=O)C[C@](C)(O)[C@@H]2C(C)=O)ccc1O ZINC000250397769 464929034 /nfs/dbraw/zinc/92/90/34/464929034.db2.gz PQMGQTRRHVSPIP-MKXGPGLRSA-N 0 0 348.395 2.009 40 0 EEABRN CCN1CCN(C(=O)Cc2ccc(NC[C@H]3CCC=CO3)cc2)CC1 ZINC000252492272 464967848 /nfs/dbraw/zinc/96/78/48/464967848.db2.gz MHCMNYUIUJSBLH-LJQANCHMSA-N 0 0 343.471 2.498 40 0 EEABRN Cn1c(CNC(=O)[C@@](C)(O)CCc2ccccc2)nnc1C1CCC1 ZINC000252492927 464968462 /nfs/dbraw/zinc/96/84/62/464968462.db2.gz MXSGWCZQSOQXDG-IBGZPJMESA-N 0 0 342.443 2.083 40 0 EEABRN Cc1c(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c2ccccc2n1C ZINC000252497783 464969498 /nfs/dbraw/zinc/96/94/98/464969498.db2.gz QPOVKOLMYYWDAS-OAHLLOKOSA-N 0 0 345.468 2.122 40 0 EEABRN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@]2(O)CCO[C@@H]2C)c1 ZINC000252497099 464969923 /nfs/dbraw/zinc/96/99/23/464969923.db2.gz PZBFKKGYEYHRJL-IAQYHMDHSA-N 0 0 347.864 2.282 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 ZINC000253394761 464998885 /nfs/dbraw/zinc/99/88/85/464998885.db2.gz BJRFLZCALDGWRQ-VCTAVGKDSA-N 0 0 327.783 2.474 40 0 EEABRN c1nc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396361 465000520 /nfs/dbraw/zinc/00/05/20/465000520.db2.gz AJBBMKXNWHVGSB-OAHLLOKOSA-N 0 0 349.442 2.185 40 0 EEABRN Cc1nc2c(cccc2C(=O)N2CCC[C@H](Cn3cncn3)C2)o1 ZINC000253421157 465008610 /nfs/dbraw/zinc/00/86/10/465008610.db2.gz QXQLONQJMISCPJ-ZDUSSCGKSA-N 0 0 325.372 2.280 40 0 EEABRN Cc1nc([C@H]2CN(c3nc(-c4ccc(C)cc4)no3)CCO2)no1 ZINC000253426462 465011482 /nfs/dbraw/zinc/01/14/82/465011482.db2.gz QHERLVFXKKPJRQ-CYBMUJFWSA-N 0 0 327.344 2.314 40 0 EEABRN CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)ccc1C ZINC000253429220 465012451 /nfs/dbraw/zinc/01/24/51/465012451.db2.gz SJBQBQWJFAYCCZ-INIZCTEOSA-N 0 0 340.427 2.330 40 0 EEABRN O=C(CCc1ccccc1Br)N1CC[C@H](n2nccn2)C1 ZINC000253471548 465015084 /nfs/dbraw/zinc/01/50/84/465015084.db2.gz DFHBABJURHIXRE-ZDUSSCGKSA-N 0 0 349.232 2.447 40 0 EEABRN O=C(CCc1ccccc1Br)N1CC[C@@H](n2nccn2)C1 ZINC000253471545 465015363 /nfs/dbraw/zinc/01/53/63/465015363.db2.gz DFHBABJURHIXRE-CYBMUJFWSA-N 0 0 349.232 2.447 40 0 EEABRN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc[nH]n1 ZINC000330032354 465511970 /nfs/dbraw/zinc/51/19/70/465511970.db2.gz MGHNKQIZILTTQI-UHFFFAOYSA-N 0 0 338.339 2.366 40 0 EEABRN Cc1ccc(F)c(-c2cc(NC(=O)CCc3cncn3C)n[nH]2)c1 ZINC000330031862 465512515 /nfs/dbraw/zinc/51/25/15/465512515.db2.gz FELNPWZYHSFDLS-UHFFFAOYSA-N 0 0 327.363 2.829 40 0 EEABRN CCOC(=O)CC1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000299307187 465690467 /nfs/dbraw/zinc/69/04/67/465690467.db2.gz CWLFTLDFLNXBES-UHFFFAOYSA-N 0 0 333.384 2.263 40 0 EEABRN O=C(N[C@H](CO)c1ccsc1)C1CCN(CC(F)(F)F)CC1 ZINC000330762224 465794184 /nfs/dbraw/zinc/79/41/84/465794184.db2.gz OIXWGXOYAGGOSY-GFCCVEGCSA-N 0 0 336.379 2.172 40 0 EEABRN CC[C@@H](F)CCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21 ZINC000299817299 465888323 /nfs/dbraw/zinc/88/83/23/465888323.db2.gz SNFDFYWXKBFWTO-DOMZBBRYSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN O=C(NC[C@H]1CCCn2ccnc21)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000332841818 466576586 /nfs/dbraw/zinc/57/65/86/466576586.db2.gz LHEYQTUHDYWZQM-UKRRQHHQSA-N 0 0 328.420 2.420 40 0 EEABRN CCCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000408600841 466681851 /nfs/dbraw/zinc/68/18/51/466681851.db2.gz CTEDTTCJIJHXEE-UHFFFAOYSA-N 0 0 342.461 2.012 40 0 EEABRN CCOC(=O)N1CCN(C(=O)/C=C/c2c(OC)cccc2OC)CC1 ZINC000409248131 466686740 /nfs/dbraw/zinc/68/67/40/466686740.db2.gz GEYDENPJPURHCR-CMDGGOBGSA-N 0 0 348.399 2.018 40 0 EEABRN C[C@@H](Nc1ccc2c(c1)OCC(=O)N2C)C(=O)NCc1ccccc1 ZINC000390833872 467413936 /nfs/dbraw/zinc/41/39/36/467413936.db2.gz OHHJMTCVZLMILQ-CYBMUJFWSA-N 0 0 339.395 2.159 40 0 EEABRN CC1([C@H]2CCCN(C(=O)Nc3cccc4c3OCO4)C2)OCCO1 ZINC000390833361 467414048 /nfs/dbraw/zinc/41/40/48/467414048.db2.gz GPILTTISAWNVSO-LBPRGKRZSA-N 0 0 334.372 2.422 40 0 EEABRN COc1ccc([C@H](NC(=O)Nc2cnc(N(C)C)nc2)C2CC2)cn1 ZINC000529032546 467796784 /nfs/dbraw/zinc/79/67/84/467796784.db2.gz VIBXWDWDFHGBFR-OAHLLOKOSA-N 0 0 342.403 2.219 40 0 EEABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)C4(F)CC4)C3)C2)n1 ZINC000575403050 468140566 /nfs/dbraw/zinc/14/05/66/468140566.db2.gz HZJOJNDVYLZKHI-CQSZACIVSA-N 0 0 336.432 2.495 40 0 EEABRN Cc1cc(CN2CCn3c(COc4cccnc4)nnc3[C@H]2C)no1 ZINC000585097291 468965133 /nfs/dbraw/zinc/96/51/33/468965133.db2.gz JUDJDNSBTYIEBK-CYBMUJFWSA-N 0 0 340.387 2.125 40 0 EEABRN CN(C)C(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 ZINC000585104282 468971591 /nfs/dbraw/zinc/97/15/91/468971591.db2.gz GPAVGZYBZDIEEI-OAHLLOKOSA-N 0 0 333.432 2.403 40 0 EEABRN O=C(CC1CC1)NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21 ZINC000585112475 468975024 /nfs/dbraw/zinc/97/50/24/468975024.db2.gz RNJMZNHNCUINOE-QGZVFWFLSA-N 0 0 339.443 2.141 40 0 EEABRN CNC(=O)C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111901 468975191 /nfs/dbraw/zinc/97/51/91/468975191.db2.gz ISXKPNBNLSPCHL-CYBMUJFWSA-N 0 0 336.798 2.369 40 0 EEABRN Cn1cc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)c(C2CC2)n1 ZINC000585141664 468991229 /nfs/dbraw/zinc/99/12/29/468991229.db2.gz WUPLKKGLUSOYRD-UHFFFAOYSA-N 0 0 338.375 2.045 40 0 EEABRN O=C(Cc1ccncc1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585275346 468999437 /nfs/dbraw/zinc/99/94/37/468999437.db2.gz AUZOJAVYQUJBQV-IBGZPJMESA-N 0 0 344.386 2.196 40 0 EEABRN Cc1ccccc1OC[C@]1(O)COCCN(C(=O)CC2CCC2)C1 ZINC000585276142 469000716 /nfs/dbraw/zinc/00/07/16/469000716.db2.gz MKXABRTXNNGWTP-LJQANCHMSA-N 0 0 333.428 2.154 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000585277866 469002959 /nfs/dbraw/zinc/00/29/59/469002959.db2.gz WWJPOANTQUSYSI-HXUWFJFHSA-N 0 0 347.455 2.423 40 0 EEABRN Cc1ccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]cn3)C[C@@H]2O)cc1 ZINC000585288982 469009491 /nfs/dbraw/zinc/00/94/91/469009491.db2.gz MATNVKWOAKVUHP-LLHDCHNASA-N 0 0 325.412 2.183 40 0 EEABRN Cc1cncc(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000189690873 534681793 /nfs/dbraw/zinc/68/17/93/534681793.db2.gz CLSBVOVUYGJCNX-OAHLLOKOSA-N 0 0 331.445 2.123 40 0 EEABRN O=C(NCc1ccncc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000020612641 534690295 /nfs/dbraw/zinc/69/02/95/534690295.db2.gz UHRYAGZGVXFOMK-UHFFFAOYSA-N 0 0 329.425 2.312 40 0 EEABRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC2)cc1 ZINC000041777567 523313829 /nfs/dbraw/zinc/31/38/29/523313829.db2.gz VIWQLSUACACDEV-UHFFFAOYSA-N 0 0 332.429 2.299 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCc1cccc(C)c1)CC2 ZINC000162670886 528146994 /nfs/dbraw/zinc/14/69/94/528146994.db2.gz YRMODROWOSQCGE-ROUUACIJSA-N 0 0 346.471 2.499 40 0 EEABRN CCOc1ccc(C(=O)N[C@@H](C)CC)cc1S(=O)(=O)NC(C)C ZINC000408700133 528402975 /nfs/dbraw/zinc/40/29/75/528402975.db2.gz BDBCGJQYSIBCFQ-LBPRGKRZSA-N 0 0 342.461 2.300 40 0 EEABRN CCCNc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000192518695 528567823 /nfs/dbraw/zinc/56/78/23/528567823.db2.gz KCQXAHQZDKQBPQ-HNNXBMFYSA-N 0 0 330.432 2.071 40 0 EEABRN CN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccccn2)cn1 ZINC000257276948 536053753 /nfs/dbraw/zinc/05/37/53/536053753.db2.gz NVVNZEUOCOAUDE-UHFFFAOYSA-N 0 0 349.438 2.301 40 0 EEABRN CNc1cnc(C[C@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1 ZINC000257241109 536421724 /nfs/dbraw/zinc/42/17/24/536421724.db2.gz HWQOBGFDLIIMRQ-HNNXBMFYSA-N 0 0 339.443 2.327 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CCN2C)cc1 ZINC000257202163 536944298 /nfs/dbraw/zinc/94/42/98/536944298.db2.gz AKSWZXDIPDHRTJ-GOSISDBHSA-N 0 0 342.443 2.024 40 0 EEABRN CC(=O)N[C@H](C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000888256793 687352903 /nfs/dbraw/zinc/35/29/03/687352903.db2.gz MZDAMMFYNNPVFD-MRVPVSSYSA-N 0 0 326.809 2.109 40 0 EEABRN Cn1cc(Br)c(C(=O)N2CCCc3ncccc32)cc1=O ZINC000929691515 1206495200 /nfs/dbraw/zinc/49/52/00/1206495200.db2.gz YYRXMOYXSJCKPH-UHFFFAOYSA-N 0 0 348.200 2.136 40 0 EEABRN COc1ccccc1-c1nc2sc(=Cc3ccccc3)c(=O)n2n1 ZINC000254713488 1217301154 /nfs/dbraw/zinc/30/11/54/1217301154.db2.gz DIKFPIXJMKCDJU-UHFFFAOYSA-N 0 0 335.388 2.374 40 0 EEABRN CC(C)(C)OC(=O)N1[C@@H](COCc2ccccc2)COS1(=O)=O ZINC001542984414 1124118964 /nfs/dbraw/zinc/11/89/64/1124118964.db2.gz SBDHXVMICOENAK-ZDUSSCGKSA-N 0 0 343.401 2.084 40 0 EEABRN O=C(N[C@@H]1CC12CCOCC2)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001548451736 1124294370 /nfs/dbraw/zinc/29/43/70/1124294370.db2.gz AZJRCLDLOHJNQK-HLIPFELVSA-N 0 0 342.439 2.165 40 0 EEABRN CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004475811 210197071 /nfs/dbraw/zinc/19/70/71/210197071.db2.gz SRVYYXPARCVBPE-LZDSYCOUSA-N 0 0 342.395 2.055 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1 ZINC000004410879 210188582 /nfs/dbraw/zinc/18/85/82/210188582.db2.gz FSWLTVCGFNLBSC-UHFFFAOYSA-N 0 0 340.314 2.447 40 0 aggregator EEABRN Cc1nnsc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225684304 282371056 /nfs/dbraw/zinc/37/10/56/282371056.db2.gz OJUJBRMRKHSIIU-HNNXBMFYSA-N 0 0 328.441 2.119 40 0 EEABRN CCN1C(=O)[C@@H]2[C@@H](C(=O)N(C)C2(c2ccccc2)c2ccccc2)C1=O ZINC000101628421 219147339 /nfs/dbraw/zinc/14/73/39/219147339.db2.gz XIWFSNBYZJUVSZ-IRXDYDNUSA-N 0 0 348.402 2.023 40 0 EEABRN CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 ZINC000003903746 210089046 /nfs/dbraw/zinc/08/90/46/210089046.db2.gz GWAMOFMDAYLAKA-OAFZBRQQSA-N 0 0 333.428 2.300 40 0 EEABRN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC[C@@H]3CCCO3)c12 ZINC000044896568 213665452 /nfs/dbraw/zinc/66/54/52/213665452.db2.gz GWXKYNPHOITPGG-LBPRGKRZSA-N 0 0 340.383 2.446 40 0 EEABRN C[C@@H]1CCC[C@H](C)C12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O ZINC000043646041 213591388 /nfs/dbraw/zinc/59/13/88/213591388.db2.gz SUJKIRIBNZEYFA-FRLFKWGPSA-N 0 0 346.427 2.173 40 0 EEABRN O=C1CO[C@H]2CN(Cc3ccccc3F)C[C@H]2N1c1ccccc1 ZINC000067897050 215245451 /nfs/dbraw/zinc/24/54/51/215245451.db2.gz DGQDSHAKOJDZLF-MSOLQXFVSA-N 0 0 326.371 2.442 40 0 biogenic,in-vitro EEABRN O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1cnccn1 ZINC000012087073 295842563 /nfs/dbraw/zinc/84/25/63/295842563.db2.gz AZCWISNLPUHFJL-AWEZNQCLSA-N 0 0 325.368 2.279 40 0 EEABRN O=C(CCc1ccncc1)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000181461826 234193881 /nfs/dbraw/zinc/19/38/81/234193881.db2.gz AGCOCLJJQCKBDC-CYBMUJFWSA-N 0 0 345.349 2.214 40 0 EEABRN Cc1nscc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000182350210 234567544 /nfs/dbraw/zinc/56/75/44/234567544.db2.gz LXIDZRBTVYKSSA-CQSZACIVSA-N 0 0 345.424 2.301 40 0 EEABRN O=C(Nc1nc(-c2cccnc2)cs1)c1cnc2ccccn2c1=O ZINC000040040365 213254245 /nfs/dbraw/zinc/25/42/45/213254245.db2.gz KOJRMCPCAODBES-UHFFFAOYSA-N 0 0 349.375 2.465 40 0 EEABRN CC(C)NC(=O)COc1nn(C)c2ccc(Br)cc12 ZINC000226754513 535271670 /nfs/dbraw/zinc/27/16/70/535271670.db2.gz WDXZQIVJTIUNNV-UHFFFAOYSA-N 0 0 326.194 2.239 40 0 EEABRN Cc1csc([C@@H](C)CNC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000186808539 236028365 /nfs/dbraw/zinc/02/83/65/236028365.db2.gz GKYYZLACTHZAPI-WCQYABFASA-N 0 0 334.449 2.193 40 0 EEABRN Cn1cnnc1-c1cncc(NCc2cnn(-c3ccccc3)n2)c1 ZINC000093110614 237043102 /nfs/dbraw/zinc/04/31/02/237043102.db2.gz DSFVXYWRLJNCLI-UHFFFAOYSA-N 0 0 332.371 2.070 40 0 EEABRN C[C@H](C[S@@](C)=O)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000189904003 237383419 /nfs/dbraw/zinc/38/34/19/237383419.db2.gz GXEZJBMZYVOOTM-ZQJOYCHOSA-N 0 0 330.400 2.406 40 0 EEABRN CCn1ncc(C(=O)N2CCC(C(=O)c3nccs3)CC2)c1C ZINC000072334839 216156113 /nfs/dbraw/zinc/15/61/13/216156113.db2.gz PZIUYUUREMVUPQ-UHFFFAOYSA-N 0 0 332.429 2.403 40 0 EEABRN Cc1ccsc1CN1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000072335542 216157304 /nfs/dbraw/zinc/15/73/04/216157304.db2.gz PMLFRAOFMHIBDU-UHFFFAOYSA-N 0 0 330.457 2.298 40 0 EEABRN Cc1nc([C@@H]2CN(c3ccccc3)CCO2)cc(N2CCOCC2)n1 ZINC000072387703 216186300 /nfs/dbraw/zinc/18/63/00/216186300.db2.gz PWSFGKYKYJZOCF-SFHVURJKSA-N 0 0 340.427 2.200 40 0 EEABRN O=C(C[C@@H]1CCCCO1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393790 216192208 /nfs/dbraw/zinc/19/22/08/216192208.db2.gz GVLMKVOZKFQHGA-ZDUSSCGKSA-N 0 0 329.404 2.018 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395668 216192422 /nfs/dbraw/zinc/19/24/22/216192422.db2.gz FDHNSLMXSIYHIH-FOUMNBMASA-N 0 0 339.390 2.163 40 0 EEABRN Cn1cc(C[C@@H]2CC(=O)N(Cc3cccc4cccnc43)C2=O)cn1 ZINC000072675583 216291571 /nfs/dbraw/zinc/29/15/71/216291571.db2.gz NFKLHVNXTCUGAP-MRXNPFEDSA-N 0 0 334.379 2.086 40 0 EEABRN O=C(CN1CCN(CC2CC2)c2ccccc21)NCc1ccccn1 ZINC000072696430 216295914 /nfs/dbraw/zinc/29/59/14/216295914.db2.gz NJQNATMHASFFBV-UHFFFAOYSA-N 0 0 336.439 2.434 40 0 EEABRN C[C@@H](CCc1ccccc1F)C(=O)NCCN1C(=O)CCCC1=O ZINC000073123494 216351889 /nfs/dbraw/zinc/35/18/89/216351889.db2.gz WRILCMHHRSIOSV-ZDUSSCGKSA-N 0 0 334.391 2.050 40 0 EEABRN O=C(NCC(F)(F)CO)Nc1c(F)cc(F)cc1Br ZINC000192285511 239628726 /nfs/dbraw/zinc/62/87/26/239628726.db2.gz CZDXKXFZFOUZEV-UHFFFAOYSA-N 0 0 345.090 2.476 40 0 EEABRN O=C(N[C@H]1CCC[C@@H](C2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000074653844 216505759 /nfs/dbraw/zinc/50/57/59/216505759.db2.gz FBEYBSUBIHLMQW-CVEARBPZSA-N 0 0 332.448 2.471 40 0 EEABRN O=C(NC[C@@](O)(c1cccs1)C1CC1)[C@@H]1COc2ccccc2O1 ZINC000075155291 216587034 /nfs/dbraw/zinc/58/70/34/216587034.db2.gz ZGIDQMVAEXIQQL-YJBOKZPZSA-N 0 0 345.420 2.302 40 0 EEABRN CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)C3CC3)CCO2)n1 ZINC000193955639 240376221 /nfs/dbraw/zinc/37/62/21/240376221.db2.gz KVLHBCVGZJYXBI-LLVKDONJSA-N 0 0 330.475 2.306 40 0 EEABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1cccnc1)cn2C ZINC000022237139 212284027 /nfs/dbraw/zinc/28/40/27/212284027.db2.gz HLDXLTGFLFNDBT-UHFFFAOYSA-N 0 0 337.379 2.262 40 0 EEABRN Cc1n[nH]c(C)c1CCc1nc(CC(=O)Nc2ccccc2)no1 ZINC000195569963 241018048 /nfs/dbraw/zinc/01/80/48/241018048.db2.gz USTPEPXWHPVUQD-UHFFFAOYSA-N 0 0 325.372 2.376 40 0 EEABRN COCCS(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000195578271 241024985 /nfs/dbraw/zinc/02/49/85/241024985.db2.gz YLTQUOXWGXVICH-UHFFFAOYSA-N 0 0 326.187 2.285 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218483049 241327182 /nfs/dbraw/zinc/32/71/82/241327182.db2.gz AISZBNKRPXIXAP-DYEKYZERSA-N 0 0 347.889 2.159 40 0 EEABRN CN(Cc1nnc(N)s1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222641063 241538915 /nfs/dbraw/zinc/53/89/15/241538915.db2.gz ACUIEAWCYGLKHX-UHFFFAOYSA-N 0 0 334.426 2.094 40 0 EEABRN COc1ccc([C@H](C)NC(=O)c2cnc3sccn3c2=O)cc1 ZINC000223036468 241594377 /nfs/dbraw/zinc/59/43/77/241594377.db2.gz JOBBAVJUMJYQSS-JTQLQIEISA-N 0 0 329.381 2.256 40 0 EEABRN Cc1cc(CNC(=O)c2ccc(C)c(C)c2)nc(N2CCOCC2)n1 ZINC000224224624 241742048 /nfs/dbraw/zinc/74/20/48/241742048.db2.gz IYQRVKMBPFQFAF-UHFFFAOYSA-N 0 0 340.427 2.168 40 0 EEABRN CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 ZINC000225878914 242067847 /nfs/dbraw/zinc/06/78/47/242067847.db2.gz BTYIIHTXGKJVJS-UHFFFAOYSA-N 0 0 345.428 2.022 40 0 EEABRN CC[C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225949819 242078564 /nfs/dbraw/zinc/07/85/64/242078564.db2.gz RWYPPEYYSHVIME-GXFFZTMASA-N 0 0 332.853 2.235 40 0 EEABRN Cc1nc(CNC(=O)COc2cccc3c2NC(=O)CC3)cs1 ZINC000227158790 242122988 /nfs/dbraw/zinc/12/29/88/242122988.db2.gz LCTDBLFFNRXVQA-UHFFFAOYSA-N 0 0 331.397 2.031 40 0 EEABRN Cc1noc([C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2c2ccccc2)n1 ZINC000240104287 242965932 /nfs/dbraw/zinc/96/59/32/242965932.db2.gz UOONWJMAOSDWLZ-HUUCEWRRSA-N 0 0 333.413 2.053 40 0 EEABRN O=C(Cn1ccc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000241810029 243004149 /nfs/dbraw/zinc/00/41/49/243004149.db2.gz SCONXGJWPAEMFL-IAGOWNOFSA-N 0 0 326.396 2.172 40 0 EEABRN Cc1ccc(C(=O)N2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000241969546 243007202 /nfs/dbraw/zinc/00/72/02/243007202.db2.gz UXJGWEXPSSLODT-MRXNPFEDSA-N 0 0 341.411 2.026 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000247891180 243476254 /nfs/dbraw/zinc/47/62/54/243476254.db2.gz YPVSVDQCDRJQLK-LLVKDONJSA-N 0 0 333.438 2.317 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)c1 ZINC000253630325 244041451 /nfs/dbraw/zinc/04/14/51/244041451.db2.gz DPGCFRSLQVKWRB-CYBMUJFWSA-N 0 0 327.384 2.195 40 0 EEABRN Cc1cc(C2CCN(C(=O)[C@@H]3CCCCO3)CC2)nc2ccnn21 ZINC000257204460 244131421 /nfs/dbraw/zinc/13/14/21/244131421.db2.gz AUSFQKMTCVFEOT-INIZCTEOSA-N 0 0 328.416 2.313 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@@H](c2ccncn2)C1 ZINC000257202403 244124025 /nfs/dbraw/zinc/12/40/25/244124025.db2.gz ALQYHAHHAHIAOV-CYBMUJFWSA-N 0 0 325.368 2.268 40 0 EEABRN CC(=O)N[C@@]1(C)C[C@@H](c2ccccc2O)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257202390 244125153 /nfs/dbraw/zinc/12/51/53/244125153.db2.gz ALOSDJVJURETIN-QTUASDBPSA-N 0 0 331.412 2.444 40 0 EEABRN Cc1cncc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c1 ZINC000257208809 244144561 /nfs/dbraw/zinc/14/45/61/244144561.db2.gz BNQZKOHTDHFQGA-MRXNPFEDSA-N 0 0 326.400 2.065 40 0 EEABRN CCn1nccc1-c1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ccn1 ZINC000257216277 244166597 /nfs/dbraw/zinc/16/65/97/244166597.db2.gz CTVMLZVDXBAGGT-HNNXBMFYSA-N 0 0 348.472 2.179 40 0 EEABRN CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O ZINC000257225454 244197768 /nfs/dbraw/zinc/19/77/68/244197768.db2.gz FGGVOXFPBNEYGA-BFYDXBDKSA-N 0 0 331.416 2.033 40 0 EEABRN Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCCN2CCC(N)=O)n1 ZINC000257226096 244200612 /nfs/dbraw/zinc/20/06/12/244200612.db2.gz FJDOYVVSJKXQAR-HNNXBMFYSA-N 0 0 343.431 2.459 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 ZINC000257231317 244212565 /nfs/dbraw/zinc/21/25/65/244212565.db2.gz GGDNPZVADKAVJJ-AWEZNQCLSA-N 0 0 340.427 2.338 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)CCO2)n1 ZINC000257231951 244216166 /nfs/dbraw/zinc/21/61/66/244216166.db2.gz GIUYNDJZIPOIOX-MRXNPFEDSA-N 0 0 339.351 2.038 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC(c2cnccn2)CC1 ZINC000257219940 244182702 /nfs/dbraw/zinc/18/27/02/244182702.db2.gz DIXRIEPQFCRVTN-UHFFFAOYSA-N 0 0 337.427 2.492 40 0 EEABRN CCc1noc(C)c1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257220966 244184394 /nfs/dbraw/zinc/18/43/94/244184394.db2.gz DMZQEAADNUQOKM-GFCCVEGCSA-N 0 0 330.388 2.159 40 0 EEABRN Cc1cccc(N2CCC[C@H](NC(=O)Cn3cc(Cl)cn3)C2)n1 ZINC000257237345 244231471 /nfs/dbraw/zinc/23/14/71/244231471.db2.gz HGBJVWOLQKKQBQ-AWEZNQCLSA-N 0 0 333.823 2.025 40 0 EEABRN CCc1c(C)scc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000020191634 212109349 /nfs/dbraw/zinc/10/93/49/212109349.db2.gz XAZJCNCNXKPLES-DJBIQUGXSA-N 0 0 330.409 2.071 40 0 EEABRN Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000257250828 244269001 /nfs/dbraw/zinc/26/90/01/244269001.db2.gz JODPDDISCXFRCL-CQSZACIVSA-N 0 0 348.410 2.292 40 0 EEABRN CC(C)n1nnnc1CN1CCN(c2nc3ccccc3s2)CC1 ZINC000020121498 212104206 /nfs/dbraw/zinc/10/42/06/212104206.db2.gz FPZPEMDUUGAGIJ-UHFFFAOYSA-N 0 0 343.460 2.186 40 0 EEABRN Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)s1 ZINC000257256828 244284467 /nfs/dbraw/zinc/28/44/67/244284467.db2.gz KNBDDBDPKSRNND-JFIYKMOQSA-N 0 0 346.452 2.471 40 0 EEABRN Cc1cnc(Nc2nccnc2[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000257258136 244287064 /nfs/dbraw/zinc/28/70/64/244287064.db2.gz KSMRNPMINWNAOK-JTQLQIEISA-N 0 0 339.446 2.082 40 0 EEABRN Cc1ncc(-c2nccnc2C[C@@H]2CCCN(c3ccncn3)C2)n1C ZINC000257266301 244361772 /nfs/dbraw/zinc/36/17/72/244361772.db2.gz MCIZUECQSZBFKE-HNNXBMFYSA-N 0 0 349.442 2.435 40 0 EEABRN O=C(CCc1cccnc1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257266595 244364827 /nfs/dbraw/zinc/36/48/27/244364827.db2.gz MDQUOJXKVJPOQB-OAHLLOKOSA-N 0 0 326.400 2.015 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2cncc(C)n2)C1 ZINC000257268769 244370572 /nfs/dbraw/zinc/37/05/72/244370572.db2.gz MNCRNUZXHMCTOS-HNNXBMFYSA-N 0 0 327.432 2.464 40 0 EEABRN Cc1nc(C)c(CC(=O)Nc2ccccc2Br)c(=O)[nH]1 ZINC000019937417 212087953 /nfs/dbraw/zinc/08/79/53/212087953.db2.gz FRXBDPRCRTWZFF-UHFFFAOYSA-N 0 0 336.189 2.330 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1 ZINC000257276053 244392612 /nfs/dbraw/zinc/39/26/12/244392612.db2.gz NSESFAVEUGRUEF-GOSISDBHSA-N 0 0 336.395 2.490 40 0 EEABRN CNc1cc(C)nc([C@@H]2COCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257303638 244469660 /nfs/dbraw/zinc/46/96/60/244469660.db2.gz SIAKLUQPYMUXGC-FDMDGMSGSA-N 0 0 338.411 2.440 40 0 EEABRN CC(C)n1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000257309868 244487422 /nfs/dbraw/zinc/48/74/22/244487422.db2.gz UCSKVXMDHUFYTC-OAHLLOKOSA-N 0 0 348.472 2.350 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@H]2c2cncc(N(C)C)n2)cs1 ZINC000257310238 244490052 /nfs/dbraw/zinc/49/00/52/244490052.db2.gz UEIKVZJEAKTRRM-AWEZNQCLSA-N 0 0 331.445 2.214 40 0 EEABRN Cc1nc2cc(C(=O)N3CC(C(=O)N4CCCCCC4)C3)ccc2[nH]1 ZINC000019747451 212061604 /nfs/dbraw/zinc/06/16/04/212061604.db2.gz VIMNRCCDCDCTCZ-UHFFFAOYSA-N 0 0 340.427 2.346 40 0 EEABRN Cc1ncsc1-c1nnc(CNC(=O)c2ccc3c(c2)OCO3)o1 ZINC000019563279 212044018 /nfs/dbraw/zinc/04/40/18/212044018.db2.gz UDUOLRSOSVKZCH-UHFFFAOYSA-N 0 0 344.352 2.160 40 0 EEABRN COc1ccc([C@H](C)NC(=O)c2cnc(N(C)C)nc2C)cc1F ZINC000019552747 212041680 /nfs/dbraw/zinc/04/16/80/212041680.db2.gz IXQAVGMPPPJYOU-JTQLQIEISA-N 0 0 332.379 2.490 40 0 EEABRN CCc1ccccc1Nc1noc2c1CN(C(=O)CNC(C)=O)CC2 ZINC000019523059 212037277 /nfs/dbraw/zinc/03/72/77/212037277.db2.gz CNTOMCNZEUMDSB-UHFFFAOYSA-N 0 0 342.399 2.001 40 0 EEABRN CCC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 ZINC000019498538 212033873 /nfs/dbraw/zinc/03/38/73/212033873.db2.gz GVYOEBVBENFVBP-UHFFFAOYSA-N 0 0 340.431 2.116 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000077920784 216999036 /nfs/dbraw/zinc/99/90/36/216999036.db2.gz CIFYVUHGIDLSAP-INIZCTEOSA-N 0 0 328.359 2.207 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000081706985 284268036 /nfs/dbraw/zinc/26/80/36/284268036.db2.gz SOZPMNQTKDDPDY-MSOLQXFVSA-N 0 0 337.354 2.400 40 0 EEABRN O=C(c1cccc(-n2cccn2)c1)N1CCN(c2nccs2)CC1 ZINC000019331787 212016937 /nfs/dbraw/zinc/01/69/37/212016937.db2.gz UDISWCVOHLPDBK-UHFFFAOYSA-N 0 0 339.424 2.291 40 0 EEABRN COc1ccc(OC[C@H](C)NC(=O)c2cnn3cc(C)cnc23)cc1 ZINC000019239324 212008722 /nfs/dbraw/zinc/00/87/22/212008722.db2.gz JOYNMXXBIAGEBA-ZDUSSCGKSA-N 0 0 340.383 2.244 40 0 EEABRN Cc1ccc2occ(CN3CCc4c(nc(C)[nH]c4=O)C3)c(=O)c2c1 ZINC000019219835 212005169 /nfs/dbraw/zinc/00/51/69/212005169.db2.gz JVMMDHYQUCGGQD-UHFFFAOYSA-N 0 0 337.379 2.051 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)SCc2nnnn2-c2ccccc2)on1 ZINC000078555645 217075166 /nfs/dbraw/zinc/07/51/66/217075166.db2.gz TZEVWZOPIHELTQ-LLVKDONJSA-N 0 0 344.400 2.219 40 0 EEABRN Cc1nn(C)c(C)c1/C=C/C(=O)N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000078556477 217076790 /nfs/dbraw/zinc/07/67/90/217076790.db2.gz XDXQIFKDLMEAKY-ZHACJKMWSA-N 0 0 347.440 2.206 40 0 EEABRN Cc1nc(CN(C)C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cs1 ZINC000078603092 217084280 /nfs/dbraw/zinc/08/42/80/217084280.db2.gz TUTNUIAMUFVUMA-LBPRGKRZSA-N 0 0 341.502 2.358 40 0 EEABRN COc1ccc(Cc2nnc(NC(=O)NC[C@H]3CCOC3)s2)cc1 ZINC000078604839 217085664 /nfs/dbraw/zinc/08/56/64/217085664.db2.gz DIZSWVCJSDGZFF-GFCCVEGCSA-N 0 0 348.428 2.296 40 0 EEABRN CCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl ZINC000257338707 284308068 /nfs/dbraw/zinc/30/80/68/284308068.db2.gz YYPIDLQWJZSYMB-CJNGLKHVSA-N 0 0 338.835 2.354 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000078928965 217150806 /nfs/dbraw/zinc/15/08/06/217150806.db2.gz ATUNROVAYXDPLG-ZFWWWQNUSA-N 0 0 326.444 2.353 40 0 EEABRN Cc1nc(CN2CCN(C(=O)CC(C)(C)c3ccccc3)CC2)no1 ZINC000079001472 217170674 /nfs/dbraw/zinc/17/06/74/217170674.db2.gz QJKLWIDXUBUVMV-UHFFFAOYSA-N 0 0 342.443 2.390 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000079039178 217179323 /nfs/dbraw/zinc/17/93/23/217179323.db2.gz FCWTWXMIVJMHHN-GDBMZVCRSA-N 0 0 332.448 2.157 40 0 EEABRN NC(=O)c1csc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 ZINC000079050463 217181800 /nfs/dbraw/zinc/18/18/00/217181800.db2.gz SGOWAZULLYOGPR-CQSZACIVSA-N 0 0 345.424 2.063 40 0 EEABRN Cc1nonc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000079359818 217215011 /nfs/dbraw/zinc/21/50/11/217215011.db2.gz IKCVJCMMDIWBMM-WCQYABFASA-N 0 0 334.763 2.190 40 0 EEABRN Cc1cc(C)n(CC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)n1 ZINC000079363167 217216616 /nfs/dbraw/zinc/21/66/16/217216616.db2.gz FREUMBUXQAHGGP-HNNXBMFYSA-N 0 0 336.386 2.197 40 0 EEABRN O=C([O-])C[N@@H+]1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079414004 217222044 /nfs/dbraw/zinc/22/20/44/217222044.db2.gz GTPOMGCPALDCQA-MRXNPFEDSA-N 0 0 332.400 2.337 40 0 EEABRN CC(C)C[C@@H](NC(=O)c1cc(F)ccc1F)C(=O)Nc1cc[nH]n1 ZINC000080322731 217298069 /nfs/dbraw/zinc/29/80/69/217298069.db2.gz SQTJKRBTWOKKOA-CYBMUJFWSA-N 0 0 336.342 2.471 40 0 EEABRN O=C(c1ccncn1)N1C[C@H](OCC2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096040933 296275054 /nfs/dbraw/zinc/27/50/54/296275054.db2.gz SWGOXZTYUNRVIS-IKGGRYGDSA-N 0 0 331.416 2.055 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccnc3)n2)c1 ZINC000012407183 211370696 /nfs/dbraw/zinc/37/06/96/211370696.db2.gz DVFIXUKKNQENKU-KRWDZBQOSA-N 0 0 348.410 2.348 40 0 EEABRN Cc1cc2c(cc1C)C(=O)NC[C@@H](C(=O)NCc1cccc(F)c1)O2 ZINC000012235611 211326376 /nfs/dbraw/zinc/32/63/76/211326376.db2.gz MELLBQGJXUJXGL-KRWDZBQOSA-N 0 0 342.370 2.250 40 0 EEABRN CCC[C@@H](NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200065 211319237 /nfs/dbraw/zinc/31/92/37/211319237.db2.gz RFURRMRDCSYDKW-GHMZBOCLSA-N 0 0 337.445 2.424 40 0 EEABRN Cc1nnsc1C(=O)N1CCC[C@H](n2nnc3cc(F)ccc32)C1 ZINC000012184834 211311777 /nfs/dbraw/zinc/31/17/77/211311777.db2.gz MTOYJAXNMOTDNZ-NSHDSACASA-N 0 0 346.391 2.208 40 0 EEABRN COc1ccc([C@@H]2C[C@H](OC(=O)c3cscn3)C(=O)N2C)cc1 ZINC000012156168 211309819 /nfs/dbraw/zinc/30/98/19/211309819.db2.gz VMMVDJGYUBJKHM-KBPBESRZSA-N 0 0 332.381 2.281 40 0 EEABRN O=C(c1ccc(-n2cccc2)cc1O)N1CCn2c(nnc2C2CC2)C1 ZINC000012117466 211296168 /nfs/dbraw/zinc/29/61/68/211296168.db2.gz IYSAFEMJKBUWNJ-UHFFFAOYSA-N 0 0 349.394 2.308 40 0 EEABRN CCc1ccc2nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc(C)c2c1 ZINC000009936617 211134945 /nfs/dbraw/zinc/13/49/45/211134945.db2.gz SGHIJITZBCHHQJ-UHFFFAOYSA-N 0 0 339.399 2.171 40 0 EEABRN O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000009225474 211054525 /nfs/dbraw/zinc/05/45/25/211054525.db2.gz VWBDEWVUXHTTKL-MELADBBJSA-N 0 0 339.798 2.207 40 0 EEABRN O=C(CCc1ccccn1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000095393866 218326073 /nfs/dbraw/zinc/32/60/73/218326073.db2.gz IJPOIWDOSTXXRN-SFHVURJKSA-N 0 0 337.423 2.020 40 0 EEABRN CCc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)C[C@H]2C)n(C)n1 ZINC000095401127 218335845 /nfs/dbraw/zinc/33/58/45/218335845.db2.gz IVBGPQHXGPAFQU-YPMHNXCESA-N 0 0 346.456 2.387 40 0 EEABRN CCOC(=O)c1c(C)oc2ncn(Cc3nc(C)cs3)c(=O)c21 ZINC000095418401 218357261 /nfs/dbraw/zinc/35/72/61/218357261.db2.gz LKHSMJSPWCPGLC-UHFFFAOYSA-N 0 0 333.369 2.288 40 0 EEABRN C[C@@H]1CCO[C@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000095426796 218369087 /nfs/dbraw/zinc/36/90/87/218369087.db2.gz RBBSSCQXSQUGAY-ZWNOBZJWSA-N 0 0 331.338 2.444 40 0 EEABRN CC(C)C(=O)NCCCNC(=O)NCc1ccnc2ccccc12 ZINC000095440297 218384701 /nfs/dbraw/zinc/38/47/01/218384701.db2.gz OBBIPSBPRJOLMY-UHFFFAOYSA-N 0 0 328.416 2.196 40 0 EEABRN CNC(=O)[C@H](C)CN(C)c1nc2ccccc2nc1N1CCCC1 ZINC000095449414 218393797 /nfs/dbraw/zinc/39/37/97/218393797.db2.gz HKWNNCRZCKYTPF-CYBMUJFWSA-N 0 0 327.432 2.048 40 0 EEABRN Nc1ncc(C(=O)NCc2cccnc2OCC(F)F)cc1Cl ZINC000095450729 218395494 /nfs/dbraw/zinc/39/54/94/218395494.db2.gz HXAQSFRNLCHDLN-UHFFFAOYSA-N 0 0 342.733 2.286 40 0 EEABRN O=C(Cc1ccco1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107851 218600718 /nfs/dbraw/zinc/60/07/18/218600718.db2.gz DHHUSXGMMASWKT-QAPCUYQASA-N 0 0 328.368 2.056 40 0 EEABRN O=C(c1cccs1)N1CC[C@@H]2CO[C@@H](CNc3ncccn3)[C@@H]2C1 ZINC000096185535 218649953 /nfs/dbraw/zinc/64/99/53/218649953.db2.gz IHMULLRPNXXZFZ-MCIONIFRSA-N 0 0 344.440 2.127 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096209469 218685607 /nfs/dbraw/zinc/68/56/07/218685607.db2.gz QMTJBJKRAORIJA-KSSFIOAISA-N 0 0 349.406 2.439 40 0 EEABRN O=C(C1CC=CC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096223315 218699348 /nfs/dbraw/zinc/69/93/48/218699348.db2.gz JIBSZHXXFYCPMM-CRAIPNDOSA-N 0 0 346.406 2.144 40 0 EEABRN O=C(c1cc[nH]n1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226280 218701894 /nfs/dbraw/zinc/70/18/94/218701894.db2.gz DPAAVYJVOBRCKL-GOSISDBHSA-N 0 0 344.390 2.060 40 0 EEABRN O=C(CC1CC1)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096227785 218704338 /nfs/dbraw/zinc/70/43/38/218704338.db2.gz CIXJBFHFTYZSSV-KUHUBIRLSA-N 0 0 342.395 2.393 40 0 EEABRN O=C(COc1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096378282 218746661 /nfs/dbraw/zinc/74/66/61/218746661.db2.gz ISALMWHKRDNRIP-UHFFFAOYSA-N 0 0 337.441 2.024 40 0 EEABRN O=S1(=O)CC[C@H](CNc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000096404808 218755136 /nfs/dbraw/zinc/75/51/36/218755136.db2.gz UAQFHPURFJSKBQ-SECBINFHSA-N 0 0 327.793 2.237 40 0 EEABRN Cc1noc(C)c1CN(C)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000096408925 218761383 /nfs/dbraw/zinc/76/13/83/218761383.db2.gz QZODHIMRSVYHEY-XMMPIXPASA-N 0 0 349.456 2.382 40 0 EEABRN O=C(NCc1ccsc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096417634 218779606 /nfs/dbraw/zinc/77/96/06/218779606.db2.gz VYXHDUZSAHOJJX-UHFFFAOYSA-N 0 0 331.323 2.084 40 0 EEABRN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000096418610 218781645 /nfs/dbraw/zinc/78/16/45/218781645.db2.gz CUAKGLAIHRCTAI-JTQLQIEISA-N 0 0 345.390 2.343 40 0 EEABRN COCCc1nnc(SCc2nc(-c3ccco3)oc2C)n1N ZINC000096430390 218803772 /nfs/dbraw/zinc/80/37/72/218803772.db2.gz IMBXGDPFNIYSLG-UHFFFAOYSA-N 0 0 335.389 2.030 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)Nc1nc2c(s1)COCC2 ZINC000096434988 218812499 /nfs/dbraw/zinc/81/24/99/218812499.db2.gz DBQXSDHPURZARB-UHFFFAOYSA-N 0 0 335.433 2.390 40 0 EEABRN CC(C)n1cc(Br)cc1C(=O)OC[C@H]1CCC(=O)N1 ZINC000096443993 218825404 /nfs/dbraw/zinc/82/54/04/218825404.db2.gz WCHVJKOTHLXOGP-SNVBAGLBSA-N 0 0 329.194 2.267 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(C)(C)C ZINC000408702179 533044610 /nfs/dbraw/zinc/04/46/10/533044610.db2.gz KTTYAKJCTHFLNC-UHFFFAOYSA-N 0 0 340.445 2.008 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3oc2=O)cc1 ZINC000005556415 210487903 /nfs/dbraw/zinc/48/79/03/210487903.db2.gz DPFGXAWHYGKIOU-UHFFFAOYSA-N 0 0 325.324 2.192 40 0 EEABRN NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000096456597 218841736 /nfs/dbraw/zinc/84/17/36/218841736.db2.gz MNPHZQJSCLTDHN-OAHLLOKOSA-N 0 0 343.814 2.448 40 0 EEABRN CC[C@@]1(C)CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000097238021 219003400 /nfs/dbraw/zinc/00/34/00/219003400.db2.gz QGGDQBIDYJUTRV-KRWDZBQOSA-N 0 0 329.404 2.323 40 0 EEABRN CC[C@]1(c2ccc(C)cc2)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000097377985 219018865 /nfs/dbraw/zinc/01/88/65/219018865.db2.gz SZUKIGROGCVSEL-IUODEOHRSA-N 0 0 329.318 2.325 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)NCCOC)[C@@H]1c1ccccc1Cl ZINC000257210550 285158589 /nfs/dbraw/zinc/15/85/89/285158589.db2.gz BVDGQVQEVZBVSL-CJNGLKHVSA-N 0 0 338.835 2.402 40 0 EEABRN C=Cc1ccc(C(=O)Nc2c(C(=O)OC)c[nH]c2C(=O)OC)cc1 ZINC000330032114 258002638 /nfs/dbraw/zinc/00/26/38/258002638.db2.gz IOBJRNCWYYQDQA-UHFFFAOYSA-N 0 0 328.324 2.483 40 0 EEABRN CCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2ncn(CC3CC3)c21 ZINC000096060344 286153095 /nfs/dbraw/zinc/15/30/95/286153095.db2.gz CZNYQUHOBQJYFY-HNNXBMFYSA-N 0 0 332.448 2.445 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cccn2C)Cc2cn(CC3CC3)nc21 ZINC000096198166 286181167 /nfs/dbraw/zinc/18/11/67/286181167.db2.gz ZHTAZOQTUAKYAR-MRXNPFEDSA-N 0 0 342.443 2.408 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000072334692 286664946 /nfs/dbraw/zinc/66/49/46/286664946.db2.gz ZGMPZACGSLANMX-AWEZNQCLSA-N 0 0 332.429 2.068 40 0 EEABRN Cc1nc(CN(C)C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)no1 ZINC000291973992 275359776 /nfs/dbraw/zinc/35/97/76/275359776.db2.gz TVMHRLAFYWGSIC-LBPRGKRZSA-N 0 0 329.404 2.282 40 0 EEABRN COc1cc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)ncn1 ZINC000097957571 277825006 /nfs/dbraw/zinc/82/50/06/277825006.db2.gz AVJFDMGZJSFZBG-HNNXBMFYSA-N 0 0 338.411 2.128 40 0 EEABRN C[C@@H]1Oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2NC1=O ZINC000252501931 279063257 /nfs/dbraw/zinc/06/32/57/279063257.db2.gz ULZBOYPOVZNFLA-VIFPVBQESA-N 0 0 336.344 2.346 40 0 EEABRN Cc1onc2c1c(C)nn(CN1CCC[C@@H](C(F)(F)F)C1)c2=O ZINC000096403277 279280699 /nfs/dbraw/zinc/28/06/99/279280699.db2.gz YBSSBLXWKGWQJE-SNVBAGLBSA-N 0 0 330.310 2.233 40 0 EEABRN Cn1cccc1C(=O)N1CCc2onc(COc3ccccn3)c2C1 ZINC000096085100 279368512 /nfs/dbraw/zinc/36/85/12/279368512.db2.gz QHQUSKXQPGTBSX-UHFFFAOYSA-N 0 0 338.367 2.186 40 0 EEABRN CCSC1=NC2=NC(C)=C(C(N)=O)[C@@H](c3ccc(Cl)cc3)N2N1 ZINC000000151873 280035007 /nfs/dbraw/zinc/03/50/07/280035007.db2.gz RXMGESYCDNICLK-GFCCVEGCSA-N 0 0 349.847 2.439 40 0 EEABRN CC1(C)CC[C@@H](CNC(=O)N2CCSC3(CCOCC3)C2)O1 ZINC000188710912 281105900 /nfs/dbraw/zinc/10/59/00/281105900.db2.gz BZEAZPBJXCYNJW-ZDUSSCGKSA-N 0 0 328.478 2.252 40 0 EEABRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CC(C)(C)C)C1 ZINC000096244481 293289800 /nfs/dbraw/zinc/28/98/00/293289800.db2.gz LZTJCZLSAFAZHY-IBGZPJMESA-N 0 0 346.475 2.288 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)CCc2ccc(F)cc2)cc(=O)[nH]1 ZINC000257242350 293348043 /nfs/dbraw/zinc/34/80/43/293348043.db2.gz ICBHNYUIDFOHDF-MRXNPFEDSA-N 0 0 345.374 2.162 40 0 EEABRN Cn1cccc1C(=O)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042546 294379248 /nfs/dbraw/zinc/37/92/48/294379248.db2.gz XVSKPGYIQAXKDQ-NXHRZFHOSA-N 0 0 341.411 2.009 40 0 EEABRN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCN(C)c3ccccc32)cn1 ZINC000253432734 302940132 /nfs/dbraw/zinc/94/01/32/302940132.db2.gz NGHJEABKJMOOMY-MAUKXSAKSA-N 0 0 340.427 2.371 40 0 EEABRN Cc1ccc(C(=O)NC2CCN(C(=O)c3cnnc(C)c3)CC2)s1 ZINC000329912540 311710236 /nfs/dbraw/zinc/71/02/36/311710236.db2.gz WXWREKDKUBOCIU-UHFFFAOYSA-N 0 0 344.440 2.190 40 0 EEABRN Cn1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)nn1 ZINC000331626017 311881629 /nfs/dbraw/zinc/88/16/29/311881629.db2.gz PCCXDPRHJNOLSF-FZMZJTMJSA-N 0 0 326.322 2.142 40 0 EEABRN Cc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000333115025 312094869 /nfs/dbraw/zinc/09/48/69/312094869.db2.gz TTYMWMKDYHXUIU-UHFFFAOYSA-N 0 0 339.848 2.478 40 0 EEABRN Cc1c(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnn1C ZINC000333462347 312150940 /nfs/dbraw/zinc/15/09/40/312150940.db2.gz ZGZKDPJTTKLXEY-CYBMUJFWSA-N 0 0 335.795 2.382 40 0 EEABRN Cc1cnn(Cc2cc(C(=O)Nc3nncn3-c3ccccc3)no2)c1 ZINC000096493754 442143752 /nfs/dbraw/zinc/14/37/52/442143752.db2.gz AESUVGNDWPOLFU-UHFFFAOYSA-N 0 0 349.354 2.061 40 0 EEABRN Cc1nc(-c2ccccn2)nc(N2CCN(CC(C)C)C(=O)C2)c1C ZINC000547708201 318314417 /nfs/dbraw/zinc/31/44/17/318314417.db2.gz ZTRSNZXWIJNWTR-UHFFFAOYSA-N 0 0 339.443 2.460 40 0 EEABRN O=C(Nc1ccc(Cn2cncn2)cc1)c1ccccc1-n1ccnn1 ZINC000097371871 323322199 /nfs/dbraw/zinc/32/21/99/323322199.db2.gz NSQXGNAZQMILES-UHFFFAOYSA-N 0 0 345.366 2.159 40 0 EEABRN CC(C)Cc1nc(C(=O)NC2(c3ncon3)CCOCC2)cs1 ZINC000097378197 323322382 /nfs/dbraw/zinc/32/23/82/323322382.db2.gz WUFBINNDHLTVBU-UHFFFAOYSA-N 0 0 336.417 2.160 40 0 EEABRN O=C(NCCc1ccc(F)cc1F)c1cc(N2CCOCC2)ccn1 ZINC000130879249 323328879 /nfs/dbraw/zinc/32/88/79/323328879.db2.gz ANFSWBCZHAKXEG-UHFFFAOYSA-N 0 0 347.365 2.169 40 0 EEABRN CC[C@H](O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000156279868 323333082 /nfs/dbraw/zinc/33/30/82/323333082.db2.gz YNXZGINEMBQSAB-KBPBESRZSA-N 0 0 340.493 2.310 40 0 EEABRN O=C(c1cnc2ccccc2n1)N1CCC(Oc2cnccn2)CC1 ZINC000085471878 462549922 /nfs/dbraw/zinc/54/99/22/462549922.db2.gz IBXGUBHKDDRSQW-UHFFFAOYSA-N 0 0 335.367 2.103 40 0 EEABRN COc1ccc(CNC(=O)CN2C(=O)COc3ccc(C)cc32)cc1 ZINC000001362108 462579963 /nfs/dbraw/zinc/57/99/63/462579963.db2.gz QCUSBINAEGICHW-UHFFFAOYSA-N 0 0 340.379 2.045 40 0 EEABRN Nc1ncnc(N)c1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000001750830 462586566 /nfs/dbraw/zinc/58/65/66/462586566.db2.gz PUNJIWFWNJWFPA-UHFFFAOYSA-N 0 0 333.351 2.124 40 0 EEABRN COc1ccc(-n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccco3)nn2)cc1 ZINC000087423643 462607153 /nfs/dbraw/zinc/60/71/53/462607153.db2.gz IFWLBHDMHXMYGM-HZPDHXFCSA-N 0 0 338.367 2.289 40 0 EEABRN CCOC(=O)c1ccc(Cl)c(N2C[C@@H](C(=O)OCC)CC2=O)c1 ZINC000045953296 462634027 /nfs/dbraw/zinc/63/40/27/462634027.db2.gz AQAFNUBAZFMPPY-NSHDSACASA-N 0 0 339.775 2.433 40 0 EEABRN CCn1nc(C)c(CNC(=O)c2nnc3ccc(Cl)cc3n2)c1C ZINC000046088523 462646604 /nfs/dbraw/zinc/64/66/04/462646604.db2.gz CZHOIVSJDKFUAC-UHFFFAOYSA-N 0 0 344.806 2.441 40 0 EEABRN Cc1cc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)n(C)n1 ZINC000046088974 462646631 /nfs/dbraw/zinc/64/66/31/462646631.db2.gz FADYOHWQMJTRTQ-UHFFFAOYSA-N 0 0 344.400 2.028 40 0 EEABRN CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OC(C)C ZINC000005523568 462662247 /nfs/dbraw/zinc/66/22/47/462662247.db2.gz CNXCJHGYDWERND-OAHLLOKOSA-N 0 0 333.457 2.497 40 0 EEABRN Cc1ccc(C)c(NC(=O)C[C@@H]([NH2+]Cc2cccnc2)C(=O)[O-])c1 ZINC000005812167 462669446 /nfs/dbraw/zinc/66/94/46/462669446.db2.gz MRGLKWYMYQFKCE-MRXNPFEDSA-N 0 0 327.384 2.270 40 0 EEABRN Cc1cc(C)n2nc(C(=O)/N=c3\sc4ccccc4n3C)nc2n1 ZINC000006332689 462683493 /nfs/dbraw/zinc/68/34/93/462683493.db2.gz UTDGHVHSMWBGHE-MNDPQUGUSA-N 0 0 338.396 2.035 40 0 EEABRN CCOC(=O)COc1cc(/C=C(\C#N)C(=O)OCC)ccc1OC ZINC000006954764 462713769 /nfs/dbraw/zinc/71/37/69/462713769.db2.gz UUABPAOSYZTTDK-MDWZMJQESA-N 0 0 333.340 2.107 40 0 EEABRN O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCOC[C@H]1C1CC1 ZINC000089890156 462735061 /nfs/dbraw/zinc/73/50/61/462735061.db2.gz JNYRGTIORGDMNE-SFHVURJKSA-N 0 0 340.427 2.252 40 0 EEABRN Cc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)cc1C ZINC000008476980 462785526 /nfs/dbraw/zinc/78/55/26/462785526.db2.gz NPTIVWCFTMZPIR-UHFFFAOYSA-N 0 0 336.395 2.273 40 0 EEABRN COc1ccc(Cl)c2c1N(C(=O)CS(=O)(=O)C(C)C)CCC2 ZINC000076177829 462817894 /nfs/dbraw/zinc/81/78/94/462817894.db2.gz FJHMLTXOWUPIIO-UHFFFAOYSA-N 0 0 345.848 2.451 40 0 EEABRN Cc1cccc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 ZINC000010447764 462819555 /nfs/dbraw/zinc/81/95/55/462819555.db2.gz CPQOYKJYSAZCNZ-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN CCN1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161644 462843275 /nfs/dbraw/zinc/84/32/75/462843275.db2.gz AULKNMMGDAKYIW-OCCSQVGLSA-N 0 0 337.786 2.163 40 0 EEABRN CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000012365263 462851783 /nfs/dbraw/zinc/85/17/83/462851783.db2.gz VLTQLSJRCIBUEV-LLVKDONJSA-N 0 0 342.848 2.255 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000012989879 462879156 /nfs/dbraw/zinc/87/91/56/462879156.db2.gz GSFIYFSGZRFRPV-UHFFFAOYSA-N 0 0 333.365 2.098 40 0 EEABRN Cc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c(C)c1 ZINC000013669315 462897702 /nfs/dbraw/zinc/89/77/02/462897702.db2.gz RYCRXWUNLSJPJT-AWEZNQCLSA-N 0 0 338.473 2.328 40 0 EEABRN Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)[C@H]2C(=O)N1CCCC1 ZINC000091690434 462899263 /nfs/dbraw/zinc/89/92/63/462899263.db2.gz VVCMZPNKLAUDCK-CQSZACIVSA-N 0 0 332.404 2.199 40 0 EEABRN COc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000015349055 462948441 /nfs/dbraw/zinc/94/84/41/462948441.db2.gz UJBQLARUQIZAQI-UHFFFAOYSA-N 0 0 348.424 2.222 40 0 EEABRN CCN(C[C@@H]1COc2ccccc2O1)c1cc(-n2ccnc2)ncn1 ZINC000077188451 462949629 /nfs/dbraw/zinc/94/96/29/462949629.db2.gz OWQPKPIEXBDSKM-CQSZACIVSA-N 0 0 337.383 2.329 40 0 EEABRN COc1cccc(CN2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)n1 ZINC000077266542 462960588 /nfs/dbraw/zinc/96/05/88/462960588.db2.gz JPCONFIXRIJGID-QGZVFWFLSA-N 0 0 338.411 2.217 40 0 biogenic,in-vitro EEABRN CNC(=O)c1cccc(CCNC(=O)N[C@@H](C)c2csc(C)n2)c1 ZINC000077586310 463009236 /nfs/dbraw/zinc/00/92/36/463009236.db2.gz AMWVPUFQKSJXQN-NSHDSACASA-N 0 0 346.456 2.414 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@]2(CCOC2)C1 ZINC000156606272 463046836 /nfs/dbraw/zinc/04/68/36/463046836.db2.gz YEOCTKLWAQEVLT-IBGZPJMESA-N 0 0 340.427 2.237 40 0 EEABRN Cc1cc(Br)cc(C(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000134935091 463098771 /nfs/dbraw/zinc/09/87/71/463098771.db2.gz YFHSSMOXSSHLNJ-HNNXBMFYSA-N 0 0 342.233 2.276 40 0 EEABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000024839763 463100082 /nfs/dbraw/zinc/10/00/82/463100082.db2.gz YBAZGIWZGCQDOL-CQSZACIVSA-N 0 0 344.436 2.285 40 0 EEABRN CCCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1OCCC ZINC000095945860 463111819 /nfs/dbraw/zinc/11/18/19/463111819.db2.gz UJBJQTQYXFPAGP-ZDUSSCGKSA-N 0 0 345.461 2.313 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000078700802 463141848 /nfs/dbraw/zinc/14/18/48/463141848.db2.gz OPRPBYARVPCINC-UHFFFAOYSA-N 0 0 332.356 2.356 40 0 EEABRN CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039394 463143768 /nfs/dbraw/zinc/14/37/68/463143768.db2.gz ZPSCMASOQVVTFS-MJGOQNOKSA-N 0 0 347.411 2.463 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096039104 463144233 /nfs/dbraw/zinc/14/42/33/463144233.db2.gz UFLARVHVCZDRTF-HOTGVXAUSA-N 0 0 343.420 2.032 40 0 EEABRN O=C(c1cccnc1)N1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040692 463144841 /nfs/dbraw/zinc/14/48/41/463144841.db2.gz DMSMUENQAYZNTF-JZXOWHBKSA-N 0 0 338.411 2.208 40 0 EEABRN c1ccc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096041643 463146243 /nfs/dbraw/zinc/14/62/43/463146243.db2.gz BGAWXLGMFHUBJC-IPMKNSEASA-N 0 0 332.444 2.257 40 0 EEABRN C[C@H]1Oc2ccccc2N(CCc2nc(-c3ccccn3)no2)C1=O ZINC000078773880 463147578 /nfs/dbraw/zinc/14/75/78/463147578.db2.gz CGSDFXQUSYOUCS-GFCCVEGCSA-N 0 0 336.351 2.488 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042172 463147638 /nfs/dbraw/zinc/14/76/38/463147638.db2.gz UGLSOLBZNJPNIU-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN CCn1nnc2c1[C@H](COC)CN(C(=O)/C=C/c1cccs1)C2 ZINC000096045531 463149219 /nfs/dbraw/zinc/14/92/19/463149219.db2.gz BNQUETPUVQLBCH-SYTKJHMZSA-N 0 0 332.429 2.145 40 0 EEABRN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(c1ncccn1)C2 ZINC000096050632 463154754 /nfs/dbraw/zinc/15/47/54/463154754.db2.gz HMXOUYSQCCQNDC-SFHVURJKSA-N 0 0 326.375 2.245 40 0 EEABRN O=C(c1ccncc1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050744 463155028 /nfs/dbraw/zinc/15/50/28/463155028.db2.gz RRFSTVDAJBXFPV-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN COc1ccc(CN2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096060715 463159620 /nfs/dbraw/zinc/15/96/20/463159620.db2.gz DRKWDWKEEDTEPN-INIZCTEOSA-N 0 0 342.443 2.350 40 0 EEABRN Cc1nc(CN2CCC[C@]3(C(=O)[O-])C[N@H+](CC4CC4)C[C@@H]3C2)cs1 ZINC000096064238 463162852 /nfs/dbraw/zinc/16/28/52/463162852.db2.gz DQBVFVCDOKELSM-YJBOKZPZSA-N 0 0 349.500 2.460 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccco2)n1 ZINC000096064734 463163417 /nfs/dbraw/zinc/16/34/17/463163417.db2.gz PSRMWGUJDPBSQZ-HZPDHXFCSA-N 0 0 339.395 2.389 40 0 EEABRN c1cnc(N2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)nc1 ZINC000096073596 463167422 /nfs/dbraw/zinc/16/74/22/463167422.db2.gz HSRPGTUBNZIRHQ-AEFFLSMTSA-N 0 0 326.400 2.216 40 0 EEABRN Fc1cccnc1N1CCC[C@@]2(CN(c3ccccn3)CCO2)C1 ZINC000096074787 463167608 /nfs/dbraw/zinc/16/76/08/463167608.db2.gz DQIQXAOVEPMUND-GOSISDBHSA-N 0 0 328.391 2.492 40 0 EEABRN c1csc(CN2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)n1 ZINC000096072388 463167859 /nfs/dbraw/zinc/16/78/59/463167859.db2.gz GVYBBARLPLXVHB-WBVHZDCISA-N 0 0 331.441 2.488 40 0 EEABRN Cc1nc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096074840 463169159 /nfs/dbraw/zinc/16/91/59/463169159.db2.gz KJJPDIDRFGAKOC-KRWDZBQOSA-N 0 0 345.472 2.113 40 0 EEABRN O=C1[C@@H]2CCN(Cc3nccs3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107139 463175564 /nfs/dbraw/zinc/17/55/64/463175564.db2.gz URCIUFZGTPAXFG-KGLIPLIRSA-N 0 0 349.481 2.459 40 0 EEABRN O=C(c1ccno1)N1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112041 463180099 /nfs/dbraw/zinc/18/00/99/463180099.db2.gz XWSHZDAMAMPHDE-YGRLFVJLSA-N 0 0 348.309 2.069 40 0 biogenic,in-vitro EEABRN CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)C3CCC3)ccc2NC1=O ZINC000096182258 463194248 /nfs/dbraw/zinc/19/42/48/463194248.db2.gz JRHGAALPDOGLDF-KRWDZBQOSA-N 0 0 332.356 2.078 40 0 EEABRN Cc1cccc2sc(NC(=O)CCNC(=O)c3ccnn3C)nc21 ZINC000096192637 463201816 /nfs/dbraw/zinc/20/18/16/463201816.db2.gz MUSUGHFFUKEIMB-UHFFFAOYSA-N 0 0 343.412 2.097 40 0 EEABRN CN(C)C(=O)c1cnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000096198652 463204598 /nfs/dbraw/zinc/20/45/98/463204598.db2.gz SSMHTQHAKKDIMB-UHFFFAOYSA-N 0 0 336.798 2.393 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 ZINC000096218457 463215057 /nfs/dbraw/zinc/21/50/57/463215057.db2.gz WUVOAGQGQGLZSX-CYBMUJFWSA-N 0 0 345.428 2.111 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096219617 463216928 /nfs/dbraw/zinc/21/69/28/463216928.db2.gz RQGQASIMXBBUAC-CZUORRHYSA-N 0 0 348.403 2.163 40 0 EEABRN CC(C)Nc1ccnc([C@@H]2COCCN2C(=O)Cc2ccccc2)n1 ZINC000096219949 463218168 /nfs/dbraw/zinc/21/81/68/463218168.db2.gz BISMQFAZBFQBEP-INIZCTEOSA-N 0 0 340.427 2.440 40 0 EEABRN C[C@H](c1nc(-c2ccncc2)no1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000028224074 463219440 /nfs/dbraw/zinc/21/94/40/463219440.db2.gz DFWOHBVGYDXMMF-WXHSDQCUSA-N 0 0 326.356 2.368 40 0 EEABRN Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096226107 463221463 /nfs/dbraw/zinc/22/14/63/463221463.db2.gz HYRQBHFXKOWIKP-SFHVURJKSA-N 0 0 340.383 2.343 40 0 EEABRN Cc1occc1C(=O)N1CCc2ncnc(N3CCCC3)c2CC1 ZINC000096255448 463229120 /nfs/dbraw/zinc/22/91/20/463229120.db2.gz SLOFJDCCVZBHFS-UHFFFAOYSA-N 0 0 326.400 2.219 40 0 EEABRN Cc1cccc(O[C@H]2COCCN(C(=O)COc3ccccc3)C2)n1 ZINC000096296466 463233939 /nfs/dbraw/zinc/23/39/39/463233939.db2.gz KJYGLASBGORZOI-QGZVFWFLSA-N 0 0 342.395 2.075 40 0 biogenic,in-vitro EEABRN CCn1cc(NC(=O)C2CCN(C(=O)c3scnc3C)CC2)cn1 ZINC000096403179 463238382 /nfs/dbraw/zinc/23/83/82/463238382.db2.gz UOMLTXZOOVQCJG-UHFFFAOYSA-N 0 0 347.444 2.159 40 0 EEABRN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1nnnn1-c1ccccc1 ZINC000096406936 463240366 /nfs/dbraw/zinc/24/03/66/463240366.db2.gz BEBWIOPCLSXBPL-LLVKDONJSA-N 0 0 333.355 2.030 40 0 EEABRN O=C(CCc1cccnc1)NC[C@H](O)c1ccc(OC(F)F)cc1 ZINC000096409670 463242530 /nfs/dbraw/zinc/24/25/30/463242530.db2.gz AAEHNVZQDYXCEH-HNNXBMFYSA-N 0 0 336.338 2.465 40 0 EEABRN CCCS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000096411068 463243888 /nfs/dbraw/zinc/24/38/88/463243888.db2.gz DFDMWMMYIUYCHE-GFCCVEGCSA-N 0 0 341.326 2.370 40 0 EEABRN COc1ccc(CNC(=O)CNC(=O)[C@H](C)c2ccsc2)cc1 ZINC000096413802 463245893 /nfs/dbraw/zinc/24/58/93/463245893.db2.gz CQXCYLSQXJNOKW-GFCCVEGCSA-N 0 0 332.425 2.293 40 0 EEABRN CSC[C@H](C)N(C)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000096413380 463245898 /nfs/dbraw/zinc/24/58/98/463245898.db2.gz BZFSLUGNVHQHBJ-ZETCQYMHSA-N 0 0 334.239 2.353 40 0 EEABRN CN(C)C(=O)CN1CCCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000096414267 463247375 /nfs/dbraw/zinc/24/73/75/463247375.db2.gz UPYJQUCAXOXSHU-IZZDOVSWSA-N 0 0 343.471 2.103 40 0 EEABRN CS(=O)(=O)CCCNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000096415359 463248260 /nfs/dbraw/zinc/24/82/60/463248260.db2.gz OZGNFEQIBMHQHZ-CVEARBPZSA-N 0 0 338.473 2.132 40 0 EEABRN CC(C)c1ccc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 ZINC000096417601 463249585 /nfs/dbraw/zinc/24/95/85/463249585.db2.gz SOUKMFLNCWHTIX-AWEZNQCLSA-N 0 0 338.473 2.181 40 0 EEABRN Cc1ccc(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)s1 ZINC000096417177 463249604 /nfs/dbraw/zinc/24/96/04/463249604.db2.gz CNQWVQZIQJOXSG-CYBMUJFWSA-N 0 0 342.420 2.443 40 0 EEABRN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)NC[C@@H]1CCOC1 ZINC000096419888 463251437 /nfs/dbraw/zinc/25/14/37/463251437.db2.gz LSLPXVATBPZVKW-CABZTGNLSA-N 0 0 333.215 2.363 40 0 EEABRN CC(=O)N[C@H](CC(=O)NCc1ccc(C)n1C)c1ccc(F)cc1F ZINC000096423560 463253645 /nfs/dbraw/zinc/25/36/45/463253645.db2.gz USGWJLGIQXIYON-QGZVFWFLSA-N 0 0 349.381 2.495 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C12CCC2 ZINC000096423400 463253830 /nfs/dbraw/zinc/25/38/30/463253830.db2.gz PXIUAAMFFHFQSJ-HOTGVXAUSA-N 0 0 344.459 2.157 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)c1C ZINC000096423539 463254320 /nfs/dbraw/zinc/25/43/20/463254320.db2.gz XRBWLVYSECGOBP-LBPRGKRZSA-N 0 0 337.445 2.096 40 0 EEABRN CCn1cc(S(=O)(=O)NC[C@@H](OC)c2cccc(Cl)c2)cn1 ZINC000096428748 463259124 /nfs/dbraw/zinc/25/91/24/463259124.db2.gz GFWHHSXCYZJOBT-CQSZACIVSA-N 0 0 343.836 2.222 40 0 EEABRN Cn1cccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)c1=O ZINC000096435127 463263760 /nfs/dbraw/zinc/26/37/60/463263760.db2.gz OBYULIAJEGCUAR-INIZCTEOSA-N 0 0 341.411 2.456 40 0 EEABRN C[C@@H](NC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096439061 463266142 /nfs/dbraw/zinc/26/61/42/463266142.db2.gz SMXYTRFZPLRSJD-SNVBAGLBSA-N 0 0 328.409 2.390 40 0 EEABRN O=C(NCCSc1ccccc1)N1CCN(Cc2ccon2)CC1 ZINC000096437440 463266272 /nfs/dbraw/zinc/26/62/72/463266272.db2.gz PTDJOMSBGLQUEW-UHFFFAOYSA-N 0 0 346.456 2.294 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)S1 ZINC000096443746 463268401 /nfs/dbraw/zinc/26/84/01/463268401.db2.gz MMYTZHMNMDYIHE-SNVBAGLBSA-N 0 0 336.486 2.270 40 0 EEABRN COc1cc(CN2CCN(c3ccnc(C)n3)CC2)cc(OC)c1 ZINC000096447484 463270705 /nfs/dbraw/zinc/27/07/05/463270705.db2.gz YRFVZWYYKVZGBX-UHFFFAOYSA-N 0 0 328.416 2.124 40 0 EEABRN CC(C)S(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000096447976 463271008 /nfs/dbraw/zinc/27/10/08/463271008.db2.gz BFSYRVXBXXUMHQ-UHFFFAOYSA-N 0 0 338.882 2.030 40 0 EEABRN C[S@](=O)C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000096449707 463271790 /nfs/dbraw/zinc/27/17/90/463271790.db2.gz GWNGCYFXZGKASZ-QMHKHESXSA-N 0 0 327.409 2.413 40 0 EEABRN C[C@](NC(=O)[C@H]1CC1(Cl)Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000096454837 463274020 /nfs/dbraw/zinc/27/40/20/463274020.db2.gz SRKJPEQYPDMJNV-BXKDBHETSA-N 0 0 335.618 2.351 40 0 EEABRN CN(C)[C@H](CNC(=O)N1CCN(c2cccs2)CC1)c1ccco1 ZINC000096462663 463277730 /nfs/dbraw/zinc/27/77/30/463277730.db2.gz MAMPTEATBXPXOE-CQSZACIVSA-N 0 0 348.472 2.476 40 0 EEABRN COCCC1(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)CCC1 ZINC000096471734 463279267 /nfs/dbraw/zinc/27/92/67/463279267.db2.gz ONXQDSPEPUNPDG-UHFFFAOYSA-N 0 0 348.418 2.317 40 0 EEABRN Cn1nnc2cc(C(=O)N3CCO[C@@H](c4cccs4)C3)ccc21 ZINC000096473896 463280103 /nfs/dbraw/zinc/28/01/03/463280103.db2.gz OQCLLZZDJANGLT-CQSZACIVSA-N 0 0 328.397 2.244 40 0 EEABRN Cc1cccc(-c2cncc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000096481368 463281575 /nfs/dbraw/zinc/28/15/75/463281575.db2.gz AGWQLFAMXUSSLM-GOSISDBHSA-N 0 0 344.436 2.364 40 0 EEABRN Cc1cc(C(=O)NC[C@H](C)[S@@](C)=O)nn1-c1cc(C)cc(C)c1 ZINC000096495201 463289214 /nfs/dbraw/zinc/28/92/14/463289214.db2.gz HBLAELCHRJTNIS-PSLXWICFSA-N 0 0 333.457 2.294 40 0 EEABRN C[S@](=O)c1nncn1-c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000096501075 463291128 /nfs/dbraw/zinc/29/11/28/463291128.db2.gz YTQMBRVBLKBANP-HXUWFJFHSA-N 0 0 328.184 2.255 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000096658914 463294975 /nfs/dbraw/zinc/29/49/75/463294975.db2.gz DFQMLFGYDDCDNM-UHFFFAOYSA-N 0 0 348.424 2.156 40 0 EEABRN O=C(COCC(F)(F)F)OCC(=O)N1CCCc2ccccc21 ZINC000097007804 463303041 /nfs/dbraw/zinc/30/30/41/463303041.db2.gz UJGZZJFRPJTOLZ-UHFFFAOYSA-N 0 0 331.290 2.088 40 0 EEABRN COCCCCNS(=O)(=O)c1ccc(Br)cc1F ZINC000097096069 463322662 /nfs/dbraw/zinc/32/26/62/463322662.db2.gz XRUQAPLIBFXWCL-UHFFFAOYSA-N 0 0 340.214 2.293 40 0 EEABRN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCc1nc2ccccc2s1 ZINC000097104473 463325144 /nfs/dbraw/zinc/32/51/44/463325144.db2.gz VXWPNCCIUJELEO-RISCZKNCSA-N 0 0 340.470 2.326 40 0 EEABRN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103133 463325341 /nfs/dbraw/zinc/32/53/41/463325341.db2.gz VVRTVWAMOFHXJO-GFCCVEGCSA-N 0 0 348.447 2.049 40 0 EEABRN COC1(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCC1 ZINC000097235965 463352162 /nfs/dbraw/zinc/35/21/62/463352162.db2.gz UAGZKUDIMMHGKM-UHFFFAOYSA-N 0 0 332.448 2.227 40 0 EEABRN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000097235032 463352996 /nfs/dbraw/zinc/35/29/96/463352996.db2.gz VNUUHMCUVOOJHV-YQPCPPDFSA-N 0 0 330.428 2.017 40 0 EEABRN Cc1ccc([C@H](NC(=O)CS(=O)(=O)N(C)C)c2ccccc2)cc1 ZINC000097372319 463355454 /nfs/dbraw/zinc/35/54/54/463355454.db2.gz WTJCRSYTKHYAKF-GOSISDBHSA-N 0 0 346.452 2.092 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378954 463357892 /nfs/dbraw/zinc/35/78/92/463357892.db2.gz XEHRIFFJUFOPPP-OAHLLOKOSA-N 0 0 325.412 2.235 40 0 EEABRN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000145543749 463382704 /nfs/dbraw/zinc/38/27/04/463382704.db2.gz HMZKQWIRDSZAEA-UHFFFAOYSA-N 0 0 335.356 2.364 40 0 EEABRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccco1 ZINC000103628696 463405960 /nfs/dbraw/zinc/40/59/60/463405960.db2.gz WSCWNLBNEYADCN-JKIFEVAISA-N 0 0 338.356 2.072 40 0 EEABRN CS(=O)(=O)c1nsc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000036626336 463437337 /nfs/dbraw/zinc/43/73/37/463437337.db2.gz JEKCNIHMWHFPNM-UHFFFAOYSA-N 0 0 333.394 2.347 40 0 EEABRN CCCc1noc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)n1 ZINC000041123144 463468330 /nfs/dbraw/zinc/46/83/30/463468330.db2.gz LCBLVYQVMNERPW-CQSZACIVSA-N 0 0 331.420 2.242 40 0 EEABRN Cc1nc2ncnc(N3CCN(Cc4ccccc4F)CC3)c2[nH]1 ZINC000041121232 463468849 /nfs/dbraw/zinc/46/88/49/463468849.db2.gz YZOYMZYKCNUSAM-UHFFFAOYSA-N 0 0 326.379 2.123 40 0 EEABRN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)C[C@@H](C)O1 ZINC000057355134 463480838 /nfs/dbraw/zinc/48/08/38/463480838.db2.gz KHWZGWGBCAXIOS-HOPMXRPOSA-N 0 0 348.418 2.371 40 0 EEABRN Cc1c(C(=O)Nc2nnc3n2CCCC3)nnn1-c1ccc(C)cc1 ZINC000162614794 463525075 /nfs/dbraw/zinc/52/50/75/463525075.db2.gz HGUQTVBOBCOFRN-UHFFFAOYSA-N 0 0 337.387 2.064 40 0 EEABRN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000042054511 463537018 /nfs/dbraw/zinc/53/70/18/463537018.db2.gz WUFKKHYBHCRSIK-NEPJUHHUSA-N 0 0 330.384 2.439 40 0 EEABRN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000042054509 463537171 /nfs/dbraw/zinc/53/71/71/463537171.db2.gz WUFKKHYBHCRSIK-VXGBXAGGSA-N 0 0 330.384 2.439 40 0 EEABRN COc1cc(OC)cc(-n2nnnc2CN(C)[C@@H]2C=CCCC2)c1 ZINC000083248870 463544069 /nfs/dbraw/zinc/54/40/69/463544069.db2.gz MSLWAPZLHCBTGZ-CYBMUJFWSA-N 0 0 329.404 2.220 40 0 EEABRN Cn1ccc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107787456 463583568 /nfs/dbraw/zinc/58/35/68/463583568.db2.gz KKDWMJHDLYQIHP-MSOLQXFVSA-N 0 0 328.416 2.018 40 0 EEABRN Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3n(C)c2=O)c1 ZINC000058647961 463615174 /nfs/dbraw/zinc/61/51/74/463615174.db2.gz QWHKFBIAXNKABX-OAHLLOKOSA-N 0 0 326.396 2.397 40 0 EEABRN O=C(OCCN1CCCCCC1=O)c1ccc(-n2cccc2)nc1 ZINC000084693949 463623872 /nfs/dbraw/zinc/62/38/72/463623872.db2.gz VXIRGQKXTDCBPH-UHFFFAOYSA-N 0 0 327.384 2.432 40 0 EEABRN O=S(=O)(Cc1ccon1)NCCc1csc(-c2ccccc2)n1 ZINC000084953589 463638899 /nfs/dbraw/zinc/63/88/99/463638899.db2.gz INPANKCBSLYCGR-UHFFFAOYSA-N 0 0 349.437 2.460 40 0 EEABRN COc1c(C)cc(Br)cc1C(=O)N1CCN(C)CC1 ZINC000059843545 463645156 /nfs/dbraw/zinc/64/51/56/463645156.db2.gz IKBPLEMIGBESOP-UHFFFAOYSA-N 0 0 327.222 2.154 40 0 EEABRN COc1ccc(CNC(=O)COc2ccccc2)c(OC)c1OC ZINC000043748991 463655953 /nfs/dbraw/zinc/65/59/53/463655953.db2.gz BNLIOYUFVOOCQX-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN COC(=O)C[C@@]1(C(F)(F)F)CN(C(=O)OC(C)(C)C)CCO1 ZINC000256051336 463754958 /nfs/dbraw/zinc/75/49/58/463754958.db2.gz ISWBWFIRLFKDJP-LBPRGKRZSA-N 0 0 327.299 2.118 40 0 EEABRN Cn1ncc2c1nc(Cl)nc2N1CCN(c2ccccc2)CC1 ZINC000256051640 463755135 /nfs/dbraw/zinc/75/51/35/463755135.db2.gz JZMJGCGUXXXCOJ-UHFFFAOYSA-N 0 0 328.807 2.343 40 0 EEABRN Cc1c(CCC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)cnn1C ZINC000257278446 463758626 /nfs/dbraw/zinc/75/86/26/463758626.db2.gz OCHVSJHOVMIJNJ-QGZVFWFLSA-N 0 0 341.459 2.486 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)n1 ZINC000257281137 463759660 /nfs/dbraw/zinc/75/96/60/463759660.db2.gz ONUDTNDNHNWEEC-KRWDZBQOSA-N 0 0 341.459 2.367 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)on1 ZINC000257282449 463760161 /nfs/dbraw/zinc/76/01/61/463760161.db2.gz OTUWVYZKLRGQAM-CYBMUJFWSA-N 0 0 332.404 2.064 40 0 EEABRN c1cc(CC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257283045 463761242 /nfs/dbraw/zinc/76/12/42/463761242.db2.gz OWOGHJAHEJKYPC-QGZVFWFLSA-N 0 0 341.411 2.081 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c1 ZINC000257290502 463764408 /nfs/dbraw/zinc/76/44/08/463764408.db2.gz QDEYIMSVTRWAIK-IEBWSBKVSA-N 0 0 326.396 2.435 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257294549 463765692 /nfs/dbraw/zinc/76/56/92/463765692.db2.gz QUQUWCYPFNKTBT-OAHLLOKOSA-N 0 0 344.415 2.370 40 0 EEABRN COc1ccccc1CN1CCO[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257295302 463766098 /nfs/dbraw/zinc/76/60/98/463766098.db2.gz QXTYIXKHJPDTRP-QGZVFWFLSA-N 0 0 330.432 2.053 40 0 EEABRN CC(C)n1nccc1-c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257292956 463766377 /nfs/dbraw/zinc/76/63/77/463766377.db2.gz QNOYQCCNOMKVLJ-AWEZNQCLSA-N 0 0 348.472 2.350 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 ZINC000257322415 463777517 /nfs/dbraw/zinc/77/75/17/463777517.db2.gz WFWSWYSKTFDGMO-QGZVFWFLSA-N 0 0 329.375 2.457 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)cc1 ZINC000257329898 463780625 /nfs/dbraw/zinc/78/06/25/463780625.db2.gz XLYRTPKAHDBKAP-CYBMUJFWSA-N 0 0 333.413 2.059 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000257336256 463782571 /nfs/dbraw/zinc/78/25/71/463782571.db2.gz YNRMOUIZNWKEFR-ZDUSSCGKSA-N 0 0 326.400 2.327 40 0 EEABRN CCc1noc(CCC(=O)N[C@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000257338810 463784855 /nfs/dbraw/zinc/78/48/55/463784855.db2.gz YZAXOBFWRHLHOX-AWEZNQCLSA-N 0 0 343.431 2.053 40 0 EEABRN c1coc(CN2CCC[C@@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257342835 463787665 /nfs/dbraw/zinc/78/76/65/463787665.db2.gz ZQIKBUMRGRWOLR-GOSISDBHSA-N 0 0 328.416 2.239 40 0 EEABRN Cc1ccn(CC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c(=O)c1 ZINC000194811427 463933390 /nfs/dbraw/zinc/93/33/90/463933390.db2.gz ICEMJXFGHRIQHI-GJZGRUSLSA-N 0 0 346.452 2.333 40 0 EEABRN COc1ccccc1-n1ncc(C(=O)N(C)c2nncs2)c1C ZINC000194834321 463939294 /nfs/dbraw/zinc/93/92/94/463939294.db2.gz JVMKSZWAKZFZQI-UHFFFAOYSA-N 0 0 329.385 2.317 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C ZINC000195530553 464072343 /nfs/dbraw/zinc/07/23/43/464072343.db2.gz ZSZZLKGGTYAELQ-MHEQHKPTSA-N 0 0 330.494 2.133 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000195564309 464077179 /nfs/dbraw/zinc/07/71/79/464077179.db2.gz AQZAANGYLNQPRG-TZMCWYRMSA-N 0 0 346.349 2.330 40 0 EEABRN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000279332535 464088764 /nfs/dbraw/zinc/08/87/64/464088764.db2.gz AWOHRSNXVHWAGR-FZKQIMNGSA-N 0 0 348.830 2.439 40 0 EEABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222977586 464136012 /nfs/dbraw/zinc/13/60/12/464136012.db2.gz LWKKIGKORCXKFD-WMLDXEAASA-N 0 0 348.443 2.118 40 0 EEABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C ZINC000223573045 464143788 /nfs/dbraw/zinc/14/37/88/464143788.db2.gz ATTVRGIWZCHJQW-JKSUJKDBSA-N 0 0 330.457 2.002 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000225224354 464154331 /nfs/dbraw/zinc/15/43/31/464154331.db2.gz GIVQBMVBKFJBFF-VXGBXAGGSA-N 0 0 330.425 2.141 40 0 EEABRN Cc1ccc(C)n1-n1c(CN2CCCC2)nnc1CN1CCCC1 ZINC000225150935 464154711 /nfs/dbraw/zinc/15/47/11/464154711.db2.gz GJZQKYNEFWEXOR-UHFFFAOYSA-N 0 0 328.464 2.199 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NC(C)(C)Cc2ccccc2)c1 ZINC000225418073 464158664 /nfs/dbraw/zinc/15/86/64/464158664.db2.gz LIYYRUHQVZVGQU-UHFFFAOYSA-N 0 0 346.452 2.346 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000225526529 464168889 /nfs/dbraw/zinc/16/88/89/464168889.db2.gz JSXCRQAPFLSLIP-RISCZKNCSA-N 0 0 329.400 2.476 40 0 EEABRN COC(=O)[C@H](Sc1nnc(-c2cnccn2)n1C)c1ccsc1 ZINC000225572213 464171770 /nfs/dbraw/zinc/17/17/70/464171770.db2.gz RUNWDQGTGLHYSZ-LLVKDONJSA-N 0 0 347.425 2.340 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000225562977 464172451 /nfs/dbraw/zinc/17/24/51/464172451.db2.gz WKDMFLRZAASTEJ-NSHDSACASA-N 0 0 334.782 2.465 40 0 EEABRN Cc1nnsc1C(=O)Nc1cnc2cc(C(F)(F)F)nn2c1 ZINC000225571867 464172796 /nfs/dbraw/zinc/17/27/96/464172796.db2.gz KIBGDTJNNYCUSX-UHFFFAOYSA-N 0 0 328.279 2.160 40 0 EEABRN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Cc1c(C)noc1C ZINC000225711063 464182265 /nfs/dbraw/zinc/18/22/65/464182265.db2.gz SLGNZGKIEHNZOL-IBGZPJMESA-N 0 0 344.411 2.183 40 0 EEABRN Cc1nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)sc1C ZINC000173317699 464237844 /nfs/dbraw/zinc/23/78/44/464237844.db2.gz RXTCIUXZWUAHFR-KRWDZBQOSA-N 0 0 343.408 2.490 40 0 EEABRN Cc1cc(N[C@@H](C)C(=O)N2CCNC2=O)nn1-c1ccccc1Cl ZINC000188619459 464325749 /nfs/dbraw/zinc/32/57/49/464325749.db2.gz ACLVROOPBKMBHQ-NSHDSACASA-N 0 0 347.806 2.186 40 0 EEABRN CC[C@H](C(=O)[O-])[NH+]1CCN(Cc2sccc2Br)CC1 ZINC000239782444 464444285 /nfs/dbraw/zinc/44/42/85/464444285.db2.gz COQWWPMTSYBWOF-LLVKDONJSA-N 0 0 347.278 2.491 40 0 EEABRN CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000240773426 464447889 /nfs/dbraw/zinc/44/78/89/464447889.db2.gz AWKPUABWSMPQFD-UHFFFAOYSA-N 0 0 339.244 2.286 40 0 EEABRN C[C@@]1(O)CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000241132911 464450504 /nfs/dbraw/zinc/45/05/04/464450504.db2.gz JNCGAOVNWGQTDH-FUHWJXTLSA-N 0 0 338.398 2.303 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1COCCN1CC1CCC2(CC1)OCCO2 ZINC000241470619 464453404 /nfs/dbraw/zinc/45/34/04/464453404.db2.gz NWOKYMWEBAMFLD-INIZCTEOSA-N 0 0 335.448 2.333 40 0 EEABRN CN(C)c1ncc(NC(=O)N2CCN(C)c3ccccc3C2)cn1 ZINC000241684882 464455029 /nfs/dbraw/zinc/45/50/29/464455029.db2.gz QGBDLZYKBWKUMJ-UHFFFAOYSA-N 0 0 326.404 2.027 40 0 EEABRN CN([C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000245287216 464469672 /nfs/dbraw/zinc/46/96/72/464469672.db2.gz BMEBZXCXDSPNMY-RAIGVLPGSA-N 0 0 330.837 2.169 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccoc1)c1ccco1 ZINC000247489325 464684632 /nfs/dbraw/zinc/68/46/32/464684632.db2.gz LVNNOTDGGPRCMR-UXLLHSPISA-N 0 0 330.384 2.282 40 0 EEABRN O=C(c1cccnc1)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247829007 464709010 /nfs/dbraw/zinc/70/90/10/464709010.db2.gz KCTGUZIKDWCIBZ-INIZCTEOSA-N 0 0 348.468 2.225 40 0 EEABRN Cc1cccc(CO[C@@H]2CCOC3(CN(c4ncccn4)C3)C2)n1 ZINC000247859666 464710539 /nfs/dbraw/zinc/71/05/39/464710539.db2.gz FGGGLKQXYRUJMH-MRXNPFEDSA-N 0 0 326.400 2.135 40 0 EEABRN C[C@@H]1CN(C(=O)c2cccs2)CC[C@@]12CC[C@@H](C(=O)N(C)C)O2 ZINC000247973522 464719217 /nfs/dbraw/zinc/71/92/17/464719217.db2.gz HZULIKVJSQDJJT-IGCXYCKISA-N 0 0 336.457 2.236 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@H](OCC2CCOCC2)CS3)s1 ZINC000248054878 464727460 /nfs/dbraw/zinc/72/74/60/464727460.db2.gz YEPSLFLMYMPOSI-ZDUSSCGKSA-N 0 0 341.502 2.354 40 0 EEABRN CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000295356495 464800365 /nfs/dbraw/zinc/80/03/65/464800365.db2.gz OQFBCOZRYDIYRL-AWEZNQCLSA-N 0 0 335.469 2.462 40 0 EEABRN CO[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000191237515 464804828 /nfs/dbraw/zinc/80/48/28/464804828.db2.gz KMVPOYSLXAMEKY-SJORKVTESA-N 0 0 328.416 2.298 40 0 EEABRN C[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CCS1(=O)=O ZINC000192051607 464856650 /nfs/dbraw/zinc/85/66/50/464856650.db2.gz BTRKTHBOGCDYQK-CYBMUJFWSA-N 0 0 337.420 2.020 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](OCc2ccncc2)CCO3)cn1 ZINC000249692703 464904246 /nfs/dbraw/zinc/90/42/46/464904246.db2.gz MWKUIFSLRSZUTA-GOSISDBHSA-N 0 0 342.443 2.248 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)[C@@H](C)c3ccccc3)c2C)no1 ZINC000252478732 464959335 /nfs/dbraw/zinc/95/93/35/464959335.db2.gz ATXOHKQPGPVJOE-JTQLQIEISA-N 0 0 326.360 2.068 40 0 EEABRN CC(C)SCCN1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000252480304 464960460 /nfs/dbraw/zinc/96/04/60/464960460.db2.gz BZOIXJMQVYGCGZ-IRXDYDNUSA-N 0 0 341.565 2.441 40 0 EEABRN COc1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000252498949 464970891 /nfs/dbraw/zinc/97/08/91/464970891.db2.gz RRQBURVBTLTBGI-UHFFFAOYSA-N 0 0 338.367 2.194 40 0 EEABRN C[C@H](C(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F)S(C)(=O)=O ZINC000252499663 464971128 /nfs/dbraw/zinc/97/11/28/464971128.db2.gz SDSLEZAUDWMNPN-QMTHXVAHSA-N 0 0 349.374 2.282 40 0 EEABRN C[C@@H](NC(=O)NC[C@@H]1CCc2ccccc2C1)c1nnnn1C1CC1 ZINC000252509549 464975961 /nfs/dbraw/zinc/97/59/61/464975961.db2.gz YQIXFUXTMUMXTH-CHWSQXEVSA-N 0 0 340.431 2.173 40 0 EEABRN O=C1Nc2ccccc2CC[C@@H]1N1CCO[C@@H](COCC2CC2)C1 ZINC000252535769 464981571 /nfs/dbraw/zinc/98/15/71/464981571.db2.gz GVGKSTHOYNYQAX-AEFFLSMTSA-N 0 0 330.428 2.067 40 0 EEABRN CC[C@](O)(C(=O)N[C@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000253397576 465000249 /nfs/dbraw/zinc/00/02/49/465000249.db2.gz XLUHADBIYYSNLK-BFYDXBDKSA-N 0 0 341.835 2.248 40 0 EEABRN O=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000253415976 465004324 /nfs/dbraw/zinc/00/43/24/465004324.db2.gz VADCWMCEFCLNSR-ZWKOTPCHSA-N 0 0 340.427 2.282 40 0 EEABRN CC[C@H](SC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000253418346 465006329 /nfs/dbraw/zinc/00/63/29/465006329.db2.gz OJBDYMORFSFJTO-NSHDSACASA-N 0 0 345.490 2.239 40 0 EEABRN CCn1cnc2c1ncnc2N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000253421304 465008827 /nfs/dbraw/zinc/00/88/27/465008827.db2.gz UITLXHWUFOBNEJ-CQSZACIVSA-N 0 0 342.447 2.439 40 0 EEABRN C[C@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429424 465012202 /nfs/dbraw/zinc/01/22/02/465012202.db2.gz SDDMRPXJKDPFBO-AMXDTQDGSA-N 0 0 338.864 2.121 40 0 EEABRN Cc1nc(C)c(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)o1 ZINC000253433532 465015392 /nfs/dbraw/zinc/01/53/92/465015392.db2.gz YAPGMNUWUINZAH-JTQLQIEISA-N 0 0 342.321 2.499 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2cccc(C)c2)cc1 ZINC000340070593 465740924 /nfs/dbraw/zinc/74/09/24/465740924.db2.gz IUGAHOTUMCIWGH-UHFFFAOYSA-N 0 0 326.396 2.326 40 0 EEABRN C[C@@H](C(=O)N1CCOc2c(Br)cccc21)n1cncn1 ZINC000332016742 466346883 /nfs/dbraw/zinc/34/68/83/466346883.db2.gz ZAJFCSFEUALGJB-VIFPVBQESA-N 0 0 337.177 2.027 40 0 EEABRN Cc1cc(CN2Cc3cncn3[C@H](COc3ccccn3)C2)no1 ZINC000306138056 466494277 /nfs/dbraw/zinc/49/42/77/466494277.db2.gz RNWBCOGMVGACAA-INIZCTEOSA-N 0 0 325.372 2.210 40 0 EEABRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](CCC)N=2 ZINC000408731012 466683058 /nfs/dbraw/zinc/68/30/58/466683058.db2.gz IFRIHTINMIBHJA-IXJPEXDMSA-N 0 0 336.457 2.086 40 0 EEABRN CCN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000409221525 466686872 /nfs/dbraw/zinc/68/68/72/466686872.db2.gz RNTFPCKIMHKGMR-OQFOIZHKSA-N 0 0 339.145 2.090 40 0 EEABRN O=C(c1ccc(Cn2ccnc2)cc1)N1CC(OCC(F)(F)F)C1 ZINC000390830948 467412980 /nfs/dbraw/zinc/41/29/80/467412980.db2.gz OMOBHFIFRIVDMM-UHFFFAOYSA-N 0 0 339.317 2.335 40 0 EEABRN Cc1nc(C(=O)Nc2cnn(CC(N)=O)c2)c(-c2ccccc2)s1 ZINC000390834250 467414043 /nfs/dbraw/zinc/41/40/43/467414043.db2.gz VCZOFFJNEGYOLM-UHFFFAOYSA-N 0 0 341.396 2.053 40 0 EEABRN COc1ccc(C(=O)N2CCOc3ccccc3C2)cc1OCCO ZINC000390833915 467414122 /nfs/dbraw/zinc/41/41/22/467414122.db2.gz OSAKWYWQXNOIFP-UHFFFAOYSA-N 0 0 343.379 2.101 40 0 EEABRN CC(C)Oc1ccc(NC(=O)CN2CCC(C)CC2)cc1C(N)=O ZINC000390834697 467414986 /nfs/dbraw/zinc/41/49/86/467414986.db2.gz QVCGBRSZTMSBPH-UHFFFAOYSA-N 0 0 333.432 2.243 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)CC[C@@H](CN2CCCC2=O)CO3)c1 ZINC000575404118 468141867 /nfs/dbraw/zinc/14/18/67/468141867.db2.gz PZPXTUIQNAJRBN-INIZCTEOSA-N 0 0 342.439 2.239 40 0 EEABRN Cc1cncc(C(=O)N2Cc3ccnn3[C@@H](COc3ccccn3)C2)c1 ZINC000575405804 468142527 /nfs/dbraw/zinc/14/25/27/468142527.db2.gz UKCSPASWXGZRIK-QGZVFWFLSA-N 0 0 349.394 2.258 40 0 EEABRN CCN1CC[C@]2(CN(C(=O)c3ccoc3C)CC(F)(F)C2)C1=O ZINC000585093203 468963300 /nfs/dbraw/zinc/96/33/00/468963300.db2.gz JCEVBHDCDGNIJI-HNNXBMFYSA-N 0 0 326.343 2.308 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccccc1F)[C@@H]2C ZINC000585097646 468965803 /nfs/dbraw/zinc/96/58/03/468965803.db2.gz OTXRFUXETCBEJD-GFCCVEGCSA-N 0 0 332.379 2.100 40 0 EEABRN CC1(C(=O)N2CCc3[nH]nc(-c4cnn(CC5CC5)c4)c3CC2)CC1 ZINC000585110377 468973707 /nfs/dbraw/zinc/97/37/07/468973707.db2.gz MLGXZIBCUQQGFS-UHFFFAOYSA-N 0 0 339.443 2.411 40 0 EEABRN O=C(CC1CC1)NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21 ZINC000585112473 468975202 /nfs/dbraw/zinc/97/52/02/468975202.db2.gz RNJMZNHNCUINOE-KRWDZBQOSA-N 0 0 339.443 2.141 40 0 EEABRN CCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(F)cc1OC ZINC000585141572 468991431 /nfs/dbraw/zinc/99/14/31/468991431.db2.gz XMHDOLJKVRRXOK-UHFFFAOYSA-N 0 0 332.378 2.360 40 0 EEABRN CCOC(=O)c1cn(CCNc2nc3ccccc3nc2F)cn1 ZINC000585142402 468991983 /nfs/dbraw/zinc/99/19/83/468991983.db2.gz WICCCIAUXVBYGK-UHFFFAOYSA-N 0 0 329.335 2.254 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585277806 469003692 /nfs/dbraw/zinc/00/36/92/469003692.db2.gz POQDOYLNFPTJEG-GOSISDBHSA-N 0 0 347.390 2.178 40 0 EEABRN O=C(c1ccnnc1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585279250 469005319 /nfs/dbraw/zinc/00/53/19/469005319.db2.gz YHXYLTAMQPRLGA-HOTGVXAUSA-N 0 0 331.803 2.338 40 0 EEABRN Cc1cc(NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc(C(N)=O)c1 ZINC000626578112 469651862 /nfs/dbraw/zinc/65/18/62/469651862.db2.gz LXCPOJQSGCUBHB-BXKDBHETSA-N 0 0 345.321 2.277 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000096425984 517883572 /nfs/dbraw/zinc/88/35/72/517883572.db2.gz MQCASTHFGYMATQ-UKRRQHHQSA-N 0 0 326.400 2.135 40 0 EEABRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@@H]1C=C[C@@]2(CO)O1 ZINC000169293326 534837670 /nfs/dbraw/zinc/83/76/70/534837670.db2.gz DLLDGCMBIXQKEZ-NYUBLWNDSA-N 0 0 347.370 2.159 40 0 EEABRN CC(=O)N1CC[C@@H](CN(C)[C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000189755521 526647448 /nfs/dbraw/zinc/64/74/48/526647448.db2.gz HYIPMQVWSZQCKB-HIFRSBDPSA-N 0 0 334.468 2.040 40 0 EEABRN CC1CC(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000096460891 528155424 /nfs/dbraw/zinc/15/54/24/528155424.db2.gz GKVIJOXSFHFEPU-UHFFFAOYSA-N 0 0 339.439 2.427 40 0 EEABRN CC1CCC2(CC1)OC[C@@H](CNC(=O)NCCc1ccccn1)O2 ZINC000182414687 528210149 /nfs/dbraw/zinc/21/01/49/528210149.db2.gz QQZJIXHORAAEBL-BFHRDPOASA-N 0 0 333.432 2.245 40 0 EEABRN CC(C)c1nnc(NC(=O)CN2CCOC[C@H]2c2cccn2C)s1 ZINC000131721163 528456539 /nfs/dbraw/zinc/45/65/39/528456539.db2.gz FPKVPFLVCQBRNQ-ZDUSSCGKSA-N 0 0 349.460 2.012 40 0 EEABRN CC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000156482007 529226033 /nfs/dbraw/zinc/22/60/33/529226033.db2.gz DSRDEWJCFZISLM-BXUZGUMPSA-N 0 0 330.306 2.243 40 0 EEABRN CCc1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)on1 ZINC000257231041 536126413 /nfs/dbraw/zinc/12/64/13/536126413.db2.gz GEYZCLJKNSBHFZ-QGZVFWFLSA-N 0 0 330.388 2.373 40 0 EEABRN CCn1cnc2c1ncnc2N(C)Cc1ncc(Br)cn1 ZINC000895330634 684506306 /nfs/dbraw/zinc/50/63/06/684506306.db2.gz PGKVSVXFLWEKTJ-UHFFFAOYSA-N 0 0 348.208 2.035 40 0 EEABRN CCc1ncc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cn1 ZINC000930493540 1206562316 /nfs/dbraw/zinc/56/23/16/1206562316.db2.gz POPLOSPJKJAKFQ-OAHLLOKOSA-N 0 0 338.415 2.451 40 0 EEABRN Cn1cc(N2CCN(C(=O)c3cc(-c4ccccc4)ccn3)CC2)cn1 ZINC000933947443 1207875797 /nfs/dbraw/zinc/87/57/97/1207875797.db2.gz SSSHXAAGFXRCRL-UHFFFAOYSA-N 0 0 347.422 2.445 40 0 EEABRN C[P@](=O)(c1nccn1-c1ccc(Cl)nn1)N1CCCCC1 ZINC000013282136 1352318315 /nfs/dbraw/zinc/31/83/15/1352318315.db2.gz STBPIADPLVEDLP-NRFANRHFSA-N 0 0 325.740 2.335 40 0 EEABRN O=S(=O)(CCc1cccc(F)c1)N1CCC[C@H]1c1ncccn1 ZINC000907340718 784537737 /nfs/dbraw/zinc/53/77/37/784537737.db2.gz VXVYMMRQRBXUOF-HNNXBMFYSA-N 0 0 335.404 2.325 40 0 EEABRN CCCNC(=O)N1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 ZINC001534646234 1123375881 /nfs/dbraw/zinc/37/58/81/1123375881.db2.gz FCSBJVVRIUXTFL-KBPBESRZSA-N 0 0 346.431 2.250 40 0 EEABRN O=c1cc(CSc2ccccn2)[nH]c2nc(-c3cccnc3)nn21 ZINC000100071799 219089780 /nfs/dbraw/zinc/08/97/80/219089780.db2.gz BYDNMEYKAZQYTP-UHFFFAOYSA-N 0 0 336.380 2.167 40 0 EEABRN COCCNC(=S)NN=c1nc[nH]c2sc3c(c21)CCCC3 ZINC000004167763 210138536 /nfs/dbraw/zinc/13/85/36/210138536.db2.gz UBYUEZUGKDFBLB-UHFFFAOYSA-N 0 0 337.474 2.008 40 0 EEABRN Cc1sc2ncn(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(=O)c2c1C ZINC000044895745 213663627 /nfs/dbraw/zinc/66/36/27/213663627.db2.gz KJQMBNKLESPKKC-GHMZBOCLSA-N 0 0 349.456 2.101 40 0 EEABRN O=C(Nc1cccc(C(=O)N2CCCSCC2)c1)[C@H]1CCCO1 ZINC000040539301 213342775 /nfs/dbraw/zinc/34/27/75/213342775.db2.gz PVJOWRPYHBZNET-OAHLLOKOSA-N 0 0 334.441 2.383 40 0 EEABRN O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000040466547 213309521 /nfs/dbraw/zinc/30/95/21/213309521.db2.gz CICMXNDVDVBYCE-AWEZNQCLSA-N 0 0 341.758 2.462 40 0 EEABRN C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)CCC4)c2)NC(=O)NC1=O ZINC000040111053 213267083 /nfs/dbraw/zinc/26/70/83/213267083.db2.gz PFRAJHCXTCKPIZ-FQEVSTJZSA-N 0 0 349.390 2.482 40 0 EEABRN Cc1cc2occ(CC(=O)NCCN3CCOCC3)c2cc1Cl ZINC000039892735 213243279 /nfs/dbraw/zinc/24/32/79/213243279.db2.gz AXSASCUZHJZIEH-UHFFFAOYSA-N 0 0 336.819 2.386 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000038666484 213219007 /nfs/dbraw/zinc/21/90/07/213219007.db2.gz RMPJXMXRLUDWEA-JTQLQIEISA-N 0 0 327.431 2.327 40 0 EEABRN O=C(N[C@H]1CCCc2nc(-c3ccncc3)ncc21)c1cnccn1 ZINC000071195811 215744014 /nfs/dbraw/zinc/74/40/14/215744014.db2.gz OUNPRQWXIVJFLH-HNNXBMFYSA-N 0 0 332.367 2.136 40 0 EEABRN O=C(NCCOc1ncccc1Cl)N[C@H]1CCC[C@H]1n1ccnc1 ZINC000096473500 237059961 /nfs/dbraw/zinc/05/99/61/237059961.db2.gz SBKMIWKRMUTWTC-UONOGXRCSA-N 0 0 349.822 2.403 40 0 EEABRN Cc1cncc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000189758980 237226181 /nfs/dbraw/zinc/22/61/81/237226181.db2.gz JIZKSUVFXNWFAN-UHFFFAOYSA-N 0 0 349.431 2.036 40 0 EEABRN NC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361810 216168563 /nfs/dbraw/zinc/16/85/63/216168563.db2.gz YZCHVLAYKFNDDC-GFCCVEGCSA-N 0 0 330.363 2.073 40 0 EEABRN NC(=O)CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072367806 216174756 /nfs/dbraw/zinc/17/47/56/216174756.db2.gz YJSQOKPHLDFARI-HNNXBMFYSA-N 0 0 327.403 2.476 40 0 EEABRN O=C(CN1CCN(CC2CC2)c2ccccc21)NC1CCOCC1 ZINC000072696328 216295641 /nfs/dbraw/zinc/29/56/41/216295641.db2.gz ITUSVZWXUBDTGF-UHFFFAOYSA-N 0 0 329.444 2.018 40 0 EEABRN O=C1NCCN(Cc2nc(-c3ccco3)no2)[C@H]1c1cccs1 ZINC000072799475 216308973 /nfs/dbraw/zinc/30/89/73/216308973.db2.gz PDBYELCRIUDBBO-ZDUSSCGKSA-N 0 0 330.369 2.064 40 0 EEABRN CCOC(=O)Cc1cs/c(=N\c2ccc(C)c(C)c2)n1CCO ZINC000022855505 212329860 /nfs/dbraw/zinc/32/98/60/212329860.db2.gz AKYUORFXIGZZFS-ZCXUNETKSA-N 0 0 334.441 2.497 40 0 EEABRN CCOCCCNC(=O)c1cn(C)c2ccc(OCC)cc2c1=O ZINC000022237337 212284569 /nfs/dbraw/zinc/28/45/69/212284569.db2.gz JZKHBGZGVMCJBX-UHFFFAOYSA-N 0 0 332.400 2.094 40 0 EEABRN CCCNC(=O)c1ccc(N2CCC[C@@H](Cc3noc(C)n3)C2)nc1 ZINC000195553169 241001540 /nfs/dbraw/zinc/00/15/40/241001540.db2.gz KPSXDXVDROXMGM-AWEZNQCLSA-N 0 0 343.431 2.372 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCc1ccnc(N2CCCCC2)n1 ZINC000211101896 241079235 /nfs/dbraw/zinc/07/92/35/241079235.db2.gz WKRDVJXBMVBELW-UHFFFAOYSA-N 0 0 346.456 2.087 40 0 EEABRN CCOC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218614951 241334308 /nfs/dbraw/zinc/33/43/08/241334308.db2.gz CXRFJJSEEOVFIG-FGTMMUONSA-N 0 0 349.427 2.499 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@@H](Oc3cccnn3)C2)c1 ZINC000225454678 241872047 /nfs/dbraw/zinc/87/20/47/241872047.db2.gz QXKXQXPDNYZKFN-MRXNPFEDSA-N 0 0 327.384 2.098 40 0 EEABRN O=C(Nc1cccc(-c2nc[nH]n2)c1)C1CCN(CC(F)F)CC1 ZINC000225803792 242043571 /nfs/dbraw/zinc/04/35/71/242043571.db2.gz IIALCLSILIEBMR-UHFFFAOYSA-N 0 0 335.358 2.387 40 0 EEABRN CN(c1ccc(CC(=O)Nc2ccccc2F)cc1)S(C)(=O)=O ZINC000225976882 242083585 /nfs/dbraw/zinc/08/35/85/242083585.db2.gz YAGZUGCZALCCPL-UHFFFAOYSA-N 0 0 336.388 2.403 40 0 EEABRN CSc1cnc(N2CCCN(c3ncc(SC)cn3)CC2)nc1 ZINC000225816651 242050518 /nfs/dbraw/zinc/05/05/18/242050518.db2.gz IFLWGPBOTCKLCQ-UHFFFAOYSA-N 0 0 348.501 2.427 40 0 EEABRN COc1cc(Sc2ncccn2)nc(NC(=S)NC(C)C)n1 ZINC000225887672 242071225 /nfs/dbraw/zinc/07/12/25/242071225.db2.gz SGAXCYPUEJRCHX-UHFFFAOYSA-N 0 0 336.446 2.121 40 0 EEABRN C[C@H]1CCCN(C(=O)Cn2cc(COc3cccc(F)c3)nn2)C1 ZINC000227169822 242127373 /nfs/dbraw/zinc/12/73/73/242127373.db2.gz SWZVHTAFHMCPHH-ZDUSSCGKSA-N 0 0 332.379 2.255 40 0 EEABRN Cc1cccc(C(=O)N2CCCN(C(=O)C3CCOCC3)CC2)c1 ZINC000242100058 243010900 /nfs/dbraw/zinc/01/09/00/243010900.db2.gz WEACCXOEXYCYMN-UHFFFAOYSA-N 0 0 330.428 2.096 40 0 EEABRN C[C@]1(C(=O)N[C@@H]2C=C[C@H](CO)C2)CC(c2ccccc2Cl)=NO1 ZINC000242338929 243017035 /nfs/dbraw/zinc/01/70/35/243017035.db2.gz ZDPWLLLZTIVXLT-XWCIJXRUSA-N 0 0 334.803 2.276 40 0 EEABRN O=C(CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O)Nc1ccccc1 ZINC000020674414 212161444 /nfs/dbraw/zinc/16/14/44/212161444.db2.gz IJWPWXCUMDMLQV-QGZVFWFLSA-N 0 0 349.390 2.277 40 0 EEABRN Cn1cc(C(=O)N2CC3(C2)C[C@@H](OCC2CCCC2)CCO3)cn1 ZINC000248133808 243535055 /nfs/dbraw/zinc/53/50/55/243535055.db2.gz NYGNBZKLVOKXHU-INIZCTEOSA-N 0 0 333.432 2.001 40 0 EEABRN CCc1ccc(O)c(NC(=O)[C@H]2COCCN2CC(F)(F)F)c1 ZINC000252483540 243772995 /nfs/dbraw/zinc/77/29/95/243772995.db2.gz FEFHLBSTUSZHDE-GFCCVEGCSA-N 0 0 332.322 2.156 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccccc2C)CC1 ZINC000020483381 212137123 /nfs/dbraw/zinc/13/71/23/212137123.db2.gz YGZCEKOBJABVBN-OAHLLOKOSA-N 0 0 334.416 2.453 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)on1 ZINC000253600222 244031871 /nfs/dbraw/zinc/03/18/71/244031871.db2.gz KLEUSAMJHBYDAI-CQSZACIVSA-N 0 0 345.424 2.295 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CS3)on1 ZINC000253600301 244034681 /nfs/dbraw/zinc/03/46/81/244034681.db2.gz MYKKWCZETVAEGT-ZDUSSCGKSA-N 0 0 331.397 2.157 40 0 EEABRN C[C@]12CCN(C(=O)c3cc[nH]n3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257216918 244172154 /nfs/dbraw/zinc/17/21/54/244172154.db2.gz CWQSJZAFWNYHMG-LPHOPBHVSA-N 0 0 338.411 2.206 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 ZINC000257209622 244146277 /nfs/dbraw/zinc/14/62/77/244146277.db2.gz BREIIROQDKXAIQ-CYBMUJFWSA-N 0 0 343.431 2.403 40 0 EEABRN CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)c1ccc2c(c1)OCO2 ZINC000257210837 244148561 /nfs/dbraw/zinc/14/85/61/244148561.db2.gz BWJKOQWLFMNULK-JKSUJKDBSA-N 0 0 344.411 2.278 40 0 EEABRN Cc1ncsc1C(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257221478 244185778 /nfs/dbraw/zinc/18/57/78/244185778.db2.gz DPERWZSXUHARBH-AWEZNQCLSA-N 0 0 332.429 2.024 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)C(C)C)C2)nc1C ZINC000257224850 244197037 /nfs/dbraw/zinc/19/70/37/244197037.db2.gz FDRMFQMGKSETEY-HNNXBMFYSA-N 0 0 346.475 2.134 40 0 EEABRN Cc1cn(C)c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1 ZINC000257276549 244394844 /nfs/dbraw/zinc/39/48/44/244394844.db2.gz NUFZJNHIQLUICN-CYBMUJFWSA-N 0 0 331.441 2.492 40 0 EEABRN Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1ccsc1 ZINC000257276495 244394989 /nfs/dbraw/zinc/39/49/89/244394989.db2.gz NTZXSUPAGJHQSU-HNNXBMFYSA-N 0 0 331.441 2.249 40 0 EEABRN O=C(Cn1cc(Cl)cn1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257288139 244426242 /nfs/dbraw/zinc/42/62/42/244426242.db2.gz PTABBKKXRSJROS-BFYDXBDKSA-N 0 0 349.818 2.014 40 0 EEABRN Cn1ccc(C(=O)N2CCCC[C@@H]2c2nnc(-c3ccncc3)o2)n1 ZINC000257289313 244428194 /nfs/dbraw/zinc/42/81/94/244428194.db2.gz PYCDSFAOZJXLGQ-CQSZACIVSA-N 0 0 338.371 2.233 40 0 EEABRN Cc1ccc(C[C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)nc1 ZINC000257300826 244463920 /nfs/dbraw/zinc/46/39/20/244463920.db2.gz RVVUCDRSULBHTE-INIZCTEOSA-N 0 0 346.452 2.270 40 0 EEABRN COc1ncc(CN2CCC[C@@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257317211 244507253 /nfs/dbraw/zinc/50/72/53/244507253.db2.gz VIVKOKAWZFQDTO-SFHVURJKSA-N 0 0 342.447 2.161 40 0 EEABRN O=C(NCC[C@@H]1CCCCN1C(=O)c1cc[nH]n1)c1ccccc1 ZINC000019749045 212062422 /nfs/dbraw/zinc/06/24/22/212062422.db2.gz RRRIMQLZUWPVBD-HNNXBMFYSA-N 0 0 326.400 2.225 40 0 EEABRN CNC(=O)CC1CCN(C(=O)c2cc3cc(C)ccc3n2C)CC1 ZINC000019748507 212061933 /nfs/dbraw/zinc/06/19/33/212061933.db2.gz IPLGTATVTAKJHD-UHFFFAOYSA-N 0 0 327.428 2.475 40 0 EEABRN C[C@@]1(C(=O)NC2CCCC2)CN(Cc2nc3ccccc3[nH]2)CCO1 ZINC000019747052 212061640 /nfs/dbraw/zinc/06/16/40/212061640.db2.gz TUMCRDDKFAEBAG-IBGZPJMESA-N 0 0 342.443 2.213 40 0 EEABRN Cc1nn(CCNS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1C ZINC000019570806 212043933 /nfs/dbraw/zinc/04/39/33/212043933.db2.gz SUZOZDFITBZZQH-UHFFFAOYSA-N 0 0 325.409 2.234 40 0 EEABRN Cc1nn(C(C)C)cc1S(=O)(=O)NCc1cc(CC(C)C)no1 ZINC000019583327 212046502 /nfs/dbraw/zinc/04/65/02/212046502.db2.gz KHHICDZHRGHVHO-UHFFFAOYSA-N 0 0 340.449 2.437 40 0 EEABRN CCc1nc2cc(NC(=O)[C@H](C)N3CCOCC3)ccc2n1CC ZINC000019523199 212036488 /nfs/dbraw/zinc/03/64/88/212036488.db2.gz XHOIQHRNYSIYSR-ZDUSSCGKSA-N 0 0 330.432 2.278 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019373404 212024312 /nfs/dbraw/zinc/02/43/12/212024312.db2.gz YTNHCDUUFZZWDG-CQSZACIVSA-N 0 0 349.390 2.318 40 0 EEABRN CC(C)(C)n1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cn1 ZINC000078112868 217023503 /nfs/dbraw/zinc/02/35/03/217023503.db2.gz NLSGUSPDGZHXQI-KRWDZBQOSA-N 0 0 342.443 2.478 40 0 EEABRN COc1cc(C(=O)Nc2ccc(-n3ccnc3C)cc2)nc(OC)n1 ZINC000019288275 212011499 /nfs/dbraw/zinc/01/14/99/212011499.db2.gz MDWZTUHIEJNFGJ-UHFFFAOYSA-N 0 0 339.355 2.240 40 0 EEABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)C3CC3)c2N)cc1 ZINC000019213082 212003984 /nfs/dbraw/zinc/00/39/84/212003984.db2.gz WDPJZCXFCPJYBY-MRXNPFEDSA-N 0 0 338.411 2.347 40 0 EEABRN CO[C@@H]1CCC[C@H](OC(=O)CSc2nnnn2C2CCCC2)C1 ZINC000078442312 217053527 /nfs/dbraw/zinc/05/35/27/217053527.db2.gz LYGUPQWJHWDZRD-OLZOCXBDSA-N 0 0 340.449 2.381 40 0 EEABRN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000078549819 217072833 /nfs/dbraw/zinc/07/28/33/217072833.db2.gz BLJDFDRCTFZWIZ-SNVBAGLBSA-N 0 0 342.729 2.183 40 0 EEABRN COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cccc2c1OCCO2 ZINC000078551856 217073155 /nfs/dbraw/zinc/07/31/55/217073155.db2.gz BIFFVVSGYJINAU-OAHLLOKOSA-N 0 0 339.347 2.202 40 0 EEABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017321761 211965704 /nfs/dbraw/zinc/96/57/04/211965704.db2.gz RMRZHHUDCRNTFI-GFCCVEGCSA-N 0 0 342.436 2.141 40 0 EEABRN COc1ccc(N2C(=O)C[C@@H](Nc3cccc(OC)c3)C2=O)cc1 ZINC000017084909 211953879 /nfs/dbraw/zinc/95/38/79/211953879.db2.gz RVUZTEAPDAKHQK-MRXNPFEDSA-N 0 0 326.352 2.448 40 0 EEABRN Cc1cc(C)n2ncc(-c3noc(CCNC(=O)C(C)(C)C)n3)c2n1 ZINC000078774395 217118388 /nfs/dbraw/zinc/11/83/88/217118388.db2.gz SIIRERNKDKPTFK-UHFFFAOYSA-N 0 0 342.403 2.101 40 0 EEABRN CN1C[C@H](C(=O)NCCc2nc(C3CCCCC3)cs2)CC1=O ZINC000078917815 217147130 /nfs/dbraw/zinc/14/71/30/217147130.db2.gz YYNPGDKMRGGAPM-CYBMUJFWSA-N 0 0 335.473 2.328 40 0 EEABRN CCOc1ncccc1CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000078989569 217167936 /nfs/dbraw/zinc/16/79/36/217167936.db2.gz SFSHLAOQIYZNPG-UHFFFAOYSA-N 0 0 343.412 2.267 40 0 EEABRN CC(C)CNC(=O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079040005 217179451 /nfs/dbraw/zinc/17/94/51/217179451.db2.gz MQMPAGTZRONSBF-JTQLQIEISA-N 0 0 330.787 2.135 40 0 EEABRN NC(=O)c1csc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 ZINC000079050457 217182068 /nfs/dbraw/zinc/18/20/68/217182068.db2.gz SGOWAZULLYOGPR-AWEZNQCLSA-N 0 0 345.424 2.063 40 0 EEABRN C[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)n1nnc(-c2ccccc2)n1 ZINC000079788868 217253978 /nfs/dbraw/zinc/25/39/78/217253978.db2.gz SUFYVBSEUYEEBZ-LBPRGKRZSA-N 0 0 339.403 2.491 40 0 EEABRN C[C@@H](Nc1ccc2nnnn2n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080233689 217290360 /nfs/dbraw/zinc/29/03/60/217290360.db2.gz AYAIGEQXLXKRIV-MRVPVSSYSA-N 0 0 342.750 2.396 40 0 EEABRN CN1C[C@H](NC(=O)/C=C/c2cc(Br)cs2)CCC1=O ZINC000080399951 217302476 /nfs/dbraw/zinc/30/24/76/217302476.db2.gz SIUWKNAYAYTARM-HMDXOVGESA-N 0 0 343.246 2.261 40 0 EEABRN O=C(Nc1cnn(CC(F)F)c1)Nc1ccn(Cc2ccccn2)n1 ZINC000081072897 217358011 /nfs/dbraw/zinc/35/80/11/217358011.db2.gz IZZIEQZCMNWGAI-UHFFFAOYSA-N 0 0 347.329 2.432 40 0 EEABRN COc1cncc(N2CCN(C(=O)[C@@H](C)c3ccc(C)s3)CC2)n1 ZINC000081413373 217392786 /nfs/dbraw/zinc/39/27/86/217392786.db2.gz DGVCOZZIZRFAMU-ZDUSSCGKSA-N 0 0 346.456 2.307 40 0 EEABRN O=C1N(C2CCOCC2)C[C@H]2CN(Cc3cccc(Cl)c3)CCN12 ZINC000085436211 217667771 /nfs/dbraw/zinc/66/77/71/217667771.db2.gz ZWPKOMRHBYCNTF-QGZVFWFLSA-N 0 0 349.862 2.441 40 0 biogenic,in-vitro EEABRN Cn1cccc1[C@@H]1CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000265236427 247325504 /nfs/dbraw/zinc/32/55/04/247325504.db2.gz ZGHVFSAWOZEUDP-AWEZNQCLSA-N 0 0 342.424 2.160 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 ZINC000012239695 211328738 /nfs/dbraw/zinc/32/87/38/211328738.db2.gz PTYKPCGDRBUKMT-IUODEOHRSA-N 0 0 338.411 2.118 40 0 EEABRN Cc1nc(C)n([C@@H](C)CNC(=O)c2cccc(N3CCCC3=O)c2)n1 ZINC000012195347 211317076 /nfs/dbraw/zinc/31/70/76/211317076.db2.gz BWJDNZQSIHNKSS-LBPRGKRZSA-N 0 0 341.415 2.013 40 0 EEABRN Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NC3CCCCC3)n2)o1 ZINC000012182923 211311978 /nfs/dbraw/zinc/31/19/78/211311978.db2.gz GOTNZLYIVCWWCL-LBPRGKRZSA-N 0 0 344.415 2.404 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)CCn1cnc2ccccc21 ZINC000012117666 211298246 /nfs/dbraw/zinc/29/82/46/211298246.db2.gz NELDBRIDWSMWTF-AWEZNQCLSA-N 0 0 348.410 2.376 40 0 EEABRN CCn1cncc1CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000012116809 211295872 /nfs/dbraw/zinc/29/58/72/211295872.db2.gz IRLIVNPDHNBGJM-UHFFFAOYSA-N 0 0 329.400 2.115 40 0 EEABRN COC(=O)[C@@H]1CN(Cc2cnc(-c3ccc(C)cc3)s2)CCO1 ZINC000093083442 218191661 /nfs/dbraw/zinc/19/16/61/218191661.db2.gz UCAUBNCKRAYSJX-HNNXBMFYSA-N 0 0 332.425 2.492 40 0 EEABRN COc1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)cc1O ZINC000093416509 218225382 /nfs/dbraw/zinc/22/53/82/218225382.db2.gz KWHMOMUSSFWECS-UHFFFAOYSA-N 0 0 336.329 2.419 40 0 EEABRN O=C([O-])c1c2c(cnc1-c1ccncc1)C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096189252 304217758 /nfs/dbraw/zinc/21/77/58/304217758.db2.gz ZTBQCLIWABOUCS-ZDUSSCGKSA-N 0 0 339.395 2.236 40 0 EEABRN COc1ccc(C2(NC(=O)c3n[nH]c4c3CCC4)CCOCC2)cc1 ZINC000095347280 218282997 /nfs/dbraw/zinc/28/29/97/218282997.db2.gz UBPVNGQJJIUVET-UHFFFAOYSA-N 0 0 341.411 2.343 40 0 EEABRN CNC(=O)[C@H]1CCCN1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000095436877 218379422 /nfs/dbraw/zinc/37/94/22/218379422.db2.gz SJHBFEMKCINNOF-CYBMUJFWSA-N 0 0 344.242 2.456 40 0 EEABRN O=C(CCN1C(=O)CC2(CCCC2)C1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000095479325 218411038 /nfs/dbraw/zinc/41/10/38/218411038.db2.gz YFEONNGHNCKWDH-ILXRZTDVSA-N 0 0 330.428 2.024 40 0 EEABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21 ZINC000096053302 218543974 /nfs/dbraw/zinc/54/39/74/218543974.db2.gz RMTQNHCECCQYNT-AWEZNQCLSA-N 0 0 345.443 2.205 40 0 EEABRN Cc1cccc(COCc2n[nH]c3c2CN(C(=O)c2ccc[nH]2)C3)n1 ZINC000096086723 218583482 /nfs/dbraw/zinc/58/34/82/218583482.db2.gz JDERDBGAUOXFAB-UHFFFAOYSA-N 0 0 337.383 2.314 40 0 EEABRN O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107414 218600076 /nfs/dbraw/zinc/60/00/76/218600076.db2.gz NTAHNUACOVZAOF-DYVFJYSZSA-N 0 0 347.346 2.051 40 0 EEABRN O=C(c1cccs1)N1CCOC[C@H]1c1nccc(N2CCCC2)n1 ZINC000096218235 218692303 /nfs/dbraw/zinc/69/23/03/218692303.db2.gz PLGFKAGQKKBBGP-ZDUSSCGKSA-N 0 0 344.440 2.352 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096253336 218724044 /nfs/dbraw/zinc/72/40/44/218724044.db2.gz WABPRDUHIJULTB-FGTMMUONSA-N 0 0 341.386 2.449 40 0 EEABRN NC(=O)c1csc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000096407596 218759325 /nfs/dbraw/zinc/75/93/25/218759325.db2.gz JCRFKHRDNGJRHH-ZDUSSCGKSA-N 0 0 347.415 2.385 40 0 EEABRN O=C(CCCNC(=O)C1CC1)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407594 218758919 /nfs/dbraw/zinc/75/89/19/218758919.db2.gz BHMDEBJMMKSLIH-INIZCTEOSA-N 0 0 347.434 2.217 40 0 EEABRN O=C(NCCNc1nccc(C(F)(F)F)n1)Nc1cccnc1 ZINC000096415123 218773206 /nfs/dbraw/zinc/77/32/06/218773206.db2.gz HMJMFDHYZXELBI-UHFFFAOYSA-N 0 0 326.282 2.124 40 0 EEABRN O=C1[C@H]2CCCN2C(=O)N1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000240668591 285008113 /nfs/dbraw/zinc/00/81/13/285008113.db2.gz HNQVXNIJOWFRNG-BXUZGUMPSA-N 0 0 337.782 2.484 40 0 EEABRN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1(C)C ZINC000096418957 218782078 /nfs/dbraw/zinc/78/20/78/218782078.db2.gz UWYCILPTQKPFIO-OWCLPIDISA-N 0 0 336.476 2.297 40 0 EEABRN CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2cn(C)nc2C)c1 ZINC000096420542 218784736 /nfs/dbraw/zinc/78/47/36/218784736.db2.gz ZRYAMHIHOMDYMH-GFCCVEGCSA-N 0 0 328.416 2.359 40 0 EEABRN COc1ccccc1-n1cc(S(=O)(=O)N(C)Cc2ccco2)cn1 ZINC000096427620 218799714 /nfs/dbraw/zinc/79/97/14/218799714.db2.gz AFLRLHWCKPBOIJ-UHFFFAOYSA-N 0 0 347.396 2.295 40 0 EEABRN Cc1ncc(CNC(=O)Nc2ccn(Cc3ccccn3)n2)s1 ZINC000096435062 218812567 /nfs/dbraw/zinc/81/25/67/218812567.db2.gz LOZUBEGQZXRTOJ-UHFFFAOYSA-N 0 0 328.401 2.413 40 0 EEABRN CC[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)Oc1ccccc1Cl ZINC000096451817 218834845 /nfs/dbraw/zinc/83/48/45/218834845.db2.gz JWSLDBZMPGYDHH-OLZOCXBDSA-N 0 0 338.835 2.482 40 0 EEABRN CN(Cc1cc(Cl)cn1C)C(=O)NCc1nnc2ccccn21 ZINC000096462764 218845923 /nfs/dbraw/zinc/84/59/23/218845923.db2.gz LXXUCNDTUPQPNV-UHFFFAOYSA-N 0 0 332.795 2.063 40 0 EEABRN CSCC[C@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000096455090 218839215 /nfs/dbraw/zinc/83/92/15/218839215.db2.gz AOPWLBJDTWOZME-QWRGUYRKSA-N 0 0 327.416 2.406 40 0 EEABRN CCc1sc([C@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000096483850 218860007 /nfs/dbraw/zinc/86/00/07/218860007.db2.gz GQIQBOYCKHYMCB-RYUDHWBXSA-N 0 0 344.502 2.414 40 0 EEABRN Cn1cc(CCCNC(=O)N2CCO[C@H](Cc3ccccc3)C2)cn1 ZINC000096493986 218871909 /nfs/dbraw/zinc/87/19/09/218871909.db2.gz MWKUUCOMMOJFTD-GOSISDBHSA-N 0 0 342.443 2.006 40 0 EEABRN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000005431788 210463057 /nfs/dbraw/zinc/46/30/57/210463057.db2.gz MPSGTHBFYDUILP-OAHLLOKOSA-N 0 0 334.372 2.285 40 0 EEABRN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCc2cccc(F)c2F)C1=O ZINC000096501866 218878219 /nfs/dbraw/zinc/87/82/19/218878219.db2.gz NDZQBFWTABGSLW-KRWDZBQOSA-N 0 0 348.353 2.098 40 0 EEABRN COCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000136263264 533054285 /nfs/dbraw/zinc/05/42/85/533054285.db2.gz AQGISIDAZGDAFL-UHFFFAOYSA-N 0 0 340.177 2.104 40 0 EEABRN CCc1c(C)nc(SCC(=O)Nc2ccc(N(C)C)cc2)[nH]c1=O ZINC000005021671 210365875 /nfs/dbraw/zinc/36/58/75/210365875.db2.gz LFRAXTDRHRHBIC-UHFFFAOYSA-N 0 0 346.456 2.438 40 0 EEABRN CCCNC(=O)CSc1nnc2c3cc(OC)ccc3n(C)c2n1 ZINC000004856459 210302210 /nfs/dbraw/zinc/30/22/10/210302210.db2.gz JJFRCBAGLKLFAR-UHFFFAOYSA-N 0 0 345.428 2.143 40 0 EEABRN CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000271201563 256218953 /nfs/dbraw/zinc/21/89/53/256218953.db2.gz QJDBGOGTHSZLRP-JTQLQIEISA-N 0 0 326.326 2.491 40 0 EEABRN O=C(NCCCNc1cnccn1)c1cccc(Br)c1 ZINC000301161779 257868542 /nfs/dbraw/zinc/86/85/42/257868542.db2.gz TYYCRXJVBNWOCQ-UHFFFAOYSA-N 0 0 335.205 2.471 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cncc(O)c1 ZINC000013226888 292026280 /nfs/dbraw/zinc/02/62/80/292026280.db2.gz SXRAZELAQNGPGS-SWLSCSKDSA-N 0 0 335.367 2.040 40 0 EEABRN Cc1cccc(-n2c(=O)[nH]c3nc(N4CCCC4)sc3c2=O)c1C ZINC000040478773 292409345 /nfs/dbraw/zinc/40/93/45/292409345.db2.gz IVRXNWDUHSDRCY-UHFFFAOYSA-N 0 0 342.424 2.353 40 0 EEABRN CN(C)S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000170690252 226702086 /nfs/dbraw/zinc/70/20/86/226702086.db2.gz GFXCBTJXTCYUBE-ZDUSSCGKSA-N 0 0 336.417 2.070 40 0 EEABRN Cc1ccc2c(c1)CC[C@H](c1nc([C@H]3CCS(=O)(=O)C3)no1)O2 ZINC000290182658 275187391 /nfs/dbraw/zinc/18/73/91/275187391.db2.gz SMFCAYJBRQCQGD-GXTWGEPZSA-N 0 0 334.397 2.346 40 0 EEABRN CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000248046419 277004699 /nfs/dbraw/zinc/00/46/99/277004699.db2.gz MJUOXZZBGXZSDO-PBHICJAKSA-N 0 0 344.440 2.048 40 0 EEABRN COc1cccc(C(=O)N[C@@H]2[C@@H](c3ccccc3C)C[C@@H](O)[C@H]2O)c1 ZINC000077261722 278007904 /nfs/dbraw/zinc/00/79/04/278007904.db2.gz YCRFQKJFQWSFKV-NCXUSEDFSA-N 0 0 341.407 2.011 40 0 biogenic,in-vitro EEABRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(N2CCCC2)ncn1 ZINC000075166324 280082137 /nfs/dbraw/zinc/08/21/37/280082137.db2.gz OVDHBSNVULTPIC-PXAZEXFGSA-N 0 0 340.383 2.244 40 0 EEABRN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@H]3C2=O)cc1Br ZINC000036229306 280861565 /nfs/dbraw/zinc/86/15/65/280861565.db2.gz RCLLHICYXSJKQX-FNFFVJSTSA-N 0 0 334.169 2.200 40 0 EEABRN CC1(C)CN(C(=O)C2(S(C)(=O)=O)CC2)CC[C@@H]1C(F)(F)F ZINC000408205158 281155079 /nfs/dbraw/zinc/15/50/79/281155079.db2.gz XMDOFLQLYSLKJM-VIFPVBQESA-N 0 0 327.368 2.001 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@H]1c1cccc(F)c1 ZINC000072241786 289815331 /nfs/dbraw/zinc/81/53/31/289815331.db2.gz YDZGNWKKDHUACJ-SJORKVTESA-N 0 0 334.391 2.127 40 0 EEABRN CN1C[C@@H](c2ccccc2)C2(CCN(C(=O)[C@H]3CCCO3)CC2)C1=O ZINC000096161382 290279225 /nfs/dbraw/zinc/27/92/25/290279225.db2.gz QCEOUTGVTNLEOF-DLBZAZTESA-N 0 0 342.439 2.030 40 0 EEABRN Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCNC(=O)c3ccccc31)O2 ZINC000253431180 301880308 /nfs/dbraw/zinc/88/03/08/301880308.db2.gz QLUOAKAINUZHPB-SFHVURJKSA-N 0 0 336.391 2.465 40 0 EEABRN O=C(NCC(F)(F)c1ccccc1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332858489 312062865 /nfs/dbraw/zinc/06/28/65/312062865.db2.gz AXLNRTAMTIBVBC-UONOGXRCSA-N 0 0 337.370 2.231 40 0 EEABRN C[C@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)S(=O)(=O)C1 ZINC000333926840 312215088 /nfs/dbraw/zinc/21/50/88/312215088.db2.gz VVPLIYHQSGKDBR-AWEZNQCLSA-N 0 0 336.457 2.094 40 0 EEABRN Cc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(C)o3)[C@@H](C)C2)o1 ZINC000097098284 323320562 /nfs/dbraw/zinc/32/05/62/323320562.db2.gz HEFLZYRYHGRRPA-ZDUSSCGKSA-N 0 0 344.411 2.334 40 0 EEABRN O=C(CCc1cccs1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000097372316 323321999 /nfs/dbraw/zinc/32/19/99/323321999.db2.gz OTVWRCNKCXTSMW-OAHLLOKOSA-N 0 0 329.425 2.388 40 0 EEABRN O=C(NCc1ccc[nH]1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000097373288 323322378 /nfs/dbraw/zinc/32/23/78/323322378.db2.gz BNFWTFLOQDNAIE-KBMXLJTQSA-N 0 0 325.416 2.259 40 0 EEABRN CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(F)c2)cc1 ZINC000097376315 323322495 /nfs/dbraw/zinc/32/24/95/323322495.db2.gz KAYICJQKIROJMK-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN CCNC(=O)C1CN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000133745513 323329806 /nfs/dbraw/zinc/32/98/06/323329806.db2.gz RSEDJGZGLJOERS-GFCCVEGCSA-N 0 0 329.322 2.068 40 0 EEABRN C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000153896452 323331208 /nfs/dbraw/zinc/33/12/08/323331208.db2.gz OGXAPHTWWDLOTC-UWWQBHOKSA-N 0 0 340.423 2.454 40 0 EEABRN CC(=O)NCC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000390833214 323545287 /nfs/dbraw/zinc/54/52/87/323545287.db2.gz DSMPTCWOJHGSSZ-AWEZNQCLSA-N 0 0 343.196 2.292 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000801562 462573032 /nfs/dbraw/zinc/57/30/32/462573032.db2.gz HBOSBBMQSRTJCP-BXUZGUMPSA-N 0 0 344.864 2.408 40 0 EEABRN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)c(OC)c1 ZINC000001329833 462579344 /nfs/dbraw/zinc/57/93/44/462579344.db2.gz RFEYFFJHVFMRHC-CYBMUJFWSA-N 0 0 342.399 2.349 40 0 EEABRN CC(C)NC(=O)N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001447092 462582666 /nfs/dbraw/zinc/58/26/66/462582666.db2.gz FIRQVBSMWDQVMU-CYBMUJFWSA-N 0 0 345.852 2.158 40 0 EEABRN COCCOCCOCc1cc2c(cc1Br)OCO2 ZINC000001663774 462585753 /nfs/dbraw/zinc/58/57/53/462585753.db2.gz FNOVMJVFIYGCJA-UHFFFAOYSA-N 0 0 333.178 2.357 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccc(NC(C)=O)cc2)C1 ZINC000045437193 462586833 /nfs/dbraw/zinc/58/68/33/462586833.db2.gz RCVAEEIDHZRWLZ-HNNXBMFYSA-N 0 0 347.415 2.130 40 0 EEABRN O=c1[nH]c2ccccc2nc(C(F)(F)F)/c1=N\Nc1cccnc1 ZINC000003849166 462624870 /nfs/dbraw/zinc/62/48/70/462624870.db2.gz XQBKJOXDJOXBGT-UHFFFAOYSA-N 0 0 333.273 2.265 40 0 EEABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000045866052 462626163 /nfs/dbraw/zinc/62/61/63/462626163.db2.gz OTMZVUZLSCXDLV-UHFFFAOYSA-N 0 0 329.374 2.030 40 0 EEABRN CNC(=O)CC1CCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000074852632 462643489 /nfs/dbraw/zinc/64/34/89/462643489.db2.gz QNAVHIMZCFRMDE-GOEBONIOSA-N 0 0 339.480 2.139 40 0 EEABRN Cc1nn(C(C)C)c2cnn(CC(=O)N[C@@H](C)c3ccncc3)c12 ZINC000046087525 462645744 /nfs/dbraw/zinc/64/57/44/462645744.db2.gz DLWTUVNMZQZGHV-LBPRGKRZSA-N 0 0 326.404 2.395 40 0 EEABRN CC(C)C(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)nn1C ZINC000046089053 462647021 /nfs/dbraw/zinc/64/70/21/462647021.db2.gz ZQPSLVBAYZSDBF-UHFFFAOYSA-N 0 0 326.400 2.213 40 0 EEABRN O=C(COC(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000005708815 462667555 /nfs/dbraw/zinc/66/75/55/462667555.db2.gz JVMMAFBVTIQQJG-UHFFFAOYSA-N 0 0 342.370 2.331 40 0 EEABRN CCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000006577079 462690898 /nfs/dbraw/zinc/69/08/98/462690898.db2.gz IUGCUBGBOXPNJV-UHFFFAOYSA-N 0 0 334.353 2.321 40 0 EEABRN COc1ccc(OCC(=O)NCCOc2cccc(OC)c2)cc1 ZINC000046644537 462694131 /nfs/dbraw/zinc/69/41/31/462694131.db2.gz WTRFAISTHHNMCX-UHFFFAOYSA-N 0 0 331.368 2.278 40 0 EEABRN Cc1sc(C(=O)Nc2cccc(O)c2)cc1S(=O)(=O)N(C)C ZINC000006679456 462695563 /nfs/dbraw/zinc/69/55/63/462695563.db2.gz ABUUTNAJVDURIJ-UHFFFAOYSA-N 0 0 340.426 2.265 40 0 EEABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)C)cc1 ZINC000006880225 462710112 /nfs/dbraw/zinc/71/01/12/462710112.db2.gz PXHOMPKPDKVZMT-UHFFFAOYSA-N 0 0 326.462 2.080 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000006946492 462714308 /nfs/dbraw/zinc/71/43/08/462714308.db2.gz GQFXFKAMIJLTEO-AWEZNQCLSA-N 0 0 326.462 2.374 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2sc1=O ZINC000075433487 462717296 /nfs/dbraw/zinc/71/72/96/462717296.db2.gz FYQYBWPKXVUAKU-UHFFFAOYSA-N 0 0 326.443 2.258 40 0 EEABRN CCc1ccc([C@H](COC)NC2=NS(=O)(=O)c3ccccc32)o1 ZINC000075491031 462722127 /nfs/dbraw/zinc/72/21/27/462722127.db2.gz RZTBSMBFYYVGSN-ZDUSSCGKSA-N 0 0 334.397 2.268 40 0 EEABRN O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)NCc1ccccc1 ZINC000008215838 462772856 /nfs/dbraw/zinc/77/28/56/462772856.db2.gz PSBFNSJKNYGJGE-SFHVURJKSA-N 0 0 338.407 2.121 40 0 EEABRN Cc1noc(C)c1-c1nc(N2CCOCC2)ncc1-c1cnccn1 ZINC000012155776 462845732 /nfs/dbraw/zinc/84/57/32/462845732.db2.gz UQGMAUKEWIVSTC-UHFFFAOYSA-N 0 0 338.371 2.042 40 0 EEABRN CC(=O)c1cc(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)cs1 ZINC000012325918 462849737 /nfs/dbraw/zinc/84/97/37/462849737.db2.gz WYZZEILJAOPDFL-UHFFFAOYSA-N 0 0 344.440 2.320 40 0 EEABRN COCc1c(Cl)cccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000132921418 462888239 /nfs/dbraw/zinc/88/82/39/462888239.db2.gz QCUARWHMBDZIHQ-JTQLQIEISA-N 0 0 335.795 2.214 40 0 EEABRN COc1ccccc1N1CCN(c2nc(C(C)C)cc(=O)[nH]2)CC1 ZINC000013611410 462897394 /nfs/dbraw/zinc/89/73/94/462897394.db2.gz XVDVQLLEXCEVQU-UHFFFAOYSA-N 0 0 328.416 2.229 40 0 EEABRN COc1cccc(N2CCN(c3ncc(C(C)=O)c(C)n3)CC2)c1 ZINC000014607469 462930127 /nfs/dbraw/zinc/93/01/27/462930127.db2.gz JXPHEZICDQBOES-UHFFFAOYSA-N 0 0 326.400 2.323 40 0 EEABRN Cc1ccnc(NC(=O)C2CCN(c3ccnc(N(C)C)n3)CC2)c1 ZINC000077192231 462949269 /nfs/dbraw/zinc/94/92/69/462949269.db2.gz QZHZSIREDMBQIN-UHFFFAOYSA-N 0 0 340.431 2.101 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000015614541 462957707 /nfs/dbraw/zinc/95/77/07/462957707.db2.gz SIMWSBUICGXCMW-UHFFFAOYSA-N 0 0 334.397 2.164 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000016004991 462967965 /nfs/dbraw/zinc/96/79/65/462967965.db2.gz CSVVOPRYCJAYOL-HNENSFHCSA-N 0 0 343.452 2.316 40 0 EEABRN CC(C)CCOCCOCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000017952018 463003192 /nfs/dbraw/zinc/00/31/92/463003192.db2.gz DHCGAAHAIHWWJT-WNKDZCFJSA-N 0 0 335.444 2.263 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)NC2CC(c3ccccc3)C2)CCS1(=O)=O ZINC000077661948 463018969 /nfs/dbraw/zinc/01/89/69/463018969.db2.gz KFRAZFJFHMKXMP-LOCSVTFISA-N 0 0 336.457 2.150 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000077724102 463031291 /nfs/dbraw/zinc/03/12/91/463031291.db2.gz CGCMJVOFBPLUJJ-LLVKDONJSA-N 0 0 333.367 2.416 40 0 EEABRN COc1cc2c(cc1OC)CN(C(=O)c1ccc([N-][N+]#N)nc1)CC2 ZINC000095479346 463093649 /nfs/dbraw/zinc/09/36/49/463093649.db2.gz WZWHDFKDGNBDMP-UHFFFAOYSA-O 0 0 340.363 2.477 40 0 EEABRN C[C@@H]1CCc2nc(NC(=O)NCCCN3CCOCC3)sc2C1 ZINC000025540980 463128881 /nfs/dbraw/zinc/12/88/81/463128881.db2.gz AYFYXJMHFWKNTQ-GFCCVEGCSA-N 0 0 338.477 2.112 40 0 EEABRN Cc1cccc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000096041874 463146371 /nfs/dbraw/zinc/14/63/71/463146371.db2.gz XDBZRLSRGPFWPW-LZLYRXPVSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)no1 ZINC000096042315 463147681 /nfs/dbraw/zinc/14/76/81/463147681.db2.gz AGWILQGWEFWYOF-HRCADAONSA-N 0 0 333.363 2.328 40 0 EEABRN O=C(c1ccncc1)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042517 463148326 /nfs/dbraw/zinc/14/83/26/463148326.db2.gz KKXIVYZLFRVMBI-KURKYZTESA-N 0 0 339.395 2.065 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)c2cscn2)C3)o1 ZINC000096046448 463150294 /nfs/dbraw/zinc/15/02/94/463150294.db2.gz NKVANJMHYFFKDR-UHFFFAOYSA-N 0 0 331.397 2.033 40 0 EEABRN c1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096049137 463153632 /nfs/dbraw/zinc/15/36/32/463153632.db2.gz PYIWXQSQNGOUFJ-QGZVFWFLSA-N 0 0 330.457 2.410 40 0 EEABRN Cc1ccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)o1 ZINC000096052375 463155981 /nfs/dbraw/zinc/15/59/81/463155981.db2.gz CKRGTMIHRJJVJU-MSOLQXFVSA-N 0 0 331.416 2.235 40 0 EEABRN O=C(c1ccncc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC000096055463 463158334 /nfs/dbraw/zinc/15/83/34/463158334.db2.gz JXSQPIOJQZDNON-USXIJHARSA-N 0 0 339.395 2.175 40 0 EEABRN O=C(C1CC=CC1)N1CCc2c(CNc3ncccn3)cncc2C1 ZINC000096067449 463164732 /nfs/dbraw/zinc/16/47/32/463164732.db2.gz RMJSFLFMPFBGJL-UHFFFAOYSA-N 0 0 335.411 2.335 40 0 EEABRN COCc1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000026547153 463167029 /nfs/dbraw/zinc/16/70/29/463167029.db2.gz UFOGTCRMILGKIU-UHFFFAOYSA-N 0 0 335.381 2.420 40 0 EEABRN C[C@@H]1CN(C(=O)c2cccs2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2 ZINC000096087313 463170525 /nfs/dbraw/zinc/17/05/25/463170525.db2.gz HZULIKVJSQDJJT-XNJGSVPQSA-N 0 0 336.457 2.236 40 0 EEABRN CO[C@]1(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CCSC1 ZINC000096097646 463171981 /nfs/dbraw/zinc/17/19/81/463171981.db2.gz MYWXMIPERFNQMC-KRWDZBQOSA-N 0 0 349.431 2.478 40 0 EEABRN O=C(c1ncccn1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106519 463174782 /nfs/dbraw/zinc/17/47/82/463174782.db2.gz YCEOISAYIUUPDJ-INIZCTEOSA-N 0 0 345.443 2.162 40 0 EEABRN O=C(NC/C=C/c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000079032468 463181564 /nfs/dbraw/zinc/18/15/64/463181564.db2.gz PYLXNDROBBFMCE-WXJAXGNASA-N 0 0 326.318 2.227 40 0 EEABRN CCN(C(=O)NCC(C)(C)c1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000079036090 463181689 /nfs/dbraw/zinc/18/16/89/463181689.db2.gz QFSPKQBPWKDCKD-AWEZNQCLSA-N 0 0 340.489 2.429 40 0 EEABRN O=C(c1cc2c(s1)CCN2C(=O)c1ccccc1)N1CCOCC1 ZINC000096146793 463186542 /nfs/dbraw/zinc/18/65/42/463186542.db2.gz VVIKOEXWWKKBMQ-UHFFFAOYSA-N 0 0 342.420 2.423 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c1 ZINC000096186290 463197912 /nfs/dbraw/zinc/19/79/12/463197912.db2.gz XBCIMVIUNXKDPA-ROUUACIJSA-N 0 0 342.439 2.240 40 0 EEABRN Cc1ccc(N2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)nn1 ZINC000096186712 463198466 /nfs/dbraw/zinc/19/84/66/463198466.db2.gz SGDSMDFFHDXMBB-SQNIBIBYSA-N 0 0 347.459 2.355 40 0 EEABRN O=C(c1cccnc1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096187972 463199731 /nfs/dbraw/zinc/19/97/31/463199731.db2.gz CVEQWODBXDHXHM-OAHLLOKOSA-N 0 0 349.394 2.024 40 0 EEABRN O=C(C1CC=CC1)N1CCc2ccc(=O)n(Cc3cccnc3)c2CC1 ZINC000096196719 463201632 /nfs/dbraw/zinc/20/16/32/463201632.db2.gz VEUCWYYNSQXGDG-UHFFFAOYSA-N 0 0 349.434 2.185 40 0 EEABRN CN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1ccoc1)CC2 ZINC000096199498 463204228 /nfs/dbraw/zinc/20/42/28/463204228.db2.gz FXFPHMOWNISVLV-MRXNPFEDSA-N 0 0 339.395 2.295 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 ZINC000096202215 463207332 /nfs/dbraw/zinc/20/73/32/463207332.db2.gz UOPBLEPFWIUDSE-KRWDZBQOSA-N 0 0 347.440 2.101 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096219052 463216599 /nfs/dbraw/zinc/21/65/99/463216599.db2.gz BZPMILFKCIIIJL-MRXNPFEDSA-N 0 0 346.427 2.037 40 0 EEABRN O=C(Nc1cccnc1)[C@H]1C[C@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096226925 463220335 /nfs/dbraw/zinc/22/03/35/463220335.db2.gz OAQUFLMWZNDZOZ-QAPCUYQASA-N 0 0 328.416 2.384 40 0 EEABRN Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)c1 ZINC000096225458 463221158 /nfs/dbraw/zinc/22/11/58/463221158.db2.gz SWOTZJWDCBCALT-IBGZPJMESA-N 0 0 343.427 2.128 40 0 EEABRN CN(C)c1cccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)c1 ZINC000096227090 463221932 /nfs/dbraw/zinc/22/19/32/463221932.db2.gz YIYRZISXKMQBAP-XLIONFOSSA-N 0 0 341.455 2.227 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccnnc4)C3)CC2=O)cc1 ZINC000096238486 463223356 /nfs/dbraw/zinc/22/33/56/463223356.db2.gz VCYMJQQMZIVAPZ-LJQANCHMSA-N 0 0 336.395 2.054 40 0 EEABRN Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)nn1 ZINC000096246199 463227654 /nfs/dbraw/zinc/22/76/54/463227654.db2.gz VLVDDTAMRDAAPT-DZGCQCFKSA-N 0 0 328.441 2.445 40 0 EEABRN COCCN(C)C(=O)c1c2ccccn2c2ncnc(NC(C)C)c12 ZINC000096264407 463231779 /nfs/dbraw/zinc/23/17/79/463231779.db2.gz ZGJZNVPFVJHOQV-UHFFFAOYSA-N 0 0 341.415 2.421 40 0 EEABRN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1nnnn1-c1ccccc1 ZINC000096406935 463240044 /nfs/dbraw/zinc/24/00/44/463240044.db2.gz BEBWIOPCLSXBPL-NSHDSACASA-N 0 0 333.355 2.030 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)Cc2cccs2)c1 ZINC000096418460 463250685 /nfs/dbraw/zinc/25/06/85/463250685.db2.gz LAXSSBRYVRGULY-UHFFFAOYSA-N 0 0 342.417 2.319 40 0 EEABRN O=C(NN1CCOCC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096421657 463252961 /nfs/dbraw/zinc/25/29/61/463252961.db2.gz WQKWCSQDUKFUNS-VXGBXAGGSA-N 0 0 330.306 2.052 40 0 EEABRN CS(=O)(=O)CCCSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000096424977 463255304 /nfs/dbraw/zinc/25/53/04/463255304.db2.gz HIYSVHWFPFNZCD-UHFFFAOYSA-N 0 0 337.470 2.487 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc3cc[nH]c32)C1 ZINC000096430679 463259984 /nfs/dbraw/zinc/25/99/84/463259984.db2.gz FFMSFIKGBOLLDN-DZGCQCFKSA-N 0 0 343.427 2.171 40 0 EEABRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cn1 ZINC000096432146 463261443 /nfs/dbraw/zinc/26/14/43/463261443.db2.gz MSEIORUSGLLXMI-KURKYZTESA-N 0 0 335.407 2.277 40 0 EEABRN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000096434720 463262139 /nfs/dbraw/zinc/26/21/39/463262139.db2.gz GVOXTRZEPRBEAR-OAHLLOKOSA-N 0 0 345.378 2.096 40 0 EEABRN CNC(=O)Cc1ccc(N[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000096436881 463264568 /nfs/dbraw/zinc/26/45/68/463264568.db2.gz FRESPUIAHVDTIZ-ZDUSSCGKSA-N 0 0 336.399 2.124 40 0 EEABRN O=C(N[C@H]1CCc2ccc(F)cc21)N1CCN(Cc2ccon2)CC1 ZINC000096439991 463265742 /nfs/dbraw/zinc/26/57/42/463265742.db2.gz BSGCGKOXTMDJSI-KRWDZBQOSA-N 0 0 344.390 2.328 40 0 EEABRN CCn1nc(C)c(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1C ZINC000096439907 463266169 /nfs/dbraw/zinc/26/61/69/463266169.db2.gz JXYRNCKRPSMPJZ-NSHDSACASA-N 0 0 346.479 2.301 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)NCc2nnc3ccccn32)C12CCCC2 ZINC000096437544 463266326 /nfs/dbraw/zinc/26/63/26/463266326.db2.gz ISTLZDMBERKZRA-KGLIPLIRSA-N 0 0 343.431 2.266 40 0 EEABRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCNc1ccccc1 ZINC000096450311 463271821 /nfs/dbraw/zinc/27/18/21/463271821.db2.gz KJOMCIVMLONZRB-UHFFFAOYSA-N 0 0 328.416 2.218 40 0 EEABRN CC(C)N(C)c1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000096452223 463273091 /nfs/dbraw/zinc/27/30/91/463273091.db2.gz BQWFCDYGTYTXFS-UHFFFAOYSA-N 0 0 330.432 2.370 40 0 EEABRN Cn1cc(-c2nc(C[S@@](=O)C[C@H]3CCCCO3)cs2)cn1 ZINC000096452476 463273245 /nfs/dbraw/zinc/27/32/45/463273245.db2.gz MCCBJJVBPIKIOR-ASSNKEHSSA-N 0 0 325.459 2.361 40 0 EEABRN C[C@](NC(=O)C[C@@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454540 463274479 /nfs/dbraw/zinc/27/44/79/463274479.db2.gz WEYQKDOHHMTGIH-SWLSCSKDSA-N 0 0 344.333 2.091 40 0 EEABRN O=C(NCc1nc(CNC(=O)C2CCC2)cs1)c1ccccc1 ZINC000096455971 463275647 /nfs/dbraw/zinc/27/56/47/463275647.db2.gz DATQNIQREQJROO-UHFFFAOYSA-N 0 0 329.425 2.489 40 0 EEABRN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000096456487 463276219 /nfs/dbraw/zinc/27/62/19/463276219.db2.gz FUKBEPNTLYDHMA-KOLCDFICSA-N 0 0 348.790 2.046 40 0 EEABRN Cn1ncnc1CCNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000096461523 463276808 /nfs/dbraw/zinc/27/68/08/463276808.db2.gz FPQIXEXPNRMSPU-DLBZAZTESA-N 0 0 341.459 2.458 40 0 EEABRN O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccc(F)cc2o1 ZINC000096465892 463277598 /nfs/dbraw/zinc/27/75/98/463277598.db2.gz CAICLWJFNOIHCU-UHFFFAOYSA-N 0 0 332.312 2.312 40 0 EEABRN Cc1cc(CNC(=O)c2cc(Cl)ccn2)ccc1S(C)(=O)=O ZINC000096468322 463278410 /nfs/dbraw/zinc/27/84/10/463278410.db2.gz XQCOTTIPBHLPHU-UHFFFAOYSA-N 0 0 338.816 2.377 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000096476850 463280522 /nfs/dbraw/zinc/28/05/22/463280522.db2.gz QELWSPCRDQYVPG-LBPRGKRZSA-N 0 0 330.350 2.439 40 0 EEABRN C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000096490784 463286878 /nfs/dbraw/zinc/28/68/78/463286878.db2.gz BOUGOURLHCHXOR-YVEFUNNKSA-N 0 0 339.374 2.284 40 0 EEABRN C[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000096494003 463287820 /nfs/dbraw/zinc/28/78/20/463287820.db2.gz HQDWFHDJZHLHDZ-YOEHRIQHSA-N 0 0 328.416 2.134 40 0 EEABRN C[C@H](c1ccccn1)N1CCN(C(=O)NCCc2cscn2)CC1 ZINC000096503186 463292553 /nfs/dbraw/zinc/29/25/53/463292553.db2.gz BRNAWOYHOUDFRO-CQSZACIVSA-N 0 0 345.472 2.169 40 0 EEABRN COC(=O)[C@@H](Cc1ccccc1)Nc1ccc2c(c1)oc(=O)n2C ZINC000097377881 463357177 /nfs/dbraw/zinc/35/71/77/463357177.db2.gz QNFNFUXUAKWRHQ-CQSZACIVSA-N 0 0 326.352 2.328 40 0 EEABRN CN(Cc1nn(C)c(C#N)c1Br)C(=O)OC(C)(C)C ZINC000147831951 463396897 /nfs/dbraw/zinc/39/68/97/463396897.db2.gz XXLRKGVZBYVBNQ-UHFFFAOYSA-N 0 0 329.198 2.421 40 0 EEABRN O=C(N[C@H]1CCCc2nc(-c3ccccn3)ncc21)c1cnccn1 ZINC000071195773 463411553 /nfs/dbraw/zinc/41/15/53/463411553.db2.gz NXYOBEAXRDUAJF-AWEZNQCLSA-N 0 0 332.367 2.136 40 0 EEABRN CCN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000041184977 463471986 /nfs/dbraw/zinc/47/19/86/463471986.db2.gz WLCIDWSVZNKVOP-UHFFFAOYSA-N 0 0 348.834 2.487 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@@H]1c1cccc(F)c1 ZINC000072241787 463486421 /nfs/dbraw/zinc/48/64/21/463486421.db2.gz YDZGNWKKDHUACJ-IRXDYDNUSA-N 0 0 334.391 2.127 40 0 EEABRN Cc1ccc([C@@](C)(O)CNC(=O)c2cc(Br)cn2C)o1 ZINC000081834399 463498895 /nfs/dbraw/zinc/49/88/95/463498895.db2.gz CBUDWDTUNSYCOY-AWEZNQCLSA-N 0 0 341.205 2.327 40 0 EEABRN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000072352387 463509622 /nfs/dbraw/zinc/50/96/22/463509622.db2.gz OUJUTBDRKCICQT-LBPRGKRZSA-N 0 0 345.468 2.138 40 0 EEABRN Fc1cnc(N[C@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)nc1 ZINC000107731224 463581136 /nfs/dbraw/zinc/58/11/36/463581136.db2.gz NWGHCNJMFFIDLZ-CJNGLKHVSA-N 0 0 349.435 2.308 40 0 EEABRN Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 ZINC000042667560 463586366 /nfs/dbraw/zinc/58/63/66/463586366.db2.gz YDJGGEPDQPWPQA-ZDUSSCGKSA-N 0 0 337.372 2.252 40 0 EEABRN COCCN1CCCC2(CCN(C(=O)c3ccccc3C)CC2)C1=O ZINC000108530705 463609711 /nfs/dbraw/zinc/60/97/11/463609711.db2.gz CBZRBPMVLUBXSB-UHFFFAOYSA-N 0 0 344.455 2.486 40 0 EEABRN O=C(C1CC=CC1)N1CCC2(CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108526157 463610004 /nfs/dbraw/zinc/61/00/04/463610004.db2.gz VSVGZCMYXOKYKZ-UHFFFAOYSA-N 0 0 339.439 2.389 40 0 EEABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@@]1(CO)C=C[C@@H]2O1 ZINC000169301985 463670925 /nfs/dbraw/zinc/67/09/25/463670925.db2.gz YWKKQTJSTXXAPM-NTLWEQJWSA-N 0 0 347.370 2.159 40 0 EEABRN Cc1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)o1 ZINC000044872408 463697676 /nfs/dbraw/zinc/69/76/76/463697676.db2.gz QDIFMJKTOZDEPV-VIFPVBQESA-N 0 0 326.399 2.085 40 0 EEABRN CC(C)n1nccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000044875181 463697725 /nfs/dbraw/zinc/69/77/25/463697725.db2.gz QGLVYFKRGQAKLO-UHFFFAOYSA-N 0 0 345.422 2.364 40 0 EEABRN CN(Cc1ccc(F)cc1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000044894446 463699073 /nfs/dbraw/zinc/69/90/73/463699073.db2.gz UIQHUSBUWJHKQB-UHFFFAOYSA-N 0 0 329.375 2.330 40 0 EEABRN O=C(CC1OCCCO1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000193620375 463721524 /nfs/dbraw/zinc/72/15/24/463721524.db2.gz XQGKAOJZNQXHQK-HOTGVXAUSA-N 0 0 337.391 2.393 40 0 EEABRN Cc1nn(CCCNC(=O)Cc2c(C)nn(C)c2C)c2ccccc12 ZINC000257173118 463756123 /nfs/dbraw/zinc/75/61/23/463756123.db2.gz DAPBSOAOYSKFAS-UHFFFAOYSA-N 0 0 339.443 2.444 40 0 EEABRN Cc1cc(Nc2ccnc(C[C@@H]3CCN(C(=O)C4CC4)C3)n2)n[nH]1 ZINC000257282118 463760026 /nfs/dbraw/zinc/76/00/26/463760026.db2.gz OSJVLCGHLICCMN-LBPRGKRZSA-N 0 0 326.404 2.053 40 0 EEABRN CCCn1cc(CN2CCC[C@@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280809 463760636 /nfs/dbraw/zinc/76/06/36/463760636.db2.gz OMNFOUQXGWPMEB-GOSISDBHSA-N 0 0 342.447 2.056 40 0 EEABRN CC(=O)N[C@@H](c1nccs1)C1CCN(c2ccnc(C)n2)CC1 ZINC000257282903 463762127 /nfs/dbraw/zinc/76/21/27/463762127.db2.gz OVUUQIBJOXHMMH-OAHLLOKOSA-N 0 0 331.445 2.335 40 0 EEABRN O=C(CCc1cccs1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257290704 463764851 /nfs/dbraw/zinc/76/48/51/463764851.db2.gz QEACYLXJZHVRBN-HNNXBMFYSA-N 0 0 331.441 2.331 40 0 EEABRN Cn1ccnc1-c1cnc(CC2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000257293992 463765832 /nfs/dbraw/zinc/76/58/32/463765832.db2.gz QRYYYBKCLJWJKU-UHFFFAOYSA-N 0 0 339.443 2.458 40 0 EEABRN CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)C1CCCC1 ZINC000257295903 463766683 /nfs/dbraw/zinc/76/66/83/463766683.db2.gz RAIRLNBRSFFREU-SFHVURJKSA-N 0 0 335.423 2.201 40 0 EEABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccnn1C(C)C)C2 ZINC000257301263 463768451 /nfs/dbraw/zinc/76/84/51/463768451.db2.gz RXRZMKQJZMVXFE-LKCYJCQHSA-N 0 0 344.459 2.468 40 0 EEABRN COc1ccc(C(=O)N2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000257301506 463768514 /nfs/dbraw/zinc/76/85/14/463768514.db2.gz RYTOGYKQJMLTMT-OAHLLOKOSA-N 0 0 326.396 2.422 40 0 EEABRN Cc1ccc(CN2C(=O)C[C@]23COCCN(C(=O)C2CCC2)C3)cc1 ZINC000257305424 463769826 /nfs/dbraw/zinc/76/98/26/463769826.db2.gz SPYLTDAZYWXNCH-FQEVSTJZSA-N 0 0 342.439 2.125 40 0 EEABRN O=C(CC1CCCCC1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257308682 463771662 /nfs/dbraw/zinc/77/16/62/463771662.db2.gz TXRXUBHHQYJINL-INIZCTEOSA-N 0 0 333.432 2.313 40 0 EEABRN Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3ccnn3C)C2)n1 ZINC000257311242 463773947 /nfs/dbraw/zinc/77/39/47/463773947.db2.gz UIQJEFWUAFZMLP-QGZVFWFLSA-N 0 0 341.459 2.184 40 0 EEABRN Cn1nc(C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1C(F)(F)F ZINC000257316158 463775311 /nfs/dbraw/zinc/77/53/11/463775311.db2.gz VEJWVDJHNGLSDS-SNVBAGLBSA-N 0 0 339.321 2.249 40 0 EEABRN CC(C)c1ncc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000257320235 463776293 /nfs/dbraw/zinc/77/62/93/463776293.db2.gz VVWIKFPDUCDFNW-BRWVUGGUSA-N 0 0 341.411 2.301 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257334749 463782172 /nfs/dbraw/zinc/78/21/72/463782172.db2.gz YHGCHYBTKKPJCM-KBPBESRZSA-N 0 0 328.393 2.005 40 0 EEABRN Cc1ncsc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 ZINC000257336799 463783849 /nfs/dbraw/zinc/78/38/49/463783849.db2.gz YQBPNPGXPLCUAM-UHFFFAOYSA-N 0 0 338.458 2.048 40 0 EEABRN CCCn1ccnc1CN1CCC[C@@H]1c1nccc(CNC(C)=O)n1 ZINC000257341952 463786100 /nfs/dbraw/zinc/78/61/00/463786100.db2.gz ZMOBFTZMZBKKCG-MRXNPFEDSA-N 0 0 342.447 2.056 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCCC[C@H]2C)n1 ZINC000260737792 463792255 /nfs/dbraw/zinc/79/22/55/463792255.db2.gz OKLHUDMSJRZLRK-CYBMUJFWSA-N 0 0 337.493 2.487 40 0 EEABRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCN(Cc2ccccn2)CC1 ZINC000194327000 463837466 /nfs/dbraw/zinc/83/74/66/463837466.db2.gz XGYNHBQBLBQYSJ-HSALFYBXSA-N 0 0 348.450 2.247 40 0 EEABRN Cc1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1OC(C)C ZINC000278766239 463983258 /nfs/dbraw/zinc/98/32/58/463983258.db2.gz WAJPRLKIVPHGLT-UHFFFAOYSA-N 0 0 340.445 2.481 40 0 EEABRN CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000195545446 464074518 /nfs/dbraw/zinc/07/45/18/464074518.db2.gz ULAHCMOCNLTYAH-BDTDXFHBSA-N 0 0 346.537 2.409 40 0 EEABRN COc1cccc(C(=O)N2CCCN(c3nc(C)cnc3C)CC2)c1 ZINC000195563748 464077483 /nfs/dbraw/zinc/07/74/83/464077483.db2.gz JEQWGSMOXGYJBQ-UHFFFAOYSA-N 0 0 340.427 2.455 40 0 EEABRN Cc1cccc(C[NH+]2CCC(NC(=O)N(C)CC3CC(O)C3)CC2)c1 ZINC000195575693 464079715 /nfs/dbraw/zinc/07/97/15/464079715.db2.gz XTDVDMTWSBARQQ-UHFFFAOYSA-N 0 0 345.487 2.372 40 0 EEABRN Cc1ncsc1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000195576350 464080416 /nfs/dbraw/zinc/08/04/16/464080416.db2.gz KBWDRMKUBWWYLD-UHFFFAOYSA-N 0 0 344.318 2.120 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 ZINC000225410771 464158169 /nfs/dbraw/zinc/15/81/69/464158169.db2.gz BOLGCSMSJMAZJB-LBPRGKRZSA-N 0 0 348.424 2.094 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1 ZINC000225430721 464159417 /nfs/dbraw/zinc/15/94/17/464159417.db2.gz FGYOSYLUQNVBCQ-HNNXBMFYSA-N 0 0 330.363 2.287 40 0 EEABRN OC[C@H](Cc1ccccc1)Nc1cc(N2CCSCC2)ncn1 ZINC000225489272 464164607 /nfs/dbraw/zinc/16/46/07/464164607.db2.gz AJCXXOWKGFYMTG-HNNXBMFYSA-N 0 0 330.457 2.045 40 0 EEABRN COC(=O)c1cc(C(=O)Nc2cccc(-c3noc(C)n3)c2)no1 ZINC000225557337 464170984 /nfs/dbraw/zinc/17/09/84/464170984.db2.gz QZGHEEOPXNBSIJ-UHFFFAOYSA-N 0 0 328.284 2.072 40 0 EEABRN CC(C)N(C)C(=O)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000225590428 464173618 /nfs/dbraw/zinc/17/36/18/464173618.db2.gz LQJMYEYIIZZINZ-UHFFFAOYSA-N 0 0 345.168 2.363 40 0 EEABRN Cc1nsc2ncn(C[C@@H](O)COc3cc(C)ccc3C)c(=O)c12 ZINC000225576721 464173804 /nfs/dbraw/zinc/17/38/04/464173804.db2.gz WAXAIWWQXFETLM-CYBMUJFWSA-N 0 0 345.424 2.218 40 0 EEABRN C[C@H](C(=O)N(C)C)S(=O)(=O)N(c1cccc(F)c1)C1CCCC1 ZINC000225580535 464173862 /nfs/dbraw/zinc/17/38/62/464173862.db2.gz SWISTYKBYBVGLF-GFCCVEGCSA-N 0 0 342.436 2.381 40 0 EEABRN Cc1noc(CN2CCN(C(=O)c3cccc(Cl)c3C)CC2)n1 ZINC000225625643 464176499 /nfs/dbraw/zinc/17/64/99/464176499.db2.gz RSKCXNOAISXIFH-UHFFFAOYSA-N 0 0 334.807 2.298 40 0 EEABRN CO[C@H](CNC(=O)c1cccn(C)c1=O)c1ccc(Cl)s1 ZINC000225700641 464181160 /nfs/dbraw/zinc/18/11/60/464181160.db2.gz CDBMBKPBMWDNNA-SNVBAGLBSA-N 0 0 326.805 2.218 40 0 EEABRN COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2ncc(C)s2)C1=O ZINC000179754659 464181704 /nfs/dbraw/zinc/18/17/04/464181704.db2.gz GYMNYUZOGSDIRO-QGZVFWFLSA-N 0 0 343.408 2.354 40 0 EEABRN Cn1nc2c(cc1=O)C[C@H](C(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000225741393 464181772 /nfs/dbraw/zinc/18/17/72/464181772.db2.gz RPAKEKPDJWMNRZ-KDOFPFPSSA-N 0 0 337.423 2.079 40 0 EEABRN CO[C@@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1cnn(C)c1 ZINC000281212619 464373444 /nfs/dbraw/zinc/37/34/44/464373444.db2.gz NVUUFNYHHGSZGF-GFCCVEGCSA-N 0 0 348.428 2.358 40 0 EEABRN Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccc(F)cc3F)CC2)n1 ZINC000239593093 464444423 /nfs/dbraw/zinc/44/44/23/464444423.db2.gz DOOVJEAUOLOFAH-UHFFFAOYSA-N 0 0 348.353 2.168 40 0 EEABRN CNS(=O)(=O)c1cccc2c1CCN([C@H](C)c1ccccn1)C2 ZINC000240894775 464449258 /nfs/dbraw/zinc/44/92/58/464449258.db2.gz IPUHTFJQCAGXOD-CYBMUJFWSA-N 0 0 331.441 2.109 40 0 EEABRN O=C(NC[C@@H](O)c1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000241338694 464452246 /nfs/dbraw/zinc/45/22/46/464452246.db2.gz MDBKZQDGPYNCFE-DGCLKSJQSA-N 0 0 328.206 2.025 40 0 EEABRN COC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242575023 464457283 /nfs/dbraw/zinc/45/72/83/464457283.db2.gz NPBZAWBPJPJCOK-BBWFWOEESA-N 0 0 335.400 2.109 40 0 EEABRN C[S@](=O)CCNC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000245338862 464471347 /nfs/dbraw/zinc/47/13/47/464471347.db2.gz OYVCANJCZFNOQY-HFGRPIQASA-N 0 0 334.363 2.239 40 0 EEABRN C[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)c1nncn1C ZINC000182398371 464644671 /nfs/dbraw/zinc/64/46/71/464644671.db2.gz WPISLCMQVFTIRH-MFKMUULPSA-N 0 0 333.367 2.228 40 0 EEABRN Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1cccnc1)C2 ZINC000247507627 464687676 /nfs/dbraw/zinc/68/76/76/464687676.db2.gz HJLPBOFMIYMYHO-HNNXBMFYSA-N 0 0 329.375 2.286 40 0 EEABRN CC[C@]1(CO)CCCN1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000190830514 464728188 /nfs/dbraw/zinc/72/81/88/464728188.db2.gz JVBIJJHHOJXBFV-LJQANCHMSA-N 0 0 346.475 2.305 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)Cc2cncn21 ZINC000248080898 464728395 /nfs/dbraw/zinc/72/83/95/464728395.db2.gz VHXSVSUQNWWVBB-AWEZNQCLSA-N 0 0 339.399 2.003 40 0 EEABRN COc1ccnc(CN2CCC[C@H](c3nncn3C3CC3)C2)c1OC ZINC000190911313 464743623 /nfs/dbraw/zinc/74/36/23/464743623.db2.gz CWURYTHJXQSDER-ZDUSSCGKSA-N 0 0 343.431 2.405 40 0 EEABRN C[C@H](c1nnnn1C1CC1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000191961252 464835607 /nfs/dbraw/zinc/83/56/07/464835607.db2.gz CRPLEHAIHQPJQX-LLVKDONJSA-N 0 0 346.460 2.025 40 0 EEABRN COC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C[C@@H](C)O1 ZINC000251665602 464939210 /nfs/dbraw/zinc/93/92/10/464939210.db2.gz IFIKQYWGXFILFK-FEFYEGHMSA-N 0 0 330.428 2.160 40 0 EEABRN C[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000192565171 464948789 /nfs/dbraw/zinc/94/87/89/464948789.db2.gz FDUBDYZZLFIYKD-KOLCDFICSA-N 0 0 332.231 2.252 40 0 EEABRN O=C(NCCCCc1ccc(F)c(F)c1)N1CC[C@@](F)(CO)C1 ZINC000252479427 464960782 /nfs/dbraw/zinc/96/07/82/464960782.db2.gz BEXKSQHSSQFUMP-INIZCTEOSA-N 0 0 330.350 2.403 40 0 EEABRN CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000252485710 464964213 /nfs/dbraw/zinc/96/42/13/464964213.db2.gz HBXSEFYZTFNDOQ-OAHLLOKOSA-N 0 0 343.431 2.408 40 0 EEABRN Cc1nccc(CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1 ZINC000252507640 464973822 /nfs/dbraw/zinc/97/38/22/464973822.db2.gz WQKPGKMTCMMRIM-KKBVYLPWSA-N 0 0 332.448 2.256 40 0 EEABRN CCn1ncnc1CN(C)[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000252518186 464979417 /nfs/dbraw/zinc/97/94/17/464979417.db2.gz AGOSAFMBJCBXCR-AEFFLSMTSA-N 0 0 343.475 2.019 40 0 EEABRN COC(=O)CC1(CNC(=O)[C@@H]2CCCc3nn(C)cc32)CCCCC1 ZINC000253395362 464999046 /nfs/dbraw/zinc/99/90/46/464999046.db2.gz JSAXONNUGJJVHP-CQSZACIVSA-N 0 0 347.459 2.470 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 ZINC000253394749 464999071 /nfs/dbraw/zinc/99/90/71/464999071.db2.gz BJRFLZCALDGWRQ-KMUNFCNLSA-N 0 0 327.783 2.474 40 0 EEABRN CS[C@@H](C)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000253416733 465004315 /nfs/dbraw/zinc/00/43/15/465004315.db2.gz UIPIGVNUAOACNX-LBPRGKRZSA-N 0 0 327.494 2.361 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)sc1C ZINC000253421194 465008642 /nfs/dbraw/zinc/00/86/42/465008642.db2.gz ROQBOEFOAKRTCG-CYBMUJFWSA-N 0 0 342.486 2.005 40 0 EEABRN COc1cc(=O)n(CCO[C@H]2CCCCO2)cc1Br ZINC000192840429 465008513 /nfs/dbraw/zinc/00/85/13/465008513.db2.gz ATVNLVIAAOBXBW-ZDUSSCGKSA-N 0 0 332.194 2.163 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000331979510 466332128 /nfs/dbraw/zinc/33/21/28/466332128.db2.gz AYPMWIASSRMRHU-MRXNPFEDSA-N 0 0 343.427 2.486 40 0 EEABRN Cc1cc(CN2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)no1 ZINC000306133672 466491890 /nfs/dbraw/zinc/49/18/90/466491890.db2.gz MSLNUSJSUQQJIU-SFHVURJKSA-N 0 0 339.399 2.176 40 0 EEABRN CCOC[C@H]1CCN(C)C2(CN(C(=O)c3cc(C4CC4)on3)C2)C1 ZINC000306134994 466492222 /nfs/dbraw/zinc/49/22/22/466492222.db2.gz OEAPUCWFYLRKGL-ZDUSSCGKSA-N 0 0 333.432 2.125 40 0 EEABRN COc1c(NC(=O)c2cc(C)[nH]n2)cc(Cl)cc1C(=O)N(C)C ZINC000390833583 467413843 /nfs/dbraw/zinc/41/38/43/467413843.db2.gz JTBZXLCDTPLUJZ-UHFFFAOYSA-N 0 0 336.779 2.334 40 0 EEABRN COc1ccc(C(=O)NC(=O)CSc2cc(C#N)ccn2)cc1 ZINC000390834367 467414171 /nfs/dbraw/zinc/41/41/71/467414171.db2.gz XFTRINWXFYZQPE-UHFFFAOYSA-N 0 0 327.365 2.011 40 0 EEABRN C[C@@H]1CCCCCN1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000390835125 467415230 /nfs/dbraw/zinc/41/52/30/467415230.db2.gz DHWQREOXFWKLBC-GFCCVEGCSA-N 0 0 340.449 2.128 40 0 EEABRN Cn1cc([C@](C)(O)CNC(=O)c2cccc(C(F)F)c2F)cn1 ZINC000528708279 467732737 /nfs/dbraw/zinc/73/27/37/467732737.db2.gz TXQYHKAROALUTL-OAHLLOKOSA-N 0 0 327.306 2.134 40 0 EEABRN CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1 ZINC000575403877 468141448 /nfs/dbraw/zinc/14/14/48/468141448.db2.gz IFWFMNUDJBPDIE-GOSISDBHSA-N 0 0 343.427 2.156 40 0 EEABRN Cc1cncc(OCC[C@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)n1 ZINC000575406304 468142790 /nfs/dbraw/zinc/14/27/90/468142790.db2.gz ZOZTZINWKNDBJY-HNNXBMFYSA-N 0 0 345.443 2.362 40 0 EEABRN C[C@@]1(NC(=O)Oc2ccc(-n3cccc3)cc2)CCS(=O)(=O)C1 ZINC000575422172 468143166 /nfs/dbraw/zinc/14/31/66/468143166.db2.gz ADZUMVGWLQYOPG-MRXNPFEDSA-N 0 0 334.397 2.143 40 0 EEABRN C[C@@H](C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000572099401 468884422 /nfs/dbraw/zinc/88/44/22/468884422.db2.gz MPMOUAUYDWOSJV-GFCCVEGCSA-N 0 0 338.835 2.451 40 0 EEABRN C[C@@H]1c2nnc(COc3ccccn3)n2CCN1C(=O)C1=CCCC1 ZINC000585097071 468965859 /nfs/dbraw/zinc/96/58/59/468965859.db2.gz HEBILVFBSSXVTD-CYBMUJFWSA-N 0 0 339.399 2.266 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)Cc2ccc(C)cc2)C1 ZINC000585099160 468967247 /nfs/dbraw/zinc/96/72/47/468967247.db2.gz QUPLXOPZRGHBCR-QGZVFWFLSA-N 0 0 339.439 2.134 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 ZINC000585101117 468969355 /nfs/dbraw/zinc/96/93/55/468969355.db2.gz FOCPIBMMYJTNLP-SFHVURJKSA-N 0 0 345.447 2.076 40 0 EEABRN CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2c[nH]c3ccccc23)[C@H]1O ZINC000585183782 468995303 /nfs/dbraw/zinc/99/53/03/468995303.db2.gz GXBNUQNVDJUQCG-ZHALLVOQSA-N 0 0 330.428 2.487 40 0 EEABRN CS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000665187421 471965806 /nfs/dbraw/zinc/96/58/06/471965806.db2.gz BPLOHUKQMQWCCR-RRFJBIMHSA-N 0 0 328.478 2.174 40 0 EEABRN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1c[nH]c(=O)c(Cl)c1 ZINC000390827531 485668062 /nfs/dbraw/zinc/66/80/62/485668062.db2.gz HICLAFDWMIPFLG-GFCCVEGCSA-N 0 0 336.779 2.459 40 0 EEABRN Cc1ccc2nc(S[C@H](C)c3nnnn3C3CC3)n(C)c(=O)c2c1 ZINC000187889048 534509047 /nfs/dbraw/zinc/50/90/47/534509047.db2.gz YNDOMLYMRHJBIA-SNVBAGLBSA-N 0 0 342.428 2.417 40 0 EEABRN CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C)cc2OC)C1 ZINC000044867067 521288795 /nfs/dbraw/zinc/28/87/95/521288795.db2.gz NWORWDSROARCPO-AWEZNQCLSA-N 0 0 335.400 2.184 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC(c3cncc(C)n3)CC2)ccn1 ZINC000257254702 534681355 /nfs/dbraw/zinc/68/13/55/534681355.db2.gz KEHWESMSMRRDQH-UHFFFAOYSA-N 0 0 339.399 2.158 40 0 EEABRN Cc1ncc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(C)n1 ZINC000181498864 534728772 /nfs/dbraw/zinc/72/87/72/534728772.db2.gz BFLMESYLOHNRML-UHFFFAOYSA-N 0 0 334.383 2.008 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC000238933495 526982885 /nfs/dbraw/zinc/98/28/85/526982885.db2.gz VHCMTSGVESYYMH-SNVBAGLBSA-N 0 0 341.289 2.483 40 0 EEABRN CC(C)(OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)C(=O)c1ccccc1 ZINC000408649725 527369049 /nfs/dbraw/zinc/36/90/49/527369049.db2.gz ABQNPAHKPFEYGJ-XLWJZTARSA-N 0 0 328.364 2.389 40 0 EEABRN CC1(C)[C@H](NC(=O)c2cc[nH]c(=O)c2)C[C@@H]1OCc1ccccc1 ZINC000186535791 527864944 /nfs/dbraw/zinc/86/49/44/527864944.db2.gz UYUVIZWILSOICN-CVEARBPZSA-N 0 0 326.396 2.489 40 0 EEABRN CCCCc1nc(CN2CCOC[C@@H]2c2nc(C)cc(NC)n2)c[nH]1 ZINC000257270921 535101857 /nfs/dbraw/zinc/10/18/57/535101857.db2.gz MWEUFGJNLJYNGZ-OAHLLOKOSA-N 0 0 344.463 2.466 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1cccc(OC)c1 ZINC000257202594 535427131 /nfs/dbraw/zinc/42/71/31/535427131.db2.gz AMODGPBKDJTELT-AEFFLSMTSA-N 0 0 348.443 2.100 40 0 EEABRN CCS(=O)(=O)CCN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245339517 535628925 /nfs/dbraw/zinc/62/89/25/535628925.db2.gz UDIXLGGUVPNDDQ-WBVHZDCISA-N 0 0 325.474 2.500 40 0 EEABRN CCOC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3oc2=O)CC1 ZINC000226037437 535776434 /nfs/dbraw/zinc/77/64/34/535776434.db2.gz XEAKYGAHVZQCAP-UHFFFAOYSA-N 0 0 344.367 2.016 40 0 EEABRN COc1cccc(S(=O)(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)c1 ZINC000257212377 537136052 /nfs/dbraw/zinc/13/60/52/537136052.db2.gz CDCPPKQRGLQSTA-CQSZACIVSA-N 0 0 347.440 2.280 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCO[C@@H](c2ccnn2C)C1)C(F)(F)F ZINC000931039429 1206602214 /nfs/dbraw/zinc/60/22/14/1206602214.db2.gz PBSUKNNAYDOFOR-NEPJUHHUSA-N 0 0 334.342 2.090 40 0 EEABRN CN1C[C@@H](CCNC(=O)Nc2cc(-c3ccccc3F)on2)CC1=O ZINC000931150734 1206611227 /nfs/dbraw/zinc/61/12/27/1206611227.db2.gz HMHOOIRQSPHOEU-NSHDSACASA-N 0 0 346.362 2.471 40 0 EEABRN O=C(Nc1ncccn1)c1ccc(Cn2cc(Br)cn2)o1 ZINC000028227610 1351801259 /nfs/dbraw/zinc/80/12/59/1351801259.db2.gz HRXZCHZOBAAAEF-UHFFFAOYSA-N 0 0 348.160 2.329 40 0 EEABRN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCN(C)CC1 ZINC000027978728 1352373612 /nfs/dbraw/zinc/37/36/12/1352373612.db2.gz RZYZWLISZDRLEZ-UHFFFAOYSA-N 0 0 326.444 2.196 40 0 EEABRN O=C(Cc1nncs1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000028541792 1352374813 /nfs/dbraw/zinc/37/48/13/1352374813.db2.gz AHQNLTZMBVPFSI-UHFFFAOYSA-N 0 0 329.425 2.278 40 0 EEABRN Cc1cn2nc(N[C@H]3CCN(Cc4c(F)cncc4F)C3)ccc2n1 ZINC000930564600 1410271304 /nfs/dbraw/zinc/27/13/04/1410271304.db2.gz VWHZRGZUEHJFFH-LBPRGKRZSA-N 0 0 344.369 2.397 40 0 EEABRN Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1N ZINC000003486533 803345891 /nfs/dbraw/zinc/34/58/91/803345891.db2.gz WNJOROQWRXCTSS-UHFFFAOYSA-N 0 0 332.216 2.338 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)N1Cc2ccccc2NC(=O)[C@H]1C ZINC001548453514 1124294701 /nfs/dbraw/zinc/29/47/01/1124294701.db2.gz GMIVQAGJRPLORA-GFCCVEGCSA-N 0 0 327.388 2.412 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCOc2cccc(C)c2)c1 ZINC000055413983 214322493 /nfs/dbraw/zinc/32/24/93/214322493.db2.gz NOALFSROBYEHIH-UHFFFAOYSA-N 0 0 349.408 2.139 40 0 EEABRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CSC ZINC000058227835 214511014 /nfs/dbraw/zinc/51/10/14/214511014.db2.gz QZBALODMVBBVCC-UHFFFAOYSA-N 0 0 343.348 2.290 40 0 EEABRN CCOC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)[nH]c1=S ZINC000100983781 219112950 /nfs/dbraw/zinc/11/29/50/219112950.db2.gz ICWHVYBPOMTLCX-UHFFFAOYSA-N 0 0 325.777 2.103 40 0 EEABRN C[C@H]1CN(C)c2ccccc2CN1Cc1nnnn1CC(F)(F)F ZINC000190930191 290816364 /nfs/dbraw/zinc/81/63/64/290816364.db2.gz BEMYORZSYFWAIO-NSHDSACASA-N 0 0 340.353 2.076 40 0 EEABRN COc1ccc(CNC(=O)Nc2cc(C)nn2-c2ccccn2)cn1 ZINC000043724463 213595467 /nfs/dbraw/zinc/59/54/67/213595467.db2.gz CWPBMAKPRPBQON-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCCS1(=O)=O ZINC000067601378 215165950 /nfs/dbraw/zinc/16/59/50/215165950.db2.gz DVYCNMQSDWWTQG-UHFFFAOYSA-N 0 0 337.319 2.080 40 0 EEABRN O=C(CN1CCN(C(=O)c2cc[nH]c2)CC1)Nc1ccccc1Cl ZINC000068232340 215292685 /nfs/dbraw/zinc/29/26/85/215292685.db2.gz LMYGBFYKJCKNHS-UHFFFAOYSA-N 0 0 346.818 2.065 40 0 EEABRN CC(C)CNC(=O)c1nn(C)c(NC(=O)Cc2ccccc2)c1F ZINC000041070628 213413627 /nfs/dbraw/zinc/41/36/27/213413627.db2.gz NXJRPOGLGCFKSX-UHFFFAOYSA-N 0 0 332.379 2.126 40 0 EEABRN COC(=O)Cc1nn(Cc2ccccc2F)c(=O)c2ccccc12 ZINC000040384841 213294642 /nfs/dbraw/zinc/29/46/42/213294642.db2.gz OEYUJSQFEVINMH-UHFFFAOYSA-N 0 0 326.327 2.299 40 0 EEABRN COC(=O)CCc1cc(=O)oc2ccc3cc(CC(=O)OC)oc3c12 ZINC000001708661 209784726 /nfs/dbraw/zinc/78/47/26/209784726.db2.gz LKMBELWIANUGOI-UHFFFAOYSA-N 0 0 344.319 2.360 40 0 EEABRN CN1C[C@@H](C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1=O ZINC000097236080 283191247 /nfs/dbraw/zinc/19/12/47/283191247.db2.gz GDDQFHYILDIJDG-JVXZTZIISA-N 0 0 336.260 2.163 40 0 EEABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3c3ncccn3)n2)cn1 ZINC000035426319 213026954 /nfs/dbraw/zinc/02/69/54/213026954.db2.gz HROOTDANEBUCRD-ZDUSSCGKSA-N 0 0 337.387 2.329 40 0 biogenic,in-vitro EEABRN CNC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 ZINC000000415413 209579739 /nfs/dbraw/zinc/57/97/39/209579739.db2.gz VGPSKJSBAKJCMZ-MRVPVSSYSA-N 0 0 347.469 2.302 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@H]1c1ccccc1F ZINC000072241531 216080343 /nfs/dbraw/zinc/08/03/43/216080343.db2.gz NPDONOZYORSMCQ-CVEARBPZSA-N 0 0 348.399 2.102 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1cccs1 ZINC000072238154 216077496 /nfs/dbraw/zinc/07/74/96/216077496.db2.gz SRYIQBVWJXKRFK-CZUORRHYSA-N 0 0 329.425 2.369 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072360331 216165925 /nfs/dbraw/zinc/16/59/25/216165925.db2.gz GKERSRWDNYANJB-AWEZNQCLSA-N 0 0 334.387 2.450 40 0 EEABRN Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360239 216166005 /nfs/dbraw/zinc/16/60/05/216166005.db2.gz WOGLMZGNJVFRHY-NSHDSACASA-N 0 0 339.446 2.082 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c1n2C ZINC000072335325 216156740 /nfs/dbraw/zinc/15/67/40/216156740.db2.gz WUHDYJFXEGOXOR-LLVKDONJSA-N 0 0 342.399 2.048 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 ZINC000072360545 216167803 /nfs/dbraw/zinc/16/78/03/216167803.db2.gz LWECFYYRYGIUDA-HNNXBMFYSA-N 0 0 344.459 2.340 40 0 EEABRN Nc1nc2nc([C@@H]3CCN(C(=O)c4cncs4)C3)ccc2s1 ZINC000072368443 216174318 /nfs/dbraw/zinc/17/43/18/216174318.db2.gz FGFNBWSWYCHXJQ-MRVPVSSYSA-N 0 0 331.426 2.360 40 0 EEABRN COc1cc(CCC(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)on1 ZINC000072369711 216178265 /nfs/dbraw/zinc/17/82/65/216178265.db2.gz ZXQFUHQPMJTPEW-CYBMUJFWSA-N 0 0 330.388 2.039 40 0 EEABRN Cc1cnccc1CN1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395025 216193186 /nfs/dbraw/zinc/19/31/86/216193186.db2.gz YUDPSALCTGWBGJ-XLIONFOSSA-N 0 0 335.407 2.207 40 0 EEABRN Cn1cc([C@@H]2CCN(C(=O)NCCc3ccc(F)c(F)c3)C2)cn1 ZINC000190331318 238395045 /nfs/dbraw/zinc/39/50/45/238395045.db2.gz PHOJZQLGGALMFN-CYBMUJFWSA-N 0 0 334.370 2.440 40 0 EEABRN Nc1c(Cl)cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000131401392 223230186 /nfs/dbraw/zinc/23/01/86/223230186.db2.gz UJWOHKPSSVBLMG-QMMMGPOBSA-N 0 0 328.199 2.069 40 0 EEABRN COc1ccc([C@H](NC(=O)Cn2cc(F)ccc2=O)C2CC2)cc1 ZINC000193724385 240282527 /nfs/dbraw/zinc/28/25/27/240282527.db2.gz HEZXUXOVAXFMKH-GOSISDBHSA-N 0 0 330.359 2.264 40 0 EEABRN CCn1cc(C(=O)N2CCN(CC)CC2)c(=O)c2cc(Cl)ccc21 ZINC000022234955 212283614 /nfs/dbraw/zinc/28/36/14/212283614.db2.gz MUCZXZQNPQHVBV-UHFFFAOYSA-N 0 0 347.846 2.453 40 0 EEABRN O=C(NC1CCCCC1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223351733 241638545 /nfs/dbraw/zinc/63/85/45/241638545.db2.gz AXLHNJWCHMXBNS-OAHLLOKOSA-N 0 0 344.411 2.355 40 0 EEABRN CCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000223827070 241696131 /nfs/dbraw/zinc/69/61/31/241696131.db2.gz HSBOGJUTDKOXIX-UHFFFAOYSA-N 0 0 344.502 2.334 40 0 EEABRN Cc1oc(C(C)C)cc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000225491429 241896761 /nfs/dbraw/zinc/89/67/61/241896761.db2.gz QULAOXBISOLVLG-HNNXBMFYSA-N 0 0 334.416 2.175 40 0 EEABRN CN(c1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225986344 242084043 /nfs/dbraw/zinc/08/40/43/242084043.db2.gz HEXPCFSHWKAKAO-UHFFFAOYSA-N 0 0 338.816 2.193 40 0 EEABRN CCc1nc(CNC(=O)COc2cccc3c2NC(=O)CC3)cs1 ZINC000227150864 242123233 /nfs/dbraw/zinc/12/32/33/242123233.db2.gz LRSMTDVXCVMBQF-UHFFFAOYSA-N 0 0 345.424 2.285 40 0 EEABRN CCn1ccc(NC(=O)Cn2cc(COc3cccc(C)c3)nn2)n1 ZINC000227161082 242125552 /nfs/dbraw/zinc/12/55/52/242125552.db2.gz KDDOMELAJSYACQ-UHFFFAOYSA-N 0 0 340.387 2.021 40 0 EEABRN Cc1cc(N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)nc(C)n1 ZINC000241776801 243000251 /nfs/dbraw/zinc/00/02/51/243000251.db2.gz RSRNUUMJKLHZSK-AWEZNQCLSA-N 0 0 330.436 2.311 40 0 EEABRN CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2CCCc3cccnc32)n1 ZINC000241738541 243001035 /nfs/dbraw/zinc/00/10/35/243001035.db2.gz QYJGDTFPADCDQE-WCQYABFASA-N 0 0 330.388 2.251 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CCO3)cn1 ZINC000248094571 243523917 /nfs/dbraw/zinc/52/39/17/243523917.db2.gz MEQBVSJDEQHMPH-MRXNPFEDSA-N 0 0 339.395 2.238 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)OCC[C@@H]2COCC1CCOCC1 ZINC000253480699 244002117 /nfs/dbraw/zinc/00/21/17/244002117.db2.gz YGZICQVGXSVWJN-MRXNPFEDSA-N 0 0 349.427 2.262 40 0 EEABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccncc2)c1 ZINC000020452933 212131005 /nfs/dbraw/zinc/13/10/05/212131005.db2.gz FIRCDKNEKUJTPC-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@H](c3nccc(C)n3)C2)cc1F ZINC000257201413 244122520 /nfs/dbraw/zinc/12/25/20/244122520.db2.gz AHQDEHFWLDVAFT-AWEZNQCLSA-N 0 0 329.375 2.491 40 0 EEABRN O=C(C1CCOCC1)N1CC2(C1)CO[C@@H](Cc1ccc(F)cc1)C2 ZINC000257221976 244189005 /nfs/dbraw/zinc/18/90/05/244189005.db2.gz DRJCPYBZTVMBQP-KRWDZBQOSA-N 0 0 333.403 2.412 40 0 EEABRN CO[C@@H]1CCCOC12CCN(S(=O)(=O)c1ccccc1C)CC2 ZINC000257223836 244194522 /nfs/dbraw/zinc/19/45/22/244194522.db2.gz DZCRAOLFVGVCCZ-MRXNPFEDSA-N 0 0 339.457 2.344 40 0 EEABRN CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O ZINC000257226781 244201164 /nfs/dbraw/zinc/20/11/64/244201164.db2.gz FMDADFBZYSXYKS-DJIMGWMZSA-N 0 0 337.464 2.417 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257231223 244213436 /nfs/dbraw/zinc/21/34/36/244213436.db2.gz GFVMIRYWKJQCTC-QLFBSQMISA-N 0 0 341.415 2.068 40 0 EEABRN Fc1ccnc(Nc2nccc([C@@H]3CCN(Cc4ncc[nH]4)C3)n2)c1 ZINC000257219779 244182005 /nfs/dbraw/zinc/18/20/05/244182005.db2.gz DICITLGLQCYNQT-GFCCVEGCSA-N 0 0 339.378 2.467 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)cs1 ZINC000257244983 244254950 /nfs/dbraw/zinc/25/49/50/244254950.db2.gz INPGJCOUORFXRZ-CYBMUJFWSA-N 0 0 345.472 2.238 40 0 EEABRN Cc1cc(N2CCOC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000257232756 244219664 /nfs/dbraw/zinc/21/96/64/244219664.db2.gz GMGOAVQFPJTIDD-UHFFFAOYSA-N 0 0 346.431 2.494 40 0 EEABRN Cc1cccc2nc(C(=O)N3CCC[C@H](c4ccnc(=O)[nH]4)C3)cn21 ZINC000257237112 244233679 /nfs/dbraw/zinc/23/36/79/244233679.db2.gz HFEZBDNQMSFOLL-ZDUSSCGKSA-N 0 0 337.383 2.158 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3snnc3C(C)C)CCO2)nc(C)n1 ZINC000257238253 244236234 /nfs/dbraw/zinc/23/62/34/244236234.db2.gz HKDWTPKYEDMINH-CYBMUJFWSA-N 0 0 347.444 2.282 40 0 EEABRN COc1ccc(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000020107965 212101460 /nfs/dbraw/zinc/10/14/60/212101460.db2.gz RKTVFYSBEBLRHJ-UHFFFAOYSA-N 0 0 348.424 2.272 40 0 EEABRN Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc3nc(C)cc(C)n3n2)C1 ZINC000257249353 244265097 /nfs/dbraw/zinc/26/50/97/244265097.db2.gz JHWGQPZBFDXLOT-AWEZNQCLSA-N 0 0 338.415 2.397 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257251280 244270566 /nfs/dbraw/zinc/27/05/66/244270566.db2.gz JQCFBKAWBCITKI-MRXNPFEDSA-N 0 0 341.459 2.313 40 0 EEABRN CNC(=O)[C@]1(CCCc2ccccn2)CCCN(c2cnccn2)C1 ZINC000257254422 244278026 /nfs/dbraw/zinc/27/80/26/244278026.db2.gz KCYXERXRMLKAJN-LJQANCHMSA-N 0 0 339.443 2.227 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2Cc2ccc(Cl)cn2)n1 ZINC000257259540 244293455 /nfs/dbraw/zinc/29/34/55/244293455.db2.gz KYVDEQZCNQLXCD-QGZVFWFLSA-N 0 0 345.834 2.498 40 0 EEABRN CO[C@@H]1CN(CC(=O)Nc2cccc3c2CCCC3)C[C@]12CCCO2 ZINC000257267027 244363584 /nfs/dbraw/zinc/36/35/84/244363584.db2.gz MFRFGGKTIIFCAM-UYAOXDASSA-N 0 0 344.455 2.384 40 0 EEABRN Cc1cc(N(C)C2CC3(C2)CCN(C(=O)c2cccn2C)C3)ncn1 ZINC000257260172 244345965 /nfs/dbraw/zinc/34/59/65/244345965.db2.gz LBQFNLFDCWQAMS-UHFFFAOYSA-N 0 0 339.443 2.255 40 0 EEABRN CS(=O)(=O)c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257274028 244385367 /nfs/dbraw/zinc/38/53/67/244385367.db2.gz NJFZMOFBEAUPGW-HNNXBMFYSA-N 0 0 331.441 2.260 40 0 EEABRN COc1ccc(OCC(=O)N2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000257275719 244391185 /nfs/dbraw/zinc/39/11/85/244391185.db2.gz NQQCZABTTIVQLQ-QGZVFWFLSA-N 0 0 328.368 2.069 40 0 EEABRN CC(=O)NC1CCN(C(=O)c2ccnc(Cc3ccccc3)c2)CC1 ZINC000257279731 244404297 /nfs/dbraw/zinc/40/42/97/244404297.db2.gz OHXXMFHBDDHDGB-UHFFFAOYSA-N 0 0 337.423 2.413 40 0 EEABRN Cc1cn(C)c([C@@H]2CN(C(=O)CCOc3ccccc3F)CCO2)n1 ZINC000257282424 244410870 /nfs/dbraw/zinc/41/08/70/244410870.db2.gz OTSUAVQAWDGPLG-INIZCTEOSA-N 0 0 347.390 2.237 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NCCC3=CCCCC3)cc2oc1=O ZINC000019936530 212086175 /nfs/dbraw/zinc/08/61/75/212086175.db2.gz QURQBPAQGPYHLZ-UHFFFAOYSA-N 0 0 336.413 2.300 40 0 EEABRN Cc1nc2nc(-c3ccc(NC(=O)[C@@H]4CCOC4)cc3)cn2nc1C ZINC000019657332 212052919 /nfs/dbraw/zinc/05/29/19/212052919.db2.gz UHYLZYAQGQCHGQ-CQSZACIVSA-N 0 0 337.383 2.383 40 0 EEABRN COc1cccc(CN2CCN(C(=O)c3ccccn3)[C@@H](C)C2)c1 ZINC000019575630 212046154 /nfs/dbraw/zinc/04/61/54/212046154.db2.gz HIRQHYJWFYNDJA-HNNXBMFYSA-N 0 0 325.412 2.437 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1C ZINC000019555519 212041138 /nfs/dbraw/zinc/04/11/38/212041138.db2.gz WOIFPGXNGAYZPI-CYBMUJFWSA-N 0 0 341.367 2.093 40 0 EEABRN O=C1C[C@@H](Nc2nccc(C(F)(F)F)n2)CN1CC(F)(F)F ZINC000077995764 217010965 /nfs/dbraw/zinc/01/09/65/217010965.db2.gz AYUYCEPNLIMSRF-ZCFIWIBFSA-N 0 0 328.216 2.071 40 0 EEABRN C[C@H](CNC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1 ZINC000048230001 213896898 /nfs/dbraw/zinc/89/68/98/213896898.db2.gz MYKBBOLWURIAJQ-CYBMUJFWSA-N 0 0 331.416 2.017 40 0 EEABRN COCC(=O)N[C@H](C(=O)Nc1cc(-n2cccc2)ccc1F)C(C)C ZINC000078102434 217022630 /nfs/dbraw/zinc/02/26/30/217022630.db2.gz LSMRHOAHEXVJMN-KRWDZBQOSA-N 0 0 347.390 2.342 40 0 EEABRN Cn1ncc2c1CCCN(C(=O)CCc1ccc3c(c1)OCO3)C2 ZINC000019289631 212011839 /nfs/dbraw/zinc/01/18/39/212011839.db2.gz HYZQYQDWXQWDAL-UHFFFAOYSA-N 0 0 327.384 2.056 40 0 EEABRN Cc1c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3c2cccc3C)cnn1C ZINC000019236656 212007652 /nfs/dbraw/zinc/00/76/52/212007652.db2.gz DHYHEMSRYIYRRH-GFCCVEGCSA-N 0 0 346.456 2.428 40 0 EEABRN Nc1nc(Cl)cc(N[C@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000078333872 217041653 /nfs/dbraw/zinc/04/16/53/217041653.db2.gz QLFGLBBYEGRDDB-GFCCVEGCSA-N 0 0 331.807 2.488 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000135020266 223543019 /nfs/dbraw/zinc/54/30/19/223543019.db2.gz YMANFOIBWISWOY-BBRMVZONSA-N 0 0 340.851 2.454 40 0 EEABRN CO[C@H]1CCC[C@@H](OC(=O)CSc2nnnn2C2CCCC2)C1 ZINC000078442323 217053803 /nfs/dbraw/zinc/05/38/03/217053803.db2.gz LYGUPQWJHWDZRD-QWHCGFSZSA-N 0 0 340.449 2.381 40 0 EEABRN CCCOc1cccc(OC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000078442716 217053945 /nfs/dbraw/zinc/05/39/45/217053945.db2.gz NUOZTMDDSXLHJK-CYBMUJFWSA-N 0 0 341.429 2.052 40 0 EEABRN C[C@]1(c2ccccn2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O ZINC000078471362 217058220 /nfs/dbraw/zinc/05/82/20/217058220.db2.gz FOXDEYLCTCPJHK-HXUWFJFHSA-N 0 0 349.390 2.220 40 0 EEABRN COCCCS(=O)(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000078923376 217148741 /nfs/dbraw/zinc/14/87/41/217148741.db2.gz POUBSNVLNVREBE-ZDUSSCGKSA-N 0 0 348.262 2.392 40 0 EEABRN O=C(CCCNC(=O)NCc1nccs1)N1CCc2ccccc21 ZINC000078925081 217148908 /nfs/dbraw/zinc/14/89/08/217148908.db2.gz QGEPTGGHMBIGLF-UHFFFAOYSA-N 0 0 344.440 2.312 40 0 EEABRN COC[C@@H]1CCCN(C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)C1 ZINC000079101569 217194095 /nfs/dbraw/zinc/19/40/95/217194095.db2.gz ZHUKMRCLRWAOPG-CQSZACIVSA-N 0 0 344.415 2.364 40 0 EEABRN O=C([C@H]1CCOC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000079116867 217197280 /nfs/dbraw/zinc/19/72/80/217197280.db2.gz FCLCMCHSKBMEJY-AWEZNQCLSA-N 0 0 342.361 2.386 40 0 EEABRN O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c2cccnc12 ZINC000079310249 217207015 /nfs/dbraw/zinc/20/70/15/217207015.db2.gz CNRWDNJHOWRHMM-JTQLQIEISA-N 0 0 338.816 2.195 40 0 EEABRN CC(=O)c1c(F)cccc1NCCCn1nc2n(c1=O)CCCC2 ZINC000079311208 217207503 /nfs/dbraw/zinc/20/75/03/217207503.db2.gz RPRORLPKKPXFQK-UHFFFAOYSA-N 0 0 332.379 2.225 40 0 EEABRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CCS(C)(=O)=O ZINC000080168018 217285134 /nfs/dbraw/zinc/28/51/34/217285134.db2.gz OZMNUKWMQHUZGV-IAQYHMDHSA-N 0 0 342.436 2.135 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c(C)o1 ZINC000080900364 217338405 /nfs/dbraw/zinc/33/84/05/217338405.db2.gz UEANQSGDFLQWJT-LIRRHRJNSA-N 0 0 342.395 2.346 40 0 EEABRN C[C@H]1C[C@H]1N1C[C@H](NC(=O)c2sccc2Br)CC1=O ZINC000081374751 217390484 /nfs/dbraw/zinc/39/04/84/217390484.db2.gz FLMLOHAQWZDIQP-QXFUBDJGSA-N 0 0 343.246 2.250 40 0 EEABRN Cc1ccccc1Cc1nc(CSCCS(C)(=O)=O)no1 ZINC000083092261 217515244 /nfs/dbraw/zinc/51/52/44/217515244.db2.gz AIEJSOMWRSMGAR-UHFFFAOYSA-N 0 0 326.443 2.247 40 0 EEABRN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1cncc(Br)c1 ZINC000086061020 217688959 /nfs/dbraw/zinc/68/89/59/217688959.db2.gz RVOJJXPAKNWJHB-VIFPVBQESA-N 0 0 339.189 2.012 40 0 EEABRN COC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C ZINC000013639262 211596503 /nfs/dbraw/zinc/59/65/03/211596503.db2.gz VIBIEWJTXFZMGM-UHFFFAOYSA-N 0 0 342.355 2.212 40 0 EEABRN Cc1cc(-c2cnn(CCNC(=O)[C@@H]3CCCO3)c2C2CC2)on1 ZINC000013226716 211537092 /nfs/dbraw/zinc/53/70/92/211537092.db2.gz LIOKMYOZAFTZPM-AWEZNQCLSA-N 0 0 330.388 2.019 40 0 EEABRN O=C(CCn1c(-c2cccnc2)cc2cccnc21)N1CCOCC1 ZINC000012328112 211349458 /nfs/dbraw/zinc/34/94/58/211349458.db2.gz ZDKSJUNYQJUUFW-UHFFFAOYSA-N 0 0 336.395 2.347 40 0 EEABRN COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 ZINC000012221401 211323801 /nfs/dbraw/zinc/32/38/01/211323801.db2.gz LRUDWJSDHIAKMS-UHFFFAOYSA-N 0 0 326.356 2.367 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCC(O)(c3ccccn3)CC2)c1 ZINC000012114524 211294294 /nfs/dbraw/zinc/29/42/94/211294294.db2.gz QPDRTSZMLCDCBL-UHFFFAOYSA-N 0 0 325.412 2.271 40 0 EEABRN COc1ncc(Cl)c(N2CCC(c3nncn3C3CC3)CC2)n1 ZINC000091483557 218012157 /nfs/dbraw/zinc/01/21/57/218012157.db2.gz OLLWPAIYGDBNRG-UHFFFAOYSA-N 0 0 334.811 2.449 40 0 EEABRN Cn1nc(C(=O)O[C@H](c2nccs2)c2ccccc2)ccc1=O ZINC000091767065 218062094 /nfs/dbraw/zinc/06/20/94/218062094.db2.gz DMBGZTIOKKXFGJ-AWEZNQCLSA-N 0 0 327.365 2.183 40 0 EEABRN COc1ccc(NC(=O)c2cnc3nc(SC)nn3c2C)cc1 ZINC000010338746 211165624 /nfs/dbraw/zinc/16/56/24/211165624.db2.gz MBXIPZDQDCKIPV-UHFFFAOYSA-N 0 0 329.385 2.416 40 0 EEABRN CCCN(CC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092837667 218174139 /nfs/dbraw/zinc/17/41/39/218174139.db2.gz HVLXOEAIHPWQFB-UHFFFAOYSA-N 0 0 329.404 2.225 40 0 EEABRN CCC[C@@H](C)NC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 ZINC000010010045 211140726 /nfs/dbraw/zinc/14/07/26/211140726.db2.gz MSLQWXFDQXJAPD-CYBMUJFWSA-N 0 0 342.461 2.156 40 0 EEABRN CC(=O)N(C)Cc1ccccc1NC(=O)N[C@H](C)c1cnn(C)c1 ZINC000095403817 218338889 /nfs/dbraw/zinc/33/88/89/218338889.db2.gz HWPIUDTYRLLZJS-GFCCVEGCSA-N 0 0 329.404 2.281 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1OC ZINC000008475996 210955258 /nfs/dbraw/zinc/95/52/58/210955258.db2.gz YEZAUCZEHCTRBF-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN Cn1cnnc1CN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000095434123 218377034 /nfs/dbraw/zinc/37/70/34/218377034.db2.gz NSSATAOLTRXBCF-UHFFFAOYSA-N 0 0 325.338 2.156 40 0 EEABRN CCn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cccn1C)CC2 ZINC000096068205 218566556 /nfs/dbraw/zinc/56/65/56/218566556.db2.gz ZTOZKKSEAYUYCQ-KRWDZBQOSA-N 0 0 342.443 2.408 40 0 EEABRN Cc1cc(C(=O)N2CCC3(CO[C@@H](COCC4CC4)C3)CC2)on1 ZINC000096106054 218597882 /nfs/dbraw/zinc/59/78/82/218597882.db2.gz WPZCIDFKGOIICE-OAHLLOKOSA-N 0 0 334.416 2.421 40 0 EEABRN O=C(c1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108782 218603380 /nfs/dbraw/zinc/60/33/80/218603380.db2.gz FQKORUJBPAGWBN-UYAOXDASSA-N 0 0 345.439 2.218 40 0 EEABRN Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096108997 218604024 /nfs/dbraw/zinc/60/40/24/218604024.db2.gz SHXBWIBAIBWCOV-BEFAXECRSA-N 0 0 342.395 2.288 40 0 EEABRN C[C@@H]1c2ncc(COCc3ccccn3)n2CCN1c1ncccn1 ZINC000096109898 218605180 /nfs/dbraw/zinc/60/51/80/218605180.db2.gz AGSDHKXKFFWZBD-CQSZACIVSA-N 0 0 336.399 2.366 40 0 EEABRN CCCCS(=O)(=O)N1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255333 218724659 /nfs/dbraw/zinc/72/46/59/218724659.db2.gz HFRRDMPHHLZMQS-UHFFFAOYSA-N 0 0 346.456 2.069 40 0 EEABRN CC(C)CS(=O)(=O)C1CN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000096380097 218746469 /nfs/dbraw/zinc/74/64/69/218746469.db2.gz NIMUDKWNHFJCCK-UHFFFAOYSA-N 0 0 347.839 2.303 40 0 EEABRN O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000096402870 218751050 /nfs/dbraw/zinc/75/10/50/218751050.db2.gz FSBLEEBLSXLTBD-CYBMUJFWSA-N 0 0 340.383 2.114 40 0 EEABRN Cc1ccc(OC(=O)c2cccnc2C)c(S(=O)(=O)N(C)C)c1 ZINC000096404855 218755182 /nfs/dbraw/zinc/75/51/82/218755182.db2.gz SLSILEBBKUMTMV-UHFFFAOYSA-N 0 0 334.397 2.168 40 0 EEABRN Cn1cc(C(=O)OC[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cn1 ZINC000096413658 218770606 /nfs/dbraw/zinc/77/06/06/218770606.db2.gz XEXSQBHQGGFVJL-BLLLJJGKSA-N 0 0 347.802 2.450 40 0 EEABRN CCc1cc(NC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)n(C)n1 ZINC000096421722 218787764 /nfs/dbraw/zinc/78/77/64/218787764.db2.gz TTYZANRDUWVYAO-CQSZACIVSA-N 0 0 348.353 2.252 40 0 EEABRN CCCS(=O)(=O)CC(=O)Nc1ccc(Br)c(F)c1 ZINC000096425639 218794717 /nfs/dbraw/zinc/79/47/17/218794717.db2.gz WCUKTCNHBDUFJS-UHFFFAOYSA-N 0 0 338.198 2.352 40 0 EEABRN CN(Cc1nnc2n1CCC2)C(=O)[C@H]1SCCc2ccccc21 ZINC000096430537 218804295 /nfs/dbraw/zinc/80/42/95/218804295.db2.gz NYQWMJNJBRRMGJ-INIZCTEOSA-N 0 0 328.441 2.213 40 0 EEABRN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3CCC[C@@H]3O)cn2)n1 ZINC000096434058 218811040 /nfs/dbraw/zinc/81/10/40/218811040.db2.gz HSKLSSYZBFCJLA-HIFRSBDPSA-N 0 0 329.404 2.167 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000096445290 218827179 /nfs/dbraw/zinc/82/71/79/218827179.db2.gz FFFAHZZVHBYICX-WCBMZHEXSA-N 0 0 330.215 2.366 40 0 EEABRN CC[C@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000096451345 218834511 /nfs/dbraw/zinc/83/45/11/218834511.db2.gz JURMQEOJPHGVHL-NSHDSACASA-N 0 0 330.475 2.451 40 0 EEABRN Cc1nc(C)c(Cn2nnc3c(cnn3-c3ccccc3)c2=O)s1 ZINC000096466064 218845514 /nfs/dbraw/zinc/84/55/14/218845514.db2.gz RSEQINIOLBKLOW-UHFFFAOYSA-N 0 0 338.396 2.099 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](C)[S@](C)=O)nn1-c1cc(C)cc(C)c1 ZINC000096495196 218872540 /nfs/dbraw/zinc/87/25/40/218872540.db2.gz HBLAELCHRJTNIS-QKFKETGDSA-N 0 0 333.457 2.294 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@H](C(C)C)O2 ZINC000004970829 210343822 /nfs/dbraw/zinc/34/38/22/210343822.db2.gz HBSAZEFOCSPEFF-KBXCAEBGSA-N 0 0 346.427 2.040 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000006946547 257865182 /nfs/dbraw/zinc/86/51/82/257865182.db2.gz XYUHBPGBGQEUBD-NSHDSACASA-N 0 0 332.853 2.411 40 0 EEABRN CCN(CC)C(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000409380453 257871928 /nfs/dbraw/zinc/87/19/28/257871928.db2.gz DSOLDVPFIHLLRF-AWEZNQCLSA-N 0 0 326.462 2.326 40 0 EEABRN O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)N(CCO)CCO ZINC000408734270 257890326 /nfs/dbraw/zinc/89/03/26/257890326.db2.gz MOZXIBZLNMPEPF-KRWDZBQOSA-N 0 0 348.830 2.306 40 0 EEABRN CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408553158 257897356 /nfs/dbraw/zinc/89/73/56/257897356.db2.gz OHTQPYZIVCPMNL-ZDUSSCGKSA-N 0 0 334.441 2.279 40 0 EEABRN CCCNC(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306140405 257924135 /nfs/dbraw/zinc/92/41/35/257924135.db2.gz USSQELOCERNOAP-CQSZACIVSA-N 0 0 343.431 2.293 40 0 EEABRN COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H](C)O ZINC000192564229 533491535 /nfs/dbraw/zinc/49/15/35/533491535.db2.gz ZZFNXSFKMVNXDJ-RKDXNWHRSA-N 0 0 331.210 2.199 40 0 EEABRN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000057363970 132200070 /nfs/dbraw/zinc/20/00/70/132200070.db2.gz ZXKVZWKPQWNGDK-QAPCUYQASA-N 0 0 331.460 2.209 40 0 EEABRN C[C@@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000180749743 287190549 /nfs/dbraw/zinc/19/05/49/287190549.db2.gz UGIGBYNXHPAHDR-SSDOTTSWSA-N 0 0 343.817 2.332 40 0 EEABRN O=C(Cn1nnc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000171643199 227192711 /nfs/dbraw/zinc/19/27/11/227192711.db2.gz MWMNEPDKKNSYPE-LBPRGKRZSA-N 0 0 327.413 2.294 40 0 EEABRN C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@H](O)Cc4ccccc43)ccc2O1 ZINC000278556417 274372301 /nfs/dbraw/zinc/37/23/01/274372301.db2.gz BABCOWLRYFDWEG-IUODEOHRSA-N 0 0 345.420 2.122 40 0 EEABRN COC(=O)[C@@H]1SC(c2ccccc2)=C(C)[C@H]2C1C(=O)C(=O)N2OC ZINC000019691678 277373215 /nfs/dbraw/zinc/37/32/15/277373215.db2.gz NHQMETNLVFSHSR-SWLSCSKDSA-N 0 0 347.392 2.290 40 0 EEABRN COc1cc([C@@H]2Cc3nc(N)nc(C)c3C(=O)C2)cc(OC)c1OC ZINC000015424355 277388075 /nfs/dbraw/zinc/38/80/75/277388075.db2.gz QHYZFKMWVNFYBP-SNVBAGLBSA-N 0 0 343.383 2.306 40 0 EEABRN COc1ccc2nc3c(cc2c1)CN(C[C@@H]1CCCO1)C(=O)CO3 ZINC000012115570 277450580 /nfs/dbraw/zinc/45/05/80/277450580.db2.gz CXCVNFAKTVHJNV-HNNXBMFYSA-N 0 0 328.368 2.143 40 0 EEABRN Cc1cc2c(cc1/C=c1\sc3nc4ccccc4n3c1=O)OCO2 ZINC000107027390 278749714 /nfs/dbraw/zinc/74/97/14/278749714.db2.gz SPGNTLISQFHJLU-PXNMLYILSA-N 0 0 336.372 2.494 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccccc1C ZINC000257329379 279247924 /nfs/dbraw/zinc/24/79/24/279247924.db2.gz XJTDJWWQJLMDMN-AEFFLSMTSA-N 0 0 332.444 2.399 40 0 EEABRN O=C(c1ccccn1)N1NC(C(F)(F)F)=C[C@]1(O)c1cccnc1 ZINC000000033243 280214661 /nfs/dbraw/zinc/21/46/61/280214661.db2.gz KQMAKSDSJDEZKR-AWEZNQCLSA-N 0 0 336.273 2.086 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113965916 280734942 /nfs/dbraw/zinc/73/49/42/280734942.db2.gz CEOXOFJUGVNTRH-LBPRGKRZSA-N 0 0 330.425 2.287 40 0 EEABRN CCc1cc(C(=O)N2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)on1 ZINC000257310576 288517118 /nfs/dbraw/zinc/51/71/18/288517118.db2.gz UFSDUMAJVFFQFP-ZDUSSCGKSA-N 0 0 341.371 2.353 40 0 EEABRN Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccc(C)nc3)CC2)s1 ZINC000299053335 294647993 /nfs/dbraw/zinc/64/79/93/294647993.db2.gz XOFBSUOZMLGQOG-UHFFFAOYSA-N 0 0 343.452 2.287 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C)n3)OCC(=O)N2C)cc1 ZINC000096181485 301776715 /nfs/dbraw/zinc/77/67/15/301776715.db2.gz WKSCKMIPBMNDCN-QZTJIDSGSA-N 0 0 339.395 2.235 40 0 EEABRN Cn1ccc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000096496489 302954943 /nfs/dbraw/zinc/95/49/43/302954943.db2.gz MJUOUUGTUAGNLF-LBPRGKRZSA-N 0 0 329.408 2.107 40 0 EEABRN O=C(CCC(=O)N1CCCCCO1)N1CCN(c2ccccc2)CC1 ZINC000329968937 311714288 /nfs/dbraw/zinc/71/42/88/311714288.db2.gz UDVVJRVBXVLYSZ-UHFFFAOYSA-N 0 0 345.443 2.060 40 0 EEABRN Cc1ccc(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)c(=O)[nH]1 ZINC000330597684 311767562 /nfs/dbraw/zinc/76/75/62/311767562.db2.gz SJIPCIOTUULEGA-UHFFFAOYSA-N 0 0 325.390 2.323 40 0 EEABRN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCNC[C@@H]1c1ccncc1)CO2 ZINC000333266351 312121283 /nfs/dbraw/zinc/12/12/83/312121283.db2.gz JOOGPMRLSLUXSW-ZWKOTPCHSA-N 0 0 337.423 2.348 40 0 EEABRN CCc1cnc(CNC(=O)N2CC[S@@](=O)C(C)(C)CC2)s1 ZINC000333589644 312170313 /nfs/dbraw/zinc/17/03/13/312170313.db2.gz LATSFXICNHKLPW-OAQYLSRUSA-N 0 0 329.491 2.148 40 0 EEABRN CN1CC[C@@H](CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1=O ZINC000425180030 314350071 /nfs/dbraw/zinc/35/00/71/314350071.db2.gz CRFWXFUABPDSLX-CYBMUJFWSA-N 0 0 338.473 2.131 40 0 EEABRN CCNC(=O)NC(=O)[C@@H](C)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000097377397 323321966 /nfs/dbraw/zinc/32/19/66/323321966.db2.gz RJHOKKWVQROLNM-LLVKDONJSA-N 0 0 349.822 2.231 40 0 EEABRN C[C@H](c1cccnc1)N(C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000195561932 323514174 /nfs/dbraw/zinc/51/41/74/323514174.db2.gz PXYGLLDBIFEONS-PBHICJAKSA-N 0 0 348.472 2.005 40 0 EEABRN Cn1cc(CC(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)cn1 ZINC000195576513 323515063 /nfs/dbraw/zinc/51/50/63/323515063.db2.gz HKXHEPLXRCRTEB-UHFFFAOYSA-N 0 0 335.429 2.174 40 0 EEABRN Cc1cc(CNC(=O)NCCOCc2ccc(Cl)cc2)n(C)n1 ZINC000252489256 464964475 /nfs/dbraw/zinc/96/44/75/464964475.db2.gz JNCWHKAWNXEPOP-UHFFFAOYSA-N 0 0 336.823 2.398 40 0 EEABRN CCn1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cn1 ZINC000074033095 462545184 /nfs/dbraw/zinc/54/51/84/462545184.db2.gz SFLJYKCEOQWVRG-UHFFFAOYSA-N 0 0 341.415 2.201 40 0 EEABRN CCCn1nnnc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000000569498 462571046 /nfs/dbraw/zinc/57/10/46/462571046.db2.gz KHHRRLUUCMFXDB-UHFFFAOYSA-N 0 0 340.412 2.363 40 0 EEABRN CCC(=O)Nc1ccc2c(c1)Cc1cc(N(CCO)CCO)ccc1-2 ZINC000001580975 462583842 /nfs/dbraw/zinc/58/38/42/462583842.db2.gz PLPSXSZMGVMYDZ-UHFFFAOYSA-N 0 0 340.423 2.397 40 0 EEABRN COc1ccc(N(C)C(=O)[C@@H](CC(C)C)N2CCCCC2=O)cn1 ZINC000087193259 462594970 /nfs/dbraw/zinc/59/49/70/462594970.db2.gz LYJMZNCTNQFSDJ-OAHLLOKOSA-N 0 0 333.432 2.480 40 0 EEABRN COc1ccc(C[C@@]2(C(=O)[O-])[NH2+]CCc3cc(O)c(OC)cc32)cc1 ZINC000003847489 462625039 /nfs/dbraw/zinc/62/50/39/462625039.db2.gz RRRYQGHGFZBULN-LJQANCHMSA-N 0 0 343.379 2.078 40 0 EEABRN CCOC(=O)[C@](O)(C(=O)c1ccccc1)c1cc(O)cc(OC)c1 ZINC000003845388 462625393 /nfs/dbraw/zinc/62/53/93/462625393.db2.gz PODITFRWJUIUAU-GOSISDBHSA-N 0 0 330.336 2.034 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000003956100 462626990 /nfs/dbraw/zinc/62/69/90/462626990.db2.gz SGULPJOIDHXXTH-UHFFFAOYSA-N 0 0 337.427 2.394 40 0 EEABRN Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1cccc(C)c1 ZINC000004186465 462628888 /nfs/dbraw/zinc/62/88/88/462628888.db2.gz SITPLOHNIGBDTB-HNNXBMFYSA-N 0 0 346.456 2.271 40 0 EEABRN NC(=O)c1cccc(NC(=O)c2nnc3ccc(Cl)cc3n2)c1 ZINC000046088913 462645704 /nfs/dbraw/zinc/64/57/04/462645704.db2.gz VIZULEATESXKBO-UHFFFAOYSA-N 0 0 327.731 2.029 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1C ZINC000074966128 462659183 /nfs/dbraw/zinc/65/91/83/462659183.db2.gz IRTFXGGIFMXYDS-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000075030959 462667033 /nfs/dbraw/zinc/66/70/33/462667033.db2.gz CTPAJRVOJCWKLJ-UHFFFAOYSA-N 0 0 331.803 2.195 40 0 EEABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 ZINC000006059584 462676145 /nfs/dbraw/zinc/67/61/45/462676145.db2.gz OJYJFLMBGVOVLU-UHFFFAOYSA-N 0 0 331.299 2.408 40 0 EEABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O ZINC000006327913 462683414 /nfs/dbraw/zinc/68/34/14/462683414.db2.gz ZWLTURJXRICUNY-WUXMJOGZSA-N 0 0 337.353 2.086 40 0 EEABRN COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ncn1 ZINC000075166448 462690981 /nfs/dbraw/zinc/69/09/81/462690981.db2.gz NKUJNWPANXTMEB-CYBMUJFWSA-N 0 0 340.383 2.094 40 0 EEABRN O=S(=O)(c1ccc(C2N=NC(=S)O2)cc1)N1CCCCC1 ZINC000006557427 462691296 /nfs/dbraw/zinc/69/12/96/462691296.db2.gz VLORFMFXTLCQOY-UHFFFAOYSA-N 0 0 325.415 2.200 40 0 EEABRN CCCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000006597095 462691564 /nfs/dbraw/zinc/69/15/64/462691564.db2.gz IZCQAMDDPXHJPI-UHFFFAOYSA-N 0 0 326.462 2.321 40 0 EEABRN CCCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000006596864 462691797 /nfs/dbraw/zinc/69/17/97/462691797.db2.gz JSAQVRNPRPWTJX-UHFFFAOYSA-N 0 0 326.462 2.376 40 0 EEABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1 ZINC000006680356 462696778 /nfs/dbraw/zinc/69/67/78/462696778.db2.gz UFUPCYMJJSJNMW-UHFFFAOYSA-N 0 0 340.426 2.346 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 ZINC000007383074 462732435 /nfs/dbraw/zinc/73/24/35/462732435.db2.gz BWYJUKBJGVWFTE-UHFFFAOYSA-N 0 0 345.424 2.187 40 0 EEABRN CC(=O)Nc1ccc(-c2nc(SCc3nnc(C)o3)n[nH]2)cc1 ZINC000007604724 462741023 /nfs/dbraw/zinc/74/10/23/462741023.db2.gz WECWADZSGNHXHZ-UHFFFAOYSA-N 0 0 330.373 2.414 40 0 EEABRN Cn1c2ccccc2s/c1=N\C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000007593343 462741359 /nfs/dbraw/zinc/74/13/59/462741359.db2.gz WXBWNTNTOGPLQU-UWYCIPFASA-N 0 0 347.465 2.121 40 0 EEABRN COc1cccc(N2C[C@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)c1 ZINC000007928725 462758123 /nfs/dbraw/zinc/75/81/23/462758123.db2.gz XOVKDRNSURUCEN-CQSZACIVSA-N 0 0 339.347 2.466 40 0 EEABRN CC[C@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000008040664 462764108 /nfs/dbraw/zinc/76/41/08/462764108.db2.gz SBAMOLAVHBTICJ-AWEZNQCLSA-N 0 0 326.462 2.456 40 0 EEABRN CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008086019 462765841 /nfs/dbraw/zinc/76/58/41/462765841.db2.gz LAEFHCDHXDYJIG-UHFFFAOYSA-N 0 0 348.424 2.175 40 0 EEABRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC(N)=O)o1 ZINC000008336568 462780625 /nfs/dbraw/zinc/78/06/25/462780625.db2.gz VSMMAQNREMRKGH-JXMROGBWSA-N 0 0 340.295 2.265 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC ZINC000008476002 462784834 /nfs/dbraw/zinc/78/48/34/462784834.db2.gz APKHKTOEQQXNKV-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN Cn1c2[nH]c(Nc3cc(Cl)ccc3Cl)nc2c(=O)n(C)c1=O ZINC000008581201 462789925 /nfs/dbraw/zinc/78/99/25/462789925.db2.gz PKCUAJMYEQJZDY-UHFFFAOYSA-N 0 0 340.170 2.011 40 0 EEABRN Cc1n[nH]c(=O)c2c1[C@H](c1ccc(C(C)(C)C)cc1)n1nnnc1N2 ZINC000010298512 462816314 /nfs/dbraw/zinc/81/63/14/462816314.db2.gz XDNWBHYFRZDRTM-AWEZNQCLSA-N 0 0 337.387 2.469 40 0 EEABRN O=C(Cc1ccccc1F)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000012228377 462848978 /nfs/dbraw/zinc/84/89/78/462848978.db2.gz CZRKMAYKXUZHLD-UHFFFAOYSA-N 0 0 339.374 2.441 40 0 EEABRN NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000012732467 462864897 /nfs/dbraw/zinc/86/48/97/462864897.db2.gz VLFQKTYXKMNOLW-UHFFFAOYSA-N 0 0 326.352 2.128 40 0 EEABRN O=C(NC(=S)NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000014257722 462922932 /nfs/dbraw/zinc/92/29/32/462922932.db2.gz BFZYDEWUSDAPAX-UHFFFAOYSA-N 0 0 328.393 2.262 40 0 EEABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCOCC1 ZINC000014400551 462926742 /nfs/dbraw/zinc/92/67/42/462926742.db2.gz FFKHSAHYUHAEEJ-OAHLLOKOSA-N 0 0 334.460 2.200 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@H]2c1ccccc1 ZINC000014607541 462930462 /nfs/dbraw/zinc/93/04/62/462930462.db2.gz XWGPEBOPAJJHEL-QGZVFWFLSA-N 0 0 346.394 2.065 40 0 EEABRN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076988929 462932451 /nfs/dbraw/zinc/93/24/51/462932451.db2.gz YWSCAOYVKHWNFC-CJNGLKHVSA-N 0 0 338.473 2.082 40 0 EEABRN Ic1ccnc(I)c1 ZINC000014982701 462936472 /nfs/dbraw/zinc/93/64/72/462936472.db2.gz JOTXEJXZFOIMLS-UHFFFAOYSA-N 0 0 330.894 2.291 40 0 EEABRN O=S(=O)(NC[C@](O)(c1cccs1)C1CC1)c1cccs1 ZINC000077173612 462947849 /nfs/dbraw/zinc/94/78/49/462947849.db2.gz STXUHMCAGDGPQS-CYBMUJFWSA-N 0 0 329.468 2.386 40 0 EEABRN COCCOCC1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000049028794 462950315 /nfs/dbraw/zinc/95/03/15/462950315.db2.gz ITCZQQFEZRFPAW-UHFFFAOYSA-N 0 0 329.400 2.145 40 0 EEABRN Cn1ccnc1S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000049101290 462954797 /nfs/dbraw/zinc/95/47/97/462954797.db2.gz CLRCSWMHQQKBNF-UHFFFAOYSA-N 0 0 333.182 2.296 40 0 EEABRN CCc1c2nnc(SCC(=O)NC3CCCCC3)n2c(N)nc1C ZINC000015936076 462966235 /nfs/dbraw/zinc/96/62/35/462966235.db2.gz HTZRXYJVXKMJJQ-UHFFFAOYSA-N 0 0 348.476 2.118 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000016637377 462984375 /nfs/dbraw/zinc/98/43/75/462984375.db2.gz RWIRDZMYGPVPTO-CYBMUJFWSA-N 0 0 342.461 2.011 40 0 EEABRN CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCOC)C1 ZINC000019702096 463020512 /nfs/dbraw/zinc/02/05/12/463020512.db2.gz WYWOVPYEPBIDDW-NSHDSACASA-N 0 0 347.440 2.008 40 0 EEABRN Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1cccc(Cl)c1)CC3=O ZINC000019819889 463022887 /nfs/dbraw/zinc/02/28/87/463022887.db2.gz MHMIXRTZCIUYTF-SECBINFHSA-N 0 0 340.770 2.466 40 0 EEABRN CC(C)CCN1Cn2c3ccccc3nc2N(N2CCN(C)CC2)C1 ZINC000020637220 463029465 /nfs/dbraw/zinc/02/94/65/463029465.db2.gz VDCAGRYRKSDIRR-UHFFFAOYSA-N 0 0 342.491 2.282 40 0 EEABRN Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccccn43)n2)cn1 ZINC000096038022 463142531 /nfs/dbraw/zinc/14/25/31/463142531.db2.gz IAGOQFPYZLQTKD-UHFFFAOYSA-N 0 0 332.367 2.153 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096045186 463149486 /nfs/dbraw/zinc/14/94/86/463149486.db2.gz XCUMUXBDHYHTAI-CYBMUJFWSA-N 0 0 343.383 2.018 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096048369 463152051 /nfs/dbraw/zinc/15/20/51/463152051.db2.gz HVKVKPNGPNFNIY-KBXCAEBGSA-N 0 0 342.399 2.254 40 0 EEABRN Cc1cnc(N2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)nc1 ZINC000096158159 463189139 /nfs/dbraw/zinc/18/91/39/463189139.db2.gz HPEYCPFOEOKROA-LJQANCHMSA-N 0 0 337.427 2.313 40 0 EEABRN c1csc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)n1 ZINC000096158836 463191250 /nfs/dbraw/zinc/19/12/50/463191250.db2.gz ZXXHDRGMZWWPRD-UHFFFAOYSA-N 0 0 344.484 2.405 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)OCC(=O)N2C)cc1 ZINC000096181505 463194309 /nfs/dbraw/zinc/19/43/09/463194309.db2.gz MGBSNYYRYVXTTQ-WTLGNFPFSA-N 0 0 344.455 2.398 40 0 EEABRN O=C([O-])c1cc2c(nc1-c1ccoc1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096189586 463202071 /nfs/dbraw/zinc/20/20/71/463202071.db2.gz OGRKIBAVKQOUKV-CYBMUJFWSA-N 0 0 342.395 2.477 40 0 EEABRN O=C1[C@@H]2CCN(Cc3ccccn3)C[C@@H]2OCCN1c1ccsc1 ZINC000096208846 463212250 /nfs/dbraw/zinc/21/22/50/463212250.db2.gz OOPNCTCNUCLXSK-SJORKVTESA-N 0 0 343.452 2.397 40 0 EEABRN O=C(c1cocn1)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096220439 463217348 /nfs/dbraw/zinc/21/73/48/463217348.db2.gz LFEVQRVLZBHSJG-YJBOKZPZSA-N 0 0 343.383 2.050 40 0 EEABRN CC(C)NC(=O)C[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096221941 463219188 /nfs/dbraw/zinc/21/91/88/463219188.db2.gz BRJQUSXHQRFTAI-AWEZNQCLSA-N 0 0 337.489 2.429 40 0 EEABRN Fc1cccc(N2CCC[C@@]3(C2)CN(c2cnccn2)CCO3)c1 ZINC000096226270 463221313 /nfs/dbraw/zinc/22/13/13/463221313.db2.gz RMVYIKUDELBINB-GOSISDBHSA-N 0 0 328.391 2.492 40 0 EEABRN CC(C)NC(=O)N1CC[C@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000096241239 463225988 /nfs/dbraw/zinc/22/59/88/463225988.db2.gz PYNUEJNMZOBHFG-WMLDXEAASA-N 0 0 337.395 2.274 40 0 EEABRN O=C(c1cccnc1)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260029 463230420 /nfs/dbraw/zinc/23/04/20/463230420.db2.gz OUHURPFQKOQHDM-UHFFFAOYSA-N 0 0 336.351 2.242 40 0 EEABRN Cn1cc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)cn1 ZINC000096403929 463238593 /nfs/dbraw/zinc/23/85/93/463238593.db2.gz YOQJFHYVQZYWHE-GFCCVEGCSA-N 0 0 328.401 2.032 40 0 EEABRN O=C(c1ncoc1[C@@H]1CCCO1)N1CCCN(c2nccs2)CC1 ZINC000096406349 463240373 /nfs/dbraw/zinc/24/03/73/463240373.db2.gz OIFIIDHMVKVRIC-LBPRGKRZSA-N 0 0 348.428 2.335 40 0 EEABRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c1 ZINC000096410175 463242708 /nfs/dbraw/zinc/24/27/08/463242708.db2.gz LGNFMZIXLMIXLU-QGZVFWFLSA-N 0 0 325.412 2.429 40 0 EEABRN CSC[C@@H](C)NC(=O)C(=O)Nc1ccccc1Br ZINC000096413543 463246100 /nfs/dbraw/zinc/24/61/00/463246100.db2.gz ISJHMRYQFTZCMB-MRVPVSSYSA-N 0 0 331.235 2.255 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NC[C@H](C)CN1CCOCC1 ZINC000096416005 463247836 /nfs/dbraw/zinc/24/78/36/463247836.db2.gz MPLFEQMIGVREOY-HNNXBMFYSA-N 0 0 334.464 2.233 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC000096419354 463250649 /nfs/dbraw/zinc/25/06/49/463250649.db2.gz URCXHSFFIJVNJB-ZIAGYGMSSA-N 0 0 332.425 2.320 40 0 EEABRN CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)o1 ZINC000096418461 463250669 /nfs/dbraw/zinc/25/06/69/463250669.db2.gz UFCAUVQHPJLCRM-UHFFFAOYSA-N 0 0 340.376 2.484 40 0 EEABRN Cc1ccc(-n2cc(S(=O)(=O)N3CCO[C@H]4CCC[C@@H]43)cn2)cc1 ZINC000096421223 463252595 /nfs/dbraw/zinc/25/25/95/463252595.db2.gz IYCNTJDSKRPCHA-IRXDYDNUSA-N 0 0 347.440 2.123 40 0 EEABRN CCn1cnnc1CNC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000096431341 463259909 /nfs/dbraw/zinc/25/99/09/463259909.db2.gz DLDLFPIUIWREEV-NSHDSACASA-N 0 0 337.811 2.218 40 0 EEABRN CCc1nsc(N2CCN(C(=O)c3sccc3OC)CC2)n1 ZINC000096432240 463261389 /nfs/dbraw/zinc/26/13/89/463261389.db2.gz FUTIYLQEJAMOBT-UHFFFAOYSA-N 0 0 338.458 2.133 40 0 EEABRN CCn1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cn1 ZINC000096432732 463261512 /nfs/dbraw/zinc/26/15/12/463261512.db2.gz HNWLFLZRHZPWQE-NSHDSACASA-N 0 0 341.371 2.453 40 0 EEABRN Cn1ccnc1N1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000096436942 463264727 /nfs/dbraw/zinc/26/47/27/463264727.db2.gz YYVBGDXYDIVVGT-UHFFFAOYSA-N 0 0 343.412 2.099 40 0 EEABRN Cc1cc(-n2cncn2)ccc1C(=O)OCc1ccc2n[nH]nc2c1 ZINC000096441986 463267521 /nfs/dbraw/zinc/26/75/21/463267521.db2.gz RFTOBFLCVSUGPZ-UHFFFAOYSA-N 0 0 334.339 2.204 40 0 EEABRN NC(=O)N1CCC[C@@H]1COC(=O)c1ccc(F)c(Br)c1 ZINC000096442152 463268598 /nfs/dbraw/zinc/26/85/98/463268598.db2.gz ZKXTXVPJOMWVLY-SECBINFHSA-N 0 0 345.168 2.288 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CCc3ccccn3)CC2)nc(C)n1 ZINC000096454880 463275563 /nfs/dbraw/zinc/27/55/63/463275563.db2.gz YSGAITRZNBFPPN-UHFFFAOYSA-N 0 0 339.443 2.206 40 0 EEABRN NC(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000096460477 463276579 /nfs/dbraw/zinc/27/65/79/463276579.db2.gz XPGJVTHDCOWNEB-GOSISDBHSA-N 0 0 338.407 2.259 40 0 EEABRN CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 ZINC000096460880 463276594 /nfs/dbraw/zinc/27/65/94/463276594.db2.gz UKASUSZPQHJZOE-OAHLLOKOSA-N 0 0 348.424 2.136 40 0 EEABRN CCc1nsc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000096469739 463278289 /nfs/dbraw/zinc/27/82/89/463278289.db2.gz CELNVGXUZIFKKU-LSDHHAIUSA-N 0 0 330.457 2.190 40 0 EEABRN CC[C@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)c1noc(C)n1 ZINC000096472773 463278853 /nfs/dbraw/zinc/27/88/53/463278853.db2.gz QTPQWWSFMGCJGR-ZDUSSCGKSA-N 0 0 338.433 2.182 40 0 EEABRN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000096471653 463279189 /nfs/dbraw/zinc/27/91/89/463279189.db2.gz XBLDLRVEKQTIJN-UHFFFAOYSA-N 0 0 330.768 2.287 40 0 EEABRN CS(=O)(=O)C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000096483309 463282515 /nfs/dbraw/zinc/28/25/15/463282515.db2.gz RDJNQHZDMDZJPO-LLVKDONJSA-N 0 0 327.789 2.449 40 0 EEABRN CCc1ncc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000096483305 463282625 /nfs/dbraw/zinc/28/26/25/463282625.db2.gz VKPFZEZJMKHVJV-GFCCVEGCSA-N 0 0 338.454 2.221 40 0 EEABRN O=C(c1cc(Cl)ccc1O)N1CCC(c2ccnn2CCO)CC1 ZINC000096492424 463288156 /nfs/dbraw/zinc/28/81/56/463288156.db2.gz AOVUGPJKOIGFJI-UHFFFAOYSA-N 0 0 349.818 2.254 40 0 EEABRN CC[C@@H](NCc1noc2c1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000096492685 463288189 /nfs/dbraw/zinc/28/81/89/463288189.db2.gz FSZUDPRYHAOHJJ-OAHLLOKOSA-N 0 0 349.456 2.442 40 0 EEABRN C[C@]1(n2cc(CNc3cc(F)ccc3F)cn2)CCS(=O)(=O)C1 ZINC000096494206 463288267 /nfs/dbraw/zinc/28/82/67/463288267.db2.gz OHMFUIGXYCWSHE-HNNXBMFYSA-N 0 0 341.383 2.307 40 0 EEABRN O=C(CN1CCC(C(F)(F)F)CC1)NCc1cccc2c1OCO2 ZINC000096495802 463288979 /nfs/dbraw/zinc/28/89/79/463288979.db2.gz GUWGSTDYEBAHRI-UHFFFAOYSA-N 0 0 344.333 2.306 40 0 EEABRN O=C(CNC(=O)N1CC=C(c2ccccc2F)CC1)N1CCCC1 ZINC000097094795 463321501 /nfs/dbraw/zinc/32/15/01/463321501.db2.gz XQBAAAYDLBDZKZ-UHFFFAOYSA-N 0 0 331.391 2.247 40 0 EEABRN COC(=O)C1(C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2)CC1 ZINC000097380067 463358320 /nfs/dbraw/zinc/35/83/20/463358320.db2.gz MORYKBYSWCUPAG-CYBMUJFWSA-N 0 0 334.391 2.172 40 0 EEABRN O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(-n2cnnn2)ccc1Cl ZINC000032101565 463365138 /nfs/dbraw/zinc/36/51/38/463365138.db2.gz XZUNGFGSWHLSPB-WOPDTQHZSA-N 0 0 329.791 2.258 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)s1 ZINC000070637062 463377319 /nfs/dbraw/zinc/37/73/19/463377319.db2.gz LOAZQZBDUFJHSK-UHFFFAOYSA-N 0 0 325.415 2.105 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032951861 463404337 /nfs/dbraw/zinc/40/43/37/463404337.db2.gz RAXWLBKTVDVTFV-CABCVRRESA-N 0 0 338.473 2.392 40 0 EEABRN CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1SCC(=O)N1C ZINC000071195295 463411148 /nfs/dbraw/zinc/41/11/48/463411148.db2.gz HXHKGVBMBYPVAR-OAHLLOKOSA-N 0 0 331.397 2.253 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCSCC3)CCC(=O)N2C)cc1 ZINC000072239430 463487087 /nfs/dbraw/zinc/48/70/87/463487087.db2.gz LHOARGIZSCGVNW-DOTOQJQBSA-N 0 0 332.469 2.480 40 0 EEABRN Oc1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)c(O)c1 ZINC000072341902 463510233 /nfs/dbraw/zinc/51/02/33/463510233.db2.gz IFSHFTOGIPDXIP-LBPRGKRZSA-N 0 0 326.356 2.398 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC000107194115 463561852 /nfs/dbraw/zinc/56/18/52/463561852.db2.gz KWEVLEHEAYRDCM-FQEVSTJZSA-N 0 0 335.407 2.280 40 0 EEABRN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(Cc3cccnc3)C[C@@H]2O1 ZINC000107714823 463579887 /nfs/dbraw/zinc/57/98/87/463579887.db2.gz SIGOTBQZSFEKOW-SZMVWBNQSA-N 0 0 338.411 2.095 40 0 EEABRN CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000107763531 463582195 /nfs/dbraw/zinc/58/21/95/463582195.db2.gz HPNSIESFWLRVQR-UHFFFAOYSA-N 0 0 348.424 2.311 40 0 EEABRN Cc1nc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)cs1 ZINC000108524882 463609894 /nfs/dbraw/zinc/60/98/94/463609894.db2.gz JZPDWYGWZKTUOX-UHFFFAOYSA-N 0 0 329.429 2.348 40 0 EEABRN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CC[C@H](O)C1 ZINC000085378675 463646473 /nfs/dbraw/zinc/64/64/73/463646473.db2.gz DWQQFELVANEAOZ-AWEZNQCLSA-N 0 0 345.399 2.338 40 0 EEABRN Cc1sc(-n2cccc2)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C ZINC000044873841 463697858 /nfs/dbraw/zinc/69/78/58/463697858.db2.gz ZNPUYOMUUYPQLS-LBPRGKRZSA-N 0 0 338.454 2.073 40 0 EEABRN CO[C@H]1CN(C(=O)CCCn2nc(C)cc2C)CC[C@@]12CCCO2 ZINC000257285974 463762980 /nfs/dbraw/zinc/76/29/80/463762980.db2.gz PJPDKZIXEMDAJR-WMZOPIPTSA-N 0 0 335.448 2.077 40 0 EEABRN COCC(=O)N1CCC(Cc2nccnc2-c2cncs2)CC1 ZINC000257296154 463767261 /nfs/dbraw/zinc/76/72/61/463767261.db2.gz RBMACHMILDUAHW-UHFFFAOYSA-N 0 0 332.429 2.028 40 0 EEABRN CN(C)Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000257297052 463767270 /nfs/dbraw/zinc/76/72/70/463767270.db2.gz RFOWWMIHCHOXTC-NSHDSACASA-N 0 0 334.370 2.379 40 0 EEABRN Cc1noc(C)c1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257319258 463776235 /nfs/dbraw/zinc/77/62/35/463776235.db2.gz VROBLJJTHMQBHY-CYBMUJFWSA-N 0 0 335.429 2.492 40 0 EEABRN Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC000257332012 463781008 /nfs/dbraw/zinc/78/10/08/463781008.db2.gz XVIVUPIKLZDVOB-CQSZACIVSA-N 0 0 326.400 2.232 40 0 EEABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 ZINC000260894922 463791588 /nfs/dbraw/zinc/79/15/88/463791588.db2.gz GJKLBTYCFMPCSO-OLZOCXBDSA-N 0 0 342.461 2.010 40 0 EEABRN Cn1nccc1CNc1c(Br)cccc1S(C)(=O)=O ZINC000283447691 463887900 /nfs/dbraw/zinc/88/79/00/463887900.db2.gz DKHOJLMATXXDHX-UHFFFAOYSA-N 0 0 344.234 2.198 40 0 EEABRN COCc1cccc(CC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000186295461 463970423 /nfs/dbraw/zinc/97/04/23/463970423.db2.gz KEHXNPLDZHBUTK-INIZCTEOSA-N 0 0 342.443 2.222 40 0 EEABRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1nccn1C ZINC000186297096 463971266 /nfs/dbraw/zinc/97/12/66/463971266.db2.gz RGKOPRMUIJAGQC-CQSZACIVSA-N 0 0 348.472 2.153 40 0 EEABRN COc1cccc(C)c1NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000195037149 463980679 /nfs/dbraw/zinc/98/06/79/463980679.db2.gz HSZCFHFNMNAFPV-UHFFFAOYSA-N 0 0 331.416 2.480 40 0 EEABRN CC1(C)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1OCc1ccccc1 ZINC000186541854 464020273 /nfs/dbraw/zinc/02/02/73/464020273.db2.gz WUTJZUVNRPFTGU-CVEARBPZSA-N 0 0 341.411 2.227 40 0 EEABRN CN(C(=O)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC000263150004 464058416 /nfs/dbraw/zinc/05/84/16/464058416.db2.gz NOUICKXQPONWKQ-APWZRJJASA-N 0 0 330.428 2.319 40 0 EEABRN C[C@]1(NC(=O)CC2(CS(C)(=O)=O)CC2)CCc2ccccc2C1 ZINC000195533028 464073347 /nfs/dbraw/zinc/07/33/47/464073347.db2.gz LDEUSYGROBWAJD-KRWDZBQOSA-N 0 0 335.469 2.265 40 0 EEABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO ZINC000223585051 464143466 /nfs/dbraw/zinc/14/34/66/464143466.db2.gz POUAUQXDTDGNSR-CVEARBPZSA-N 0 0 330.457 2.429 40 0 EEABRN CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 ZINC000224149851 464148645 /nfs/dbraw/zinc/14/86/45/464148645.db2.gz WNQSFAZFKWVWEW-UHFFFAOYSA-N 0 0 336.388 2.401 40 0 EEABRN CN1CCN(c2ncc(NC(=O)Cc3ccc(Cl)cc3)cn2)CC1 ZINC000224254021 464149364 /nfs/dbraw/zinc/14/93/64/464149364.db2.gz GCGKSPRCUQCTSK-UHFFFAOYSA-N 0 0 345.834 2.063 40 0 EEABRN COC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000224873089 464152230 /nfs/dbraw/zinc/15/22/30/464152230.db2.gz DPZJKHDUFGREBP-GFCCVEGCSA-N 0 0 348.399 2.443 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000225182730 464154900 /nfs/dbraw/zinc/15/49/00/464154900.db2.gz DOVMAYXTFBPDMZ-OAHLLOKOSA-N 0 0 326.396 2.229 40 0 EEABRN CC(=O)NC1CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)C1 ZINC000225478476 464163309 /nfs/dbraw/zinc/16/33/09/464163309.db2.gz ZJCWMFAFSQAXLK-CQSZACIVSA-N 0 0 343.349 2.080 40 0 EEABRN Nc1ncnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480547 464164042 /nfs/dbraw/zinc/16/40/42/464164042.db2.gz YLOFFABJZMIYHG-GFCCVEGCSA-N 0 0 345.834 2.359 40 0 EEABRN CNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2F)CC1 ZINC000225489018 464164673 /nfs/dbraw/zinc/16/46/73/464164673.db2.gz UKMPBOKPNAZLRR-UHFFFAOYSA-N 0 0 328.391 2.094 40 0 EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000225503379 464166870 /nfs/dbraw/zinc/16/68/70/464166870.db2.gz MJAIMBHPDZVSRW-OAHLLOKOSA-N 0 0 326.400 2.226 40 0 EEABRN Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1cccnc1N1CCCC1)CC2 ZINC000225520039 464167966 /nfs/dbraw/zinc/16/79/66/464167966.db2.gz WAUMGUUQUVHMKB-AWEZNQCLSA-N 0 0 339.443 2.135 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 ZINC000225553609 464171137 /nfs/dbraw/zinc/17/11/37/464171137.db2.gz PQTUZIOAWWWLDN-BLLLJJGKSA-N 0 0 342.399 2.030 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000225623834 464176376 /nfs/dbraw/zinc/17/63/76/464176376.db2.gz XFVIAEZOHZXBBR-MNOVXSKESA-N 0 0 325.400 2.160 40 0 EEABRN CCOc1cccc(S(=O)(=O)N2CCC[C@@H](c3nccn3C)C2)c1 ZINC000225712154 464181501 /nfs/dbraw/zinc/18/15/01/464181501.db2.gz JCVUESGSGUWTGN-CQSZACIVSA-N 0 0 349.456 2.387 40 0 EEABRN C[C@H](CN1CCCC1=O)NC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000188085864 464197227 /nfs/dbraw/zinc/19/72/27/464197227.db2.gz FRQMODBUXRENAK-CQSZACIVSA-N 0 0 337.464 2.131 40 0 EEABRN C[C@H](CNS(=O)(=O)[C@H]1CCO[C@H]1C)c1nc2ccccc2s1 ZINC000230480421 464204686 /nfs/dbraw/zinc/20/46/86/464204686.db2.gz VOLCGUGKXOIBJE-SUNKGSAMSA-N 0 0 340.470 2.497 40 0 EEABRN COc1cccc([C@H]2[C@@H](NS(=O)(=O)C3CC3)CCN2C2CC2)c1 ZINC000179906118 464206929 /nfs/dbraw/zinc/20/69/29/464206929.db2.gz WKCHHSJXAMGUDD-IRXDYDNUSA-N 0 0 336.457 2.055 40 0 EEABRN Cc1cc(C(=O)NC[C@]2(O)CCOC2)cc(Cl)c1Br ZINC000239539270 464442824 /nfs/dbraw/zinc/44/28/24/464442824.db2.gz AWAIOOKGAMOTLX-CYBMUJFWSA-N 0 0 348.624 2.292 40 0 EEABRN Cc1nc(C)c(C)c(N2CCC(C(=O)Nc3nncs3)CC2)n1 ZINC000240465825 464447135 /nfs/dbraw/zinc/44/71/35/464447135.db2.gz GANTXOSJXCTLCS-UHFFFAOYSA-N 0 0 332.433 2.108 40 0 EEABRN Cc1n[nH]cc1[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000181178204 464454824 /nfs/dbraw/zinc/45/48/24/464454824.db2.gz WSBHIUZXHUSTLM-CYBMUJFWSA-N 0 0 343.431 2.162 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCc2ncc(C)s2)n1 ZINC000190291330 464618981 /nfs/dbraw/zinc/61/89/81/464618981.db2.gz RPIXGZPZKBPKCQ-NSHDSACASA-N 0 0 338.458 2.500 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 ZINC000247857287 464710727 /nfs/dbraw/zinc/71/07/27/464710727.db2.gz KZBPVBJQAPWHMD-MRXNPFEDSA-N 0 0 338.411 2.210 40 0 EEABRN Cc1ccc(CN2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)s1 ZINC000248033589 464725490 /nfs/dbraw/zinc/72/54/90/464725490.db2.gz UHQGHPFJRYOZTI-MRXNPFEDSA-N 0 0 347.484 2.347 40 0 EEABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000248149958 464733896 /nfs/dbraw/zinc/73/38/96/464733896.db2.gz SZKSTRIAMKWPEK-AWEZNQCLSA-N 0 0 329.425 2.199 40 0 EEABRN CO[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000282523620 464850504 /nfs/dbraw/zinc/85/05/04/464850504.db2.gz LYWBVJHJFFXPEB-TZMCWYRMSA-N 0 0 325.430 2.200 40 0 EEABRN CCn1ncnc1CN(C)[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000252518187 464979177 /nfs/dbraw/zinc/97/91/77/464979177.db2.gz AGOSAFMBJCBXCR-WMZOPIPTSA-N 0 0 343.475 2.019 40 0 EEABRN O=C(N[C@@H]1CCN([C@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000252537145 464980904 /nfs/dbraw/zinc/98/09/04/464980904.db2.gz KLBOFHCZJPKSEK-MJGOQNOKSA-N 0 0 349.434 2.444 40 0 EEABRN O=C(NCc1cc(Cl)ccc1N1CCOCC1)C1CCOCC1 ZINC000253395218 464998742 /nfs/dbraw/zinc/99/87/42/464998742.db2.gz HFJCJEDNLMPDTJ-UHFFFAOYSA-N 0 0 338.835 2.219 40 0 EEABRN Fc1cnc(N2CCN(c3cc(-c4ccccc4F)[nH]n3)CC2)nc1 ZINC000253428652 465012696 /nfs/dbraw/zinc/01/26/96/465012696.db2.gz KISVAWTUJFFROU-UHFFFAOYSA-N 0 0 342.353 2.472 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](Oc1cccnc1)CCO2 ZINC000253479509 465016055 /nfs/dbraw/zinc/01/60/55/465016055.db2.gz QUAVJJHXBGBBRO-AWEZNQCLSA-N 0 0 328.368 2.436 40 0 EEABRN O=S(=O)(C1CC1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000253473764 465016320 /nfs/dbraw/zinc/01/63/20/465016320.db2.gz YIADLIXTYUCEKX-VIFPVBQESA-N 0 0 325.415 2.080 40 0 EEABRN CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330790452 465804723 /nfs/dbraw/zinc/80/47/23/465804723.db2.gz SQJUYOPAYPRKAV-DGCLKSJQSA-N 0 0 344.864 2.265 40 0 EEABRN C[C@H]1CC(Nc2ncnc3ccc(S(C)(=O)=O)cc32)C[C@H](C)O1 ZINC000302859312 466199751 /nfs/dbraw/zinc/19/97/51/466199751.db2.gz UFVZHMZRAPRGJH-QWRGUYRKSA-N 0 0 335.429 2.401 40 0 EEABRN O=C(NCC1CC1)c1nc2c(s1)C[C@H](NC(=O)C1CCCC1)CC2 ZINC000306126954 466489868 /nfs/dbraw/zinc/48/98/68/466489868.db2.gz FJZLCPGJFWXRNK-CYBMUJFWSA-N 0 0 347.484 2.447 40 0 EEABRN O=C(Cc1ccccc1)N1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 ZINC000306144170 466493971 /nfs/dbraw/zinc/49/39/71/466493971.db2.gz YXZHILNWYRWBCL-KZNAEPCWSA-N 0 0 337.423 2.210 40 0 EEABRN COCCn1ccnc1[C@H]1CN(C(=O)C2CC2)Cc2ccccc21 ZINC000306143600 466494226 /nfs/dbraw/zinc/49/42/26/466494226.db2.gz YGQXYNXFEMCEMD-KRWDZBQOSA-N 0 0 325.412 2.414 40 0 EEABRN CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(F)cc(Br)c1 ZINC000390833752 467413910 /nfs/dbraw/zinc/41/39/10/467413910.db2.gz MMEBKIHSPGDHDI-NEPJUHHUSA-N 0 0 343.196 2.434 40 0 EEABRN COc1cccc(CCC(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c1F ZINC000390833147 467414396 /nfs/dbraw/zinc/41/43/96/467414396.db2.gz CUMDCDLLSKTLHY-RYUDHWBXSA-N 0 0 327.421 2.135 40 0 EEABRN Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)n(C)o3)cc2)cs1 ZINC000390834558 467414857 /nfs/dbraw/zinc/41/48/57/467414857.db2.gz CZKMKIBJCGEFGN-UHFFFAOYSA-N 0 0 343.408 2.383 40 0 EEABRN O=C(CC1CC1)N1C[C@]2(CCN(c3cccnc3)C2=O)CC(F)(F)C1 ZINC000585093071 468962663 /nfs/dbraw/zinc/96/26/63/468962663.db2.gz YBPVRHJFGRWBHY-KRWDZBQOSA-N 0 0 349.381 2.472 40 0 EEABRN COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094569 468963214 /nfs/dbraw/zinc/96/32/14/468963214.db2.gz BWRYHHNFPKYVDS-HNNXBMFYSA-N 0 0 336.395 2.182 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]12 ZINC000585109248 468974107 /nfs/dbraw/zinc/97/41/07/468974107.db2.gz FFWWGSHTYNWXQS-QLFBSQMISA-N 0 0 334.441 2.036 40 0 EEABRN O=C([C@H]1CCS(=O)(=O)C1)N1CCCCc2cc(Cl)ccc21 ZINC000585114419 468976392 /nfs/dbraw/zinc/97/63/92/468976392.db2.gz ZQJBRHCTKYCQPX-LBPRGKRZSA-N 0 0 327.833 2.444 40 0 EEABRN CC(C)N1Cc2ccnn2[C@@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585113024 468976468 /nfs/dbraw/zinc/97/64/68/468976468.db2.gz ZZKLDLJQWNEIPF-ZDUSSCGKSA-N 0 0 326.391 2.200 40 0 EEABRN CC(C)(C)n1cnc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)n1 ZINC000585140424 468989265 /nfs/dbraw/zinc/98/92/65/468989265.db2.gz DGWVBWFFIHVMGA-ZDUSSCGKSA-N 0 0 340.387 2.130 40 0 EEABRN CC(C)(C)NC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000585147145 468992998 /nfs/dbraw/zinc/99/29/98/468992998.db2.gz NZVYPFXZLCFWRK-SNVBAGLBSA-N 0 0 343.225 2.200 40 0 EEABRN CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(Cc2c[nH]c3ccccc23)C1 ZINC000585182049 468994867 /nfs/dbraw/zinc/99/48/67/468994867.db2.gz ZYFUWIVWNUBVQG-LBPRGKRZSA-N 0 0 344.440 2.284 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1Cc1ccc(F)cc1 ZINC000585279239 469004917 /nfs/dbraw/zinc/00/49/17/469004917.db2.gz XYDQJFQEQVSYGV-RHSMWYFYSA-N 0 0 331.391 2.198 40 0 EEABRN CO[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1Cc1ccc(F)cc1 ZINC000585279238 469005036 /nfs/dbraw/zinc/00/50/36/469005036.db2.gz XYDQJFQEQVSYGV-PBHICJAKSA-N 0 0 331.391 2.198 40 0 EEABRN CNC(=O)C[C@@]1(COC)CCCN1C(=O)Cc1ccccc1Cl ZINC000585278727 469005153 /nfs/dbraw/zinc/00/51/53/469005153.db2.gz RIJFDMYVYIVKGV-QGZVFWFLSA-N 0 0 338.835 2.026 40 0 EEABRN CO[C@H]1CCN(C(=O)Cn2cc(C)cn2)C[C@H]1Cc1cccc(F)c1 ZINC000585278580 469005190 /nfs/dbraw/zinc/00/51/90/469005190.db2.gz UIASVNWCMPVROB-AEFFLSMTSA-N 0 0 345.418 2.437 40 0 EEABRN CO[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585279318 469006493 /nfs/dbraw/zinc/00/64/93/469006493.db2.gz KDTUWASUUVIGBD-AEFFLSMTSA-N 0 0 327.428 2.367 40 0 EEABRN Cc1ccc(C[C@H]2CCN(C(=O)/C=C/c3ccnn3C)C[C@H]2O)cc1 ZINC000585288988 469010188 /nfs/dbraw/zinc/01/01/88/469010188.db2.gz CNCXKRAWMAZUNK-RXOIRPBWSA-N 0 0 339.439 2.194 40 0 EEABRN CO[C@@H]1CN(Cc2[nH]cnc2C)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585292305 469011479 /nfs/dbraw/zinc/01/14/79/469011479.db2.gz ZXIHUXMALXPLBN-QXAKKESOSA-N 0 0 327.428 2.492 40 0 EEABRN COc1cc(C)nc(N2CCN(c3ccc(F)cc3OC)CC2)n1 ZINC000605148278 469544620 /nfs/dbraw/zinc/54/46/20/469544620.db2.gz VSNFNNVFPJIDFV-UHFFFAOYSA-N 0 0 332.379 2.268 40 0 EEABRN Cc1cc([C@H](NC(=O)N2CCC(O)(CO)CC2)C2CC2)ccc1F ZINC000664545790 471790019 /nfs/dbraw/zinc/79/00/19/471790019.db2.gz VGXZYSDVMBCSJW-MRXNPFEDSA-N 0 0 336.407 2.114 40 0 EEABRN Cn1nccc1CCC(=O)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257324936 501025528 /nfs/dbraw/zinc/02/55/28/501025528.db2.gz WQUVFOMFOTZPGL-CQSZACIVSA-N 0 0 338.415 2.030 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1 ZINC000183341917 534153715 /nfs/dbraw/zinc/15/37/15/534153715.db2.gz FVEWNRABKDXJAF-UHFFFAOYSA-N 0 0 337.401 2.262 40 0 EEABRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCc2ccco2)cc1 ZINC000186946459 534203739 /nfs/dbraw/zinc/20/37/39/534203739.db2.gz DACAEYIZEWFYAY-CYBMUJFWSA-N 0 0 336.413 2.250 40 0 EEABRN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@@H]1C=C[C@@]2(CO)O1 ZINC000169301984 534838211 /nfs/dbraw/zinc/83/82/11/534838211.db2.gz YWKKQTJSTXXAPM-NYUBLWNDSA-N 0 0 347.370 2.159 40 0 EEABRN Cc1n[nH]c(C)c1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000096473502 534840176 /nfs/dbraw/zinc/84/01/76/534840176.db2.gz XOJWJYJSJUPBTK-ZDUSSCGKSA-N 0 0 339.403 2.168 40 0 EEABRN Fc1cnc(N2CC3(C2)C[C@H](OCc2ccccn2)CS3)nc1 ZINC000247538343 526421472 /nfs/dbraw/zinc/42/14/72/526421472.db2.gz RHFGWQSJOHUYDC-AWEZNQCLSA-N 0 0 332.404 2.292 40 0 EEABRN Cc1noc(CCCNC(=O)C(=O)Nc2ccccc2C(C)C)n1 ZINC000096413579 526603349 /nfs/dbraw/zinc/60/33/49/526603349.db2.gz OGYPTYMNCUDJKX-UHFFFAOYSA-N 0 0 330.388 2.189 40 0 EEABRN CNS(=O)(=O)CCNC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000242047915 536473973 /nfs/dbraw/zinc/47/39/73/536473973.db2.gz VRDOPRHPONVFMC-UHFFFAOYSA-N 0 0 348.424 2.066 40 0 EEABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)(C)C ZINC000225569734 536046571 /nfs/dbraw/zinc/04/65/71/536046571.db2.gz VPJZZKVHTGKOLQ-AWEZNQCLSA-N 0 0 342.461 2.155 40 0 EEABRN CCc1cc(C(=O)N2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)on1 ZINC000257274999 536116612 /nfs/dbraw/zinc/11/66/12/536116612.db2.gz NNOTYPRXCJTDDU-VHDGCEQUSA-N 0 0 341.415 2.014 40 0 EEABRN NC(=O)c1nccnc1N1CCC[C@H]1c1cncc(Br)c1 ZINC000895704420 684690152 /nfs/dbraw/zinc/69/01/52/684690152.db2.gz MBPCXGHBNKIHLA-NSHDSACASA-N 0 0 348.204 2.075 40 0 EEABRN CCOC(=O)Cc1ccc(Br)c(CN2CCOCC2)c1 ZINC000103714242 1358340355 /nfs/dbraw/zinc/34/03/55/1358340355.db2.gz OTZWYQSREIHXAY-UHFFFAOYSA-N 0 0 342.233 2.387 40 0 EEABRN O=C(NC[C@H]1C[C@H](c2nnc[nH]2)C[C@H]1O)c1ccsc1C(F)F ZINC000826890655 1368113806 /nfs/dbraw/zinc/11/38/06/1368113806.db2.gz AOFKGGWQPNZMDW-QXFUBDJGSA-N 0 0 342.371 2.088 40 0 EEABRN CN1C[C@H](C(=O)Nc2nc(CC3CC3)ns2)c2ccccc2C1=O ZINC000952852355 796033536 /nfs/dbraw/zinc/03/35/36/796033536.db2.gz AOJKXFRWKKPJNG-ZDUSSCGKSA-N 0 0 342.424 2.299 40 0 EEABRN O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549168080 1121136138 /nfs/dbraw/zinc/13/61/38/1121136138.db2.gz STWKMMZZEVKXTJ-UHFFFAOYSA-N 0 0 334.803 2.037 40 0 EEABRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1=COCCO1 ZINC000132856881 529501783 /nfs/dbraw/zinc/50/17/83/529501783.db2.gz XLLJTCOAVADFPW-HNNXBMFYSA-N 0 0 326.780 2.287 40 0 EEABRN O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000003956343 210095496 /nfs/dbraw/zinc/09/54/96/210095496.db2.gz ZXUWZLKIDJMOQD-KRWDZBQOSA-N 0 0 343.456 2.061 40 0 EEABRN Cc1ccnc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)n1 ZINC000102242119 219192029 /nfs/dbraw/zinc/19/20/29/219192029.db2.gz VLVQCGUAXLUQRO-LBPRGKRZSA-N 0 0 335.335 2.487 40 0 EEABRN Cc1csc(=O)n1CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000044891370 213660476 /nfs/dbraw/zinc/66/04/76/213660476.db2.gz AHTQGHSEWOGMJP-UHFFFAOYSA-N 0 0 326.381 2.314 40 0 EEABRN O=c1ccc(S(=O)(=O)N2CCCC2)cn1C/C=C/c1ccccc1 ZINC000044889214 213657618 /nfs/dbraw/zinc/65/76/18/213657618.db2.gz NTWSABQUSLKQIN-RMKNXTFCSA-N 0 0 344.436 2.346 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc32)cc1F ZINC000044870302 213655300 /nfs/dbraw/zinc/65/53/00/213655300.db2.gz AUJOBJXXVDRATM-LLVKDONJSA-N 0 0 328.347 2.456 40 0 EEABRN Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 ZINC000067896620 215245675 /nfs/dbraw/zinc/24/56/75/215245675.db2.gz YOYUWDJAXWAWSG-UYAOXDASSA-N 0 0 340.423 2.162 40 0 biogenic,in-vitro EEABRN COc1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)cc1 ZINC000067897040 215246283 /nfs/dbraw/zinc/24/62/83/215246283.db2.gz WIYXNVHROQWUTD-MOPGFXCFSA-N 0 0 338.407 2.311 40 0 biogenic,in-vitro EEABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCC(=O)N1CCOCC1 ZINC000068933468 215346829 /nfs/dbraw/zinc/34/68/29/215346829.db2.gz HBOQRAHHVOMGRP-INIZCTEOSA-N 0 0 346.471 2.498 40 0 EEABRN NC(=O)c1ccccc1OCc1nnc(-c2cc3ccccn3n2)o1 ZINC000040714566 213372811 /nfs/dbraw/zinc/37/28/11/213372811.db2.gz IIMMKSGHGBVLRF-UHFFFAOYSA-N 0 0 335.323 2.062 40 0 EEABRN CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000039986762 213248471 /nfs/dbraw/zinc/24/84/71/213248471.db2.gz OMISKUALGDIKOH-UHFFFAOYSA-N 0 0 346.452 2.322 40 0 EEABRN O=C(CCS(=O)(=O)c1ccccc1)Nc1onc2c1CSC2 ZINC000038679883 213220178 /nfs/dbraw/zinc/22/01/78/213220178.db2.gz MKTYFTPTQZFYQN-UHFFFAOYSA-N 0 0 338.410 2.224 40 0 EEABRN Cn1cccc1[C@@H](CNC(=O)Nc1cccs1)N1CCOCC1 ZINC000038675997 213220239 /nfs/dbraw/zinc/22/02/39/213220239.db2.gz QGPUQIXGPIIJLP-CQSZACIVSA-N 0 0 334.445 2.282 40 0 EEABRN CCn1cc(C2CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cn1 ZINC000184519262 235418370 /nfs/dbraw/zinc/41/83/70/235418370.db2.gz CZCSOSZTLHWMQO-JTQLQIEISA-N 0 0 339.383 2.363 40 0 EEABRN O=C(CN1[C@H]2CC[C@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000036734667 213114725 /nfs/dbraw/zinc/11/47/25/213114725.db2.gz JQPOZDKUWZLNOL-VYDXJSESSA-N 0 0 338.411 2.494 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)n(C)n1 ZINC000071195800 215743976 /nfs/dbraw/zinc/74/39/76/215743976.db2.gz KYTYOGGUJGVASL-INIZCTEOSA-N 0 0 348.410 2.388 40 0 EEABRN COc1cccc(OC)c1CNS(=O)(=O)c1ccc(F)cc1 ZINC000033897851 212969123 /nfs/dbraw/zinc/96/91/23/212969123.db2.gz NGVPKNFWTAXTNE-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN O=C(c1ccsc1)N1C[C@H](OCc2ccccn2)[C@H]2COC[C@H]21 ZINC000107201338 219752968 /nfs/dbraw/zinc/75/29/68/219752968.db2.gz JFZJJFBAGUNOGN-XHSDSOJGSA-N 0 0 330.409 2.199 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)N3CCOCC3)C2)on1 ZINC000072334752 216156342 /nfs/dbraw/zinc/15/63/42/216156342.db2.gz HQTRCGYDUZOESD-CYBMUJFWSA-N 0 0 345.403 2.005 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 ZINC000072337329 216157780 /nfs/dbraw/zinc/15/77/80/216157780.db2.gz GFZBOZJPBWQVMY-NCNPBXTDSA-N 0 0 327.359 2.271 40 0 EEABRN O=C(c1ncoc1-c1cccs1)N1CCN(c2ncccn2)CC1 ZINC000072346361 216159706 /nfs/dbraw/zinc/15/97/06/216159706.db2.gz XHMBPBWYCSFZPD-UHFFFAOYSA-N 0 0 341.396 2.156 40 0 EEABRN Cc1cc(N)nc([C@]2(C)CCCN2C(=O)COc2ccccc2)n1 ZINC000072388543 216189163 /nfs/dbraw/zinc/18/91/63/216189163.db2.gz GXMLHNGAVHJPES-SFHVURJKSA-N 0 0 326.400 2.284 40 0 EEABRN CC(C)[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000193924492 240363738 /nfs/dbraw/zinc/36/37/38/240363738.db2.gz SIHJHTGHIDTTCV-SMDDNHRTSA-N 0 0 346.880 2.433 40 0 EEABRN Cc1ccccc1Cc1noc(CN[C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC000131303210 223220864 /nfs/dbraw/zinc/22/08/64/223220864.db2.gz MUGIZWSRHHALTI-LSDHHAIUSA-N 0 0 328.416 2.103 40 0 EEABRN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1Br ZINC000072963990 216332506 /nfs/dbraw/zinc/33/25/06/216332506.db2.gz HONVMLSSRWJULN-PWSUYJOCSA-N 0 0 348.624 2.211 40 0 EEABRN Cn1cccc1[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000075155129 216586765 /nfs/dbraw/zinc/58/67/65/216586765.db2.gz HDWVKTCNWPVQLL-ZDUSSCGKSA-N 0 0 348.346 2.056 40 0 EEABRN COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)nn1 ZINC000075172699 216596045 /nfs/dbraw/zinc/59/60/45/216596045.db2.gz RSAALMNXYFXLGL-UHFFFAOYSA-N 0 0 348.790 2.228 40 0 EEABRN O=C(c1ccc(=O)[nH]n1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219076737 241364791 /nfs/dbraw/zinc/36/47/91/241364791.db2.gz CLDKAVQDIVARSC-AWEZNQCLSA-N 0 0 333.388 2.229 40 0 EEABRN CN(C(=O)[C@@H](N)c1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000225463917 241877947 /nfs/dbraw/zinc/87/79/47/241877947.db2.gz KIRJJAMCKVZODE-SJORKVTESA-N 0 0 341.386 2.089 40 0 EEABRN O=C1CCCN1CCNC(=S)Nc1cccc(Br)c1 ZINC000225811448 242048932 /nfs/dbraw/zinc/04/89/32/242048932.db2.gz BLOSHSDSKSSPCB-UHFFFAOYSA-N 0 0 342.262 2.358 40 0 EEABRN CCOCCCNC(=O)CCc1nc(-c2cccc(OC)c2)no1 ZINC000225824856 242053549 /nfs/dbraw/zinc/05/35/49/242053549.db2.gz ITYNVEYRKKHEMP-UHFFFAOYSA-N 0 0 333.388 2.221 40 0 EEABRN CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225737326 242012145 /nfs/dbraw/zinc/01/21/45/242012145.db2.gz GLBUTYKRGANKBK-UHFFFAOYSA-N 0 0 334.422 2.019 40 0 EEABRN COC[C@@H](O)CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000225784475 242033619 /nfs/dbraw/zinc/03/36/19/242033619.db2.gz RFOSDTWJJRAFDC-XHVZSJERSA-N 0 0 333.215 2.156 40 0 EEABRN CC(C)n1nccc1NC(=O)COc1cccc2c1NC(=O)CC2 ZINC000227158764 242123760 /nfs/dbraw/zinc/12/37/60/242123760.db2.gz ANPFQRSBEQUDOH-UHFFFAOYSA-N 0 0 328.372 2.366 40 0 EEABRN O=C(Cn1cc(COc2ccccc2F)nn1)Nc1cccnc1 ZINC000227167752 242127744 /nfs/dbraw/zinc/12/77/44/242127744.db2.gz HKDDWEYFVGWDIL-UHFFFAOYSA-N 0 0 327.319 2.030 40 0 EEABRN CSc1nsc(NC(=O)N2CCC[C@H]2c2noc(C)n2)n1 ZINC000242316987 243016435 /nfs/dbraw/zinc/01/64/35/243016435.db2.gz YWJFSTUTGDBNEB-ZETCQYMHSA-N 0 0 326.407 2.320 40 0 EEABRN Cc1ccc(CCCN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC000241942324 243006174 /nfs/dbraw/zinc/00/61/74/243006174.db2.gz ULPALNDNWSVKKN-GOSISDBHSA-N 0 0 347.484 2.133 40 0 EEABRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000245344099 243104754 /nfs/dbraw/zinc/10/47/54/243104754.db2.gz XMTXBDZJOJHMKO-URLYELCFSA-N 0 0 342.439 2.446 40 0 EEABRN COC[C@@H]1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@@H](C)O1 ZINC000252015040 243751542 /nfs/dbraw/zinc/75/15/42/243751542.db2.gz YBCYLYJPQYCJNQ-DFJGONKVSA-N 0 0 330.428 2.018 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNC(=O)NCC[S@@](=O)C(C)(C)C)c1 ZINC000252492087 243802294 /nfs/dbraw/zinc/80/22/94/243802294.db2.gz MBXLVFMXFJBYRY-IQMFZBJNSA-N 0 0 340.489 2.183 40 0 EEABRN COc1cccc(CCNC(=O)c2cccnc2O[C@@H]2CCOC2)c1 ZINC000253403628 243908778 /nfs/dbraw/zinc/90/87/78/243908778.db2.gz QGLHHMMZGARZPC-MRXNPFEDSA-N 0 0 342.395 2.230 40 0 EEABRN O=C(CCc1cccs1)NC[C@@]1(O)CCCN(c2ccccn2)C1 ZINC000257201464 244122407 /nfs/dbraw/zinc/12/24/07/244122407.db2.gz AHUWFTCXCDBMAP-SFHVURJKSA-N 0 0 345.468 2.223 40 0 EEABRN Cc1ccnn1CCC(=O)N1CCCC[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257210237 244146356 /nfs/dbraw/zinc/14/63/56/244146356.db2.gz BTSZYXQWBOABPI-YJBOKZPZSA-N 0 0 332.448 2.022 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 ZINC000257224763 244197217 /nfs/dbraw/zinc/19/72/17/244197217.db2.gz FDHAKRRWOQXSTH-AWEZNQCLSA-N 0 0 348.410 2.357 40 0 EEABRN CCCn1cc(CN2CCC[C@H]2c2nccc(CNC(C)=O)n2)cn1 ZINC000257230800 244214244 /nfs/dbraw/zinc/21/42/44/244214244.db2.gz GDYXQAXJZVFMFB-KRWDZBQOSA-N 0 0 342.447 2.056 40 0 EEABRN COc1ccc(CC(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)cc1 ZINC000257234204 244222511 /nfs/dbraw/zinc/22/25/11/244222511.db2.gz GSOJIJWDRZOOBC-DOTOQJQBSA-N 0 0 330.428 2.097 40 0 EEABRN O=C(c1ccc2ccccc2n1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257241317 244245873 /nfs/dbraw/zinc/24/58/73/244245873.db2.gz HXPROYBHJPALSN-QGZVFWFLSA-N 0 0 348.406 2.499 40 0 EEABRN Cn1nccc1-c1nccnc1C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000257247778 244259634 /nfs/dbraw/zinc/25/96/34/244259634.db2.gz JALPYNLXDHHILQ-ZDUSSCGKSA-N 0 0 327.432 2.314 40 0 EEABRN O=C(CC1(O)CCCCC1)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257251004 244268214 /nfs/dbraw/zinc/26/82/14/244268214.db2.gz JOZCJPAXAXHINQ-OWCLPIDISA-N 0 0 344.459 2.211 40 0 EEABRN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccnc(C)n2)nc1 ZINC000257250374 244268774 /nfs/dbraw/zinc/26/87/74/244268774.db2.gz JMGVTXQQOCVYFJ-SFHVURJKSA-N 0 0 325.416 2.153 40 0 EEABRN Cc1cc(CC2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)ccn1 ZINC000257254038 244276105 /nfs/dbraw/zinc/27/61/05/244276105.db2.gz KBIFZMKHNQJUKL-UHFFFAOYSA-N 0 0 325.412 2.184 40 0 EEABRN O=C(CCc1cccs1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265423 244360245 /nfs/dbraw/zinc/36/02/45/244360245.db2.gz LYOYLLFKPJRCIK-CQSZACIVSA-N 0 0 347.440 2.037 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1ccccn1 ZINC000257267323 244363228 /nfs/dbraw/zinc/36/32/28/244363228.db2.gz MGUDFNZWYHCNBZ-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN COCC(=O)N1CCC[C@H](c2cnc(-c3ccnn3C(C)C)cn2)C1 ZINC000257270820 244375739 /nfs/dbraw/zinc/37/57/39/244375739.db2.gz MVUARTITKNXCAO-AWEZNQCLSA-N 0 0 343.431 2.273 40 0 EEABRN Cc1cc(F)ccc1CC(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257261616 244348942 /nfs/dbraw/zinc/34/89/42/244348942.db2.gz LICUWCKAMJSCTL-INIZCTEOSA-N 0 0 345.374 2.081 40 0 EEABRN CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000257278064 244397970 /nfs/dbraw/zinc/39/79/70/244397970.db2.gz OAPLARIZAFAGBP-GOSISDBHSA-N 0 0 344.436 2.281 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257315856 244503465 /nfs/dbraw/zinc/50/34/65/244503465.db2.gz VDACDQPBKJHLMR-CYBMUJFWSA-N 0 0 347.415 2.169 40 0 EEABRN CCc1cc(C(=O)N2CCC(c3ccnc4ccnn43)CC2)on1 ZINC000257324286 244528667 /nfs/dbraw/zinc/52/86/67/244528667.db2.gz WNZJAPBDVDSHAJ-UHFFFAOYSA-N 0 0 325.372 2.300 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703611 212055264 /nfs/dbraw/zinc/05/52/64/212055264.db2.gz RBVFGPGAADNBRF-INIZCTEOSA-N 0 0 347.390 2.480 40 0 EEABRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cnccn1 ZINC000225719635 284248070 /nfs/dbraw/zinc/24/80/70/284248070.db2.gz ZGKFQOUYOXASGX-NSHDSACASA-N 0 0 338.136 2.242 40 0 EEABRN O=C(N[C@@H](Cc1cccs1)c1nccs1)[C@@H]1CSCN1 ZINC000019343274 212017976 /nfs/dbraw/zinc/01/79/76/212017976.db2.gz JNASUURVQLMQMI-QWRGUYRKSA-N 0 0 325.484 2.267 40 0 EEABRN O=C(c1cccnc1)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000019340280 212017587 /nfs/dbraw/zinc/01/75/87/212017587.db2.gz QCJNNXUBTMCEKF-MRXNPFEDSA-N 0 0 347.378 2.204 40 0 EEABRN Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)NC(C)C)c12 ZINC000045682594 213749811 /nfs/dbraw/zinc/74/98/11/213749811.db2.gz BYCFMPAKCBMGSF-UHFFFAOYSA-N 0 0 343.339 2.473 40 0 EEABRN CC(C)(C)n1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cn1 ZINC000078112869 217023346 /nfs/dbraw/zinc/02/33/46/217023346.db2.gz NLSGUSPDGZHXQI-QGZVFWFLSA-N 0 0 342.443 2.478 40 0 EEABRN Cc1cccc(CN2CCCN(C(=O)c3ccnn3C(F)F)CC2)n1 ZINC000019236281 212007480 /nfs/dbraw/zinc/00/74/80/212007480.db2.gz IAWMKKJPMPUABM-UHFFFAOYSA-N 0 0 349.385 2.330 40 0 EEABRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000078234794 217032566 /nfs/dbraw/zinc/03/25/66/217032566.db2.gz VIRMJESQVKAHKH-UHFFFAOYSA-N 0 0 330.409 2.421 40 0 EEABRN CC(C)c1nc(C[S@@](=O)CC(=O)NCC(F)(F)F)cs1 ZINC000078394665 217046981 /nfs/dbraw/zinc/04/69/81/217046981.db2.gz JRXKYTDBKKGJKP-FQEVSTJZSA-N 0 0 328.381 2.194 40 0 EEABRN O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000078556649 217076988 /nfs/dbraw/zinc/07/69/88/217076988.db2.gz YUJJECKJYBEPSM-ARFHVFGLSA-N 0 0 331.416 2.169 40 0 EEABRN Cc1c(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cnn1C ZINC000078781880 217120184 /nfs/dbraw/zinc/12/01/84/217120184.db2.gz XXNVPYPLFJOIRR-HNNXBMFYSA-N 0 0 346.818 2.259 40 0 EEABRN O=C(Cc1noc2ccccc12)NCC[S@](=O)Cc1ccccc1 ZINC000078778902 217120336 /nfs/dbraw/zinc/12/03/36/217120336.db2.gz PXGLERVASKYNEY-XMMPIXPASA-N 0 0 342.420 2.435 40 0 EEABRN Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)CC2 ZINC000079309502 217205628 /nfs/dbraw/zinc/20/56/28/217205628.db2.gz RVHOTWGSYNAZIN-VQIMIIECSA-N 0 0 335.407 2.499 40 0 EEABRN O=C(NC[C@@H]1CCCCO1)C(=O)c1ccc(Br)cc1 ZINC000079309449 217205943 /nfs/dbraw/zinc/20/59/43/217205943.db2.gz UCASJYIWQOKFAI-LBPRGKRZSA-N 0 0 326.190 2.317 40 0 EEABRN COC(=O)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000079310088 217207215 /nfs/dbraw/zinc/20/72/15/217207215.db2.gz ZJLDVBXKJRCKST-SNVBAGLBSA-N 0 0 335.791 2.422 40 0 EEABRN O=C(NCCc1ccc2c(c1)CCO2)C(=O)Nc1cccc(F)c1F ZINC000079350677 217212091 /nfs/dbraw/zinc/21/20/91/217212091.db2.gz ONGRMGYYRAYGJS-UHFFFAOYSA-N 0 0 346.333 2.197 40 0 EEABRN Cc1cc(NC(=O)CN(C)[C@H]2CCCc3nc(C)sc32)n(C)n1 ZINC000079354252 217213908 /nfs/dbraw/zinc/21/39/08/217213908.db2.gz HNCPZYHXJZBCMZ-ZDUSSCGKSA-N 0 0 333.461 2.441 40 0 EEABRN CN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000079358520 217214845 /nfs/dbraw/zinc/21/48/45/217214845.db2.gz RDBDOCRVTZUKTL-NVXWUHKLSA-N 0 0 348.468 2.062 40 0 EEABRN C[C@H](Nc1cnn(C)c(=O)c1Cl)c1cccc(-n2cncn2)c1 ZINC000080677537 217324614 /nfs/dbraw/zinc/32/46/14/217324614.db2.gz PBMOYZFKDDXNHN-JTQLQIEISA-N 0 0 330.779 2.188 40 0 EEABRN CN(Cc1cnn(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097183 217360941 /nfs/dbraw/zinc/36/09/41/217360941.db2.gz QOFMOKXKSYQMFW-IRXDYDNUSA-N 0 0 348.472 2.055 40 0 EEABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCC[C@H]1O ZINC000086334081 217695600 /nfs/dbraw/zinc/69/56/00/217695600.db2.gz NKHCZXJFWARJIX-TVQRCGJNSA-N 0 0 345.226 2.000 40 0 EEABRN O=C(c1ccnnc1)N1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000096040313 296275632 /nfs/dbraw/zinc/27/56/32/296275632.db2.gz LUQQQNADYDLEEF-HKUYNNGSSA-N 0 0 345.443 2.305 40 0 EEABRN Cc1cc2nc3c(c(=O)n2[n-]1)CC[N@H+](Cc1cccc(F)c1)CC3 ZINC000012408072 211370865 /nfs/dbraw/zinc/37/08/65/211370865.db2.gz YTCYVKXIHLEGPP-UHFFFAOYSA-N 0 0 326.375 2.483 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000012337887 211350988 /nfs/dbraw/zinc/35/09/88/211350988.db2.gz NHGWBLPGFGIEQY-AWEZNQCLSA-N 0 0 327.384 2.058 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1c1ccc(F)cc1 ZINC000012157290 211309380 /nfs/dbraw/zinc/30/93/80/211309380.db2.gz LZNNQMGLKRTMEY-CVEARBPZSA-N 0 0 328.343 2.250 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2cccnc2)CC1 ZINC000012222006 211323450 /nfs/dbraw/zinc/32/34/50/211323450.db2.gz CUUIXPCPFRHEAG-NVXWUHKLSA-N 0 0 331.460 2.060 40 0 EEABRN C[C@H]1CCc2noc(C3CCN(C(=O)CCn4cncn4)CC3)c2C1 ZINC000012119879 211298220 /nfs/dbraw/zinc/29/82/20/211298220.db2.gz NJEFIYIMEBNFHH-ZDUSSCGKSA-N 0 0 343.431 2.187 40 0 EEABRN CCOc1ccc2[nH]cc(NC(=O)NC[C@@H]3CCCO3)c(=O)c2n1 ZINC000012117463 211296658 /nfs/dbraw/zinc/29/66/58/211296658.db2.gz ZNORHSCFDSNQAS-JTQLQIEISA-N 0 0 332.360 2.035 40 0 EEABRN O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1nccs1 ZINC000012114661 211294566 /nfs/dbraw/zinc/29/45/66/211294566.db2.gz BWBURWQGBRDXHJ-UHFFFAOYSA-N 0 0 342.428 2.163 40 0 EEABRN C=COCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000012145813 211305637 /nfs/dbraw/zinc/30/56/37/211305637.db2.gz AGXPIQBCOBKDKZ-CQSZACIVSA-N 0 0 328.416 2.066 40 0 EEABRN C[C@@H](Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000091427599 218003792 /nfs/dbraw/zinc/00/37/92/218003792.db2.gz GVXVLWXZQSKSPW-KCJUWKMLSA-N 0 0 338.351 2.332 40 0 EEABRN Cc1ccc(-c2ncc(CN3CCN4C(=O)NC[C@@H]4C3)s2)cc1 ZINC000091865664 218079608 /nfs/dbraw/zinc/07/96/08/218079608.db2.gz XLWVHFHNSHYDFY-CQSZACIVSA-N 0 0 328.441 2.328 40 0 EEABRN Brc1ccc2ncc(CN3CCC4(C3)OCCO4)n2c1 ZINC000093012921 218186080 /nfs/dbraw/zinc/18/60/80/218186080.db2.gz RBXBTUJCOHZDIB-UHFFFAOYSA-N 0 0 338.205 2.046 40 0 EEABRN O=C(c1cscn1)N1CCC[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096158124 218632619 /nfs/dbraw/zinc/63/26/19/218632619.db2.gz BLAZNTCVIZJVFK-INIZCTEOSA-N 0 0 347.419 2.205 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000096181923 218643594 /nfs/dbraw/zinc/64/35/94/218643594.db2.gz KAHHZMGCZUKYFU-SJLPKXTDSA-N 0 0 341.386 2.447 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)cs1 ZINC000096217588 218691774 /nfs/dbraw/zinc/69/17/74/218691774.db2.gz GJCSSUNIKFUJEM-AWEZNQCLSA-N 0 0 346.408 2.436 40 0 EEABRN c1ccc(Nc2ccnc([C@@H]3COCCN3C3CCOCC3)n2)nc1 ZINC000096215778 218688722 /nfs/dbraw/zinc/68/87/22/218688722.db2.gz CCTQSECJWZKJOH-HNNXBMFYSA-N 0 0 341.415 2.168 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCC4CCCCC4)C[C@@H]32)C(=O)N1C ZINC000096261425 218731710 /nfs/dbraw/zinc/73/17/10/218731710.db2.gz OJQJCYRUZVMPGT-JTDSTZFVSA-N 0 0 346.475 2.247 40 0 EEABRN Cc1nnc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000096404580 218753720 /nfs/dbraw/zinc/75/37/20/218753720.db2.gz ZJBTUXVAFLPXBX-UHFFFAOYSA-N 0 0 340.836 2.335 40 0 EEABRN CCC[C@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccccc1 ZINC000096421414 218786733 /nfs/dbraw/zinc/78/67/33/218786733.db2.gz VZBNWTSDBSCWIK-WMZOPIPTSA-N 0 0 330.432 2.468 40 0 EEABRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3nccnc3N)[C@H](C)CO2)c1 ZINC000096426738 218796869 /nfs/dbraw/zinc/79/68/69/218796869.db2.gz UCRCWHDOGMDQLL-HIFRSBDPSA-N 0 0 326.400 2.278 40 0 EEABRN Cc1c(F)cccc1S(=O)(=O)NCC[S@](=O)c1ccccc1 ZINC000096427993 218800852 /nfs/dbraw/zinc/80/08/52/218800852.db2.gz JQUJLILJTBNMRB-OAQYLSRUSA-N 0 0 341.429 2.220 40 0 EEABRN COC(=O)C[C@@H]1CN(Cc2ccc(Br)cc2)CCO1 ZINC000096455369 218840041 /nfs/dbraw/zinc/84/00/41/218840041.db2.gz YQAWMDOEPBIYQW-CYBMUJFWSA-N 0 0 328.206 2.213 40 0 EEABRN CC[C@@H](CNC(=O)[C@@H]1COCCN1C(C)=O)c1ccc(Cl)cc1 ZINC000096486977 218864377 /nfs/dbraw/zinc/86/43/77/218864377.db2.gz KFRGAWHYUBRMAF-BBRMVZONSA-N 0 0 338.835 2.197 40 0 EEABRN Cc1cc(C(=O)NC[C@@]2(O)CCSC2)nn1-c1cc(C)cc(C)c1 ZINC000096495110 218872680 /nfs/dbraw/zinc/87/26/80/218872680.db2.gz FTGLDYQVSBVODC-SFHVURJKSA-N 0 0 345.468 2.395 40 0 EEABRN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1nnc(-c2ccncc2)[nH]1 ZINC000005001923 210357099 /nfs/dbraw/zinc/35/70/99/210357099.db2.gz LCXPYZMHUNTEFR-SECBINFHSA-N 0 0 328.763 2.406 40 0 EEABRN CC(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 ZINC000004903284 210317157 /nfs/dbraw/zinc/31/71/57/210317157.db2.gz APOMVSXLNWIBTM-IUCAKERBSA-N 0 0 328.463 2.378 40 0 EEABRN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1C ZINC000408605143 257894161 /nfs/dbraw/zinc/89/41/61/257894161.db2.gz MSGRUGSJJNGORC-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN C[C@H](C(=O)NC(C)(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956750 257915185 /nfs/dbraw/zinc/91/51/85/257915185.db2.gz HMXYJUUQUPKZOY-SECBINFHSA-N 0 0 334.388 2.034 40 0 EEABRN CC[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)C(=O)N1CCOCC1 ZINC000176620143 258071862 /nfs/dbraw/zinc/07/18/62/258071862.db2.gz NTQDUMRVJCAQIB-SJORKVTESA-N 0 0 345.443 2.171 40 0 EEABRN CCOC(=O)[C@@H](C)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327509 285841775 /nfs/dbraw/zinc/84/17/75/285841775.db2.gz QDEKUHMSPGWBFV-YJYMSZOUSA-N 0 0 345.395 2.355 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218487627 286181146 /nfs/dbraw/zinc/18/11/46/286181146.db2.gz KGOMHKWVBJQRJM-OBJOEFQTSA-N 0 0 347.889 2.159 40 0 EEABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2cccnc2)cc1 ZINC000257213091 286378569 /nfs/dbraw/zinc/37/85/69/286378569.db2.gz CGDLHQJJYMICPZ-LJQANCHMSA-N 0 0 325.412 2.496 40 0 EEABRN CC(=O)NCc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)s1 ZINC000360189700 164253672 /nfs/dbraw/zinc/25/36/72/164253672.db2.gz RUFFLISNUDCTNX-UHFFFAOYSA-N 0 0 348.428 2.254 40 0 EEABRN CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)Cc1ccon1 ZINC000088787336 287185998 /nfs/dbraw/zinc/18/59/98/287185998.db2.gz JMCNLUDQCKLJGT-OAHLLOKOSA-N 0 0 335.429 2.235 40 0 EEABRN O=C(NCC[C@H]1CCCCO1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000272685365 269008809 /nfs/dbraw/zinc/00/88/09/269008809.db2.gz UHWJWLDMOHALQL-HZPDHXFCSA-N 0 0 334.391 2.254 40 0 EEABRN Cn1nccc1S(=O)(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000274422552 269033033 /nfs/dbraw/zinc/03/30/33/269033033.db2.gz AERJYGDXPHEYKG-UHFFFAOYSA-N 0 0 331.800 2.426 40 0 EEABRN O=C(c1cncc(-n2ccnn2)c1)N1CCOc2c(Cl)cccc21 ZINC000253392823 275015459 /nfs/dbraw/zinc/01/54/59/275015459.db2.gz HLIPQLSDLMAKMO-UHFFFAOYSA-N 0 0 341.758 2.355 40 0 EEABRN CCCn1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)n1 ZINC000257261604 276058841 /nfs/dbraw/zinc/05/88/41/276058841.db2.gz LIBABGLEBBBEAW-KRWDZBQOSA-N 0 0 342.443 2.431 40 0 EEABRN CCCC(=O)N1CCN(c2c(Cl)cccc2-n2cnnc2)CC1 ZINC000072230184 276223514 /nfs/dbraw/zinc/22/35/14/276223514.db2.gz KUMOMGSFAHOBPL-UHFFFAOYSA-N 0 0 333.823 2.369 40 0 EEABRN C[C@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)nn2)c2cccnc2O1 ZINC000158160491 279823609 /nfs/dbraw/zinc/82/36/09/279823609.db2.gz DSYISVVNXCKTKA-NSHDSACASA-N 0 0 339.330 2.229 40 0 EEABRN CN(C)C(=O)c1cnc([C@H]2CCCN2C(=O)c2ccccn2)s1 ZINC000257221447 289034816 /nfs/dbraw/zinc/03/48/16/289034816.db2.gz DPBSBKRTXKIRNP-GFCCVEGCSA-N 0 0 330.413 2.217 40 0 EEABRN Cc1ccsc1C(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214991 302300046 /nfs/dbraw/zinc/30/00/46/302300046.db2.gz JEWONAFPZCJCOC-OAHLLOKOSA-N 0 0 342.486 2.087 40 0 EEABRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000329312584 311665652 /nfs/dbraw/zinc/66/56/52/311665652.db2.gz PZDARNNMWBCSBR-LBPRGKRZSA-N 0 0 327.432 2.190 40 0 EEABRN C[C@@H](Cn1ccnc1S(C)(=O)=O)C(=O)c1ccc(F)c(F)c1 ZINC000097238324 323321600 /nfs/dbraw/zinc/32/16/00/323321600.db2.gz UBONCIPQWRDOFZ-VIFPVBQESA-N 0 0 328.340 2.084 40 0 EEABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000097378145 323322067 /nfs/dbraw/zinc/32/20/67/323322067.db2.gz AQZAANGYLNQPRG-JSGCOSHPSA-N 0 0 346.349 2.330 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCCc1ccc(C)cc1)CC2 ZINC000163378691 323334422 /nfs/dbraw/zinc/33/44/22/323334422.db2.gz XMUDCVUUZYNKFK-ZWKOTPCHSA-N 0 0 346.471 2.499 40 0 EEABRN C[C@@H]1CN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@H](C)CO1 ZINC000186774769 323446916 /nfs/dbraw/zinc/44/69/16/323446916.db2.gz BZKXFBZRYCJNLY-VXGBXAGGSA-N 0 0 337.386 2.080 40 0 EEABRN O=C([O-])c1c[nH+]c2ccccc2c1NC1CCN(c2cccnn2)CC1 ZINC000581014617 324170001 /nfs/dbraw/zinc/17/00/01/324170001.db2.gz YOWVDHPIDQUATM-UHFFFAOYSA-N 0 0 349.394 2.226 40 0 EEABRN CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCC1=O ZINC000252488817 464965684 /nfs/dbraw/zinc/96/56/84/464965684.db2.gz IZQPBQCFFGPKAZ-UHFFFAOYSA-N 0 0 336.457 2.406 40 0 EEABRN COc1cc2c(cc1OC)CN(C(=O)NCc1cc(C)no1)CC2 ZINC000060241302 462540683 /nfs/dbraw/zinc/54/06/83/462540683.db2.gz LFVGQHCNEYPHDF-UHFFFAOYSA-N 0 0 331.372 2.268 40 0 EEABRN c1ccc2sc(N3CCOC[C@H](Oc4cnccn4)C3)nc2c1 ZINC000085436008 462547427 /nfs/dbraw/zinc/54/74/27/462547427.db2.gz OLHSAGNIADKPOU-GFCCVEGCSA-N 0 0 328.397 2.371 40 0 biogenic,in-vitro EEABRN Cc1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 ZINC000085436222 462547822 /nfs/dbraw/zinc/54/78/22/462547822.db2.gz BPKQHBCZPPDTDD-GOSISDBHSA-N 0 0 329.444 2.096 40 0 biogenic,in-vitro EEABRN Cc1ccc(NC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000000417093 462559882 /nfs/dbraw/zinc/55/98/82/462559882.db2.gz VCPKAXICVZQNAT-UHFFFAOYSA-N 0 0 336.399 2.353 40 0 EEABRN CC(=O)c1cccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 ZINC000000582576 462571508 /nfs/dbraw/zinc/57/15/08/462571508.db2.gz HNZIMBWCMFTCEX-UHFFFAOYSA-N 0 0 346.408 2.294 40 0 EEABRN CCn1cc(C(=O)N(C)Cc2nn(CC)cc2Br)cn1 ZINC000002804485 462603905 /nfs/dbraw/zinc/60/39/05/462603905.db2.gz MPBBEZNQRDIPPI-UHFFFAOYSA-N 0 0 340.225 2.154 40 0 EEABRN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC000045677813 462606982 /nfs/dbraw/zinc/60/69/82/462606982.db2.gz XKJNSESPSWJLOI-UHFFFAOYSA-N 0 0 338.454 2.036 40 0 EEABRN CCc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC000074581910 462615361 /nfs/dbraw/zinc/61/53/61/462615361.db2.gz LCKOHFCIIUKZGF-TZMCWYRMSA-N 0 0 330.413 2.259 40 0 EEABRN O=C(NC1CCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000113958649 462618856 /nfs/dbraw/zinc/61/88/56/462618856.db2.gz QGNJKHJYBJTXPB-UHFFFAOYSA-N 0 0 336.457 2.285 40 0 EEABRN Cc1oc(C(=O)NCc2c(C)cc(C)cc2C)cc1S(N)(=O)=O ZINC000088271497 462622070 /nfs/dbraw/zinc/62/20/70/462622070.db2.gz WMKOCXDMJRZVOP-UHFFFAOYSA-N 0 0 336.413 2.091 40 0 EEABRN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCc1cccnc1 ZINC000005396937 462658563 /nfs/dbraw/zinc/65/85/63/462658563.db2.gz CZCNTPUNAJJUFD-RDJZCZTQSA-N 0 0 329.444 2.373 40 0 biogenic,in-vitro EEABRN C[S@](=O)CC[C@H]1C(=O)O[C@@H](C(C)(C)C)N1C(=O)c1ccccc1 ZINC000005714681 462667843 /nfs/dbraw/zinc/66/78/43/462667843.db2.gz ZVOJFNZMAQFTHI-AXBCGAQBSA-N 0 0 337.441 2.195 40 0 EEABRN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1COc2ccccc2O1 ZINC000006260995 462680620 /nfs/dbraw/zinc/68/06/20/462680620.db2.gz SMMCJVQNBZTOEM-OWNNVSBGSA-N 0 0 339.347 2.385 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCC2)cc1 ZINC000046476089 462683395 /nfs/dbraw/zinc/68/33/95/462683395.db2.gz ACKNZRIJLPEVHZ-UHFFFAOYSA-N 0 0 342.486 2.464 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCN(CCn3ccnc3)CC2)cc1 ZINC000075158002 462688894 /nfs/dbraw/zinc/68/88/94/462688894.db2.gz KNUZJKDEWCFCJV-UHFFFAOYSA-N 0 0 342.443 2.128 40 0 EEABRN Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccccc2)n1 ZINC000075170710 462690813 /nfs/dbraw/zinc/69/08/13/462690813.db2.gz LTKYPZDSRQRMLN-UHFFFAOYSA-N 0 0 345.346 2.325 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006779414 462704896 /nfs/dbraw/zinc/70/48/96/462704896.db2.gz ISKSGNJFHKSPCO-CYBMUJFWSA-N 0 0 342.436 2.095 40 0 EEABRN CCc1nsc(N2CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 ZINC000075391346 462714685 /nfs/dbraw/zinc/71/46/85/462714685.db2.gz RDOWFJLPRJKXES-UHFFFAOYSA-N 0 0 348.476 2.300 40 0 EEABRN CC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)C(=O)c1ccccc1 ZINC000007939494 462758303 /nfs/dbraw/zinc/75/83/03/462758303.db2.gz XZRDEPNQDSXNHF-JOWFITRBSA-N 0 0 328.364 2.389 40 0 EEABRN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2F)cc1 ZINC000008289252 462777091 /nfs/dbraw/zinc/77/70/91/462777091.db2.gz FCPPCIBZWSQRBO-UHFFFAOYSA-N 0 0 336.388 2.441 40 0 EEABRN COc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000011646094 462835291 /nfs/dbraw/zinc/83/52/91/462835291.db2.gz NNGLNCDHOLBBNH-LBPRGKRZSA-N 0 0 326.352 2.448 40 0 EEABRN O=S1(=O)CC[C@@H](NC[C@@H](O)c2ccco2)c2cc(Cl)ccc21 ZINC000155017967 462836433 /nfs/dbraw/zinc/83/64/33/462836433.db2.gz ISWJWOSSBHGOHK-CHWSQXEVSA-N 0 0 341.816 2.475 40 0 EEABRN C[C@@H](Cn1nnc2ccccc21)NC(=O)CCn1ncc2ccccc21 ZINC000012141891 462844848 /nfs/dbraw/zinc/84/48/48/462844848.db2.gz ZLMXHWPNAXPUFB-AWEZNQCLSA-N 0 0 348.410 2.376 40 0 EEABRN CN(C)C(=O)[C@H]1CSCN1C(=O)CCc1cc(Cl)cs1 ZINC000076348003 462846250 /nfs/dbraw/zinc/84/62/50/462846250.db2.gz BJFQAVVDNFVNQK-LLVKDONJSA-N 0 0 332.878 2.324 40 0 EEABRN COC(=O)c1ccc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048007541 462848053 /nfs/dbraw/zinc/84/80/53/462848053.db2.gz IRTPLMHXGWBWAZ-IHRRRGAJSA-N 0 0 349.431 2.092 40 0 EEABRN O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000013942755 462906014 /nfs/dbraw/zinc/90/60/14/462906014.db2.gz VWBDEWVUXHTTKL-HZSPNIEDSA-N 0 0 339.798 2.207 40 0 EEABRN CC(=O)NCCCNC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000076943786 462924502 /nfs/dbraw/zinc/92/45/02/462924502.db2.gz JGVCXTMWONVSCE-LBPRGKRZSA-N 0 0 325.840 2.439 40 0 EEABRN O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 ZINC000077266661 462960882 /nfs/dbraw/zinc/96/08/82/462960882.db2.gz XHNJOFJZQDYOBE-GOSISDBHSA-N 0 0 340.402 2.343 40 0 biogenic,in-vitro EEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C)c2C)cc1 ZINC000016085386 462969339 /nfs/dbraw/zinc/96/93/39/462969339.db2.gz FLDYQQJGPRMIKL-UHFFFAOYSA-N 0 0 348.424 2.229 40 0 EEABRN Cc1cccc(CNC(=O)Nc2ccn(CCCC(=O)N(C)C)n2)c1 ZINC000077517079 462998556 /nfs/dbraw/zinc/99/85/56/462998556.db2.gz RAZQIYWUUWMCLU-UHFFFAOYSA-N 0 0 343.431 2.382 40 0 EEABRN CC(C)(C)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)nn1 ZINC000156248334 462998727 /nfs/dbraw/zinc/99/87/27/462998727.db2.gz GCFYPKBDJMYCLW-AWEZNQCLSA-N 0 0 328.416 2.499 40 0 EEABRN CC(C)c1noc(CCNC(=O)NC[C@@](C)(O)c2ccsc2)n1 ZINC000077568020 463006155 /nfs/dbraw/zinc/00/61/55/463006155.db2.gz NJSYHQSDTPSTDV-OAHLLOKOSA-N 0 0 338.433 2.004 40 0 EEABRN CC(C)c1noc(CCNC(=O)NC[C@](C)(O)c2ccsc2)n1 ZINC000077568019 463006186 /nfs/dbraw/zinc/00/61/86/463006186.db2.gz NJSYHQSDTPSTDV-HNNXBMFYSA-N 0 0 338.433 2.004 40 0 EEABRN O=C(CCCn1cncn1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000077638715 463015777 /nfs/dbraw/zinc/01/57/77/463015777.db2.gz OGSBMDOMSRGBKX-GFCCVEGCSA-N 0 0 343.214 2.215 40 0 EEABRN Cn1nc(C(=O)NCC2(c3cccc(F)c3)CCCC2)ccc1=O ZINC000019288511 463016642 /nfs/dbraw/zinc/01/66/42/463016642.db2.gz QCZBEXLVCFLTAV-UHFFFAOYSA-N 0 0 329.375 2.161 40 0 EEABRN CN1CC2(CCC(C(=O)NC3CC3)CC2)Oc2ccccc2C1=O ZINC000019587819 463019426 /nfs/dbraw/zinc/01/94/26/463019426.db2.gz HKNSZHBKTTWLML-UHFFFAOYSA-N 0 0 328.412 2.359 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019687776 463019818 /nfs/dbraw/zinc/01/98/18/463019818.db2.gz BKOVNDMAIQVGNQ-GOSISDBHSA-N 0 0 347.378 2.147 40 0 EEABRN CC[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000156725877 463060665 /nfs/dbraw/zinc/06/06/65/463060665.db2.gz AKHSYAABKZMBJD-WFASDCNBSA-N 0 0 340.217 2.237 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1 ZINC000052410399 463077409 /nfs/dbraw/zinc/07/74/09/463077409.db2.gz ATVYYGFTSOMHIQ-ZDUSSCGKSA-N 0 0 332.425 2.129 40 0 EEABRN Cc1ccccc1OC[C@@H](O)Cn1nc(C(F)(F)F)ccc1=O ZINC000095437117 463084103 /nfs/dbraw/zinc/08/41/03/463084103.db2.gz GDRJNBOUAAVTCD-NSHDSACASA-N 0 0 328.290 2.010 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000135020246 463108215 /nfs/dbraw/zinc/10/82/15/463108215.db2.gz YMANFOIBWISWOY-CZUORRHYSA-N 0 0 340.851 2.454 40 0 EEABRN CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)nn1CC)C2 ZINC000096039480 463143797 /nfs/dbraw/zinc/14/37/97/463143797.db2.gz RNDVICGVEPOIRF-AEFFLSMTSA-N 0 0 335.448 2.259 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096042308 463147734 /nfs/dbraw/zinc/14/77/34/463147734.db2.gz VPEZNKFEDLXTDS-CWRNSKLLSA-N 0 0 345.374 2.010 40 0 EEABRN COC[C@H]1CN(C(=O)Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096045595 463150351 /nfs/dbraw/zinc/15/03/51/463150351.db2.gz YRLMLRWDAAMTRE-CQSZACIVSA-N 0 0 346.456 2.065 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4cccs4)C[C@H]3O2)[nH]1 ZINC000096046219 463150777 /nfs/dbraw/zinc/15/07/77/463150777.db2.gz DQOIDUNPOUDQSJ-IACUBPJLSA-N 0 0 332.429 2.096 40 0 EEABRN COC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2nnn(CC3CC3)c21 ZINC000096045610 463150826 /nfs/dbraw/zinc/15/08/26/463150826.db2.gz WWJZDHXUTWIBND-ZFWWWQNUSA-N 0 0 330.432 2.117 40 0 EEABRN O=C(c1ccsc1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048374 463152310 /nfs/dbraw/zinc/15/23/10/463152310.db2.gz SJZMVELGZCFRIL-PBHICJAKSA-N 0 0 344.440 2.414 40 0 EEABRN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(c1ncccn1)C2 ZINC000096050631 463155422 /nfs/dbraw/zinc/15/54/22/463155422.db2.gz HMXOUYSQCCQNDC-GOSISDBHSA-N 0 0 326.375 2.245 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)N2CCCC2)cs1 ZINC000096056595 463158771 /nfs/dbraw/zinc/15/87/71/463158771.db2.gz PUQGIZAMZPMFSP-HUUCEWRRSA-N 0 0 348.472 2.233 40 0 EEABRN COCc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000026547270 463166911 /nfs/dbraw/zinc/16/69/11/463166911.db2.gz YNWGPYWLDXWJTM-UHFFFAOYSA-N 0 0 335.381 2.405 40 0 EEABRN CCN(CC)C(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O ZINC000096100854 463172769 /nfs/dbraw/zinc/17/27/69/463172769.db2.gz AQWGUHZOYVMZDU-UHFFFAOYSA-N 0 0 349.818 2.441 40 0 EEABRN O=C(c1ccnnc1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096109341 463178298 /nfs/dbraw/zinc/17/82/98/463178298.db2.gz XNTZBFWEQDIMLH-APWZRJJASA-N 0 0 338.411 2.331 40 0 EEABRN Fc1cnccc1CN1C[C@@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 ZINC000096112161 463179476 /nfs/dbraw/zinc/17/94/76/463179476.db2.gz SIQYJMQLFHFJJO-HIFRSBDPSA-N 0 0 345.353 2.231 40 0 biogenic,in-vitro EEABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000079042362 463182844 /nfs/dbraw/zinc/18/28/44/463182844.db2.gz RPZKLBQRFCSSMJ-NEPJUHHUSA-N 0 0 347.864 2.389 40 0 EEABRN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C)c2ccccc2C1 ZINC000068857938 463183710 /nfs/dbraw/zinc/18/37/10/463183710.db2.gz OEODGFSVWQKFGA-QGZVFWFLSA-N 0 0 329.444 2.256 40 0 EEABRN O=C(c1ccsc1)N1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159481 463190915 /nfs/dbraw/zinc/19/09/15/463190915.db2.gz DKAPRNOOGKKCBE-SFHVURJKSA-N 0 0 341.436 2.408 40 0 EEABRN Cc1cnc(N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)nc1 ZINC000096185977 463197821 /nfs/dbraw/zinc/19/78/21/463197821.db2.gz OICZDPOVURMQII-ZACQAIPSSA-N 0 0 328.416 2.246 40 0 EEABRN O=C(c1ccsc1)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199467 463204291 /nfs/dbraw/zinc/20/42/91/463204291.db2.gz OQMBALQEQLFRFR-HNNXBMFYSA-N 0 0 341.436 2.422 40 0 EEABRN NC(=O)[C@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000079310167 463204929 /nfs/dbraw/zinc/20/49/29/463204929.db2.gz HCZVLXJQIRRNIH-HNNXBMFYSA-N 0 0 342.370 2.352 40 0 EEABRN Cc1cnc(N2CCC3(CN(C(=O)NCc4ccccc4)C3)C2)nc1 ZINC000096202772 463208614 /nfs/dbraw/zinc/20/86/14/463208614.db2.gz TZUPCIOTEVNJTP-UHFFFAOYSA-N 0 0 337.427 2.207 40 0 EEABRN Cc1cc(C(=O)N2Cc3cncn3C[C@H](COCC3CCC3)C2)on1 ZINC000096207861 463210335 /nfs/dbraw/zinc/21/03/35/463210335.db2.gz ICSHIXXUQIOWTA-OAHLLOKOSA-N 0 0 344.415 2.268 40 0 EEABRN Cc1csc(C[C@@H]2OC[C@H]3CN(c4ncc(F)cn4)CC[C@H]32)n1 ZINC000096209776 463213203 /nfs/dbraw/zinc/21/32/03/463213203.db2.gz LXJLTWRCGGQMOB-BNOWGMLFSA-N 0 0 334.420 2.465 40 0 EEABRN Cc1cc(CN2C[C@@H]3COC[C@]3(COCc3cccc(C)n3)C2)no1 ZINC000096209492 463213369 /nfs/dbraw/zinc/21/33/69/463213369.db2.gz GKMAVLPOFGMKRI-APWZRJJASA-N 0 0 343.427 2.352 40 0 EEABRN O=C(C[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)Nc1cccnc1 ZINC000096216861 463215504 /nfs/dbraw/zinc/21/55/04/463215504.db2.gz KRTXPFPGRYGOHR-NWANDNLSSA-N 0 0 344.440 2.014 40 0 EEABRN CC(C)NC(=O)N1CCC[C@@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 ZINC000096223522 463218996 /nfs/dbraw/zinc/21/89/96/463218996.db2.gz GJYNGZYRXKXTFY-PKOBYXMFSA-N 0 0 346.475 2.255 40 0 EEABRN Cc1ccc(CN2CC[C@@]3(CC(C(=O)NCc4ccco4)=NO3)C2)o1 ZINC000096225841 463220318 /nfs/dbraw/zinc/22/03/18/463220318.db2.gz INUFPEAHKKJNSB-GOSISDBHSA-N 0 0 343.383 2.218 40 0 EEABRN CC(C)CC(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 ZINC000096227440 463221911 /nfs/dbraw/zinc/22/19/11/463221911.db2.gz GSSATVGBFKEMEV-APWZRJJASA-N 0 0 329.444 2.325 40 0 EEABRN CCOC[C@@H]1C[C@]2(CO1)COCCN2C(=O)c1sccc1C ZINC000096240717 463225539 /nfs/dbraw/zinc/22/55/39/463225539.db2.gz DBSANQQIPVWONE-XJKSGUPXSA-N 0 0 325.430 2.093 40 0 EEABRN O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000096403624 463238339 /nfs/dbraw/zinc/23/83/39/463238339.db2.gz WQDATCPIYWWFMB-CQSZACIVSA-N 0 0 348.468 2.090 40 0 EEABRN C[C@@H](NC(=O)C1CCC1)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407891 463241940 /nfs/dbraw/zinc/24/19/40/463241940.db2.gz XBXZCOWAYIXJRH-DYVFJYSZSA-N 0 0 346.471 2.439 40 0 EEABRN CCc1ccc([C@H]2COCCN2Cc2cc(=O)n3ccccc3n2)o1 ZINC000096413015 463245344 /nfs/dbraw/zinc/24/53/44/463245344.db2.gz YFJRPKFTTSXVPD-MRXNPFEDSA-N 0 0 339.395 2.423 40 0 EEABRN COc1ccccc1C1(CNC(=O)NCC[C@@H](O)C(F)(F)F)CC1 ZINC000096413307 463245727 /nfs/dbraw/zinc/24/57/27/463245727.db2.gz BDTKCJUFMXJFNZ-CYBMUJFWSA-N 0 0 346.349 2.339 40 0 EEABRN Cn1cc(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cn1 ZINC000096413660 463246397 /nfs/dbraw/zinc/24/63/97/463246397.db2.gz XEXSQBHQGGFVJL-LRDDRELGSA-N 0 0 347.802 2.450 40 0 EEABRN CSC[C@@](C)(O)CNC(=O)c1ccc(Br)cc1F ZINC000096414644 463246904 /nfs/dbraw/zinc/24/69/04/463246904.db2.gz OADZIULIZJKGRR-LBPRGKRZSA-N 0 0 336.226 2.432 40 0 EEABRN CN1C[C@H](NC(=O)NCc2ccc(F)cc2C(F)(F)F)CCC1=O ZINC000096415227 463247803 /nfs/dbraw/zinc/24/78/03/463247803.db2.gz OGFUBUKSDJXDEL-LLVKDONJSA-N 0 0 347.312 2.265 40 0 EEABRN Cc1cc(NC(=O)N(C)CCN2CCN(c3ccccc3)CC2)on1 ZINC000096415138 463248060 /nfs/dbraw/zinc/24/80/60/463248060.db2.gz GACQNYIWQCDXMG-UHFFFAOYSA-N 0 0 343.431 2.269 40 0 EEABRN CN1C[C@@H](NC(=O)Nc2cc(F)cc(N3CCCC3)c2)CCC1=O ZINC000096415867 463248380 /nfs/dbraw/zinc/24/83/80/463248380.db2.gz KXYXCMZIRHRXOI-ZDUSSCGKSA-N 0 0 334.395 2.168 40 0 EEABRN Cc1ccc(C[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000096415592 463248452 /nfs/dbraw/zinc/24/84/52/463248452.db2.gz CSWFUIVDQROITG-CYBMUJFWSA-N 0 0 345.472 2.309 40 0 EEABRN C[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000096417857 463250537 /nfs/dbraw/zinc/25/05/37/463250537.db2.gz SZFUGRUFQYEPMI-GFCCVEGCSA-N 0 0 344.502 2.004 40 0 EEABRN Cc1ncsc1CN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420531 463252110 /nfs/dbraw/zinc/25/21/10/463252110.db2.gz VOQJFZMTAVZOHO-INIZCTEOSA-N 0 0 345.468 2.311 40 0 EEABRN Cc1cccc(C)c1NCC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000096426483 463255567 /nfs/dbraw/zinc/25/55/67/463255567.db2.gz ASCQZLCCKOKKRU-MRXNPFEDSA-N 0 0 329.444 2.329 40 0 EEABRN O=C(CN1CCCCC1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000096431381 463259827 /nfs/dbraw/zinc/25/98/27/463259827.db2.gz VILFHNTXSGCTQI-UHFFFAOYSA-N 0 0 333.819 2.493 40 0 EEABRN C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096432919 463261107 /nfs/dbraw/zinc/26/11/07/463261107.db2.gz XPPIKJACBNOBQX-QMMMGPOBSA-N 0 0 345.746 2.377 40 0 EEABRN Cc1cccc(CCC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000096432213 463261394 /nfs/dbraw/zinc/26/13/94/463261394.db2.gz IKHXQFNAOAMODB-OAHLLOKOSA-N 0 0 347.440 2.122 40 0 EEABRN CCn1nc(C)c(CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1C ZINC000096446782 463270946 /nfs/dbraw/zinc/27/09/46/463270946.db2.gz QNHHQFCVIZIDNR-UHFFFAOYSA-N 0 0 345.447 2.139 40 0 EEABRN Cn1ccc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)n1 ZINC000096452206 463272901 /nfs/dbraw/zinc/27/29/01/463272901.db2.gz XTLAPOFENUWZAG-UHFFFAOYSA-N 0 0 333.358 2.206 40 0 EEABRN CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000096456069 463275516 /nfs/dbraw/zinc/27/55/16/463275516.db2.gz CSLUQUYJNKVPJJ-HZPDHXFCSA-N 0 0 345.472 2.385 40 0 EEABRN O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N1CCC[C@@H](O)C1 ZINC000096459762 463277050 /nfs/dbraw/zinc/27/70/50/463277050.db2.gz HSRBPLQTVKXCMB-CVEARBPZSA-N 0 0 348.834 2.292 40 0 EEABRN CC(C)C[C@@H]1CCCN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C1 ZINC000096468421 463277822 /nfs/dbraw/zinc/27/78/22/463277822.db2.gz JXHWYOZZDYSQFT-DOTOQJQBSA-N 0 0 335.496 2.491 40 0 EEABRN CC[C@@](O)(CNC(=O)c1ccn[nH]1)c1ccc(Br)cc1 ZINC000096473710 463278632 /nfs/dbraw/zinc/27/86/32/463278632.db2.gz PTBYOTVHXSPDEP-CQSZACIVSA-N 0 0 338.205 2.200 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCc2ccccc21 ZINC000096473354 463278916 /nfs/dbraw/zinc/27/89/16/463278916.db2.gz UHYBMKNIGUMEHK-GJZGRUSLSA-N 0 0 341.415 2.246 40 0 EEABRN CC[C@H](NC(=O)c1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473750 463279126 /nfs/dbraw/zinc/27/91/26/463279126.db2.gz QPHFFTPNXJWKDF-RDJZCZTQSA-N 0 0 329.400 2.084 40 0 EEABRN O=C(c1cccs1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000096470706 463279209 /nfs/dbraw/zinc/27/92/09/463279209.db2.gz DFQOHCUEZXUYBO-HOTGVXAUSA-N 0 0 328.437 2.474 40 0 EEABRN COc1ccc(-c2nnn(CCc3scnc3C)n2)cc1OC ZINC000096482504 463280900 /nfs/dbraw/zinc/28/09/00/463280900.db2.gz UNBRNWQOXCYMMH-UHFFFAOYSA-N 0 0 331.401 2.365 40 0 EEABRN CN(C)C(=O)N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000096489724 463287110 /nfs/dbraw/zinc/28/71/10/463287110.db2.gz GVNIGIUGDNYMQV-UHFFFAOYSA-N 0 0 331.395 2.015 40 0 EEABRN C[C@@H](c1cnn(C)c1)N(C)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000096495723 463289219 /nfs/dbraw/zinc/28/92/19/463289219.db2.gz LSAPKHZZJHRXSA-LBPRGKRZSA-N 0 0 339.399 2.164 40 0 EEABRN C[C@@](O)(CNC(=O)NC[C@]1(C)CCCO1)c1ccccc1Cl ZINC000096503175 463292459 /nfs/dbraw/zinc/29/24/59/463292459.db2.gz FRIAGHRSTLPLOG-JKSUJKDBSA-N 0 0 326.824 2.416 40 0 EEABRN COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C ZINC000030319017 463295409 /nfs/dbraw/zinc/29/54/09/463295409.db2.gz OQLUHPJFQWCGGA-ZDUSSCGKSA-N 0 0 349.408 2.122 40 0 EEABRN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096783017 463299718 /nfs/dbraw/zinc/29/97/18/463299718.db2.gz RAEDLXAFCFCRFX-HOTGVXAUSA-N 0 0 332.400 2.083 40 0 EEABRN NC(=O)c1ccccc1OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000096989946 463301909 /nfs/dbraw/zinc/30/19/09/463301909.db2.gz CSSRIGYUZLUMRY-UHFFFAOYSA-N 0 0 341.335 2.361 40 0 EEABRN Cc1ccc(CN(C)C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000138553886 463310742 /nfs/dbraw/zinc/31/07/42/463310742.db2.gz DRFZGYJAQSCOID-CALCHBBNSA-N 0 0 340.423 2.295 40 0 EEABRN CCN1CCN(c2ccc(C(=O)OC3CCOCC3)cc2F)CC1 ZINC000097231584 463351177 /nfs/dbraw/zinc/35/11/77/463351177.db2.gz OWTSLNCFXSGSID-UHFFFAOYSA-N 0 0 336.407 2.303 40 0 EEABRN CCc1cc(C(=O)O[C@@H](C)c2ccc(-n3cncn3)cc2)cc(=O)[nH]1 ZINC000097374862 463356368 /nfs/dbraw/zinc/35/63/68/463356368.db2.gz BDYQIDJKQLOLJR-LBPRGKRZSA-N 0 0 338.367 2.436 40 0 EEABRN Cc1ccnn1CC(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000071195798 463411491 /nfs/dbraw/zinc/41/14/91/463411491.db2.gz SUDLZZWGNGKGTO-INIZCTEOSA-N 0 0 348.410 2.237 40 0 EEABRN COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000036309679 463436170 /nfs/dbraw/zinc/43/61/70/463436170.db2.gz IMCQIDBBLQWGOJ-UHFFFAOYSA-N 0 0 348.424 2.254 40 0 EEABRN CCCCNC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000124809099 463466381 /nfs/dbraw/zinc/46/63/81/463466381.db2.gz BAFXTGWBWHEKLD-UHFFFAOYSA-N 0 0 348.443 2.472 40 0 EEABRN Cc1nn(C)c2cnn(CCCNC(=O)[C@H]3C[C@@H]3c3ccccc3)c12 ZINC000057279071 463474034 /nfs/dbraw/zinc/47/40/34/463474034.db2.gz UJHMQNSMTRXPRK-CVEARBPZSA-N 0 0 337.427 2.388 40 0 EEABRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000081634132 463474415 /nfs/dbraw/zinc/47/44/15/463474415.db2.gz IUHXWMPUXCDALP-LLVKDONJSA-N 0 0 349.822 2.372 40 0 EEABRN COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000072222603 463484425 /nfs/dbraw/zinc/48/44/25/463484425.db2.gz SCHZPSMWVHNTIB-UHFFFAOYSA-N 0 0 335.404 2.234 40 0 EEABRN CN(C)c1nc(N)nc(CN(C)[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000083171148 463537174 /nfs/dbraw/zinc/53/71/74/463537174.db2.gz IALWRWVGRXWTAM-KRWDZBQOSA-N 0 0 349.442 2.136 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)C[C@H](C)O1 ZINC000083669018 463553484 /nfs/dbraw/zinc/55/34/84/463553484.db2.gz PSWJOYMCCDLMRG-IYBDPMFKSA-N 0 0 342.443 2.445 40 0 EEABRN Fc1cnc(N2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)nc1 ZINC000107194521 463561875 /nfs/dbraw/zinc/56/18/75/463561875.db2.gz NGPUPXWAYGWHKL-KBXCAEBGSA-N 0 0 344.390 2.465 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000107772917 463582569 /nfs/dbraw/zinc/58/25/69/463582569.db2.gz PKKWFROPYGJNRV-ZIAGYGMSSA-N 0 0 326.462 2.373 40 0 EEABRN CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)ccn1 ZINC000257284721 463761258 /nfs/dbraw/zinc/76/12/58/463761258.db2.gz PDZGQTFGTHJYLB-AWEZNQCLSA-N 0 0 333.823 2.361 40 0 EEABRN Nc1cnc(C[C@@H]2CCCN(C(=O)CC3CCOCC3)CC2)cn1 ZINC000257286390 463762674 /nfs/dbraw/zinc/76/26/74/463762674.db2.gz PLKQTONQRUYFDL-CQSZACIVSA-N 0 0 332.448 2.047 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4cnccn4)C3)cc2n1 ZINC000257286375 463762722 /nfs/dbraw/zinc/76/27/22/463762722.db2.gz PLIGBMFJZBOQDX-CQSZACIVSA-N 0 0 336.399 2.156 40 0 EEABRN C[C@]1(c2ncc(CNC(=O)Cc3cccnc3)cn2)CCCCO1 ZINC000257292963 463765582 /nfs/dbraw/zinc/76/55/82/463765582.db2.gz QNPGLFKPTBTPOT-GOSISDBHSA-N 0 0 326.400 2.146 40 0 EEABRN O=C(CCn1nnc2ccccc21)N1CCC(c2cnccn2)CC1 ZINC000257295277 463766319 /nfs/dbraw/zinc/76/63/19/463766319.db2.gz QXRCLWACPANJKP-UHFFFAOYSA-N 0 0 336.399 2.018 40 0 EEABRN O=C(CCc1cc(Cl)no1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257295029 463766432 /nfs/dbraw/zinc/76/64/32/463766432.db2.gz QWQOMOSYRXPPHQ-GFCCVEGCSA-N 0 0 334.807 2.441 40 0 EEABRN CN(C)Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000257297051 463767338 /nfs/dbraw/zinc/76/73/38/463767338.db2.gz RFOWWMIHCHOXTC-LLVKDONJSA-N 0 0 334.370 2.379 40 0 EEABRN Cc1ccc(C[C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)cn1 ZINC000257299626 463768260 /nfs/dbraw/zinc/76/82/60/463768260.db2.gz RQVHIEPZHMLRGM-MRXNPFEDSA-N 0 0 327.432 2.198 40 0 EEABRN CCN(C)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1cccc(OC)c1 ZINC000257299377 463769173 /nfs/dbraw/zinc/76/91/73/463769173.db2.gz RPUDIJQWTJKCPK-AEFFLSMTSA-N 0 0 348.443 2.100 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@@H](c2cnccn2)C1 ZINC000257305231 463770335 /nfs/dbraw/zinc/77/03/35/463770335.db2.gz SOZZHQCXQWUWBY-CYBMUJFWSA-N 0 0 325.368 2.268 40 0 EEABRN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000257317545 463775633 /nfs/dbraw/zinc/77/56/33/463775633.db2.gz VKESMQYRPDDEAS-AWEZNQCLSA-N 0 0 337.383 2.322 40 0 EEABRN Cc1csc(-c2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)n1 ZINC000257335306 463782875 /nfs/dbraw/zinc/78/28/75/463782875.db2.gz YJPBRURLHGOGCB-CYBMUJFWSA-N 0 0 338.458 2.313 40 0 EEABRN COCC1=CCN(C(=O)C2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000185380014 463811696 /nfs/dbraw/zinc/81/16/96/463811696.db2.gz ZSISNIGQASOHBA-UHFFFAOYSA-N 0 0 329.444 2.412 40 0 EEABRN CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@@H](C)[S@@]1=O ZINC000287360659 463879054 /nfs/dbraw/zinc/87/90/54/463879054.db2.gz NSYCJTBOOFEYGD-JCRSYGSLSA-N 0 0 333.409 2.165 40 0 EEABRN CN(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1cnn(C)c1 ZINC000194974903 463969526 /nfs/dbraw/zinc/96/95/26/463969526.db2.gz AJKOEPCQAQEUBS-GVDBMIGSSA-N 0 0 345.422 2.017 40 0 EEABRN Cn1ccc(N2CCC[C@@H](Sc3nc(C4CC4)cc(=O)[nH]3)C2=O)n1 ZINC000195081190 463987578 /nfs/dbraw/zinc/98/75/78/463987578.db2.gz NUUVMHZCIOHKAC-GFCCVEGCSA-N 0 0 345.428 2.081 40 0 EEABRN O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1ccc(Cl)cc1 ZINC000195530657 464071661 /nfs/dbraw/zinc/07/16/61/464071661.db2.gz VPPCZWGEGWIEJJ-HZPDHXFCSA-N 0 0 345.834 2.374 40 0 EEABRN Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000195549950 464074628 /nfs/dbraw/zinc/07/46/28/464074628.db2.gz RATBYOOCYOBFMW-MRVPVSSYSA-N 0 0 335.326 2.451 40 0 EEABRN COc1cccc(NC(=O)NCc2nccc(N3CCCC3)n2)c1 ZINC000224152540 464148687 /nfs/dbraw/zinc/14/86/87/464148687.db2.gz ACGJCTODWYNYRT-UHFFFAOYSA-N 0 0 327.388 2.407 40 0 EEABRN CCc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1 ZINC000224219512 464150108 /nfs/dbraw/zinc/15/01/08/464150108.db2.gz HCUVFYMTFASCKD-UHFFFAOYSA-N 0 0 341.415 2.197 40 0 EEABRN CCC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC ZINC000225469405 464162650 /nfs/dbraw/zinc/16/26/50/464162650.db2.gz ZSDSNDMUHJZLGH-JTQLQIEISA-N 0 0 327.222 2.322 40 0 EEABRN Cc1nc2c([nH]1)C[C@H](C(=O)NCc1ccc(N3CCCC3)nc1)CC2 ZINC000225520494 464168018 /nfs/dbraw/zinc/16/80/18/464168018.db2.gz YUVQPNJQAXRADG-OAHLLOKOSA-N 0 0 339.443 2.135 40 0 EEABRN Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O ZINC000225548178 464171114 /nfs/dbraw/zinc/17/11/14/464171114.db2.gz PSJMQQWUIHQQBT-UHFFFAOYSA-N 0 0 340.427 2.060 40 0 EEABRN CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225601389 464174852 /nfs/dbraw/zinc/17/48/52/464174852.db2.gz BNYMPOXMBDZHHI-GOSISDBHSA-N 0 0 334.416 2.441 40 0 EEABRN CCc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1 ZINC000243956354 464459701 /nfs/dbraw/zinc/45/97/01/464459701.db2.gz RZJHLJQVMWDNGF-UHFFFAOYSA-N 0 0 346.452 2.331 40 0 EEABRN CN(CC1CC1)S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000245343813 464471465 /nfs/dbraw/zinc/47/14/65/464471465.db2.gz VUKGXGBYQDCWHH-HNNXBMFYSA-N 0 0 334.445 2.286 40 0 EEABRN O=C([C@H]1CSCCS1)N1Cc2cnnn2Cc2ccccc21 ZINC000189303641 464471796 /nfs/dbraw/zinc/47/17/96/464471796.db2.gz ZIQYYHCIXRLPIH-CQSZACIVSA-N 0 0 332.454 2.022 40 0 EEABRN Cc1csc(CN2CC3(C2)C[C@H](Oc2ncccn2)CCO3)n1 ZINC000247962051 464717489 /nfs/dbraw/zinc/71/74/89/464717489.db2.gz OZGMDLKEJNAOMU-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N(C)C)CS2 ZINC000247992400 464721067 /nfs/dbraw/zinc/72/10/67/464721067.db2.gz LSPPGQCNFHAHNS-CYBMUJFWSA-N 0 0 340.514 2.221 40 0 EEABRN COCCSCc1cccc(NC(=O)[C@@H]2CCc3n[nH]nc3C2)c1 ZINC000252480056 464960080 /nfs/dbraw/zinc/96/00/80/464960080.db2.gz BTHFSDQTLFXPOT-CYBMUJFWSA-N 0 0 346.456 2.428 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)C1 ZINC000252506477 464973663 /nfs/dbraw/zinc/97/36/63/464973663.db2.gz TVUBSERXZZKWLQ-OBQMCUGOSA-N 0 0 348.418 2.229 40 0 EEABRN Cc1cc(=O)n2nc(CSCCC(=O)OC(C)(C)C)sc2n1 ZINC000252510216 464975303 /nfs/dbraw/zinc/97/53/03/464975303.db2.gz ZEQHSIJUXIRRMS-UHFFFAOYSA-N 0 0 341.458 2.424 40 0 EEABRN COC(=O)[C@@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(C)c1 ZINC000192787153 464997208 /nfs/dbraw/zinc/99/72/08/464997208.db2.gz DDPDUBQXCJAJIZ-HOTGVXAUSA-N 0 0 336.407 2.337 40 0 EEABRN O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(Br)o1 ZINC000253397757 465000677 /nfs/dbraw/zinc/00/06/77/465000677.db2.gz FZAMDSUMAVHASM-FXPVBKGRSA-N 0 0 330.178 2.108 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000253416158 465004724 /nfs/dbraw/zinc/00/47/24/465004724.db2.gz DMSYOCBCEIBFNQ-CYBMUJFWSA-N 0 0 348.790 2.315 40 0 EEABRN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000253417672 465006365 /nfs/dbraw/zinc/00/63/65/465006365.db2.gz FSOOPDQLOSRSCO-CVEARBPZSA-N 0 0 339.480 2.090 40 0 EEABRN O=S(=O)(c1cccc(F)c1)N1CC[C@H](OCc2ccncc2)C1 ZINC000253426665 465011213 /nfs/dbraw/zinc/01/12/13/465011213.db2.gz ICTLHFRRQNQGKF-HNNXBMFYSA-N 0 0 336.388 2.201 40 0 EEABRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccnnc2)sc1C ZINC000253429499 465012494 /nfs/dbraw/zinc/01/24/94/465012494.db2.gz SNJXYBJVSZDIOH-NSHDSACASA-N 0 0 332.385 2.005 40 0 EEABRN CCc1nsc(N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 ZINC000253431846 465014364 /nfs/dbraw/zinc/01/43/64/465014364.db2.gz IIQZYXIPBKCMGM-ZDUSSCGKSA-N 0 0 348.428 2.335 40 0 EEABRN O=C1NC[C@H](c2ccccc2)[C@]12C[N@H+](CCc1ccccc1)CCO2 ZINC000306124589 466487172 /nfs/dbraw/zinc/48/71/72/466487172.db2.gz BTYRMUMXDRSQDW-TZIWHRDSSA-N 0 0 336.435 2.214 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CC2)c1 ZINC000306129619 466489222 /nfs/dbraw/zinc/48/92/22/466489222.db2.gz IIGFGCQYAQVJQZ-QGZVFWFLSA-N 0 0 330.428 2.438 40 0 EEABRN O=C1NC[C@@]2(F)CN(Cc3cccc(-c4ccc(F)cc4)n3)C[C@@]12F ZINC000306128002 466489877 /nfs/dbraw/zinc/48/98/77/466489877.db2.gz GNOSKHXBYPTNBI-QZTJIDSGSA-N 0 0 347.340 2.250 40 0 EEABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ncccn2)n1C ZINC000409164155 466685685 /nfs/dbraw/zinc/68/56/85/466685685.db2.gz DDERJUXMHREHQN-UHFFFAOYSA-N 0 0 340.412 2.311 40 0 EEABRN CSCc1cc(F)ccc1CNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000390835571 467415094 /nfs/dbraw/zinc/41/50/94/467415094.db2.gz QZFFUJXAYJREMI-HZMBPMFUSA-N 0 0 339.436 2.013 40 0 EEABRN Cc1noc(C)c1CN1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514289759 467941687 /nfs/dbraw/zinc/94/16/87/467941687.db2.gz OBGXSXBNJXWEEZ-WBVHZDCISA-N 0 0 327.384 2.009 40 0 biogenic,in-vitro EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)C4CC(F)C4)C3)C2)c1 ZINC000575403943 468141526 /nfs/dbraw/zinc/14/15/26/468141526.db2.gz LITJVOLODAZXNE-OFLPRAFFSA-N 0 0 348.418 2.415 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 ZINC000575405441 468141541 /nfs/dbraw/zinc/14/15/41/468141541.db2.gz HZLHNIQXRDYIGQ-YUELXQCFSA-N 0 0 329.375 2.468 40 0 EEABRN Cn1ccc2ccn(CCNC(=O)c3ccc(Cl)s3)c(=O)c21 ZINC000575414596 468143774 /nfs/dbraw/zinc/14/37/74/468143774.db2.gz CFSYQZVKPCRCGN-UHFFFAOYSA-N 0 0 335.816 2.485 40 0 EEABRN O=C(CC1CC1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 ZINC000585097294 468965252 /nfs/dbraw/zinc/96/52/52/468965252.db2.gz JUTLWABIBAFJNK-AWEZNQCLSA-N 0 0 338.402 2.125 40 0 EEABRN CC(C)C(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C ZINC000585097713 468965876 /nfs/dbraw/zinc/96/58/76/468965876.db2.gz NDGGJEXVCRUPEL-ZDUSSCGKSA-N 0 0 332.448 2.044 40 0 EEABRN O=C(C[C@H]1Cn2cccc2CN(Cc2ccco2)C1)N1CCCO1 ZINC000585099260 468967531 /nfs/dbraw/zinc/96/75/31/468967531.db2.gz ZFDUTJFLSTWPKX-OAHLLOKOSA-N 0 0 329.400 2.267 40 0 EEABRN O=C(N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1)C1(F)CCC1 ZINC000585100957 468968569 /nfs/dbraw/zinc/96/85/69/468968569.db2.gz KZEVVTNSKUCRFM-QGZVFWFLSA-N 0 0 331.391 2.319 40 0 EEABRN O=C(c1cccs1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000585103435 468971059 /nfs/dbraw/zinc/97/10/59/468971059.db2.gz WGCNCPPYNUDZCB-KDOFPFPSSA-N 0 0 348.468 2.239 40 0 EEABRN Cc1cccc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)n1 ZINC000585112139 468975353 /nfs/dbraw/zinc/97/53/53/468975353.db2.gz IVGPLDZNSZELJS-SFHVURJKSA-N 0 0 339.443 2.156 40 0 EEABRN Cc1noc([C@H]2CCC3(CCN(C(=O)c4nnsc4C)CC3)O2)n1 ZINC000585113413 468976270 /nfs/dbraw/zinc/97/62/70/468976270.db2.gz CEDYWLSJPIUKGR-LLVKDONJSA-N 0 0 349.416 2.064 40 0 EEABRN CO[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C[C@H]1Cc1ccccc1 ZINC000585113423 468976601 /nfs/dbraw/zinc/97/66/01/468976601.db2.gz DYOYPZFOFCELFC-SJLPKXTDSA-N 0 0 327.428 2.069 40 0 EEABRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CSC3)C2)c1 ZINC000585140684 468989274 /nfs/dbraw/zinc/98/92/74/468989274.db2.gz ITKDIPHTKIYXEE-CQSZACIVSA-N 0 0 332.469 2.387 40 0 EEABRN CCC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1 ZINC000585261124 468994978 /nfs/dbraw/zinc/99/49/78/468994978.db2.gz CWDBGDWNMBYBNR-AWEZNQCLSA-N 0 0 327.432 2.377 40 0 EEABRN COc1ccc2[nH]cc(C(=O)N3CCO[C@@H](c4cnccn4)C3)c2c1 ZINC000585180728 468996288 /nfs/dbraw/zinc/99/62/88/468996288.db2.gz TZGZOMOPGJEVOG-QGZVFWFLSA-N 0 0 338.367 2.180 40 0 EEABRN O=C(c1ccc(F)cc1)N1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585269564 468997661 /nfs/dbraw/zinc/99/76/61/468997661.db2.gz ZENSKZXXBJFIRP-LJQANCHMSA-N 0 0 345.370 2.108 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc(C)cc3)on2)[C@H]1O ZINC000585269112 468997873 /nfs/dbraw/zinc/99/78/73/468997873.db2.gz ITXALTIXAJDVQD-BFYDXBDKSA-N 0 0 330.384 2.260 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1Cc1ccc(F)cc1 ZINC000585269505 468997977 /nfs/dbraw/zinc/99/79/77/468997977.db2.gz XLJXEXXXFFQORP-IRXDYDNUSA-N 0 0 331.391 2.422 40 0 EEABRN Cc1ccccc1OC[C@@]1(O)COCCN(Cc2ccncc2)C1 ZINC000585277345 469001580 /nfs/dbraw/zinc/00/15/80/469001580.db2.gz VABRUQYCHOQZTC-IBGZPJMESA-N 0 0 328.412 2.032 40 0 EEABRN O=C(CCCn1ccnc1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585276666 469002385 /nfs/dbraw/zinc/00/23/85/469002385.db2.gz OQSWOAUWPNJQBO-AEFFLSMTSA-N 0 0 345.418 2.255 40 0 EEABRN CO[C@H]1CCCN(C(=O)CCc2cccc(F)c2)[C@H]1CCC(N)=O ZINC000585279676 469005968 /nfs/dbraw/zinc/00/59/68/469005968.db2.gz XCJZQIFTFVMRFG-HOTGVXAUSA-N 0 0 336.407 2.030 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585279518 469006033 /nfs/dbraw/zinc/00/60/33/469006033.db2.gz NOJFHZVENZUUMY-SJLPKXTDSA-N 0 0 327.428 2.448 40 0 EEABRN COc1ncc(CN2CC[C@H](Cc3cccc(F)c3)[C@@H](O)C2)cn1 ZINC000585279858 469006103 /nfs/dbraw/zinc/00/61/03/469006103.db2.gz QYTUGXOMMROBJS-WBVHZDCISA-N 0 0 331.391 2.050 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3ccnn3C)[C@H]2O)cc1 ZINC000585286510 469009829 /nfs/dbraw/zinc/00/98/29/469009829.db2.gz ZEJHBDXVNPUSHS-ZTFGCOKTSA-N 0 0 343.427 2.067 40 0 EEABRN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cc(C)[nH]c1C ZINC000585288331 469010118 /nfs/dbraw/zinc/01/01/18/469010118.db2.gz VRCYDLISDUGVFK-HNAYVOBHSA-N 0 0 347.459 2.310 40 0 EEABRN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(N(C)C)n3)C2)nc1 ZINC000607143398 469670277 /nfs/dbraw/zinc/67/02/77/469670277.db2.gz DZFQSDSAUWIRAS-AWEZNQCLSA-N 0 0 340.431 2.101 40 0 EEABRN CCOc1ccccc1CCC(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 ZINC000253394088 521470403 /nfs/dbraw/zinc/47/04/03/521470403.db2.gz ACJVNDQVPLOSRA-NXHRZFHOSA-N 0 0 333.428 2.471 40 0 EEABRN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC000186535848 527894270 /nfs/dbraw/zinc/89/42/70/527894270.db2.gz UYUVIZWILSOICN-JKSUJKDBSA-N 0 0 326.396 2.489 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1C ZINC000408623587 528444466 /nfs/dbraw/zinc/44/44/66/528444466.db2.gz PCXQYTAOEKSDAO-UHFFFAOYSA-N 0 0 347.440 2.008 40 0 EEABRN CCS(=O)(=O)CCN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245339516 535629053 /nfs/dbraw/zinc/62/90/53/535629053.db2.gz UDIXLGGUVPNDDQ-NVXWUHKLSA-N 0 0 325.474 2.500 40 0 EEABRN CN(C)Cc1ccnc([C@@H]2CN(CCc3ccccc3)CCO2)n1 ZINC000257229229 536050111 /nfs/dbraw/zinc/05/01/11/536050111.db2.gz FXGVSKZIPHZWGY-SFHVURJKSA-N 0 0 326.444 2.154 40 0 EEABRN CN(C)C(=O)c1cc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n[nH]1 ZINC000257276189 536098344 /nfs/dbraw/zinc/09/83/44/536098344.db2.gz NSRWFZJCOCXULC-NSHDSACASA-N 0 0 345.378 2.272 40 0 EEABRN Cc1nc(C)c(Br)c(N(C)C[C@H](O)c2cccnc2)n1 ZINC000895937793 684782188 /nfs/dbraw/zinc/78/21/88/684782188.db2.gz WPXABVQHBLLNOI-LBPRGKRZSA-N 0 0 337.221 2.421 40 0 EEABRN CC(=O)N[C@@H](C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000888256794 687352584 /nfs/dbraw/zinc/35/25/84/687352584.db2.gz MZDAMMFYNNPVFD-QMMMGPOBSA-N 0 0 326.809 2.109 40 0 EEABRN Cc1cn2c(nc(CN[C@H](CO)c3ccccc3C)cc2=O)s1 ZINC001119804630 1309212709 /nfs/dbraw/zinc/21/27/09/1309212709.db2.gz OBQTUEGXCSAFFI-OAHLLOKOSA-N 0 0 329.425 2.196 40 0 EEABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1 ZINC000025859285 1352369697 /nfs/dbraw/zinc/36/96/97/1352369697.db2.gz KHERUHSEVLHELN-UHFFFAOYSA-N 0 0 347.758 2.489 40 0 EEABRN COc1cc(Cl)c(O)cc1NC(=O)Cn1nnc2ccccc21 ZINC000032611645 1352382688 /nfs/dbraw/zinc/38/26/88/1352382688.db2.gz ZYXTYLWAMUFFIT-UHFFFAOYSA-N 0 0 332.747 2.438 40 0 EEABRN O=C(NC1CCCC1)c1ccn(Cn2cc(Br)cn2)n1 ZINC000032648289 1352383091 /nfs/dbraw/zinc/38/30/91/1352383091.db2.gz YQCOKXJGAOSBSM-UHFFFAOYSA-N 0 0 338.209 2.020 40 0 EEABRN C[C@@H]1CC=C[C@@H](O)[C@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 ZINC000585660598 792923011 /nfs/dbraw/zinc/92/30/11/792923011.db2.gz NHAQNKDEUQPSIX-KCPJHIHWSA-N 0 0 334.368 2.118 40 0 biogenic,in-vitro EEABRN O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000195530282 303962354 /nfs/dbraw/zinc/96/23/54/303962354.db2.gz XIMFDVDTZZMGRC-BFHYXJOUSA-N 0 0 327.833 2.137 40 0 EEABRN C/C(=C\C(=O)N[C@H]1CCN(C)C1=O)c1cccc(C(F)(F)F)c1 ZINC000098013974 219068738 /nfs/dbraw/zinc/06/87/38/219068738.db2.gz ZUFPCWPFEHLOFY-FROQITRMSA-N 0 0 326.318 2.456 40 0 EEABRN CN(C)c1ccc(-c2c3c(N)nc(N)nc3nc3c2C(=O)CCC3)cc1 ZINC000020673513 282279557 /nfs/dbraw/zinc/27/95/57/282279557.db2.gz ZAFIQORQGAIXID-UHFFFAOYSA-N 0 0 348.410 2.441 40 0 EEABRN COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2ccco2)cc1OC ZINC000004400017 210187617 /nfs/dbraw/zinc/18/76/17/210187617.db2.gz HRHHKIVWGZXQCC-LBPRGKRZSA-N 0 0 347.367 2.201 40 0 EEABRN O=C(NCc1ccccc1Cl)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000101400031 219125839 /nfs/dbraw/zinc/12/58/39/219125839.db2.gz HEGUWKTVNXUIIZ-BETUJISGSA-N 0 0 333.823 2.449 40 0 EEABRN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000003903734 210088688 /nfs/dbraw/zinc/08/86/88/210088688.db2.gz FKNCJQGBTGGTFC-VWPFQQQWSA-N 0 0 333.771 2.190 40 0 EEABRN O=C(CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)Nc1ccccc1 ZINC000040555149 213350137 /nfs/dbraw/zinc/35/01/37/213350137.db2.gz LDBHCJYMYJTJSF-AWEZNQCLSA-N 0 0 341.342 2.006 40 0 EEABRN Cn1ncc2c1nc(N[C@H]1CC[C@H](Nc3ccccn3)CC1)[nH]c2=O ZINC000670880139 539983721 /nfs/dbraw/zinc/98/37/21/539983721.db2.gz RXYPASITBZMLTM-HAQNSBGRSA-N 0 0 339.403 2.299 40 0 EEABRN Cc1ccc2oc(=O)n(CC(=O)NCCc3ccc(F)cc3)c2c1 ZINC000040156681 213275826 /nfs/dbraw/zinc/27/58/26/213275826.db2.gz LCNLRDSGVMGOMB-UHFFFAOYSA-N 0 0 328.343 2.401 40 0 EEABRN CCn1c2ccccc2nc1NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000040073838 213259026 /nfs/dbraw/zinc/25/90/26/213259026.db2.gz KDDXEOYOQGBGIW-ZDUSSCGKSA-N 0 0 326.400 2.253 40 0 EEABRN O=C(OC[C@H]1CCCO1)c1cc(I)ccc1O ZINC000039951619 213243344 /nfs/dbraw/zinc/24/33/44/213243344.db2.gz QKMWNZQJGDWECG-SECBINFHSA-N 0 0 348.136 2.333 40 0 EEABRN CC(=O)N(Cc1cc2ccc(C)cc2n2nnnc12)C[C@@H]1CCCO1 ZINC000001367299 209731585 /nfs/dbraw/zinc/73/15/85/209731585.db2.gz KVWRPJKXDYYDKS-INIZCTEOSA-N 0 0 339.399 2.113 40 0 EEABRN CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccccc1 ZINC000035310890 213020200 /nfs/dbraw/zinc/02/02/00/213020200.db2.gz OMBMFKZGNMRGTF-UHFFFAOYSA-N 0 0 332.429 2.490 40 0 EEABRN CCCc1cc2nnc(SCC(=O)N3CCCCCC3)n2c(N)n1 ZINC000035315349 213020455 /nfs/dbraw/zinc/02/04/55/213020455.db2.gz RQIPCRDLKBUPEQ-UHFFFAOYSA-N 0 0 348.476 2.154 40 0 EEABRN CCOc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 ZINC000000418528 209582026 /nfs/dbraw/zinc/58/20/26/209582026.db2.gz QDHWMWDRFGQFFW-UHFFFAOYSA-N 0 0 329.404 2.188 40 0 EEABRN O[C@@H](COC1CCOCC1)Cn1nnc2cc(Cl)c(Cl)cc21 ZINC000089585304 237022312 /nfs/dbraw/zinc/02/23/12/237022312.db2.gz KRKWXZKCVLWTDU-SECBINFHSA-N 0 0 346.214 2.295 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C)c2)cc1 ZINC000031107465 212723574 /nfs/dbraw/zinc/72/35/74/212723574.db2.gz IGXYKBCKELSHOK-UHFFFAOYSA-N 0 0 346.452 2.240 40 0 EEABRN C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1ccccc1F ZINC000072324408 216151268 /nfs/dbraw/zinc/15/12/68/216151268.db2.gz RTYNXIZLGWFBPC-CYBMUJFWSA-N 0 0 343.402 2.470 40 0 EEABRN NC(=O)CN1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355720 216164780 /nfs/dbraw/zinc/16/47/80/216164780.db2.gz SZNMOWZLADSXKL-INIZCTEOSA-N 0 0 330.819 2.343 40 0 EEABRN Cc1cc(-c2cnc(NCC[S@@](C)=O)nc2-c2ccco2)on1 ZINC000072338434 216157548 /nfs/dbraw/zinc/15/75/48/216157548.db2.gz SQHXGFQPBXWISS-QHCPKHFHSA-N 0 0 332.385 2.490 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072354743 216163955 /nfs/dbraw/zinc/16/39/55/216163955.db2.gz LBWBYFKHBQMWBF-AWEZNQCLSA-N 0 0 330.363 2.175 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CC[C@H](Cc2cccc3ncccc23)C1 ZINC000072367669 216175025 /nfs/dbraw/zinc/17/50/25/216175025.db2.gz KIWCUWZRSCMSGW-CYBMUJFWSA-N 0 0 342.424 2.211 40 0 EEABRN CCc1nccn1-c1cccc(C2CCN(C(=O)COC)CC2)n1 ZINC000072378458 216181235 /nfs/dbraw/zinc/18/12/35/216181235.db2.gz YMPAWFZTLSOOJA-UHFFFAOYSA-N 0 0 328.416 2.182 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380361 216183081 /nfs/dbraw/zinc/18/30/81/216183081.db2.gz UWNTWJSEWFMNPP-OAHLLOKOSA-N 0 0 330.363 2.015 40 0 EEABRN Cc1ccccc1OC1CCN(CC(=O)Nc2ccn(C)n2)CC1 ZINC000072392148 216191319 /nfs/dbraw/zinc/19/13/19/216191319.db2.gz KDHHFICOGCQAHY-UHFFFAOYSA-N 0 0 328.416 2.210 40 0 EEABRN CC(=O)N[C@H](C(=O)N1C[C@H](n2cccn2)Cc2ccccc21)C(C)C ZINC000072527263 216269068 /nfs/dbraw/zinc/26/90/68/216269068.db2.gz WVVJIGWAEVLXHU-AEFFLSMTSA-N 0 0 340.427 2.174 40 0 EEABRN COc1ccnc(NC2CCN(C(=O)c3cc(C)ccc3O)CC2)n1 ZINC000191384015 239079363 /nfs/dbraw/zinc/07/93/63/239079363.db2.gz JAIHKROCMRGXNE-UHFFFAOYSA-N 0 0 342.399 2.216 40 0 EEABRN O=C(CCc1ccncn1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000191894669 239369538 /nfs/dbraw/zinc/36/95/38/239369538.db2.gz GXKZHHQVOUOBEE-UHFFFAOYSA-N 0 0 343.402 2.145 40 0 EEABRN O=C(Nc1ccc(N2CCOCC2)nc1)c1ncoc1-c1ccco1 ZINC000074424951 216486331 /nfs/dbraw/zinc/48/63/31/216486331.db2.gz KIKJOCCKLDZUAF-UHFFFAOYSA-N 0 0 340.339 2.419 40 0 EEABRN COc1ccc(C2(CNC(=O)NC3CCOCC3)CCOCC2)cc1 ZINC000193865206 240339835 /nfs/dbraw/zinc/33/98/35/240339835.db2.gz XQYOYUSAIDHFPA-UHFFFAOYSA-N 0 0 348.443 2.222 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1CSC[C@H](O)C(F)(F)F ZINC000195578430 241024073 /nfs/dbraw/zinc/02/40/73/241024073.db2.gz QQYPQVYBLASBLX-JTQLQIEISA-N 0 0 332.351 2.436 40 0 EEABRN CCOC[C@@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218040937 241293802 /nfs/dbraw/zinc/29/38/02/241293802.db2.gz PIWJASYTVXHSOK-OKZBNKHCSA-N 0 0 331.437 2.360 40 0 EEABRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(COC)C(N)=S)cc1 ZINC000218541850 241331168 /nfs/dbraw/zinc/33/11/68/241331168.db2.gz WNTVJHOZEWWMCW-YCPHGPKFSA-N 0 0 341.498 2.068 40 0 EEABRN CSCC[C@H]([NH2+]Cc1cnc(NCc2ccccc2)nc1)C(=O)[O-] ZINC000218770260 241343544 /nfs/dbraw/zinc/34/35/44/241343544.db2.gz QPOPYWPTOQIBPQ-HNNXBMFYSA-N 0 0 346.456 2.385 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000225492884 241897816 /nfs/dbraw/zinc/89/78/16/241897816.db2.gz HBCLIUUKFCAFRW-OAHLLOKOSA-N 0 0 327.384 2.098 40 0 EEABRN CC(C)n1cnc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1 ZINC000225605434 241949090 /nfs/dbraw/zinc/94/90/90/241949090.db2.gz QOVLNJYDSZLFFB-UHFFFAOYSA-N 0 0 338.371 2.001 40 0 EEABRN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N ZINC000225612291 241951921 /nfs/dbraw/zinc/95/19/21/241951921.db2.gz BUTZFAXSHQLPPV-UHFFFAOYSA-N 0 0 329.375 2.379 40 0 EEABRN O=C(NC1CCCC1)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225628980 241960194 /nfs/dbraw/zinc/96/01/94/241960194.db2.gz WLPNKWAHVDJGNT-UHFFFAOYSA-N 0 0 341.415 2.366 40 0 EEABRN O=C1[C@H](Nc2nnc(-c3ccon3)s2)CCN1Cc1ccccc1 ZINC000225818651 242050628 /nfs/dbraw/zinc/05/06/28/242050628.db2.gz SUHYQHYQABHUJQ-CYBMUJFWSA-N 0 0 341.396 2.406 40 0 EEABRN CS(=O)(=O)N[C@H](CC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000225945330 242079610 /nfs/dbraw/zinc/07/96/10/242079610.db2.gz HYNKOAFKUIGHAJ-OAHLLOKOSA-N 0 0 336.388 2.445 40 0 EEABRN C[C@]1(C(=O)NCCCn2cccn2)CC(c2ccc(F)cc2)=NO1 ZINC000226749060 242111338 /nfs/dbraw/zinc/11/13/38/242111338.db2.gz JNLIMCYDFYDNHG-QGZVFWFLSA-N 0 0 330.363 2.112 40 0 EEABRN COCCNC(=O)Cn1cc(-c2cccc(Br)c2)cn1 ZINC000227154338 242122635 /nfs/dbraw/zinc/12/26/35/242122635.db2.gz PIHGXKRSXKMISQ-UHFFFAOYSA-N 0 0 338.205 2.075 40 0 EEABRN CCc1nnc(NC(=O)CN2c3ccccc3CCCC2=O)s1 ZINC000227169094 242126363 /nfs/dbraw/zinc/12/63/63/242126363.db2.gz XRSQVKJYOJDQBQ-UHFFFAOYSA-N 0 0 330.413 2.409 40 0 EEABRN CC(C)Nc1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 ZINC000226084523 242089009 /nfs/dbraw/zinc/08/90/09/242089009.db2.gz MSBJVZUPDZNRSM-KRWDZBQOSA-N 0 0 331.420 2.193 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCO1 ZINC000245281309 243104850 /nfs/dbraw/zinc/10/48/50/243104850.db2.gz AOERMZUITSWXBW-SMDDNHRTSA-N 0 0 326.343 2.162 40 0 EEABRN CCOc1ccc2nc(NC3=NCN(C(C)C)CN3)nc(C)c2c1 ZINC000020634280 212158019 /nfs/dbraw/zinc/15/80/19/212158019.db2.gz IXNBZIQFYWWWEJ-UHFFFAOYSA-N 0 0 328.420 2.333 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2OC)cc1 ZINC000020495020 212140191 /nfs/dbraw/zinc/14/01/91/212140191.db2.gz ZXMJQGVMSMEPBW-UHFFFAOYSA-N 0 0 349.408 2.101 40 0 EEABRN Cc1cccc(C(=O)N2CCC(c3nccnc3CN(C)C)CC2)n1 ZINC000257219626 244176153 /nfs/dbraw/zinc/17/61/53/244176153.db2.gz DHMBDUNQVNVSIX-UHFFFAOYSA-N 0 0 339.443 2.261 40 0 EEABRN Cc1nc(N)cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000257212211 244154816 /nfs/dbraw/zinc/15/48/16/244154816.db2.gz CCJVCIATIVZLDQ-AWEZNQCLSA-N 0 0 336.392 2.032 40 0 EEABRN O=C(c1ccccn1)N1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000257213658 244159810 /nfs/dbraw/zinc/15/98/10/244159810.db2.gz CIOMFNLOGZVRQX-MRXNPFEDSA-N 0 0 338.411 2.126 40 0 EEABRN CC(=O)N1CC2(CCN(C(=O)c3ccccc3)CC2)C[C@@H](O)C1(C)C ZINC000257216317 244166167 /nfs/dbraw/zinc/16/61/67/244166167.db2.gz CTZJKVWONTXRKH-QGZVFWFLSA-N 0 0 344.455 2.301 40 0 EEABRN CCc1noc(CCC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)n1 ZINC000257219363 244177347 /nfs/dbraw/zinc/17/73/47/244177347.db2.gz DGNOFNLZVYLYIO-AWEZNQCLSA-N 0 0 343.431 2.087 40 0 EEABRN CNc1cc(CC[C@H]2CN(Cc3cnc(C)cn3)CCO2)ccn1 ZINC000257229200 244207192 /nfs/dbraw/zinc/20/71/92/244207192.db2.gz FXDDJCAJJMVXSW-KRWDZBQOSA-N 0 0 327.432 2.055 40 0 EEABRN CC[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1cc(F)ccc1F ZINC000077137839 216844746 /nfs/dbraw/zinc/84/47/46/216844746.db2.gz OLXHOZJTVOXTFL-QMTHXVAHSA-N 0 0 325.359 2.323 40 0 EEABRN Cc1cc(=O)[nH]c([C@@]2(C)CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000257244626 244253675 /nfs/dbraw/zinc/25/36/75/244253675.db2.gz IMCYLRSDGFJTOS-QGZVFWFLSA-N 0 0 327.388 2.049 40 0 EEABRN CCCn1cc(CN2CCN(C=O)C[C@@H]2c2ccccc2OC)cn1 ZINC000257237565 244231846 /nfs/dbraw/zinc/23/18/46/244231846.db2.gz HHBTXCQLVOGWEE-GOSISDBHSA-N 0 0 342.443 2.317 40 0 EEABRN CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)ccn1 ZINC000257236814 244233157 /nfs/dbraw/zinc/23/31/57/244233157.db2.gz HDWVCIXDOARBLB-CQSZACIVSA-N 0 0 332.429 2.087 40 0 EEABRN Nc1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 ZINC000257248810 244262581 /nfs/dbraw/zinc/26/25/81/244262581.db2.gz JFHMKUCJXIVNNU-INIZCTEOSA-N 0 0 338.411 2.151 40 0 EEABRN Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000257266166 244362163 /nfs/dbraw/zinc/36/21/63/244362163.db2.gz MBVOQSKBQODMLZ-JTQLQIEISA-N 0 0 327.356 2.175 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)c2cscn2)CCN1C(C)=O ZINC000257267781 244366916 /nfs/dbraw/zinc/36/69/16/244366916.db2.gz MISMFFOWXXTQLK-HNNXBMFYSA-N 0 0 345.424 2.197 40 0 EEABRN NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1Cc1cncs1 ZINC000257269703 244374709 /nfs/dbraw/zinc/37/47/09/244374709.db2.gz MQZQTLKHHKGRTG-CYBMUJFWSA-N 0 0 342.428 2.012 40 0 EEABRN O=C(C1CCCC1)N1CC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257262630 244353113 /nfs/dbraw/zinc/35/31/13/244353113.db2.gz LMDJGFVIMYWZTR-ZDUSSCGKSA-N 0 0 325.416 2.448 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257311998 244492318 /nfs/dbraw/zinc/49/23/18/244492318.db2.gz ULYYJTXQEMDYSE-AWEZNQCLSA-N 0 0 348.410 2.357 40 0 EEABRN Cc1oc2c(c1C(=O)N1CCO[C@@H](c3nccnc3N)C1)CCCC2 ZINC000257342265 244573973 /nfs/dbraw/zinc/57/39/73/244573973.db2.gz ZNVHKFQQSDBPEM-CQSZACIVSA-N 0 0 342.399 2.053 40 0 EEABRN Cc1nc(C2CCN(C(=O)C3CCCCC3)CC2)ncc1C(N)=O ZINC000019766629 212063298 /nfs/dbraw/zinc/06/32/98/212063298.db2.gz MLCLASGQCJQKTQ-UHFFFAOYSA-N 0 0 330.432 2.170 40 0 EEABRN CNc1cc(CC2CCN(C(=O)c3cccnc3)CC2)nc(C)n1 ZINC000019759038 212062479 /nfs/dbraw/zinc/06/24/79/212062479.db2.gz OBZFUWREKPTLII-UHFFFAOYSA-N 0 0 325.416 2.317 40 0 EEABRN Cc1nc(CC(=O)N2CCC(CC(=O)NCC3CC3)CC2)cs1 ZINC000019748483 212062388 /nfs/dbraw/zinc/06/23/88/212062388.db2.gz WUSSADYQHMVCRB-UHFFFAOYSA-N 0 0 335.473 2.149 40 0 EEABRN COc1cccc(CCc2nnc(NC(=O)[C@@H]3CC(C)=NO3)s2)c1 ZINC000019658221 212054335 /nfs/dbraw/zinc/05/43/35/212054335.db2.gz ABRMBRQEKABQTC-ZDUSSCGKSA-N 0 0 346.412 2.435 40 0 EEABRN COCCN1Cc2cccc(C(=O)N[C@@H](C)c3ccccn3)c2C1=O ZINC000019656342 212053455 /nfs/dbraw/zinc/05/34/55/212053455.db2.gz GMYBHBWGSDFOQY-ZDUSSCGKSA-N 0 0 339.395 2.175 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000019570160 212043791 /nfs/dbraw/zinc/04/37/91/212043791.db2.gz GZTQINPGNNMXKN-CQSZACIVSA-N 0 0 329.400 2.237 40 0 EEABRN Cc1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)ccc1F ZINC000019570788 212044473 /nfs/dbraw/zinc/04/44/73/212044473.db2.gz KZDYTURZBGYBRD-UHFFFAOYSA-N 0 0 341.433 2.102 40 0 EEABRN CCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1 ZINC000019522485 212037301 /nfs/dbraw/zinc/03/73/01/212037301.db2.gz GDVSGKIWTGXDQK-AWEZNQCLSA-N 0 0 326.400 2.056 40 0 EEABRN C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000077931546 217001573 /nfs/dbraw/zinc/00/15/73/217001573.db2.gz NOZFOFGVAVWVDE-KBPBESRZSA-N 0 0 347.436 2.249 40 0 EEABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(I)cn1 ZINC000077962530 217006552 /nfs/dbraw/zinc/00/65/52/217006552.db2.gz YVKRVJNHNAMTPB-NXEZZACHSA-N 0 0 347.200 2.277 40 0 EEABRN Cn1ccc(-c2cc(C(=O)NCCn3ccnc3)c3ccccc3n2)n1 ZINC000019291116 212011784 /nfs/dbraw/zinc/01/17/84/212011784.db2.gz XYDNHMFYCKXNOH-UHFFFAOYSA-N 0 0 346.394 2.262 40 0 EEABRN COC(=O)[C@@H](CNC(=O)c1c(F)cccc1F)Cc1ccc(O)cc1 ZINC000078678283 217100236 /nfs/dbraw/zinc/10/02/36/217100236.db2.gz DJTLYRLEQYBHAE-GFCCVEGCSA-N 0 0 349.333 2.432 40 0 EEABRN O=S1(=O)CC[C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000078774470 217118703 /nfs/dbraw/zinc/11/87/03/217118703.db2.gz BRKDSFQAUILRCN-LURJTMIESA-N 0 0 349.231 2.463 40 0 EEABRN Cc1noc([C@@H](C)OC(=O)[C@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000078986081 217165426 /nfs/dbraw/zinc/16/54/26/217165426.db2.gz KXDSOFAFMUGVEP-ZYHUDNBSSA-N 0 0 333.344 2.270 40 0 EEABRN Cn1cc(C(=O)N2CCc3ccc(Br)cc32)ccc1=O ZINC000078998288 217169608 /nfs/dbraw/zinc/16/96/08/217169608.db2.gz MQRVEISMNLBFNH-UHFFFAOYSA-N 0 0 333.185 2.351 40 0 EEABRN CCN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@H](C)CS(C)(=O)=O ZINC000079036431 217178394 /nfs/dbraw/zinc/17/83/94/217178394.db2.gz OAVQQSKALWAMAY-ABAIWWIYSA-N 0 0 342.436 2.278 40 0 EEABRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000079049539 217181728 /nfs/dbraw/zinc/18/17/28/217181728.db2.gz HVSARIOQVIDEGC-WFASDCNBSA-N 0 0 329.404 2.078 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000079049546 217181872 /nfs/dbraw/zinc/18/18/72/217181872.db2.gz HVSARIOQVIDEGC-IUODEOHRSA-N 0 0 329.404 2.078 40 0 EEABRN CC(C)OCCn1nnnc1Cc1ccc(Br)cc1 ZINC000079309286 217206112 /nfs/dbraw/zinc/20/61/12/217206112.db2.gz QYJYJJGRDOQYOY-UHFFFAOYSA-N 0 0 325.210 2.451 40 0 EEABRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000079331077 217210434 /nfs/dbraw/zinc/21/04/34/217210434.db2.gz HQTKDBBZMICYFF-HNNXBMFYSA-N 0 0 331.441 2.455 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)CNC(=O)CC2CCCCC2)n1 ZINC000079330965 217209289 /nfs/dbraw/zinc/20/92/89/217209289.db2.gz VPJGUSPXZWFRSS-UHFFFAOYSA-N 0 0 334.464 2.093 40 0 EEABRN Cc1ncc(CN(C)C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)s1 ZINC000079630294 217244517 /nfs/dbraw/zinc/24/45/17/217244517.db2.gz PNWHLPSXZFZPGF-NSHDSACASA-N 0 0 342.428 2.325 40 0 EEABRN CS(=O)(=O)c1cccc(N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000081084188 217359953 /nfs/dbraw/zinc/35/99/53/217359953.db2.gz VEAHCRRKGWWZHC-OAHLLOKOSA-N 0 0 348.399 2.447 40 0 EEABRN COCc1nn2c(nnc3c2CCCC3=O)c1-c1ccccc1OC ZINC000014607758 211746850 /nfs/dbraw/zinc/74/68/50/211746850.db2.gz WNFVBDPLDRCBMB-UHFFFAOYSA-N 0 0 338.367 2.465 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)[C@H]1CC=CCC1 ZINC000085467769 217670205 /nfs/dbraw/zinc/67/02/05/217670205.db2.gz KNESCDOKEHXUGW-RDJZCZTQSA-N 0 0 345.418 2.235 40 0 EEABRN CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)Br)CC1 ZINC000085397090 217664048 /nfs/dbraw/zinc/66/40/48/217664048.db2.gz XAWYMUWDIXWATM-UHFFFAOYSA-N 0 0 343.168 2.053 40 0 EEABRN CC[C@@H](C(=O)NC(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714008 211617376 /nfs/dbraw/zinc/61/73/76/211617376.db2.gz OIIZMPWVSAGONU-ZDUSSCGKSA-N 0 0 332.853 2.409 40 0 EEABRN C[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 ZINC000012239693 211327888 /nfs/dbraw/zinc/32/78/88/211327888.db2.gz PTYKPCGDRBUKMT-WFASDCNBSA-N 0 0 338.411 2.118 40 0 EEABRN C=Cn1cc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122066 211299122 /nfs/dbraw/zinc/29/91/22/211299122.db2.gz ZXQIQHYTFYLFQG-UHFFFAOYSA-N 0 0 348.410 2.408 40 0 EEABRN CCCCc1nc(Cl)c(CN2CCc3c(nc(C)[nH]c3=O)C2)[nH]1 ZINC000012116266 211295449 /nfs/dbraw/zinc/29/54/49/211295449.db2.gz XXWGFNFXQBHNLZ-UHFFFAOYSA-N 0 0 335.839 2.356 40 0 EEABRN CCc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3ccsc3n21 ZINC000012114293 211293030 /nfs/dbraw/zinc/29/30/30/211293030.db2.gz DNPUDBVHZMKHAA-UHFFFAOYSA-N 0 0 344.440 2.332 40 0 EEABRN C[C@@H](c1cccc(F)c1)n1cc(C(=O)NCc2ccncc2)nn1 ZINC000012113274 211292395 /nfs/dbraw/zinc/29/23/95/211292395.db2.gz UBBMTKQOLVAFMX-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cnn(C(C)(C)C)c1 ZINC000093837898 218252694 /nfs/dbraw/zinc/25/26/94/218252694.db2.gz MFEVLFHCLHVYPH-UHFFFAOYSA-N 0 0 340.427 2.366 40 0 EEABRN O=C(C[C@H]1CCOC1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000095407219 218342998 /nfs/dbraw/zinc/34/29/98/218342998.db2.gz ZSYVINSLYJPMON-CVEARBPZSA-N 0 0 330.428 2.082 40 0 EEABRN Cn1ccnc1C[C@@H](NC(=O)NC1(CO)CCCC1)c1ccccc1 ZINC000095416245 218354822 /nfs/dbraw/zinc/35/48/22/218354822.db2.gz STINXGRLSHJHJA-MRXNPFEDSA-N 0 0 342.443 2.308 40 0 EEABRN CCNC(=O)[C@H]1CCCN(C(=O)C(F)(F)c2ccc(OC)cc2)C1 ZINC000095439384 218383286 /nfs/dbraw/zinc/38/32/86/218383286.db2.gz HGZYBMHBTLFVAR-LBPRGKRZSA-N 0 0 340.370 2.162 40 0 EEABRN C[S@](=O)c1ncn(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000095438972 218381666 /nfs/dbraw/zinc/38/16/66/218381666.db2.gz DGORCYZEGJMIGW-HSZRJFAPSA-N 0 0 346.334 2.063 40 0 EEABRN Cn1nccc1COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000095452328 218396845 /nfs/dbraw/zinc/39/68/45/218396845.db2.gz SQLUHHDUIYWULU-UHFFFAOYSA-N 0 0 335.429 2.174 40 0 EEABRN C[C@@H]1CCCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000226219122 296309699 /nfs/dbraw/zinc/30/96/99/296309699.db2.gz KWDCVEQPVISAQQ-JLZZUVOBSA-N 0 0 334.391 2.125 40 0 EEABRN CCn1cc2c(n1)CN(C(=O)c1ccncc1)C[C@H]2COCC1CC1 ZINC000096045243 218531234 /nfs/dbraw/zinc/53/12/34/218531234.db2.gz SSROXRIWLWKFCO-INIZCTEOSA-N 0 0 340.427 2.464 40 0 EEABRN CC[C@@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O ZINC000096184188 218648632 /nfs/dbraw/zinc/64/86/32/218648632.db2.gz ZXEOCZOCNHLWMT-LLVKDONJSA-N 0 0 349.818 2.487 40 0 EEABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)O1 ZINC000096186645 218652592 /nfs/dbraw/zinc/65/25/92/218652592.db2.gz VALVZUUNDJIJDM-KBMXLJTQSA-N 0 0 325.430 2.034 40 0 EEABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)C1CCCC1)C2 ZINC000096237855 218709997 /nfs/dbraw/zinc/70/99/97/218709997.db2.gz ADRASWNUUFOWSW-HXUWFJFHSA-N 0 0 341.455 2.126 40 0 EEABRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@@H]12 ZINC000096251873 218722695 /nfs/dbraw/zinc/72/26/95/218722695.db2.gz SMNJSCZZICCJPW-IEBWSBKVSA-N 0 0 327.428 2.123 40 0 EEABRN C[C@@]1(C(=O)OCCn2cccn2)CCCN1C(=O)c1ccccc1 ZINC000096408988 218761871 /nfs/dbraw/zinc/76/18/71/218761871.db2.gz CVIXWJGFGYKWFW-SFHVURJKSA-N 0 0 327.384 2.121 40 0 EEABRN COCCCS(=O)(=O)NC1(c2cccc(Br)c2)CC1 ZINC000096419792 218783192 /nfs/dbraw/zinc/78/31/92/218783192.db2.gz FZZDWOSUGRGORA-UHFFFAOYSA-N 0 0 348.262 2.394 40 0 EEABRN C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000096431019 218805516 /nfs/dbraw/zinc/80/55/16/218805516.db2.gz VYWXVFLVOBIOEY-GXTWGEPZSA-N 0 0 327.421 2.088 40 0 EEABRN O=S(=O)(Cc1ccon1)N1CCC[C@H](n2cnc3ccccc32)C1 ZINC000096427922 218800539 /nfs/dbraw/zinc/80/05/39/218800539.db2.gz AQDUWFGUSWILKF-AWEZNQCLSA-N 0 0 346.412 2.191 40 0 EEABRN Cn1cc(C(=O)NC[C@H](O)c2cc3ccccc3s2)ccc1=O ZINC000096466492 218846658 /nfs/dbraw/zinc/84/66/58/218846658.db2.gz RTNASTLSEIYRMB-ZDUSSCGKSA-N 0 0 328.393 2.063 40 0 EEABRN Cc1cc(C(=O)Cn2ccnc2S(C)(=O)=O)c(Cl)cc1F ZINC000096472004 218850269 /nfs/dbraw/zinc/85/02/69/218850269.db2.gz XVONYNIVAQROSR-UHFFFAOYSA-N 0 0 330.768 2.270 40 0 EEABRN O=C(CNC(=O)c1ccccc1)Nc1ncn(C2CCCCC2)n1 ZINC000096502508 218879426 /nfs/dbraw/zinc/87/94/26/218879426.db2.gz MFRREBSOHQDRQG-UHFFFAOYSA-N 0 0 327.388 2.152 40 0 EEABRN Cn1cnc2cc(C(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cnc21 ZINC000096499919 218875687 /nfs/dbraw/zinc/87/56/87/218875687.db2.gz HATYRXNYMKOARK-MRXNPFEDSA-N 0 0 340.358 2.321 40 0 EEABRN CN(C)c1ccnc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1 ZINC000097104168 218955367 /nfs/dbraw/zinc/95/53/67/218955367.db2.gz HRPCXYKFQCEEEY-QGZVFWFLSA-N 0 0 340.427 2.364 40 0 EEABRN C[C@H](Cn1ccnc1)NC(=O)COc1ccccc1Br ZINC000097230238 219000210 /nfs/dbraw/zinc/00/02/10/219000210.db2.gz FXQNVIYPPOEHOO-LLVKDONJSA-N 0 0 338.205 2.229 40 0 EEABRN COCCNC(=O)[C@H](OC(=O)c1cccs1)c1ccccc1OC ZINC000004901337 210316548 /nfs/dbraw/zinc/31/65/48/210316548.db2.gz SLTJYCILNXDLQP-OAHLLOKOSA-N 0 0 349.408 2.417 40 0 EEABRN Cc1ccc(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)cn1 ZINC000371246402 258001985 /nfs/dbraw/zinc/00/19/85/258001985.db2.gz DCUHLDDURBNKSP-LLVKDONJSA-N 0 0 339.321 2.036 40 0 EEABRN CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OCC)cc1 ZINC000027028622 258005483 /nfs/dbraw/zinc/00/54/83/258005483.db2.gz YAPQXORASKDGDU-KGLIPLIRSA-N 0 0 348.428 2.307 40 0 EEABRN CS(=O)(=O)N[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000131405857 533415290 /nfs/dbraw/zinc/41/52/90/533415290.db2.gz PZUUXUJSHKIQPN-NSHDSACASA-N 0 0 341.383 2.031 40 0 EEABRN C[C@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1nnc2ccccn21 ZINC000190631789 533654192 /nfs/dbraw/zinc/65/41/92/533654192.db2.gz MFYAWVFFVZMHDC-UGSOOPFHSA-N 0 0 345.447 2.421 40 0 EEABRN COc1ccccc1N1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000055556912 132196090 /nfs/dbraw/zinc/19/60/90/132196090.db2.gz RQXKXYMNQCEZCJ-GVDBMIGSSA-N 0 0 343.471 2.122 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000043977039 132413937 /nfs/dbraw/zinc/41/39/37/132413937.db2.gz MENCWJPVAGFWDU-HNNXBMFYSA-N 0 0 340.427 2.277 40 0 EEABRN Cc1ccccc1OCC(=O)NCC1CCN(c2ncccn2)CC1 ZINC000043977049 132414339 /nfs/dbraw/zinc/41/43/39/132414339.db2.gz NPTOOVNORHNAQJ-UHFFFAOYSA-N 0 0 340.427 2.197 40 0 EEABRN COc1ccc([C@H]2CN(C(=O)c3ccncc3)CCN2C(C)=O)cc1 ZINC000257309548 286378709 /nfs/dbraw/zinc/37/87/09/286378709.db2.gz UBJCZKRJDMMMKK-GOSISDBHSA-N 0 0 339.395 2.136 40 0 EEABRN COc1ncnc(N(C)C)c1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000253416537 286575405 /nfs/dbraw/zinc/57/54/05/286575405.db2.gz JURWZAYXPVLCTR-GFCCVEGCSA-N 0 0 327.388 2.005 40 0 EEABRN CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1cnccn1)C2 ZINC000056911213 275544048 /nfs/dbraw/zinc/54/40/48/275544048.db2.gz LOFCZEKDKIDFPS-UHFFFAOYSA-N 0 0 336.399 2.375 40 0 EEABRN CC(C)/C=C1/NC(=O)[C@H](C(C)C)n2c(=O)c3cccc(O)c3nc21 ZINC000209369283 277320488 /nfs/dbraw/zinc/32/04/88/277320488.db2.gz UVGDCLGJXMBOBD-JQVXPOPVSA-N 0 0 327.384 2.426 40 0 biogenic,in-vitro EEABRN CCC[C@@]12CCCN1C(=O)N([C@H]1CCN(CC(F)(F)F)C1)C2=O ZINC000253431813 278917180 /nfs/dbraw/zinc/91/71/80/278917180.db2.gz UDRSERVUKAJBAV-FZMZJTMJSA-N 0 0 333.354 2.220 40 0 EEABRN O=C(c1cscn1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221708 280237330 /nfs/dbraw/zinc/23/73/30/280237330.db2.gz NRSRLKAESCKASC-CQSZACIVSA-N 0 0 345.424 2.381 40 0 EEABRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000097371297 288971702 /nfs/dbraw/zinc/97/17/02/288971702.db2.gz LPDZKUDBNIHHCG-GHMZBOCLSA-N 0 0 329.849 2.282 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000408431181 295107455 /nfs/dbraw/zinc/10/74/55/295107455.db2.gz CUSXXADKNHMCPO-BFHYXJOUSA-N 0 0 327.446 2.174 40 0 EEABRN Cc1cc(CS(=O)(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)no1 ZINC000331546522 311869389 /nfs/dbraw/zinc/86/93/89/311869389.db2.gz WGEYLHCVQMLMBN-HWWQOWPSSA-N 0 0 336.413 2.356 40 0 EEABRN O=C(NCc1nnc(-c2ccncc2)[nH]1)N1CC2(C1)CCCCC2 ZINC000334110523 312241033 /nfs/dbraw/zinc/24/10/33/312241033.db2.gz BKSMHEROHWYSLA-UHFFFAOYSA-N 0 0 326.404 2.342 40 0 EEABRN O=C(NCCc1cn2c(n1)CCCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234551 323321611 /nfs/dbraw/zinc/32/16/11/323321611.db2.gz ZFMJBEZEUDXJIM-MRXNPFEDSA-N 0 0 342.447 2.422 40 0 EEABRN Cc1cnc(-c2cccc(NC(=O)N[C@@H]3CCc4ncnn4C3)c2)o1 ZINC000132290741 323329194 /nfs/dbraw/zinc/32/91/94/323329194.db2.gz JAQJBTYICIUFLD-CQSZACIVSA-N 0 0 338.371 2.378 40 0 EEABRN CN(C)c1ccnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000133600981 323329627 /nfs/dbraw/zinc/32/96/27/323329627.db2.gz BUVWHLHVECLTMW-SUMWQHHRSA-N 0 0 347.365 2.374 40 0 EEABRN C[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000192565157 533708703 /nfs/dbraw/zinc/70/87/03/533708703.db2.gz FDUBDYZZLFIYKD-MWLCHTKSSA-N 0 0 332.231 2.252 40 0 EEABRN O=C(N[C@@H](n1cnccc1=O)C(Cl)(Cl)Cl)c1ccco1 ZINC000000369725 462557347 /nfs/dbraw/zinc/55/73/47/462557347.db2.gz HDOIQTGWOCZTOW-JTQLQIEISA-N 0 0 336.562 2.135 40 0 EEABRN CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2ccc(Br)o2)C1 ZINC000083961399 463569079 /nfs/dbraw/zinc/56/90/79/463569079.db2.gz TXNIQVMUXHKNSH-HTQZYQBOSA-N 0 0 337.191 2.165 40 0 EEABRN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1Cn1ccnn1 ZINC000328910348 465165175 /nfs/dbraw/zinc/16/51/75/465165175.db2.gz FONXZHWHCGPPGM-INIZCTEOSA-N 0 0 346.456 2.010 40 0 EEABRN Cn1nc(-c2ccsc2)cc1NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329120494 465240231 /nfs/dbraw/zinc/24/02/31/465240231.db2.gz KFGZDOVRYLXTSO-SECBINFHSA-N 0 0 328.401 2.010 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NO[C@@H]3CCCCO3)C2)cc1 ZINC000060333009 462541724 /nfs/dbraw/zinc/54/17/24/462541724.db2.gz AKBKMTYOQJHNAS-DLBZAZTESA-N 0 0 346.427 2.422 40 0 EEABRN O=C(Cn1nc2c3c1cccc3C(=O)c1ccccc1-2)N1CCOCC1 ZINC000000141500 462543424 /nfs/dbraw/zinc/54/34/24/462543424.db2.gz MYXZVBRXYUNFFU-UHFFFAOYSA-N 0 0 347.374 2.107 40 0 EEABRN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cn2c(n1)CCCC2 ZINC000060372053 462543988 /nfs/dbraw/zinc/54/39/88/462543988.db2.gz FUPPEIZEEYVMPC-UHFFFAOYSA-N 0 0 336.436 2.139 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]([NH2+]C[C@@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000000195698 462547003 /nfs/dbraw/zinc/54/70/03/462547003.db2.gz VKMIWJQQHDJFNJ-JSGCOSHPSA-N 0 0 340.807 2.199 40 0 EEABRN Cc1cccc(OCc2nnc(SCC(=O)N3CCCC3)n2C)c1 ZINC000000419604 462560054 /nfs/dbraw/zinc/56/00/54/462560054.db2.gz UZQSBCPVSCGBQG-UHFFFAOYSA-N 0 0 346.456 2.417 40 0 EEABRN [NH3+][C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000001578135 462584048 /nfs/dbraw/zinc/58/40/48/462584048.db2.gz VCCOYCCXZHRTFQ-HNNXBMFYSA-N 0 0 344.436 2.037 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1sc(C)nc1C ZINC000087125521 462590593 /nfs/dbraw/zinc/59/05/93/462590593.db2.gz QGOGZLGHINKQAW-NSHDSACASA-N 0 0 334.449 2.248 40 0 EEABRN Cn1ncc2c1ncn(Cc1coc(-c3cccc(Cl)c3)n1)c2=O ZINC000045528315 462594896 /nfs/dbraw/zinc/59/48/96/462594896.db2.gz NBPDOQSLJGVMAW-UHFFFAOYSA-N 0 0 341.758 2.487 40 0 EEABRN O=C(c1ccco1)N1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000074732109 462628392 /nfs/dbraw/zinc/62/83/92/462628392.db2.gz CCAXTVRLCKJPKM-UHFFFAOYSA-N 0 0 341.392 2.488 40 0 EEABRN CCCCNC(=O)CCc1nc(-c2ccc(C)n(CCC)c2=O)no1 ZINC000046020483 462638117 /nfs/dbraw/zinc/63/81/17/462638117.db2.gz GEYWGHLSRDIESV-UHFFFAOYSA-N 0 0 346.431 2.466 40 0 EEABRN CCc1noc(C2CCN(C(=O)COc3ccc(OC)cc3)CC2)n1 ZINC000046087617 462646073 /nfs/dbraw/zinc/64/60/73/462646073.db2.gz RICCAKZVZVQQFH-UHFFFAOYSA-N 0 0 345.399 2.426 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)c2nnc3ccc(Cl)cc3n2)n1 ZINC000046088525 462646386 /nfs/dbraw/zinc/64/63/86/462646386.db2.gz SAZXUGFJQIWVQF-UHFFFAOYSA-N 0 0 344.806 2.312 40 0 EEABRN Cc1csc2nc(COC(=O)COc3ccccc3F)cc(=O)n12 ZINC000005989585 462673958 /nfs/dbraw/zinc/67/39/58/462673958.db2.gz APWOZYOYGQGWEU-UHFFFAOYSA-N 0 0 348.355 2.326 40 0 EEABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000006308175 462681736 /nfs/dbraw/zinc/68/17/36/462681736.db2.gz PXUQAKHHYBKAIE-NTEUORMPSA-N 0 0 345.424 2.376 40 0 EEABRN O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CSCCC(=O)N1 ZINC000075171505 462690559 /nfs/dbraw/zinc/69/05/59/462690559.db2.gz JETLOUNBLGCFHO-SECBINFHSA-N 0 0 334.319 2.145 40 0 EEABRN COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ncn1 ZINC000075166449 462690946 /nfs/dbraw/zinc/69/09/46/462690946.db2.gz NKUJNWPANXTMEB-ZDUSSCGKSA-N 0 0 340.383 2.094 40 0 EEABRN CCCCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000006648162 462694371 /nfs/dbraw/zinc/69/43/71/462694371.db2.gz PFKSKODEUQOBMC-UHFFFAOYSA-N 0 0 340.489 2.470 40 0 EEABRN O=C(NCCSc1ccccc1)c1ccnc(-n2cnnc2)c1 ZINC000006677919 462696101 /nfs/dbraw/zinc/69/61/01/462696101.db2.gz RWGILWZSFCUCTH-UHFFFAOYSA-N 0 0 325.397 2.184 40 0 EEABRN CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 ZINC000006681664 462696999 /nfs/dbraw/zinc/69/69/99/462696999.db2.gz VQHMKQPMYOMDNM-UHFFFAOYSA-N 0 0 330.456 2.038 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cs1 ZINC000006680915 462697448 /nfs/dbraw/zinc/69/74/48/462697448.db2.gz MPTSTUOVYQEPCW-NSHDSACASA-N 0 0 330.475 2.309 40 0 EEABRN COc1c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)nn1C ZINC000075347940 462708172 /nfs/dbraw/zinc/70/81/72/462708172.db2.gz IQWJFPDZNCADDW-GFCCVEGCSA-N 0 0 339.399 2.414 40 0 EEABRN Cn1c2ccc(S(=O)(=O)NC3CCCCC3)cc2sc1=O ZINC000075433432 462716832 /nfs/dbraw/zinc/71/68/32/462716832.db2.gz POXXZZOVRAOSJT-UHFFFAOYSA-N 0 0 326.443 2.211 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C12CCC2 ZINC000075492554 462721966 /nfs/dbraw/zinc/72/19/66/462721966.db2.gz MHDFKVDWMVDTIL-ZIAGYGMSSA-N 0 0 327.384 2.001 40 0 EEABRN COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NC1CCCC1 ZINC000008092092 462765870 /nfs/dbraw/zinc/76/58/70/462765870.db2.gz DZHGMRQQTBQFAJ-UVTDQMKNSA-N 0 0 328.368 2.204 40 0 EEABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)NCCCOC ZINC000008090098 462766269 /nfs/dbraw/zinc/76/62/69/462766269.db2.gz QLIJKJBXHJZKQU-UHFFFAOYSA-N 0 0 348.472 2.134 40 0 EEABRN COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000008686675 462790920 /nfs/dbraw/zinc/79/09/20/462790920.db2.gz BSQMKJKJKYNPGA-UHFFFAOYSA-N 0 0 337.379 2.181 40 0 EEABRN O=C(CCn1ccc2ccccc21)NCC(=O)Nc1nccs1 ZINC000065608341 462808595 /nfs/dbraw/zinc/80/85/95/462808595.db2.gz UWKPXFHVYDEDTO-UHFFFAOYSA-N 0 0 328.397 2.243 40 0 EEABRN CNC(=O)c1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000076183801 462819095 /nfs/dbraw/zinc/81/90/95/462819095.db2.gz ZYQNDHSXYVBQAE-UHFFFAOYSA-N 0 0 347.422 2.321 40 0 EEABRN CC(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000012185137 462847150 /nfs/dbraw/zinc/84/71/50/462847150.db2.gz RVIRSJRXIYFTIE-XXZHDZSNSA-N 0 0 328.412 2.466 40 0 EEABRN COCCOCCOCCC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000013139299 462885475 /nfs/dbraw/zinc/88/54/75/462885475.db2.gz ZSWXTNGZQGBTQX-RLFYNMQTSA-N 0 0 327.465 2.387 40 0 EEABRN Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)N4CCOCC4)[C@@H]31)O2 ZINC000013227526 462887645 /nfs/dbraw/zinc/88/76/45/462887645.db2.gz HROBZDOZRBDRMI-LCPZFUNLSA-N 0 0 341.407 2.214 40 0 EEABRN CCCCN(C)C(=O)CSc1nc(O)c(CC(C)C)c(=O)[nH]1 ZINC000013453783 462892782 /nfs/dbraw/zinc/89/27/82/462892782.db2.gz VPTHWSFLLYXHMR-UHFFFAOYSA-N 0 0 327.450 2.025 40 0 EEABRN CC(C)[C@@H](C)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000048561027 462919309 /nfs/dbraw/zinc/91/93/09/462919309.db2.gz XCNVFGGAOUNNBN-LLVKDONJSA-N 0 0 338.839 2.442 40 0 EEABRN Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@@H]2c1ccccc1 ZINC000014607540 462930518 /nfs/dbraw/zinc/93/05/18/462930518.db2.gz XWGPEBOPAJJHEL-KRWDZBQOSA-N 0 0 346.394 2.065 40 0 EEABRN O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2cccnc2)C1 ZINC000015674634 462959719 /nfs/dbraw/zinc/95/97/19/462959719.db2.gz MLGCTTNLIGXQRP-SJORKVTESA-N 0 0 336.395 2.363 40 0 biogenic,in-vitro EEABRN C[C@](O)(CNC(=O)NCCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000077577252 463008475 /nfs/dbraw/zinc/00/84/75/463008475.db2.gz MHWUXEQQUWYJLF-SFHVURJKSA-N 0 0 346.452 2.432 40 0 EEABRN O=C(Cc1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 ZINC000019403447 463017619 /nfs/dbraw/zinc/01/76/19/463017619.db2.gz LXTBEZJUNKFVBW-UHFFFAOYSA-N 0 0 349.394 2.475 40 0 EEABRN CC(C)CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000019447115 463017634 /nfs/dbraw/zinc/01/76/34/463017634.db2.gz NIURHWQOQNXQCW-QZTJIDSGSA-N 0 0 343.471 2.006 40 0 EEABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 ZINC000096039473 463143914 /nfs/dbraw/zinc/14/39/14/463143914.db2.gz KLTJCFZCIMNJMN-MAUKXSAKSA-N 0 0 334.416 2.138 40 0 EEABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C)nn1CC)C2 ZINC000096039479 463144140 /nfs/dbraw/zinc/14/41/40/463144140.db2.gz RNDVICGVEPOIRF-FUHWJXTLSA-N 0 0 335.448 2.259 40 0 EEABRN Cc1ccc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)nn1 ZINC000096040959 463145707 /nfs/dbraw/zinc/14/57/07/463145707.db2.gz PLZWKWQLXBAFCW-YCPHGPKFSA-N 0 0 330.363 2.134 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)nc1 ZINC000096040108 463145722 /nfs/dbraw/zinc/14/57/22/463145722.db2.gz RNDYZSGBVQJQAH-HKUYNNGSSA-N 0 0 340.427 2.464 40 0 EEABRN CC(C)c1nnc([C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)o1 ZINC000096045814 463150030 /nfs/dbraw/zinc/15/00/30/463150030.db2.gz RURIIMYQXMMOOG-AEGPPILISA-N 0 0 342.399 2.119 40 0 EEABRN COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096045592 463150596 /nfs/dbraw/zinc/15/05/96/463150596.db2.gz XWPFPOIZYLVQFM-ZDUSSCGKSA-N 0 0 346.456 2.065 40 0 EEABRN Cc1nc(CO[C@@H]2CN(Cc3ccccn3)[C@@H]3COC[C@H]23)cs1 ZINC000096055884 463158294 /nfs/dbraw/zinc/15/82/94/463158294.db2.gz CRRAJNQLSUZOLW-GVDBMIGSSA-N 0 0 331.441 2.263 40 0 EEABRN COC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2ncn(CC3CC3)c21 ZINC000096060285 463159497 /nfs/dbraw/zinc/15/94/97/463159497.db2.gz RFDXXFVAMGCZFA-OAHLLOKOSA-N 0 0 340.427 2.383 40 0 EEABRN O=C(NCc1cncc2c1CCN(Cc1nccs1)C2)C1CC1 ZINC000096067419 463163988 /nfs/dbraw/zinc/16/39/88/463163988.db2.gz PBNBLIIZDAJQME-UHFFFAOYSA-N 0 0 328.441 2.123 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096081082 463170907 /nfs/dbraw/zinc/17/09/07/463170907.db2.gz RJACQMXKRSAFEU-CHWSQXEVSA-N 0 0 342.424 2.379 40 0 EEABRN CCCNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000096101029 463173438 /nfs/dbraw/zinc/17/34/38/463173438.db2.gz YLLLVRLXKFJMNX-GFCCVEGCSA-N 0 0 345.399 2.015 40 0 EEABRN Fc1cnc(N2CCC3(CO[C@H](COc4cccnc4)C3)CC2)nc1 ZINC000096106092 463174334 /nfs/dbraw/zinc/17/43/34/463174334.db2.gz IALGUCNRISDGKM-INIZCTEOSA-N 0 0 344.390 2.465 40 0 EEABRN CC(C)CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000096128258 463183697 /nfs/dbraw/zinc/18/36/97/463183697.db2.gz JZEDJPVKOZRUJT-UHFFFAOYSA-N 0 0 332.416 2.317 40 0 EEABRN Cc1ccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)o1 ZINC000096181577 463194312 /nfs/dbraw/zinc/19/43/12/463194312.db2.gz DGZVYVMJXINGLE-QZTJIDSGSA-N 0 0 342.395 2.111 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3ccco3)OCC(=O)N2C)cc1 ZINC000096181421 463194349 /nfs/dbraw/zinc/19/43/49/463194349.db2.gz XWWLTSDOYFHVHV-QZTJIDSGSA-N 0 0 342.395 2.145 40 0 EEABRN O=C(c1cnccn1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCc1cccnc1 ZINC000096183008 463194717 /nfs/dbraw/zinc/19/47/17/463194717.db2.gz QGBNPPSMVSMLSO-RYRKJORJSA-N 0 0 338.411 2.329 40 0 EEABRN CN(Cc1cccnc1)[C@@H]1CN(C(=O)c2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096186004 463197764 /nfs/dbraw/zinc/19/77/64/463197764.db2.gz MHNAILNNXXKSCN-NUJGCVRESA-N 0 0 341.411 2.179 40 0 EEABRN O=C1CCCN1C[C@@H]1Cn2ccnc2CN(Cc2cccs2)C1 ZINC000096188411 463199750 /nfs/dbraw/zinc/19/97/50/463199750.db2.gz QNJIAJBBFQIEOU-AWEZNQCLSA-N 0 0 330.457 2.199 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@H](OC)[C@@H]2Cc2cccnc2)c1 ZINC000096200489 463205904 /nfs/dbraw/zinc/20/59/04/463205904.db2.gz CMCNJDHQKHQFGL-OALUTQOASA-N 0 0 340.423 2.491 40 0 EEABRN c1cncc(CNc2ccnc([C@@H]3COCCN3C3CCC3)n2)c1 ZINC000096219940 463217413 /nfs/dbraw/zinc/21/74/13/463217413.db2.gz ZMXFJAUDXZERDL-INIZCTEOSA-N 0 0 325.416 2.410 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096220410 463217955 /nfs/dbraw/zinc/21/79/55/463217955.db2.gz WSLXFZSOODTPSO-YNEHKIRRSA-N 0 0 333.413 2.220 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000096224427 463219060 /nfs/dbraw/zinc/21/90/60/463219060.db2.gz VEFMORQKLZJZLZ-LJQANCHMSA-N 0 0 342.443 2.112 40 0 EEABRN Cn1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n1 ZINC000028236362 463219337 /nfs/dbraw/zinc/21/93/37/463219337.db2.gz NESPZKBVLHGIMU-UHFFFAOYSA-N 0 0 336.798 2.171 40 0 EEABRN O=C(c1ccc[nH]1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226417 463221173 /nfs/dbraw/zinc/22/11/73/463221173.db2.gz RFAHXTULAYFVBE-GOSISDBHSA-N 0 0 344.390 2.060 40 0 EEABRN c1csc(CN2CCO[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229456 463223880 /nfs/dbraw/zinc/22/38/80/463223880.db2.gz DWPKDSUKVFPBKS-SFHVURJKSA-N 0 0 345.468 2.251 40 0 EEABRN O=C(c1ccsc1)N1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC000096246065 463226637 /nfs/dbraw/zinc/22/66/37/463226637.db2.gz LFJMORNPOBLSDT-GXFFZTMASA-N 0 0 333.438 2.191 40 0 EEABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCNC1=O ZINC000069332402 463230364 /nfs/dbraw/zinc/23/03/64/463230364.db2.gz GWVQLMPCCZQLKJ-GFCCVEGCSA-N 0 0 333.388 2.266 40 0 EEABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 ZINC000029046323 463240659 /nfs/dbraw/zinc/24/06/59/463240659.db2.gz ZFKYTBMTIYYHRQ-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN CO[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)c1ccccc1 ZINC000096408772 463241215 /nfs/dbraw/zinc/24/12/15/463241215.db2.gz YJZQBKHKIBLDAO-RCDICMHDSA-N 0 0 326.462 2.221 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)n1 ZINC000096408756 463241429 /nfs/dbraw/zinc/24/14/29/463241429.db2.gz OLMHTMODNYKRKB-MRXNPFEDSA-N 0 0 332.448 2.227 40 0 EEABRN CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000096410231 463242892 /nfs/dbraw/zinc/24/28/92/463242892.db2.gz QBGUCRIBUUFSRE-QGZVFWFLSA-N 0 0 344.436 2.404 40 0 EEABRN COC[C@H](NC(=O)Cn1cccn1)c1cccc(C(F)(F)F)c1 ZINC000096411033 463244021 /nfs/dbraw/zinc/24/40/21/463244021.db2.gz DJRHVHXCSPASEF-ZDUSSCGKSA-N 0 0 327.306 2.406 40 0 EEABRN CCc1nc(CCNC(=O)NCC[C@@H](O)C(F)(F)F)sc1C ZINC000096413311 463246349 /nfs/dbraw/zinc/24/63/49/463246349.db2.gz YQAUVEYWIFQNET-SNVBAGLBSA-N 0 0 339.383 2.169 40 0 EEABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)NCC[C@H](O)C(F)(F)F ZINC000096413292 463246391 /nfs/dbraw/zinc/24/63/91/463246391.db2.gz CHSAIKGGTKNOQM-UTUOFQBUSA-N 0 0 326.359 2.194 40 0 EEABRN CCC[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C1CCOCC1 ZINC000096417479 463249516 /nfs/dbraw/zinc/24/95/16/463249516.db2.gz YSPVLHGYWJJKKN-MRXNPFEDSA-N 0 0 340.489 2.343 40 0 EEABRN C[C@H](CC[C@H]1CCCO1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096420744 463251996 /nfs/dbraw/zinc/25/19/96/463251996.db2.gz SPHHUHCQWSANPA-QRQLOZEOSA-N 0 0 346.471 2.351 40 0 EEABRN CC1(C)[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000096421982 463252565 /nfs/dbraw/zinc/25/25/65/463252565.db2.gz JTBNNJNEAGAFGO-AXFHLTTASA-N 0 0 332.326 2.380 40 0 EEABRN CC[C@@H](C)c1cc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)on1 ZINC000096422371 463253592 /nfs/dbraw/zinc/25/35/92/463253592.db2.gz ZVTSBACENRHRRD-KOLCDFICSA-N 0 0 347.337 2.423 40 0 EEABRN CCc1cc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)[nH]n1 ZINC000096426488 463255820 /nfs/dbraw/zinc/25/58/20/463255820.db2.gz BVDUNWPOLUIGFO-UHFFFAOYSA-N 0 0 347.806 2.085 40 0 EEABRN C[C@@H](SCCNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000096430200 463258907 /nfs/dbraw/zinc/25/89/07/463258907.db2.gz MKXPTBRYLAIXLM-SNVBAGLBSA-N 0 0 331.488 2.254 40 0 EEABRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc3cc[nH]c32)C1 ZINC000096430678 463260031 /nfs/dbraw/zinc/26/00/31/463260031.db2.gz FFMSFIKGBOLLDN-UKRRQHHQSA-N 0 0 343.427 2.171 40 0 EEABRN CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000096439279 463266131 /nfs/dbraw/zinc/26/61/31/463266131.db2.gz FYDJAWOQLSMZHF-CQSZACIVSA-N 0 0 330.436 2.149 40 0 EEABRN O=S1(=O)CCCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000096441448 463267131 /nfs/dbraw/zinc/26/71/31/463267131.db2.gz OWOZOVJZFHMUPJ-UHFFFAOYSA-N 0 0 337.363 2.248 40 0 EEABRN CN(C)S(=O)(=O)c1cccc(CNC(C)(C)c2nccs2)c1 ZINC000096443380 463268128 /nfs/dbraw/zinc/26/81/28/463268128.db2.gz TZYLHXVOOZQEPU-UHFFFAOYSA-N 0 0 339.486 2.418 40 0 EEABRN NC(=O)N1CCC[C@H]1COC(=O)c1ccc(Br)s1 ZINC000096442179 463268184 /nfs/dbraw/zinc/26/81/84/463268184.db2.gz OWYRQPBLMPMJCF-ZETCQYMHSA-N 0 0 333.207 2.211 40 0 EEABRN CC[C@@H]1COCCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443359 463268333 /nfs/dbraw/zinc/26/83/33/463268333.db2.gz DSDMMXDWACLYIX-CYBMUJFWSA-N 0 0 333.457 2.066 40 0 EEABRN CCc1cccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)c1O ZINC000096459236 463276271 /nfs/dbraw/zinc/27/62/71/463276271.db2.gz JBXPVCOPBBIQCQ-UHFFFAOYSA-N 0 0 344.333 2.191 40 0 EEABRN C[C@@H](NS(C)(=O)=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000096472939 463279225 /nfs/dbraw/zinc/27/92/25/463279225.db2.gz SFIJSZRWQJQNDY-SSDOTTSWSA-N 0 0 346.206 2.109 40 0 EEABRN CCCCc1nnc(NC(=O)CN2CCC(n3cccn3)CC2)s1 ZINC000096479805 463281675 /nfs/dbraw/zinc/28/16/75/463281675.db2.gz IJZKNZMMTBIAAQ-UHFFFAOYSA-N 0 0 348.476 2.353 40 0 EEABRN Cc1ccsc1-c1nnc(NC(=O)CN2C[C@H](C)OC[C@@H]2C)o1 ZINC000096485255 463283539 /nfs/dbraw/zinc/28/35/39/463283539.db2.gz BHPBHTBNLDFZQQ-QWRGUYRKSA-N 0 0 336.417 2.154 40 0 EEABRN C[C@H](C(=O)N1CCc2cc(Br)sc2C1)n1cncn1 ZINC000096485639 463283891 /nfs/dbraw/zinc/28/38/91/463283891.db2.gz GHCFOZAWKSPNBF-MRVPVSSYSA-N 0 0 341.234 2.248 40 0 EEABRN C[C@@H](CCCO)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000096487676 463284907 /nfs/dbraw/zinc/28/49/07/463284907.db2.gz YDZMZQGYLMJYLR-QWRGUYRKSA-N 0 0 342.798 2.109 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000096491869 463286255 /nfs/dbraw/zinc/28/62/55/463286255.db2.gz IRAMAXKRPNPHQO-GJZGRUSLSA-N 0 0 347.463 2.274 40 0 EEABRN Cc1cc(NC(=O)N[C@H]2CCCn3ncnc32)nn1-c1ccccc1 ZINC000096490288 463286325 /nfs/dbraw/zinc/28/63/25/463286325.db2.gz FFXZSNMZDWWIFR-AWEZNQCLSA-N 0 0 337.387 2.429 40 0 EEABRN Cc1cc(F)ccc1S(=O)(=O)NCc1nccn1CC(C)C ZINC000096492582 463287727 /nfs/dbraw/zinc/28/77/27/463287727.db2.gz YEEOLZUJLNPIDL-UHFFFAOYSA-N 0 0 325.409 2.465 40 0 EEABRN C[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000096494001 463288262 /nfs/dbraw/zinc/28/82/62/463288262.db2.gz HQDWFHDJZHLHDZ-WMLDXEAASA-N 0 0 328.416 2.134 40 0 EEABRN C[C@](Cl)([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096520225 463294110 /nfs/dbraw/zinc/29/41/10/463294110.db2.gz ZZCSVRMTEPVUAI-NXEZZACHSA-N 0 0 327.627 2.482 40 0 EEABRN COc1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000030848443 463312219 /nfs/dbraw/zinc/31/22/19/463312219.db2.gz ZFMYOQQFRNDDIC-UHFFFAOYSA-N 0 0 340.423 2.457 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000097095061 463321607 /nfs/dbraw/zinc/32/16/07/463321607.db2.gz XNTCOOOPRCOQFE-YLQAJVPDSA-N 0 0 336.407 2.384 40 0 EEABRN Cc1cc(C(=O)OC[C@@H]2CCC(=O)N2)nn1-c1cc(C)cc(C)c1 ZINC000097231485 463350795 /nfs/dbraw/zinc/35/07/95/463350795.db2.gz WCLGXIUTTQOQLP-AWEZNQCLSA-N 0 0 327.384 2.233 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1 ZINC000032118559 463364638 /nfs/dbraw/zinc/36/46/38/463364638.db2.gz CITAVNFCLRKANC-UHFFFAOYSA-N 0 0 340.420 2.111 40 0 EEABRN Cc1noc([C@H]2CCCCN2C(=O)[C@H]2COc3ccccc3O2)n1 ZINC000040714860 463463925 /nfs/dbraw/zinc/46/39/25/463463925.db2.gz JQISSKJASVNTGZ-IUODEOHRSA-N 0 0 329.356 2.272 40 0 EEABRN CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC000041058394 463465629 /nfs/dbraw/zinc/46/56/29/463465629.db2.gz ZVXSQJXVFVRFQP-KRWDZBQOSA-N 0 0 348.443 2.089 40 0 EEABRN Cc1nn(C)c2cnn([C@@H](C)C(=O)NCCc3ccccc3F)c12 ZINC000041124223 463468298 /nfs/dbraw/zinc/46/82/98/463468298.db2.gz PZQOKSUNCOHGJG-LBPRGKRZSA-N 0 0 329.379 2.137 40 0 EEABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000081634126 463473862 /nfs/dbraw/zinc/47/38/62/463473862.db2.gz IUHXWMPUXCDALP-NSHDSACASA-N 0 0 349.822 2.372 40 0 EEABRN C[C@@]1(C(=O)NCc2ccccn2)Oc2ccc(Cl)cc2NC1=O ZINC000041549941 463493973 /nfs/dbraw/zinc/49/39/73/463493973.db2.gz QDFYTFOGRIDMTF-INIZCTEOSA-N 0 0 331.759 2.141 40 0 EEABRN O=C(NCCN(Cc1c[nH]cn1)Cc1ccccn1)c1cccs1 ZINC000057797338 463519816 /nfs/dbraw/zinc/51/98/16/463519816.db2.gz HSVUBPYGOSEVOW-UHFFFAOYSA-N 0 0 341.440 2.298 40 0 EEABRN Cc1ccc([C@@H]2CSCCN2Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000083198376 463539760 /nfs/dbraw/zinc/53/97/60/463539760.db2.gz ZCZBIAGXCGNGMQ-AWEZNQCLSA-N 0 0 344.488 2.118 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2nccn2CCc2ccccc2)C[C@@H](C)O1 ZINC000083669022 463553931 /nfs/dbraw/zinc/55/39/31/463553931.db2.gz PSWJOYMCCDLMRG-HZPDHXFCSA-N 0 0 342.443 2.445 40 0 EEABRN COc1c(C)cnc(CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)c1C ZINC000084093917 463576889 /nfs/dbraw/zinc/57/68/89/463576889.db2.gz RWTGTNCHMXBISM-GJZGRUSLSA-N 0 0 326.462 2.105 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000107711131 463580016 /nfs/dbraw/zinc/58/00/16/463580016.db2.gz ABXARPASTHKIKJ-IRXDYDNUSA-N 0 0 339.457 2.201 40 0 EEABRN CC(C)(C)C(=O)NCCNC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000084157648 463582541 /nfs/dbraw/zinc/58/25/41/463582541.db2.gz PSPGAZIFEBNVPP-UHFFFAOYSA-N 0 0 339.386 2.195 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000108043756 463588214 /nfs/dbraw/zinc/58/82/14/463588214.db2.gz YHQXIONQMJRWTM-ZIAGYGMSSA-N 0 0 326.462 2.373 40 0 EEABRN COc1ccc(CSCc2cc(=O)n(C)c(=O)n2C)c(Cl)c1 ZINC000084495349 463607193 /nfs/dbraw/zinc/60/71/93/463607193.db2.gz JYNZPIKVDIYDPU-UHFFFAOYSA-N 0 0 340.832 2.179 40 0 EEABRN Cc1ccccc1CNC(=O)Cn1cc(Br)ccc1=O ZINC000044870407 463696805 /nfs/dbraw/zinc/69/68/05/463696805.db2.gz YGDFAFGYNVAIRV-UHFFFAOYSA-N 0 0 335.201 2.236 40 0 EEABRN O[C@H](COc1cccc2[nH]ccc21)Cn1nnc(-c2cccs2)n1 ZINC000193404540 463711932 /nfs/dbraw/zinc/71/19/32/463711932.db2.gz ZFVUADIWCGYXAD-NSHDSACASA-N 0 0 341.396 2.323 40 0 EEABRN NC(=O)C1(NCC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000193479461 463714503 /nfs/dbraw/zinc/71/45/03/463714503.db2.gz VAGQNFTXFACYIV-UHFFFAOYSA-N 0 0 335.407 2.057 40 0 EEABRN COCC[N@@H+]1CC[C@@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1 ZINC000257210407 463756201 /nfs/dbraw/zinc/75/62/01/463756201.db2.gz BUMFGFRPDLZNLL-AWEZNQCLSA-N 0 0 341.411 2.353 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)n2cc(COc3ccccc3)nn2)no1 ZINC000257173647 463756475 /nfs/dbraw/zinc/75/64/75/463756475.db2.gz UGASMTFJHAWAIZ-LBPRGKRZSA-N 0 0 327.344 2.353 40 0 EEABRN CN(C)C(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccncc2)s1 ZINC000257285212 463761177 /nfs/dbraw/zinc/76/11/77/463761177.db2.gz PGCPLQZTKMXCSG-LBPRGKRZSA-N 0 0 330.413 2.217 40 0 EEABRN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4cnccn4)C3)cc2n1 ZINC000257286374 463762497 /nfs/dbraw/zinc/76/24/97/463762497.db2.gz PLIGBMFJZBOQDX-AWEZNQCLSA-N 0 0 336.399 2.156 40 0 EEABRN Cc1ccsc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257295436 463767389 /nfs/dbraw/zinc/76/73/89/463767389.db2.gz QYGQGAMIWWJKGN-QGZVFWFLSA-N 0 0 331.441 2.213 40 0 EEABRN CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1 ZINC000257306098 463770407 /nfs/dbraw/zinc/77/04/07/463770407.db2.gz SSXHDWPGPRCROK-SFHVURJKSA-N 0 0 346.381 2.334 40 0 EEABRN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257308650 463772144 /nfs/dbraw/zinc/77/21/44/463772144.db2.gz TXNSQLHWCLGBPO-ZFWWWQNUSA-N 0 0 329.318 2.461 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257315409 463774376 /nfs/dbraw/zinc/77/43/76/463774376.db2.gz VBEJLJXHMGFIKI-QGZVFWFLSA-N 0 0 327.384 2.145 40 0 EEABRN Cn1cnc(C(=O)N2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)c1 ZINC000257325179 463777790 /nfs/dbraw/zinc/77/77/90/463777790.db2.gz WRVBOBHSNSYJTR-FVQHAEBGSA-N 0 0 325.412 2.488 40 0 EEABRN O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257328218 463779659 /nfs/dbraw/zinc/77/96/59/463779659.db2.gz XESDJNSVKVETLV-INIZCTEOSA-N 0 0 347.382 2.368 40 0 EEABRN CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc(NC)nc(C)n1 ZINC000257333789 463782682 /nfs/dbraw/zinc/78/26/82/463782682.db2.gz YDAYGHWLXPDMJJ-GFCCVEGCSA-N 0 0 332.433 2.218 40 0 EEABRN CN(C(=O)Cc1cccnc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257334637 463783163 /nfs/dbraw/zinc/78/31/63/463783163.db2.gz YGSYCHAYICNICY-AOIWGVFYSA-N 0 0 326.396 2.053 40 0 EEABRN c1cc2c(C[C@@H]3COCCN(Cc4cncs4)C3)nccn2c1 ZINC000257341975 463785508 /nfs/dbraw/zinc/78/55/08/463785508.db2.gz ZMPKBMSRBFRTFW-AWEZNQCLSA-N 0 0 328.441 2.482 40 0 EEABRN C[C@H](CNC(=O)N1C[C@@H](O)C[C@H]1CO)c1c(Cl)cccc1Cl ZINC000185330938 463802581 /nfs/dbraw/zinc/80/25/81/463802581.db2.gz QIUMWZLHLBTLLY-VWYCJHECSA-N 0 0 347.242 2.234 40 0 EEABRN CN1C(=O)C[C@H](NC(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000195556834 464076129 /nfs/dbraw/zinc/07/61/29/464076129.db2.gz CJPMMLKQOYAKDC-RDJZCZTQSA-N 0 0 328.343 2.233 40 0 EEABRN CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cc1 ZINC000224109816 464148269 /nfs/dbraw/zinc/14/82/69/464148269.db2.gz ZHZPJGIGYAQTOQ-UHFFFAOYSA-N 0 0 348.424 2.257 40 0 EEABRN COc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224543127 464151292 /nfs/dbraw/zinc/15/12/92/464151292.db2.gz KXZCZRUZGGAOKL-INIZCTEOSA-N 0 0 348.424 2.266 40 0 EEABRN CCCCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224864681 464152847 /nfs/dbraw/zinc/15/28/47/464152847.db2.gz VAAOJADFPACFTE-NSHDSACASA-N 0 0 348.415 2.426 40 0 EEABRN O=C(NCCC1C=NC(=O)N[C@@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000225222493 464154309 /nfs/dbraw/zinc/15/43/09/464154309.db2.gz ONHAOVBVZYOLQA-LLVKDONJSA-N 0 0 345.186 2.225 40 0 EEABRN Cc1csc(C(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)c1 ZINC000225402652 464157630 /nfs/dbraw/zinc/15/76/30/464157630.db2.gz HXLGZUKZNVSUDG-GFCCVEGCSA-N 0 0 332.429 2.206 40 0 EEABRN O=C(NCC1CCS(=O)(=O)CC1)N1CCC=C(c2ccccc2)C1 ZINC000225460683 464162226 /nfs/dbraw/zinc/16/22/26/464162226.db2.gz LSPSODOGLBHWKO-UHFFFAOYSA-N 0 0 348.468 2.310 40 0 EEABRN Cc1nn(C)c(-n2cccn2)c1C(=O)Oc1ccc2c(c1)CCC2=O ZINC000225468706 464162595 /nfs/dbraw/zinc/16/25/95/464162595.db2.gz ZVKOJADBSVTJNZ-UHFFFAOYSA-N 0 0 336.351 2.262 40 0 EEABRN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCc1ccc[nH]1 ZINC000225482726 464164749 /nfs/dbraw/zinc/16/47/49/464164749.db2.gz LJDNGJZHCVCTKW-WCQYABFASA-N 0 0 325.384 2.021 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000225492927 464167075 /nfs/dbraw/zinc/16/70/75/464167075.db2.gz GRWWWUUDKSWXDR-GFCCVEGCSA-N 0 0 333.413 2.159 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)C1 ZINC000225556962 464171284 /nfs/dbraw/zinc/17/12/84/464171284.db2.gz ZAAPBERQMJYCFQ-OLZOCXBDSA-N 0 0 349.818 2.354 40 0 EEABRN CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 ZINC000225602004 464174782 /nfs/dbraw/zinc/17/47/82/464174782.db2.gz UCVMVECPMQDWJD-SFHVURJKSA-N 0 0 336.432 2.151 40 0 EEABRN C[C@@H](O)c1ccc(C2(CNC(=O)c3cn(C)nn3)CCCC2)s1 ZINC000225682718 464179059 /nfs/dbraw/zinc/17/90/59/464179059.db2.gz BTEIKRFDOMXESX-LLVKDONJSA-N 0 0 334.445 2.172 40 0 EEABRN CC1(C)[C@H](NC(=O)NCc2nccn2CC(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000230153366 464203768 /nfs/dbraw/zinc/20/37/68/464203768.db2.gz JOHQNPYPGGMGAZ-MVWJERBFSA-N 0 0 346.353 2.058 40 0 EEABRN CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)cc1F ZINC000188148276 464210123 /nfs/dbraw/zinc/21/01/23/464210123.db2.gz UDJGSTLBMJDLBG-ZDUSSCGKSA-N 0 0 329.322 2.482 40 0 EEABRN CC(C)c1nc(Oc2cccc(S(C)(=O)=O)c2)nc(N(C)C)n1 ZINC000271028480 464276206 /nfs/dbraw/zinc/27/62/06/464276206.db2.gz CMHSZUPQFRIJGD-UHFFFAOYSA-N 0 0 336.417 2.257 40 0 EEABRN C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000174338389 464396283 /nfs/dbraw/zinc/39/62/83/464396283.db2.gz HFAPLVLRQVLHAO-ZIAGYGMSSA-N 0 0 338.411 2.340 40 0 EEABRN CO[C@@H]1CCN(c2ccc(C(=O)NCCn3nc(C)cc3C)cc2)C1 ZINC000240002215 464445786 /nfs/dbraw/zinc/44/57/86/464445786.db2.gz PPGFUZZXJGDBOU-GOSISDBHSA-N 0 0 342.443 2.155 40 0 EEABRN O=C(COc1ccccc1Cl)NC[C@H]1CCCN1c1cccnn1 ZINC000241435175 464452517 /nfs/dbraw/zinc/45/25/17/464452517.db2.gz NLJDQMKJULJLIO-CYBMUJFWSA-N 0 0 346.818 2.294 40 0 EEABRN Cc1noc(C)c1C(=O)NC[C@@H](c1ccco1)N1CCSCC1 ZINC000244986172 464466309 /nfs/dbraw/zinc/46/63/09/464466309.db2.gz JIYXIQJZBHIYMD-ZDUSSCGKSA-N 0 0 335.429 2.404 40 0 EEABRN CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS1 ZINC000175603404 464584003 /nfs/dbraw/zinc/58/40/03/464584003.db2.gz RNMZICLKYTVIFR-ZFWWWQNUSA-N 0 0 348.468 2.351 40 0 EEABRN COC(=O)C1(CNC(=O)Cc2cccc(Br)c2C)CC1 ZINC000190404826 464636979 /nfs/dbraw/zinc/63/69/79/464636979.db2.gz COPRUFULGGTTQI-UHFFFAOYSA-N 0 0 340.217 2.369 40 0 EEABRN CC(=O)Nc1nc(C(=O)Nc2ncn(C3CCCCC3)n2)cs1 ZINC000182669906 464706031 /nfs/dbraw/zinc/70/60/31/464706031.db2.gz JQQYFJUGCFIWFJ-UHFFFAOYSA-N 0 0 334.405 2.451 40 0 EEABRN CCOc1ccc(CCC(=O)N2CC3(C2)OCC[C@H]3COC)cc1 ZINC000247823537 464708391 /nfs/dbraw/zinc/70/83/91/464708391.db2.gz DVOIBPLINOACKD-INIZCTEOSA-N 0 0 333.428 2.282 40 0 EEABRN COCC[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cccn21 ZINC000247826270 464709649 /nfs/dbraw/zinc/70/96/49/464709649.db2.gz FZCZPSJAIKGABY-HNNXBMFYSA-N 0 0 342.395 2.493 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)c1 ZINC000247924634 464714889 /nfs/dbraw/zinc/71/48/89/464714889.db2.gz OWMVOAYOWAVIRL-INIZCTEOSA-N 0 0 339.395 2.095 40 0 EEABRN C[C@@H]1C[C@H](NS(=O)(=O)CC[C@H]2CCCO2)CN1c1ccccc1 ZINC000247953615 464716878 /nfs/dbraw/zinc/71/68/78/464716878.db2.gz ZADVGQBFNDMESL-HLLBOEOZSA-N 0 0 338.473 2.142 40 0 EEABRN c1ccc(CN2CC3(C2)C[C@H](OCc2cccnc2)CCO3)nc1 ZINC000247980012 464718928 /nfs/dbraw/zinc/71/89/28/464718928.db2.gz XHCSPIAECGQUJX-GOSISDBHSA-N 0 0 325.412 2.427 40 0 EEABRN Cc1cncc(C(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)c1 ZINC000248007204 464722892 /nfs/dbraw/zinc/72/28/92/464722892.db2.gz CMNQFJQMTNXLLW-KRWDZBQOSA-N 0 0 340.427 2.290 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](COc2ccccn2)CC[N@H+]3C)no1 ZINC000248105856 464730020 /nfs/dbraw/zinc/73/00/20/464730020.db2.gz FUQCDNJMVRWKBB-INIZCTEOSA-N 0 0 342.443 2.353 40 0 EEABRN C[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)Cc1cccs1 ZINC000192188475 464882122 /nfs/dbraw/zinc/88/21/22/464882122.db2.gz GXISMQSDGCPVLR-OLZOCXBDSA-N 0 0 344.502 2.003 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](Oc2cccnc2)CS3)cn1 ZINC000249697111 464904353 /nfs/dbraw/zinc/90/43/53/464904353.db2.gz UHQKGZLAYSXYTR-INIZCTEOSA-N 0 0 330.457 2.437 40 0 EEABRN COC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C[C@H](C)O1 ZINC000251665609 464939281 /nfs/dbraw/zinc/93/92/81/464939281.db2.gz IFIKQYWGXFILFK-FSXCVOIBSA-N 0 0 330.428 2.160 40 0 EEABRN C[C@H](C(=O)N[C@H]1c2ccccc2CC[C@@H]1CO)N(C)CC(F)(F)F ZINC000252550607 464983379 /nfs/dbraw/zinc/98/33/79/464983379.db2.gz SVFWLCDOJOZWEK-UXIGCNINSA-N 0 0 344.377 2.281 40 0 EEABRN Cc1noc(C)c1CC(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 ZINC000252572621 464983867 /nfs/dbraw/zinc/98/38/67/464983867.db2.gz ZNJMUTMAJSFOFA-HDJSIYSDSA-N 0 0 330.388 2.130 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000253370884 464994787 /nfs/dbraw/zinc/99/47/87/464994787.db2.gz XNTCOOOPRCOQFE-NUTKFTJISA-N 0 0 336.407 2.384 40 0 EEABRN Brc1cnn(C2CCN(Cc3csnn3)CC2)c1 ZINC000253393902 464998610 /nfs/dbraw/zinc/99/86/10/464998610.db2.gz CMRBDODFXSXUIX-UHFFFAOYSA-N 0 0 328.239 2.334 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000253419809 465007676 /nfs/dbraw/zinc/00/76/76/465007676.db2.gz JAQLUWHKMDGQLF-MRXNPFEDSA-N 0 0 342.447 2.318 40 0 EEABRN CC(C)(C)c1nnc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)s1 ZINC000253431911 465014621 /nfs/dbraw/zinc/01/46/21/465014621.db2.gz VINGDECFYAKSQG-GFCCVEGCSA-N 0 0 348.476 2.406 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000339548336 465340467 /nfs/dbraw/zinc/34/04/67/465340467.db2.gz LBFFYOGDKDQNJC-UHFFFAOYSA-N 0 0 346.814 2.324 40 0 EEABRN COc1ccc(NC(=O)CN2CCN(c3cnccc3C)CC2)cc1 ZINC000330032295 465512078 /nfs/dbraw/zinc/51/20/78/465512078.db2.gz LQRHLENOTBADCH-UHFFFAOYSA-N 0 0 340.427 2.159 40 0 EEABRN O=C(COc1ccc(C2SCCS2)cc1)N1CCOCC1 ZINC000408566871 466681071 /nfs/dbraw/zinc/68/10/71/466681071.db2.gz BFBQPCHQNHHNJZ-UHFFFAOYSA-N 0 0 325.455 2.403 40 0 EEABRN O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc(F)cc1Cl ZINC000390829257 467412519 /nfs/dbraw/zinc/41/25/19/467412519.db2.gz XVVAHFNGOVYLKS-UHFFFAOYSA-N 0 0 335.766 2.343 40 0 EEABRN CCN(Cc1ccccc1NC(=O)NCc1cc(C)nn1C)C(C)=O ZINC000390835138 467415318 /nfs/dbraw/zinc/41/53/18/467415318.db2.gz DLHBUPHCRYQTKA-UHFFFAOYSA-N 0 0 343.431 2.419 40 0 EEABRN c1csc(CN2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000575244289 468138740 /nfs/dbraw/zinc/13/87/40/468138740.db2.gz VIBPNHTVURABPG-VYDXJSESSA-N 0 0 331.441 2.487 40 0 EEABRN O=C(NCc1ccccn1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000575413809 468142807 /nfs/dbraw/zinc/14/28/07/468142807.db2.gz DOAJDEDQVWHVEZ-UHFFFAOYSA-N 0 0 345.406 2.291 40 0 EEABRN Cc1nc2ccc(NC(=S)N[C@@H]3C=CS(=O)(=O)C3)cc2s1 ZINC000575420819 468143829 /nfs/dbraw/zinc/14/38/29/468143829.db2.gz FHVWPOCXDPVBRG-SNVBAGLBSA-N 0 0 339.467 2.202 40 0 EEABRN O=C(c1ccnc2ccccc21)N1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093224 468962984 /nfs/dbraw/zinc/96/29/84/468962984.db2.gz JXBOMMLBHMEJJS-QGZVFWFLSA-N 0 0 345.349 2.222 40 0 EEABRN COc1cccc(CN2C(=O)N[C@@](C)(c3cnccn3)C2=O)c1Cl ZINC000585093543 468963347 /nfs/dbraw/zinc/96/33/47/468963347.db2.gz RXIGDJDQXBJAHD-INIZCTEOSA-N 0 0 346.774 2.106 40 0 EEABRN Cc1cccc(C(=O)N2CCn3cc(CC(=O)N(C)C)nc3[C@@H]2C)c1 ZINC000585096600 468964303 /nfs/dbraw/zinc/96/43/03/468964303.db2.gz VNJPNSFIOJMKFS-AWEZNQCLSA-N 0 0 340.427 2.039 40 0 EEABRN CC(C)N1C[C@]2(CC1=O)COCCN(c1ncnc3ccsc31)C2 ZINC000585103261 468970609 /nfs/dbraw/zinc/97/06/09/468970609.db2.gz APXDUEYUYIDUGW-QGZVFWFLSA-N 0 0 346.456 2.155 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585275574 468998993 /nfs/dbraw/zinc/99/89/93/468998993.db2.gz DDWGUPUGWDXKBY-IBGZPJMESA-N 0 0 345.370 2.247 40 0 EEABRN Cc1ccccc1OC[C@]1(O)COCCN(Cc2ncccc2C)C1 ZINC000585275278 468999220 /nfs/dbraw/zinc/99/92/20/468999220.db2.gz BVAQNANFYYCCFF-HXUWFJFHSA-N 0 0 342.439 2.341 40 0 EEABRN CNC(=O)C[C@]1(COC)CCCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000585276611 469000671 /nfs/dbraw/zinc/00/06/71/469000671.db2.gz BOCCGJICPXUIPG-SFHVURJKSA-N 0 0 348.418 2.001 40 0 EEABRN O=C(Cc1ccncc1)N1CCC[C@](O)(COc2ccccc2)C1 ZINC000585279536 469006692 /nfs/dbraw/zinc/00/66/92/469006692.db2.gz ZLJYGVAXWITNAS-LJQANCHMSA-N 0 0 326.396 2.057 40 0 EEABRN O=C(NCCCc1ccccc1)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390826744 485668050 /nfs/dbraw/zinc/66/80/50/485668050.db2.gz BMBXHFFJCGKCIU-INIZCTEOSA-N 0 0 344.390 2.411 40 0 EEABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CC[C@H](O)C2=O ZINC000036371966 500914440 /nfs/dbraw/zinc/91/44/40/500914440.db2.gz VVINKEMRHIOYTI-PUWTWUJOSA-N 0 0 334.456 2.499 40 0 EEABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCCc1cccc(C)c1)CC2 ZINC000162670800 527958290 /nfs/dbraw/zinc/95/82/90/527958290.db2.gz YRMODROWOSQCGE-ZWKOTPCHSA-N 0 0 346.471 2.499 40 0 EEABRN CC(C)c1ccc(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000182503353 528125545 /nfs/dbraw/zinc/12/55/45/528125545.db2.gz LVZIXHAVXUUZEE-GFCCVEGCSA-N 0 0 325.352 2.354 40 0 EEABRN CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000113940196 528187459 /nfs/dbraw/zinc/18/74/59/528187459.db2.gz CATRQEBVHIFWPO-MRVPVSSYSA-N 0 0 339.244 2.284 40 0 EEABRN CCOc1cc(NC2CCN(C(=O)Nc3ccccn3)CC2)ncn1 ZINC000184185384 528324236 /nfs/dbraw/zinc/32/42/36/528324236.db2.gz YOBMQTWKCJIAFY-UHFFFAOYSA-N 0 0 342.403 2.379 40 0 EEABRN CCn1cc(Br)c(C(=O)N(C)Cc2ccnn2CC)n1 ZINC000028234032 1352374041 /nfs/dbraw/zinc/37/40/41/1352374041.db2.gz WLEXAYCZIBCAOX-UHFFFAOYSA-N 0 0 340.225 2.154 40 0 EEABRN CNC(=O)Cn1c2sc(C)nc2c(-c2ccc(Cl)cc2)nc1=O ZINC000032616612 1352383062 /nfs/dbraw/zinc/38/30/62/1352383062.db2.gz JWPRWXVTMCYGTO-UHFFFAOYSA-N 0 0 348.815 2.228 40 0 EEABRN CC(C)(C)n1ncc2c1ncnc2N1CCC[C@@H](n2ccnn2)CC1 ZINC000822289335 798650729 /nfs/dbraw/zinc/65/07/29/798650729.db2.gz PBEJPAFBJPGBFU-CYBMUJFWSA-N 0 0 340.435 2.404 40 0 EEABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)NCc1ccccc1)C2=O ZINC000054645224 214247191 /nfs/dbraw/zinc/24/71/91/214247191.db2.gz WZHVOWWXCMAVGB-IFXJQAMLSA-N 0 0 328.412 2.114 40 0 EEABRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cnns1 ZINC000242155922 295675434 /nfs/dbraw/zinc/67/54/34/295675434.db2.gz WUJFOACJPPZADI-HOCLYGCPSA-N 0 0 335.404 2.181 40 0 EEABRN CN1CCO[C@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677540 529787222 /nfs/dbraw/zinc/78/72/22/529787222.db2.gz PGBUYFCAILKPLX-ZDUSSCGKSA-N 0 0 346.349 2.267 40 0 EEABRN O=C(c1ccccn1)N1[C@@H]2CC[C@H]1C[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000100752912 219105635 /nfs/dbraw/zinc/10/56/35/219105635.db2.gz VIDITUKVPAMHLY-IKDJWVMYSA-N 0 0 348.406 2.400 40 0 EEABRN CCOCCCNC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000004411509 210188916 /nfs/dbraw/zinc/18/89/16/210188916.db2.gz UPYXCWXFJPZZFY-OAHLLOKOSA-N 0 0 325.453 2.036 40 0 EEABRN COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(C)nn1C)n2C ZINC000101025621 219114216 /nfs/dbraw/zinc/11/42/16/219114216.db2.gz ULVJTUNHQFYLDP-MSUUIHNZSA-N 0 0 346.412 2.040 40 0 EEABRN COc1ccc(CNC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000064799621 214805664 /nfs/dbraw/zinc/80/56/64/214805664.db2.gz OQCZJPGWMYDDJO-UHFFFAOYSA-N 0 0 338.367 2.389 40 0 EEABRN COc1ccc(N2C(=O)C[C@H](Nc3ccccc3OC)C2=O)cc1 ZINC000101275970 219120408 /nfs/dbraw/zinc/12/04/08/219120408.db2.gz XYIRNYKXTKNTDW-HNNXBMFYSA-N 0 0 326.352 2.448 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc(N)c(Br)c2)CC1 ZINC000066133990 215015950 /nfs/dbraw/zinc/01/59/50/215015950.db2.gz WCMZLZYGLODOSL-UHFFFAOYSA-N 0 0 333.251 2.452 40 0 EEABRN O=C(OCCCn1cccn1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000066730785 215074317 /nfs/dbraw/zinc/07/43/17/215074317.db2.gz QYHDPTKHRVRACK-KRWDZBQOSA-N 0 0 341.411 2.369 40 0 EEABRN NC1=NN(c2ccccc2)C(=O)C1=CNC(=S)NC1CCCCC1 ZINC000104304302 219372436 /nfs/dbraw/zinc/37/24/36/219372436.db2.gz VCMKODFMCZOALG-KAMYIIQDSA-N 0 0 343.456 2.196 40 0 EEABRN C[C@H]1[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCC[C@@H]1C ZINC000068969115 215350036 /nfs/dbraw/zinc/35/00/36/215350036.db2.gz OYMSIWSLPQIIGE-ZVDSWSACSA-N 0 0 334.460 2.493 40 0 EEABRN CCN(CC(=O)NC(C)C)C(=O)CCOc1ccc(Cl)cc1 ZINC000040107326 213265906 /nfs/dbraw/zinc/26/59/06/213265906.db2.gz OGIVTYYMLKIKDF-UHFFFAOYSA-N 0 0 326.824 2.482 40 0 EEABRN COC[C@@H](C)NC(=O)COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000039561867 213241410 /nfs/dbraw/zinc/24/14/10/213241410.db2.gz MJBFZIIVGCOOOY-WDEREUQCSA-N 0 0 349.456 2.346 40 0 EEABRN O=C(c1ccc(F)cc1F)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000038490035 213211292 /nfs/dbraw/zinc/21/12/92/213211292.db2.gz CWNNNBGWORHLGG-NWDGAFQWSA-N 0 0 330.334 2.386 40 0 EEABRN Cc1cnc(CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)s1 ZINC000187361460 236189548 /nfs/dbraw/zinc/18/95/48/236189548.db2.gz YQIHCPKZMQEERV-UHFFFAOYSA-N 0 0 346.437 2.387 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NCCc1nc(C)cs1 ZINC000072243050 216082463 /nfs/dbraw/zinc/08/24/63/216082463.db2.gz WDMSPLBVUVOULZ-UHFFFAOYSA-N 0 0 326.443 2.290 40 0 EEABRN OC1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)CC1 ZINC000072324886 216151216 /nfs/dbraw/zinc/15/12/16/216151216.db2.gz ZGPZEDPKMOXLCK-MRXNPFEDSA-N 0 0 326.400 2.351 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(c3cnccn3)C2)n1 ZINC000072359991 216166257 /nfs/dbraw/zinc/16/62/57/216166257.db2.gz LROIFWOTIRKCHZ-CQSZACIVSA-N 0 0 348.414 2.493 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072379162 216180699 /nfs/dbraw/zinc/18/06/99/216180699.db2.gz ACLJFWUHCUQPFZ-MRXNPFEDSA-N 0 0 335.404 2.303 40 0 EEABRN Cc1cc(O[C@@H](C)C(=O)NCCN2CCOCC2)cc(C)c1Cl ZINC000408705985 238297751 /nfs/dbraw/zinc/29/77/51/238297751.db2.gz SCAXHGQKWUSYCV-AWEZNQCLSA-N 0 0 340.851 2.173 40 0 EEABRN Cn1cccc1[C@@H]1CCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000072832175 216312470 /nfs/dbraw/zinc/31/24/70/216312470.db2.gz VSYBSVAHWISOCO-HNNXBMFYSA-N 0 0 343.431 2.209 40 0 EEABRN CN(Cc1cccs1)C(=O)COc1cccc(-n2cncn2)c1 ZINC000072921011 216328447 /nfs/dbraw/zinc/32/84/47/216328447.db2.gz QORFDLCYVCXQKN-UHFFFAOYSA-N 0 0 328.397 2.366 40 0 EEABRN Cc1ncc(/C=C/C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)s1 ZINC000073118989 216352507 /nfs/dbraw/zinc/35/25/07/216352507.db2.gz YDGKDPUJOIEUSL-UFFNRZRYSA-N 0 0 336.486 2.100 40 0 EEABRN NC(=O)CC[C@H]1CCCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000073290225 216373654 /nfs/dbraw/zinc/37/36/54/216373654.db2.gz XBYFUBFJWGSDEI-CQSZACIVSA-N 0 0 341.411 2.388 40 0 EEABRN CCN(CC)S(=O)(=O)CC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000073934820 216437095 /nfs/dbraw/zinc/43/70/95/216437095.db2.gz UCGXTMXKBRAVNS-UHFFFAOYSA-N 0 0 344.864 2.117 40 0 EEABRN Cc1cc(N2CCC(C)CC2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000225909512 242076240 /nfs/dbraw/zinc/07/62/40/242076240.db2.gz ZAINWHUPPOOTDO-CQSZACIVSA-N 0 0 349.504 2.487 40 0 EEABRN COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1Cl ZINC000225953003 242080122 /nfs/dbraw/zinc/08/01/22/242080122.db2.gz WWZITZBUSFYNNG-AWEZNQCLSA-N 0 0 346.836 2.101 40 0 EEABRN CNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225983218 242082991 /nfs/dbraw/zinc/08/29/91/242082991.db2.gz YFWRVMFEKUCLMI-UHFFFAOYSA-N 0 0 332.425 2.109 40 0 EEABRN Cc1ccc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)s1 ZINC000245312465 243103488 /nfs/dbraw/zinc/10/34/88/243103488.db2.gz JKEAWNWNRZMGEU-CYZMBNFOSA-N 0 0 344.502 2.205 40 0 EEABRN C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)n1cncn1 ZINC000245344001 243104181 /nfs/dbraw/zinc/10/41/81/243104181.db2.gz WXGFITRGAXDAAH-FZQKWOKYSA-N 0 0 338.770 2.278 40 0 EEABRN CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076500840 216781653 /nfs/dbraw/zinc/78/16/53/216781653.db2.gz COARMXOOMFSNSL-NWDGAFQWSA-N 0 0 330.837 2.163 40 0 EEABRN Cc1nc([C@@H]2CN(c3nc(-c4ccc(C)cc4)no3)CCO2)no1 ZINC000253426465 243965775 /nfs/dbraw/zinc/96/57/75/243965775.db2.gz QHERLVFXKKPJRQ-ZDUSSCGKSA-N 0 0 327.344 2.314 40 0 EEABRN C[C@H]1CN(C(=O)NCCc2ccc(F)c(F)c2)C[C@]2(CCOC2)O1 ZINC000253430006 243978952 /nfs/dbraw/zinc/97/89/52/243978952.db2.gz WRGRKLCZARWKRZ-SJCJKPOMSA-N 0 0 340.370 2.097 40 0 EEABRN CNc1nccnc1[C@@H]1CN(CCCOc2ccccc2F)CCO1 ZINC000257200792 244118322 /nfs/dbraw/zinc/11/83/22/244118322.db2.gz AEXNZUSQBKGEDO-INIZCTEOSA-N 0 0 346.406 2.500 40 0 EEABRN C[C@@]1(c2ncc(CNC(=O)CCCn3ccnc3)cn2)CCCCO1 ZINC000257202569 244124304 /nfs/dbraw/zinc/12/43/04/244124304.db2.gz AMKJJWBWWDIGHL-SFHVURJKSA-N 0 0 343.431 2.185 40 0 EEABRN COc1ccc(CC(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cc1 ZINC000257204807 244129114 /nfs/dbraw/zinc/12/91/14/244129114.db2.gz AWISNQBJZMWNRA-GOSISDBHSA-N 0 0 341.411 2.245 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ccsc2)n1 ZINC000257214114 244161222 /nfs/dbraw/zinc/16/12/22/244161222.db2.gz CKOBPFYVFXFNBN-OAHLLOKOSA-N 0 0 330.413 2.152 40 0 EEABRN Cc1cc(C)nc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CCO2)n1 ZINC000257223942 244195702 /nfs/dbraw/zinc/19/57/02/244195702.db2.gz DZPLACLCLBTBOW-HNNXBMFYSA-N 0 0 337.383 2.183 40 0 EEABRN CC(=O)N1CC[C@H](Cc2nccnc2C(=O)N(C)C2CCCCC2)C1 ZINC000257241204 244244502 /nfs/dbraw/zinc/24/45/02/244244502.db2.gz HXBYQQOXULPYRD-OAHLLOKOSA-N 0 0 344.459 2.292 40 0 EEABRN Cc1cc(N2CCOC2=O)nc([C@H]2CCCN2C(=O)C(C)(C)C)n1 ZINC000257257761 244286818 /nfs/dbraw/zinc/28/68/18/244286818.db2.gz KQYZBLMOOYDZOB-GFCCVEGCSA-N 0 0 332.404 2.451 40 0 EEABRN O=C(c1cc[nH]n1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257266720 244363263 /nfs/dbraw/zinc/36/32/63/244363263.db2.gz MEEOSPGCJFGIOX-WMZOPIPTSA-N 0 0 327.384 2.000 40 0 EEABRN Cc1cccc(N2CCC[C@@H](NS(=O)(=O)c3cccs3)C2)n1 ZINC000257266927 244364967 /nfs/dbraw/zinc/36/49/67/244364967.db2.gz MFENNIHNHWVWQO-CYBMUJFWSA-N 0 0 337.470 2.399 40 0 EEABRN CCc1nccn1CCC(=O)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257268431 244367277 /nfs/dbraw/zinc/36/72/77/244367277.db2.gz MLQSTRJCTMMGEC-OAHLLOKOSA-N 0 0 343.431 2.184 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCc2cn(C)nc2C)nc(C)n1 ZINC000257267765 244368203 /nfs/dbraw/zinc/36/82/03/244368203.db2.gz MIRLUUGIHGBQPT-INIZCTEOSA-N 0 0 342.447 2.165 40 0 EEABRN Cn1nccc1CCC(=O)N1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257270559 244375962 /nfs/dbraw/zinc/37/59/62/244375962.db2.gz MUSHIFDJHVPGIC-KRWDZBQOSA-N 0 0 335.411 2.333 40 0 EEABRN CC(=O)N1CCC[C@@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 ZINC000257279477 244399978 /nfs/dbraw/zinc/39/99/78/244399978.db2.gz OGVVDOVMSZVCKF-HNNXBMFYSA-N 0 0 327.432 2.295 40 0 EEABRN Cc1csc(Nc2cc([C@@H]3CC[N@H+](CC(=O)[O-])C3)nc(C)n2)n1 ZINC000257295100 244445492 /nfs/dbraw/zinc/44/54/92/244445492.db2.gz QWZGJRWJWBGSPL-LLVKDONJSA-N 0 0 333.417 2.167 40 0 EEABRN CCc1noc(C)c1C(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257318776 244511350 /nfs/dbraw/zinc/51/13/50/244511350.db2.gz VPHVEUHEWKEYNP-HNNXBMFYSA-N 0 0 344.415 2.118 40 0 EEABRN CCn1ccc(NC(=O)C[C@H]2CCCN(C(=O)c3coc(C)n3)C2)n1 ZINC000257335754 244560409 /nfs/dbraw/zinc/56/04/09/244560409.db2.gz YLSLJWDKQNFALJ-CYBMUJFWSA-N 0 0 345.403 2.080 40 0 EEABRN CN(C)C(=O)CCCn1ccc(NC(=O)NCc2cccc(F)c2)n1 ZINC000077517059 216925736 /nfs/dbraw/zinc/92/57/36/216925736.db2.gz CLHLSBHRHMRWRL-UHFFFAOYSA-N 0 0 347.394 2.212 40 0 EEABRN CC(=O)N1CCc2nnc([C@@H]3CCCN3Cc3ccccc3)n2CC1 ZINC000019710742 212056884 /nfs/dbraw/zinc/05/68/84/212056884.db2.gz RZNVJJVUWULSCL-KRWDZBQOSA-N 0 0 339.443 2.020 40 0 EEABRN CNC(=O)c1ccc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)nc1 ZINC000019705610 212055722 /nfs/dbraw/zinc/05/57/22/212055722.db2.gz ZECCXEBNUXTQQO-AWEZNQCLSA-N 0 0 342.399 2.066 40 0 EEABRN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)N1CCOCC1 ZINC000019596385 212050440 /nfs/dbraw/zinc/05/04/40/212050440.db2.gz FPABLWWDDHIULJ-UHFFFAOYSA-N 0 0 340.408 2.413 40 0 EEABRN Cc1nn(C)cc1CN1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583878 212046774 /nfs/dbraw/zinc/04/67/74/212046774.db2.gz PYZKLMDINUAJHM-MRXNPFEDSA-N 0 0 339.399 2.352 40 0 EEABRN COc1ccc([C@@H](C)NC(=O)c2cnc(N(C)C)nc2C)cc1F ZINC000019552744 212040640 /nfs/dbraw/zinc/04/06/40/212040640.db2.gz IXQAVGMPPPJYOU-SNVBAGLBSA-N 0 0 332.379 2.490 40 0 EEABRN C[C@H](Cn1cncn1)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019457801 212029322 /nfs/dbraw/zinc/02/93/22/212029322.db2.gz SAHQQBYFMJACCU-CABCVRRESA-N 0 0 346.406 2.371 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000019405542 212025085 /nfs/dbraw/zinc/02/50/85/212025085.db2.gz WAPZGVFQRFNCQE-MRXNPFEDSA-N 0 0 347.378 2.204 40 0 EEABRN O=C(NCCn1nc2c(cc1=O)CCCCC2)c1ccccc1F ZINC000019347756 212019166 /nfs/dbraw/zinc/01/91/66/212019166.db2.gz PLLCHVMWSCAWQC-UHFFFAOYSA-N 0 0 329.375 2.081 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2nccs2)C1 ZINC000078111996 217023937 /nfs/dbraw/zinc/02/39/37/217023937.db2.gz FARKVNLOAROHQM-CHWSQXEVSA-N 0 0 338.477 2.398 40 0 EEABRN CN(C(=O)c1cscn1)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289557 212011978 /nfs/dbraw/zinc/01/19/78/212011978.db2.gz WHXUHONMGPJDRW-UHFFFAOYSA-N 0 0 331.426 2.375 40 0 EEABRN COCCN1C[C@H](C(=O)O[C@@H]2CSCc3ccccc32)CC1=O ZINC000078442698 217053386 /nfs/dbraw/zinc/05/33/86/217053386.db2.gz UGNDKJZGGYGOKJ-UKRRQHHQSA-N 0 0 335.425 2.013 40 0 EEABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)N2CCCC2)C1)N1CCCC1 ZINC000019075328 211998764 /nfs/dbraw/zinc/99/87/64/211998764.db2.gz CHEMOFBOSHKYEQ-IYBDPMFKSA-N 0 0 336.480 2.404 40 0 EEABRN O=C(CN1CCC[C@H]1COc1ccccc1)NCc1ccccn1 ZINC000079090749 217190792 /nfs/dbraw/zinc/19/07/92/217190792.db2.gz QHOOIJSEVQZUIO-KRWDZBQOSA-N 0 0 325.412 2.241 40 0 EEABRN Cc1noc(Cl)c1CC(=O)NC[C@@](C)(O)c1ccc(F)cc1F ZINC000079350038 217212373 /nfs/dbraw/zinc/21/23/73/217212373.db2.gz YYDDAAXXEYQUEU-OAHLLOKOSA-N 0 0 344.745 2.481 40 0 EEABRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000080695638 217325628 /nfs/dbraw/zinc/32/56/28/217325628.db2.gz SREBVILWCRRFBV-QWHCGFSZSA-N 0 0 338.477 2.368 40 0 EEABRN Cc1ccc(CNC(=O)NCC(=O)N2CCCC2)c(N2CCCC2)c1 ZINC000087026178 217707257 /nfs/dbraw/zinc/70/72/57/217707257.db2.gz QRYAESXZXAXVEO-UHFFFAOYSA-N 0 0 344.459 2.017 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](c2nnsc2-c2cc(C)no2)C1 ZINC000012276090 211332710 /nfs/dbraw/zinc/33/27/10/211332710.db2.gz AYRPYTYFHJIRLI-SNVBAGLBSA-N 0 0 342.446 2.031 40 0 EEABRN CC(=O)c1csc(NC(=O)C[C@@H]2c3ccccc3N(C)C2=O)n1 ZINC000012198172 211317037 /nfs/dbraw/zinc/31/70/37/211317037.db2.gz TXFNUHZDLLBZHS-LLVKDONJSA-N 0 0 329.381 2.435 40 0 EEABRN CC(C)[C@H](NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000012200431 211319480 /nfs/dbraw/zinc/31/94/80/211319480.db2.gz QWHDZZMZKAILCW-PWSUYJOCSA-N 0 0 337.445 2.280 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)c1cc2ccccc2oc1=O ZINC000012145070 211305164 /nfs/dbraw/zinc/30/51/64/211305164.db2.gz IOLGJAFSYWMYFK-GFCCVEGCSA-N 0 0 348.362 2.356 40 0 EEABRN Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000012116424 211295985 /nfs/dbraw/zinc/29/59/85/211295985.db2.gz KWCMBHIYJWBXLR-CABCVRRESA-N 0 0 342.443 2.085 40 0 EEABRN C[C@H](c1cccc(F)c1)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000012113270 211293306 /nfs/dbraw/zinc/29/33/06/211293306.db2.gz HGLDFIPRKULXHC-GFCCVEGCSA-N 0 0 325.347 2.352 40 0 EEABRN C[C@H](CN1C[C@@H](C)O[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008025 218102653 /nfs/dbraw/zinc/10/26/53/218102653.db2.gz IYIJQBFBVDUAHL-GYSYKLTISA-N 0 0 341.249 2.127 40 0 EEABRN CN(CCn1cnnc1)C(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 ZINC000095411304 218348362 /nfs/dbraw/zinc/34/83/62/218348362.db2.gz YFPIJYCVRBGDJC-IAGOWNOFSA-N 0 0 343.431 2.310 40 0 EEABRN COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)NC(C)C ZINC000008475939 210955903 /nfs/dbraw/zinc/95/59/03/210955903.db2.gz PEBUFYIPYVAGEH-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN CCNC(=O)[C@@H]1CCCN(C(=O)C(F)(F)c2ccc(OC)cc2)C1 ZINC000095439383 218382799 /nfs/dbraw/zinc/38/27/99/218382799.db2.gz HGZYBMHBTLFVAR-GFCCVEGCSA-N 0 0 340.370 2.162 40 0 EEABRN COCc1nc2n(n1)C[C@H](NC(=O)NCC1CCC(C)(C)CC1)CC2 ZINC000095443444 218387814 /nfs/dbraw/zinc/38/78/14/218387814.db2.gz CYZXNDCULRFBGA-CQSZACIVSA-N 0 0 349.479 2.255 40 0 EEABRN Cc1csc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000096104244 218597521 /nfs/dbraw/zinc/59/75/21/218597521.db2.gz BEDAOPPSPDARKB-UHFFFAOYSA-N 0 0 339.413 2.494 40 0 EEABRN O=C(COc1ccc(F)cc1)NC1CCN(c2nccs2)CC1 ZINC000096099783 218594085 /nfs/dbraw/zinc/59/40/85/218594085.db2.gz CEFWOAWDFRNXJS-UHFFFAOYSA-N 0 0 335.404 2.446 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCc1nn(C)c2c1COCC2 ZINC000096103996 218596166 /nfs/dbraw/zinc/59/61/66/218596166.db2.gz QHJWEVKZDLZCCZ-UHFFFAOYSA-N 0 0 335.791 2.085 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1cccc(F)c1)CC2 ZINC000096197423 218666643 /nfs/dbraw/zinc/66/66/43/218666643.db2.gz JDWPHNCCWWNZIZ-UHFFFAOYSA-N 0 0 342.418 2.454 40 0 EEABRN COCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccsc1 ZINC000096217395 218691485 /nfs/dbraw/zinc/69/14/85/218691485.db2.gz UHQWVDYYKRITOX-KRWDZBQOSA-N 0 0 336.457 2.382 40 0 EEABRN CN(C)c1ccc(CCNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000096408835 218760829 /nfs/dbraw/zinc/76/08/29/218760829.db2.gz HVJRVRFXWIXFPM-QHCPKHFHSA-N 0 0 339.505 2.142 40 0 EEABRN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000096418218 218781374 /nfs/dbraw/zinc/78/13/74/218781374.db2.gz DMKRVUNRQAKGHL-RRQGHBQHSA-N 0 0 335.469 2.464 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cnn(C(C)(C)C)c1)CC2 ZINC000096420933 218786120 /nfs/dbraw/zinc/78/61/20/218786120.db2.gz SSHLBERAIYKZJR-GJZGRUSLSA-N 0 0 335.448 2.030 40 0 EEABRN Cc1c(F)cccc1S(=O)(=O)NCC[S@@](=O)c1ccccc1 ZINC000096427992 218800530 /nfs/dbraw/zinc/80/05/30/218800530.db2.gz JQUJLILJTBNMRB-NRFANRHFSA-N 0 0 341.429 2.220 40 0 EEABRN CO[C@@H](CNC(=O)CNC(=O)C(C)(C)C)c1cccc(Cl)c1 ZINC000096431906 218806678 /nfs/dbraw/zinc/80/66/78/218806678.db2.gz MYRDPSKPEZPUEL-ZDUSSCGKSA-N 0 0 326.824 2.306 40 0 EEABRN CCOc1c(F)cccc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096443110 218824826 /nfs/dbraw/zinc/82/48/26/218824826.db2.gz OKEYMWHQAHCAQR-HNNXBMFYSA-N 0 0 330.359 2.051 40 0 EEABRN Cc1n[nH]c(=S)n1CCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000096437420 218817103 /nfs/dbraw/zinc/81/71/03/218817103.db2.gz WSHCMKAYYPHFAU-UHFFFAOYSA-N 0 0 333.392 2.228 40 0 EEABRN Cn1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000096448377 218831477 /nfs/dbraw/zinc/83/14/77/218831477.db2.gz RFPOZUDOXPHHMZ-CQSZACIVSA-N 0 0 334.370 2.381 40 0 EEABRN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)N1CCCC2(C1)OCCO2 ZINC000096489383 218866303 /nfs/dbraw/zinc/86/63/03/218866303.db2.gz XEEKSBLCDFFKST-GVDBMIGSSA-N 0 0 328.412 2.263 40 0 EEABRN Cn1ncc2c1CCC[C@@H]2NC(=O)NCCOc1ncccc1Cl ZINC000096473405 218851443 /nfs/dbraw/zinc/85/14/43/218851443.db2.gz HGCSCKYEZGDXMK-ZDUSSCGKSA-N 0 0 349.822 2.224 40 0 EEABRN O=c1[nH]nc(SCc2ccn(C3CCCC3)n2)n1C[C@H]1CCCO1 ZINC000096476017 218853229 /nfs/dbraw/zinc/85/32/29/218853229.db2.gz MGIGYMDPAROUKU-CQSZACIVSA-N 0 0 349.460 2.354 40 0 EEABRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCS(=O)(=O)N(C)C)o1 ZINC000096487398 218864831 /nfs/dbraw/zinc/86/48/31/218864831.db2.gz FFOVJCFPMKTQHX-JSGCOSHPSA-N 0 0 342.461 2.169 40 0 EEABRN COc1cccc(-c2c(I)cnn2CCO)c1 ZINC000096527408 218882260 /nfs/dbraw/zinc/88/22/60/218882260.db2.gz ZJJKFDBXPRCKSZ-UHFFFAOYSA-N 0 0 344.152 2.156 40 0 EEABRN Cc1cc(C(=O)NCCC[S@](C)=O)nn1-c1cccc(Cl)c1 ZINC000096495043 218872734 /nfs/dbraw/zinc/87/27/34/218872734.db2.gz GKZNSQHSORVCIT-JOCHJYFZSA-N 0 0 339.848 2.333 40 0 EEABRN C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1nccs1 ZINC000097373778 219017348 /nfs/dbraw/zinc/01/73/48/219017348.db2.gz UAHBRIFVYGBVNF-GXTWGEPZSA-N 0 0 344.440 2.351 40 0 EEABRN O=C(OC[C@H]1O[C@@H](O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004831393 210290569 /nfs/dbraw/zinc/29/05/69/210290569.db2.gz AKCFUIMCQPPMTA-BRWVUGGUSA-N 0 0 342.347 2.176 40 0 in-vitro EEABRN Cc1ccc2[nH]c([C@H]3CCCN(S(=O)(=O)[C@H]4CCOC4)C3)nc2c1 ZINC000273071066 256262738 /nfs/dbraw/zinc/26/27/38/256262738.db2.gz FQLBMCPHPADAKH-KBPBESRZSA-N 0 0 349.456 2.169 40 0 EEABRN O=C(NCc1cc(Cl)cc2c1OCC2)c1c[nH]nc1[C@@H]1CCOC1 ZINC000276473083 256436358 /nfs/dbraw/zinc/43/63/58/256436358.db2.gz ZBCPTFANRHXNRS-LLVKDONJSA-N 0 0 347.802 2.432 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@H](Oc3nccc(C)n3)C2)o1 ZINC000306133844 257921895 /nfs/dbraw/zinc/92/18/95/257921895.db2.gz MXRRHQFFDABNMC-QGZVFWFLSA-N 0 0 339.399 2.346 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2COc1ncccc1F)C1(F)CCC1 ZINC000306145006 257926036 /nfs/dbraw/zinc/92/60/36/257926036.db2.gz ZUOKWSJMBXCASV-LBPRGKRZSA-N 0 0 338.354 2.109 40 0 EEABRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N[C@H]1CCCCNC1=O ZINC000164439594 533252100 /nfs/dbraw/zinc/25/21/00/533252100.db2.gz DNSGZZCFXSMUIX-YOEHRIQHSA-N 0 0 345.443 2.083 40 0 EEABRN CN(C(=O)CN1c2ccccc2C2=NCCN2C1=O)C1CCCCC1 ZINC000057731402 132201359 /nfs/dbraw/zinc/20/13/59/132201359.db2.gz KRWDKYQZRNEZFB-UHFFFAOYSA-N 0 0 340.427 2.480 40 0 EEABRN COc1ccc(Cl)c(NC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000195047085 135612825 /nfs/dbraw/zinc/61/28/25/135612825.db2.gz AAXFKPCBAJJIBC-UHFFFAOYSA-N 0 0 347.806 2.493 40 0 EEABRN CCOC(=O)N1CCC2(CC1)C[C@@H](NC(C)=O)[C@@H]1CCCC[C@H]1O2 ZINC000257279229 285810449 /nfs/dbraw/zinc/81/04/49/285810449.db2.gz OFQQUXSPGDVOON-ARFHVFGLSA-N 0 0 338.448 2.461 40 0 EEABRN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@H]3C1)[C@H](C)C2 ZINC000241231193 292360876 /nfs/dbraw/zinc/36/08/76/292360876.db2.gz KSXWBVBPJOKJTP-GRGSLBFTSA-N 0 0 343.471 2.343 40 0 EEABRN CC[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc2O1 ZINC000176914254 287132646 /nfs/dbraw/zinc/13/26/46/287132646.db2.gz XCEGSLQGSNXZND-CYBMUJFWSA-N 0 0 337.441 2.406 40 0 EEABRN CCN1c2ncccc2C(=O)NC12CCN(Cc1ccco1)CC2 ZINC000013566597 276255195 /nfs/dbraw/zinc/25/51/95/276255195.db2.gz DXQUYIVYBDTYHN-UHFFFAOYSA-N 0 0 326.400 2.237 40 0 EEABRN CC[C@@H]1CN(C(=O)NCc2cccnc2-n2ccnc2C)C[C@@H](C)O1 ZINC000078925109 276479418 /nfs/dbraw/zinc/47/94/18/276479418.db2.gz BISQMGHHGAXZPC-CZUORRHYSA-N 0 0 343.431 2.285 40 0 EEABRN CN1c2ccc(F)cc2C2(CCN(C(=O)c3cccnc3)CC2)C1=O ZINC000096261745 276991874 /nfs/dbraw/zinc/99/18/74/276991874.db2.gz KGGMZUHEHCHFES-UHFFFAOYSA-N 0 0 339.370 2.371 40 0 EEABRN C[C@@H](N1CCN(c2ncc(Br)cn2)CC1)C(F)(F)F ZINC000096453784 277602274 /nfs/dbraw/zinc/60/22/74/277602274.db2.gz ZHLYTYOLNGWCHX-MRVPVSSYSA-N 0 0 339.159 2.312 40 0 EEABRN COc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)c(C)n1 ZINC000154619351 277915978 /nfs/dbraw/zinc/91/59/78/277915978.db2.gz DUEUPKPHQMXGNU-UHFFFAOYSA-N 0 0 327.319 2.371 40 0 EEABRN O=C1c2cc(I)ccc2N[C@@H](O)c2cccn21 ZINC000001581136 280330415 /nfs/dbraw/zinc/33/04/15/280330415.db2.gz BZDITGWRRIVNGU-NSHDSACASA-N 0 0 340.120 2.198 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@H](c3ccc4c(N)nn(C)c4n3)C2)n1 ZINC000257211629 280457332 /nfs/dbraw/zinc/45/73/32/280457332.db2.gz BZPNGFXJSVCHGY-ZDUSSCGKSA-N 0 0 337.431 2.341 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000096474785 289499843 /nfs/dbraw/zinc/49/98/43/289499843.db2.gz NHBRSQDVHJUCBQ-QMTHXVAHSA-N 0 0 344.864 2.450 40 0 EEABRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CCCc4c3cnn4C)c12 ZINC000047490897 293767670 /nfs/dbraw/zinc/76/76/70/293767670.db2.gz DFXVBYJCPJEIPE-CQSZACIVSA-N 0 0 338.415 2.126 40 0 EEABRN Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccoc4C)C[C@@H]32)n1 ZINC000096043446 293963573 /nfs/dbraw/zinc/96/35/73/293963573.db2.gz KJZJRISFRCZNHD-RBSFLKMASA-N 0 0 331.372 2.314 40 0 EEABRN Cc1nc(C)n(C2CN(C(=O)CCc3cn(C)c4ccccc34)C2)n1 ZINC000328796706 311621453 /nfs/dbraw/zinc/62/14/53/311621453.db2.gz VAMDVIUFAKBXQZ-UHFFFAOYSA-N 0 0 337.427 2.403 40 0 EEABRN O=S(=O)(CCC1CCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000333446202 312148662 /nfs/dbraw/zinc/14/86/62/312148662.db2.gz QRFUBYAAZSLQNM-CYBMUJFWSA-N 0 0 330.475 2.427 40 0 EEABRN Cc1nccc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 ZINC000546757651 318266611 /nfs/dbraw/zinc/26/66/11/318266611.db2.gz FCRVYLKXTXCWOB-UHFFFAOYSA-N 0 0 338.337 2.229 40 0 EEABRN COc1ccccc1N1CC[C@@H](Nc2nccc3c(=O)[nH]cnc32)C1 ZINC000575430322 320105891 /nfs/dbraw/zinc/10/58/91/320105891.db2.gz YAOJPEYYMQDQOK-GFCCVEGCSA-N 0 0 337.383 2.430 40 0 EEABRN C[C@H]1OCC[C@@H]1C(=O)NCCNc1cccc(Br)c1 ZINC000097234000 323321422 /nfs/dbraw/zinc/32/14/22/323321422.db2.gz WIMARHWQIVAOFE-MFKMUULPSA-N 0 0 327.222 2.402 40 0 EEABRN C[C@@H](NCCC(=O)N1CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000097374531 323322400 /nfs/dbraw/zinc/32/24/00/323322400.db2.gz MXPUHYUSVGFCCT-CQSZACIVSA-N 0 0 329.400 2.241 40 0 EEABRN O=C(N[C@H](C1CCCC1)C(F)(F)F)N[C@H]1CCc2ncnn2C1 ZINC000133612544 323329606 /nfs/dbraw/zinc/32/96/06/323329606.db2.gz OXLRUILYFHYYDM-CMPLNLGQSA-N 0 0 331.342 2.013 40 0 EEABRN CN(CC1CC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000153999854 323331206 /nfs/dbraw/zinc/33/12/06/323331206.db2.gz YZQWOQVNKNWGLH-UHFFFAOYSA-N 0 0 325.206 2.047 40 0 EEABRN Cc1[nH]c(=O)c(C(=O)N(C)Cc2cccn2C)cc1Br ZINC000163193274 323334545 /nfs/dbraw/zinc/33/45/45/323334545.db2.gz USLYXVORLQYZPZ-UHFFFAOYSA-N 0 0 338.205 2.469 40 0 EEABRN CC(=O)N1CCN(CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000042245615 463552894 /nfs/dbraw/zinc/55/28/94/463552894.db2.gz HVBFXHUSVMPPSR-UHFFFAOYSA-N 0 0 346.406 2.281 40 0 EEABRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000085436639 462547886 /nfs/dbraw/zinc/54/78/86/462547886.db2.gz XTQHNCWHWLZIIH-HNNXBMFYSA-N 0 0 342.361 2.234 40 0 EEABRN CN(C)C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000284406 462552091 /nfs/dbraw/zinc/55/20/91/462552091.db2.gz NQACZQXLSKJQJP-UHFFFAOYSA-N 0 0 332.425 2.355 40 0 EEABRN O=C(CSc1nnnn1-c1ccc(F)cc1)NCc1cccs1 ZINC000000415269 462560562 /nfs/dbraw/zinc/56/05/62/462560562.db2.gz WPZXNUAYVLOHEZ-UHFFFAOYSA-N 0 0 349.416 2.271 40 0 EEABRN CC(=O)NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000570388 462571307 /nfs/dbraw/zinc/57/13/07/462571307.db2.gz FTAKQMAWCSWNEW-UHFFFAOYSA-N 0 0 339.376 2.320 40 0 EEABRN CC[C@H](C)NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000000780422 462573369 /nfs/dbraw/zinc/57/33/69/462573369.db2.gz SZYMDRMFXLZBHQ-ZDUSSCGKSA-N 0 0 348.443 2.471 40 0 EEABRN Cc1c(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1C ZINC000002754174 462600535 /nfs/dbraw/zinc/60/05/35/462600535.db2.gz AGKKFMPNEAKZCX-UHFFFAOYSA-N 0 0 349.744 2.222 40 0 EEABRN Cc1cc(N2CCOCC2)nc2sc(-c3ccccc3)c([O-])[n+]21 ZINC000003076974 462610308 /nfs/dbraw/zinc/61/03/08/462610308.db2.gz XTSGWQRSBJMDSI-UHFFFAOYSA-O 0 0 328.417 2.399 40 0 EEABRN CS(=O)(=O)N(CCCC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000113964906 462618728 /nfs/dbraw/zinc/61/87/28/462618728.db2.gz SCSBCMRUSWWUNU-UHFFFAOYSA-N 0 0 346.399 2.133 40 0 EEABRN Cc1oc(C(=O)N(Cc2ccsc2)C2CC2)cc1S(N)(=O)=O ZINC000088654867 462641002 /nfs/dbraw/zinc/64/10/02/462641002.db2.gz IWISCFYPSTXWKT-UHFFFAOYSA-N 0 0 340.426 2.102 40 0 EEABRN CC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1 ZINC000004967585 462641984 /nfs/dbraw/zinc/64/19/84/462641984.db2.gz BWBRYNGLTCOQQH-UHFFFAOYSA-N 0 0 346.460 2.481 40 0 EEABRN COc1ccc2nnc(C(=O)NCCc3ccccc3F)nc2c1 ZINC000046088274 462646230 /nfs/dbraw/zinc/64/62/30/462646230.db2.gz QNPHDQJCGLHHGL-UHFFFAOYSA-N 0 0 326.331 2.145 40 0 EEABRN CC1(C)Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2NC1=O ZINC000046089302 462648167 /nfs/dbraw/zinc/64/81/67/462648167.db2.gz RGUTWBIBKWQSHU-UHFFFAOYSA-N 0 0 338.429 2.361 40 0 EEABRN Cc1nn(C)c2sc(C(=O)NC3CCC4(CC3)OCCO4)cc12 ZINC000046190572 462658656 /nfs/dbraw/zinc/65/86/56/462658656.db2.gz WWXDNZVBJBDNQJ-UHFFFAOYSA-N 0 0 335.429 2.359 40 0 EEABRN O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000005466676 462660850 /nfs/dbraw/zinc/66/08/50/462660850.db2.gz ODANNZUHNPKMAC-MRXNPFEDSA-N 0 0 326.371 2.491 40 0 EEABRN O=C(NCC1(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1 ZINC000046642328 462694000 /nfs/dbraw/zinc/69/40/00/462694000.db2.gz ZAMPBOALPJLFRT-UHFFFAOYSA-N 0 0 326.440 2.483 40 0 EEABRN C#CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Br ZINC000006951373 462714162 /nfs/dbraw/zinc/71/41/62/462714162.db2.gz OCSNGCVAEMADJH-FMIVXFBMSA-N 0 0 349.184 2.374 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000008268636 462776052 /nfs/dbraw/zinc/77/60/52/462776052.db2.gz JTKGZGIWUPQWPP-DZGCQCFKSA-N 0 0 348.443 2.057 40 0 EEABRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)c2ccccc2)s1 ZINC000008474227 462784246 /nfs/dbraw/zinc/78/42/46/462784246.db2.gz BNZINRWINMNONR-UHFFFAOYSA-N 0 0 347.396 2.381 40 0 EEABRN C[C@@H](C(=O)NC1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539397 462797035 /nfs/dbraw/zinc/79/70/35/462797035.db2.gz FIEONKANBHLBOP-ZDUSSCGKSA-N 0 0 339.480 2.423 40 0 EEABRN CCOCCCNC(=O)c1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000047568023 462799534 /nfs/dbraw/zinc/79/95/34/462799534.db2.gz SMOUGGBBIFQOEA-AWEZNQCLSA-N 0 0 349.431 2.096 40 0 EEABRN CCOCCCNC(=O)c1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000047568021 462799852 /nfs/dbraw/zinc/79/98/52/462799852.db2.gz SMOUGGBBIFQOEA-CQSZACIVSA-N 0 0 349.431 2.096 40 0 EEABRN O=C(NC[C@@H]1CCCO1)[C@H]1[C@H]2[C@@H]1CC[C@@]21CC(=O)c2ccccc2O1 ZINC000012087272 462841954 /nfs/dbraw/zinc/84/19/54/462841954.db2.gz ZXKGJQMMPDLMLA-MGMQSQGASA-N 0 0 341.407 2.342 40 0 EEABRN Cc1cc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)on1 ZINC000012668741 462862203 /nfs/dbraw/zinc/86/22/03/462862203.db2.gz IGDSEXNGMJEJHV-UHFFFAOYSA-N 0 0 339.355 2.448 40 0 EEABRN CCOC(=O)C1CCN(C(=S)NC(=O)c2ccc(C)cc2)CC1 ZINC000013624864 462897002 /nfs/dbraw/zinc/89/70/02/462897002.db2.gz VRIODGAJLNCRKY-UHFFFAOYSA-N 0 0 334.441 2.285 40 0 EEABRN CCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1C ZINC000014291667 462924668 /nfs/dbraw/zinc/92/46/68/462924668.db2.gz NEXLTLWYLAKDMJ-UHFFFAOYSA-N 0 0 331.324 2.386 40 0 EEABRN COc1ccc(S(=O)(=O)Nc2ccc(C3=NCCO3)cc2)cc1 ZINC000016217318 462971563 /nfs/dbraw/zinc/97/15/63/462971563.db2.gz HNFDMMCDZFELOL-UHFFFAOYSA-N 0 0 332.381 2.273 40 0 EEABRN Cc1cccc(NC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000018180930 463008231 /nfs/dbraw/zinc/00/82/31/463008231.db2.gz GMDGPLXDZAUFBI-UHFFFAOYSA-N 0 0 332.448 2.059 40 0 EEABRN CNC(=O)c1cccc(CCNC(=O)N[C@H](C)c2csc(C)n2)c1 ZINC000077586309 463009248 /nfs/dbraw/zinc/00/92/48/463009248.db2.gz AMWVPUFQKSJXQN-LLVKDONJSA-N 0 0 346.456 2.414 40 0 EEABRN O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(N2CCCC2)nc1 ZINC000077633930 463014878 /nfs/dbraw/zinc/01/48/78/463014878.db2.gz LFCWTWCBEVCRPE-HNNXBMFYSA-N 0 0 347.365 2.423 40 0 EEABRN COc1ccc(NCc2nc([C@@H](N)c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533545 463107103 /nfs/dbraw/zinc/10/71/03/463107103.db2.gz IITDDIGKFXKCNU-KRWDZBQOSA-N 0 0 339.399 2.482 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)CCOc1ccccc1)C2 ZINC000096039220 463143794 /nfs/dbraw/zinc/14/37/94/463143794.db2.gz ZINYLGWPEDZWKI-HKUYNNGSSA-N 0 0 333.428 2.500 40 0 EEABRN O=C([C@H]1CCC2(CCN(Cc3nccs3)CC2)O1)N1CCCC1 ZINC000096061230 463162009 /nfs/dbraw/zinc/16/20/09/463162009.db2.gz FGFIOTBDZMYTOG-CQSZACIVSA-N 0 0 335.473 2.279 40 0 EEABRN Cc1cccc(CO[C@H]2CN(Cc3cnn(C)c3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096065427 463163055 /nfs/dbraw/zinc/16/30/55/463163055.db2.gz FUSXZQGKIIGVQO-QYZOEREBSA-N 0 0 342.443 2.072 40 0 EEABRN Cc1ccoc1C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1 ZINC000096084787 463170722 /nfs/dbraw/zinc/17/07/22/463170722.db2.gz JYYINDJNRABRLA-UHFFFAOYSA-N 0 0 343.431 2.212 40 0 EEABRN O=C(Nc1ccccc1)N1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096081083 463170753 /nfs/dbraw/zinc/17/07/53/463170753.db2.gz RJACQMXKRSAFEU-STQMWFEESA-N 0 0 342.424 2.379 40 0 EEABRN CC(C)c1cc(C(=O)N2CCC[C@H](C)C2)nc(N2CCOCC2)n1 ZINC000096100984 463173239 /nfs/dbraw/zinc/17/32/39/463173239.db2.gz BMAMLTBXJOMTCP-AWEZNQCLSA-N 0 0 332.448 2.309 40 0 EEABRN COC[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000096105852 463174320 /nfs/dbraw/zinc/17/43/20/463174320.db2.gz QMYJUPAVKJZIER-HNNXBMFYSA-N 0 0 347.411 2.002 40 0 EEABRN COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cn1 ZINC000096111922 463179544 /nfs/dbraw/zinc/17/95/44/463179544.db2.gz QWGDOYDVDGYGJM-HOCLYGCPSA-N 0 0 339.395 2.089 40 0 biogenic,in-vitro EEABRN Cc1ccoc1C(=O)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096110887 463179621 /nfs/dbraw/zinc/17/96/21/463179621.db2.gz JYZJFTLCDVCNPA-KSSFIOAISA-N 0 0 328.368 2.436 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(C)nc2onc(C)c21 ZINC000096134102 463185259 /nfs/dbraw/zinc/18/52/59/463185259.db2.gz WMTHSCQUEIKKDG-AWEZNQCLSA-N 0 0 344.415 2.313 40 0 EEABRN CC(C)C(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 ZINC000096146925 463185804 /nfs/dbraw/zinc/18/58/04/463185804.db2.gz CRXPVKYJYQQESF-UHFFFAOYSA-N 0 0 344.440 2.374 40 0 EEABRN O=C(c1cscn1)N1CCC2(C1)CCN(c1ncccn1)CC2 ZINC000096157479 463188540 /nfs/dbraw/zinc/18/85/40/463188540.db2.gz JIEHBIMCOCDJGS-UHFFFAOYSA-N 0 0 329.429 2.066 40 0 EEABRN Cc1occc1C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096158994 463190980 /nfs/dbraw/zinc/19/09/80/463190980.db2.gz HVVDFCSPALAOLF-UHFFFAOYSA-N 0 0 341.411 2.495 40 0 EEABRN COc1cc(=O)n(CC(=O)NCC(C)C)nc1-c1ccc(Cl)cc1 ZINC000096184186 463196224 /nfs/dbraw/zinc/19/62/24/463196224.db2.gz ZUJYDPNEGVEVEJ-UHFFFAOYSA-N 0 0 349.818 2.345 40 0 EEABRN O=C(c1ccncc1F)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC000096187914 463199131 /nfs/dbraw/zinc/19/91/31/463199131.db2.gz GVFRTRDDQXHXPL-AWEZNQCLSA-N 0 0 344.390 2.116 40 0 EEABRN O=C(Cc1ccccc1)N1CCn2cc(CN3CCCCC3)nc2C1 ZINC000096197266 463203487 /nfs/dbraw/zinc/20/34/87/463203487.db2.gz RIFKJTJWHDWGMQ-UHFFFAOYSA-N 0 0 338.455 2.454 40 0 EEABRN CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096199663 463204149 /nfs/dbraw/zinc/20/41/49/463204149.db2.gz RDMJJDSCCLGPKR-DLBZAZTESA-N 0 0 342.439 2.030 40 0 EEABRN CCOC[C@@H]1C[C@@]2(CO1)COCCN2C(=O)c1sccc1C ZINC000096240719 463225876 /nfs/dbraw/zinc/22/58/76/463225876.db2.gz DBSANQQIPVWONE-BBRMVZONSA-N 0 0 325.430 2.093 40 0 EEABRN O=C(Cc1ccccn1)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096261178 463231423 /nfs/dbraw/zinc/23/14/23/463231423.db2.gz NAGZGTGNUPAVET-GOSISDBHSA-N 0 0 349.434 2.289 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c2c(=O)[nH]n(C)c2n1 ZINC000096405495 463239550 /nfs/dbraw/zinc/23/95/50/463239550.db2.gz GXUBZSUTPSBVGJ-ZIAGYGMSSA-N 0 0 336.395 2.104 40 0 EEABRN COc1ccc2oc([C@H](C)NC(=O)NCC[S@@](C)=O)c(C)c2c1 ZINC000096408895 463242310 /nfs/dbraw/zinc/24/23/10/463242310.db2.gz YZSODIPLLOILHC-RULNZOCKSA-N 0 0 338.429 2.489 40 0 EEABRN COc1ccc2oc([C@@H](C)NC(=O)NCC[S@@](C)=O)c(C)c2c1 ZINC000096408894 463242728 /nfs/dbraw/zinc/24/27/28/463242728.db2.gz YZSODIPLLOILHC-BGJPBQGDSA-N 0 0 338.429 2.489 40 0 EEABRN Cc1nnc(CNC(=O)c2csc(Cc3ccccc3F)n2)n1C ZINC000096410133 463242811 /nfs/dbraw/zinc/24/28/11/463242811.db2.gz BRKCETYQLHRVKX-UHFFFAOYSA-N 0 0 345.403 2.240 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)[C@@H](C)n3cccn3)C2)c1 ZINC000096409275 463242885 /nfs/dbraw/zinc/24/28/85/463242885.db2.gz MMEHHIHHZSIXCK-CABCVRRESA-N 0 0 328.416 2.238 40 0 EEABRN O=C(OCCNC(=O)c1cncc(Br)c1)c1ccoc1 ZINC000096410835 463244014 /nfs/dbraw/zinc/24/40/14/463244014.db2.gz KIZYDLHACQNRSB-UHFFFAOYSA-N 0 0 339.145 2.024 40 0 EEABRN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)c2cccnc2O1 ZINC000158636563 463244190 /nfs/dbraw/zinc/24/41/90/463244190.db2.gz DZUZARDLEBPKBW-LLVKDONJSA-N 0 0 339.330 2.229 40 0 EEABRN C[C@@]12CCC(=O)N1[C@H](C(=O)NC1(c3ccccc3F)CC1)CS2 ZINC000096412127 463244608 /nfs/dbraw/zinc/24/46/08/463244608.db2.gz CCRALOQTNPWYGT-XJKSGUPXSA-N 0 0 334.416 2.385 40 0 EEABRN CCc1ccc([C@@H]2COCCN2Cc2nnnn2-c2ccccc2)o1 ZINC000096413004 463244622 /nfs/dbraw/zinc/24/46/22/463244622.db2.gz OYCKWNJXYBPHBD-INIZCTEOSA-N 0 0 339.399 2.391 40 0 EEABRN C[C@H](C(=O)N1CCCC[C@@H]1C1OCCO1)N1CCc2ccccc2C1 ZINC000096412372 463245184 /nfs/dbraw/zinc/24/51/84/463245184.db2.gz TVRQFJHKFYQPNN-CRAIPNDOSA-N 0 0 344.455 2.187 40 0 EEABRN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000096420029 463251978 /nfs/dbraw/zinc/25/19/78/463251978.db2.gz NLWLJWQGOJGJRL-NSHDSACASA-N 0 0 347.242 2.305 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C12CCC2 ZINC000096423420 463253685 /nfs/dbraw/zinc/25/36/85/463253685.db2.gz QFNYDGPITDPECM-PMPSAXMXSA-N 0 0 334.460 2.099 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1C ZINC000096423714 463254266 /nfs/dbraw/zinc/25/42/66/463254266.db2.gz UMKLANTUUFAQQN-QWHCGFSZSA-N 0 0 334.370 2.184 40 0 EEABRN Cc1nccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000096423119 463254301 /nfs/dbraw/zinc/25/43/01/463254301.db2.gz WSKGTRRFCOJVLU-CQSZACIVSA-N 0 0 344.802 2.364 40 0 EEABRN CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2nncs2)s1 ZINC000096424507 463255201 /nfs/dbraw/zinc/25/52/01/463255201.db2.gz KQXTXCRRDWCGHB-VIFPVBQESA-N 0 0 325.463 2.497 40 0 EEABRN COC(=O)N1CC[C@H](NC(=O)c2cccc(Br)c2)C1 ZINC000096426645 463255537 /nfs/dbraw/zinc/25/55/37/463255537.db2.gz VKWQUUNGHIVYPK-NSHDSACASA-N 0 0 327.178 2.020 40 0 EEABRN C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(C3CC3)o2)C1=O ZINC000096428796 463259563 /nfs/dbraw/zinc/25/95/63/463259563.db2.gz FLMRHAWOQJJABC-SFHVURJKSA-N 0 0 340.383 2.390 40 0 EEABRN Cn1cc(S(=O)(=O)NCCSc2cccc(Cl)c2)cn1 ZINC000096430167 463259573 /nfs/dbraw/zinc/25/95/73/463259573.db2.gz GJCWKJJLVYEXFB-UHFFFAOYSA-N 0 0 331.850 2.144 40 0 EEABRN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCCSCC1 ZINC000096436142 463263365 /nfs/dbraw/zinc/26/33/65/463263365.db2.gz ATJBJDBSEWKIIV-QGZVFWFLSA-N 0 0 334.485 2.243 40 0 EEABRN C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cnn(C)c1 ZINC000096439997 463266058 /nfs/dbraw/zinc/26/60/58/463266058.db2.gz RBYDLRMJLPLXOO-BXUZGUMPSA-N 0 0 349.385 2.337 40 0 EEABRN CCOc1c(F)cccc1C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000096443111 463268531 /nfs/dbraw/zinc/26/85/31/463268531.db2.gz OKEYMWHQAHCAQR-OAHLLOKOSA-N 0 0 330.359 2.051 40 0 EEABRN Cc1nccn1CCCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000096444046 463269886 /nfs/dbraw/zinc/26/98/86/463269886.db2.gz WYUGOOUOZJZIOG-OAHLLOKOSA-N 0 0 330.436 2.284 40 0 EEABRN COC(=O)[C@@H](C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000096449231 463272166 /nfs/dbraw/zinc/27/21/66/463272166.db2.gz CCTOYLVKUGCLEU-NHYWBVRUSA-N 0 0 327.384 2.179 40 0 EEABRN CNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(OC)cc1Cl ZINC000096472012 463278727 /nfs/dbraw/zinc/27/87/27/463278727.db2.gz VZBUTYVUVMBAMD-AWEZNQCLSA-N 0 0 326.824 2.168 40 0 EEABRN O=C(Cn1nccc1-c1ccncc1)NC[C@@H]1Cc2ccccc2O1 ZINC000096475715 463280041 /nfs/dbraw/zinc/28/00/41/463280041.db2.gz QBRQFHOLKSMKSN-INIZCTEOSA-N 0 0 334.379 2.065 40 0 EEABRN CC(C)CN(CC(F)(F)F)C(=O)Cn1c(=O)oc2cccnc21 ZINC000096475826 463280139 /nfs/dbraw/zinc/28/01/39/463280139.db2.gz JBQRLUZNCZKCHI-UHFFFAOYSA-N 0 0 331.294 2.036 40 0 EEABRN COc1ccccc1C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000096482595 463281502 /nfs/dbraw/zinc/28/15/02/463281502.db2.gz NFQPPVAAPNCUPD-QGZVFWFLSA-N 0 0 332.787 2.479 40 0 EEABRN C[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489093 463285093 /nfs/dbraw/zinc/28/50/93/463285093.db2.gz DBTOSCYNIITNAU-YOEHRIQHSA-N 0 0 337.427 2.213 40 0 EEABRN O=C(Cn1cc(CCCO)c(C(F)(F)F)n1)N1CCCCCC1 ZINC000096491429 463286817 /nfs/dbraw/zinc/28/68/17/463286817.db2.gz ZHPAXAOQDROFBO-UHFFFAOYSA-N 0 0 333.354 2.229 40 0 EEABRN CCc1cc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)on1 ZINC000096493999 463288357 /nfs/dbraw/zinc/28/83/57/463288357.db2.gz SELKCUFGXRXVAO-QGZVFWFLSA-N 0 0 329.400 2.390 40 0 EEABRN CC(C)n1nccc1NC(=O)NC1(C(=O)NCC2CC2)CCCC1 ZINC000096501008 463291009 /nfs/dbraw/zinc/29/10/09/463291009.db2.gz MIHBQQJGHOZUAH-UHFFFAOYSA-N 0 0 333.436 2.425 40 0 EEABRN CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccc(F)cc1 ZINC000096521389 463293741 /nfs/dbraw/zinc/29/37/41/463293741.db2.gz IWVXLMBJQJPGNM-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN CCc1ccc([C@@H]2COCCN2C(=O)Nc2c(C)ccn(C)c2=O)o1 ZINC000097099575 463323535 /nfs/dbraw/zinc/32/35/35/463323535.db2.gz VZBJDMZJKRTUGX-AWEZNQCLSA-N 0 0 345.399 2.455 40 0 EEABRN CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1scnc1C1CC1 ZINC000097100970 463323672 /nfs/dbraw/zinc/32/36/72/463323672.db2.gz HDFGOYWCICFFGS-UHFFFAOYSA-N 0 0 330.475 2.306 40 0 EEABRN CO[C@@]1(C)C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1(C)C ZINC000080720889 463350875 /nfs/dbraw/zinc/35/08/75/463350875.db2.gz OTMDYKMBUZDKEO-KDOFPFPSSA-N 0 0 332.448 2.013 40 0 EEABRN Cn1cnc(-c2cccc(NC(=O)NC[C@H](O)c3ccccc3)c2)n1 ZINC000097373466 463355354 /nfs/dbraw/zinc/35/53/54/463355354.db2.gz SMMFHYPXZXAQNX-INIZCTEOSA-N 0 0 337.383 2.337 40 0 EEABRN Cn1nccc1CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000097378484 463357595 /nfs/dbraw/zinc/35/75/95/463357595.db2.gz ROKGDCHFSIJELB-RDJZCZTQSA-N 0 0 328.416 2.182 40 0 EEABRN O=S(=O)(NCCOc1cccnc1)c1c(F)cccc1Cl ZINC000097380099 463357797 /nfs/dbraw/zinc/35/77/97/463357797.db2.gz UDGXYFKDPFQZEI-UHFFFAOYSA-N 0 0 330.768 2.231 40 0 EEABRN Cc1ccnn1CC(=O)N[C@H]1CCCc2nc(-c3ccccn3)ncc21 ZINC000071195764 463411354 /nfs/dbraw/zinc/41/13/54/463411354.db2.gz GJCAOUYVRFOTAR-HNNXBMFYSA-N 0 0 348.410 2.237 40 0 EEABRN CCN1CCO[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000081326516 463420913 /nfs/dbraw/zinc/42/09/13/463420913.db2.gz DXIBWZMNJKIHRM-QGZVFWFLSA-N 0 0 335.423 2.475 40 0 EEABRN O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(c2cnccn2)CC1 ZINC000040487714 463456925 /nfs/dbraw/zinc/45/69/25/463456925.db2.gz ULEWODDMWZXWCY-GOSISDBHSA-N 0 0 337.427 2.460 40 0 EEABRN CCc1noc([C@@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)n1 ZINC000041123605 463468195 /nfs/dbraw/zinc/46/81/95/463468195.db2.gz IIHGDZYUJDZQBS-CQSZACIVSA-N 0 0 331.420 2.242 40 0 EEABRN COc1ccc(OCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 ZINC000041121725 463468533 /nfs/dbraw/zinc/46/85/33/463468533.db2.gz LVGNILXWCRUBBE-UHFFFAOYSA-N 0 0 331.372 2.172 40 0 EEABRN COc1ccc(C[C@@]2(c3ccc(Cl)cc3)NC(N)=NC2=O)cc1 ZINC000071975872 463479215 /nfs/dbraw/zinc/47/92/15/463479215.db2.gz YJPAYSKTSAXFDT-KRWDZBQOSA-N 0 0 329.787 2.231 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1ncncc1C ZINC000072367557 463509190 /nfs/dbraw/zinc/50/91/90/463509190.db2.gz RGATYWYVCFQXLO-ZDUSSCGKSA-N 0 0 336.417 2.306 40 0 EEABRN NC(=O)C1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000072595187 463524032 /nfs/dbraw/zinc/52/40/32/463524032.db2.gz OBXXSSHKCPYKDB-UHFFFAOYSA-N 0 0 344.839 2.436 40 0 EEABRN Cc1noc(C)c1C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000107207477 463561536 /nfs/dbraw/zinc/56/15/36/463561536.db2.gz DEZMXSIESOJUQB-VYDXJSESSA-N 0 0 343.383 2.137 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 ZINC000108528810 463610112 /nfs/dbraw/zinc/61/01/12/463610112.db2.gz VYPSBOCGPYMMEZ-UHFFFAOYSA-N 0 0 327.388 2.188 40 0 EEABRN CSCC(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108533353 463610310 /nfs/dbraw/zinc/61/03/10/463610310.db2.gz OSAIIHRLKNZXNL-SFHVURJKSA-N 0 0 347.484 2.176 40 0 EEABRN C[C@@H](C(=O)Nc1ncccn1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000084714152 463624649 /nfs/dbraw/zinc/62/46/49/463624649.db2.gz VBTGETOBEUSQLS-IJEWVQPXSA-N 0 0 326.400 2.266 40 0 EEABRN COc1ccc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 ZINC000044246740 463671283 /nfs/dbraw/zinc/67/12/83/463671283.db2.gz FYJAKMLRHNVTIY-UHFFFAOYSA-N 0 0 338.371 2.301 40 0 EEABRN CCCc1nnc(NC(=O)CCn2c3ccccc3n(C)c2=O)s1 ZINC000044895425 463699411 /nfs/dbraw/zinc/69/94/11/463699411.db2.gz IZZJPJAZNDUBNX-UHFFFAOYSA-N 0 0 345.428 2.173 40 0 EEABRN O=S(=O)(NCCc1cccc2cccnc21)N1CCCCCC1 ZINC000044896262 463699747 /nfs/dbraw/zinc/69/97/47/463699747.db2.gz BYIZJBRLBKJONI-UHFFFAOYSA-N 0 0 333.457 2.488 40 0 EEABRN Cc1cccnc1Nc1cc(C2CCN(CC(N)=O)CC2)ccn1 ZINC000257215108 463755872 /nfs/dbraw/zinc/75/58/72/463755872.db2.gz COSPWTBVMXTWRK-UHFFFAOYSA-N 0 0 325.416 2.193 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2ccncn2)C1 ZINC000257287015 463762854 /nfs/dbraw/zinc/76/28/54/463762854.db2.gz POCLCVFKNLMXQO-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN O=C(CCc1cc(Cl)no1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257295030 463765593 /nfs/dbraw/zinc/76/55/93/463765593.db2.gz QWQOMOSYRXPPHQ-LBPRGKRZSA-N 0 0 334.807 2.441 40 0 EEABRN Cc1cccc(N2CCC[C@@H](N(C)C(=O)COc3cccnc3)C2)n1 ZINC000257293042 463766277 /nfs/dbraw/zinc/76/62/77/463766277.db2.gz QNXNKJFCQDTPFB-MRXNPFEDSA-N 0 0 340.427 2.291 40 0 EEABRN Cc1c(CN2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)cnn1C ZINC000257303570 463770830 /nfs/dbraw/zinc/77/08/30/463770830.db2.gz SHSWSUIQTWDBDZ-GOSISDBHSA-N 0 0 343.475 2.023 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257314499 463773762 /nfs/dbraw/zinc/77/37/62/463773762.db2.gz UXGGEJFTYVUOGE-IEBWSBKVSA-N 0 0 343.427 2.013 40 0 EEABRN COCc1cccc(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)c1 ZINC000257316891 463775569 /nfs/dbraw/zinc/77/55/69/463775569.db2.gz VHLVRXWGHHFDBC-SFHVURJKSA-N 0 0 341.411 2.454 40 0 EEABRN O=S(=O)(c1cccnc1)N1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257326481 463779713 /nfs/dbraw/zinc/77/97/13/463779713.db2.gz WXJFAKILKWCYAX-OAHLLOKOSA-N 0 0 343.412 2.040 40 0 EEABRN COc1cccc2c1CCN(C(=O)NC[C@H](C)Cn1cccn1)CC2 ZINC000194281519 463827599 /nfs/dbraw/zinc/82/75/99/463827599.db2.gz CQBOARDTLLHDCW-HNNXBMFYSA-N 0 0 342.443 2.338 40 0 EEABRN CCn1cc(N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cn1 ZINC000186186089 463949385 /nfs/dbraw/zinc/94/93/85/463949385.db2.gz NHRJFEXZUWNVCT-INIZCTEOSA-N 0 0 330.388 2.138 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000186697397 464051915 /nfs/dbraw/zinc/05/19/15/464051915.db2.gz YFYMLZPSCKGEMG-CYBMUJFWSA-N 0 0 330.787 2.426 40 0 EEABRN CC(C)N(CC(F)F)S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195425155 464052451 /nfs/dbraw/zinc/05/24/51/464052451.db2.gz ZVECTUXSTALLDT-UHFFFAOYSA-N 0 0 334.388 2.053 40 0 EEABRN C[C@@H](NC(=O)CCc1ccc(O)cc1)C(=O)N1CCc2ccccc21 ZINC000195562992 464077233 /nfs/dbraw/zinc/07/72/33/464077233.db2.gz FUACUKFKLZEWLF-CQSZACIVSA-N 0 0 338.407 2.419 40 0 EEABRN COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222973801 464136318 /nfs/dbraw/zinc/13/63/18/464136318.db2.gz KTCGOJHKUGDZBE-AWEZNQCLSA-N 0 0 341.411 2.144 40 0 EEABRN O=C(Nc1nccs1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223358136 464142712 /nfs/dbraw/zinc/14/27/12/464142712.db2.gz MTNIXLBONZAYNM-NSHDSACASA-N 0 0 345.380 2.002 40 0 EEABRN CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224366661 464151423 /nfs/dbraw/zinc/15/14/23/464151423.db2.gz VBJRHRQGLIVBBS-UHFFFAOYSA-N 0 0 336.457 2.453 40 0 EEABRN Cc1nc2ccccn2c1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 ZINC000225424831 464158789 /nfs/dbraw/zinc/15/87/89/464158789.db2.gz RZYTYMSEQHLFQF-CQSZACIVSA-N 0 0 337.383 2.035 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)no1 ZINC000225483951 464165572 /nfs/dbraw/zinc/16/55/72/464165572.db2.gz VDCWENWOWUDREX-ZDUSSCGKSA-N 0 0 345.330 2.493 40 0 biogenic,in-vitro EEABRN COc1nccnc1O[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000225495805 464166457 /nfs/dbraw/zinc/16/64/57/464166457.db2.gz CLEHKICVEQZHMF-ZDUSSCGKSA-N 0 0 333.413 2.159 40 0 EEABRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCCc1nnc2n1CCC2 ZINC000225535983 464169813 /nfs/dbraw/zinc/16/98/13/464169813.db2.gz QJABZGFTKFFRIW-SNVBAGLBSA-N 0 0 345.369 2.139 40 0 EEABRN C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 ZINC000225553640 464171291 /nfs/dbraw/zinc/17/12/91/464171291.db2.gz PQTUZIOAWWWLDN-LRDDRELGSA-N 0 0 342.399 2.030 40 0 EEABRN CCn1ncnc1CN1CCN(c2cccc(OC(F)F)c2)CC1 ZINC000225616698 464176530 /nfs/dbraw/zinc/17/65/30/464176530.db2.gz RKSFKYYLFBSZRR-UHFFFAOYSA-N 0 0 337.374 2.222 40 0 EEABRN COc1cc(CN2CCNC(=O)[C@H]2c2ccccc2F)ccc1O ZINC000225670430 464179814 /nfs/dbraw/zinc/17/98/14/464179814.db2.gz MSUWRMAUVPNGAD-QGZVFWFLSA-N 0 0 330.359 2.213 40 0 EEABRN CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(-n2cccc2)c1 ZINC000226245717 464182934 /nfs/dbraw/zinc/18/29/34/464182934.db2.gz KPXFWOJVNYMERU-UHFFFAOYSA-N 0 0 341.411 2.323 40 0 EEABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@]1(O)CCOC1 ZINC000270167255 464205275 /nfs/dbraw/zinc/20/52/75/464205275.db2.gz ZISQRHUBHGJKNG-MRXNPFEDSA-N 0 0 336.775 2.185 40 0 EEABRN C[C@@H]1CN(CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231655 464231586 /nfs/dbraw/zinc/23/15/86/464231586.db2.gz UYNSOJGTBFUURG-GFCCVEGCSA-N 0 0 336.436 2.434 40 0 EEABRN Cc1noc([C@H]2COCCN2Cc2c[nH]c(-c3ccccc3)n2)n1 ZINC000188483799 464292361 /nfs/dbraw/zinc/29/23/61/464292361.db2.gz OXEGSTXQSWBBRV-OAHLLOKOSA-N 0 0 325.372 2.342 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@H](c3noc(C(F)(F)F)n3)C2)cn1 ZINC000238972805 464441322 /nfs/dbraw/zinc/44/13/22/464441322.db2.gz ZOMLPJMHLPRCEY-JTQLQIEISA-N 0 0 326.278 2.422 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC000238968939 464441423 /nfs/dbraw/zinc/44/14/23/464441423.db2.gz ZFOHBHXPBOEIRG-MRVPVSSYSA-N 0 0 330.266 2.323 40 0 EEABRN c1nnc2c(N3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)nccn12 ZINC000240465803 464447022 /nfs/dbraw/zinc/44/70/22/464447022.db2.gz GAIBYBSIEZXLFE-CQSZACIVSA-N 0 0 346.398 2.293 40 0 EEABRN CCOC(=O)C1=C(CN2CCC[C@H]2c2ccccc2)NC(=O)N[C@H]1C ZINC000242001061 464456612 /nfs/dbraw/zinc/45/66/12/464456612.db2.gz VCQJLYGZFMTEHX-BBRMVZONSA-N 0 0 343.427 2.342 40 0 EEABRN CCc1ccc([C@@H]2CN(C(=O)NCCc3ccnn3C)CCO2)cc1 ZINC000189980294 464577242 /nfs/dbraw/zinc/57/72/42/464577242.db2.gz GOXOZJLYVZPPFC-SFHVURJKSA-N 0 0 342.443 2.308 40 0 EEABRN Cc1cccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)n1 ZINC000247859967 464710314 /nfs/dbraw/zinc/71/03/14/464710314.db2.gz FOUPCEYZMWPNOB-OALUTQOASA-N 0 0 342.443 2.037 40 0 EEABRN Cc1ccccc1OCC(=O)N1CC2(C1)OCC[C@@H]2COCC1CC1 ZINC000247999294 464720676 /nfs/dbraw/zinc/72/06/76/464720676.db2.gz CNIWWZBYRUXLDC-QGZVFWFLSA-N 0 0 345.439 2.418 40 0 EEABRN COc1ccccc1CN1CC2(C1)OCC[C@@H]2CCN1CCCC1=O ZINC000248149411 464734026 /nfs/dbraw/zinc/73/40/26/464734026.db2.gz VATJGFRHQXPIBV-KRWDZBQOSA-N 0 0 344.455 2.299 40 0 EEABRN C[C@H](c1nnnn1C1CC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000192076323 464861315 /nfs/dbraw/zinc/86/13/15/464861315.db2.gz RHRMXCLSBZOIAO-CYBMUJFWSA-N 0 0 330.411 2.026 40 0 EEABRN CC(C)COCCN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000252482247 464960743 /nfs/dbraw/zinc/96/07/43/464960743.db2.gz DBLZREZSSNXRMX-UHFFFAOYSA-N 0 0 343.475 2.002 40 0 EEABRN CC[C@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)N1CCO[C@H](CC)C1 ZINC000252493725 464968260 /nfs/dbraw/zinc/96/82/60/464968260.db2.gz NFLMZBXGTURPAT-OAGGEKHMSA-N 0 0 334.464 2.353 40 0 EEABRN CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000252500301 464970454 /nfs/dbraw/zinc/97/04/54/464970454.db2.gz SRUGBZYUHSMWSG-HOTGVXAUSA-N 0 0 346.475 2.197 40 0 EEABRN COc1cc(C(=O)NC2=NO[C@H](C)C2)cc(Br)c1OC ZINC000252503916 464972191 /nfs/dbraw/zinc/97/21/91/464972191.db2.gz VHFVSBWEIJTBQG-SSDOTTSWSA-N 0 0 343.177 2.318 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)CCC(=O)N2C)cc1 ZINC000253390004 464997394 /nfs/dbraw/zinc/99/73/94/464997394.db2.gz OMPUWUUVLXMVDR-SOLBZPMBSA-N 0 0 330.428 2.200 40 0 EEABRN O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(Br)o1 ZINC000253397759 465000082 /nfs/dbraw/zinc/00/00/82/465000082.db2.gz FZAMDSUMAVHASM-KKZNHRDASA-N 0 0 330.178 2.108 40 0 EEABRN Cn1ccnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)c1=O ZINC000253427892 465011102 /nfs/dbraw/zinc/01/11/02/465011102.db2.gz FOSDVJGLOHFYAI-NSHDSACASA-N 0 0 334.445 2.112 40 0 EEABRN Cc1onc(-c2ccccc2)c1C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000253427077 465011501 /nfs/dbraw/zinc/01/15/01/465011501.db2.gz CWYNVKCPVANVBD-CYBMUJFWSA-N 0 0 340.339 2.247 40 0 EEABRN Cn1nccc1S(=O)(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000253428527 465012776 /nfs/dbraw/zinc/01/27/76/465012776.db2.gz LNCBJWKHYCEVMH-CYBMUJFWSA-N 0 0 337.470 2.223 40 0 EEABRN Cc1cc(N2CC[C@H](Nc3ncc(C(F)(F)F)s3)C2=O)n(C)n1 ZINC000253431393 465014397 /nfs/dbraw/zinc/01/43/97/465014397.db2.gz RLRRBDPSHSLCNU-QMMMGPOBSA-N 0 0 345.350 2.421 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2cccc(OC)c2)cc1 ZINC000339591927 465368364 /nfs/dbraw/zinc/36/83/64/465368364.db2.gz BLFFJIUMEZOMCS-UHFFFAOYSA-N 0 0 342.395 2.027 40 0 EEABRN CC(C)C[C@@H](C(=O)Nc1cc(C(F)(F)F)n[nH]1)N1CCCCC1=O ZINC000331335002 466037115 /nfs/dbraw/zinc/03/71/15/466037115.db2.gz UJSMEDYPPBSPPT-JTQLQIEISA-N 0 0 346.353 2.794 40 0 EEABRN Cc1ccnc(OC[C@H]2CN(Cc3nccs3)Cc3cncn32)n1 ZINC000306125066 466486733 /nfs/dbraw/zinc/48/67/33/466486733.db2.gz CGBDNPAOJSALBI-CQSZACIVSA-N 0 0 342.428 2.074 40 0 EEABRN Fc1ccc(CN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1F ZINC000306128369 466489141 /nfs/dbraw/zinc/48/91/41/466489141.db2.gz GYPIMFAALMPBHI-JJRVBVJISA-N 0 0 346.381 2.314 40 0 EEABRN CN(C)C(=O)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408975055 466684611 /nfs/dbraw/zinc/68/46/11/466684611.db2.gz JEZPJVQDKVPBFQ-UHFFFAOYSA-N 0 0 346.346 2.132 40 0 EEABRN CCOC(=O)Cc1c(C)[nH]c2cc(-c3ccc(OC)cc3)nn2c1=O ZINC000409025655 466684862 /nfs/dbraw/zinc/68/48/62/466684862.db2.gz XLOFEYMNLKBDNB-UHFFFAOYSA-N 0 0 341.367 2.112 40 0 EEABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccccc1 ZINC000409141575 466685199 /nfs/dbraw/zinc/68/51/99/466685199.db2.gz VPKRWOSAOYTAHM-CQSZACIVSA-N 0 0 338.363 2.221 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCc1ccco1 ZINC000409211828 466686579 /nfs/dbraw/zinc/68/65/79/466686579.db2.gz KGXIIASHGANCHM-GHXNOFRVSA-N 0 0 332.337 2.225 40 0 EEABRN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409363851 466686924 /nfs/dbraw/zinc/68/69/24/466686924.db2.gz VKBPNQQOVNCRGS-ZDUSSCGKSA-N 0 0 334.269 2.454 40 0 EEABRN CCn1c(COc2ccccc2F)nnc1SCC(=O)OC ZINC000409384436 466687491 /nfs/dbraw/zinc/68/74/91/466687491.db2.gz BUDWQGMFVFRJHH-UHFFFAOYSA-N 0 0 325.365 2.281 40 0 EEABRN Cc1ccc(N([C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1C ZINC000409382891 466688038 /nfs/dbraw/zinc/68/80/38/466688038.db2.gz XDWOWSQEYPPJRK-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN COC1(CNC(=O)N2CCC3(CC2)OCCO3)CCC(C)CC1 ZINC000390833127 467414186 /nfs/dbraw/zinc/41/41/86/467414186.db2.gz CLTMCBRBBZQJNP-UHFFFAOYSA-N 0 0 326.437 2.130 40 0 EEABRN O=C(N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2)C1(F)CCC1 ZINC000575403515 468141892 /nfs/dbraw/zinc/14/18/92/468141892.db2.gz MKFNRYDUETYIFV-CQSZACIVSA-N 0 0 343.464 2.408 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)C4(F)CC4)C3)C2)c1 ZINC000575405152 468142000 /nfs/dbraw/zinc/14/20/00/468142000.db2.gz RKSBHCZQRWFMNL-OAHLLOKOSA-N 0 0 334.391 2.169 40 0 EEABRN O=C(c1noc2c1CCCC2)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575604861 468145687 /nfs/dbraw/zinc/14/56/87/468145687.db2.gz CIYLXCOJLJCIBB-NSHDSACASA-N 0 0 348.790 2.290 40 0 EEABRN O=C(NCCn1nc(C2CC2)ccc1=O)NCc1ccc(Cl)cc1 ZINC000575606852 468147119 /nfs/dbraw/zinc/14/71/19/468147119.db2.gz GAGJNYWGLMWDAU-UHFFFAOYSA-N 0 0 346.818 2.274 40 0 EEABRN COCC1(O)CCN(C(=O)NCc2cc(C3CC3)ccc2F)CC1 ZINC000556755758 468565781 /nfs/dbraw/zinc/56/57/81/468565781.db2.gz UCFPWPBSUPGAAT-UHFFFAOYSA-N 0 0 336.407 2.386 40 0 EEABRN O=C1N(c2cccnc2)CC[C@]12CN(Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093065 468962445 /nfs/dbraw/zinc/96/24/45/468962445.db2.gz RNTPCDKBAPMWRN-INIZCTEOSA-N 0 0 347.369 2.069 40 0 EEABRN Cc1cnc(OCCc2cnc3n2CCN(CC2CC2)[C@@H]3C)nc1 ZINC000585097745 468965439 /nfs/dbraw/zinc/96/54/39/468965439.db2.gz NSKQFVVOORPCSU-CQSZACIVSA-N 0 0 327.432 2.390 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@@H]2C ZINC000585097394 468965592 /nfs/dbraw/zinc/96/55/92/468965592.db2.gz KUONAGZYXYOENW-GFCCVEGCSA-N 0 0 332.379 2.100 40 0 EEABRN c1cc2n(n1)CC[C@H](COc1cccnc1)N(CC1=CCCOC1)C2 ZINC000585097134 468965638 /nfs/dbraw/zinc/96/56/38/468965638.db2.gz HSEOVVNNUCVXQO-GOSISDBHSA-N 0 0 340.427 2.278 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@H]2C ZINC000585097341 468965707 /nfs/dbraw/zinc/96/57/07/468965707.db2.gz JCCJCHMMHHGCNQ-HNNXBMFYSA-N 0 0 343.427 2.363 40 0 EEABRN Cc1ncoc1C(=O)N1CCn2c(CCOCC3CC3)cnc2[C@@H]1C ZINC000585097072 468965742 /nfs/dbraw/zinc/96/57/42/468965742.db2.gz FIWRNIUYNNQEQW-ZDUSSCGKSA-N 0 0 344.415 2.366 40 0 EEABRN COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccccc1F)C2 ZINC000585112094 468975230 /nfs/dbraw/zinc/97/52/30/468975230.db2.gz KZGDCLIORLBRFD-LBPRGKRZSA-N 0 0 347.390 2.137 40 0 EEABRN NC(=O)c1ccc2c(n1)N(C(=O)c1coc(C3CCC3)n1)CCC2 ZINC000585114338 468976152 /nfs/dbraw/zinc/97/61/52/468976152.db2.gz AKWLWMIXRWIGHO-UHFFFAOYSA-N 0 0 326.356 2.029 40 0 EEABRN O=C([C@@H]1CCS(=O)(=O)C1)N1CCCCc2cc(Cl)ccc21 ZINC000585114418 468976713 /nfs/dbraw/zinc/97/67/13/468976713.db2.gz ZQJBRHCTKYCQPX-GFCCVEGCSA-N 0 0 327.833 2.444 40 0 EEABRN C[C@](O)(CNC(=O)Cc1ncc(Br)cc1Cl)C1CC1 ZINC000585141151 468990741 /nfs/dbraw/zinc/99/07/41/468990741.db2.gz QOAKEHJGAILFPI-ZDUSSCGKSA-N 0 0 347.640 2.317 40 0 EEABRN O=C(CCCc1ccncc1)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585271332 468997239 /nfs/dbraw/zinc/99/72/39/468997239.db2.gz GDBJFPPZBVTZPY-HXUWFJFHSA-N 0 0 340.423 2.447 40 0 EEABRN CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000585275744 469000553 /nfs/dbraw/zinc/00/05/53/469000553.db2.gz DUYXUCUZRMZLNB-LJQANCHMSA-N 0 0 343.427 2.347 40 0 EEABRN CO[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1Cc1ccccc1F ZINC000585277057 469001838 /nfs/dbraw/zinc/00/18/38/469001838.db2.gz LFIVCHMYMRZSMC-CJNGLKHVSA-N 0 0 345.374 2.041 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1Cc1ccccc1F ZINC000585277078 469002018 /nfs/dbraw/zinc/00/20/18/469002018.db2.gz LFIVCHMYMRZSMC-CZUORRHYSA-N 0 0 345.374 2.041 40 0 EEABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)c2nccn2C)C1 ZINC000585277876 469003809 /nfs/dbraw/zinc/00/38/09/469003809.db2.gz QPOXEPQYZLHYRB-GOSISDBHSA-N 0 0 329.400 2.039 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278820 469005298 /nfs/dbraw/zinc/00/52/98/469005298.db2.gz HBLZSTMAJSIIMX-MSOLQXFVSA-N 0 0 327.428 2.034 40 0 EEABRN Cc1ccn(CCC(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)n1 ZINC000585279774 469005831 /nfs/dbraw/zinc/00/58/31/469005831.db2.gz ORFIFNDBEGEIEB-MSOLQXFVSA-N 0 0 327.428 2.034 40 0 EEABRN Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585286334 469009310 /nfs/dbraw/zinc/00/93/10/469009310.db2.gz WMNUJCKUDKQIHR-HFBAOOFYSA-N 0 0 349.818 2.320 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585289631 469010934 /nfs/dbraw/zinc/01/09/34/469010934.db2.gz SQQYPMFGGSAINO-MRXNPFEDSA-N 0 0 325.767 2.372 40 0 EEABRN O=C(C=Cc1c[nH]cn1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290948 469011003 /nfs/dbraw/zinc/01/10/03/469011003.db2.gz JHFBJYCEYQYJHP-LDZGNZEFSA-N 0 0 341.411 2.290 40 0 EEABRN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@H]1COc2ccccc2O1 ZINC000390827162 485668293 /nfs/dbraw/zinc/66/82/93/485668293.db2.gz FHEHGYKZOALOLH-WMLDXEAASA-N 0 0 343.383 2.231 40 0 EEABRN Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2C(C)(C)C)on1 ZINC000072341127 490582790 /nfs/dbraw/zinc/58/27/90/490582790.db2.gz ZLRGWSPHHDITOC-UHFFFAOYSA-N 0 0 343.431 2.439 40 0 EEABRN COc1cc(CNC(=O)N2CCC(Cn3cccn3)CC2)ccc1O ZINC000155955453 533840068 /nfs/dbraw/zinc/84/00/68/533840068.db2.gz WRHYHRMHPDNOGZ-UHFFFAOYSA-N 0 0 344.415 2.219 40 0 EEABRN COc1ccccc1N1CC[C@@H](Sc2nc3cncnc3[nH]2)C1=O ZINC000186789107 534148325 /nfs/dbraw/zinc/14/83/25/534148325.db2.gz ZDTROEOPQPJVOO-CYBMUJFWSA-N 0 0 341.396 2.259 40 0 EEABRN CC(C)(C)OC(=O)N1CC(Cn2nc(C(F)(F)F)ccc2=O)C1 ZINC000225616348 534784117 /nfs/dbraw/zinc/78/41/17/534784117.db2.gz LAKUJTJVIHDWEI-UHFFFAOYSA-N 0 0 333.310 2.129 40 0 EEABRN CC(C)c1nnc(CCC(=O)N[C@H]2CCCN(c3ccccn3)C2)o1 ZINC000131153913 528417396 /nfs/dbraw/zinc/41/73/96/528417396.db2.gz JFFUKYZVIZGINN-AWEZNQCLSA-N 0 0 343.431 2.306 40 0 EEABRN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]12 ZINC000257246634 536301495 /nfs/dbraw/zinc/30/14/95/536301495.db2.gz IVAPNLWXUPDYBL-VNQPRFMTSA-N 0 0 342.468 2.454 40 0 EEABRN COc1ccccc1CC(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257221432 537016852 /nfs/dbraw/zinc/01/68/52/537016852.db2.gz DOZMPVRFKOAILB-SFHVURJKSA-N 0 0 341.411 2.245 40 0 EEABRN Cc1c2ncn(CC(=O)Nc3cc(C)ccc3Cl)c(=O)c2nn1C ZINC000032647335 1352382976 /nfs/dbraw/zinc/38/29/76/1352382976.db2.gz JHUWKHLHDWKLKG-UHFFFAOYSA-N 0 0 345.790 2.039 40 0 EEABRN O=c1nc2n(Cc3ccccc3)cccc-2c(=O)n1Cc1ccccn1 ZINC000032615416 1352383034 /nfs/dbraw/zinc/38/30/34/1352383034.db2.gz VLZGDJAKJLJNDU-UHFFFAOYSA-N 0 0 344.374 2.001 40 0 EEABRN O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCCC1)n1ccccc1=O ZINC000199403289 1406141891 /nfs/dbraw/zinc/14/18/91/1406141891.db2.gz HURRQULPGSSRPS-MRXNPFEDSA-N 0 0 328.343 2.034 40 0 EEABRN COC(=O)CNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000199417384 1406142113 /nfs/dbraw/zinc/14/21/13/1406142113.db2.gz NPAQLCCNUIOJSH-CYBMUJFWSA-N 0 0 334.416 2.454 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000055546784 214328098 /nfs/dbraw/zinc/32/80/98/214328098.db2.gz AQBQNMRTCPRRCH-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN CN1c2ccc(S(=O)(=O)NCc3ccco3)cc2C(C)(C)C1=O ZINC000057280251 214415426 /nfs/dbraw/zinc/41/54/26/214415426.db2.gz KBTQEWZQVVCQJX-UHFFFAOYSA-N 0 0 334.397 2.012 40 0 EEABRN Cc1ccc(-c2nnn(CC(=O)Nc3cnc4ccccc4c3)n2)o1 ZINC000004536984 210215064 /nfs/dbraw/zinc/21/50/64/210215064.db2.gz ZQASMGYIBAPJAG-UHFFFAOYSA-N 0 0 334.339 2.428 40 0 EEABRN O=C(Nc1nccs1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000004487152 210199935 /nfs/dbraw/zinc/19/99/35/210199935.db2.gz YXSOQGYKKCBUPN-UHFFFAOYSA-N 0 0 331.397 2.476 40 0 EEABRN CNC(=O)c1ccc(CN(C)C(=O)C2=Cc3ccccc3OC2)cc1 ZINC000065605808 214976733 /nfs/dbraw/zinc/97/67/33/214976733.db2.gz QYGVZCPKVNNJSF-UHFFFAOYSA-N 0 0 336.391 2.481 40 0 EEABRN CC(=O)N(Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000102883225 219237334 /nfs/dbraw/zinc/23/73/34/219237334.db2.gz CNKFWRHIVGSYBT-SFHVURJKSA-N 0 0 336.391 2.363 40 0 EEABRN O=C1CO[C@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 ZINC000067897080 215245862 /nfs/dbraw/zinc/24/58/62/215245862.db2.gz UZWCUEQWVAEBAD-MOPGFXCFSA-N 0 0 340.398 2.438 40 0 biogenic,in-vitro EEABRN COCCOCC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000068033280 215271768 /nfs/dbraw/zinc/27/17/68/215271768.db2.gz PHAAANYAORDLMV-CYBMUJFWSA-N 0 0 328.206 2.216 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCc2ccccc2[C@H]1CO ZINC000127139720 222798513 /nfs/dbraw/zinc/79/85/13/222798513.db2.gz BWPNVBDVDMGMFH-MRXNPFEDSA-N 0 0 325.364 2.190 40 0 EEABRN CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)Cc2ccccc21 ZINC000068860975 215341200 /nfs/dbraw/zinc/34/12/00/215341200.db2.gz ROHQVDPAUJJEJV-UHFFFAOYSA-N 0 0 347.422 2.419 40 0 EEABRN Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)c1cccs1 ZINC000040745927 213381665 /nfs/dbraw/zinc/38/16/65/213381665.db2.gz OUOFUMCZIJYJAV-UHFFFAOYSA-N 0 0 330.369 2.257 40 0 EEABRN O=C(CC1CCOCC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000181122122 234091005 /nfs/dbraw/zinc/09/10/05/234091005.db2.gz CEGZOCBLTDQYFO-AWEZNQCLSA-N 0 0 342.233 2.415 40 0 EEABRN CC(=O)Nc1ccc2c(c1)Cc1cc(N(CCO)CCO)ccc1-2 ZINC000001687571 209782622 /nfs/dbraw/zinc/78/26/22/209782622.db2.gz AJCMLFDCKWGHQR-UHFFFAOYSA-N 0 0 326.396 2.007 40 0 EEABRN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)s1 ZINC000038708341 213222303 /nfs/dbraw/zinc/22/23/03/213222303.db2.gz IZHXMJWYVSHSDK-UHFFFAOYSA-N 0 0 331.397 2.477 40 0 EEABRN COc1cc(NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)ncn1 ZINC000184025363 235288177 /nfs/dbraw/zinc/28/81/77/235288177.db2.gz VTUUDBQKVPFRCV-LBPRGKRZSA-N 0 0 347.444 2.457 40 0 EEABRN C[C@H](CNC(=O)c1cc(C2CC2)nc2c1cnn2C)Cn1cccn1 ZINC000036616447 213103177 /nfs/dbraw/zinc/10/31/77/213103177.db2.gz XBJAQTSCLIWTKY-GFCCVEGCSA-N 0 0 338.415 2.108 40 0 EEABRN CCn1cc([C@H]2CN(C(=O)N[C@H](C)c3cccc(O)c3)CCO2)cn1 ZINC000188879148 236689238 /nfs/dbraw/zinc/68/92/38/236689238.db2.gz HNEBYARPMAAEPC-CXAGYDPISA-N 0 0 344.415 2.453 40 0 EEABRN Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007602628 236894520 /nfs/dbraw/zinc/89/45/20/236894520.db2.gz NHVWTOBYIKONRP-UHFFFAOYSA-N 0 0 348.769 2.371 40 0 EEABRN Cc1ccccc1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000072237900 216076177 /nfs/dbraw/zinc/07/61/77/216076177.db2.gz SDNGXJZXGUZKGB-RBUKOAKNSA-N 0 0 338.407 2.210 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000072237936 216076832 /nfs/dbraw/zinc/07/68/32/216076832.db2.gz VNROFVJLPCNPCZ-DLBZAZTESA-N 0 0 328.343 2.363 40 0 EEABRN CCCCCC(=O)Nc1ccc([C@H]2OCC(=O)N(C)[C@@H]2CO)cc1 ZINC000072321444 216149656 /nfs/dbraw/zinc/14/96/56/216149656.db2.gz JAQRNPFMUPZJQR-CRAIPNDOSA-N 0 0 334.416 2.096 40 0 biogenic,in-vitro EEABRN Cc1ccc(Oc2nccnc2C2CCN(CC(N)=O)CC2)cc1 ZINC000072361849 216168797 /nfs/dbraw/zinc/16/87/97/216168797.db2.gz QOLLHHXMHNUUSD-UHFFFAOYSA-N 0 0 326.400 2.242 40 0 EEABRN CNc1cncc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072384915 216185990 /nfs/dbraw/zinc/18/59/90/216185990.db2.gz QUKWFJSAKDVUAL-CQSZACIVSA-N 0 0 336.392 2.183 40 0 EEABRN Cc1cc(Nc2cnccn2)nc([C@H]2CCN(c3ncccn3)C2)n1 ZINC000072382562 216183361 /nfs/dbraw/zinc/18/33/61/216183361.db2.gz UADHZAMHEUIXSW-ZDUSSCGKSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@]1(C)c1nccc(C)n1 ZINC000072388572 216189175 /nfs/dbraw/zinc/18/91/75/216189175.db2.gz JBHLXWBLDANZML-OAHLLOKOSA-N 0 0 336.417 2.090 40 0 EEABRN Cc1nc2c(s1)[C@@H](N(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000072631423 216285802 /nfs/dbraw/zinc/28/58/02/216285802.db2.gz XNMDNPYSVSBZSS-ZOWXZIJZSA-N 0 0 337.489 2.397 40 0 EEABRN C[C@@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@@H]1c1cccs1)C1CC1 ZINC000072800417 216308309 /nfs/dbraw/zinc/30/83/09/216308309.db2.gz APHQVWLQIDGXIG-SJCJKPOMSA-N 0 0 347.484 2.011 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000193497160 240187651 /nfs/dbraw/zinc/18/76/51/240187651.db2.gz ODWUPIQJEMBKNM-ZIAGYGMSSA-N 0 0 330.494 2.421 40 0 EEABRN CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccco1)cn2C ZINC000022237131 212283560 /nfs/dbraw/zinc/28/35/60/212283560.db2.gz AEZNANNRFKTSJQ-UHFFFAOYSA-N 0 0 326.352 2.460 40 0 EEABRN Cc1cccc(NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1Br ZINC000194149563 240455929 /nfs/dbraw/zinc/45/59/29/240455929.db2.gz FNXFMPSPEMLPHL-SKDRFNHKSA-N 0 0 340.221 2.404 40 0 EEABRN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000195529825 240981351 /nfs/dbraw/zinc/98/13/51/240981351.db2.gz XGQDLNAOBYARGT-DZGCQCFKSA-N 0 0 333.432 2.060 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000195566095 241015524 /nfs/dbraw/zinc/01/55/24/241015524.db2.gz FRASQJUHHOGUSS-IUODEOHRSA-N 0 0 349.406 2.031 40 0 EEABRN Cc1cc(N(C)C)nc(CNC(=O)c2ccc(Br)o2)n1 ZINC000211098023 241079110 /nfs/dbraw/zinc/07/91/10/241079110.db2.gz CETVKKRIYXNVII-UHFFFAOYSA-N 0 0 339.193 2.137 40 0 EEABRN COC(=O)[C@@H]1CCCN1c1ccc2nnc(-c3ccccc3F)n2n1 ZINC000225491892 241896168 /nfs/dbraw/zinc/89/61/68/241896168.db2.gz RVOUPZXPLKIHRY-ZDUSSCGKSA-N 0 0 341.346 2.072 40 0 EEABRN CNc1nc(C)cc(C(=O)Nc2ccccc2O[C@@H]2CCOC2)n1 ZINC000225562408 241930910 /nfs/dbraw/zinc/93/09/10/241930910.db2.gz CXTKYGPWVFFGQF-GFCCVEGCSA-N 0 0 328.372 2.247 40 0 EEABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)CN1CCCC1=O ZINC000225885257 242069182 /nfs/dbraw/zinc/06/91/82/242069182.db2.gz ASHUHIYOMJEIAG-JTQLQIEISA-N 0 0 337.217 2.349 40 0 EEABRN Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2)n1 ZINC000225928964 242077082 /nfs/dbraw/zinc/07/70/82/242077082.db2.gz KCQKPPIKQFFHFJ-UHFFFAOYSA-N 0 0 343.456 2.108 40 0 EEABRN Cc1ccc(C2=NO[C@@H](CNC(=O)NCCc3ccccn3)C2)cc1 ZINC000225744672 242015480 /nfs/dbraw/zinc/01/54/80/242015480.db2.gz SENWETROVZKGOB-QGZVFWFLSA-N 0 0 338.411 2.425 40 0 EEABRN Cc1nccn1CCCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749143 242110629 /nfs/dbraw/zinc/11/06/29/242110629.db2.gz AKSNVDCRMFZKPB-SFHVURJKSA-N 0 0 344.390 2.420 40 0 EEABRN c1nncn1N1CN(Cc2ccccc2)Cn2c3ccccc3nc21 ZINC000020637300 212159233 /nfs/dbraw/zinc/15/92/33/212159233.db2.gz GNXWEPAUUAXCHK-UHFFFAOYSA-N 0 0 331.383 2.328 40 0 EEABRN O=C(Nc1cccc(CN2CCOCC2)c1)c1ccn(C(F)F)n1 ZINC000020528436 212143363 /nfs/dbraw/zinc/14/33/63/212143363.db2.gz WYKAKLLVOXZMRD-UHFFFAOYSA-N 0 0 336.342 2.363 40 0 EEABRN CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1sccc1C)C2 ZINC000253599617 244030557 /nfs/dbraw/zinc/03/05/57/244030557.db2.gz RSLWODHJJPOLQY-CYBMUJFWSA-N 0 0 329.487 2.082 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCC[C@H](c2ccncn2)C1 ZINC000257202404 244123991 /nfs/dbraw/zinc/12/39/91/244123991.db2.gz ALQYHAHHAHIAOV-ZDUSSCGKSA-N 0 0 325.368 2.268 40 0 EEABRN Cc1noc(C)c1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257222892 244191862 /nfs/dbraw/zinc/19/18/62/244191862.db2.gz DVACDOGYHWDYCY-HNNXBMFYSA-N 0 0 330.388 2.182 40 0 EEABRN CN(C(=O)CCCn1ccnc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257231807 244216135 /nfs/dbraw/zinc/21/61/35/244216135.db2.gz GIHBRESHGFVRBI-INIZCTEOSA-N 0 0 327.432 2.186 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257245793 244254858 /nfs/dbraw/zinc/25/48/58/244254858.db2.gz IRCOOLKRTHXITG-AWEZNQCLSA-N 0 0 327.384 2.140 40 0 EEABRN O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1cccc(-n2cnnc2)c1 ZINC000257245812 244255279 /nfs/dbraw/zinc/25/52/79/244255279.db2.gz IREIRFDUZKVWJS-MRXNPFEDSA-N 0 0 348.410 2.061 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H](c2cnccn2)C1 ZINC000257232878 244219163 /nfs/dbraw/zinc/21/91/63/244219163.db2.gz GMUVWXVJILMBRB-INIZCTEOSA-N 0 0 337.427 2.492 40 0 EEABRN Cc1nccc([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257236147 244228393 /nfs/dbraw/zinc/22/83/93/244228393.db2.gz HAZFJHXWCKIWRS-MRXNPFEDSA-N 0 0 348.410 2.386 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)n1 ZINC000257240770 244240666 /nfs/dbraw/zinc/24/06/66/244240666.db2.gz HVDIGHWGOQIYJL-AWEZNQCLSA-N 0 0 336.399 2.143 40 0 EEABRN CCc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1 ZINC000020108996 212102149 /nfs/dbraw/zinc/10/21/49/212102149.db2.gz URUPNINUUPOKRQ-UHFFFAOYSA-N 0 0 338.473 2.416 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@H](Cc3nccnc3N(C)C)C2)n1 ZINC000257254127 244276633 /nfs/dbraw/zinc/27/66/33/244276633.db2.gz KBSVUORIDNPAQH-OAHLLOKOSA-N 0 0 326.448 2.409 40 0 EEABRN CN(C(=O)COc1ccccc1C(C)(C)C)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257255833 244281490 /nfs/dbraw/zinc/28/14/90/244281490.db2.gz KJAQQCFAMJZDJF-IIDMSEBBSA-N 0 0 335.444 2.096 40 0 EEABRN Cc1cc(N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)ncn1 ZINC000257272888 244383694 /nfs/dbraw/zinc/38/36/94/244383694.db2.gz NEFQFCMDYPHLBS-MRXNPFEDSA-N 0 0 327.432 2.084 40 0 EEABRN CC(C)n1cc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 ZINC000257277271 244398072 /nfs/dbraw/zinc/39/80/72/244398072.db2.gz NXDZRVCMQVWQJI-ZDUSSCGKSA-N 0 0 349.460 2.060 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCOC[C@H]1CCc1cnccn1 ZINC000257284438 244416720 /nfs/dbraw/zinc/41/67/20/244416720.db2.gz PCSBAVDTGKHHLQ-OAHLLOKOSA-N 0 0 344.415 2.370 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2csc(C)n2)[C@H](c2ccccc2)C1 ZINC000257326490 244535040 /nfs/dbraw/zinc/53/50/40/244535040.db2.gz WXJQHCVNIWIXDO-KRWDZBQOSA-N 0 0 343.452 2.426 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000257342200 244574424 /nfs/dbraw/zinc/57/44/24/244574424.db2.gz ZNNILLCTBABHEV-ZDUSSCGKSA-N 0 0 344.390 2.058 40 0 EEABRN CCOC(=O)c1sc(Nc2nc3c(c(=O)[nH]2)CCCC3)nc1C ZINC000019819604 212071831 /nfs/dbraw/zinc/07/18/31/212071831.db2.gz BJDVLPMRCQFQMX-UHFFFAOYSA-N 0 0 334.401 2.334 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)o1 ZINC000019748093 212061183 /nfs/dbraw/zinc/06/11/83/212061183.db2.gz MWRPHRPQJFPFSN-MRXNPFEDSA-N 0 0 341.411 2.112 40 0 EEABRN Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H](C)c1ccccn1 ZINC000019658171 212053929 /nfs/dbraw/zinc/05/39/29/212053929.db2.gz MNMBDMSZDYGVFD-NSHDSACASA-N 0 0 332.429 2.174 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3ncnn32)cc1 ZINC000019554193 212040500 /nfs/dbraw/zinc/04/05/00/212040500.db2.gz FRJFMFLMSSICCU-HNNXBMFYSA-N 0 0 337.383 2.039 40 0 EEABRN COc1ccccc1/C=C1/SC(=O)N(CN2CCOCC2)C1=O ZINC000019287136 212009715 /nfs/dbraw/zinc/00/97/15/212009715.db2.gz HYUIQKVBEVTGGI-GXDHUFHOSA-N 0 0 334.397 2.021 40 0 EEABRN CCc1noc(CS(=O)(=O)c2nccn2-c2cccc(C)c2C)n1 ZINC000078442008 217053533 /nfs/dbraw/zinc/05/35/33/217053533.db2.gz SCNWMQCQFUFWMK-UHFFFAOYSA-N 0 0 346.412 2.408 40 0 EEABRN NC(=O)c1csc(NC(=O)COc2ccc(C(F)(F)F)cc2)n1 ZINC000078796441 217124073 /nfs/dbraw/zinc/12/40/73/217124073.db2.gz BOAJVRGFRUSRTP-UHFFFAOYSA-N 0 0 345.302 2.278 40 0 EEABRN CCc1nc(CN2CCN(C(=O)c3csc(C(C)C)n3)CC2)no1 ZINC000078912471 217146342 /nfs/dbraw/zinc/14/63/42/217146342.db2.gz MVZZEMUAKSBZBY-UHFFFAOYSA-N 0 0 349.460 2.170 40 0 EEABRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(C2CC2)n[nH]1 ZINC000078915799 217147663 /nfs/dbraw/zinc/14/76/63/217147663.db2.gz MBDLAVSJLQQWFO-GFCCVEGCSA-N 0 0 344.802 2.476 40 0 EEABRN COc1ccc(CC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000078997742 217169751 /nfs/dbraw/zinc/16/97/51/217169751.db2.gz JDYSAHJCELSIKV-INIZCTEOSA-N 0 0 342.370 2.299 40 0 EEABRN CC(=O)Nc1ccc(F)c(C(=O)N(CCO)CCc2ccccc2)c1 ZINC000079036721 217178704 /nfs/dbraw/zinc/17/87/04/217178704.db2.gz CQYWMRYRTLZMAD-UHFFFAOYSA-N 0 0 344.386 2.461 40 0 EEABRN CC(C)n1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)n1 ZINC000079043929 217180935 /nfs/dbraw/zinc/18/09/35/217180935.db2.gz RIXKBRYCAPFXHC-UHFFFAOYSA-N 0 0 335.433 2.005 40 0 EEABRN CCn1cnnc1CCNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079049491 217181555 /nfs/dbraw/zinc/18/15/55/217181555.db2.gz MFVFBXUCBFKNCW-SNVBAGLBSA-N 0 0 340.786 2.217 40 0 EEABRN CCOC[C@H]1CCCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000079306001 217205372 /nfs/dbraw/zinc/20/53/72/217205372.db2.gz QWCNHSDCTICTJC-HNNXBMFYSA-N 0 0 334.464 2.220 40 0 EEABRN C[C@@H]1CN(c2cc(NC3CC3)ncn2)CCN1C(=O)OC(C)(C)C ZINC000079439490 217224702 /nfs/dbraw/zinc/22/47/02/217224702.db2.gz LELXUWRMTZGDNT-GFCCVEGCSA-N 0 0 333.436 2.497 40 0 EEABRN Cn1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1=O ZINC000080312353 217296065 /nfs/dbraw/zinc/29/60/65/217296065.db2.gz UIPNVLBFTFUZDC-PKOBYXMFSA-N 0 0 348.406 2.240 40 0 EEABRN C[C@@H](CCN1CCOCC1)NC(=O)[C@@H]1SCCc2sccc21 ZINC000080263810 217292537 /nfs/dbraw/zinc/29/25/37/217292537.db2.gz NSGZBGZVZNLMMM-SWLSCSKDSA-N 0 0 340.514 2.306 40 0 EEABRN COc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1OC ZINC000014257580 211725715 /nfs/dbraw/zinc/72/57/15/211725715.db2.gz PPEOKOZNWPQYCC-UHFFFAOYSA-N 0 0 331.397 2.335 40 0 EEABRN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ccccc1O)CS2 ZINC000085473868 217673742 /nfs/dbraw/zinc/67/37/42/217673742.db2.gz SYTMDHYTOXQIPH-NSHDSACASA-N 0 0 345.424 2.180 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@H](CO)C1)c1ccc(Oc2ccccc2)cc1 ZINC000085469292 217671958 /nfs/dbraw/zinc/67/19/58/217671958.db2.gz XVUWLRGLEXEMPP-HDMKZQKVSA-N 0 0 327.380 2.341 40 0 EEABRN Cc1nnc(SCC(=O)Nc2nc(C)c3c(n2)CCCC3=O)s1 ZINC000013635956 211595681 /nfs/dbraw/zinc/59/56/81/211595681.db2.gz HUAUFLSBZUAIHM-UHFFFAOYSA-N 0 0 349.441 2.195 40 0 EEABRN Cc1noc(CCCNC(=O)c2c[nH]nc2-c2ccccc2F)n1 ZINC000087272684 217722349 /nfs/dbraw/zinc/72/23/49/217722349.db2.gz IVLZWAMNROZYSX-UHFFFAOYSA-N 0 0 329.335 2.270 40 0 EEABRN Cc1ccc(CCC(=O)NCCc2nnc(-c3ccncc3)[nH]2)o1 ZINC000012338311 211352892 /nfs/dbraw/zinc/35/28/92/211352892.db2.gz PTPCTWHHABFMKE-UHFFFAOYSA-N 0 0 325.372 2.060 40 0 EEABRN Cc1oc(-c2ccc(F)cc2)nc1C(=O)NC[C@@H](C)n1cncn1 ZINC000012201582 211319269 /nfs/dbraw/zinc/31/92/69/211319269.db2.gz LTHVXXCKVRYYAS-SNVBAGLBSA-N 0 0 329.335 2.372 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012143322 211305397 /nfs/dbraw/zinc/30/53/97/211305397.db2.gz TZYUZJWEDUPVLM-NSHDSACASA-N 0 0 346.774 2.448 40 0 EEABRN CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)C(C)C ZINC000012144940 211304224 /nfs/dbraw/zinc/30/42/24/211304224.db2.gz BGYLQUDGKZMEIL-OAHLLOKOSA-N 0 0 343.427 2.470 40 0 EEABRN COc1cccc(CC(=O)N2CCC(O)(c3cccnc3)CC2)c1 ZINC000012113234 211293352 /nfs/dbraw/zinc/29/33/52/211293352.db2.gz JQEWZPXRZQVRLB-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN C[S@](=O)CCNC(=O)Cn1c(-c2cccs2)cc2cccnc21 ZINC000012148117 211308240 /nfs/dbraw/zinc/30/82/40/211308240.db2.gz IRISXFOADXNKMX-HSZRJFAPSA-N 0 0 347.465 2.260 40 0 EEABRN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc1 ZINC000012146048 211306638 /nfs/dbraw/zinc/30/66/38/211306638.db2.gz DXAIFRJHBDGVEG-AWEZNQCLSA-N 0 0 327.384 2.164 40 0 EEABRN COc1sc(CN2C[C@@H](CO)OC[C@@H]2C)cc1Br ZINC000092041591 218108985 /nfs/dbraw/zinc/10/89/85/218108985.db2.gz JYQASHHXDIYOMW-IUCAKERBSA-N 0 0 336.251 2.101 40 0 EEABRN Cc1cn2c(ncc(C(=O)N3CCC[C@H]3c3ccncc3)c2=O)s1 ZINC000092878292 218178363 /nfs/dbraw/zinc/17/83/63/218178363.db2.gz WPJJLVBGHZHCNH-AWEZNQCLSA-N 0 0 340.408 2.437 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc4nnnn4n3)cc2)n1 ZINC000095413781 218351308 /nfs/dbraw/zinc/35/13/08/218351308.db2.gz YRKKYDZJVGLVBY-CYBMUJFWSA-N 0 0 334.387 2.495 40 0 EEABRN Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449223 218392936 /nfs/dbraw/zinc/39/29/36/218392936.db2.gz AJKAQYIBVNBQHI-GDBMZVCRSA-N 0 0 332.354 2.238 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccsc1 ZINC000096060562 218553546 /nfs/dbraw/zinc/55/35/46/218553546.db2.gz IEZBJWQMBCDPPY-CQSZACIVSA-N 0 0 332.429 2.136 40 0 EEABRN Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccsc4)C[C@H]3O2)no1 ZINC000096070632 218569230 /nfs/dbraw/zinc/56/92/30/218569230.db2.gz SDTMZYUYPCOFPF-BFHYXJOUSA-N 0 0 333.413 2.361 40 0 EEABRN O=C(c1cocn1)N1CCC2(CO[C@H](COc3cccnc3)C2)CC1 ZINC000096106130 218597787 /nfs/dbraw/zinc/59/77/87/218597787.db2.gz IZXMCTJOWWMINQ-HNNXBMFYSA-N 0 0 343.383 2.160 40 0 EEABRN COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)ncn1 ZINC000096184784 218648138 /nfs/dbraw/zinc/64/81/38/218648138.db2.gz QQNACOQTWIAMBO-QWHCGFSZSA-N 0 0 330.413 2.040 40 0 EEABRN Cc1ccc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)o1 ZINC000096196697 218664700 /nfs/dbraw/zinc/66/47/00/218664700.db2.gz TZQACMWVRSMUFF-UHFFFAOYSA-N 0 0 326.396 2.401 40 0 EEABRN C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096454233 218837536 /nfs/dbraw/zinc/83/75/36/218837536.db2.gz SNILDWRAENTVDO-MOJYJUKOSA-N 0 0 326.371 2.442 40 0 EEABRN Cc1ccc(Br)c(NC(=O)N(C)CC(C)(CO)CO)c1 ZINC000096491539 218869125 /nfs/dbraw/zinc/86/91/25/218869125.db2.gz LFPMKVRJBVZLTM-UHFFFAOYSA-N 0 0 345.237 2.212 40 0 EEABRN CN(C(=O)c1ccco1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000096492674 218869482 /nfs/dbraw/zinc/86/94/82/218869482.db2.gz FDDOGRSFDKVWKA-GFCCVEGCSA-N 0 0 337.173 2.341 40 0 EEABRN CCOC(=O)CSc1nnc(Cc2ccccc2)n1CCOC ZINC000005045904 210374105 /nfs/dbraw/zinc/37/41/05/210374105.db2.gz JTQYQSKCGWOSBN-UHFFFAOYSA-N 0 0 335.429 2.171 40 0 EEABRN COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000130815622 533068230 /nfs/dbraw/zinc/06/82/30/533068230.db2.gz DWGCBSKWJVMBTE-OAHLLOKOSA-N 0 0 341.411 2.498 40 0 EEABRN COCCNC(=O)CSc1ccc(-c2ccc(OC)cc2)nn1 ZINC000004966277 210341455 /nfs/dbraw/zinc/34/14/55/210341455.db2.gz RQBCXOISJWEJLD-UHFFFAOYSA-N 0 0 333.413 2.007 40 0 EEABRN COC[C@H](O)CN(C)C(=O)c1cccc(Br)c1Cl ZINC000097236262 219001988 /nfs/dbraw/zinc/00/19/88/219001988.db2.gz DIIUOXZHMPURHZ-MRVPVSSYSA-N 0 0 336.613 2.182 40 0 EEABRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3cnncc3c2)C1 ZINC000408975631 257884512 /nfs/dbraw/zinc/88/45/12/257884512.db2.gz BNSQDFCBDJGAPX-MRXNPFEDSA-N 0 0 340.427 2.350 40 0 EEABRN COc1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000408707522 533575536 /nfs/dbraw/zinc/57/55/36/533575536.db2.gz NWVJTYYVEGBBLH-CQSZACIVSA-N 0 0 326.396 2.231 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096198138 285460624 /nfs/dbraw/zinc/46/06/24/285460624.db2.gz XAXUBLIZBUQVFL-OAHLLOKOSA-N 0 0 326.400 2.074 40 0 EEABRN O=S(=O)(c1cn[nH]c1)N1CCc2cc(Br)cc(F)c21 ZINC000178145731 296474023 /nfs/dbraw/zinc/47/40/23/296474023.db2.gz YIZJEWCVEUIGCF-UHFFFAOYSA-N 0 0 346.181 2.063 40 0 EEABRN CN(C)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cn1 ZINC000044894726 132415855 /nfs/dbraw/zinc/41/58/55/132415855.db2.gz NRMJYCOGBBPOMQ-UHFFFAOYSA-N 0 0 337.383 2.269 40 0 EEABRN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173464928 152167888 /nfs/dbraw/zinc/16/78/88/152167888.db2.gz LNLOIYXSNDEJBP-CXAGYDPISA-N 0 0 348.491 2.265 40 0 EEABRN CN(C(=O)C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC000263150012 152388007 /nfs/dbraw/zinc/38/80/07/152388007.db2.gz NOUICKXQPONWKQ-VQIMIIECSA-N 0 0 330.428 2.319 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccccn2)cc1 ZINC000257234048 286363560 /nfs/dbraw/zinc/36/35/60/286363560.db2.gz GRWOPQBPJKHYLE-IBGZPJMESA-N 0 0 325.412 2.496 40 0 EEABRN CCn1ccnc1CN1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186547510 160075396 /nfs/dbraw/zinc/07/53/96/160075396.db2.gz BZIVROGYYUPICE-UHFFFAOYSA-N 0 0 328.464 2.447 40 0 EEABRN Cc1nc2sccn2c(=O)c1CCN1C[C@H](O)Cc2ccccc21 ZINC000285146724 274684970 /nfs/dbraw/zinc/68/49/70/274684970.db2.gz BAQOILUTKSKHBW-CQSZACIVSA-N 0 0 341.436 2.031 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCCc2c[nH]nc21)n1ccc2ccccc2c1=O ZINC000288335917 275047846 /nfs/dbraw/zinc/04/78/46/275047846.db2.gz VOYPOOZYWOZSPT-LRDDRELGSA-N 0 0 336.395 2.479 40 0 EEABRN CCCN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O ZINC000101129005 276003654 /nfs/dbraw/zinc/00/36/54/276003654.db2.gz ZXOJBJSXZAKOQH-ULQDDVLXSA-N 0 0 337.379 2.338 40 0 EEABRN COc1cc(NC(=S)NC(C)=O)ccc1NC(=O)c1ccco1 ZINC000009064201 277385295 /nfs/dbraw/zinc/38/52/95/277385295.db2.gz RIDLYONDEBSINR-UHFFFAOYSA-N 0 0 333.369 2.373 40 0 EEABRN COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2ccnc(C)n2)c1 ZINC000257200795 278022593 /nfs/dbraw/zinc/02/25/93/278022593.db2.gz AEYNZULRKATSAS-QGZVFWFLSA-N 0 0 349.394 2.387 40 0 EEABRN CS(=O)(=O)N1CCCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000079353687 278109332 /nfs/dbraw/zinc/10/93/32/278109332.db2.gz FHEYWLIONLLICN-UHFFFAOYSA-N 0 0 339.848 2.360 40 0 EEABRN Cc1c(-c2ccnc3cc(C(=O)Nc4nccs4)nn32)cnn1C ZINC000002792683 280195665 /nfs/dbraw/zinc/19/56/65/280195665.db2.gz FQGZFYUKTQRFTQ-UHFFFAOYSA-N 0 0 339.384 2.147 40 0 EEABRN Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)n(C)n1 ZINC000071195656 280359850 /nfs/dbraw/zinc/35/98/50/280359850.db2.gz IECVFBVSMXJZFE-AWEZNQCLSA-N 0 0 336.399 2.117 40 0 EEABRN C[C@@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1C1CCOCC1 ZINC000253591317 289099371 /nfs/dbraw/zinc/09/93/71/289099371.db2.gz MCJZHQGTGLDVHE-CYBMUJFWSA-N 0 0 332.448 2.111 40 0 EEABRN Cn1c(C(=O)N2CCS(=O)CC2)cc2cc(C(F)(F)F)ccc21 ZINC000096430896 294149654 /nfs/dbraw/zinc/14/96/54/294149654.db2.gz REJVAPKCFSGRII-UHFFFAOYSA-N 0 0 344.358 2.402 40 0 EEABRN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCc2cnccc21 ZINC000183657278 295444951 /nfs/dbraw/zinc/44/49/51/295444951.db2.gz SFCKXEQRNOBGFT-HNNXBMFYSA-N 0 0 331.441 2.062 40 0 EEABRN Cc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000041122700 302855384 /nfs/dbraw/zinc/85/53/84/302855384.db2.gz NQKNUWBOXZHTNC-CYBMUJFWSA-N 0 0 325.365 2.433 40 0 EEABRN Fc1cccc(N2CCC[C@@]3(C2)CN(c2ncccn2)CCO3)c1 ZINC000096049089 303134994 /nfs/dbraw/zinc/13/49/94/303134994.db2.gz MCFDDPWKBRKXIW-GOSISDBHSA-N 0 0 328.391 2.492 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 ZINC000085436605 462547481 /nfs/dbraw/zinc/54/74/81/462547481.db2.gz HRRZNZGGHLPDJQ-SFHVURJKSA-N 0 0 332.444 2.003 40 0 EEABRN O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(Cl)cc3)CCN12 ZINC000085436212 462547504 /nfs/dbraw/zinc/54/75/04/462547504.db2.gz QBEVYPRPBZSZRU-QGZVFWFLSA-N 0 0 349.862 2.441 40 0 biogenic,in-vitro EEABRN Cn1nc(CNC(=O)c2ccc3c(c2)OCO3)cc1-c1ccncc1 ZINC000085556249 462552871 /nfs/dbraw/zinc/55/28/71/462552871.db2.gz GKKVOPLPXOTZQZ-UHFFFAOYSA-N 0 0 336.351 2.141 40 0 EEABRN O=S(=O)(NCc1ccc([C@H](O)c2cccs2)s1)C1CC1 ZINC000085562230 462553929 /nfs/dbraw/zinc/55/39/29/462553929.db2.gz RIXLSPVMDQCKCR-CYBMUJFWSA-N 0 0 329.468 2.473 40 0 EEABRN Cc1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O ZINC000000574481 462571396 /nfs/dbraw/zinc/57/13/96/462571396.db2.gz DPPNIXDINKAMQT-UHFFFAOYSA-N 0 0 346.452 2.438 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)C(=O)C2)cc1 ZINC000001347454 462579467 /nfs/dbraw/zinc/57/94/67/462579467.db2.gz FWYKLGXQKTUQKN-UHFFFAOYSA-N 0 0 348.399 2.172 40 0 EEABRN Cn1cc(NC(=O)CC[C@@H]2CCCO2)cc(Br)c1=O ZINC000088213538 462615306 /nfs/dbraw/zinc/61/53/06/462615306.db2.gz BSTSQDLYWCYRMF-JTQLQIEISA-N 0 0 329.194 2.046 40 0 EEABRN CCCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000113966840 462618693 /nfs/dbraw/zinc/61/86/93/462618693.db2.gz OIEYCRFEKBBEQL-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN C[C@H](C(=O)NC1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956861 462618813 /nfs/dbraw/zinc/61/88/13/462618813.db2.gz HNMZPDCZARRYOE-SNVBAGLBSA-N 0 0 346.399 2.178 40 0 EEABRN OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000004305801 462630107 /nfs/dbraw/zinc/63/01/07/462630107.db2.gz LIHCUFZIUGBQAA-GCSSGZNBSA-N 0 0 340.416 2.224 40 0 EEABRN Cc1noc(C2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)n1 ZINC000046087460 462646201 /nfs/dbraw/zinc/64/62/01/462646201.db2.gz YWSSLEUQKJTWKH-UHFFFAOYSA-N 0 0 341.371 2.236 40 0 EEABRN CC1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC1 ZINC000046089300 462647067 /nfs/dbraw/zinc/64/70/67/462647067.db2.gz ASQAPNOAOHXQBE-UHFFFAOYSA-N 0 0 338.429 2.217 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)Nc2cccc(OC)c2)cc1 ZINC000005184156 462649299 /nfs/dbraw/zinc/64/92/99/462649299.db2.gz FKKVIEDVSXZGJN-UHFFFAOYSA-N 0 0 328.368 2.001 40 0 EEABRN COC(=O)c1ccsc1N1CC[C@@H](N(C)Cc2ccco2)C1=O ZINC000074980743 462662360 /nfs/dbraw/zinc/66/23/60/462662360.db2.gz JSKVCBBMYVEPSY-CYBMUJFWSA-N 0 0 334.397 2.365 40 0 EEABRN COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2ccncc2)cc1F ZINC000005812952 462670249 /nfs/dbraw/zinc/67/02/49/462670249.db2.gz SFAZIUVQLCLFEE-INIZCTEOSA-N 0 0 347.371 2.148 40 0 EEABRN COc1ccc(-c2ccnc(S[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000005917833 462672158 /nfs/dbraw/zinc/67/21/58/462672158.db2.gz VRAIMWGCTJDFLX-CYBMUJFWSA-N 0 0 336.438 2.431 40 0 EEABRN CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006778971 462704083 /nfs/dbraw/zinc/70/40/83/462704083.db2.gz YOBPBUBMOQFSBY-QMMMGPOBSA-N 0 0 339.244 2.186 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)NC[C@H](O)C1CCCCC1 ZINC000075155616 462688017 /nfs/dbraw/zinc/68/80/17/462688017.db2.gz RCFNVNCWVODICR-AWEZNQCLSA-N 0 0 327.446 2.223 40 0 EEABRN O=C(Cn1cccn1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000075165267 462689449 /nfs/dbraw/zinc/68/94/49/462689449.db2.gz RNUNAEQDLUDZKY-UHFFFAOYSA-N 0 0 343.412 2.401 40 0 EEABRN CCCCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000006597232 462692428 /nfs/dbraw/zinc/69/24/28/462692428.db2.gz FFFPUOMOJLMUJC-ZDUSSCGKSA-N 0 0 342.461 2.156 40 0 EEABRN Nc1ccc([C@H](c2ccccc2)c2nc(N)nc(N)n2)c(Cl)c1 ZINC000006927644 462713345 /nfs/dbraw/zinc/71/33/45/462713345.db2.gz PPLMYCJDGWEDPH-ZDUSSCGKSA-N 0 0 326.791 2.452 40 0 EEABRN Cc1noc(CNC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1 ZINC000089815578 462723078 /nfs/dbraw/zinc/72/30/78/462723078.db2.gz BBJBRFFYCFBDSD-UHFFFAOYSA-N 0 0 337.326 2.021 40 0 EEABRN COc1cc(CNc2nnnn2C)ccc1OCc1cccs1 ZINC000007602647 462740885 /nfs/dbraw/zinc/74/08/85/462740885.db2.gz LOIPMTLILUHVLK-UHFFFAOYSA-N 0 0 331.401 2.471 40 0 EEABRN O=C(Nc1ccnn1Cc1ccsc1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000075724041 462754662 /nfs/dbraw/zinc/75/46/62/462754662.db2.gz ABVRXUXEEPMEBT-AWEZNQCLSA-N 0 0 344.440 2.190 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1 ZINC000008057748 462764743 /nfs/dbraw/zinc/76/47/43/462764743.db2.gz RKVCEPAFIFCIMO-UHFFFAOYSA-N 0 0 326.462 2.147 40 0 EEABRN CNC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000008221787 462773307 /nfs/dbraw/zinc/77/33/07/462773307.db2.gz RBWJYRUGSRVIOT-AWEZNQCLSA-N 0 0 346.452 2.405 40 0 EEABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000076377393 462850924 /nfs/dbraw/zinc/85/09/24/462850924.db2.gz NWBQEIWKLPHXSN-VMFRVMOISA-N 0 0 325.405 2.311 40 0 EEABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NC1CCCCC1 ZINC000013582772 462895959 /nfs/dbraw/zinc/89/59/59/462895959.db2.gz BUYIHSGIIZDUIN-UHFFFAOYSA-N 0 0 340.445 2.154 40 0 EEABRN CC[C@@H](C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715082 462900845 /nfs/dbraw/zinc/90/08/45/462900845.db2.gz ZBUGBHHFEKDKHM-ZDUSSCGKSA-N 0 0 330.425 2.285 40 0 EEABRN CCCCNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715671 462902314 /nfs/dbraw/zinc/90/23/14/462902314.db2.gz XFSSUXWOKRAICE-AWEZNQCLSA-N 0 0 330.425 2.287 40 0 EEABRN Cn1cc(COC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cn1 ZINC000076871933 462918582 /nfs/dbraw/zinc/91/85/82/462918582.db2.gz WEKZOHGVMXSKCR-IBGZPJMESA-N 0 0 341.411 2.406 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)CCCO ZINC000133425287 462930275 /nfs/dbraw/zinc/93/02/75/462930275.db2.gz HUGFJIQVWYTBRQ-SNVBAGLBSA-N 0 0 336.251 2.197 40 0 EEABRN O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)N1CCCCC1 ZINC000015052771 462939876 /nfs/dbraw/zinc/93/98/76/462939876.db2.gz NTZJUCQDFQUDIE-UVTDQMKNSA-N 0 0 346.408 2.441 40 0 EEABRN CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000015389534 462950425 /nfs/dbraw/zinc/95/04/25/462950425.db2.gz VDIGJQSIXLZJOY-UHFFFAOYSA-N 0 0 334.397 2.246 40 0 EEABRN O=C([O-])C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1 ZINC000015673629 462958427 /nfs/dbraw/zinc/95/84/27/462958427.db2.gz ALDQJWAEJCIFOW-KBPBESRZSA-N 0 0 330.384 2.497 40 0 biogenic,in-vitro EEABRN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c1 ZINC000049649541 462972518 /nfs/dbraw/zinc/97/25/18/462972518.db2.gz XSWOWPFGJSHDPL-UHFFFAOYSA-N 0 0 344.436 2.383 40 0 EEABRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 ZINC000020154092 463026101 /nfs/dbraw/zinc/02/61/01/463026101.db2.gz IYFNHCHURQNARQ-UHFFFAOYSA-N 0 0 327.384 2.366 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021872313 463041577 /nfs/dbraw/zinc/04/15/77/463041577.db2.gz YEQRXNNLAFXCBC-STQMWFEESA-N 0 0 344.502 2.310 40 0 EEABRN Cc1cc(F)cc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000134683977 463070667 /nfs/dbraw/zinc/07/06/67/463070667.db2.gz ZABYLOCZYNZWMY-KBPBESRZSA-N 0 0 331.434 2.029 40 0 EEABRN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000077920756 463071395 /nfs/dbraw/zinc/07/13/95/463071395.db2.gz IOXQQLXCEVHLSD-INIZCTEOSA-N 0 0 346.349 2.346 40 0 EEABRN Cc1[nH]c2ccccc2c1CCNC(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000135072515 463115044 /nfs/dbraw/zinc/11/50/44/463115044.db2.gz FMSGFGZNMNGURV-HIFRSBDPSA-N 0 0 345.443 2.200 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096039070 463143860 /nfs/dbraw/zinc/14/38/60/463143860.db2.gz VHGLRMWPVAHQRJ-WMZOPIPTSA-N 0 0 333.384 2.073 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096039074 463143871 /nfs/dbraw/zinc/14/38/71/463143871.db2.gz LGQUXVRJABOZSP-HKUYNNGSSA-N 0 0 333.428 2.282 40 0 EEABRN c1cncc(CN2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041644 463146047 /nfs/dbraw/zinc/14/60/47/463146047.db2.gz IDYCULZDVFXWRB-IPMKNSEASA-N 0 0 332.444 2.257 40 0 EEABRN CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(F)cc1OC ZINC000096042010 463146654 /nfs/dbraw/zinc/14/66/54/463146654.db2.gz MUJGKCRWFSIZMR-RLFYNMQTSA-N 0 0 337.391 2.172 40 0 EEABRN O=C(C1CCOCC1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096048297 463152123 /nfs/dbraw/zinc/15/21/23/463152123.db2.gz KRILEVZBEQLPKO-PKOBYXMFSA-N 0 0 346.427 2.037 40 0 EEABRN COc1ccc(CN2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096060714 463159949 /nfs/dbraw/zinc/15/99/49/463159949.db2.gz DRKWDWKEEDTEPN-MRXNPFEDSA-N 0 0 342.443 2.350 40 0 EEABRN CCn1cc2c(n1)CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096068685 463166305 /nfs/dbraw/zinc/16/63/05/463166305.db2.gz IIPUGAUWWAJUNE-CQSZACIVSA-N 0 0 329.400 2.378 40 0 EEABRN Cn1ccnc1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 ZINC000096112202 463179964 /nfs/dbraw/zinc/17/99/64/463179964.db2.gz APLQYTMXDPBPMH-CJNGLKHVSA-N 0 0 343.406 2.046 40 0 biogenic,in-vitro EEABRN O=C(NCCn1cnc(C2CCCC2)cc1=O)NCc1cccs1 ZINC000096119178 463181489 /nfs/dbraw/zinc/18/14/89/463181489.db2.gz QZWUTQNEQWPYIM-UHFFFAOYSA-N 0 0 346.456 2.462 40 0 EEABRN O=C(NC/C=C/c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000079032476 463181795 /nfs/dbraw/zinc/18/17/95/463181795.db2.gz PYLXNDROBBFMCE-LVDDQXARSA-N 0 0 326.318 2.227 40 0 EEABRN COCCNC(=O)c1ccccc1NC(=O)COc1ccccc1F ZINC000027409115 463191197 /nfs/dbraw/zinc/19/11/97/463191197.db2.gz AJRWLQBVHBBPHS-UHFFFAOYSA-N 0 0 346.358 2.219 40 0 EEABRN COC(=O)CN1c2ccc(NC(=O)C3CCC3)cc2C(C)(C)C1=O ZINC000096182200 463194876 /nfs/dbraw/zinc/19/48/76/463194876.db2.gz OSXLULDUIGVLAN-UHFFFAOYSA-N 0 0 330.384 2.222 40 0 EEABRN O=C(CC1CC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096188010 463199885 /nfs/dbraw/zinc/19/98/85/463199885.db2.gz SUZGUWSZGGFGQH-HNNXBMFYSA-N 0 0 326.400 2.116 40 0 EEABRN Cc1cccc(C[N@H+]2CCc3cc(C(=O)[O-])c(N(C)C)nc3CC2)n1 ZINC000096189569 463201864 /nfs/dbraw/zinc/20/18/64/463201864.db2.gz JQZJTAOHDNBQJI-UHFFFAOYSA-N 0 0 340.427 2.150 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096198070 463202634 /nfs/dbraw/zinc/20/26/34/463202634.db2.gz QYZALIVLOKVEOL-OAHLLOKOSA-N 0 0 349.456 2.146 40 0 EEABRN O=C(c1ccccc1)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC000096199475 463204177 /nfs/dbraw/zinc/20/41/77/463204177.db2.gz ITDGIVYAVWZLJY-QGZVFWFLSA-N 0 0 335.407 2.360 40 0 EEABRN Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)Cc4cccs4)CC[C@H]32)o1 ZINC000096209774 463213321 /nfs/dbraw/zinc/21/33/21/463213321.db2.gz PPIOCNBOKYZJOH-YUELXQCFSA-N 0 0 347.440 2.088 40 0 EEABRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096226981 463222426 /nfs/dbraw/zinc/22/24/26/463222426.db2.gz BUIBMUGNELLGGA-FXAWDEMLSA-N 0 0 335.407 2.250 40 0 EEABRN Cc1nc(COCc2n[nH]c3c2CN(C(=O)NC2CC2)C3)cs1 ZINC000096260240 463229993 /nfs/dbraw/zinc/22/99/93/463229993.db2.gz JMSPLYNKVZPAHF-UHFFFAOYSA-N 0 0 333.417 2.079 40 0 EEABRN Cc1noc(C)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC000096258984 463230554 /nfs/dbraw/zinc/23/05/54/463230554.db2.gz WPZJWHMUPRFOSP-UHFFFAOYSA-N 0 0 331.420 2.215 40 0 EEABRN CN1C[C@H](c2nnc[nH]2)c2cc(C(=O)NCc3ccccc3)ccc21 ZINC000096267730 463231010 /nfs/dbraw/zinc/23/10/10/463231010.db2.gz YPKRETJLCUMLKE-INIZCTEOSA-N 0 0 333.395 2.316 40 0 EEABRN CCC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCC4CCCCC4)C[C@@H]32)N1 ZINC000096261572 463231698 /nfs/dbraw/zinc/23/16/98/463231698.db2.gz NLATVLDCNDMAPP-ZRGWGRIASA-N 0 0 346.475 2.295 40 0 EEABRN C[C@H](NC(=O)N(C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000096406908 463240448 /nfs/dbraw/zinc/24/04/48/463240448.db2.gz KEDBRWYUCIQCCZ-LBPRGKRZSA-N 0 0 326.360 2.158 40 0 EEABRN CCn1cc(NC(=O)C2CCN(C(=O)Cc3cccs3)CC2)cn1 ZINC000096411655 463243452 /nfs/dbraw/zinc/24/34/52/463243452.db2.gz WNFDULJJKDKBQT-UHFFFAOYSA-N 0 0 346.456 2.384 40 0 EEABRN Cc1ccc(OC[C@@H](C)NC(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000096413304 463245710 /nfs/dbraw/zinc/24/57/10/463245710.db2.gz WNXOHFSGDRXFKS-DGCLKSJQSA-N 0 0 334.338 2.375 40 0 EEABRN O=C(CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415727 463247904 /nfs/dbraw/zinc/24/79/04/463247904.db2.gz BXQDEDKVOOXXME-WBVHZDCISA-N 0 0 348.418 2.016 40 0 EEABRN O=C(CNC(=O)NCc1ccco1)NC1(c2cccc(F)c2)CC1 ZINC000096417162 463248970 /nfs/dbraw/zinc/24/89/70/463248970.db2.gz LFXBOJYIWZIIGF-UHFFFAOYSA-N 0 0 331.347 2.023 40 0 EEABRN CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1 ZINC000158739729 463250069 /nfs/dbraw/zinc/25/00/69/463250069.db2.gz XJYMABWZLABFBB-NSHDSACASA-N 0 0 329.404 2.454 40 0 EEABRN CCn1nc(C)c(CNC(=O)NC[C@](C)(O)c2ccsc2)c1C ZINC000096419918 463251980 /nfs/dbraw/zinc/25/19/80/463251980.db2.gz BHZPEAHGSNEUQJ-INIZCTEOSA-N 0 0 336.461 2.288 40 0 EEABRN C[C@H](CC(=O)c1cccc(F)c1)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000096426324 463256190 /nfs/dbraw/zinc/25/61/90/463256190.db2.gz PQULPCSCGPZLJW-DOMZBBRYSA-N 0 0 334.391 2.291 40 0 EEABRN C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1cccc2ccccc21 ZINC000096426150 463256228 /nfs/dbraw/zinc/25/62/28/463256228.db2.gz XMHIRILSQVIVET-GFCCVEGCSA-N 0 0 334.441 2.345 40 0 EEABRN COCCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1C ZINC000096427759 463257314 /nfs/dbraw/zinc/25/73/14/463257314.db2.gz OFWZYSORKFLYDS-UHFFFAOYSA-N 0 0 338.404 2.366 40 0 EEABRN C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1cccc(-n2ccnc2)c1 ZINC000096432095 463261041 /nfs/dbraw/zinc/26/10/41/463261041.db2.gz YONALOFQUAJLIP-PBHICJAKSA-N 0 0 329.400 2.245 40 0 EEABRN CCc1cc(CNC(=O)Nc2cccc(-c3nnnn3CC)c2)on1 ZINC000096435082 463263838 /nfs/dbraw/zinc/26/38/38/463263838.db2.gz XWARMUOODIHSCO-UHFFFAOYSA-N 0 0 341.375 2.232 40 0 EEABRN C[C@H](Nc1ccc2c(c1)oc(=O)n2C)c1nnnn1-c1ccccc1 ZINC000096437047 463264881 /nfs/dbraw/zinc/26/48/81/463264881.db2.gz OKATXMRCHOAPPT-NSHDSACASA-N 0 0 336.355 2.280 40 0 EEABRN Cc1cc(C)n(C[C@@H](C)NC(=O)NC[C@](C)(O)c2cc(C)oc2C)n1 ZINC000096439310 463265773 /nfs/dbraw/zinc/26/57/73/463265773.db2.gz DSVOOCCGDUQGOQ-XIKOKIGWSA-N 0 0 348.447 2.305 40 0 EEABRN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000096444726 463269478 /nfs/dbraw/zinc/26/94/78/463269478.db2.gz XIUMHXGJDJOWEC-INIZCTEOSA-N 0 0 328.478 2.007 40 0 EEABRN O=C(CCc1ccccc1)N1CCCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000096459288 463276790 /nfs/dbraw/zinc/27/67/90/463276790.db2.gz USXTYQDDQCJTSX-GOSISDBHSA-N 0 0 344.455 2.249 40 0 EEABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCN(C)c1ccccc1 ZINC000096461568 463276812 /nfs/dbraw/zinc/27/68/12/463276812.db2.gz CNANSTZWLKCPSI-OAHLLOKOSA-N 0 0 342.447 2.111 40 0 EEABRN COc1cccc(C[C@H](NC(=O)N2CCC[C@H](CO)C2)C2CC2)c1 ZINC000096485173 463284322 /nfs/dbraw/zinc/28/43/22/463284322.db2.gz SFHWCNJCBABXJZ-YJBOKZPZSA-N 0 0 332.444 2.430 40 0 EEABRN C[C@@H](c1ccsc1)N1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000096503107 463292565 /nfs/dbraw/zinc/29/25/65/463292565.db2.gz KDAKVUXMYPJRCJ-HNNXBMFYSA-N 0 0 347.488 2.423 40 0 EEABRN C[C@@H](O)C[C@H]1COCCN1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000097095078 463321550 /nfs/dbraw/zinc/32/15/50/463321550.db2.gz HIHVRZFOUPSOHE-WBVHZDCISA-N 0 0 334.460 2.437 40 0 EEABRN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCCc1nc2ccccc2s1 ZINC000097104474 463324937 /nfs/dbraw/zinc/32/49/37/463324937.db2.gz VXWPNCCIUJELEO-FZMZJTMJSA-N 0 0 340.470 2.326 40 0 EEABRN Nc1nccnc1C(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000071195730 463411457 /nfs/dbraw/zinc/41/14/57/463411457.db2.gz VXIRYZMEIXHFAQ-OAHLLOKOSA-N 0 0 346.394 2.323 40 0 EEABRN O=C(Nc1nc2c(s1)CCCC2)c1cnc2ccccn2c1=O ZINC000040039701 463453269 /nfs/dbraw/zinc/45/32/69/463453269.db2.gz GGKXWNICPUDMPO-UHFFFAOYSA-N 0 0 326.381 2.282 40 0 EEABRN Cc1nc2ncnc(N3CCN(Cc4cccc(F)c4)CC3)c2[nH]1 ZINC000041121235 463468219 /nfs/dbraw/zinc/46/82/19/463468219.db2.gz UIXIOXUCYDIUDL-UHFFFAOYSA-N 0 0 326.379 2.123 40 0 EEABRN CCCc1noc([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)n1 ZINC000041123146 463468264 /nfs/dbraw/zinc/46/82/64/463468264.db2.gz LCBLVYQVMNERPW-AWEZNQCLSA-N 0 0 331.420 2.242 40 0 EEABRN CC[C@H](c1ccccc1)n1cc2[nH]c(N3CCOCC3)ncc-2c1=O ZINC000041122925 463468686 /nfs/dbraw/zinc/46/86/86/463468686.db2.gz LXFAYXNDKNURJO-QGZVFWFLSA-N 0 0 338.411 2.420 40 0 EEABRN Cn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000057316466 463477731 /nfs/dbraw/zinc/47/77/31/463477731.db2.gz OJTUMRSKXOIESF-UHFFFAOYSA-N 0 0 338.396 2.004 40 0 EEABRN COc1ccc([C@@H]2[C@@H](N)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000072228196 463483910 /nfs/dbraw/zinc/48/39/10/463483910.db2.gz BRDHYEAURDXBIC-IAGOWNOFSA-N 0 0 330.359 2.254 40 0 EEABRN Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000072241410 463486442 /nfs/dbraw/zinc/48/64/42/463486442.db2.gz VVPNSEKATAYYIN-CABCVRRESA-N 0 0 349.774 2.173 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1F ZINC000072241643 463486715 /nfs/dbraw/zinc/48/67/15/463486715.db2.gz QWOALNAZKAEQEY-IRXDYDNUSA-N 0 0 334.391 2.127 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@H]1c1cccc(F)c1 ZINC000072241784 463487036 /nfs/dbraw/zinc/48/70/36/463487036.db2.gz YDZGNWKKDHUACJ-IAGOWNOFSA-N 0 0 334.391 2.127 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241332 463487054 /nfs/dbraw/zinc/48/70/54/463487054.db2.gz GZTJFKZKPUGAMO-HZPDHXFCSA-N 0 0 336.819 2.297 40 0 EEABRN CCN1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000058158050 463543735 /nfs/dbraw/zinc/54/37/35/463543735.db2.gz SODJPTMVVRVJQD-UHFFFAOYSA-N 0 0 326.444 2.326 40 0 EEABRN CCNC(=O)NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000058158126 463544928 /nfs/dbraw/zinc/54/49/28/463544928.db2.gz JOVLUZYUOUEHLX-UHFFFAOYSA-N 0 0 347.365 2.490 40 0 EEABRN Nc1nccnc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084369027 463597290 /nfs/dbraw/zinc/59/72/90/463597290.db2.gz RNZGKCZNOAAYGM-AWEZNQCLSA-N 0 0 338.367 2.028 40 0 EEABRN Cc1ccc(CN2CC[C@@H]3OCCN(C(=O)c4ccncc4)[C@H]3C2)o1 ZINC000108529394 463610386 /nfs/dbraw/zinc/61/03/86/463610386.db2.gz CAJHFSGAANQKSH-ROUUACIJSA-N 0 0 341.411 2.099 40 0 EEABRN O=C(NCCOc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000059417462 463642656 /nfs/dbraw/zinc/64/26/56/463642656.db2.gz DJXVAEOZUKSLOF-CQSZACIVSA-N 0 0 342.370 2.374 40 0 EEABRN CNS(=O)(=O)c1cc(NC(=O)N[C@H](C)c2cccnc2)ccc1C ZINC000043691762 463652727 /nfs/dbraw/zinc/65/27/27/463652727.db2.gz OYPYHPSMZYDXBY-GFCCVEGCSA-N 0 0 348.428 2.181 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)on1 ZINC000257282858 463761901 /nfs/dbraw/zinc/76/19/01/463761901.db2.gz OVOZAHDRRNJGJL-RDJZCZTQSA-N 0 0 334.347 2.167 40 0 EEABRN Cc1cc(C)nc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257289325 463764449 /nfs/dbraw/zinc/76/44/49/463764449.db2.gz PYDJSPNTRHFBEI-QGZVFWFLSA-N 0 0 341.411 2.462 40 0 EEABRN O=C(CCc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257309037 463771675 /nfs/dbraw/zinc/77/16/75/463771675.db2.gz TZHARXPBQVKERG-SFHVURJKSA-N 0 0 343.402 2.409 40 0 EEABRN CCn1cnnc1[C@@H]1CCCN(C(=O)c2nc3cccnc3s2)C1 ZINC000194011413 463771887 /nfs/dbraw/zinc/77/18/87/463771887.db2.gz ZAFMWRUCGFAKAT-LLVKDONJSA-N 0 0 342.428 2.323 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 ZINC000257330792 463780597 /nfs/dbraw/zinc/78/05/97/463780597.db2.gz XQAPYCDFJKNYNL-MRXNPFEDSA-N 0 0 349.394 2.280 40 0 EEABRN Cc1nc(CC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cs1 ZINC000257330892 463781114 /nfs/dbraw/zinc/78/11/14/463781114.db2.gz XQLKRURNMBPQFE-OAHLLOKOSA-N 0 0 346.456 2.055 40 0 EEABRN COCC(=O)N1CCC2(C[C@H](Cc3cccc(OC)c3)CO2)CC1 ZINC000257335850 463783172 /nfs/dbraw/zinc/78/31/72/463783172.db2.gz YMDMHCSWHGSRIQ-INIZCTEOSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341295 463785908 /nfs/dbraw/zinc/78/59/08/463785908.db2.gz ZJTIGTJWOYCEKG-GOSISDBHSA-N 0 0 338.415 2.087 40 0 EEABRN CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@H](C)[S@]1=O ZINC000287360669 463879506 /nfs/dbraw/zinc/87/95/06/463879506.db2.gz NSYCJTBOOFEYGD-IWIWMGDJSA-N 0 0 333.409 2.165 40 0 EEABRN Cc1cccc2ncnc(N3CCCC[C@@H]3CCNS(C)(=O)=O)c12 ZINC000195538546 464073153 /nfs/dbraw/zinc/07/31/53/464073153.db2.gz KEVPZRSTXJVWPY-CQSZACIVSA-N 0 0 348.472 2.236 40 0 EEABRN CS(=O)(=O)[C@H](Cc1ccccc1)c1nc(-c2ccccn2)no1 ZINC000195576329 464080058 /nfs/dbraw/zinc/08/00/58/464080058.db2.gz KZAMCOWQSWDOJO-CQSZACIVSA-N 0 0 329.381 2.460 40 0 EEABRN Cc1ccc(C(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)s1 ZINC000198171997 464085089 /nfs/dbraw/zinc/08/50/89/464085089.db2.gz FKTDCGYTZLENGU-SNVBAGLBSA-N 0 0 339.442 2.095 40 0 EEABRN CCSc1cccc(NC(=O)c2ccnc3c(C(N)=O)cnn32)c1 ZINC000179328351 464107193 /nfs/dbraw/zinc/10/71/93/464107193.db2.gz MCCHHVFCMSFVCQ-UHFFFAOYSA-N 0 0 341.396 2.193 40 0 EEABRN CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C)c(C)c2)CC1 ZINC000222612586 464132156 /nfs/dbraw/zinc/13/21/56/464132156.db2.gz YMJIAKKQZQZCLU-UHFFFAOYSA-N 0 0 338.473 2.328 40 0 EEABRN CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000223017150 464135954 /nfs/dbraw/zinc/13/59/54/464135954.db2.gz RABRXYULSUVKTA-UHFFFAOYSA-N 0 0 348.424 2.270 40 0 EEABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CC ZINC000223260867 464139757 /nfs/dbraw/zinc/13/97/57/464139757.db2.gz VVIIALPMIRLERS-SWLSCSKDSA-N 0 0 342.461 2.155 40 0 EEABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C)c1 ZINC000223299265 464140776 /nfs/dbraw/zinc/14/07/76/464140776.db2.gz NARGOAWRBNSTMK-UHFFFAOYSA-N 0 0 348.424 2.277 40 0 EEABRN O=S(=O)(Cc1ccccc1F)NCc1nc(-c2ccccc2)no1 ZINC000223650240 464144916 /nfs/dbraw/zinc/14/49/16/464144916.db2.gz AIDCKCYLTMXPQL-UHFFFAOYSA-N 0 0 347.371 2.495 40 0 EEABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C ZINC000223612715 464145496 /nfs/dbraw/zinc/14/54/96/464145496.db2.gz JVMDJANXXHDVGE-IAGOWNOFSA-N 0 0 344.484 2.392 40 0 EEABRN CN(Cc1ccccc1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223617906 464145681 /nfs/dbraw/zinc/14/56/81/464145681.db2.gz UFSVJXDMMJADTE-QGZVFWFLSA-N 0 0 346.452 2.278 40 0 EEABRN Cc1cc(C)cc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1 ZINC000224172757 464148813 /nfs/dbraw/zinc/14/88/13/464148813.db2.gz JHBMOTUTZWZTRL-UHFFFAOYSA-N 0 0 341.415 2.252 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c(C)c1 ZINC000224266990 464150149 /nfs/dbraw/zinc/15/01/49/464150149.db2.gz AVVKIXVJTGLNBA-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN CSc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000225223710 464154420 /nfs/dbraw/zinc/15/44/20/464154420.db2.gz SGONYXIPZJCTRE-LBPRGKRZSA-N 0 0 344.502 2.335 40 0 EEABRN COc1cccc(CC(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)c1 ZINC000225425326 464159740 /nfs/dbraw/zinc/15/97/40/464159740.db2.gz XQIOBMKWMMRVPW-INIZCTEOSA-N 0 0 327.384 2.016 40 0 EEABRN COc1cccc(CC(=O)N2CCC[C@H](Oc3cccnn3)C2)c1 ZINC000225454640 464160832 /nfs/dbraw/zinc/16/08/32/464160832.db2.gz QXKXQXPDNYZKFN-INIZCTEOSA-N 0 0 327.384 2.098 40 0 EEABRN Cc1ccc(O[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)nn1 ZINC000225464545 464162517 /nfs/dbraw/zinc/16/25/17/464162517.db2.gz JDZOKSSUNQLUOP-QGZVFWFLSA-N 0 0 341.411 2.372 40 0 EEABRN CCO[C@H](C)c1nc(CN(C)c2nc3c(cnn3C)c(N)n2)cs1 ZINC000225512790 464168109 /nfs/dbraw/zinc/16/81/09/464168109.db2.gz LFWYOGDFNAQNSI-SECBINFHSA-N 0 0 347.448 2.136 40 0 EEABRN Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)N1CCOCC1 ZINC000227151088 464187422 /nfs/dbraw/zinc/18/74/22/464187422.db2.gz DDEDXAZLMCACOV-UHFFFAOYSA-N 0 0 329.400 2.197 40 0 EEABRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1(S(C)(=O)=O)CCC1 ZINC000241262042 464452063 /nfs/dbraw/zinc/45/20/63/464452063.db2.gz LAWOIUGKOFLVAJ-GOEBONIOSA-N 0 0 335.469 2.433 40 0 EEABRN COCc1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000189399117 464494252 /nfs/dbraw/zinc/49/42/52/464494252.db2.gz RYFYTWWNQJWARE-OAHLLOKOSA-N 0 0 332.425 2.432 40 0 EEABRN COC[C@H]1CN(C(=O)c2ccncc2)Cc2c1cnn2CC1CC1 ZINC000247840350 464709487 /nfs/dbraw/zinc/70/94/87/464709487.db2.gz KSTKXSUDDHBWCS-OAHLLOKOSA-N 0 0 326.400 2.074 40 0 EEABRN O=C(Cc1ccccn1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000247865948 464711126 /nfs/dbraw/zinc/71/11/26/464711126.db2.gz OQDMBEXSGMYUEJ-LJQANCHMSA-N 0 0 348.406 2.311 40 0 EEABRN Cc1nc(COC[C@@H]2CCOC23CN(c2ccc(C)nn2)C3)cs1 ZINC000247941023 464715031 /nfs/dbraw/zinc/71/50/31/464715031.db2.gz UWISBTZXYKIORZ-AWEZNQCLSA-N 0 0 346.456 2.362 40 0 EEABRN Cc1csc(CN2CC3(C2)C[C@H](Oc2cnccn2)CCO3)n1 ZINC000247965853 464718292 /nfs/dbraw/zinc/71/82/92/464718292.db2.gz QNVQRBHHJVGRBC-CYBMUJFWSA-N 0 0 332.429 2.054 40 0 EEABRN Cc1ncoc1C(=O)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000248002740 464721643 /nfs/dbraw/zinc/72/16/43/464721643.db2.gz CPXLHKCZMCYRCF-AWEZNQCLSA-N 0 0 345.424 2.295 40 0 EEABRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000177047317 464915417 /nfs/dbraw/zinc/91/54/17/464915417.db2.gz JPPWOEIQQKHYNV-CJNGLKHVSA-N 0 0 348.447 2.356 40 0 EEABRN CC[C@H](C)[C@@H]1NC(=O)N(Cc2ccn(Cc3ccccc3)n2)C1=O ZINC000286439900 464917923 /nfs/dbraw/zinc/91/79/23/464917923.db2.gz TWJHAPVZMFTSHK-BBRMVZONSA-N 0 0 326.400 2.398 40 0 EEABRN O=C1N[C@H](c2c(F)cccc2OC(F)(F)F)N2CCSC[C@H]12 ZINC000252491784 464967143 /nfs/dbraw/zinc/96/71/43/464967143.db2.gz LTFUSOAXGKQDBZ-KCJUWKMLSA-N 0 0 336.310 2.270 40 0 EEABRN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC000252500448 464972466 /nfs/dbraw/zinc/97/24/66/464972466.db2.gz SVWLWDSUXPRJQT-RISCZKNCSA-N 0 0 333.388 2.088 40 0 EEABRN C[C@H](NC(=O)NC[C@H]1CCc2ccccc2C1)c1nnnn1C1CC1 ZINC000252509552 464974899 /nfs/dbraw/zinc/97/48/99/464974899.db2.gz YQIXFUXTMUMXTH-STQMWFEESA-N 0 0 340.431 2.173 40 0 EEABRN CCn1c(Sc2ncnc3c2cnn3C)nnc1-c1cccnc1 ZINC000253398333 465001527 /nfs/dbraw/zinc/00/15/27/465001527.db2.gz SJCKOMNVNGPSMB-UHFFFAOYSA-N 0 0 338.400 2.188 40 0 EEABRN CC(C)c1nnc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000253406085 465003605 /nfs/dbraw/zinc/00/36/05/465003605.db2.gz VPDWOUPQJVFUDJ-UHFFFAOYSA-N 0 0 344.440 2.260 40 0 EEABRN Cc1nc([C@H]2CCCN2Cc2nnnn2CC2CCOCC2)cs1 ZINC000253418466 465006426 /nfs/dbraw/zinc/00/64/26/465006426.db2.gz RJAWBTXZRNJVLV-OAHLLOKOSA-N 0 0 348.476 2.202 40 0 EEABRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccnnc2)sc1C ZINC000253429492 465012726 /nfs/dbraw/zinc/01/27/26/465012726.db2.gz SNJXYBJVSZDIOH-LLVKDONJSA-N 0 0 332.385 2.005 40 0 EEABRN O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccsc2)CC1 ZINC000298936734 465545695 /nfs/dbraw/zinc/54/56/95/465545695.db2.gz INTGDTLSRNJTNF-UHFFFAOYSA-N 0 0 332.400 2.414 40 0 EEABRN CCCN(C(=O)c1scc(C)c1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000330449133 465665482 /nfs/dbraw/zinc/66/54/82/465665482.db2.gz XJCVVUKABGIGRZ-SECBINFHSA-N 0 0 328.821 2.319 40 0 EEABRN c1cc(N[C@H]2CCCOC2)nc(N2CCC(OC3CCCC3)CC2)n1 ZINC000366657329 465858714 /nfs/dbraw/zinc/85/87/14/465858714.db2.gz FVFSKJREDTVYQA-HNNXBMFYSA-N 0 0 346.475 2.996 40 0 EEABRN CC(=O)N1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144253 466493716 /nfs/dbraw/zinc/49/37/16/466493716.db2.gz ZALBXTSAGYPMLR-IRXDYDNUSA-N 0 0 327.359 2.055 40 0 EEABRN CCN1CCC[C@]2(CN(C(=O)c3ccncc3)CC(F)(F)C2)C1=O ZINC000306140286 466493775 /nfs/dbraw/zinc/49/37/75/466493775.db2.gz UOZFGKYRHNQPIA-INIZCTEOSA-N 0 0 337.370 2.192 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1C ZINC000408594765 466681842 /nfs/dbraw/zinc/68/18/42/466681842.db2.gz PCWKJGGPWWNPTE-UHFFFAOYSA-N 0 0 332.425 2.175 40 0 EEABRN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000408728889 466682751 /nfs/dbraw/zinc/68/27/51/466682751.db2.gz WAHHDCJUHSCDOG-ZAZJYDDPSA-N 0 0 334.169 2.282 40 0 EEABRN CCc1nnc2[nH]c(-c3cc4c(cc3Br)OCO4)nn12 ZINC000408973962 466684532 /nfs/dbraw/zinc/68/45/32/466684532.db2.gz RSZMLRHUEFXMTM-UHFFFAOYSA-N 0 0 336.149 2.173 40 0 EEABRN CCN1CC[C@]2(CN(Cc3c(C)noc3C)CC(F)(F)C2)C1=O ZINC000585093127 468963288 /nfs/dbraw/zinc/96/32/88/468963288.db2.gz DEFJKTLUHFQHIY-HNNXBMFYSA-N 0 0 327.375 2.371 40 0 EEABRN Cc1noc(C)c1C(=O)N1Cc2cncn2CC[C@H]1COCC1CC1 ZINC000585096968 468964423 /nfs/dbraw/zinc/96/44/23/468964423.db2.gz GDNQPMQCBOCXPR-HNNXBMFYSA-N 0 0 344.415 2.329 40 0 EEABRN O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O ZINC000585097586 468965701 /nfs/dbraw/zinc/96/57/01/468965701.db2.gz NAROGBUPTLYHMZ-INIZCTEOSA-N 0 0 342.443 2.107 40 0 EEABRN COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000585101757 468969071 /nfs/dbraw/zinc/96/90/71/468969071.db2.gz DVQHMVCIIFBNLR-QGZVFWFLSA-N 0 0 338.835 2.373 40 0 EEABRN O=C(NC1CCC1)C1=NOC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000585101254 468969396 /nfs/dbraw/zinc/96/93/96/468969396.db2.gz RKSYIQAHFCGGSA-UHFFFAOYSA-N 0 0 347.440 2.168 40 0 EEABRN CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(Cl)cc1)C2 ZINC000585104309 468972579 /nfs/dbraw/zinc/97/25/79/468972579.db2.gz YLRVTNQWYGUFAB-AWEZNQCLSA-N 0 0 343.876 2.366 40 0 EEABRN Cn1cnnc1CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000585142080 468991653 /nfs/dbraw/zinc/99/16/53/468991653.db2.gz OIDFSCLISNGSTC-UHFFFAOYSA-N 0 0 336.461 2.024 40 0 EEABRN N=[S@](=O)(c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000585142265 468992006 /nfs/dbraw/zinc/99/20/06/468992006.db2.gz RYLOXOGBWGSNRB-AUADJRAKSA-N 0 0 335.351 2.314 40 0 EEABRN O=C(CN1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1)NC1CCCC1 ZINC000585275401 468999677 /nfs/dbraw/zinc/99/96/77/468999677.db2.gz AKGQOANQKHFLAH-QAPCUYQASA-N 0 0 334.435 2.110 40 0 EEABRN O=C(CCCc1cn[nH]c1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278489 469003478 /nfs/dbraw/zinc/00/34/78/469003478.db2.gz FPTXVXVQSKQZLW-MSOLQXFVSA-N 0 0 327.428 2.185 40 0 EEABRN Cc1ccc(C[C@@H]2CN(C(=O)CCc3ccno3)CC[C@@H]2O)cc1 ZINC000585278481 469003813 /nfs/dbraw/zinc/00/38/13/469003813.db2.gz SVYNOTOVYYQFAW-AEFFLSMTSA-N 0 0 328.412 2.368 40 0 EEABRN CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000585279276 469004943 /nfs/dbraw/zinc/00/49/43/469004943.db2.gz VUEWFERFWMOCLC-MRXNPFEDSA-N 0 0 342.798 2.366 40 0 EEABRN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ncccc1F ZINC000585292400 469012334 /nfs/dbraw/zinc/01/23/34/469012334.db2.gz IVAITBGOZNBUPW-KBRIMQKVSA-N 0 0 336.794 2.195 40 0 EEABRN CCc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)nc(C)n1 ZINC000607858836 469717702 /nfs/dbraw/zinc/71/77/02/469717702.db2.gz TVYDEMQLBXLUJS-CYBMUJFWSA-N 0 0 330.432 2.467 40 0 EEABRN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)[C@@H]1COc2ccccc2O1 ZINC000390827160 485667939 /nfs/dbraw/zinc/66/79/39/485667939.db2.gz FHEHGYKZOALOLH-PBHICJAKSA-N 0 0 343.383 2.231 40 0 EEABRN COC(=O)[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccsc1 ZINC000187755019 534275726 /nfs/dbraw/zinc/27/57/26/534275726.db2.gz OIFUTUZFIWWBGI-HNNXBMFYSA-N 0 0 344.392 2.277 40 0 EEABRN COC(=O)c1nn(CCC(F)(F)F)cc1I ZINC000408715798 534367677 /nfs/dbraw/zinc/36/76/77/534367677.db2.gz DVHKTHZCGHPWAD-UHFFFAOYSA-N 0 0 348.062 2.227 40 0 EEABRN Cc1cnc([C@@H](C)NC(=O)c2cc(N3CCOCC3)ccn2)s1 ZINC000131551428 534616320 /nfs/dbraw/zinc/61/63/20/534616320.db2.gz CNXOAJYDHBUWEO-GFCCVEGCSA-N 0 0 332.429 2.174 40 0 EEABRN O=C(NCc1cccnc1-n1cncn1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000095404498 534687022 /nfs/dbraw/zinc/68/70/22/534687022.db2.gz UBHLJIVXNXWCHZ-JKSUJKDBSA-N 0 0 340.431 2.430 40 0 EEABRN Cc1ccsc1-c1nnc(NC(=O)CN2C[C@@H](C)OC[C@H]2C)o1 ZINC000252485876 525811406 /nfs/dbraw/zinc/81/14/06/525811406.db2.gz BHPBHTBNLDFZQQ-GHMZBOCLSA-N 0 0 336.417 2.154 40 0 EEABRN Fc1cnc(N2CC3(C2)C[C@H](OCC2CCOCC2)CS3)nc1 ZINC000247503546 526420918 /nfs/dbraw/zinc/42/09/18/526420918.db2.gz GFWPNOKNGOSUED-AWEZNQCLSA-N 0 0 339.436 2.123 40 0 EEABRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000132822543 527839915 /nfs/dbraw/zinc/83/99/15/527839915.db2.gz RXHSTQZXGDKPGZ-SNVBAGLBSA-N 0 0 336.363 2.123 40 0 EEABRN CCCN1CCN(S(=O)(=O)Cc2ccon2)c2cc(F)ccc21 ZINC000195578907 534929684 /nfs/dbraw/zinc/92/96/84/534929684.db2.gz YQMWFPRJZOJYFL-UHFFFAOYSA-N 0 0 339.392 2.380 40 0 EEABRN CCNC(=O)c1ccc(N2CC[C@H](OCc3ccncc3)C2)nc1 ZINC000192907035 535424451 /nfs/dbraw/zinc/42/44/51/535424451.db2.gz SRAIYVSZDGFPCG-INIZCTEOSA-N 0 0 326.400 2.022 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@H](OCc2cccnc2)CCO3)cn1 ZINC000249680109 536050665 /nfs/dbraw/zinc/05/06/65/536050665.db2.gz AHEKEBFSRQYGLT-GOSISDBHSA-N 0 0 342.443 2.248 40 0 EEABRN CN1C(=O)CC[C@@H]2N(C(=O)CCCn3cccn3)CCCC[C@@]21C ZINC000257338159 536308775 /nfs/dbraw/zinc/30/87/75/536308775.db2.gz YWEVTTHGKHPIBK-YJBOKZPZSA-N 0 0 332.448 2.055 40 0 EEABRN COc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1F ZINC000257207622 536729662 /nfs/dbraw/zinc/72/96/62/536729662.db2.gz BINCAODHOCNQSY-OAHLLOKOSA-N 0 0 345.374 2.098 40 0 EEABRN Cc1nnc([C@@H]2OCC[C@@H]2CNc2nc3ccccc3n3cncc23)[nH]1 ZINC000895302915 684474768 /nfs/dbraw/zinc/47/47/68/684474768.db2.gz QFLNNIQLKCCBRU-MLGOLLRUSA-N 0 0 349.398 2.499 40 0 EEABRN O=C(NCc1csc(=O)[nH]1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC000896688454 685173454 /nfs/dbraw/zinc/17/34/54/685173454.db2.gz MBIYMTFKLOKWJY-UHFFFAOYSA-N 0 0 344.396 2.244 40 0 EEABRN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2cc3n(n2)CCCC3)cn1 ZINC000931399905 1410288400 /nfs/dbraw/zinc/28/84/00/1410288400.db2.gz TVACJEKVCBQLAV-LSDHHAIUSA-N 0 0 344.419 2.075 40 0 EEABRN O=S1(=O)C[C@H](O)[C@H](Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000001252271 1110645740 /nfs/dbraw/zinc/64/57/40/1110645740.db2.gz JJOFITCCYBUALK-ZJUUUORDSA-N 0 0 330.620 2.217 40 0 EEABRN CCN1OC2(CC1=O)CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC001549162474 1121134249 /nfs/dbraw/zinc/13/42/49/1121134249.db2.gz QKWMMSJNKRMCEE-UHFFFAOYSA-N 0 0 335.379 2.054 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000055413538 214321915 /nfs/dbraw/zinc/32/19/15/214321915.db2.gz HRIURQXEESIIEU-UHFFFAOYSA-N 0 0 337.372 2.433 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000055547723 214328290 /nfs/dbraw/zinc/32/82/90/214328290.db2.gz ARSDCVDKXAQFSX-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN CN(Cc1nc(Cc2ccccc2)no1)Cc1cccc(C(N)=O)c1 ZINC000056514462 214378334 /nfs/dbraw/zinc/37/83/34/214378334.db2.gz GYCLOEWCSHILKW-UHFFFAOYSA-N 0 0 336.395 2.391 40 0 EEABRN COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2ccco2)cc1OC ZINC000004400019 210187519 /nfs/dbraw/zinc/18/75/19/210187519.db2.gz HRHHKIVWGZXQCC-GFCCVEGCSA-N 0 0 347.367 2.201 40 0 EEABRN CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101273934 219120767 /nfs/dbraw/zinc/12/07/67/219120767.db2.gz PZIXREQIQIGCQB-LLVKDONJSA-N 0 0 327.789 2.268 40 0 EEABRN Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCCC2)cc1 ZINC000004190461 210142083 /nfs/dbraw/zinc/14/20/83/210142083.db2.gz TWSYWSNEZGWCDO-SJORKVTESA-N 0 0 327.432 2.346 40 0 EEABRN CCCNC(=O)CCc1nc(-c2ccc(C)n(CCC)c2=O)no1 ZINC000046020481 213773928 /nfs/dbraw/zinc/77/39/28/213773928.db2.gz QHQJPPNKMDRQRS-UHFFFAOYSA-N 0 0 332.404 2.076 40 0 EEABRN CC(=O)N1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 ZINC000044866243 213652569 /nfs/dbraw/zinc/65/25/69/213652569.db2.gz JEHLDMZHFNLIBN-UHFFFAOYSA-N 0 0 325.412 2.085 40 0 EEABRN CCOC(=O)[C@H](CNc1cccc(C)n1)S(=O)(=O)c1ccccc1 ZINC000067172636 215120482 /nfs/dbraw/zinc/12/04/82/215120482.db2.gz VEJFXASGHZFZRL-HNNXBMFYSA-N 0 0 348.424 2.208 40 0 EEABRN O=C(NCCc1ccccn1)C(=O)Nc1cccc(Br)c1 ZINC000042645755 213521195 /nfs/dbraw/zinc/52/11/95/213521195.db2.gz JYKXXODHUVDRDS-UHFFFAOYSA-N 0 0 348.200 2.142 40 0 EEABRN C[C@]1(C(=O)NCCc2ccccc2F)Oc2ccccc2NC1=O ZINC000040776427 213384359 /nfs/dbraw/zinc/38/43/59/213384359.db2.gz FRPAACGOCGOXMK-GOSISDBHSA-N 0 0 328.343 2.274 40 0 EEABRN O=C(CNc1ccc2c(c1)OCCO2)NCCOc1ccccc1 ZINC000040466000 213308787 /nfs/dbraw/zinc/30/87/87/213308787.db2.gz XDGLZRHKUMQHQK-UHFFFAOYSA-N 0 0 328.368 2.065 40 0 EEABRN O=C(NCCc1cccc(Cl)c1)N1CCC[C@H](OCCO)C1 ZINC000187172168 236136435 /nfs/dbraw/zinc/13/64/35/236136435.db2.gz CZVNPIGAESCSIA-HNNXBMFYSA-N 0 0 326.824 2.065 40 0 EEABRN Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000007602621 236895046 /nfs/dbraw/zinc/89/50/46/236895046.db2.gz ZABRYFDFOSKUBX-UHFFFAOYSA-N 0 0 330.779 2.231 40 0 EEABRN O=C(NCCCn1cnc2ccccc21)[C@@H]1COc2ccccc2O1 ZINC000072242628 216082358 /nfs/dbraw/zinc/08/23/58/216082358.db2.gz ICRPDGBMXHXTJH-SFHVURJKSA-N 0 0 337.379 2.383 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nccnc2-n2ccnc2C(C)C)C1 ZINC000072350617 216163024 /nfs/dbraw/zinc/16/30/24/216163024.db2.gz ZZZBCXSPBAIOKJ-CQSZACIVSA-N 0 0 343.431 2.138 40 0 EEABRN Cc1ccc(Oc2nccnc2[C@H]2CCCN(CC(N)=O)C2)cc1 ZINC000072361851 216168637 /nfs/dbraw/zinc/16/86/37/216168637.db2.gz ADHSAIYSUYFZFQ-AWEZNQCLSA-N 0 0 326.400 2.242 40 0 EEABRN O=C(CO)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 ZINC000072378214 216179679 /nfs/dbraw/zinc/17/96/79/216179679.db2.gz CQVIDEKMNMXQAT-MRXNPFEDSA-N 0 0 340.427 2.384 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000072382713 216182481 /nfs/dbraw/zinc/18/24/81/216182481.db2.gz IHBCCRFAIQTSNS-AWEZNQCLSA-N 0 0 342.403 2.019 40 0 EEABRN Cc1nc(Nc2nccs2)cc(C2CN(c3ncccn3)C2)n1 ZINC000072382756 216183065 /nfs/dbraw/zinc/18/30/65/216183065.db2.gz CHHHECHQSQNTGV-UHFFFAOYSA-N 0 0 325.401 2.379 40 0 EEABRN COc1cccc(NC(=O)C2CN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000072392104 216191087 /nfs/dbraw/zinc/19/10/87/216191087.db2.gz LPHDRIDQFFBOHU-UHFFFAOYSA-N 0 0 345.424 2.479 40 0 EEABRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000195573845 241019066 /nfs/dbraw/zinc/01/90/66/241019066.db2.gz QYKFUCXKJNQZKX-KGLIPLIRSA-N 0 0 349.397 2.224 40 0 EEABRN O=C1C(Br)=C(Br)CN1Cc1ccncc1 ZINC000217580776 241261644 /nfs/dbraw/zinc/26/16/44/241261644.db2.gz HFQHSLMPCWOVFE-UHFFFAOYSA-N 0 0 331.995 2.425 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000222778816 241557505 /nfs/dbraw/zinc/55/75/05/241557505.db2.gz YWSBVHCVTOBKSG-OAHLLOKOSA-N 0 0 340.423 2.401 40 0 EEABRN Cc1cc(C)n(CCNC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1 ZINC000225717794 242001507 /nfs/dbraw/zinc/00/15/07/242001507.db2.gz PXRLHWWYVLWQMJ-HNNXBMFYSA-N 0 0 346.456 2.209 40 0 EEABRN Cc1cccc(CNC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000225975070 242083032 /nfs/dbraw/zinc/08/30/32/242083032.db2.gz QQGLZIRTGZIHNS-UHFFFAOYSA-N 0 0 346.452 2.250 40 0 EEABRN CCOC(=O)c1cc(-c2cccc(Br)c2)nn(C)c1=O ZINC000225965166 242081188 /nfs/dbraw/zinc/08/11/88/242081188.db2.gz ZTNULQJBJVGXFZ-UHFFFAOYSA-N 0 0 337.173 2.387 40 0 EEABRN O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccccn1 ZINC000225733072 242010344 /nfs/dbraw/zinc/01/03/44/242010344.db2.gz XQCNQJXCDFGYQQ-UHFFFAOYSA-N 0 0 327.771 2.366 40 0 EEABRN CON(C)C(=O)CCOc1nn(C)c2ccc(Br)cc12 ZINC000226865472 242116597 /nfs/dbraw/zinc/11/65/97/242116597.db2.gz GTQZYCKFNNLUJK-UHFFFAOYSA-N 0 0 342.193 2.125 40 0 EEABRN Cc1cn(-c2ccccc2)nc1OCC(=O)Nc1nnc(C)s1 ZINC000226852066 242117813 /nfs/dbraw/zinc/11/78/13/242117813.db2.gz OWEJQLYAWYWXHG-UHFFFAOYSA-N 0 0 329.385 2.358 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC1CCC(O)CC1 ZINC000226851400 242118006 /nfs/dbraw/zinc/11/80/06/242118006.db2.gz AUJLKRIMXJKMIZ-UQPPLGOBSA-N 0 0 343.427 2.368 40 0 EEABRN Cc1cnc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)s1 ZINC000227169811 242127042 /nfs/dbraw/zinc/12/70/42/242127042.db2.gz LJXDZORNEFAZPI-UHFFFAOYSA-N 0 0 347.375 2.400 40 0 EEABRN O=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@H]1CCCCNC1=O ZINC000242106332 243010431 /nfs/dbraw/zinc/01/04/31/243010431.db2.gz WITPOHLZMUMUGF-HNNXBMFYSA-N 0 0 333.407 2.116 40 0 EEABRN OC1(c2ccccc2Cl)CCN(Cc2ncnn2CCF)CC1 ZINC000253430389 243980665 /nfs/dbraw/zinc/98/06/65/243980665.db2.gz WFLPOCVKKZMXTI-UHFFFAOYSA-N 0 0 338.814 2.385 40 0 EEABRN Cn1cc(-c2cc(CN3CCN4CCOc5cccc3c54)on2)cn1 ZINC000253419845 243953565 /nfs/dbraw/zinc/95/35/65/243953565.db2.gz DCCSSOQVGUDGNT-UHFFFAOYSA-N 0 0 337.383 2.294 40 0 EEABRN CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(C)C1 ZINC000020464254 212135084 /nfs/dbraw/zinc/13/50/84/212135084.db2.gz GFHQEENQNXTTLY-GJZGRUSLSA-N 0 0 343.431 2.113 40 0 biogenic,in-vitro EEABRN CCS(=O)(=O)N1c2ccc(C(=O)NCc3ccco3)cc2C[C@H]1C ZINC000020448916 212130255 /nfs/dbraw/zinc/13/02/55/212130255.db2.gz JBZLPWGDIYHUSC-GFCCVEGCSA-N 0 0 348.424 2.310 40 0 EEABRN Cc1ccc(CN2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)o1 ZINC000253601674 244035333 /nfs/dbraw/zinc/03/53/33/244035333.db2.gz VSPHGRJDNVVBHT-HNNXBMFYSA-N 0 0 329.400 2.499 40 0 EEABRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc[nH]c(=O)c1 ZINC000253630347 244042797 /nfs/dbraw/zinc/04/27/97/244042797.db2.gz CZAXXUQSHBATRM-APWZRJJASA-N 0 0 344.386 2.430 40 0 EEABRN O=C(COc1cccc(F)c1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257199598 244114351 /nfs/dbraw/zinc/11/43/51/244114351.db2.gz AABGUUFSRQMVPO-OAHLLOKOSA-N 0 0 329.375 2.385 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2ccncn2)C1 ZINC000257208284 244141296 /nfs/dbraw/zinc/14/12/96/244141296.db2.gz BLMWWOPBKUDPFZ-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1cccc(Nc2cccc([C@H]3CCCN(C(=O)CO)C3)n2)n1 ZINC000257214346 244159737 /nfs/dbraw/zinc/15/97/37/244159737.db2.gz CLQUBVITAOBSRV-AWEZNQCLSA-N 0 0 326.400 2.227 40 0 EEABRN Cc1ccsc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257229728 244211207 /nfs/dbraw/zinc/21/12/07/244211207.db2.gz FZGLDYXCJIUMSF-QGZVFWFLSA-N 0 0 331.441 2.165 40 0 EEABRN Nc1nccnc1[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247027 244259489 /nfs/dbraw/zinc/25/94/89/244259489.db2.gz IXBHCLHGOKLEQN-LBPRGKRZSA-N 0 0 342.428 2.084 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257268436 244368188 /nfs/dbraw/zinc/36/81/88/244368188.db2.gz MLRHAJYBHXYXBV-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN Cc1ccn(CCC(=O)N2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257277501 244397279 /nfs/dbraw/zinc/39/72/79/244397279.db2.gz NYFHDMLVBWCBAI-OAHLLOKOSA-N 0 0 338.415 2.259 40 0 EEABRN CC(C)n1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 ZINC000257277270 244398172 /nfs/dbraw/zinc/39/81/72/244398172.db2.gz NXDZRVCMQVWQJI-CYBMUJFWSA-N 0 0 349.460 2.060 40 0 EEABRN O=C(NCc1ccco1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000019932806 212086212 /nfs/dbraw/zinc/08/62/12/212086212.db2.gz IJLPYRXXIXKQEH-UHFFFAOYSA-N 0 0 348.424 2.135 40 0 EEABRN Cn1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000257295866 244448191 /nfs/dbraw/zinc/44/81/91/244448191.db2.gz RAFCGKWDACNNCS-HNNXBMFYSA-N 0 0 338.411 2.233 40 0 EEABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1 ZINC000257314915 244502219 /nfs/dbraw/zinc/50/22/19/244502219.db2.gz UZDLCLMPUYBENU-INIZCTEOSA-N 0 0 348.472 2.075 40 0 EEABRN Cc1nccn1CCNC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000019657449 212054295 /nfs/dbraw/zinc/05/42/95/212054295.db2.gz RWXAEBWVYASOQM-UHFFFAOYSA-N 0 0 327.428 2.365 40 0 EEABRN CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2 ZINC000019588782 212048273 /nfs/dbraw/zinc/04/82/73/212048273.db2.gz YFVRWVLCMNTVLM-SFHVURJKSA-N 0 0 336.439 2.371 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(CC)c(=O)[nH]2)on1 ZINC000019522744 212037074 /nfs/dbraw/zinc/03/70/74/212037074.db2.gz NMYKTLRLPPLGDR-CYBMUJFWSA-N 0 0 330.388 2.168 40 0 EEABRN COCc1nnc(NC(=O)C[C@@H](C)n2nnc3ccccc32)s1 ZINC000019455556 212030030 /nfs/dbraw/zinc/03/00/30/212030030.db2.gz BDSGGMYNXPSRLZ-SECBINFHSA-N 0 0 332.389 2.019 40 0 EEABRN O=C(c1cscn1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 ZINC000019347257 212020285 /nfs/dbraw/zinc/02/02/85/212020285.db2.gz AYESHHFYHCRIKW-UHFFFAOYSA-N 0 0 340.408 2.399 40 0 EEABRN O=C(C[C@@H]1CCCCO1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341414 212017475 /nfs/dbraw/zinc/01/74/75/212017475.db2.gz BQRWSINORPYVBJ-GJZGRUSLSA-N 0 0 342.399 2.407 40 0 EEABRN CS(=O)(=O)CCOCCNc1cc2ccccc2c(Cl)n1 ZINC000078362118 217044628 /nfs/dbraw/zinc/04/46/28/217044628.db2.gz ZKNVSPNJTHUGRN-UHFFFAOYSA-N 0 0 328.821 2.361 40 0 EEABRN Cc1nc(CN(C)C(=O)C(=O)Nc2cc(F)c(F)cc2F)cs1 ZINC000078554224 217075266 /nfs/dbraw/zinc/07/52/66/217075266.db2.gz KMYIIUHGPOJDBW-UHFFFAOYSA-N 0 0 343.330 2.466 40 0 EEABRN CCOC1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078926083 217148658 /nfs/dbraw/zinc/14/86/58/217148658.db2.gz UJBNVPRHKMOODN-ZDUSSCGKSA-N 0 0 341.452 2.206 40 0 EEABRN CC(=O)Nc1ccc(/C=C/C(=O)NCC[S@](=O)C(C)(C)C)cc1 ZINC000079001850 217172516 /nfs/dbraw/zinc/17/25/16/217172516.db2.gz RPEQOLJDURKVEQ-BWAMLYQTSA-N 0 0 336.457 2.322 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000079098645 217193451 /nfs/dbraw/zinc/19/34/51/217193451.db2.gz YYBTWEHUPZMQID-QAPCUYQASA-N 0 0 327.432 2.430 40 0 EEABRN Cc1cccnc1[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000079358074 217215265 /nfs/dbraw/zinc/21/52/65/217215265.db2.gz PJYKMZKSMYIKIE-INIZCTEOSA-N 0 0 336.399 2.493 40 0 EEABRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000079320643 217208118 /nfs/dbraw/zinc/20/81/18/217208118.db2.gz NHTZKDQNAXNCKB-ZDUSSCGKSA-N 0 0 330.432 2.078 40 0 EEABRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(=O)[nH]n2)cc1 ZINC000080743257 217330044 /nfs/dbraw/zinc/33/00/44/217330044.db2.gz IQTKXVGWERONPP-UHFFFAOYSA-N 0 0 339.317 2.326 40 0 EEABRN CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C)ccc1C ZINC000005120168 284393662 /nfs/dbraw/zinc/39/36/62/284393662.db2.gz QNQIKZHCUVCINV-UHFFFAOYSA-N 0 0 326.462 2.229 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC000247832267 296263641 /nfs/dbraw/zinc/26/36/41/296263641.db2.gz LLCKFBJSGXELQI-DJIMGWMZSA-N 0 0 339.395 2.175 40 0 EEABRN C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccoc2)oc1=O ZINC000012154235 211309106 /nfs/dbraw/zinc/30/91/06/211309106.db2.gz QXAHDLLDPAMYFL-LLVKDONJSA-N 0 0 325.324 2.074 40 0 EEABRN Nc1cc(-c2ccco2)nn(CC(=O)NC2CCCCCCC2)c1=O ZINC000012146623 211306388 /nfs/dbraw/zinc/30/63/88/211306388.db2.gz LVHWYEMJCCEMAH-UHFFFAOYSA-N 0 0 344.415 2.315 40 0 EEABRN C[C@@H]1CCCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)C1 ZINC000010541340 211179842 /nfs/dbraw/zinc/17/98/42/211179842.db2.gz KIWGYBYIKGQETK-GFCCVEGCSA-N 0 0 344.864 2.365 40 0 EEABRN Cc1ccc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010447772 211174461 /nfs/dbraw/zinc/17/44/61/211174461.db2.gz CJYHPGJPERHSCA-UHFFFAOYSA-N 0 0 346.452 2.386 40 0 EEABRN Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000010150736 211149971 /nfs/dbraw/zinc/14/99/71/211149971.db2.gz PLVRVWGRPZWZOJ-IAGOWNOFSA-N 0 0 328.412 2.375 40 0 EEABRN NC(=O)c1cccc(C(=O)OCc2cn3cc(Cl)ccc3n2)c1 ZINC000095349258 218283893 /nfs/dbraw/zinc/28/38/93/218283893.db2.gz NRBRRQFDXQHIAC-UHFFFAOYSA-N 0 0 329.743 2.444 40 0 EEABRN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095398312 218330983 /nfs/dbraw/zinc/33/09/83/218330983.db2.gz HBUGEMSPSCCTSH-BDJLRTHQSA-N 0 0 335.367 2.048 40 0 EEABRN CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)[C@H](O)c1ccccc1F ZINC000095407000 218343306 /nfs/dbraw/zinc/34/33/06/218343306.db2.gz XONHAPDGNMUDFA-SJLPKXTDSA-N 0 0 333.407 2.347 40 0 EEABRN C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000095439550 218384095 /nfs/dbraw/zinc/38/40/95/218384095.db2.gz PDCMBQHTOLMWHT-PRWOLLLXSA-N 0 0 342.848 2.023 40 0 EEABRN CC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000095448980 218392708 /nfs/dbraw/zinc/39/27/08/218392708.db2.gz CAJNHGNHKKABEH-DYVFJYSZSA-N 0 0 332.444 2.409 40 0 EEABRN O=C(N1CCCC1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042189 218526732 /nfs/dbraw/zinc/52/67/32/218526732.db2.gz PDTXYSPXDZIIDZ-YESZJQIVSA-N 0 0 331.416 2.046 40 0 EEABRN O=C(NCc1ccccc1)NC[C@H]1COCc2nc3cccnc3n21 ZINC000096112556 218608581 /nfs/dbraw/zinc/60/85/81/218608581.db2.gz WYLFMUZPFYQIFX-AWEZNQCLSA-N 0 0 337.383 2.002 40 0 biogenic,in-vitro EEABRN CN1C(=O)CO[C@H](C(=O)NC2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000096181711 218643421 /nfs/dbraw/zinc/64/34/21/218643421.db2.gz VWDAETNZTAAJTD-SJORKVTESA-N 0 0 334.391 2.173 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)COCc2nc(-c3cccnc3)no2)C1 ZINC000096182088 218644030 /nfs/dbraw/zinc/64/40/30/218644030.db2.gz IFSVCMWQCJFNIQ-CHWSQXEVSA-N 0 0 330.388 2.153 40 0 EEABRN CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000096186054 218651774 /nfs/dbraw/zinc/65/17/74/218651774.db2.gz ZRFSFIKAJFMFIO-BPUTZDHNSA-N 0 0 343.420 2.173 40 0 EEABRN CO[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200146 218671910 /nfs/dbraw/zinc/67/19/10/218671910.db2.gz UIBVIWRCDYFPJM-JKSUJKDBSA-N 0 0 340.379 2.283 40 0 EEABRN O=C(Cc1ccco1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 ZINC000096218202 218692743 /nfs/dbraw/zinc/69/27/43/218692743.db2.gz OJPPZIQIBCVEOA-HNNXBMFYSA-N 0 0 342.399 2.177 40 0 EEABRN CC(C)NC(=O)N1CCC[C@]2(C1)COCCN(c1nccs1)C2 ZINC000096229242 218706503 /nfs/dbraw/zinc/70/65/03/218706503.db2.gz TYZBUNDKOPZFJP-MRXNPFEDSA-N 0 0 338.477 2.180 40 0 EEABRN O=C(CSc1ncccc1Br)NC[C@@H]1CCCO1 ZINC000096411972 218767799 /nfs/dbraw/zinc/76/77/99/218767799.db2.gz CZGGXLZTSJHPGF-VIFPVBQESA-N 0 0 331.235 2.231 40 0 EEABRN CN1C[C@H](NC(=O)Nc2cc(F)cc(N3CCCC3)c2)CCC1=O ZINC000096415866 218776018 /nfs/dbraw/zinc/77/60/18/218776018.db2.gz KXYXCMZIRHRXOI-CYBMUJFWSA-N 0 0 334.395 2.168 40 0 EEABRN O=C1CSc2c(O)n(-c3ccccc3)c(O)c2N1c1ccccc1 ZINC000101981967 284989066 /nfs/dbraw/zinc/98/90/66/284989066.db2.gz YBZLNTFHYHCKBN-HZPDHXFCSA-N 0 0 338.388 2.077 40 0 EEABRN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCc2n[nH]cc2C1 ZINC000096426186 218795967 /nfs/dbraw/zinc/79/59/67/218795967.db2.gz JMLQGXAMCXJTHH-CQSZACIVSA-N 0 0 344.802 2.001 40 0 EEABRN O=S(=O)(CC1CCOCC1)N1CCc2c(Cl)cccc2C1 ZINC000096428176 218800576 /nfs/dbraw/zinc/80/05/76/218800576.db2.gz SPPAHOOSRYQVOU-UHFFFAOYSA-N 0 0 329.849 2.455 40 0 EEABRN CCCn1cc(NC(=O)c2cc(N3CCNC3=O)ccc2F)cn1 ZINC000096431424 218805993 /nfs/dbraw/zinc/80/59/93/218805993.db2.gz OZQKLTPRLGYJSD-UHFFFAOYSA-N 0 0 331.351 2.214 40 0 EEABRN COC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000005576580 210493009 /nfs/dbraw/zinc/49/30/09/210493009.db2.gz LENUZRUACFOFCW-UHFFFAOYSA-N 0 0 327.336 2.426 40 0 EEABRN CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000096475687 218852268 /nfs/dbraw/zinc/85/22/68/218852268.db2.gz WURJRPNZLUWCGE-NEPJUHHUSA-N 0 0 347.427 2.471 40 0 EEABRN CC(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1 ZINC000004985344 210349931 /nfs/dbraw/zinc/34/99/31/210349931.db2.gz KNJLLUUXQFXINW-UHFFFAOYSA-N 0 0 326.400 2.150 40 0 EEABRN CCn1c(SC)nnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000004932476 210327893 /nfs/dbraw/zinc/32/78/93/210327893.db2.gz RECVCZNYSUEZHG-AWEZNQCLSA-N 0 0 345.472 2.364 40 0 EEABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC)CC(=O)N2 ZINC000004944303 210333807 /nfs/dbraw/zinc/33/38/07/210333807.db2.gz PJDRZNGBVZVVSM-JTQLQIEISA-N 0 0 331.397 2.365 40 0 EEABRN Cc1ccc(N2CCC(C(=O)N[C@H](CO)c3ccccc3)CC2)nc1 ZINC000097232997 219000860 /nfs/dbraw/zinc/00/08/60/219000860.db2.gz DHEGCLQHWYAVDB-GOSISDBHSA-N 0 0 339.439 2.456 40 0 EEABRN C[C@@H](NC(=O)c1ccco1)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000273131802 256268331 /nfs/dbraw/zinc/26/83/31/256268331.db2.gz ZZQQLJLUCDQQLU-QWHCGFSZSA-N 0 0 328.368 2.208 40 0 EEABRN C[C@@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000274183880 256361699 /nfs/dbraw/zinc/36/16/99/256361699.db2.gz PGWKTAWUSGUCRF-SWLSCSKDSA-N 0 0 327.421 2.355 40 0 EEABRN Cc1cnc(C(=O)N2CCn3c(ncc3-c3ccsc3)C2)cn1 ZINC000306125330 257917626 /nfs/dbraw/zinc/91/76/26/257917626.db2.gz CMRBIWAXUZBVBD-UHFFFAOYSA-N 0 0 325.397 2.366 40 0 EEABRN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000275554146 257993388 /nfs/dbraw/zinc/99/33/88/257993388.db2.gz UCQFJEPRQSQJCH-IRXDYDNUSA-N 0 0 330.428 2.177 40 0 EEABRN Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2/sccn2C)C(C)C)cc1 ZINC000104999925 258001975 /nfs/dbraw/zinc/00/19/75/258001975.db2.gz WSWBVDNEXSGGDQ-UFOSLELVSA-N 0 0 331.441 2.277 40 0 EEABRN COc1ccccc1N1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000055556916 132196265 /nfs/dbraw/zinc/19/62/65/132196265.db2.gz RQXKXYMNQCEZCJ-BBWFWOEESA-N 0 0 343.471 2.122 40 0 EEABRN Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ncccn4)CC3)c2c1 ZINC000036741381 132393077 /nfs/dbraw/zinc/39/30/77/132393077.db2.gz UEANDFACSQGOAV-UHFFFAOYSA-N 0 0 335.411 2.271 40 0 EEABRN CCOC(=O)C1=C(C)N(C)[C@@](c2ccccc2)(C(F)(F)F)NC1=O ZINC000000358622 285668337 /nfs/dbraw/zinc/66/83/37/285668337.db2.gz IBEOOTISWCFVEP-HNNXBMFYSA-N 0 0 342.317 2.300 40 0 EEABRN O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000169680706 226554480 /nfs/dbraw/zinc/55/44/80/226554480.db2.gz PAYBRUHLIHKCIH-BFHYXJOUSA-N 0 0 341.436 2.300 40 0 EEABRN COc1ccccc1N1CC[C@@H](N[C@H](CCO)c2ccco2)C1=O ZINC000192788007 274161043 /nfs/dbraw/zinc/16/10/43/274161043.db2.gz TYWQRNMIBUFBKH-ZIAGYGMSSA-N 0 0 330.384 2.107 40 0 EEABRN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3c(s2)CCS(=O)(=O)C3)C1 ZINC000095417007 287735244 /nfs/dbraw/zinc/73/52/44/287735244.db2.gz PRPBYDSCEYMSFT-MNOVXSKESA-N 0 0 327.471 2.480 40 0 EEABRN C[C@@H]1CCN(S(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 ZINC000096433535 274303479 /nfs/dbraw/zinc/30/34/79/274303479.db2.gz HDHPTUMTZOKIFV-MRXNPFEDSA-N 0 0 345.468 2.367 40 0 EEABRN Cn1nccc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000253398476 274903554 /nfs/dbraw/zinc/90/35/54/274903554.db2.gz SZXAAVFFIBRCFP-JTQLQIEISA-N 0 0 340.152 2.185 40 0 EEABRN CC(C)C(NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)C(C)C ZINC000224496939 277336096 /nfs/dbraw/zinc/33/60/96/277336096.db2.gz ROJVVAFVSWZJDO-INIZCTEOSA-N 0 0 340.489 2.416 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3cc(C)ccc3C)c(=O)c2cc1OC ZINC000408712639 277395964 /nfs/dbraw/zinc/39/59/64/277395964.db2.gz DIIIPBKKRRVXIR-UHFFFAOYSA-N 0 0 340.383 2.305 40 0 EEABRN CC1=N[C@@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261539 278512149 /nfs/dbraw/zinc/51/21/49/278512149.db2.gz NLGJXMOXHJUTBW-JTDSTZFVSA-N 0 0 341.459 2.287 40 0 EEABRN O=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cccn2)nn1 ZINC000070641225 280057650 /nfs/dbraw/zinc/05/76/50/280057650.db2.gz VYXHQDOKTHNEBU-UHFFFAOYSA-N 0 0 326.385 2.250 40 0 EEABRN Cc1nc(C[S@@](=O)Cc2nnnn2-c2cc(C)ccc2F)oc1C ZINC000096501475 293276841 /nfs/dbraw/zinc/27/68/41/293276841.db2.gz BYQFJSHFPKJDJY-XMMPIXPASA-N 0 0 349.391 2.164 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)c2ccc3c(c2)CCC3)cc(=O)[nH]1 ZINC000257233205 293348095 /nfs/dbraw/zinc/34/80/95/293348095.db2.gz GOGBKTYHCJONFV-QGZVFWFLSA-N 0 0 339.395 2.193 40 0 EEABRN Cn1ccc(N2CCC[C@H](Sc3nnc4n3CCCCC4)C2=O)n1 ZINC000133478093 294349470 /nfs/dbraw/zinc/34/94/70/294349470.db2.gz NMLVIDABGHZDEF-LBPRGKRZSA-N 0 0 346.460 2.026 40 0 EEABRN CCC1(O)CN(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)C1 ZINC000298120749 294425491 /nfs/dbraw/zinc/42/54/91/294425491.db2.gz PHPVKIXKYMJBPE-LBPRGKRZSA-N 0 0 332.322 2.465 40 0 EEABRN C[C@H]1CN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CCCO1 ZINC000171305288 300153389 /nfs/dbraw/zinc/15/33/89/300153389.db2.gz XQUFDDPUEGSJHA-DOTOQJQBSA-N 0 0 345.443 2.171 40 0 EEABRN Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1 ZINC000248087463 302963507 /nfs/dbraw/zinc/96/35/07/302963507.db2.gz BNZABRNOTBVDOF-QGZVFWFLSA-N 0 0 342.443 2.453 40 0 EEABRN C[C@@H](CNC(=O)N1CCO[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1 ZINC000334099342 312239348 /nfs/dbraw/zinc/23/93/48/312239348.db2.gz GRRMCBBXMDEYCP-SMDDNHRTSA-N 0 0 346.349 2.212 40 0 EEABRN COC1(CNC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CCC1 ZINC000097235959 323320991 /nfs/dbraw/zinc/32/09/91/323320991.db2.gz JSGJTZUZYVGCEA-CYBMUJFWSA-N 0 0 329.404 2.197 40 0 EEABRN O=C(NC[C@H]1CCc2ccccc21)N1CCCN(C(=O)C2CC2)CC1 ZINC000097102933 323321435 /nfs/dbraw/zinc/32/14/35/323321435.db2.gz ACDRPPXLYSSWCZ-QGZVFWFLSA-N 0 0 341.455 2.370 40 0 EEABRN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)[C@H]1COCCO1 ZINC000195580442 323515367 /nfs/dbraw/zinc/51/53/67/323515367.db2.gz CNQMSRNBNPJZBS-OAHLLOKOSA-N 0 0 347.802 2.368 40 0 EEABRN CCOC(=O)CC(Cc1ccccc1)(C(=O)OCC)C(=O)OCC ZINC000002578945 462595341 /nfs/dbraw/zinc/59/53/41/462595341.db2.gz RPNRGCZUORVKJF-UHFFFAOYSA-N 0 0 336.384 2.295 40 0 in-vitro EEABRN NC(=O)C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2F)on1 ZINC000060291820 462541325 /nfs/dbraw/zinc/54/13/25/462541325.db2.gz SZINOTCPGQRNJP-LLVKDONJSA-N 0 0 331.347 2.351 40 0 EEABRN NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1=C(CCC1)C2 ZINC000000031342 462540023 /nfs/dbraw/zinc/54/00/23/462540023.db2.gz WQVZRQFZDJCBIF-UHFFFAOYSA-N 0 0 339.420 2.304 40 0 EEABRN CSc1ncccc1C(=O)NC[C@@]1(O)CCc2ccccc2C1 ZINC000085559925 462552509 /nfs/dbraw/zinc/55/25/09/462552509.db2.gz SAKRHCWNSZBRPM-GOSISDBHSA-N 0 0 328.437 2.453 40 0 EEABRN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000000780421 462573952 /nfs/dbraw/zinc/57/39/52/462573952.db2.gz SZYMDRMFXLZBHQ-CYBMUJFWSA-N 0 0 348.443 2.471 40 0 EEABRN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N(C)Cc1cnn(C)c1C ZINC000002781666 462602827 /nfs/dbraw/zinc/60/28/27/462602827.db2.gz ITISBUPSJOOSHP-LLVKDONJSA-N 0 0 343.353 2.472 40 0 EEABRN CCCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000113968141 462619295 /nfs/dbraw/zinc/61/92/95/462619295.db2.gz DLYXYDLFSCGHNV-UHFFFAOYSA-N 0 0 326.462 2.458 40 0 EEABRN CCCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000113968343 462619317 /nfs/dbraw/zinc/61/93/17/462619317.db2.gz ATGROIAXAWUOLT-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN CO[C@]1(C)C[C@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C1(C)C ZINC000074975876 462661127 /nfs/dbraw/zinc/66/11/27/462661127.db2.gz USMRMFMAZIRKBK-GOEBONIOSA-N 0 0 325.430 2.371 40 0 EEABRN COc1cccc(Cl)c1CC(=O)NC[C@H](C)N1CCOC[C@H]1C ZINC000153638740 462673163 /nfs/dbraw/zinc/67/31/63/462673163.db2.gz AXGJTUGFZIWZSG-QWHCGFSZSA-N 0 0 340.851 2.117 40 0 EEABRN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1[C@@H]2CC[C@H]1COC2 ZINC000075166534 462691263 /nfs/dbraw/zinc/69/12/63/462691263.db2.gz MTMFTZZOPUAEJX-TUKIKUTGSA-N 0 0 334.803 2.083 40 0 EEABRN Cc1sc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000006679477 462696347 /nfs/dbraw/zinc/69/63/47/462696347.db2.gz GXCGAEFUNPCDQW-UHFFFAOYSA-N 0 0 330.475 2.369 40 0 EEABRN CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O ZINC000006879602 462709904 /nfs/dbraw/zinc/70/99/04/462709904.db2.gz USPBEIDHIYWESQ-JYRVWZFOSA-N 0 0 335.429 2.204 40 0 EEABRN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000006945365 462714011 /nfs/dbraw/zinc/71/40/11/462714011.db2.gz MZSURHYCOPMUGR-CYBMUJFWSA-N 0 0 342.461 2.057 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000010336721 462817465 /nfs/dbraw/zinc/81/74/65/462817465.db2.gz PLBULPZACYLUNC-KBPBESRZSA-N 0 0 326.462 2.373 40 0 EEABRN CCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010338281 462817814 /nfs/dbraw/zinc/81/78/14/462817814.db2.gz YAYIBBPGFHINIH-UHFFFAOYSA-N 0 0 326.462 2.276 40 0 EEABRN O=C(Cn1cc(Br)cn1)N1CCc2sccc2C1 ZINC000047902652 462834191 /nfs/dbraw/zinc/83/41/91/462834191.db2.gz BLZFJVHZEIJUQZ-UHFFFAOYSA-N 0 0 326.219 2.292 40 0 EEABRN CC[C@@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1ccc(F)cc1 ZINC000012199741 462846391 /nfs/dbraw/zinc/84/63/91/462846391.db2.gz VSIZUPKPJACIMD-MRXNPFEDSA-N 0 0 344.390 2.333 40 0 EEABRN Cc1nc(C(C)(C)NC(=O)CS(=O)(=O)C2CCCC2)sc1C ZINC000076478322 462866701 /nfs/dbraw/zinc/86/67/01/462866701.db2.gz NYUFUBHDSQHEMZ-UHFFFAOYSA-N 0 0 344.502 2.469 40 0 EEABRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccnc4ccnn43)c12 ZINC000076640245 462888740 /nfs/dbraw/zinc/88/87/40/462888740.db2.gz GQEJZZSIXSIZDH-UHFFFAOYSA-N 0 0 347.382 2.449 40 0 EEABRN COc1ccccc1N1CC[C@H](NC(=O)N(C)Cc2ccco2)C1=O ZINC000133608013 462950430 /nfs/dbraw/zinc/95/04/30/462950430.db2.gz YWLADEAFEKJEND-AWEZNQCLSA-N 0 0 343.383 2.235 40 0 EEABRN COCCCn1ccc(NC(=O)NCc2cccc(N(C)C)c2)n1 ZINC000077513440 462998242 /nfs/dbraw/zinc/99/82/42/462998242.db2.gz HABVJOAGXMGIKY-UHFFFAOYSA-N 0 0 331.420 2.307 40 0 EEABRN CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000077735323 463033879 /nfs/dbraw/zinc/03/38/79/463033879.db2.gz DLYDUETYYDHTJN-WDEREUQCSA-N 0 0 329.404 2.269 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042246 463147549 /nfs/dbraw/zinc/14/75/49/463147549.db2.gz QTLIQFCCXMTQSR-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN c1csc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096042200 463147823 /nfs/dbraw/zinc/14/78/23/463147823.db2.gz OECHILCBNUORAD-YQQAZPJKSA-N 0 0 331.441 2.487 40 0 EEABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)Cc1ccsc1 ZINC000096045376 463148898 /nfs/dbraw/zinc/14/88/98/463148898.db2.gz WPXUJWXFKZPUEB-OAHLLOKOSA-N 0 0 346.456 2.065 40 0 EEABRN Cc1cc(C(=O)N2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)c(C)o1 ZINC000096046217 463150564 /nfs/dbraw/zinc/15/05/64/463150564.db2.gz KZOAHFQZMVMJCA-NWANDNLSSA-N 0 0 330.388 2.315 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046165 463150652 /nfs/dbraw/zinc/15/06/52/463150652.db2.gz FFTJQUIZNJLZNT-NUEKZKHPSA-N 0 0 342.399 2.382 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)n1 ZINC000096048578 463151539 /nfs/dbraw/zinc/15/15/39/463151539.db2.gz UCAFMCPZAWXRAN-YJBOKZPZSA-N 0 0 326.400 2.223 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049583 463153604 /nfs/dbraw/zinc/15/36/04/463153604.db2.gz URQVOXANGXXCPM-LJQANCHMSA-N 0 0 344.459 2.216 40 0 EEABRN O=C(c1ccoc1)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 ZINC000096058133 463160387 /nfs/dbraw/zinc/16/03/87/463160387.db2.gz DETGZQXHZREUNK-GVDBMIGSSA-N 0 0 328.368 2.263 40 0 EEABRN COc1ccc(S(=O)(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1F ZINC000096066471 463165052 /nfs/dbraw/zinc/16/50/52/463165052.db2.gz SECIHMLINZYVTP-COPLHBTASA-N 0 0 329.393 2.022 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096098297 463171832 /nfs/dbraw/zinc/17/18/32/463171832.db2.gz XHJJGJRLWMFTSV-OAHLLOKOSA-N 0 0 330.409 2.160 40 0 EEABRN O=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CCCCC1 ZINC000096098918 463172087 /nfs/dbraw/zinc/17/20/87/463172087.db2.gz OCDFTZDHNHIJRX-UHFFFAOYSA-N 0 0 334.445 2.197 40 0 EEABRN Fc1cnc(N2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)nc1 ZINC000096106093 463173962 /nfs/dbraw/zinc/17/39/62/463173962.db2.gz IALGUCNRISDGKM-MRXNPFEDSA-N 0 0 344.390 2.465 40 0 EEABRN CO[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(C)s1 ZINC000096104824 463174248 /nfs/dbraw/zinc/17/42/48/463174248.db2.gz NZHYNYQEWKVZLD-GFCCVEGCSA-N 0 0 343.474 2.073 40 0 EEABRN CCCS(=O)(=O)N1CCC2(CO[C@@H](COCC3CC3)C2)CC1 ZINC000096106028 463174287 /nfs/dbraw/zinc/17/42/87/463174287.db2.gz NAHZEZLIHVETHI-OAHLLOKOSA-N 0 0 331.478 2.024 40 0 EEABRN O=C(CCOc1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096108749 463177395 /nfs/dbraw/zinc/17/73/95/463177395.db2.gz WCVQHYJZUHEPGA-YLJYHZDGSA-N 0 0 345.439 2.357 40 0 EEABRN O=C(CC1CC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 ZINC000096111178 463179731 /nfs/dbraw/zinc/17/97/31/463179731.db2.gz HCNGFNRMZBARKT-QAPCUYQASA-N 0 0 334.391 2.407 40 0 EEABRN COCCNC(=O)c1ccc(NCCCc2nc(C)cs2)nc1 ZINC000079031113 463181612 /nfs/dbraw/zinc/18/16/12/463181612.db2.gz PRIFTBOXIHGNON-UHFFFAOYSA-N 0 0 334.445 2.267 40 0 EEABRN Cc1cc(N2CCCC2)nc(CNS(=O)(=O)Cc2ccccc2)n1 ZINC000096120796 463182299 /nfs/dbraw/zinc/18/22/99/463182299.db2.gz JLJJDAILGGYDEO-UHFFFAOYSA-N 0 0 346.456 2.005 40 0 EEABRN COc1ccc(CC(=O)NCc2nccc(N3CCCCC3)n2)cc1 ZINC000096120841 463182513 /nfs/dbraw/zinc/18/25/13/463182513.db2.gz JTCFODNVEVMBOJ-UHFFFAOYSA-N 0 0 340.427 2.334 40 0 EEABRN CN(CC1CC1)c1ccc2ccc(C(=O)N3CCN(C)CC3)cn21 ZINC000096146152 463185608 /nfs/dbraw/zinc/18/56/08/463185608.db2.gz XUIDORIMHHBLDS-UHFFFAOYSA-N 0 0 326.444 2.173 40 0 EEABRN O=C(c1ccoc1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 ZINC000096159164 463191060 /nfs/dbraw/zinc/19/10/60/463191060.db2.gz HBTGBBVJTXNCFD-UHFFFAOYSA-N 0 0 346.408 2.379 40 0 EEABRN CCn1cc2c(n1)[C@@H](COC)CN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096198060 463203504 /nfs/dbraw/zinc/20/35/04/463203504.db2.gz ODJBWHBTQIDSBT-OAHLLOKOSA-N 0 0 349.456 2.146 40 0 EEABRN Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCN(C)C3=O)C2)n1 ZINC000096201857 463206679 /nfs/dbraw/zinc/20/66/79/463206679.db2.gz NQTBXOOPJHSGJL-LAUBAEHRSA-N 0 0 349.434 2.478 40 0 EEABRN Cc1noc(C[C@H]2C[C@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]3O2)n1 ZINC000096218925 463216449 /nfs/dbraw/zinc/21/64/49/463216449.db2.gz OYJNMURGROSVBI-LGYHGODRSA-N 0 0 345.424 2.311 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000096240830 463225163 /nfs/dbraw/zinc/22/51/63/463225163.db2.gz HISKAWOBFGLACM-AWEZNQCLSA-N 0 0 348.468 2.143 40 0 EEABRN c1cnc(N2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)nc1 ZINC000096244258 463225629 /nfs/dbraw/zinc/22/56/29/463225629.db2.gz YUINDLYAZJTZKQ-LJQANCHMSA-N 0 0 346.394 2.007 40 0 EEABRN CNC(=O)N1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244710 463225640 /nfs/dbraw/zinc/22/56/40/463225640.db2.gz DAHPQIHAQKPGTB-LJQANCHMSA-N 0 0 338.411 2.265 40 0 EEABRN O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(C(=O)Nc3ccccc3)[C@@H]2C1 ZINC000096251673 463227755 /nfs/dbraw/zinc/22/77/55/463227755.db2.gz BPKHVQFKLRZLMW-USXIJHARSA-N 0 0 343.427 2.224 40 0 EEABRN Cc1nnsc1C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000096367196 463236169 /nfs/dbraw/zinc/23/61/69/463236169.db2.gz LLFNVWSOMPTROZ-INIZCTEOSA-N 0 0 329.381 2.097 40 0 EEABRN Cc1cc(C)n(CCCNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1 ZINC000096403510 463238460 /nfs/dbraw/zinc/23/84/60/463238460.db2.gz GUMOIONLNNMGFP-ZDUSSCGKSA-N 0 0 334.464 2.091 40 0 EEABRN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000096407370 463240210 /nfs/dbraw/zinc/24/02/10/463240210.db2.gz IGUXWLSZBCNQJC-BPQIPLTHSA-N 0 0 342.418 2.448 40 0 EEABRN O=C(NCCCO)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000096407006 463240556 /nfs/dbraw/zinc/24/05/56/463240556.db2.gz WEFHLLPJKQDKCE-HSZRJFAPSA-N 0 0 332.425 2.498 40 0 EEABRN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407598 463240695 /nfs/dbraw/zinc/24/06/95/463240695.db2.gz DNQKRKYRHHASFD-DZGCQCFKSA-N 0 0 349.450 2.462 40 0 EEABRN COc1cccc(N2CCC[C@@H](NC(=O)CCn3cc(C)cn3)C2)c1 ZINC000096409282 463242607 /nfs/dbraw/zinc/24/26/07/463242607.db2.gz MLXKDSJCJGBTCW-MRXNPFEDSA-N 0 0 342.443 2.375 40 0 EEABRN COC(=O)[C@@H](NCc1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000096410394 463243571 /nfs/dbraw/zinc/24/35/71/463243571.db2.gz AKROCOWILQKSMK-HNNXBMFYSA-N 0 0 332.787 2.443 40 0 EEABRN C[C@H](C(=O)N1CCCC[C@H]1C1OCCO1)N1CCc2ccccc2C1 ZINC000096412374 463244562 /nfs/dbraw/zinc/24/45/62/463244562.db2.gz TVRQFJHKFYQPNN-QAPCUYQASA-N 0 0 344.455 2.187 40 0 EEABRN CCn1nnnc1-c1cccc(NC(=O)c2cc(C)nn2CC)c1 ZINC000096413955 463246437 /nfs/dbraw/zinc/24/64/37/463246437.db2.gz UQSSFIVOJJUPKW-UHFFFAOYSA-N 0 0 325.376 2.137 40 0 EEABRN Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000096415340 463248281 /nfs/dbraw/zinc/24/82/81/463248281.db2.gz MMLPVSRUTBKGPW-GFCCVEGCSA-N 0 0 333.363 2.300 40 0 EEABRN CC(C)[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccccc1 ZINC000096417626 463249736 /nfs/dbraw/zinc/24/97/36/463249736.db2.gz SIPIXBHKYYLADY-GDBMZVCRSA-N 0 0 338.473 2.255 40 0 EEABRN Cc1nnc([C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)C(C)C)[nH]1 ZINC000096418570 463250372 /nfs/dbraw/zinc/25/03/72/463250372.db2.gz VHFKMJXIAWQNFD-MRXNPFEDSA-N 0 0 341.415 2.367 40 0 EEABRN C[C@@H](CNC(=O)c1cncc(Br)c1)CC1(C)OCCO1 ZINC000096418663 463250811 /nfs/dbraw/zinc/25/08/11/463250811.db2.gz RSFJAYPNQKHCTI-SNVBAGLBSA-N 0 0 343.221 2.363 40 0 EEABRN CCn1cc(S(=O)(=O)N(Cc2ccco2)c2ccccn2)cn1 ZINC000096420439 463251942 /nfs/dbraw/zinc/25/19/42/463251942.db2.gz JKLHMULHIIASOK-UHFFFAOYSA-N 0 0 332.385 2.287 40 0 EEABRN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc(N(C)C)cc2)c1 ZINC000096423162 463254182 /nfs/dbraw/zinc/25/41/82/463254182.db2.gz YBNCUILKDHNMMY-UHFFFAOYSA-N 0 0 339.439 2.427 40 0 EEABRN Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)on1 ZINC000096425842 463254781 /nfs/dbraw/zinc/25/47/81/463254781.db2.gz HDHANAWDKBXJOA-VIFPVBQESA-N 0 0 326.349 2.017 40 0 EEABRN CCOC(=O)C1(NCc2nnnn2-c2ccccc2)CCCCC1 ZINC000096424458 463254792 /nfs/dbraw/zinc/25/47/92/463254792.db2.gz CXHPCKQJRMKFGF-UHFFFAOYSA-N 0 0 329.404 2.018 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCCC2 ZINC000096432489 463260975 /nfs/dbraw/zinc/26/09/75/463260975.db2.gz IOQIOGRCJDTDFN-GJZGRUSLSA-N 0 0 341.415 2.130 40 0 EEABRN Cc1ncsc1CCSc1nnc([C@H]2CCCCO2)n1N ZINC000096436706 463264528 /nfs/dbraw/zinc/26/45/28/463264528.db2.gz YVPWMOAPDDLNQG-SNVBAGLBSA-N 0 0 325.463 2.333 40 0 EEABRN Cc1ncsc1CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096436364 463265151 /nfs/dbraw/zinc/26/51/51/463265151.db2.gz COBXZYKNVPHKBF-INIZCTEOSA-N 0 0 345.468 2.359 40 0 EEABRN CS[C@H]1CC[C@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000096437532 463266216 /nfs/dbraw/zinc/26/62/16/463266216.db2.gz KZGZYUROMDDDKA-HOTGVXAUSA-N 0 0 345.472 2.410 40 0 EEABRN CC(=O)N1CCC(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000096442385 463268819 /nfs/dbraw/zinc/26/88/19/463268819.db2.gz YITVYGNSOJRURZ-MRXNPFEDSA-N 0 0 330.428 2.315 40 0 EEABRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000096446558 463270856 /nfs/dbraw/zinc/27/08/56/463270856.db2.gz LGVLEYYDPZSKEV-QFYYESIMSA-N 0 0 348.399 2.136 40 0 EEABRN CCS[C@@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000096451481 463273112 /nfs/dbraw/zinc/27/31/12/463273112.db2.gz SQRFCJPGEHSQHC-GOEBONIOSA-N 0 0 345.472 2.385 40 0 EEABRN CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)CC1 ZINC000096451944 463273157 /nfs/dbraw/zinc/27/31/57/463273157.db2.gz UVLHTZHHXUCCGP-UHFFFAOYSA-N 0 0 325.474 2.238 40 0 EEABRN O=[S@](CCN1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000096452014 463273346 /nfs/dbraw/zinc/27/33/46/463273346.db2.gz OMRQDQLZRWQWCJ-DEOSSOPVSA-N 0 0 344.480 2.318 40 0 EEABRN C[C@@H](N1CCN(c2ccccc2S(C)(=O)=O)CC1)C(F)(F)F ZINC000096453773 463273769 /nfs/dbraw/zinc/27/37/69/463273769.db2.gz JZXRZKPPMOCHRV-LLVKDONJSA-N 0 0 336.379 2.163 40 0 EEABRN Cc1c(Br)cccc1S(=O)(=O)N(C)C[C@@H]1CCOC1 ZINC000096454046 463274618 /nfs/dbraw/zinc/27/46/18/463274618.db2.gz HJMJRXXFWJPUIJ-NSHDSACASA-N 0 0 348.262 2.415 40 0 EEABRN O=C(Cn1cc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cn1)NC1CCCC1 ZINC000096462427 463277898 /nfs/dbraw/zinc/27/78/98/463277898.db2.gz ARAWSZYULNSBJL-OKILXGFUSA-N 0 0 345.447 2.206 40 0 EEABRN Cc1cnn(CCC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c1 ZINC000096466884 463278141 /nfs/dbraw/zinc/27/81/41/463278141.db2.gz AJAWDDMCVGXIOA-QGZVFWFLSA-N 0 0 341.411 2.082 40 0 EEABRN Cc1nc(CNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)no1 ZINC000096477199 463279921 /nfs/dbraw/zinc/27/99/21/463279921.db2.gz OXEBISCDFLSFML-NSHDSACASA-N 0 0 328.294 2.351 40 0 EEABRN CC(C)c1nccn1CCC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000096476302 463280321 /nfs/dbraw/zinc/28/03/21/463280321.db2.gz VFJKPIPDDMLGSC-UHFFFAOYSA-N 0 0 342.443 2.451 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096474863 463280551 /nfs/dbraw/zinc/28/05/51/463280551.db2.gz VDTJDFPEBJLXRD-GHMZBOCLSA-N 0 0 348.415 2.191 40 0 EEABRN Cc1ccc(N2CCC[C@H]2COC(=O)c2cccc3c[nH]nc32)nn1 ZINC000096483313 463282692 /nfs/dbraw/zinc/28/26/92/463282692.db2.gz QIJFUVNQNWIXDI-AWEZNQCLSA-N 0 0 337.383 2.487 40 0 EEABRN O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1OCCc2ccccc21 ZINC000096483421 463282720 /nfs/dbraw/zinc/28/27/20/463282720.db2.gz PGWLOLVWKIDKGU-GOSISDBHSA-N 0 0 344.455 2.062 40 0 EEABRN Cc1nn(C)c(C)c1CCOC(=O)c1cnn(-c2ccccn2)c1C ZINC000096485458 463283850 /nfs/dbraw/zinc/28/38/50/463283850.db2.gz RIKLTGOQGRIPTA-UHFFFAOYSA-N 0 0 339.399 2.326 40 0 EEABRN COc1ccc(-c2nnn(CCc3csc(C)n3)n2)cc1OC ZINC000096488972 463285375 /nfs/dbraw/zinc/28/53/75/463285375.db2.gz ZIVNRLBJSKOSDA-UHFFFAOYSA-N 0 0 331.401 2.365 40 0 EEABRN CS[C@@H]1CC[C@H](N(C)C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000096490265 463286635 /nfs/dbraw/zinc/28/66/35/463286635.db2.gz GJARUSUSZWMTIE-WDEREUQCSA-N 0 0 337.470 2.421 40 0 EEABRN COC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 ZINC000096500252 463289820 /nfs/dbraw/zinc/28/98/20/463289820.db2.gz ADSFPKAIRFXYDG-GJZGRUSLSA-N 0 0 348.418 2.372 40 0 EEABRN O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000097104771 463324946 /nfs/dbraw/zinc/32/49/46/463324946.db2.gz HFAVDNNXOQZUSA-KRWDZBQOSA-N 0 0 338.473 2.219 40 0 EEABRN O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000097104058 463325351 /nfs/dbraw/zinc/32/53/51/463325351.db2.gz ZZIXUGYVBDVUTG-AWEZNQCLSA-N 0 0 328.416 2.354 40 0 EEABRN COc1cccc([C@@H](O)C(=O)N(C)Cc2cn(C)nc2C(C)C)c1 ZINC000097230367 463351238 /nfs/dbraw/zinc/35/12/38/463351238.db2.gz WIZNDTUKXAVSSR-QGZVFWFLSA-N 0 0 331.416 2.244 40 0 EEABRN C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccccc21 ZINC000071976918 463479979 /nfs/dbraw/zinc/47/99/79/463479979.db2.gz VSONBVXXMUGFHP-JTQLQIEISA-N 0 0 330.365 2.434 40 0 EEABRN C[C@@H]1CN(C(=O)CCN2c3ccccc3C(C)(C)C2=O)C[C@@H](C)O1 ZINC000057355675 463480241 /nfs/dbraw/zinc/48/02/41/463480241.db2.gz FTQJWBMNQPADIP-ZIAGYGMSSA-N 0 0 330.428 2.337 40 0 EEABRN COc1ccc([C@H]2[C@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227041 463483696 /nfs/dbraw/zinc/48/36/96/463483696.db2.gz XIHXRPLNNYKDAJ-ROUUACIJSA-N 0 0 342.395 2.123 40 0 EEABRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccccn2)C1 ZINC000057893500 463528937 /nfs/dbraw/zinc/52/89/37/463528937.db2.gz ZQFYWGUQRYBAEN-HNNXBMFYSA-N 0 0 338.367 2.218 40 0 EEABRN COC(=O)c1ccc(C)c(NC(=O)N2CCN(CC(F)F)CC2)c1 ZINC000057986766 463534398 /nfs/dbraw/zinc/53/43/98/463534398.db2.gz SLACBOZJKUHJIS-UHFFFAOYSA-N 0 0 341.358 2.196 40 0 EEABRN COC(=O)[C@@H](c1ccccc1C)N1CCN(Cc2ccon2)CC1 ZINC000163026307 463557463 /nfs/dbraw/zinc/55/74/63/463557463.db2.gz HXYWYZRXQKNTMJ-QGZVFWFLSA-N 0 0 329.400 2.015 40 0 EEABRN COc1cc(/C=C/C(=O)NCc2ccnc(OC)c2)cc(OC)c1 ZINC000042644167 463582935 /nfs/dbraw/zinc/58/29/35/463582935.db2.gz DVPBBGXQZPHVFO-SNAWJCMRSA-N 0 0 328.368 2.437 40 0 EEABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(F)c3)C2=O)o1 ZINC000107958207 463586844 /nfs/dbraw/zinc/58/68/44/463586844.db2.gz DYQNNSQKNVCBNA-JYRVWZFOSA-N 0 0 344.298 2.298 40 0 EEABRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCCCC1 ZINC000084515488 463609654 /nfs/dbraw/zinc/60/96/54/463609654.db2.gz FALKPCLZVIBGOB-UHFFFAOYSA-N 0 0 328.434 2.245 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)NCCCn1ncc2ccccc21 ZINC000257173399 463756153 /nfs/dbraw/zinc/75/61/53/463756153.db2.gz LXXGARSWRMYMOQ-UHFFFAOYSA-N 0 0 325.416 2.136 40 0 EEABRN Cc1cc(CN2CCC[C@@H](c3ccc4c(N)nn(C)c4n3)C2)no1 ZINC000257281808 463759939 /nfs/dbraw/zinc/75/99/39/463759939.db2.gz ORBXRGDZEWLPIZ-GFCCVEGCSA-N 0 0 326.404 2.227 40 0 EEABRN C[C@@H](O)CN(Cc1cccc2ccccc21)C(=O)c1cnc[nH]c1=O ZINC000257280965 463760559 /nfs/dbraw/zinc/76/05/59/463760559.db2.gz ONCLPEHEQSHGIE-CYBMUJFWSA-N 0 0 337.379 2.359 40 0 EEABRN CCn1cc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cn1 ZINC000257286582 463763169 /nfs/dbraw/zinc/76/31/69/463763169.db2.gz PMDACSRVZOUSDP-ROUUACIJSA-N 0 0 333.407 2.446 40 0 EEABRN Cc1csc(Nc2cc([C@H]3CC[N@H+](CC(=O)[O-])C3)nc(C)n2)n1 ZINC000257295101 463765429 /nfs/dbraw/zinc/76/54/29/463765429.db2.gz QWZGJRWJWBGSPL-NSHDSACASA-N 0 0 333.417 2.167 40 0 EEABRN Cc1cccc(N2CCC[C@H](N(C)C(=O)COc3cccnc3)C2)n1 ZINC000257293041 463765623 /nfs/dbraw/zinc/76/56/23/463765623.db2.gz QNXNKJFCQDTPFB-INIZCTEOSA-N 0 0 340.427 2.291 40 0 EEABRN CC(=O)N1CCN(C(=O)c2scnc2C)[C@H](c2ccccc2)C1 ZINC000257304806 463770326 /nfs/dbraw/zinc/77/03/26/463770326.db2.gz SNFGVEGEKSTIEL-HNNXBMFYSA-N 0 0 329.425 2.497 40 0 EEABRN COCc1ccc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cc1 ZINC000257319541 463776091 /nfs/dbraw/zinc/77/60/91/463776091.db2.gz VSYSCXDBVUYZOJ-MRXNPFEDSA-N 0 0 341.411 2.447 40 0 EEABRN Cc1nn(C)c(C)c1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257325902 463778224 /nfs/dbraw/zinc/77/82/24/463778224.db2.gz WUYAREPFTRANCH-QGZVFWFLSA-N 0 0 329.448 2.071 40 0 EEABRN CN(C)c1nccnc1[C@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000257326409 463780240 /nfs/dbraw/zinc/78/02/40/463780240.db2.gz WXDBZULJORDPJW-CQSZACIVSA-N 0 0 346.456 2.137 40 0 EEABRN CC(C)[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260892867 463791601 /nfs/dbraw/zinc/79/16/01/463791601.db2.gz FDCTZFKVUWTUEU-QWRGUYRKSA-N 0 0 348.415 2.280 40 0 EEABRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1nn[nH]n1 ZINC000194667891 463905343 /nfs/dbraw/zinc/90/53/43/463905343.db2.gz OAMNZOHIQXCEPO-UHFFFAOYSA-N 0 0 334.792 2.082 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000195277651 464029965 /nfs/dbraw/zinc/02/99/65/464029965.db2.gz COODIFSMHKQPSZ-OCCSQVGLSA-N 0 0 343.420 2.085 40 0 EEABRN CN(CCC(=O)NC1CC1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000195531244 464072102 /nfs/dbraw/zinc/07/21/02/464072102.db2.gz BVBMBWKVFWNXRJ-XLIONFOSSA-N 0 0 326.440 2.408 40 0 EEABRN CC(C)(C)[C@@H](CO)NC(=O)Nc1ccn(-c2ncccc2Cl)n1 ZINC000195557354 464075899 /nfs/dbraw/zinc/07/58/99/464075899.db2.gz CJCNDKATONFOOA-LLVKDONJSA-N 0 0 337.811 2.449 40 0 EEABRN COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)N(C)C(C)C ZINC000195577602 464079979 /nfs/dbraw/zinc/07/99/79/464079979.db2.gz RKDRBWSQJHSOHL-HNNXBMFYSA-N 0 0 335.379 2.441 40 0 EEABRN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000195574589 464080463 /nfs/dbraw/zinc/08/04/63/464080463.db2.gz HBDIOPLLKQUHPX-RBOXIYTFSA-N 0 0 345.411 2.336 40 0 EEABRN CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCO)c1ccccc1 ZINC000223333771 464141099 /nfs/dbraw/zinc/14/10/99/464141099.db2.gz MYTQTHTUXLRVDC-IBGZPJMESA-N 0 0 340.423 2.275 40 0 EEABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC(C)C ZINC000223358635 464142004 /nfs/dbraw/zinc/14/20/04/464142004.db2.gz JKHBKGYPGLJBIV-HNNXBMFYSA-N 0 0 342.461 2.012 40 0 EEABRN CNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224320371 464151075 /nfs/dbraw/zinc/15/10/75/464151075.db2.gz YFYGBPIWMHRBET-UHFFFAOYSA-N 0 0 348.424 2.188 40 0 EEABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(COC)c2)CC1 ZINC000224400415 464151314 /nfs/dbraw/zinc/15/13/14/464151314.db2.gz XFKBVYGZVGYNLN-UHFFFAOYSA-N 0 0 335.400 2.257 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 ZINC000225423076 464158828 /nfs/dbraw/zinc/15/88/28/464158828.db2.gz DMIXBXIABVAIFM-ZBFHGGJFSA-N 0 0 327.384 2.232 40 0 EEABRN Cc1ccnc(N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)n1 ZINC000225475337 464163978 /nfs/dbraw/zinc/16/39/78/464163978.db2.gz GSOJVGUBBWPGLI-HNNXBMFYSA-N 0 0 342.447 2.028 40 0 EEABRN COc1nccnc1O[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000225494274 464166334 /nfs/dbraw/zinc/16/63/34/464166334.db2.gz UQYNHOZPFNGNGL-GFCCVEGCSA-N 0 0 344.371 2.034 40 0 EEABRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCCc1nnc2n1CCC2 ZINC000225535955 464169929 /nfs/dbraw/zinc/16/99/29/464169929.db2.gz QJABZGFTKFFRIW-JTQLQIEISA-N 0 0 345.369 2.139 40 0 EEABRN COc1cccc(Cc2nc(CC(=O)NC3CCCCC3)no2)n1 ZINC000225592646 464173868 /nfs/dbraw/zinc/17/38/68/464173868.db2.gz PBYAPZYESJGNPT-UHFFFAOYSA-N 0 0 330.388 2.055 40 0 EEABRN Cc1nc(C(=O)NCCSc2n[nH]c(-c3ccccc3)n2)co1 ZINC000225890402 464182582 /nfs/dbraw/zinc/18/25/82/464182582.db2.gz NTZCYOBETLBFKS-UHFFFAOYSA-N 0 0 329.385 2.290 40 0 EEABRN Cc1nc(Br)sc1S(=O)(=O)N1CCCCC1 ZINC000225769129 464182612 /nfs/dbraw/zinc/18/26/12/464182612.db2.gz XLDDEYWBDJEBJW-UHFFFAOYSA-N 0 0 325.253 2.389 40 0 EEABRN C[C@@H](NCC1OCCO1)c1cc2c(cc1Br)OCCO2 ZINC000180244512 464273221 /nfs/dbraw/zinc/27/32/21/464273221.db2.gz DETXDNINRCYHQV-SECBINFHSA-N 0 0 344.205 2.244 40 0 EEABRN O=C(CNC(=O)[C@H]1CCOc2ccc(Cl)cc21)Nc1cccnc1 ZINC000240412857 464446706 /nfs/dbraw/zinc/44/67/06/464446706.db2.gz FOJDDGKADYHEHN-ZDUSSCGKSA-N 0 0 345.786 2.356 40 0 EEABRN CCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000244181273 464460908 /nfs/dbraw/zinc/46/09/08/464460908.db2.gz VJGHLACNPDLBKI-UHFFFAOYSA-N 0 0 332.853 2.331 40 0 EEABRN CCOC(=O)CCC(=O)N1CCC(Oc2ccncc2Cl)CC1 ZINC000244969108 464466665 /nfs/dbraw/zinc/46/66/65/464466665.db2.gz GYPWHUJOZXLKAV-UHFFFAOYSA-N 0 0 340.807 2.448 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 ZINC000247822727 464708461 /nfs/dbraw/zinc/70/84/61/464708461.db2.gz IBZZDJARHQQRDP-INIZCTEOSA-N 0 0 328.412 2.434 40 0 EEABRN O=C(c1ccncc1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247855466 464710340 /nfs/dbraw/zinc/71/03/40/464710340.db2.gz KKABVBMIYBEWSU-MRXNPFEDSA-N 0 0 348.468 2.225 40 0 EEABRN COc1ccc(CN2CCn3c(C(=O)NC(C)C)cnc3C2)cc1 ZINC000247905800 464714205 /nfs/dbraw/zinc/71/42/05/464714205.db2.gz SEBLPTSAKDPVBY-UHFFFAOYSA-N 0 0 328.416 2.046 40 0 EEABRN COc1cc(S(=O)(=O)N(CCO)c2cccc(F)c2)ccc1F ZINC000190815905 464725963 /nfs/dbraw/zinc/72/59/63/464725963.db2.gz AEEZSTJVVUEJQK-UHFFFAOYSA-N 0 0 343.351 2.161 40 0 EEABRN Cn1ccnc1C(=O)N1CCC2(CCC(=O)N(CC3CCC3)C2)CC1 ZINC000248165722 464735989 /nfs/dbraw/zinc/73/59/89/464735989.db2.gz ZQTATQNKLFUEEY-UHFFFAOYSA-N 0 0 344.459 2.065 40 0 EEABRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000248836360 464808791 /nfs/dbraw/zinc/80/87/91/464808791.db2.gz NBOFBWBHYBNTEB-RCCFBDPRSA-N 0 0 342.439 2.109 40 0 EEABRN C[C@H]1CCN(Cc2ccc(OCC(F)F)cc2)CCS1(=O)=O ZINC000192048942 464856498 /nfs/dbraw/zinc/85/64/98/464856498.db2.gz FWYJFLRBFMSINS-LBPRGKRZSA-N 0 0 333.400 2.340 40 0 EEABRN C[C@@H]1CN(C(=O)NCc2ccc(C(F)F)cc2)CCS(=O)(=O)C1 ZINC000192206461 464885005 /nfs/dbraw/zinc/88/50/05/464885005.db2.gz HKEQIMJCBKNDBK-LLVKDONJSA-N 0 0 346.399 2.200 40 0 EEABRN Cn1cc([C@H](O)C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)cn1 ZINC000252501674 464972563 /nfs/dbraw/zinc/97/25/63/464972563.db2.gz UHPXFWMYIMRTQJ-KRWDZBQOSA-N 0 0 327.428 2.336 40 0 EEABRN C[C@@H](Cc1cccs1)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000252510136 464975014 /nfs/dbraw/zinc/97/50/14/464975014.db2.gz ZCDQGQVBNXHDBR-CMPLNLGQSA-N 0 0 336.379 2.058 40 0 EEABRN COc1cccc(CCNC(=O)c2cccnc2O[C@H]2CCOC2)c1 ZINC000253403624 465001915 /nfs/dbraw/zinc/00/19/15/465001915.db2.gz QGLHHMMZGARZPC-INIZCTEOSA-N 0 0 342.395 2.230 40 0 EEABRN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ncn(C(C)(C)C)n2)no1 ZINC000329685995 465406654 /nfs/dbraw/zinc/40/66/54/465406654.db2.gz AERBCVQOTFDRJC-LLVKDONJSA-N 0 0 347.423 2.909 40 0 EEABRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1C[C@H](O)C[C@@H]1CO ZINC000359543155 465444246 /nfs/dbraw/zinc/44/42/46/465444246.db2.gz BLJMZSVXIUZFEQ-FPQZTECRSA-N 0 0 330.211 2.051 40 0 EEABRN O=C(Cc1ccccc1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000299665598 465848656 /nfs/dbraw/zinc/84/86/56/465848656.db2.gz YWQXRTIJFVHXGA-UHFFFAOYSA-N 0 0 348.406 2.227 40 0 EEABRN CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306123406 466487328 /nfs/dbraw/zinc/48/73/28/466487328.db2.gz AMDQBYRJSJVXSH-KRWDZBQOSA-N 0 0 327.409 2.294 40 0 EEABRN Cc1nc(COC[C@@H]2CN(c3ncccn3)Cc3cncn32)cs1 ZINC000306126052 466489391 /nfs/dbraw/zinc/48/93/91/466489391.db2.gz DKSSZOLETZPFLL-HNNXBMFYSA-N 0 0 342.428 2.216 40 0 EEABRN O=C(C1CC1)N1C[C@H]2c3cc(-c4ccco4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306135013 466491852 /nfs/dbraw/zinc/49/18/52/466491852.db2.gz OEQXSJAZXOZQLH-WMLDXEAASA-N 0 0 343.404 2.438 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)o1 ZINC000306143368 466494016 /nfs/dbraw/zinc/49/40/16/466494016.db2.gz YAIMSROKSCNEPG-INIZCTEOSA-N 0 0 325.372 2.038 40 0 EEABRN CC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138220 466494089 /nfs/dbraw/zinc/49/40/89/466494089.db2.gz RSORUXARJPDXCG-QFBILLFUSA-N 0 0 344.459 2.038 40 0 EEABRN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cncc(F)c3)CC2)c1 ZINC000332377513 466533291 /nfs/dbraw/zinc/53/32/91/466533291.db2.gz NNKMAOJAOHUGJD-UHFFFAOYSA-N 0 0 349.431 2.348 40 0 EEABRN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)COc3ccccc3C)C2)n1 ZINC000390828037 467412569 /nfs/dbraw/zinc/41/25/69/467412569.db2.gz NUTINKIXGPLXOY-MRXNPFEDSA-N 0 0 341.411 2.461 40 0 EEABRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)CNC(N)=O ZINC000390833963 467414013 /nfs/dbraw/zinc/41/40/13/467414013.db2.gz PJPYWQFAWWCPSS-LIRRHRJNSA-N 0 0 337.423 2.260 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605595 468145661 /nfs/dbraw/zinc/14/56/61/468145661.db2.gz LJQSNBLBMUKNLI-ZDUSSCGKSA-N 0 0 349.822 2.082 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(CCc3ccc(OC)cc3)n2CC1 ZINC000601045381 468730013 /nfs/dbraw/zinc/73/00/13/468730013.db2.gz XDBOMPVAVMPTJJ-CQSZACIVSA-N 0 0 329.400 2.197 40 0 EEABRN O=C(CN1Cc2cccn2C[C@@H](CCOCC2CC2)C1)N1CCCC1 ZINC000585095108 468964694 /nfs/dbraw/zinc/96/46/94/468964694.db2.gz FUFYZWKEDFFSCD-SFHVURJKSA-N 0 0 345.487 2.359 40 0 EEABRN Cn1cnc2c1C[C@H](CNc1ncccn1)N(Cc1ccccc1)C2 ZINC000585094972 468964728 /nfs/dbraw/zinc/96/47/28/468964728.db2.gz XQKUZKBZGYDBTK-MRXNPFEDSA-N 0 0 334.427 2.249 40 0 EEABRN CNC(=O)C[C@H]1Cn2cccc2CN(C(=O)Cc2ccc(C)cc2)C1 ZINC000585099159 468967059 /nfs/dbraw/zinc/96/70/59/468967059.db2.gz QUPLXOPZRGHBCR-KRWDZBQOSA-N 0 0 339.439 2.134 40 0 EEABRN O=C(OC1CCCC1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000585109112 468973926 /nfs/dbraw/zinc/97/39/26/468973926.db2.gz WLBKKMQMQPSQQY-HOTGVXAUSA-N 0 0 329.400 2.336 40 0 EEABRN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000585110348 468974070 /nfs/dbraw/zinc/97/40/70/468974070.db2.gz IOZPLLISQLLMMZ-QGZVFWFLSA-N 0 0 325.412 2.491 40 0 EEABRN Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000585120204 468981707 /nfs/dbraw/zinc/98/17/07/468981707.db2.gz UQRLRJBZHLZLRT-BXUZGUMPSA-N 0 0 331.376 2.246 40 0 EEABRN Cc1ccsc1CCC(=O)N1CCN(c2cccnc2)C(=O)C1 ZINC000585150192 468994235 /nfs/dbraw/zinc/99/42/35/468994235.db2.gz JKCSNLLDTBFCSU-UHFFFAOYSA-N 0 0 329.425 2.260 40 0 EEABRN CCc1cnc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccc(C)cc3)C2)nc1 ZINC000585275520 468999128 /nfs/dbraw/zinc/99/91/28/468999128.db2.gz CCUHUISZICEVFB-QZTJIDSGSA-N 0 0 339.439 2.413 40 0 EEABRN O=C(COc1ccccc1)N1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585275576 468999736 /nfs/dbraw/zinc/99/97/36/468999736.db2.gz DDWGUPUGWDXKBY-LJQANCHMSA-N 0 0 345.370 2.247 40 0 EEABRN CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2nccn2C)C1 ZINC000585277180 469001709 /nfs/dbraw/zinc/00/17/09/469001709.db2.gz MWJWQOYGAQCBCL-GOSISDBHSA-N 0 0 347.390 2.259 40 0 EEABRN CCn1ccnc1CN1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585276912 469001739 /nfs/dbraw/zinc/00/17/39/469001739.db2.gz SQRAERBPEOUMDJ-IBGZPJMESA-N 0 0 345.443 2.199 40 0 EEABRN CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc(OC(C)C)cc1 ZINC000585278559 469004474 /nfs/dbraw/zinc/00/44/74/469004474.db2.gz OWYWWSPXJLIOHR-LJQANCHMSA-N 0 0 348.443 2.231 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585279969 469006182 /nfs/dbraw/zinc/00/61/82/469006182.db2.gz USELXORGIMNGHS-SJLPKXTDSA-N 0 0 327.428 2.021 40 0 EEABRN CO[C@H]1CN(C(=O)c2cccnc2N)CC[C@@H]1Cc1ccccc1 ZINC000585279422 469006329 /nfs/dbraw/zinc/00/63/29/469006329.db2.gz LXHRZTZAQYKJGC-WBVHZDCISA-N 0 0 325.412 2.384 40 0 EEABRN CCC(CC)(C(=O)[O-])C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000656852804 471864893 /nfs/dbraw/zinc/86/48/93/471864893.db2.gz KZSWZNRETHYYAQ-UHFFFAOYSA-N 0 0 325.434 2.440 40 0 EEABRN Cc1ccc(O)c(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)c1 ZINC000671630539 485958244 /nfs/dbraw/zinc/95/82/44/485958244.db2.gz DEHDUUOBAYEUAS-AWEZNQCLSA-N 0 0 326.400 2.474 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1C ZINC000223868653 490700199 /nfs/dbraw/zinc/70/01/99/490700199.db2.gz ARIHLFMJJPQQEH-UHFFFAOYSA-N 0 0 333.409 2.303 40 0 EEABRN C[C@@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1 ZINC000096461471 533960402 /nfs/dbraw/zinc/96/04/02/533960402.db2.gz NAGLPJATYGWFSO-NSHDSACASA-N 0 0 349.385 2.148 40 0 EEABRN FC(F)(F)c1cc(N(C[C@@H]2CCOC2)C2CC2)n2ncnc2n1 ZINC000184164557 534415341 /nfs/dbraw/zinc/41/53/41/534415341.db2.gz AWYOEKALKRJVMZ-VIFPVBQESA-N 0 0 327.310 2.148 40 0 EEABRN CC(C)(C)C(=O)N1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 ZINC000257265721 534432483 /nfs/dbraw/zinc/43/24/83/534432483.db2.gz MAAJLZMKLLWCES-UHFFFAOYSA-N 0 0 346.431 2.260 40 0 EEABRN CC(=O)N[C@H]1CCCN(C(=O)CNc2c(F)cccc2Cl)C1 ZINC000193104938 534656333 /nfs/dbraw/zinc/65/63/33/534656333.db2.gz VTMFYMPTEWHODQ-NSHDSACASA-N 0 0 327.787 2.018 40 0 EEABRN CCCn1cc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1 ZINC000181284529 528833220 /nfs/dbraw/zinc/83/32/20/528833220.db2.gz YBHMXBVZSYDSOW-UHFFFAOYSA-N 0 0 342.447 2.099 40 0 EEABRN COCCCNC(=S)Nc1nc(C)cc(N2CCCCCC2)n1 ZINC000225902149 536588307 /nfs/dbraw/zinc/58/83/07/536588307.db2.gz CHLXEYVHCMFUST-UHFFFAOYSA-N 0 0 337.493 2.488 40 0 EEABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]2(O)[C@@H]1COCCC1=O ZINC001740816610 1406109807 /nfs/dbraw/zinc/10/98/07/1406109807.db2.gz NIICJULXMQKIPG-FOIQADDNSA-N 0 0 341.407 2.330 40 0 EEABRN Cc1ccc2oc(N3CCN(CCO[C@@H]4CCOC4)CC3)nc2c1 ZINC000929539008 1410230267 /nfs/dbraw/zinc/23/02/67/1410230267.db2.gz FVENWGBOUUGREC-OAHLLOKOSA-N 0 0 331.416 2.064 40 0 EEABRN COc1nc(C)cc(C)c1CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001548448027 1110077012 /nfs/dbraw/zinc/07/70/12/1110077012.db2.gz GLPLGSSQVPPYDQ-UHFFFAOYSA-N 0 0 342.321 2.389 40 0 EEABRN Cc1ncc(C(=O)N2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)cn1 ZINC000257323669 282144306 /nfs/dbraw/zinc/14/43/06/282144306.db2.gz WLIUFNSIWTUFBD-UWWQBHOKSA-N 0 0 338.411 2.418 40 0 EEABRN CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000186251168 529512744 /nfs/dbraw/zinc/51/27/44/529512744.db2.gz SQNSGEIASWDCDJ-RYUDHWBXSA-N 0 0 345.365 2.354 40 0 EEABRN Cc1cc(C)n(-c2cc(SCC(=O)NC3CCCC3)ncn2)n1 ZINC000049404276 214005628 /nfs/dbraw/zinc/00/56/28/214005628.db2.gz LYHZYVBGOYHPNP-UHFFFAOYSA-N 0 0 331.445 2.430 40 0 EEABRN O=C1NCC[C@H]1Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000179050131 232706345 /nfs/dbraw/zinc/70/63/45/232706345.db2.gz QEQYECCWNDRLAR-GFCCVEGCSA-N 0 0 349.188 2.332 40 0 EEABRN CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC)cc1 ZINC000067896275 215244338 /nfs/dbraw/zinc/24/43/38/215244338.db2.gz IEOAPEJUCDYKFU-SJLPKXTDSA-N 0 0 348.443 2.342 40 0 biogenic,in-vitro EEABRN O=C(Nc1cccs1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609184 304010406 /nfs/dbraw/zinc/01/04/06/304010406.db2.gz OWNBAEIYLMVSFS-ZDUSSCGKSA-N 0 0 341.502 2.420 40 0 EEABRN Cc1nn(C)c2cnn([C@H](C)C(=O)NCCc3ccccc3F)c12 ZINC000041124225 213420879 /nfs/dbraw/zinc/42/08/79/213420879.db2.gz PZQOKSUNCOHGJG-GFCCVEGCSA-N 0 0 329.379 2.137 40 0 EEABRN CCc1nnc([C@@H]2CN(c3ncnc4ccc(F)cc43)CCO2)o1 ZINC000447804211 539962118 /nfs/dbraw/zinc/96/21/18/539962118.db2.gz DVYOLMXCIYNYGO-ZDUSSCGKSA-N 0 0 329.335 2.292 40 0 EEABRN COc1ccc(COCC(=O)Nc2cccc3c2OCC[C@H]3O)cn1 ZINC000585123590 539980715 /nfs/dbraw/zinc/98/07/15/539980715.db2.gz IANBVAUVFHWYLR-OAHLLOKOSA-N 0 0 344.367 2.061 40 0 EEABRN NC(=O)N1CCC2(CN(C(=O)c3ccco3)c3ccc(F)cc32)CC1 ZINC000096161050 283298434 /nfs/dbraw/zinc/29/84/34/283298434.db2.gz GEVQDUDLLUGRJI-UHFFFAOYSA-N 0 0 343.358 2.491 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1F ZINC000035327344 213022176 /nfs/dbraw/zinc/02/21/76/213022176.db2.gz CHMQRGIXKBAFJD-UHFFFAOYSA-N 0 0 342.779 2.396 40 0 EEABRN Cc1ccnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)c1 ZINC000072241562 216080630 /nfs/dbraw/zinc/08/06/30/216080630.db2.gz QHLGSPXNXCWPSJ-DLBZAZTESA-N 0 0 343.358 2.066 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072360023 216165421 /nfs/dbraw/zinc/16/54/21/216165421.db2.gz JKFADNIEVBWYKN-CQSZACIVSA-N 0 0 341.415 2.276 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072354742 216163573 /nfs/dbraw/zinc/16/35/73/216163573.db2.gz LBWBYFKHBQMWBF-CQSZACIVSA-N 0 0 330.363 2.175 40 0 EEABRN NC(=O)CN1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361811 216168914 /nfs/dbraw/zinc/16/89/14/216168914.db2.gz YZCHVLAYKFNDDC-LBPRGKRZSA-N 0 0 330.363 2.073 40 0 EEABRN Cc1cccnc1Nc1nc(C2CCN(CC(N)=O)CC2)cs1 ZINC000072367868 216174154 /nfs/dbraw/zinc/17/41/54/216174154.db2.gz FLFCJSCRYCQDCT-UHFFFAOYSA-N 0 0 331.445 2.255 40 0 EEABRN O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072384873 216185932 /nfs/dbraw/zinc/18/59/32/216185932.db2.gz WFRJNGPMPJEUFU-SNVBAGLBSA-N 0 0 327.310 2.031 40 0 EEABRN CNc1ccc(C[C@H]2CCCN(C(=O)c3cccc(C)n3)C2)nn1 ZINC000072387379 216186992 /nfs/dbraw/zinc/18/69/92/216186992.db2.gz VWSNLPIQZXOMFH-CQSZACIVSA-N 0 0 325.416 2.317 40 0 EEABRN Cn1nc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)c2nccnc21 ZINC000072393908 216192654 /nfs/dbraw/zinc/19/26/54/216192654.db2.gz YYJFGTPZCJYWOQ-UONOGXRCSA-N 0 0 325.416 2.426 40 0 EEABRN Cc1nc(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)oc1C ZINC000073026434 216341108 /nfs/dbraw/zinc/34/11/08/216341108.db2.gz NMQSFXOMQVFSLP-AWEZNQCLSA-N 0 0 348.447 2.272 40 0 EEABRN COc1c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c(C)nn1C ZINC000073205973 216363720 /nfs/dbraw/zinc/36/37/20/216363720.db2.gz KHTSEYBZXDGKPH-LBPRGKRZSA-N 0 0 339.399 2.414 40 0 EEABRN Cc1nnsc1C(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000191481654 239136175 /nfs/dbraw/zinc/13/61/75/239136175.db2.gz YYQNALZWGJEJBN-CYBMUJFWSA-N 0 0 331.376 2.239 40 0 EEABRN O=C(CN1CCCCCCC1=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074098599 216452897 /nfs/dbraw/zinc/45/28/97/216452897.db2.gz KVSYKCPXFUKLBO-QGZVFWFLSA-N 0 0 345.443 2.386 40 0 EEABRN Cc1c(Br)ccc(NS(=O)(=O)c2cnn(C)c2)c1F ZINC000193470130 240175701 /nfs/dbraw/zinc/17/57/01/240175701.db2.gz DJFSLVFHOWVWMB-UHFFFAOYSA-N 0 0 348.197 2.431 40 0 EEABRN CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275191 212287927 /nfs/dbraw/zinc/28/79/27/212287927.db2.gz JVDDSNCQZQBHQH-UHFFFAOYSA-N 0 0 332.425 2.245 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c(=O)c1 ZINC000194777183 240711719 /nfs/dbraw/zinc/71/17/19/240711719.db2.gz LEYMGRLUOMJQMB-NVXWUHKLSA-N 0 0 326.396 2.145 40 0 EEABRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1nnc2n1CCC2 ZINC000195531048 240985324 /nfs/dbraw/zinc/98/53/24/240985324.db2.gz BSEVPOUNXUFQEF-ILXRZTDVSA-N 0 0 334.464 2.257 40 0 EEABRN COc1ccc(S[C@H](C)C(=O)NC[C@H]2CCCO2)cc1OC ZINC000216295010 241181503 /nfs/dbraw/zinc/18/15/03/241181503.db2.gz ATCRWVGFUNUOST-VXGBXAGGSA-N 0 0 325.430 2.480 40 0 EEABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C ZINC000223001291 241590098 /nfs/dbraw/zinc/59/00/98/241590098.db2.gz NUZZWJHUNCJUNQ-HOTGVXAUSA-N 0 0 330.457 2.347 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000225503705 241903324 /nfs/dbraw/zinc/90/33/24/241903324.db2.gz NSXJVHUQXRTERX-LBPRGKRZSA-N 0 0 332.429 2.288 40 0 EEABRN O=C(c1ccccc1F)N1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000225791293 242038163 /nfs/dbraw/zinc/03/81/63/242038163.db2.gz JBTYULHPXXYPQX-UHFFFAOYSA-N 0 0 340.402 2.457 40 0 EEABRN CC(C)(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000226088174 242088669 /nfs/dbraw/zinc/08/86/69/242088669.db2.gz HVELKZIJMYTYAC-CQSZACIVSA-N 0 0 338.473 2.250 40 0 EEABRN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000230098029 242232244 /nfs/dbraw/zinc/23/22/44/242232244.db2.gz APYOBTXCNZGZHP-ZIAGYGMSSA-N 0 0 334.464 2.300 40 0 EEABRN O=C(NCCNC(=O)c1ccccc1)c1nc(C2CCCCC2)no1 ZINC000021452413 212224446 /nfs/dbraw/zinc/22/44/46/212224446.db2.gz MVWCBHHRQYMQEN-UHFFFAOYSA-N 0 0 342.399 2.277 40 0 EEABRN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000245312471 243103403 /nfs/dbraw/zinc/10/34/03/243103403.db2.gz JKPWCKDLGSDKQK-HFAKWTLXSA-N 0 0 327.421 2.246 40 0 EEABRN CCN(CC)C(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n(C)n1 ZINC000020606078 212153531 /nfs/dbraw/zinc/15/35/31/212153531.db2.gz ASDYREUTAFALMK-IHRRRGAJSA-N 0 0 334.464 2.457 40 0 EEABRN COC(=O)Cc1occc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000252509142 243835504 /nfs/dbraw/zinc/83/55/04/243835504.db2.gz YCZSKUGNGCLGBD-JTQLQIEISA-N 0 0 331.324 2.215 40 0 EEABRN CCc1ncnc(O[C@@H]2CCN(C(=O)c3csc(C)n3)C2)c1F ZINC000253473503 243998468 /nfs/dbraw/zinc/99/84/68/243998468.db2.gz VQIKYDKWHOHIDX-SNVBAGLBSA-N 0 0 336.392 2.237 40 0 EEABRN C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1CC1CCCC1 ZINC000253591709 244027696 /nfs/dbraw/zinc/02/76/96/244027696.db2.gz PPYHLZKAIVFJAH-HNNXBMFYSA-N 0 0 328.460 2.391 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2ccco2)C3)nc1 ZINC000253600516 244033465 /nfs/dbraw/zinc/03/34/65/244033465.db2.gz PSDLIHUDCGHDIE-OAHLLOKOSA-N 0 0 328.416 2.471 40 0 EEABRN Cn1ccc(C(=O)N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257204029 244126212 /nfs/dbraw/zinc/12/62/12/244126212.db2.gz ASTBEEBMMWQCAF-HKUYNNGSSA-N 0 0 341.411 2.011 40 0 EEABRN O=C(c1ccc(N2CCCC2)cc1)N1CCO[C@H](c2cnccn2)C1 ZINC000257211034 244149609 /nfs/dbraw/zinc/14/96/09/244149609.db2.gz BXGRFLKXJRUEJW-SFHVURJKSA-N 0 0 338.411 2.291 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)cc1F ZINC000257217050 244169556 /nfs/dbraw/zinc/16/95/56/244169556.db2.gz CXFKEENPCSAUAU-AWEZNQCLSA-N 0 0 331.347 2.236 40 0 EEABRN CC(C)C(=O)N1CCC(Cc2cc(Nc3ncccn3)ncn2)CC1 ZINC000257223923 244194897 /nfs/dbraw/zinc/19/48/97/244194897.db2.gz DZOCWUKIRORGRU-UHFFFAOYSA-N 0 0 340.431 2.447 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)n1 ZINC000257226761 244201667 /nfs/dbraw/zinc/20/16/67/244201667.db2.gz FMADZYDLZXRDQZ-HNNXBMFYSA-N 0 0 336.399 2.396 40 0 EEABRN CNc1cccc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257228011 244206532 /nfs/dbraw/zinc/20/65/32/244206532.db2.gz FRYRZDLLDHRONB-INIZCTEOSA-N 0 0 326.400 2.051 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257220111 244180901 /nfs/dbraw/zinc/18/09/01/244180901.db2.gz DJOMSSQAXYSHES-MRXNPFEDSA-N 0 0 341.411 2.108 40 0 EEABRN CCc1nccn1CCC(=O)N1CCC[C@@H]1c1cncc(NC)n1 ZINC000257234968 244227015 /nfs/dbraw/zinc/22/70/15/244227015.db2.gz GVUYIJSSKZDZHE-CQSZACIVSA-N 0 0 328.420 2.031 40 0 EEABRN Cc1nc(C)c(CC(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)s1 ZINC000257237974 244234433 /nfs/dbraw/zinc/23/44/33/244234433.db2.gz HJBMKVRRMRZIEQ-AWEZNQCLSA-N 0 0 346.456 2.309 40 0 EEABRN CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2ccc(C)s2)n1 ZINC000257241518 244244662 /nfs/dbraw/zinc/24/46/62/244244662.db2.gz HYHWNELLJOOQRJ-AWEZNQCLSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1nc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257247283 244260860 /nfs/dbraw/zinc/26/08/60/244260860.db2.gz IYHGZSOKINQLQJ-AWEZNQCLSA-N 0 0 333.413 2.085 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257259365 244293005 /nfs/dbraw/zinc/29/30/05/244293005.db2.gz KYAMRZNKMYJNJI-UHFFFAOYSA-N 0 0 341.371 2.060 40 0 EEABRN C[C@@]12CCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@@H]1CC[C@@H](O)C2 ZINC000257267185 244364839 /nfs/dbraw/zinc/36/48/39/244364839.db2.gz MGGUAICMKGMCIN-QKCSRTOESA-N 0 0 331.338 2.054 40 0 EEABRN CCn1c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2oc1=O ZINC000019936790 212088050 /nfs/dbraw/zinc/08/80/50/212088050.db2.gz ZFUOIQBYUBEEFH-UHFFFAOYSA-N 0 0 348.380 2.424 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937257 212087897 /nfs/dbraw/zinc/08/78/97/212087897.db2.gz IQCBBLGIIOPLNR-UHFFFAOYSA-N 0 0 335.319 2.418 40 0 EEABRN O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257278326 244397556 /nfs/dbraw/zinc/39/75/56/244397556.db2.gz OBURQUKAYLKOJO-RTBURBONSA-N 0 0 336.391 2.361 40 0 EEABRN NC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccccc3)CC2)ncn1 ZINC000257277273 244398088 /nfs/dbraw/zinc/39/80/88/244398088.db2.gz NXEBHYLAIDLBQJ-CQSZACIVSA-N 0 0 338.411 2.061 40 0 EEABRN COCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000257281086 244407837 /nfs/dbraw/zinc/40/78/37/244407837.db2.gz ONNUTUCKXBEUNN-QZTJIDSGSA-N 0 0 327.380 2.097 40 0 EEABRN Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)s1 ZINC000257295668 244449292 /nfs/dbraw/zinc/44/92/92/244449292.db2.gz QZJGADWYCIRPFI-GFCCVEGCSA-N 0 0 340.474 2.062 40 0 EEABRN COCCC(=O)N1CCC[C@@](C)(c2cn3cccc3c(N(C)C)n2)C1 ZINC000257321600 244520571 /nfs/dbraw/zinc/52/05/71/244520571.db2.gz WCIFUYCSOXQZBH-LJQANCHMSA-N 0 0 344.459 2.317 40 0 EEABRN Cc1cc(C)n(Cc2cccc(C(=O)NCCc3cnccn3)c2)n1 ZINC000019574519 212044869 /nfs/dbraw/zinc/04/48/69/212044869.db2.gz OQWDNIDYUWMRJX-UHFFFAOYSA-N 0 0 335.411 2.311 40 0 EEABRN COc1cccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 ZINC000019565470 212044412 /nfs/dbraw/zinc/04/44/12/212044412.db2.gz KUHPGRSRPUKDPE-UHFFFAOYSA-N 0 0 348.406 2.399 40 0 EEABRN Cc1nonc1C(=O)N1CCC[C@H](c2n[nH]cc2-c2ccncc2)C1 ZINC000019558742 212042429 /nfs/dbraw/zinc/04/24/29/212042429.db2.gz RPVCYEBVAZYPJF-ZDUSSCGKSA-N 0 0 338.371 2.183 40 0 EEABRN O=C([C@H]1[C@H]2[C@@H]1CC[C@]21CC(=O)c2ccccc2O1)N1CCC[C@H](O)C1 ZINC000072334249 296158448 /nfs/dbraw/zinc/15/84/48/296158448.db2.gz DSNPBMKSPWLAQN-UFSSQCERSA-N 0 0 341.407 2.030 40 0 EEABRN O=C(C1CCOCC1)N1CCC(c2cc3cnccc3c(=O)[nH]2)CC1 ZINC000019404611 212025377 /nfs/dbraw/zinc/02/53/77/212025377.db2.gz YFOLFZICLYYZDN-UHFFFAOYSA-N 0 0 341.411 2.056 40 0 EEABRN O=C(Nc1cccc2c[nH]nc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000078076172 217018181 /nfs/dbraw/zinc/01/81/81/217018181.db2.gz QUBNICKVOOQTAX-KRWDZBQOSA-N 0 0 336.395 2.402 40 0 EEABRN Cn1cc(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)ccc1=O ZINC000019290493 212011087 /nfs/dbraw/zinc/01/10/87/212011087.db2.gz JDNQXSGOEKODQO-UHFFFAOYSA-N 0 0 348.406 2.348 40 0 EEABRN CC(C)CCN1CN(N2CCN(C)CC2)Cn2c3ccccc3nc21 ZINC000019171520 212002741 /nfs/dbraw/zinc/00/27/41/212002741.db2.gz MBKGVQXEYHVURB-UHFFFAOYSA-N 0 0 342.491 2.282 40 0 EEABRN C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000078986170 217164889 /nfs/dbraw/zinc/16/48/89/217164889.db2.gz HEQXWSGGZKQSNF-BDAKNGLRSA-N 0 0 342.804 2.255 40 0 EEABRN CC(C)(CNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl ZINC000079041240 217179910 /nfs/dbraw/zinc/17/99/10/217179910.db2.gz LJBRTOQLTHBNJT-SNVBAGLBSA-N 0 0 347.839 2.308 40 0 EEABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000079052080 217182826 /nfs/dbraw/zinc/18/28/26/217182826.db2.gz VATVTTWVBQIQAV-UHFFFAOYSA-N 0 0 348.262 2.392 40 0 EEABRN CCOC(=O)C1(NC(=O)/C=C/c2cccnc2)Cc2ccccc2C1 ZINC000079333608 217209677 /nfs/dbraw/zinc/20/96/77/217209677.db2.gz KQVOFCBMDLEHIM-MDZDMXLPSA-N 0 0 336.391 2.312 40 0 EEABRN COCC1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000079361867 217216242 /nfs/dbraw/zinc/21/62/42/217216242.db2.gz CDVMSKTXEXSTIE-UHFFFAOYSA-N 0 0 348.184 2.118 40 0 EEABRN COCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1 ZINC000079771285 217252792 /nfs/dbraw/zinc/25/27/92/217252792.db2.gz NAKUHVCODVVTNC-UHFFFAOYSA-N 0 0 335.791 2.437 40 0 EEABRN C[S@](=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1 ZINC000080534153 217313192 /nfs/dbraw/zinc/31/31/92/217313192.db2.gz IQNJSSAJFVMBEZ-HSZRJFAPSA-N 0 0 326.381 2.257 40 0 EEABRN CC(=O)Nc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1 ZINC000080800013 217333497 /nfs/dbraw/zinc/33/34/97/217333497.db2.gz OZGALFPTXVSQDC-UHFFFAOYSA-N 0 0 348.424 2.140 40 0 EEABRN CN1CC[C@H](Nc2ccccc2CS(=O)(=O)c2ccccc2)C1=O ZINC000081157763 217365897 /nfs/dbraw/zinc/36/58/97/217365897.db2.gz HZXMSVZJZNJZBZ-KRWDZBQOSA-N 0 0 344.436 2.303 40 0 EEABRN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000081244179 217375001 /nfs/dbraw/zinc/37/50/01/217375001.db2.gz ZLZPEVZVGFQMQX-UHFFFAOYSA-N 0 0 343.431 2.157 40 0 EEABRN COc1cncc(N2CCN(C(=O)[C@H](C)c3ccc(C)s3)CC2)n1 ZINC000081413372 217393223 /nfs/dbraw/zinc/39/32/23/217393223.db2.gz DGVCOZZIZRFAMU-CYBMUJFWSA-N 0 0 346.456 2.307 40 0 EEABRN Cc1cc(NC(=O)COc2nnc3ccccn32)n(C(C)(C)C)n1 ZINC000085260168 217657125 /nfs/dbraw/zinc/65/71/25/217657125.db2.gz NHZYCYJALYOJIP-UHFFFAOYSA-N 0 0 328.376 2.007 40 0 EEABRN O=C(CC1CCCC1)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O ZINC000085467651 217669853 /nfs/dbraw/zinc/66/98/53/217669853.db2.gz OBSUDEIPNJMFNP-QGZVFWFLSA-N 0 0 347.434 2.459 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000085557126 217676575 /nfs/dbraw/zinc/67/65/75/217676575.db2.gz RJKZSJFRHQHHLX-UHFFFAOYSA-N 0 0 330.388 2.084 40 0 EEABRN CC[C@@H](C(=O)NC(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711839 211617750 /nfs/dbraw/zinc/61/77/50/211617750.db2.gz HHOSILQPQDLWBQ-ZDUSSCGKSA-N 0 0 332.853 2.409 40 0 EEABRN CC(C)COc1cncc(N2CCCN(c3ncccn3)CC2)n1 ZINC000086182294 217692119 /nfs/dbraw/zinc/69/21/19/217692119.db2.gz ZVONJPKXXYREFE-UHFFFAOYSA-N 0 0 328.420 2.018 40 0 EEABRN COCCN(C)S(=O)(=O)c1cc(Br)sc1C ZINC000088289080 217744893 /nfs/dbraw/zinc/74/48/93/217744893.db2.gz LHTLMZRSZMGZGV-UHFFFAOYSA-N 0 0 328.253 2.086 40 0 EEABRN CCCn1ncc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)c1C ZINC000012242228 211329737 /nfs/dbraw/zinc/32/97/37/211329737.db2.gz YMJLFLGBCIUYCI-UHFFFAOYSA-N 0 0 343.431 2.070 40 0 EEABRN O=C(Nc1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609165 217944385 /nfs/dbraw/zinc/94/43/85/217944385.db2.gz RPYQRBIJFXBIMM-INIZCTEOSA-N 0 0 335.473 2.358 40 0 EEABRN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(=O)[nH]n1 ZINC000012144744 211304902 /nfs/dbraw/zinc/30/49/02/211304902.db2.gz MSOSJDWKJDJLCS-AWEZNQCLSA-N 0 0 325.368 2.336 40 0 EEABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC000012114445 211292664 /nfs/dbraw/zinc/29/26/64/211292664.db2.gz NZTVSIQBTGKVCL-MVVMVCHASA-N 0 0 329.375 2.214 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)NC(C)(C)C)nc(C)n23)s1 ZINC000012115352 211294660 /nfs/dbraw/zinc/29/46/60/211294660.db2.gz UWCHFUHDQRVUIO-UHFFFAOYSA-N 0 0 332.429 2.242 40 0 EEABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O ZINC000012146726 211305647 /nfs/dbraw/zinc/30/56/47/211305647.db2.gz GPFRBIOSLPTCFE-RYUDHWBXSA-N 0 0 346.456 2.344 40 0 EEABRN COc1cccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)c1 ZINC000012114478 211292622 /nfs/dbraw/zinc/29/26/22/211292622.db2.gz JAGBBKBKXMHBGS-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN O=C(c1ccccn1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC000096055478 284715968 /nfs/dbraw/zinc/71/59/68/284715968.db2.gz LLCKFBJSGXELQI-BHYGNILZSA-N 0 0 339.395 2.175 40 0 EEABRN COc1ccccc1COC1CCN(C(=O)c2cnsn2)CC1 ZINC000091818663 218070947 /nfs/dbraw/zinc/07/09/47/218070947.db2.gz BOUKWTLZLUFOTK-UHFFFAOYSA-N 0 0 333.413 2.368 40 0 EEABRN COc1ccccc1NC(=O)NC1CCN(Cc2ccon2)CC1 ZINC000095405875 218340966 /nfs/dbraw/zinc/34/09/66/218340966.db2.gz LDFYKACWLYZZQH-UHFFFAOYSA-N 0 0 330.388 2.469 40 0 EEABRN O=C(NC[C@H](O)C1CCOCC1)NCC1(Cc2ccccc2)CCC1 ZINC000095411441 218348264 /nfs/dbraw/zinc/34/82/64/218348264.db2.gz ADIOUJOKILMECY-SFHVURJKSA-N 0 0 346.471 2.486 40 0 EEABRN Cn1c(Cn2nc(C(F)(F)F)ccc2=O)nnc1-c1ccccc1 ZINC000095437162 218380079 /nfs/dbraw/zinc/38/00/79/218380079.db2.gz FZPKCCDQHNMWFR-UHFFFAOYSA-N 0 0 335.289 2.106 40 0 EEABRN CCC([NH3+])(CC)CNS(=O)(=O)c1sccc1Br ZINC000095431209 218373902 /nfs/dbraw/zinc/37/39/02/218373902.db2.gz SZPFPNLWJAQPOH-UHFFFAOYSA-N 0 0 341.296 2.306 40 0 EEABRN CN(CC1(O)CCCC1)S(=O)(=O)Cc1cccc2cccnc21 ZINC000095448574 218393160 /nfs/dbraw/zinc/39/31/60/218393160.db2.gz AHKILMPBNHNDHH-UHFFFAOYSA-N 0 0 334.441 2.302 40 0 EEABRN O=C(NCc1cccnc1OCC(F)F)c1ccn2ccnc2c1 ZINC000095450728 218395649 /nfs/dbraw/zinc/39/56/49/218395649.db2.gz BJSCBQKSEPALKC-UHFFFAOYSA-N 0 0 332.310 2.303 40 0 EEABRN NC(=O)N1CC[C@H](NC(=O)c2ccccc2NCc2ccccc2)C1 ZINC000095451532 218395858 /nfs/dbraw/zinc/39/58/58/218395858.db2.gz OFUBUOIAINFBFI-HNNXBMFYSA-N 0 0 338.411 2.182 40 0 EEABRN COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096039043 218519835 /nfs/dbraw/zinc/51/98/35/218519835.db2.gz QRCSWIIKJRWRNV-PKOBYXMFSA-N 0 0 333.428 2.282 40 0 EEABRN O=C(c1ccnnc1)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 ZINC000096109194 218604086 /nfs/dbraw/zinc/60/40/86/218604086.db2.gz LXIJONAVHCAFKJ-MJGOQNOKSA-N 0 0 345.443 2.162 40 0 EEABRN O=C(c1cccnc1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161333 218637402 /nfs/dbraw/zinc/63/74/02/218637402.db2.gz KNSORVUMUCVDKV-KRWDZBQOSA-N 0 0 335.407 2.218 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 ZINC000096220613 218696816 /nfs/dbraw/zinc/69/68/16/218696816.db2.gz JXEYYKZCQNZLNF-ZDUSSCGKSA-N 0 0 328.372 2.248 40 0 EEABRN O=C(c1ccco1)N1C[C@@H]2C[C@H]1CN(C(=O)c1cccc(F)c1)C2 ZINC000096252267 218722070 /nfs/dbraw/zinc/72/20/70/218722070.db2.gz GUYNEQCCJIHKGE-DOMZBBRYSA-N 0 0 328.343 2.405 40 0 EEABRN Cc1cc(C(=O)Cn2cc(I)cn2)c(C)[nH]1 ZINC000096413715 218770309 /nfs/dbraw/zinc/77/03/09/218770309.db2.gz LHLIPZMHTDLSDC-UHFFFAOYSA-N 0 0 329.141 2.316 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCc2ccccc21 ZINC000268508324 251977493 /nfs/dbraw/zinc/97/74/93/251977493.db2.gz WYCNKSWLGSHQTI-HZPDHXFCSA-N 0 0 340.427 2.496 40 0 EEABRN CC(C)C(=O)NCCNC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000096415950 218776781 /nfs/dbraw/zinc/77/67/81/218776781.db2.gz QOFWASNDJATIOK-UHFFFAOYSA-N 0 0 326.828 2.300 40 0 EEABRN Cc1cnn(CCCNC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000096416960 218778236 /nfs/dbraw/zinc/77/82/36/218778236.db2.gz IBKWGPLMXKUVTR-UHFFFAOYSA-N 0 0 342.321 2.348 40 0 EEABRN COC[C@H](C)n1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000189921365 533015532 /nfs/dbraw/zinc/01/55/32/533015532.db2.gz LZOQDEBNOHKKHO-QWHCGFSZSA-N 0 0 332.408 2.225 40 0 EEABRN COCCc1nnc(SCc2cc(-c3ccccc3)no2)n1N ZINC000096430383 218803689 /nfs/dbraw/zinc/80/36/89/218803689.db2.gz VUIQAHVTUFSCQR-UHFFFAOYSA-N 0 0 331.401 2.128 40 0 EEABRN Cc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)no1 ZINC000096439453 218818880 /nfs/dbraw/zinc/81/88/80/218818880.db2.gz OTBHQRMGXCNMRW-MRXNPFEDSA-N 0 0 342.399 2.286 40 0 EEABRN C[C@](O)(CNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccsc1 ZINC000096450376 218833638 /nfs/dbraw/zinc/83/36/38/218833638.db2.gz YUOQCAZTDLUODX-RDJZCZTQSA-N 0 0 330.409 2.265 40 0 EEABRN C[C@@H](CNC(=O)[C@@H]1CCOC1)Oc1ccccc1Br ZINC000096451778 218835388 /nfs/dbraw/zinc/83/53/88/218835388.db2.gz GJWNIQKTNHXOIR-WDEREUQCSA-N 0 0 328.206 2.369 40 0 EEABRN CC(C)(NC(=O)NCC(C)(C)S(C)(=O)=O)c1cccc(F)c1 ZINC000096452403 218835575 /nfs/dbraw/zinc/83/55/75/218835575.db2.gz XHTKVZQANIXTSE-UHFFFAOYSA-N 0 0 330.425 2.183 40 0 EEABRN CNS(=O)(=O)c1ccc(NC[C@]2(C)CCCC[C@H]2O)c(F)c1 ZINC000096489937 218866937 /nfs/dbraw/zinc/86/69/37/218866937.db2.gz FTAWYNKMGGDAQO-CABCVRRESA-N 0 0 330.425 2.087 40 0 EEABRN CC(CO)(CO)NC(=O)Nc1cccc(-c2c(F)cccc2F)c1 ZINC000096490248 218868211 /nfs/dbraw/zinc/86/82/11/218868211.db2.gz YQANVMQNMKMRAV-UHFFFAOYSA-N 0 0 336.338 2.497 40 0 EEABRN COc1ccc(C(=O)NN2CC(=O)N(C(C)C)C2=O)c2ccccc12 ZINC000005018973 210363493 /nfs/dbraw/zinc/36/34/93/210363493.db2.gz NOBOGBRJECSVIZ-UHFFFAOYSA-N 0 0 341.367 2.166 40 0 EEABRN CN(c1nccn2cnnc12)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000097229184 218999588 /nfs/dbraw/zinc/99/95/88/218999588.db2.gz MDNBISCCTAPPEP-CYBMUJFWSA-N 0 0 342.790 2.019 40 0 EEABRN COCCC(=O)N1CCC(Nc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000097233424 219001200 /nfs/dbraw/zinc/00/12/00/219001200.db2.gz QEZOZQJNGGVVBJ-UHFFFAOYSA-N 0 0 344.415 2.484 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)NCCc1cn2ccccc2n1 ZINC000189652516 533146798 /nfs/dbraw/zinc/14/67/98/533146798.db2.gz VPKRXFPROPCKRW-ZDUSSCGKSA-N 0 0 339.399 2.341 40 0 EEABRN COc1cccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000409131480 257877552 /nfs/dbraw/zinc/87/75/52/257877552.db2.gz JDGKGOAAZXUUDQ-UHFFFAOYSA-N 0 0 334.397 2.343 40 0 EEABRN COc1ccc(CCNC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000009995422 533479733 /nfs/dbraw/zinc/47/97/33/533479733.db2.gz MZDFFLQENCBFMK-UHFFFAOYSA-N 0 0 346.814 2.324 40 0 EEABRN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)NN1C ZINC000005480845 135671712 /nfs/dbraw/zinc/67/17/12/135671712.db2.gz OOVUXMWDLLCRRA-GOSISDBHSA-N 0 0 338.367 2.273 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@@]12CCCO2 ZINC000332840827 286349650 /nfs/dbraw/zinc/34/96/50/286349650.db2.gz AMDJARHWSHQQHB-CUSZFKRNSA-N 0 0 348.447 2.373 40 0 EEABRN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)nn1 ZINC000189213797 160137690 /nfs/dbraw/zinc/13/76/90/160137690.db2.gz BTPGWRYXSCSRPQ-NSHDSACASA-N 0 0 349.385 2.320 40 0 EEABRN CCn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(cnc21)C(=O)CCC3 ZINC000022610568 276708933 /nfs/dbraw/zinc/70/89/33/276708933.db2.gz IDQZVWAFWFPUQW-UHFFFAOYSA-N 0 0 349.390 2.145 40 0 EEABRN CC(C)(C)OC(=O)C(=O)N1NC(C(F)(F)F)=C[C@]1(O)C(C)(C)C ZINC000005027609 278371016 /nfs/dbraw/zinc/37/10/16/278371016.db2.gz AKLJFUFCOZYHON-ZDUSSCGKSA-N 0 0 338.326 2.213 40 0 EEABRN C[C@H](C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1)n1cccn1 ZINC000079095350 279235178 /nfs/dbraw/zinc/23/51/78/279235178.db2.gz FMUGFKAEPCZWBZ-CYBMUJFWSA-N 0 0 341.415 2.172 40 0 EEABRN CC(C)OC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000252585316 279640628 /nfs/dbraw/zinc/64/06/28/279640628.db2.gz HSCYOJPAYHEMHB-XUWXXGDYSA-N 0 0 348.374 2.261 40 0 EEABRN CC(C)[C@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)n1cccc1 ZINC000257198823 280167543 /nfs/dbraw/zinc/16/75/43/280167543.db2.gz JEKIYDKFLZWHLL-FRQCXROJSA-N 0 0 339.439 2.493 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000408431182 295107513 /nfs/dbraw/zinc/10/75/13/295107513.db2.gz CUSXXADKNHMCPO-IHRRRGAJSA-N 0 0 327.446 2.174 40 0 EEABRN Cc1ncoc1C(=O)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257326461 302720574 /nfs/dbraw/zinc/72/05/74/302720574.db2.gz WXHSDGYFPFZDFJ-GFCCVEGCSA-N 0 0 327.344 2.099 40 0 EEABRN CN(c1cccnn1)C1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000329673540 311693830 /nfs/dbraw/zinc/69/38/30/311693830.db2.gz UZHDUHSIGDYTOU-UHFFFAOYSA-N 0 0 337.427 2.490 40 0 EEABRN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1C[C@@H](F)C[C@H]1CO ZINC000332136179 311955973 /nfs/dbraw/zinc/95/59/73/311955973.db2.gz LCMCDKRTLWIZKT-RYUDHWBXSA-N 0 0 337.782 2.379 40 0 EEABRN C[C@H]1CN(S(=O)(=O)c2ccn(C)n2)c2cc(Cl)ccc2O1 ZINC000333479412 312153553 /nfs/dbraw/zinc/15/35/53/312153553.db2.gz SJEDJKWNJAAITC-VIFPVBQESA-N 0 0 327.793 2.050 40 0 EEABRN CC(C)OC(=O)c1ccn(Cc2cnn(C)c2C(F)(F)F)c(=O)c1 ZINC000097376141 323322426 /nfs/dbraw/zinc/32/24/26/323322426.db2.gz WTQDRNIKKVBXAX-UHFFFAOYSA-N 0 0 343.305 2.214 40 0 EEABRN COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000195572570 323515331 /nfs/dbraw/zinc/51/53/31/323515331.db2.gz JKVXOSOORWDXDM-NWDGAFQWSA-N 0 0 345.447 2.432 40 0 EEABRN CN(CCn1cnnc1)C(=O)c1cccc(Br)c1Cl ZINC000096500101 463289812 /nfs/dbraw/zinc/28/98/12/463289812.db2.gz VPJASXVWRMRFLZ-UHFFFAOYSA-N 0 0 343.612 2.466 40 0 EEABRN Cc1cccc([C@@H](O)[C@](Cl)(Br)S(C)(=O)=O)c1 ZINC000096519786 463293514 /nfs/dbraw/zinc/29/35/14/463293514.db2.gz HJGQJEFVTVSBBN-NXEZZACHSA-N 0 0 327.627 2.361 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2OC)cc1 ZINC000358677893 465258578 /nfs/dbraw/zinc/25/85/78/465258578.db2.gz JENHAIPLFKWZGW-UHFFFAOYSA-N 0 0 328.368 2.349 40 0 EEABRN Cc1ccc(N2C[C@H](C(=O)NCCc3cccc(O)c3)CC2=O)cc1 ZINC000060210888 462540082 /nfs/dbraw/zinc/54/00/82/462540082.db2.gz ARYXTVUTMXPBKG-MRXNPFEDSA-N 0 0 338.407 2.412 40 0 EEABRN CC[C@H](CO)N1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000085584794 462554271 /nfs/dbraw/zinc/55/42/71/462554271.db2.gz KVOIKYBRDQYQBH-SNVBAGLBSA-N 0 0 331.338 2.024 40 0 EEABRN COc1ccc(-n2nnnc2SCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000000415614 462560451 /nfs/dbraw/zinc/56/04/51/462560451.db2.gz ZBADVIMDUILZNX-LBPRGKRZSA-N 0 0 347.444 2.164 40 0 EEABRN CCNC(=O)Cn1ccc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)n1 ZINC000086300142 462569299 /nfs/dbraw/zinc/56/92/99/462569299.db2.gz ZPYAWDUCUVGJOP-LBPRGKRZSA-N 0 0 345.403 2.370 40 0 EEABRN CC[C@H](C)C(=O)Nn1c(=O)c2cc(OC)c(OC)cc2nc1C1CC1 ZINC000001365141 462580625 /nfs/dbraw/zinc/58/06/25/462580625.db2.gz WPJZGWFFBYAEKU-JTQLQIEISA-N 0 0 345.399 2.407 40 0 EEABRN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1n1cnnc1 ZINC000003073000 462610378 /nfs/dbraw/zinc/61/03/78/462610378.db2.gz NZFKVLHDRMKJQL-UHFFFAOYSA-N 0 0 347.378 2.354 40 0 EEABRN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)NC1CCOCC1 ZINC000062369860 462615231 /nfs/dbraw/zinc/61/52/31/462615231.db2.gz LERLGKKEBUKPKY-UHFFFAOYSA-N 0 0 329.400 2.286 40 0 EEABRN CCCc1nnc(NC(=O)CNc2ccc(NC(C)=O)cc2)s1 ZINC000005261289 462653183 /nfs/dbraw/zinc/65/31/83/462653183.db2.gz MBWUHGUOOIPSMF-UHFFFAOYSA-N 0 0 333.417 2.500 40 0 EEABRN COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000006213991 462679917 /nfs/dbraw/zinc/67/99/17/462679917.db2.gz OIASENXECGZXRP-UHFFFAOYSA-N 0 0 348.424 2.172 40 0 EEABRN C=CCNC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000006295743 462681541 /nfs/dbraw/zinc/68/15/41/462681541.db2.gz PKOZWXODDVHNOU-ZHACJKMWSA-N 0 0 346.408 2.074 40 0 EEABRN O=C(NC[C@](O)(c1cccs1)C1CC1)[C@@H]1COc2ccccc2O1 ZINC000075155293 462686745 /nfs/dbraw/zinc/68/67/45/462686745.db2.gz ZGIDQMVAEXIQQL-MAUKXSAKSA-N 0 0 345.420 2.302 40 0 EEABRN CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1 ZINC000006679724 462695940 /nfs/dbraw/zinc/69/59/40/462695940.db2.gz ZMAIXAQWMNBBGS-SNVBAGLBSA-N 0 0 330.475 2.369 40 0 EEABRN CCOc1cc(Br)cc(/C=C2/NC(=O)N(C)C2=O)c1O ZINC000006958564 462713931 /nfs/dbraw/zinc/71/39/31/462713931.db2.gz ROUAVLUEDAPLSI-WEVVVXLNSA-N 0 0 341.161 2.076 40 0 EEABRN Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000075552472 462730280 /nfs/dbraw/zinc/73/02/80/462730280.db2.gz IYBHOICJHUWIEC-CQSZACIVSA-N 0 0 336.399 2.225 40 0 EEABRN Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)sc1C ZINC000091047225 462826181 /nfs/dbraw/zinc/82/61/81/462826181.db2.gz UDNNXRKYSCBMTN-CYBMUJFWSA-N 0 0 337.470 2.317 40 0 EEABRN CC[C@@H]1c2cccn2CCN1C(=O)c1cc(N2CCOCC2)ccn1 ZINC000132391044 462853487 /nfs/dbraw/zinc/85/34/87/462853487.db2.gz VHAOXULNDZKGJW-QGZVFWFLSA-N 0 0 340.427 2.327 40 0 EEABRN O=C(NCCc1cc2nc(-c3ccncc3)ccn2n1)c1ccco1 ZINC000013266377 462888668 /nfs/dbraw/zinc/88/86/68/462888668.db2.gz GFMKOTISZBUTDZ-UHFFFAOYSA-N 0 0 333.351 2.357 40 0 EEABRN CCOC(=O)Cn1cc(C(=O)C(=O)N(CC)CC)c2ccccc21 ZINC000014136048 462912047 /nfs/dbraw/zinc/91/20/47/462912047.db2.gz RBSBFRHGJVGCQG-UHFFFAOYSA-N 0 0 330.384 2.256 40 0 EEABRN CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016610177 462984506 /nfs/dbraw/zinc/98/45/06/462984506.db2.gz CLWJFIOFUWVIMD-AWEZNQCLSA-N 0 0 326.462 2.147 40 0 EEABRN CCOC(=O)[C@H]1Cc2c(=O)[nH]c(=S)[nH]c2O[C@H]1c1ccccc1 ZINC000017126509 462996124 /nfs/dbraw/zinc/99/61/24/462996124.db2.gz LIWQKHOSGMYYSE-JQWIXIFHSA-N 0 0 332.381 2.326 40 0 EEABRN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000077920758 463071255 /nfs/dbraw/zinc/07/12/55/463071255.db2.gz IOXQQLXCEVHLSD-MRXNPFEDSA-N 0 0 346.349 2.346 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCCc1ccc(Cl)cc1 ZINC000135020228 463107770 /nfs/dbraw/zinc/10/77/70/463107770.db2.gz YMANFOIBWISWOY-XJKSGUPXSA-N 0 0 340.851 2.454 40 0 EEABRN C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121335700 463118288 /nfs/dbraw/zinc/11/82/88/463118288.db2.gz JOZVETHWASRBNO-GXTWGEPZSA-N 0 0 344.438 2.285 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)no1 ZINC000096041738 463146136 /nfs/dbraw/zinc/14/61/36/463146136.db2.gz NSZUSVBFCLIYFE-RCCFBDPRSA-N 0 0 329.400 2.327 40 0 EEABRN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 ZINC000096041817 463146689 /nfs/dbraw/zinc/14/66/89/463146689.db2.gz OLOFLABSQQZWBL-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042173 463147809 /nfs/dbraw/zinc/14/78/09/463147809.db2.gz ZJBJJZAHBHCNKZ-OKZBNKHCSA-N 0 0 339.395 2.065 40 0 EEABRN c1csc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048343 463151887 /nfs/dbraw/zinc/15/18/87/463151887.db2.gz IIUIXBJWAOMLND-XJKSGUPXSA-N 0 0 331.445 2.169 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC000096048718 463153706 /nfs/dbraw/zinc/15/37/06/463153706.db2.gz ZXMYOILBILRXNX-SFHVURJKSA-N 0 0 340.383 2.037 40 0 EEABRN Fc1ccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cc1 ZINC000096052377 463157223 /nfs/dbraw/zinc/15/72/23/463157223.db2.gz XIXRRADDDFAVGQ-RBUKOAKNSA-N 0 0 345.418 2.472 40 0 EEABRN c1cc(COC[C@]23CCCO[C@@H]2CCN(c2ccncn2)C3)ccn1 ZINC000096065141 463163477 /nfs/dbraw/zinc/16/34/77/463163477.db2.gz PKAGMTBEMFIRIC-IEBWSBKVSA-N 0 0 340.427 2.464 40 0 EEABRN C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)[O-])C1 ZINC000096069128 463166298 /nfs/dbraw/zinc/16/62/98/463166298.db2.gz YZGFGAYFSBTBRX-HOTGVXAUSA-N 0 0 342.395 2.469 40 0 EEABRN CCOc1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C)n2)cc1C ZINC000096099366 463173332 /nfs/dbraw/zinc/17/33/32/463173332.db2.gz IKJFHKVEQDTVKR-UHFFFAOYSA-N 0 0 349.456 2.483 40 0 EEABRN Cc1cncc(C(=O)N2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC000096107655 463175483 /nfs/dbraw/zinc/17/54/83/463175483.db2.gz DIBPLAKUZVXOOQ-LPHOPBHVSA-N 0 0 339.395 2.238 40 0 EEABRN O=C(c1ccc(Cl)s1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122053 463182509 /nfs/dbraw/zinc/18/25/09/463182509.db2.gz YOXNYKQWKQLXEW-UHFFFAOYSA-N 0 0 345.829 2.434 40 0 EEABRN COCCNC(=O)c1c2ccccn2c2ncnc(NC(C)C)c21 ZINC000096146724 463186414 /nfs/dbraw/zinc/18/64/14/463186414.db2.gz GTMPHXKTOTUEME-UHFFFAOYSA-N 0 0 327.388 2.079 40 0 EEABRN O=C(N1CCCC1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096159779 463191064 /nfs/dbraw/zinc/19/10/64/463191064.db2.gz ANUJQCQCGFVFPE-IBGZPJMESA-N 0 0 345.418 2.466 40 0 EEABRN Cn1cnc(S(=O)(=O)N2CCC3(CCCc4ccccc43)CC2)c1 ZINC000096161263 463192468 /nfs/dbraw/zinc/19/24/68/463192468.db2.gz SYEZHIVNGWNSED-UHFFFAOYSA-N 0 0 345.468 2.479 40 0 EEABRN CCn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)c1cc(C)on1)C2 ZINC000096198113 463204355 /nfs/dbraw/zinc/20/43/55/463204355.db2.gz CMECWONOOGMQOQ-HNNXBMFYSA-N 0 0 344.415 2.366 40 0 EEABRN Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4cc(C)no4)CC[C@@H]23)n1 ZINC000096216876 463215417 /nfs/dbraw/zinc/21/54/17/463215417.db2.gz FUISGWHONUISCG-MGPQQGTHSA-N 0 0 347.440 2.468 40 0 EEABRN CC(C)C(=O)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 ZINC000096219821 463218137 /nfs/dbraw/zinc/21/81/37/463218137.db2.gz ODPIGMVHTSCNNP-ZDUSSCGKSA-N 0 0 327.388 2.171 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 ZINC000096227575 463221813 /nfs/dbraw/zinc/22/18/13/463221813.db2.gz HNBODMXUCBZOLL-VQIMIIECSA-N 0 0 327.428 2.127 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096227499 463222086 /nfs/dbraw/zinc/22/20/86/463222086.db2.gz LVWWUYIMVAGPLR-YLJYHZDGSA-N 0 0 335.407 2.250 40 0 EEABRN CN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096229709 463222965 /nfs/dbraw/zinc/22/29/65/463222965.db2.gz ADLAZHLSXKYFAT-GOSISDBHSA-N 0 0 330.384 2.032 40 0 EEABRN c1nc(CNc2ncccn2)c2n1CCCN(Cc1ccccn1)C2 ZINC000096259422 463229573 /nfs/dbraw/zinc/22/95/73/463229573.db2.gz GSGOTZMIQVHKGK-UHFFFAOYSA-N 0 0 335.415 2.086 40 0 EEABRN O=C(Cc1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1 ZINC000096259293 463229638 /nfs/dbraw/zinc/22/96/38/463229638.db2.gz MDFCWYXOYQTPEZ-UHFFFAOYSA-N 0 0 338.455 2.454 40 0 EEABRN CCOC(=O)C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000096321136 463235127 /nfs/dbraw/zinc/23/51/27/463235127.db2.gz UOEYKNPDPRQKCE-UHFFFAOYSA-N 0 0 329.393 2.130 40 0 EEABRN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@@H]1CCCC[C@H]1O ZINC000096404028 463237996 /nfs/dbraw/zinc/23/79/96/463237996.db2.gz HRWYEEPGYZXKHF-IAGOWNOFSA-N 0 0 345.443 2.306 40 0 EEABRN Cc1nnc(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[nH]1 ZINC000096404575 463239287 /nfs/dbraw/zinc/23/92/87/463239287.db2.gz FKPHVKMUFRDOAC-UHFFFAOYSA-N 0 0 334.445 2.298 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)CCOCC(F)(F)F)CC2)n1 ZINC000096408203 463241241 /nfs/dbraw/zinc/24/12/41/463241241.db2.gz WGNYQISHQWGTFV-UHFFFAOYSA-N 0 0 345.365 2.444 40 0 EEABRN CO[C@H](C(=O)NCCCNC(=O)c1occc1C)c1ccccc1 ZINC000096413986 463246386 /nfs/dbraw/zinc/24/63/86/463246386.db2.gz MGALHOWHVSLMFT-INIZCTEOSA-N 0 0 330.384 2.212 40 0 EEABRN CN(C)c1ccccc1NC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096415796 463248480 /nfs/dbraw/zinc/24/84/80/463248480.db2.gz BPTXQSKIRWNNMD-JTQLQIEISA-N 0 0 344.337 2.037 40 0 EEABRN Cc1cnn(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000096416697 463248979 /nfs/dbraw/zinc/24/89/79/463248979.db2.gz GLFXFIMSPBIMFF-OAHLLOKOSA-N 0 0 346.818 2.157 40 0 EEABRN NC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096420760 463252019 /nfs/dbraw/zinc/25/20/19/463252019.db2.gz AVVSNAYJBVXNLV-SDDRHHMPSA-N 0 0 342.317 2.165 40 0 EEABRN Cc1ccc(CNC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1C ZINC000096420612 463252056 /nfs/dbraw/zinc/25/20/56/463252056.db2.gz UDMIWHSGWDFIJZ-INIZCTEOSA-N 0 0 348.491 2.417 40 0 EEABRN NS(=O)(=O)c1ccc(NCCCn2cccn2)c(C(F)(F)F)c1 ZINC000096426893 463256015 /nfs/dbraw/zinc/25/60/15/463256015.db2.gz BBDZYJXMWVRHKY-UHFFFAOYSA-N 0 0 348.350 2.052 40 0 EEABRN O=C(CNC(=O)c1cc2ccccc2[nH]1)N(Cc1cccnc1)C1CC1 ZINC000096430535 463260097 /nfs/dbraw/zinc/26/00/97/463260097.db2.gz CRSPBMNXXCMWOX-UHFFFAOYSA-N 0 0 348.406 2.484 40 0 EEABRN C[C@@H](CNC(=O)c1cnn(C)c1)Oc1cccc(Br)c1 ZINC000096431869 463261435 /nfs/dbraw/zinc/26/14/35/463261435.db2.gz FVCCSGZZVCNVIS-JTQLQIEISA-N 0 0 338.205 2.380 40 0 EEABRN Cn1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000096434422 463262392 /nfs/dbraw/zinc/26/23/92/463262392.db2.gz LJLKGUIAIBWPIO-LBPRGKRZSA-N 0 0 347.806 2.391 40 0 EEABRN CC(C)Cn1cc(NC(=O)N2CCN(Cc3ccncc3)CC2)cn1 ZINC000096435519 463263151 /nfs/dbraw/zinc/26/31/51/463263151.db2.gz DUHACOWFFLXXHV-UHFFFAOYSA-N 0 0 342.447 2.284 40 0 EEABRN CC[C@H]1CN(C(=O)NCc2ccc(-n3cccn3)nc2)CCS1 ZINC000096437678 463266163 /nfs/dbraw/zinc/26/61/63/463266163.db2.gz ODGHMDAJMKNNBA-AWEZNQCLSA-N 0 0 331.445 2.304 40 0 EEABRN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000096444727 463269734 /nfs/dbraw/zinc/26/97/34/463269734.db2.gz XIUMHXGJDJOWEC-MRXNPFEDSA-N 0 0 328.478 2.007 40 0 EEABRN Cc1c(N[C@@H]2CCCN(C(C)C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000096449369 463271963 /nfs/dbraw/zinc/27/19/63/463271963.db2.gz QAINOBZZAVJJTH-MRXNPFEDSA-N 0 0 342.443 2.296 40 0 EEABRN NS(=O)(=O)c1cnc(N(Cc2ccco2)Cc2ccco2)s1 ZINC000096453347 463274174 /nfs/dbraw/zinc/27/41/74/463274174.db2.gz FEFTVSFTFAWAHN-UHFFFAOYSA-N 0 0 339.398 2.183 40 0 EEABRN C[C@H]1CN(C(=O)CNC(=O)c2ccsc2)[C@H](c2ccccc2)CO1 ZINC000096461456 463277083 /nfs/dbraw/zinc/27/70/83/463277083.db2.gz MUFUHDZYTONLTB-BBRMVZONSA-N 0 0 344.436 2.467 40 0 EEABRN CC[C@H](C)S(=O)(=O)NCc1cn2cc(Br)ccc2n1 ZINC000096472474 463279024 /nfs/dbraw/zinc/27/90/24/463279024.db2.gz YCBMSZRZDPJOQB-VIFPVBQESA-N 0 0 346.250 2.315 40 0 EEABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1cccc(N)c1 ZINC000096519863 463294126 /nfs/dbraw/zinc/29/41/26/463294126.db2.gz ZJKLLPACRHSMQJ-NXEZZACHSA-N 0 0 342.642 2.024 40 0 EEABRN C[C@@H]1CN(C(=O)CNC(=O)c2c(F)cccc2Cl)C(C)(C)CO1 ZINC000097095704 463321899 /nfs/dbraw/zinc/32/18/99/463321899.db2.gz UTAQWJYSKSFWSU-SNVBAGLBSA-N 0 0 342.798 2.235 40 0 EEABRN CCc1onc(C)c1C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000097097341 463323112 /nfs/dbraw/zinc/32/31/12/463323112.db2.gz KKTLTWFIDNTQOP-SNVBAGLBSA-N 0 0 347.337 2.076 40 0 EEABRN CN1CCc2ccc(NC(=O)NCCCNC(=O)C3CCC3)cc21 ZINC000097100051 463324199 /nfs/dbraw/zinc/32/41/99/463324199.db2.gz BVXALCLQYYQZRJ-UHFFFAOYSA-N 0 0 330.432 2.107 40 0 EEABRN CN(c1nccn2cnnc12)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000097229186 463350764 /nfs/dbraw/zinc/35/07/64/463350764.db2.gz MDNBISCCTAPPEP-ZDUSSCGKSA-N 0 0 342.790 2.019 40 0 EEABRN Cc1cc2ncn(C[C@H](O)CSc3cccc[n+]3[O-])c2cc1C ZINC000071948359 463477184 /nfs/dbraw/zinc/47/71/84/463477184.db2.gz RVIUNPPRFCBHCD-AWEZNQCLSA-N 0 0 329.425 2.440 40 0 EEABRN CCn1nc(C)c2nc(C)nc(N(C)Cc3c(C)nn(C)c3C)c21 ZINC000057312552 463477786 /nfs/dbraw/zinc/47/77/86/463477786.db2.gz JVFHWAOOPKRVJV-UHFFFAOYSA-N 0 0 327.436 2.450 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F ZINC000057355072 463480560 /nfs/dbraw/zinc/48/05/60/463480560.db2.gz RRYIBSQQDUEECS-PBHICJAKSA-N 0 0 336.407 2.278 40 0 EEABRN C[C@@H]1CN(C(=O)CCN2c3ccccc3C(C)(C)C2=O)C[C@H](C)O1 ZINC000057355672 463480624 /nfs/dbraw/zinc/48/06/24/463480624.db2.gz FTQJWBMNQPADIP-OKILXGFUSA-N 0 0 330.428 2.337 40 0 EEABRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccn(-c2ccccc2F)n1 ZINC000081706981 463482171 /nfs/dbraw/zinc/48/21/71/463482171.db2.gz SOZPMNQTKDDPDY-ROUUACIJSA-N 0 0 337.354 2.400 40 0 EEABRN O=C(c1cccs1)N1CCN(c2ccc(-n3cnnc3)cc2)CC1 ZINC000072228505 463483587 /nfs/dbraw/zinc/48/35/87/463483587.db2.gz ICRSITMUVZVGPS-UHFFFAOYSA-N 0 0 339.424 2.291 40 0 EEABRN CC(=O)N1CCN(c2cc(C)c([C@H](O)c3ccccc3)cn2)CC1 ZINC000072223735 463484142 /nfs/dbraw/zinc/48/41/42/463484142.db2.gz DUUSQWZFBJVSRA-LJQANCHMSA-N 0 0 325.412 2.140 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c(C)o1 ZINC000081756669 463488185 /nfs/dbraw/zinc/48/81/85/463488185.db2.gz BUCNCNQUNVOURM-QFYYESIMSA-N 0 0 348.424 2.159 40 0 EEABRN COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(OC)c1 ZINC000041624193 463498574 /nfs/dbraw/zinc/49/85/74/463498574.db2.gz CJWCFCJZCQSCLW-KBRIMQKVSA-N 0 0 346.427 2.440 40 0 EEABRN Cc1cc2c(o1)c1cnn(CC(=O)NCC3CC3)c(=O)c1n2C(C)C ZINC000057731207 463514412 /nfs/dbraw/zinc/51/44/12/463514412.db2.gz FKGJFDQBDULDEK-UHFFFAOYSA-N 0 0 342.399 2.360 40 0 EEABRN COc1cc(/C=C/C(=O)Nc2ccc[nH]c2=O)cc(OC)c1OC ZINC000058141989 463542677 /nfs/dbraw/zinc/54/26/77/463542677.db2.gz GYJCZYLNIYZGAG-VOTSOKGWSA-N 0 0 330.340 2.053 40 0 EEABRN O=C(NCCS(=O)(=O)Nc1ccccc1)c1cc2ccccn2c1 ZINC000072848886 463553986 /nfs/dbraw/zinc/55/39/86/463553986.db2.gz BFFSCCMBZUUBOL-UHFFFAOYSA-N 0 0 343.408 2.111 40 0 EEABRN CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000058300818 463574083 /nfs/dbraw/zinc/57/40/83/463574083.db2.gz GOWKESYXFAPLOV-UHFFFAOYSA-N 0 0 340.489 2.140 40 0 EEABRN CC(=O)N1CCc2sc(C(=O)Cn3c(C)csc3=O)cc2C1 ZINC000163274216 463576746 /nfs/dbraw/zinc/57/67/46/463576746.db2.gz YVNZUXIWEBQWOL-UHFFFAOYSA-N 0 0 336.438 2.067 40 0 EEABRN O=C(NCCc1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000042646299 463582688 /nfs/dbraw/zinc/58/26/88/463582688.db2.gz RQWWGPVOQFBXPP-UHFFFAOYSA-N 0 0 337.301 2.398 40 0 EEABRN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)s1 ZINC000084528289 463610425 /nfs/dbraw/zinc/61/04/25/463610425.db2.gz OJAMXCGAONXMIZ-UHFFFAOYSA-N 0 0 342.442 2.138 40 0 EEABRN COCCn1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)cn1 ZINC000059256912 463641041 /nfs/dbraw/zinc/64/10/41/463641041.db2.gz PCTJVPCSBJTYBI-UHFFFAOYSA-N 0 0 345.399 2.261 40 0 EEABRN CC(C)c1cccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c1 ZINC000044376196 463677464 /nfs/dbraw/zinc/67/74/64/463677464.db2.gz GIDIGOXEKBVBOL-INIZCTEOSA-N 0 0 340.427 2.176 40 0 EEABRN CCOc1ccc(CC(=O)N2CCN(CC(F)(F)F)CC2)cc1 ZINC000044448609 463678906 /nfs/dbraw/zinc/67/89/06/463678906.db2.gz IVWWFXBXYZLWAX-UHFFFAOYSA-N 0 0 330.350 2.334 40 0 EEABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(C(=O)OC)CC1 ZINC000044845271 463695639 /nfs/dbraw/zinc/69/56/39/463695639.db2.gz WKARACPVSRLMIX-MRXNPFEDSA-N 0 0 335.400 2.264 40 0 EEABRN COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cnn(C)c1)CC2 ZINC000044873331 463697525 /nfs/dbraw/zinc/69/75/25/463697525.db2.gz VSKZXSZMLOYHGD-SNAWJCMRSA-N 0 0 327.384 2.035 40 0 EEABRN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCc3sccc3C2)C1=O ZINC000044894714 463698920 /nfs/dbraw/zinc/69/89/20/463698920.db2.gz GDMYCHVSFWJUAG-LBPRGKRZSA-N 0 0 342.420 2.447 40 0 EEABRN O=C(c1cc(-c2cccs2)on1)N1CCN(c2ncccn2)CC1 ZINC000044893606 463699053 /nfs/dbraw/zinc/69/90/53/463699053.db2.gz MIAOXNRKXVQAHU-UHFFFAOYSA-N 0 0 341.396 2.156 40 0 EEABRN Cc1sc2ncn(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)c2c1C ZINC000044895747 463699709 /nfs/dbraw/zinc/69/97/09/463699709.db2.gz KJQMBNKLESPKKC-QWRGUYRKSA-N 0 0 349.456 2.101 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)n2cc(COc3ccccc3)nn2)n(C)n1 ZINC000257173603 463756861 /nfs/dbraw/zinc/75/68/61/463756861.db2.gz SBGOMXPYTMBTFI-ZDUSSCGKSA-N 0 0 340.387 2.099 40 0 EEABRN O=C(Cc1cccs1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257288622 463762890 /nfs/dbraw/zinc/76/28/90/463762890.db2.gz PUZKWAVDIPRZCA-BFYDXBDKSA-N 0 0 332.425 2.163 40 0 EEABRN Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)n1 ZINC000257288846 463763026 /nfs/dbraw/zinc/76/30/26/463763026.db2.gz PVYSHVMZUIWQNP-SECBINFHSA-N 0 0 327.310 2.100 40 0 EEABRN CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC(=O)[O-])cc2)n1 ZINC000257291004 463765005 /nfs/dbraw/zinc/76/50/05/463765005.db2.gz QFELSIHQXFAKKK-INIZCTEOSA-N 0 0 342.399 2.319 40 0 EEABRN Cc1nc(C(=O)N2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)co1 ZINC000257298189 463766696 /nfs/dbraw/zinc/76/66/96/463766696.db2.gz RKNXYJFYILKGAV-CQSZACIVSA-N 0 0 343.431 2.324 40 0 EEABRN Cc1cccc(Nc2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1 ZINC000257298719 463767127 /nfs/dbraw/zinc/76/71/27/463767127.db2.gz RMZLSXAJEGURCC-ZDUSSCGKSA-N 0 0 347.444 2.063 40 0 EEABRN c1cc(CN2CCC[C@H](c3nccnc3Nc3cnccn3)C2)n[nH]1 ZINC000257309206 463771639 /nfs/dbraw/zinc/77/16/39/463771639.db2.gz TZYOFWGTGSLCCN-ZDUSSCGKSA-N 0 0 336.403 2.113 40 0 EEABRN Cc1ncoc1C(=O)N1CCC[C@H]1c1nc(C)ncc1CN(C)C ZINC000257312596 463773779 /nfs/dbraw/zinc/77/37/79/463773779.db2.gz UOSQYXLDMCPDBB-AWEZNQCLSA-N 0 0 329.404 2.120 40 0 EEABRN CCn1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 ZINC000257315510 463775376 /nfs/dbraw/zinc/77/53/76/463775376.db2.gz VBSMASPFHVCTND-SJLPKXTDSA-N 0 0 347.390 2.087 40 0 EEABRN Cc1nc([C@@H]2CN(CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321303 463776504 /nfs/dbraw/zinc/77/65/04/463776504.db2.gz WBBKNCXRKKTPPX-INIZCTEOSA-N 0 0 333.363 2.082 40 0 EEABRN Cc1ncccc1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 ZINC000257322979 463778360 /nfs/dbraw/zinc/77/83/60/463778360.db2.gz WIHCWDPANUNMNW-KRWDZBQOSA-N 0 0 325.416 2.219 40 0 EEABRN CCc1noc(CCC(=O)N2CCC[C@@H](c3cncc(C)n3)C2)n1 ZINC000257335805 463782673 /nfs/dbraw/zinc/78/26/73/463782673.db2.gz YLYONECLJIHSPG-CYBMUJFWSA-N 0 0 329.404 2.069 40 0 EEABRN Cn1c(CN2CCC[C@@H](Cc3nccnc3N)C2)nc2ccccc21 ZINC000257339623 463785490 /nfs/dbraw/zinc/78/54/90/463785490.db2.gz ZCNTUUUXXLDJLP-AWEZNQCLSA-N 0 0 336.443 2.400 40 0 EEABRN O=C(CN1CSCC1=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000194263311 463824049 /nfs/dbraw/zinc/82/40/49/463824049.db2.gz ZCVCSSUKZCLYMZ-UHFFFAOYSA-N 0 0 345.399 2.287 40 0 EEABRN O=C([C@@H]1Cc2ccccc2O1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194614638 463896219 /nfs/dbraw/zinc/89/62/19/463896219.db2.gz LLSIFGOWGUHCJY-WMZOPIPTSA-N 0 0 336.391 2.080 40 0 EEABRN C[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000195546923 464074963 /nfs/dbraw/zinc/07/49/63/464074963.db2.gz VNNWVKPUVLPSAK-FZQKWOKYSA-N 0 0 330.787 2.379 40 0 EEABRN O=S(=O)(C1=Cc2ccccc2OC1)N1CCC[C@@H](n2cccn2)C1 ZINC000195578778 464080791 /nfs/dbraw/zinc/08/07/91/464080791.db2.gz UBVTVJUBWOLLJF-OAHLLOKOSA-N 0 0 345.424 2.283 40 0 EEABRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000223203126 464137819 /nfs/dbraw/zinc/13/78/19/464137819.db2.gz YCTCHCUVGBICJM-CQSZACIVSA-N 0 0 327.428 2.474 40 0 EEABRN COc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1 ZINC000223318426 464140685 /nfs/dbraw/zinc/14/06/85/464140685.db2.gz PEDKCKZNUBSVKJ-UHFFFAOYSA-N 0 0 334.353 2.239 40 0 EEABRN COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 ZINC000223318503 464140914 /nfs/dbraw/zinc/14/09/14/464140914.db2.gz IWVALDLBNPNOMR-UHFFFAOYSA-N 0 0 334.353 2.239 40 0 EEABRN Cc1c(F)cccc1NC(=O)NCc1nccc(N2CCOCC2)n1 ZINC000224171913 464148432 /nfs/dbraw/zinc/14/84/32/464148432.db2.gz MXRGSDGHIMDQCS-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN CCC(C)(C)NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000224089061 464148819 /nfs/dbraw/zinc/14/88/19/464148819.db2.gz SDAFXIRUYAHJOF-UHFFFAOYSA-N 0 0 326.462 2.061 40 0 EEABRN CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccccc1 ZINC000224441672 464151472 /nfs/dbraw/zinc/15/14/72/464151472.db2.gz SCKYWTZQGLLXRL-UHFFFAOYSA-N 0 0 332.425 2.257 40 0 EEABRN Cc1cccc(C)c1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O ZINC000225193030 464154063 /nfs/dbraw/zinc/15/40/63/464154063.db2.gz SZEIDFBTEKLMPT-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN COc1ccc(Cl)cc1C(=O)N1CC[C@H](Oc2cccnn2)C1 ZINC000225410734 464158336 /nfs/dbraw/zinc/15/83/36/464158336.db2.gz VTEKRWPRIYLYMK-LBPRGKRZSA-N 0 0 333.775 2.432 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2)nn1 ZINC000225428443 464160004 /nfs/dbraw/zinc/16/00/04/464160004.db2.gz ICBPJIXCODYZGL-CQSZACIVSA-N 0 0 333.338 2.286 40 0 EEABRN Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)nn1 ZINC000225466384 464162703 /nfs/dbraw/zinc/16/27/03/464162703.db2.gz QARMMJOASOTQCW-GFCCVEGCSA-N 0 0 339.442 2.079 40 0 EEABRN CO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC[C@H]1C ZINC000225487052 464165431 /nfs/dbraw/zinc/16/54/31/464165431.db2.gz OFXAQSVELNXKOC-CKEIUWERSA-N 0 0 343.431 2.395 40 0 EEABRN CCS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000225516952 464167989 /nfs/dbraw/zinc/16/79/89/464167989.db2.gz PPDMIFQSBDOLGT-UHFFFAOYSA-N 0 0 348.424 2.036 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 ZINC000225553673 464171289 /nfs/dbraw/zinc/17/12/89/464171289.db2.gz PQTUZIOAWWWLDN-MLGOLLRUSA-N 0 0 342.399 2.030 40 0 EEABRN CC[C@H](C(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1)c1ccccc1 ZINC000225559422 464171743 /nfs/dbraw/zinc/17/17/43/464171743.db2.gz WQTNQFOPMKPVFC-HNNXBMFYSA-N 0 0 340.427 2.408 40 0 EEABRN CC[C@@H](O)CCNC(=O)CNc1ccc(Br)cc1C ZINC000225562661 464172580 /nfs/dbraw/zinc/17/25/80/464172580.db2.gz CGKQFOLSTHCQNP-GFCCVEGCSA-N 0 0 329.238 2.447 40 0 EEABRN CN(CC(=O)Nc1cccc(Cl)c1)c1cc(=O)n2ccccc2n1 ZINC000225599122 464175169 /nfs/dbraw/zinc/17/51/69/464175169.db2.gz ABLHGOQBRRRQMK-UHFFFAOYSA-N 0 0 342.786 2.423 40 0 EEABRN COc1cc(C)n(CCNC(=O)Cc2ccccc2Cl)c(=O)c1 ZINC000225614536 464176431 /nfs/dbraw/zinc/17/64/31/464176431.db2.gz MTLBIYAJFJXKKV-UHFFFAOYSA-N 0 0 334.803 2.178 40 0 EEABRN CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225694916 464180270 /nfs/dbraw/zinc/18/02/70/464180270.db2.gz GRIQQTVJXLHVBC-LBPRGKRZSA-N 0 0 336.457 2.453 40 0 EEABRN Cc1ccc(C(=O)N2CC[C@@H](c3noc(C(F)(F)F)n3)C2)cn1 ZINC000238972807 464441364 /nfs/dbraw/zinc/44/13/64/464441364.db2.gz ZOMLPJMHLPRCEY-SNVBAGLBSA-N 0 0 326.278 2.422 40 0 EEABRN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)co1 ZINC000240333226 464446608 /nfs/dbraw/zinc/44/66/08/464446608.db2.gz FCJRRPSVNRJWFA-INIZCTEOSA-N 0 0 326.396 2.409 40 0 EEABRN COc1cc(C)cc(NC(=O)N2CCOC[C@@H]2c2nc[nH]n2)c1C ZINC000241277619 464451779 /nfs/dbraw/zinc/45/17/79/464451779.db2.gz LHRBMLHOWRICTQ-CYBMUJFWSA-N 0 0 331.376 2.036 40 0 EEABRN O=C(Nc1cccnc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000189337910 464478687 /nfs/dbraw/zinc/47/86/87/464478687.db2.gz BGOVAGAYLAZOFD-UHFFFAOYSA-N 0 0 328.347 2.398 40 0 EEABRN O=C(C1CC=CC1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 ZINC000247822728 464707454 /nfs/dbraw/zinc/70/74/54/464707454.db2.gz IBZZDJARHQQRDP-MRXNPFEDSA-N 0 0 328.412 2.434 40 0 EEABRN Cc1ncsc1CN1CCn2cc(CC(=O)NC(C)C)nc2[C@@H]1C ZINC000248012831 464722640 /nfs/dbraw/zinc/72/26/40/464722640.db2.gz GRRGTEOKCFWUHX-ZDUSSCGKSA-N 0 0 347.488 2.292 40 0 EEABRN CC(=O)N1CC[C@H](CN(C)[C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000249260891 464855125 /nfs/dbraw/zinc/85/51/25/464855125.db2.gz HYIPMQVWSZQCKB-DZGCQCFKSA-N 0 0 334.468 2.040 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)o1 ZINC000192291698 464900264 /nfs/dbraw/zinc/90/02/64/464900264.db2.gz IIEOMMNYAYYPCF-HNNXBMFYSA-N 0 0 327.384 2.131 40 0 EEABRN C[C@@H]1CN(C(=O)COc2ccc(-c3cnn(C)c3)cc2)C[C@@H](C)O1 ZINC000252484099 464962099 /nfs/dbraw/zinc/96/20/99/464962099.db2.gz FOUAWWVSCJVURT-ZIAGYGMSSA-N 0 0 329.400 2.102 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000252510133 464975422 /nfs/dbraw/zinc/97/54/22/464975422.db2.gz ZCANFORBTDLODC-CQSZACIVSA-N 0 0 336.457 2.309 40 0 EEABRN COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000252511149 464976715 /nfs/dbraw/zinc/97/67/15/464976715.db2.gz ZUZVVVOIVHWDLB-XHSDSOJGSA-N 0 0 333.432 2.152 40 0 EEABRN CN1CC[C@@H](Nc2cnc(C(N)=O)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252537255 464981854 /nfs/dbraw/zinc/98/18/54/464981854.db2.gz KUJUIBKCKQBQGK-IUODEOHRSA-N 0 0 349.797 2.225 40 0 EEABRN COC(=O)[C@@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(C)c1 ZINC000192787122 464997226 /nfs/dbraw/zinc/99/72/26/464997226.db2.gz DDPDUBQXCJAJIZ-CVEARBPZSA-N 0 0 336.407 2.337 40 0 EEABRN COc1ccccc1CNC(=O)c1cccnc1O[C@@H]1CCOC1 ZINC000253399535 465001640 /nfs/dbraw/zinc/00/16/40/465001640.db2.gz JQQUXCYUZQPFJB-CQSZACIVSA-N 0 0 328.368 2.188 40 0 EEABRN COc1cc2c(c(OC)c1OC)CCN(Cc1nnc(C)o1)CC2 ZINC000253420266 465009066 /nfs/dbraw/zinc/00/90/66/465009066.db2.gz VJIFCENZBCBPDW-UHFFFAOYSA-N 0 0 333.388 2.005 40 0 EEABRN CC(C)Cc1nsc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000253429216 465012376 /nfs/dbraw/zinc/01/23/76/465012376.db2.gz QBSPNLDHENOQRH-LLVKDONJSA-N 0 0 334.449 2.078 40 0 EEABRN COC(=O)c1nc([C@@H]2CCCN2c2nccn3cnnc23)sc1C ZINC000253431429 465014342 /nfs/dbraw/zinc/01/43/42/465014342.db2.gz RUNCJIPCGSRJLR-JTQLQIEISA-N 0 0 344.400 2.017 40 0 EEABRN Cc1ccc(CO)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000253433500 465015287 /nfs/dbraw/zinc/01/52/87/465015287.db2.gz XQCXXUZIOJKRBY-IBGZPJMESA-N 0 0 340.423 2.327 40 0 EEABRN CCc1ncnc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)c1F ZINC000253473502 465015938 /nfs/dbraw/zinc/01/59/38/465015938.db2.gz VQIKYDKWHOHIDX-JTQLQIEISA-N 0 0 336.392 2.237 40 0 EEABRN Cc1ccccc1CC(=O)N1C[C@H]2[C@H](C1)c1ccccc1S2(=O)=O ZINC000306144866 466496318 /nfs/dbraw/zinc/49/63/18/466496318.db2.gz ZQXPZAHLORJWNR-AEFFLSMTSA-N 0 0 341.432 2.319 40 0 EEABRN O=C1CCC(=O)N1c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000408722778 466682160 /nfs/dbraw/zinc/68/21/60/466682160.db2.gz WYVPJVSQMWSKMA-UHFFFAOYSA-N 0 0 330.365 2.141 40 0 EEABRN O=C(Cc1ccsc1)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000390830101 467412574 /nfs/dbraw/zinc/41/25/74/467412574.db2.gz ISGGHPKYAIEBHH-SNVBAGLBSA-N 0 0 344.362 2.323 40 0 EEABRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)S(=O)[C@@H](C)C3)cc2)n1 ZINC000408341480 467546243 /nfs/dbraw/zinc/54/62/43/467546243.db2.gz RINYMZAQJZDDSO-GJZGRUSLSA-N 0 0 345.468 2.471 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575405670 468141601 /nfs/dbraw/zinc/14/16/01/468141601.db2.gz ZHFYQCUEKLAZIR-VHDGCEQUSA-N 0 0 325.474 2.172 40 0 EEABRN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583482010 468703681 /nfs/dbraw/zinc/70/36/81/468703681.db2.gz JNGUUKCWJNQPFJ-ZACQAIPSSA-N 0 0 340.427 2.097 40 0 EEABRN CCN1CC[C@]2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093091 468962139 /nfs/dbraw/zinc/96/21/39/468962139.db2.gz BPABGEVYQRRLDP-KRWDZBQOSA-N 0 0 338.398 2.259 40 0 EEABRN COCC[C@@H]1Cn2cccc2CN(C(=O)c2cccnc2OC)C1 ZINC000585095588 468964716 /nfs/dbraw/zinc/96/47/16/468964716.db2.gz ZGRBXNJZZSFYBL-CQSZACIVSA-N 0 0 329.400 2.200 40 0 EEABRN CC1CC(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@@H]2C)C1 ZINC000585097084 468965506 /nfs/dbraw/zinc/96/55/06/468965506.db2.gz FLTBEVFMTGZTCT-OWYJLGKBSA-N 0 0 332.448 2.024 40 0 EEABRN c1cc2n(n1)CC[C@@H](COc1cccnc1)N(CC1=CCCOC1)C2 ZINC000585097137 468965540 /nfs/dbraw/zinc/96/55/40/468965540.db2.gz HSEOVVNNUCVXQO-SFHVURJKSA-N 0 0 340.427 2.278 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)cn1 ZINC000585105360 468971907 /nfs/dbraw/zinc/97/19/07/468971907.db2.gz UZJQSUKWZZYYQL-INIZCTEOSA-N 0 0 328.416 2.110 40 0 EEABRN Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ccnc(F)c4)CC3)O2)n1 ZINC000585113501 468976593 /nfs/dbraw/zinc/97/65/93/468976593.db2.gz SEAHZZPQXCGYBB-ZDUSSCGKSA-N 0 0 346.362 2.439 40 0 EEABRN O=C(Nc1cccc(Cc2nn[nH]n2)c1)N[C@H](C1CC1)C(F)(F)F ZINC000585141336 468990724 /nfs/dbraw/zinc/99/07/24/468990724.db2.gz SWXMNHLVUYSRAB-GFCCVEGCSA-N 0 0 340.309 2.253 40 0 EEABRN Cc1cnccc1CN1CCOC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585268938 468997853 /nfs/dbraw/zinc/99/78/53/468997853.db2.gz DZHDSVOYPHMFRG-LJQANCHMSA-N 0 0 346.402 2.171 40 0 EEABRN Cc1ncc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)c(C)n1 ZINC000585275535 468998962 /nfs/dbraw/zinc/99/89/62/468998962.db2.gz CJICJQWNUQSNKK-ROUUACIJSA-N 0 0 343.402 2.441 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)[C@H]1CCC(N)=O ZINC000585279782 469005760 /nfs/dbraw/zinc/00/57/60/469005760.db2.gz YIQGHBQGUQIBGM-IRXDYDNUSA-N 0 0 341.411 2.120 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585280157 469006576 /nfs/dbraw/zinc/00/65/76/469006576.db2.gz YOXCQWSAHKBJTQ-PBHICJAKSA-N 0 0 332.375 2.198 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3cccnn3)[C@H]2O)cc1 ZINC000585283379 469008722 /nfs/dbraw/zinc/00/87/22/469008722.db2.gz AHOQYOKFVHCRCZ-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN Cc1cccc(O[C@@H](C)c2nnc3n2CCS(=O)(=O)CC3)c1C ZINC000630950882 470035470 /nfs/dbraw/zinc/03/54/70/470035470.db2.gz GUYKHXOJRFXDNF-ZDUSSCGKSA-N 0 0 335.429 2.006 40 0 EEABRN CC[N@@H+](Cc1ncccc1C(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000652391707 471285125 /nfs/dbraw/zinc/28/51/25/471285125.db2.gz HAXKVDBVCNKMTD-ZDUSSCGKSA-N 0 0 328.368 2.442 40 0 EEABRN CC1CCC(N2C[C@H](C(=O)NCC(=O)c3cccs3)CC2=O)CC1 ZINC000126847488 490659301 /nfs/dbraw/zinc/65/93/01/490659301.db2.gz QVKORMGIZYKHTE-ROKHWSDSSA-N 0 0 348.468 2.474 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000194287088 500593775 /nfs/dbraw/zinc/59/37/75/500593775.db2.gz GLOVKUJOFNVQBJ-AWEZNQCLSA-N 0 0 333.413 2.181 40 0 EEABRN C[C@@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)[C@H]1CO ZINC000190492408 533964727 /nfs/dbraw/zinc/96/47/27/533964727.db2.gz OFVBWJFIXVEECI-OCCSQVGLSA-N 0 0 337.489 2.367 40 0 EEABRN COC(=O)c1ccc(N2CCN(Cc3ccc(CO)o3)[C@@H](C)C2)cc1 ZINC000092659830 534188682 /nfs/dbraw/zinc/18/86/82/534188682.db2.gz MKHGJBXIBBKSPD-AWEZNQCLSA-N 0 0 344.411 2.269 40 0 EEABRN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cccc(C)c3)C2)no1 ZINC000171430400 534410119 /nfs/dbraw/zinc/41/01/19/534410119.db2.gz IMQVDPQJQIMGKW-AWEZNQCLSA-N 0 0 335.429 2.330 40 0 EEABRN CC[C@H](NC(=O)NCc1cccc(N(C)C)n1)c1c(C)nn(C)c1C ZINC000096484435 522455290 /nfs/dbraw/zinc/45/52/90/522455290.db2.gz CFPNXMVRGWIZFI-HNNXBMFYSA-N 0 0 344.463 2.448 40 0 EEABRN CCOC(=O)c1cnc(C(C)=Cc2ccc3c(c2)CCO3)[nH]c1=O ZINC000191479790 528285361 /nfs/dbraw/zinc/28/53/61/528285361.db2.gz NYMHNTIAFOPKNA-DHZHZOJOSA-N 0 0 326.352 2.442 40 0 EEABRN Nc1nc(N)c(S(=O)(=O)c2ccccc2)c(NC2CCCCC2)n1 ZINC000006677874 534973081 /nfs/dbraw/zinc/97/30/81/534973081.db2.gz OBFMDOGJJSRSHQ-UHFFFAOYSA-N 0 0 347.444 2.218 40 0 EEABRN CC[C@H](O)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338742 535971771 /nfs/dbraw/zinc/97/17/71/535971771.db2.gz OGOTZCSWJSVETQ-RCBQFDQVSA-N 0 0 341.402 2.170 40 0 EEABRN CCn1cc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)cn1 ZINC000249685264 536050430 /nfs/dbraw/zinc/05/04/30/536050430.db2.gz FRRCUPGNYLZVCI-SFHVURJKSA-N 0 0 349.475 2.080 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000257242559 536421727 /nfs/dbraw/zinc/42/17/27/536421727.db2.gz IDCPGIJDWBUNKS-CQSZACIVSA-N 0 0 340.383 2.267 40 0 EEABRN COc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1F ZINC000257207621 536728606 /nfs/dbraw/zinc/72/86/06/536728606.db2.gz BINCAODHOCNQSY-HNNXBMFYSA-N 0 0 345.374 2.098 40 0 EEABRN COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c(OC)c1 ZINC000225925512 536755338 /nfs/dbraw/zinc/75/53/38/536755338.db2.gz JRRMAXLZPDYIPA-UHFFFAOYSA-N 0 0 332.400 2.291 40 0 EEABRN COCCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@@H]2C)n1 ZINC000225899792 536892427 /nfs/dbraw/zinc/89/24/27/536892427.db2.gz MNYPKHNOMPJJHC-JTQLQIEISA-N 0 0 343.884 2.442 40 0 EEABRN Cc1cnc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c(C)c1 ZINC000899503134 693767829 /nfs/dbraw/zinc/76/78/29/693767829.db2.gz GQZRKHPHKOFSIM-UHFFFAOYSA-N 0 0 333.335 2.425 40 0 EEABRN CSc1nnc(NC(=O)CCC(=O)N2CCC[C@@H](C)C2)s1 ZINC000027913144 1352373513 /nfs/dbraw/zinc/37/35/13/1352373513.db2.gz DXIODQWYEDTFQC-SECBINFHSA-N 0 0 328.463 2.237 40 0 EEABRN Cc1[nH]c2ccc(C)cc2c1CC(=O)NCCCN1CCOCC1 ZINC000048383815 1352619620 /nfs/dbraw/zinc/61/96/20/1352619620.db2.gz QFRYVADVQRZUHN-UHFFFAOYSA-N 0 0 329.444 2.166 40 0 EEABRN Cc1cc(C)n(C[C@@H]2CN(Cc3nc(C(C)C)ns3)CCO2)n1 ZINC000929575796 1410233495 /nfs/dbraw/zinc/23/34/95/1410233495.db2.gz OOIFEWLMDATFIQ-AWEZNQCLSA-N 0 0 335.477 2.376 40 0 EEABRN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000051161134 214081292 /nfs/dbraw/zinc/08/12/92/214081292.db2.gz CYZDHQLPZQMWRN-OAHLLOKOSA-N 0 0 338.473 2.230 40 0 EEABRN O=C(N[C@H]1CCc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 ZINC000053476973 214185367 /nfs/dbraw/zinc/18/53/67/214185367.db2.gz DLDVOWGVJNBEHV-ROUUACIJSA-N 0 0 333.395 2.261 40 0 EEABRN CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000054670544 214250194 /nfs/dbraw/zinc/25/01/94/214250194.db2.gz QYMOGLCVDJOXPU-GFCCVEGCSA-N 0 0 346.305 2.161 40 0 EEABRN CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000054864733 214257737 /nfs/dbraw/zinc/25/77/37/214257737.db2.gz MSBVUEXGDGSPFR-CYBMUJFWSA-N 0 0 340.445 2.225 40 0 EEABRN CN1CCN(C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000056290902 214368548 /nfs/dbraw/zinc/36/85/48/214368548.db2.gz KBUVBXOGFCIFRK-UHFFFAOYSA-N 0 0 341.386 2.466 40 0 EEABRN Cc1ccc(/C=C\C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)o1 ZINC000098013173 219068555 /nfs/dbraw/zinc/06/85/55/219068555.db2.gz SZXQEWJORWRQAO-PBARLCFESA-N 0 0 325.430 2.415 40 0 EEABRN Cc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)on1 ZINC000058648425 214599909 /nfs/dbraw/zinc/59/99/09/214599909.db2.gz JWSLJCOZDMLYBV-CYBMUJFWSA-N 0 0 329.404 2.321 40 0 EEABRN Cc1ccc(CNC(=O)C2CCOCC2)c(OC[C@H]2CCOC2)c1 ZINC000087459987 539367264 /nfs/dbraw/zinc/36/72/64/539367264.db2.gz FZFXSCKXWMLXMF-HNNXBMFYSA-N 0 0 333.428 2.453 40 0 EEABRN Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(N)=O ZINC000102986484 219246035 /nfs/dbraw/zinc/24/60/35/219246035.db2.gz AJPLHGQVYQXUJH-UHFFFAOYSA-N 0 0 337.788 2.476 40 0 EEABRN CC(C)C[C@H](CC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1)C(N)=O ZINC000068605613 215322603 /nfs/dbraw/zinc/32/26/03/215322603.db2.gz WHYMJIDTOTUHLB-MLGOLLRUSA-N 0 0 327.428 2.289 40 0 EEABRN CCN(CC)C(=O)COc1ccc(C(=O)OC)cc1Br ZINC000040049837 213255484 /nfs/dbraw/zinc/25/54/84/213255484.db2.gz MQVYGIYJCWCRRA-UHFFFAOYSA-N 0 0 344.205 2.483 40 0 EEABRN COC(=O)CSc1nnc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000000904321 209694308 /nfs/dbraw/zinc/69/43/08/209694308.db2.gz CAUBZUHYYZRLGD-CYBMUJFWSA-N 0 0 333.413 2.389 40 0 EEABRN CC(C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000801522 209687930 /nfs/dbraw/zinc/68/79/30/209687930.db2.gz MWGWWYDTWSGWPL-CQSZACIVSA-N 0 0 344.864 2.265 40 0 EEABRN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1 ZINC000038589971 213216550 /nfs/dbraw/zinc/21/65/50/213216550.db2.gz XVBMPLSZRRHPOJ-UHFFFAOYSA-N 0 0 344.846 2.287 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000187011587 236094200 /nfs/dbraw/zinc/09/42/00/236094200.db2.gz XASFRJLMXDOEHE-GFCCVEGCSA-N 0 0 344.502 2.460 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)NC2CCCCC2)c(C)c1 ZINC000036105530 236909992 /nfs/dbraw/zinc/90/99/92/236909992.db2.gz XJZSZGMXCPUQOP-UHFFFAOYSA-N 0 0 338.473 2.339 40 0 EEABRN Cc1cccc([C@@H](C)CNC(=O)NCCc2nnc3n2CCC3)c1 ZINC000096461468 237061311 /nfs/dbraw/zinc/06/13/11/237061311.db2.gz VHZNNQIIUMEDBR-AWEZNQCLSA-N 0 0 327.432 2.178 40 0 EEABRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000072264746 216085834 /nfs/dbraw/zinc/08/58/34/216085834.db2.gz ZHINGCPDTNFXMD-STQMWFEESA-N 0 0 336.457 2.262 40 0 EEABRN Cc1cccc(C(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCC3)c1 ZINC000072325028 216151182 /nfs/dbraw/zinc/15/11/82/216151182.db2.gz MSNJNSWOALTAFC-AWEZNQCLSA-N 0 0 325.412 2.249 40 0 EEABRN Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072360000 216165519 /nfs/dbraw/zinc/16/55/19/216165519.db2.gz AXSLPNYGWRIFBI-ZDUSSCGKSA-N 0 0 347.444 2.063 40 0 EEABRN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072360327 216166543 /nfs/dbraw/zinc/16/65/43/216166543.db2.gz JZGRYTHYUDZIKG-AWEZNQCLSA-N 0 0 334.387 2.450 40 0 EEABRN COCC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 ZINC000072346035 216159470 /nfs/dbraw/zinc/15/94/70/216159470.db2.gz QYMHJNGJNUGKHW-CYBMUJFWSA-N 0 0 344.390 2.217 40 0 EEABRN Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccncc2)n1 ZINC000072378547 216180942 /nfs/dbraw/zinc/18/09/42/216180942.db2.gz VTLYLBZUSADAJI-KRWDZBQOSA-N 0 0 348.410 2.272 40 0 EEABRN CC(=O)N1CC[C@@H]1c1cc(NCCc2nc(C)cs2)nc(C)n1 ZINC000072387096 216185519 /nfs/dbraw/zinc/18/55/19/216185519.db2.gz UBFRAQOHYPUZTP-CQSZACIVSA-N 0 0 331.445 2.498 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(c3ncccn3)C2)n1 ZINC000072382752 216182889 /nfs/dbraw/zinc/18/28/89/216182889.db2.gz FQRPJTGXXHQQMX-CYBMUJFWSA-N 0 0 334.387 2.103 40 0 EEABRN Cc1csc(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(C)on2)n1 ZINC000072531067 216269094 /nfs/dbraw/zinc/26/90/94/216269094.db2.gz VGWUUTVPUOGXCY-AWEZNQCLSA-N 0 0 335.429 2.498 40 0 EEABRN COc1c(C)cnc(CN2CCNC(=O)[C@@H]2c2cccs2)c1C ZINC000072799964 216308573 /nfs/dbraw/zinc/30/85/73/216308573.db2.gz YFRSOPBANIOCQR-HNNXBMFYSA-N 0 0 331.441 2.442 40 0 EEABRN O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NC1CCCCC1 ZINC000072900173 216326232 /nfs/dbraw/zinc/32/62/32/216326232.db2.gz ZUOIVEFAUDFQKE-UHFFFAOYSA-N 0 0 339.443 2.210 40 0 EEABRN CCc1nnc(SCc2ccc(N)cc2Br)n1N ZINC000073639572 216404290 /nfs/dbraw/zinc/40/42/90/216404290.db2.gz LWQCANHGJLRNAB-UHFFFAOYSA-N 0 0 328.239 2.191 40 0 EEABRN CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000024842616 212444061 /nfs/dbraw/zinc/44/40/61/212444061.db2.gz FFHKVFNBXQGNQH-UHFFFAOYSA-N 0 0 346.452 2.356 40 0 EEABRN COC(=O)c1ccc(CS(=O)(=O)N2CCCC(C)(C)C2)cc1 ZINC000022533877 212305588 /nfs/dbraw/zinc/30/55/88/212305588.db2.gz FPLSVVVLDQRBDL-UHFFFAOYSA-N 0 0 325.430 2.425 40 0 EEABRN CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 ZINC000195546975 240996441 /nfs/dbraw/zinc/99/64/41/240996441.db2.gz RIAYZDSSOJMGGO-ZDUSSCGKSA-N 0 0 349.456 2.112 40 0 EEABRN O=S(=O)(Cc1ccccc1)NCc1nccc(N2CCCCC2)n1 ZINC000211095875 241079159 /nfs/dbraw/zinc/07/91/59/241079159.db2.gz HNJVAWXDSJPGKA-UHFFFAOYSA-N 0 0 346.456 2.087 40 0 EEABRN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 ZINC000218409391 241319231 /nfs/dbraw/zinc/31/92/31/241319231.db2.gz XEEJTCFSMZNRGX-MSOLQXFVSA-N 0 0 346.448 2.160 40 0 EEABRN O=C(NCC[C@@H](O)C1CCOCC1)c1cc(-c2ccccc2)on1 ZINC000217918951 241283816 /nfs/dbraw/zinc/28/38/16/241283816.db2.gz KVEKWJFZEDRDDK-MRXNPFEDSA-N 0 0 330.384 2.249 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000223878192 241702253 /nfs/dbraw/zinc/70/22/53/241702253.db2.gz BUMLIORFWPXAMF-GFCCVEGCSA-N 0 0 344.502 2.334 40 0 EEABRN O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCC12OCCO2 ZINC000225802766 242043610 /nfs/dbraw/zinc/04/36/10/242043610.db2.gz HLYXGBBNOOJVQL-OAHLLOKOSA-N 0 0 342.399 2.003 40 0 EEABRN Cc1ccc(CN(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 ZINC000225818478 242050227 /nfs/dbraw/zinc/05/02/27/242050227.db2.gz OIVTWARECXQBFP-UHFFFAOYSA-N 0 0 332.425 2.395 40 0 EEABRN CCS(=O)(=O)N(C)c1cccc(C(=O)NCCCOC(C)C)c1 ZINC000225968452 242084345 /nfs/dbraw/zinc/08/43/45/242084345.db2.gz KSZCDUOEYGLWJP-UHFFFAOYSA-N 0 0 342.461 2.017 40 0 EEABRN O=C(c1ccno1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225728282 242007403 /nfs/dbraw/zinc/00/74/03/242007403.db2.gz JQTCWNXQZATGLD-JTQLQIEISA-N 0 0 327.262 2.382 40 0 EEABRN Cc1ccc2nc(O)c(C(=O)NCc3ccc(Cl)cc3)c(=O)n2c1 ZINC000226822288 242115353 /nfs/dbraw/zinc/11/53/53/242115353.db2.gz BHNWQURIDAAKND-UHFFFAOYSA-N 0 0 343.770 2.292 40 0 EEABRN Cc1cccnc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000021596202 212233903 /nfs/dbraw/zinc/23/39/03/212233903.db2.gz CWPWVMIIHGKNLH-UHFFFAOYSA-N 0 0 329.381 2.288 40 0 EEABRN CC(=O)N1CCCc2ccc(S(=O)(=O)N(C)Cc3ccc[nH]3)cc21 ZINC000242389323 243020335 /nfs/dbraw/zinc/02/03/35/243020335.db2.gz ZWGGWVGINZXLEI-UHFFFAOYSA-N 0 0 347.440 2.135 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@@H](C)Cn2cccn2)c1 ZINC000252497245 243815718 /nfs/dbraw/zinc/81/57/18/243815718.db2.gz QCDZLWMZDKKIDQ-WBVHZDCISA-N 0 0 330.432 2.169 40 0 EEABRN CCO[C@H]1CSC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000253383473 243885458 /nfs/dbraw/zinc/88/54/58/243885458.db2.gz LRTFOCVDYOAWKA-CQSZACIVSA-N 0 0 341.498 2.187 40 0 EEABRN O=C(Cn1cccn1)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257205957 244132953 /nfs/dbraw/zinc/13/29/53/244132953.db2.gz BBGCRZUFHTYHFD-XKQJLSEDSA-N 0 0 329.375 2.338 40 0 EEABRN CNCc1nc(C)c2c(n1)N(CCOc1ccccc1C)C(=O)CC2 ZINC000257207240 244138007 /nfs/dbraw/zinc/13/80/07/244138007.db2.gz BGYZQSKFXJWKPW-UHFFFAOYSA-N 0 0 340.427 2.171 40 0 EEABRN CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccsc2)CC1 ZINC000257200380 244118292 /nfs/dbraw/zinc/11/82/92/244118292.db2.gz ADAJONTZXOOGCK-UHFFFAOYSA-N 0 0 344.440 2.194 40 0 EEABRN Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257208552 244142799 /nfs/dbraw/zinc/14/27/99/244142799.db2.gz BMQDGKQZMMYLRW-HKUYNNGSSA-N 0 0 343.427 2.013 40 0 EEABRN C[C@]1(O)CCN(C(=O)Cc2cccnc2)C[C@@H]1Oc1ccccc1 ZINC000257210434 244149055 /nfs/dbraw/zinc/14/90/55/244149055.db2.gz BUORLBPNXOOZJB-HKUYNNGSSA-N 0 0 326.396 2.055 40 0 EEABRN C[C@]1(COc2cccnc2)C[C@@H]2CN(c3ncccn3)CC[C@@H]2O1 ZINC000257212448 244152032 /nfs/dbraw/zinc/15/20/32/244152032.db2.gz CDLIZYJKOSARDB-UWWQBHOKSA-N 0 0 326.400 2.325 40 0 EEABRN CC(=O)N1CCN(C(=O)CCn2ccc(C)n2)C[C@H]1c1ccccc1 ZINC000257222605 244189131 /nfs/dbraw/zinc/18/91/31/244189131.db2.gz DTZAUVAVXLHDPY-SFHVURJKSA-N 0 0 340.427 2.014 40 0 EEABRN COc1ccccc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C ZINC000257222612 244189272 /nfs/dbraw/zinc/18/92/72/244189272.db2.gz DTZVHXUEKKDHST-HNNXBMFYSA-N 0 0 341.411 2.267 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)s1 ZINC000257222968 244191490 /nfs/dbraw/zinc/19/14/90/244191490.db2.gz DVIKXRGBHKQMTG-IAGOWNOFSA-N 0 0 342.464 2.300 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)n1 ZINC000257224208 244194598 /nfs/dbraw/zinc/19/45/98/244194598.db2.gz FATBQDHEZSHWQR-INIZCTEOSA-N 0 0 336.399 2.491 40 0 EEABRN O=C(CCOc1ccccc1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257229296 244208444 /nfs/dbraw/zinc/20/84/44/244208444.db2.gz FXNODRCGKMDTBN-SFHVURJKSA-N 0 0 341.411 2.106 40 0 EEABRN O=C(c1cnn2cccnc12)N1CCCC[C@@H]1c1ccn2nccc2n1 ZINC000257219958 244180982 /nfs/dbraw/zinc/18/09/82/244180982.db2.gz DIYYRRNFRYLGKI-OAHLLOKOSA-N 0 0 347.382 2.139 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)CCN2CCc3ccccc32)n1 ZINC000257221313 244184566 /nfs/dbraw/zinc/18/45/66/244184566.db2.gz DOLHJYVOEBSVFT-QGZVFWFLSA-N 0 0 340.427 2.071 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000257234893 244227438 /nfs/dbraw/zinc/22/74/38/244227438.db2.gz GVMCEJDXMGUXMA-GFCCVEGCSA-N 0 0 336.399 2.030 40 0 EEABRN Cc1nc2ncnn2c(N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)c1C ZINC000077225095 216857359 /nfs/dbraw/zinc/85/73/59/216857359.db2.gz QLHSZODQECPPCU-KGLIPLIRSA-N 0 0 330.436 2.236 40 0 EEABRN CCc1nccn1CC(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257253955 244276294 /nfs/dbraw/zinc/27/62/94/244276294.db2.gz KBABREPZGPGOFN-HNNXBMFYSA-N 0 0 327.432 2.270 40 0 EEABRN COc1ccccc1[C@H]1CNCCN1C(=O)CCc1c(C)noc1C ZINC000257257976 244287428 /nfs/dbraw/zinc/28/74/28/244287428.db2.gz KRWBFOKZGYHKKV-QGZVFWFLSA-N 0 0 343.427 2.406 40 0 EEABRN CC(C)c1nccn1CCC(=O)N1CC[C@@H]2[C@H](C1)CCCC(=O)N2C ZINC000257267486 244366717 /nfs/dbraw/zinc/36/67/17/244366717.db2.gz MHMYDMHEHGONJG-JKSUJKDBSA-N 0 0 346.475 2.256 40 0 EEABRN COCC(=O)N1CCC2(CCO[C@@H]2Cc2ccc(OC)cc2)CC1 ZINC000257271669 244381031 /nfs/dbraw/zinc/38/10/31/244381031.db2.gz MZHAVKSULLHZBB-QGZVFWFLSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1cn(C)c([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257275705 244391233 /nfs/dbraw/zinc/39/12/33/244391233.db2.gz NQNDQMACUUEPTI-MRXNPFEDSA-N 0 0 336.399 2.287 40 0 EEABRN CC(=O)NC1CCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC000257275115 244391249 /nfs/dbraw/zinc/39/12/49/244391249.db2.gz NNYQSYAPDPIASM-UHFFFAOYSA-N 0 0 344.455 2.153 40 0 EEABRN COc1ccccc1CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937298 212087073 /nfs/dbraw/zinc/08/70/73/212087073.db2.gz ZSTACUOTJJSKJP-UHFFFAOYSA-N 0 0 335.363 2.376 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)ccn1 ZINC000257277908 244396724 /nfs/dbraw/zinc/39/67/24/244396724.db2.gz NZZWKMSZWJAJFI-KRWDZBQOSA-N 0 0 349.394 2.184 40 0 EEABRN O=C(C[C@H]1CCCO1)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746085 212060464 /nfs/dbraw/zinc/06/04/64/212060464.db2.gz OWBIOAHBYQTCFO-OAHLLOKOSA-N 0 0 346.362 2.169 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(C(C)C)cc(=O)[nH]1 ZINC000019580378 212046681 /nfs/dbraw/zinc/04/66/81/212046681.db2.gz RAXVDPWTEJMBOU-HNNXBMFYSA-N 0 0 344.415 2.404 40 0 EEABRN CCN(CC)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019526506 212037942 /nfs/dbraw/zinc/03/79/42/212037942.db2.gz LCIQWEDKVGLQGW-LBPRGKRZSA-N 0 0 344.390 2.276 40 0 EEABRN C[C@@H](NC(=O)CCc1ccncc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019458405 212029644 /nfs/dbraw/zinc/02/96/44/212029644.db2.gz UCZVBPHCCIDAKZ-CYBMUJFWSA-N 0 0 349.394 2.037 40 0 EEABRN C[C@@H](NC(=O)c1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019458455 212029651 /nfs/dbraw/zinc/02/96/51/212029651.db2.gz UMKPPLSBKWFZMD-LLVKDONJSA-N 0 0 338.342 2.462 40 0 EEABRN CC(C)[C@@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019445599 212029062 /nfs/dbraw/zinc/02/90/62/212029062.db2.gz AUHZGVBALWBJIK-QGZVFWFLSA-N 0 0 349.394 2.354 40 0 EEABRN O=C(C[C@H]1CCCCO1)N1CC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341409 212017692 /nfs/dbraw/zinc/01/76/92/212017692.db2.gz BQRWSINORPYVBJ-HUUCEWRRSA-N 0 0 342.399 2.407 40 0 EEABRN Cc1ccnc(-n2cccc2CN2CCc3c(=O)[nH]c(C)nc3C2)c1 ZINC000019238224 212009371 /nfs/dbraw/zinc/00/93/71/212009371.db2.gz FXJDWXTWEASQPG-UHFFFAOYSA-N 0 0 335.411 2.131 40 0 EEABRN O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccccc1Cl)NN2Cc1ccccc1 ZINC000019169305 212003134 /nfs/dbraw/zinc/00/31/34/212003134.db2.gz RRXCJQDJLNMSPY-OWCLPIDISA-N 0 0 341.798 2.043 40 0 EEABRN CCn1c(CNC(=O)C2(c3ccccc3)CCOCC2)n[nH]c1=S ZINC000078496499 217063786 /nfs/dbraw/zinc/06/37/86/217063786.db2.gz BGOAQOQZAQCKAD-UHFFFAOYSA-N 0 0 346.456 2.325 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1CS[C@H]1CCCCNC1=O ZINC000078555791 217075968 /nfs/dbraw/zinc/07/59/68/217075968.db2.gz GRGKCZSNQXJDEI-ZDUSSCGKSA-N 0 0 331.445 2.181 40 0 EEABRN COc1ccc(F)cc1C[S@@](=O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000078556299 217076205 /nfs/dbraw/zinc/07/62/05/217076205.db2.gz BYRDYNVVYHCWEX-VCGICTTQSA-N 0 0 340.376 2.407 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000016740387 211932333 /nfs/dbraw/zinc/93/23/33/211932333.db2.gz UIWPTZOKMGPONK-LBPRGKRZSA-N 0 0 333.413 2.411 40 0 EEABRN O=C(NCCCC(=O)N1CCc2ccccc21)NCC[C@@H]1CCCO1 ZINC000078924970 217148903 /nfs/dbraw/zinc/14/89/03/217148903.db2.gz HJYHLPBXLWYXCD-INIZCTEOSA-N 0 0 345.443 2.224 40 0 EEABRN CSc1ccccc1NC(=O)C(=O)NCc1ccccc1CO ZINC000078979014 217162878 /nfs/dbraw/zinc/16/28/78/217162878.db2.gz FIBQFQJQZKUDFH-UHFFFAOYSA-N 0 0 330.409 2.156 40 0 EEABRN Cn1cc([C@@H]2[C@H](C(=O)NCCC3=CCCCC3)CCC(=O)N2C)cn1 ZINC000079359172 217214737 /nfs/dbraw/zinc/21/47/37/217214737.db2.gz PJSGQLXNXKHFNY-SJLPKXTDSA-N 0 0 344.459 2.336 40 0 EEABRN CO[C@]1(C)C[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1(C)C ZINC000081067503 217357384 /nfs/dbraw/zinc/35/73/84/217357384.db2.gz JXKRHTZTNJLOSX-SUMWQHHRSA-N 0 0 333.388 2.457 40 0 EEABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCC(N)=O ZINC000013547020 211575914 /nfs/dbraw/zinc/57/59/14/211575914.db2.gz HKIHZNICBZVUBO-UHFFFAOYSA-N 0 0 344.436 2.333 40 0 EEABRN Cc1nsc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)n1 ZINC000266556624 248359109 /nfs/dbraw/zinc/35/91/09/248359109.db2.gz MDJXHJUFVFTCRU-JTQLQIEISA-N 0 0 346.441 2.459 40 0 EEABRN CCCN(C[C@H]1CCCO1)C(=O)COc1ncnc2ccccc21 ZINC000012290483 211333688 /nfs/dbraw/zinc/33/36/88/211333688.db2.gz IJFPDXCLLIQFIS-CQSZACIVSA-N 0 0 329.400 2.426 40 0 EEABRN CCCc1cc(CNC(=O)Cn2cnc3sc(C)cc3c2=O)on1 ZINC000012192447 211314991 /nfs/dbraw/zinc/31/49/91/211314991.db2.gz MZDFHLJYDSXUAJ-UHFFFAOYSA-N 0 0 346.412 2.023 40 0 EEABRN COc1ccc2cc(C(=O)N3CCn4c(nnc4C4CC4)C3)[nH]c2c1 ZINC000012158693 211309831 /nfs/dbraw/zinc/30/98/31/211309831.db2.gz HQNDBRJBRGMJGS-UHFFFAOYSA-N 0 0 337.383 2.301 40 0 EEABRN Cc1ccc(-c2nc3c([nH]c(=O)n3C(C)C)c(C(N)=O)n2)cc1C ZINC000012145935 211306177 /nfs/dbraw/zinc/30/61/77/211306177.db2.gz MLKVEUPPSZSYQA-UHFFFAOYSA-N 0 0 325.372 2.083 40 0 EEABRN Cc1ccccc1CC(=O)NCCn1nc(-c2cccs2)oc1=O ZINC000012145406 211306191 /nfs/dbraw/zinc/30/61/91/211306191.db2.gz WUTLEVOPZXBFKJ-UHFFFAOYSA-N 0 0 343.408 2.232 40 0 EEABRN CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCCCC1 ZINC000012084736 211288671 /nfs/dbraw/zinc/28/86/71/211288671.db2.gz QVLQVGDNZCUELR-CQSZACIVSA-N 0 0 328.416 2.267 40 0 EEABRN CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)[C@@H](O)c1ccccc1F ZINC000095407001 218343027 /nfs/dbraw/zinc/34/30/27/218343027.db2.gz XONHAPDGNMUDFA-WMZOPIPTSA-N 0 0 333.407 2.347 40 0 EEABRN Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000095412109 218348833 /nfs/dbraw/zinc/34/88/33/218348833.db2.gz DUUKUAAUASWPQH-ZDUSSCGKSA-N 0 0 331.416 2.308 40 0 EEABRN C[C@H](NC(=O)CNc1cccc(Cl)c1F)C(=O)N1CCCCC1 ZINC000095417931 218357647 /nfs/dbraw/zinc/35/76/47/218357647.db2.gz IFETUMAIHNOTSQ-NSHDSACASA-N 0 0 341.814 2.408 40 0 EEABRN O=C([C@@H](O)c1ccccc1)N1CCN(c2ccncc2Cl)CC1 ZINC000095438380 218382292 /nfs/dbraw/zinc/38/22/92/218382292.db2.gz YJVXAJHLFZRKGZ-INIZCTEOSA-N 0 0 331.803 2.117 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)CCN(C(=O)c1cscn1)C2 ZINC000096046443 218533163 /nfs/dbraw/zinc/53/31/63/218533163.db2.gz AJRQPWIOCYUYQC-UHFFFAOYSA-N 0 0 331.397 2.033 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@@H](Nc3nccs3)CO2)C1 ZINC000096073818 218572273 /nfs/dbraw/zinc/57/22/73/218572273.db2.gz VNSNUXQNQVVPRX-WBMJQRKESA-N 0 0 332.429 2.347 40 0 EEABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cccc(F)c1 ZINC000096098579 218591627 /nfs/dbraw/zinc/59/16/27/218591627.db2.gz XCYBELUSWMVEMA-UHFFFAOYSA-N 0 0 330.363 2.321 40 0 EEABRN O=C(NC[C@H]1COCc2nc3cccnc3n21)c1ccc(F)cc1 ZINC000096112553 218608439 /nfs/dbraw/zinc/60/84/39/218608439.db2.gz NBWYXVVUMPQTMT-ZDUSSCGKSA-N 0 0 326.331 2.072 40 0 biogenic,in-vitro EEABRN CN1C(=O)CO[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000096181710 218643246 /nfs/dbraw/zinc/64/32/46/218643246.db2.gz VWDAETNZTAAJTD-DLBZAZTESA-N 0 0 334.391 2.173 40 0 EEABRN Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006204697 210601084 /nfs/dbraw/zinc/60/10/84/210601084.db2.gz HLBRVAQQFCSYQA-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000096411390 218766901 /nfs/dbraw/zinc/76/69/01/218766901.db2.gz QJNNLQUUFDSCGZ-CQSZACIVSA-N 0 0 335.429 2.198 40 0 EEABRN CC[C@@](C)(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1nccs1 ZINC000096416613 218777495 /nfs/dbraw/zinc/77/74/95/218777495.db2.gz PHHCWDXYCQISTQ-MRXNPFEDSA-N 0 0 342.428 2.103 40 0 EEABRN COc1ccc(OCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000130417034 533003785 /nfs/dbraw/zinc/00/37/85/533003785.db2.gz TZLBYNGPBJNHDL-OAHLLOKOSA-N 0 0 341.411 2.254 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c1C ZINC000096423538 218790782 /nfs/dbraw/zinc/79/07/82/218790782.db2.gz XRBWLVYSECGOBP-GFCCVEGCSA-N 0 0 337.445 2.096 40 0 EEABRN Cn1ncc(C(=O)Nc2ccc([S@](C)=O)cc2)c1-n1cccc1 ZINC000096426992 218797740 /nfs/dbraw/zinc/79/77/40/218797740.db2.gz JDIDRVCLOFJBJW-HSZRJFAPSA-N 0 0 328.397 2.201 40 0 EEABRN O=C(Nc1ccccc1N1CCCC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000096452175 218835051 /nfs/dbraw/zinc/83/50/51/218835051.db2.gz ZQQNKQPARXRFHS-ZDUSSCGKSA-N 0 0 328.416 2.172 40 0 EEABRN Cc1cccc(-c2c(I)cnn2CCO)c1 ZINC000096527428 218882678 /nfs/dbraw/zinc/88/26/78/218882678.db2.gz RJZMCSKDZVNDNS-UHFFFAOYSA-N 0 0 328.153 2.455 40 0 EEABRN COCCn1c(=S)[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000004993901 210352309 /nfs/dbraw/zinc/35/23/09/210352309.db2.gz MVWQUYDOKQYTJZ-UHFFFAOYSA-N 0 0 325.390 2.280 40 0 EEABRN O=C(c1ccccn1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccnc1 ZINC000000033244 208552406 /nfs/dbraw/zinc/55/24/06/208552406.db2.gz KQMAKSDSJDEZKR-CQSZACIVSA-N 0 0 336.273 2.086 40 0 EEABRN Cc1c(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cnn1C(C)(C)C ZINC000154138956 224209186 /nfs/dbraw/zinc/20/91/86/224209186.db2.gz IOXBBYMTULGNBU-AWEZNQCLSA-N 0 0 344.463 2.079 40 0 EEABRN C[C@@H](C(=O)N1CCC(C)CC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178279140 533191307 /nfs/dbraw/zinc/19/13/07/533191307.db2.gz GJHCZVKSZWNANG-KBPBESRZSA-N 0 0 335.414 2.202 40 0 EEABRN Cn1cc(-c2cnc3n2C[C@]2(CCN(C(=O)C(C)(C)C)C2)C3)cn1 ZINC000306126929 257918794 /nfs/dbraw/zinc/91/87/94/257918794.db2.gz FJIMWSOSNJTMRM-GOSISDBHSA-N 0 0 327.432 2.105 40 0 EEABRN O=C1NCC[C@@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000179047717 258071855 /nfs/dbraw/zinc/07/18/55/258071855.db2.gz VPWJJUZUMZCUHI-AWEZNQCLSA-N 0 0 349.232 2.189 40 0 EEABRN CO[C@H](C)C(=O)Nc1ccccc1C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000192990680 285943192 /nfs/dbraw/zinc/94/31/92/285943192.db2.gz ZOJYPDCVFSEVKB-KGLIPLIRSA-N 0 0 348.443 2.401 40 0 EEABRN Cc1cccc(CCNC(=O)NC2CCN(CC(F)(F)F)CC2)n1 ZINC000280786499 269389826 /nfs/dbraw/zinc/38/98/26/269389826.db2.gz KQRURUASDAUUEG-UHFFFAOYSA-N 0 0 344.381 2.258 40 0 EEABRN Cc1cc(Br)oc1C(=O)NC1(c2nc[nH]n2)CCC1 ZINC000280933678 269399106 /nfs/dbraw/zinc/39/91/06/269399106.db2.gz YNWNFWVLPAETJE-UHFFFAOYSA-N 0 0 325.166 2.278 40 0 EEABRN Cc1ccc(F)cc1C1(c2noc([C@H](C)NS(C)(=O)=O)n2)CC1 ZINC000289062416 275097609 /nfs/dbraw/zinc/09/76/09/275097609.db2.gz IJGWRDBZNMKYCV-JTQLQIEISA-N 0 0 339.392 2.207 40 0 EEABRN Cc1ccc(N2CCCN(c3nc(C)nc4c3CCCC4)CC2)nn1 ZINC000253426396 280867217 /nfs/dbraw/zinc/86/72/17/280867217.db2.gz OBYXLEXIRMZLBD-UHFFFAOYSA-N 0 0 338.459 2.479 40 0 EEABRN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(S(C)(=O)=O)[C@@H]3C[C@H]21 ZINC000257304340 281422059 /nfs/dbraw/zinc/42/20/59/281422059.db2.gz SLDWKEAUNGWVAB-XOUADPBQSA-N 0 0 337.441 2.338 40 0 EEABRN CCc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)CC)CC1)O2 ZINC000225817999 288575802 /nfs/dbraw/zinc/57/58/02/288575802.db2.gz XUIHUDFKRMJLQA-UHFFFAOYSA-N 0 0 337.441 2.399 40 0 EEABRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccnc3c2nnn3C)C1 ZINC000283087794 292892709 /nfs/dbraw/zinc/89/27/09/292892709.db2.gz WEXWAFKLSRCIOR-LBPRGKRZSA-N 0 0 336.399 2.096 40 0 EEABRN CC(C)Oc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 ZINC000298120796 294425346 /nfs/dbraw/zinc/42/53/46/294425346.db2.gz UDNYMHIRQKWPJF-UHFFFAOYSA-N 0 0 326.396 2.406 40 0 EEABRN Fc1cccnc1O[C@H]1CO[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096107399 294772371 /nfs/dbraw/zinc/77/23/71/294772371.db2.gz XLNAUMGNJDLGRL-DYVFJYSZSA-N 0 0 330.363 2.218 40 0 EEABRN Cc1ccnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 ZINC000096181681 302278125 /nfs/dbraw/zinc/27/81/25/302278125.db2.gz LXHGINHYSKVTKQ-IRXDYDNUSA-N 0 0 343.358 2.066 40 0 EEABRN CC1(C)CC[C@@H](CN2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)O1 ZINC000328902656 311630820 /nfs/dbraw/zinc/63/08/20/311630820.db2.gz GWMDMDDRPXFJCR-NWDGAFQWSA-N 0 0 348.369 2.171 40 0 EEABRN O=C([C@H]1CCn2cncc2C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000328946540 311634689 /nfs/dbraw/zinc/63/46/89/311634689.db2.gz MHWQLBIYVWARHU-SMDDNHRTSA-N 0 0 330.413 2.047 40 0 EEABRN Cc1nc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000097237827 323321362 /nfs/dbraw/zinc/32/13/62/323321362.db2.gz DPULGYYIVSUQGC-HNNXBMFYSA-N 0 0 343.518 2.278 40 0 EEABRN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000195563982 323515182 /nfs/dbraw/zinc/51/51/82/323515182.db2.gz LFWUQKGLSQYVTQ-BZUAXINKSA-N 0 0 342.420 2.370 40 0 EEABRN CCn1cc(CCN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)cn1 ZINC000329163582 465252306 /nfs/dbraw/zinc/25/23/06/465252306.db2.gz GJBOZQIKCXZWLX-LJQANCHMSA-N 0 0 338.411 2.129 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000298124799 465309750 /nfs/dbraw/zinc/30/97/50/465309750.db2.gz WBNPZFUBLISBTQ-UHFFFAOYSA-N 0 0 326.396 2.060 40 0 EEABRN Cc1cc(C(=O)N2CC(Oc3nc4c(cccc4F)s3)C2)nn1C ZINC000085471129 462550491 /nfs/dbraw/zinc/55/04/91/462550491.db2.gz FEPLLJHGMJETSC-UHFFFAOYSA-N 0 0 346.387 2.381 40 0 EEABRN NC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 ZINC000000419960 462559990 /nfs/dbraw/zinc/55/99/90/462559990.db2.gz GNJIBJVJTHGXLW-UHFFFAOYSA-N 0 0 340.408 2.276 40 0 EEABRN CCCn1nnnc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000000569491 462571546 /nfs/dbraw/zinc/57/15/46/462571546.db2.gz BWFGJNOCDQYUSG-UHFFFAOYSA-N 0 0 332.433 2.333 40 0 EEABRN O=C(NCCc1nnc2n1CCC2)N(CCC(F)(F)F)C1CCC1 ZINC000086429720 462573326 /nfs/dbraw/zinc/57/33/26/462573326.db2.gz JZXSHHVXISQHJX-UHFFFAOYSA-N 0 0 345.369 2.283 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)c2ccccc12 ZINC000045741955 462611765 /nfs/dbraw/zinc/61/17/65/462611765.db2.gz VBSUXYDIMJJYFA-ZDUSSCGKSA-N 0 0 345.424 2.412 40 0 EEABRN COc1ccccc1[C@@H](NC(=O)NCc1ncnn1C)C(C)(C)C ZINC000088602067 462639145 /nfs/dbraw/zinc/63/91/45/462639145.db2.gz DZKVTGVFXNIKKM-OAHLLOKOSA-N 0 0 331.420 2.410 40 0 EEABRN CCN(CC)SC(=S)N1C(=O)c2ccccc2S1(=O)=O ZINC000005453843 462661068 /nfs/dbraw/zinc/66/10/68/462661068.db2.gz OANZFAAAZDUPFW-UHFFFAOYSA-N 0 0 330.456 2.106 40 0 EEABRN Cc1ccc(CC(=O)NCCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000075003677 462662819 /nfs/dbraw/zinc/66/28/19/462662819.db2.gz HCQHNDOJISEUTP-UHFFFAOYSA-N 0 0 331.437 2.300 40 0 EEABRN CCC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000006324912 462682888 /nfs/dbraw/zinc/68/28/88/462682888.db2.gz MATRQNZVECFBEO-NSHDSACASA-N 0 0 332.853 2.411 40 0 EEABRN CSc1ccccc1NC(=O)c1ccc(N2CCOCC2)nn1 ZINC000075172705 462690572 /nfs/dbraw/zinc/69/05/72/462690572.db2.gz WIGZSPGVMVJFAD-UHFFFAOYSA-N 0 0 330.413 2.287 40 0 EEABRN O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CSCCC(=O)N1 ZINC000075171503 462691326 /nfs/dbraw/zinc/69/13/26/462691326.db2.gz JETLOUNBLGCFHO-VIFPVBQESA-N 0 0 334.319 2.145 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000006944974 462713984 /nfs/dbraw/zinc/71/39/84/462713984.db2.gz BGIOUUBQABKFIN-CYBMUJFWSA-N 0 0 326.462 2.320 40 0 EEABRN Cn1cc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cn1 ZINC000075469148 462719971 /nfs/dbraw/zinc/71/99/71/462719971.db2.gz DLZRCUVFAWIKML-UHFFFAOYSA-N 0 0 340.408 2.429 40 0 EEABRN CC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000007389150 462733399 /nfs/dbraw/zinc/73/33/99/462733399.db2.gz RZDWJNVYXLXZME-UHFFFAOYSA-N 0 0 326.381 2.400 40 0 EEABRN COc1ccc(N2C[C@@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 ZINC000007928972 462758424 /nfs/dbraw/zinc/75/84/24/462758424.db2.gz JARRNVQSXYBHHA-AWEZNQCLSA-N 0 0 339.347 2.466 40 0 EEABRN Cc1ccc2c(c1)CCCN2C(=O)CSc1nc(C)cc(=O)[nH]1 ZINC000010382502 462818738 /nfs/dbraw/zinc/81/87/38/462818738.db2.gz NVPXAXJPMXCSSI-UHFFFAOYSA-N 0 0 329.425 2.458 40 0 EEABRN CCc1nn2c(nnc(C(=O)OC)c2C)c1-c1ccccc1OC ZINC000013639289 462898615 /nfs/dbraw/zinc/89/86/15/462898615.db2.gz FCUJMNCFPKXPOU-UHFFFAOYSA-N 0 0 326.356 2.457 40 0 EEABRN CCCNC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712521 462900908 /nfs/dbraw/zinc/90/09/08/462900908.db2.gz SNRBFOJJMPKYTA-ZDUSSCGKSA-N 0 0 332.853 2.411 40 0 EEABRN COC(=O)c1c[nH]c(=O)c(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 ZINC000155721736 462934233 /nfs/dbraw/zinc/93/42/33/462934233.db2.gz BAFUQOWVDUYMGM-QWRGUYRKSA-N 0 0 332.381 2.274 40 0 EEABRN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(F)cc1 ZINC000019713155 463021283 /nfs/dbraw/zinc/02/12/83/463021283.db2.gz BPKFTRMJKYAGDB-JKSUJKDBSA-N 0 0 333.407 2.240 40 0 EEABRN C[S@@](=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000077736501 463033800 /nfs/dbraw/zinc/03/38/00/463033800.db2.gz LQNVSHDHIPSDRL-YPCHGGDPSA-N 0 0 342.420 2.035 40 0 EEABRN C[C@@H](Nc1cnn(C)c(=O)c1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000052360289 463076275 /nfs/dbraw/zinc/07/62/75/463076275.db2.gz YSDHCXXLSFJOMG-SECBINFHSA-N 0 0 332.791 2.492 40 0 EEABRN COc1cc(C=O)ccc1OCCC(=O)N(C)Cc1cc(C)on1 ZINC000096012303 463141613 /nfs/dbraw/zinc/14/16/13/463141613.db2.gz RBCZBCHCWOGACO-UHFFFAOYSA-N 0 0 332.356 2.232 40 0 EEABRN O=C(c1ccnnc1)N1C[C@@H](OCC2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096042402 463147421 /nfs/dbraw/zinc/14/74/21/463147421.db2.gz RBULDIBMVMVORY-ZACQAIPSSA-N 0 0 331.416 2.055 40 0 EEABRN Cc1nnc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccc(C)cc4)C[C@H]3O2)[nH]1 ZINC000096046216 463150356 /nfs/dbraw/zinc/15/03/56/463150356.db2.gz JDZVXNKSZLXLSH-GVDBMIGSSA-N 0 0 340.427 2.343 40 0 EEABRN Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)c4cscn4)C[C@H]3O2)n1 ZINC000096046360 463150465 /nfs/dbraw/zinc/15/04/65/463150465.db2.gz NKUJIULUPGEGKN-TUKIKUTGSA-N 0 0 330.413 2.234 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048520 463152232 /nfs/dbraw/zinc/15/22/32/463152232.db2.gz UWCLGRYHCPFWHX-PBHICJAKSA-N 0 0 346.362 2.085 40 0 EEABRN O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccs3)C[C@H]21)N1CCCC1 ZINC000096057217 463158446 /nfs/dbraw/zinc/15/84/46/463158446.db2.gz SNTHKXGOYUAHAV-KFWWJZLASA-N 0 0 348.468 2.095 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2ncn(CC3CC3)c21 ZINC000096060284 463159885 /nfs/dbraw/zinc/15/98/85/463159885.db2.gz RFDXXFVAMGCZFA-HNNXBMFYSA-N 0 0 340.427 2.383 40 0 EEABRN O=C(c1ccccn1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1 ZINC000096067291 463164852 /nfs/dbraw/zinc/16/48/52/463164852.db2.gz IXJZYUPEZILILK-HNNXBMFYSA-N 0 0 349.394 2.024 40 0 EEABRN COCCN1C(=O)CCC[C@]12CCCN(Cc1csc(C)n1)C2 ZINC000096077067 463169524 /nfs/dbraw/zinc/16/95/24/463169524.db2.gz CSQNBWPEPXFXAQ-QGZVFWFLSA-N 0 0 337.489 2.445 40 0 EEABRN O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110385 463178791 /nfs/dbraw/zinc/17/87/91/463178791.db2.gz ZYPATEFHSYVVTE-AEFFLSMTSA-N 0 0 331.416 2.157 40 0 EEABRN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CSC2CCCC2)C1 ZINC000096120119 463180875 /nfs/dbraw/zinc/18/08/75/463180875.db2.gz FAHZMNIVTZTYCM-CYBMUJFWSA-N 0 0 333.519 2.476 40 0 EEABRN CCN(C(=O)N[C@@H](C)Cc1ccsc1)[C@@H](C)CS(C)(=O)=O ZINC000079036219 463181764 /nfs/dbraw/zinc/18/17/64/463181764.db2.gz FSGZSPPEYSLSIT-RYUDHWBXSA-N 0 0 332.491 2.144 40 0 EEABRN Cc1ccc(NCCNC(=O)CCOc2ccccc2Cl)nn1 ZINC000079046564 463182929 /nfs/dbraw/zinc/18/29/29/463182929.db2.gz LYONTZRMUMVJSZ-UHFFFAOYSA-N 0 0 334.807 2.436 40 0 EEABRN O=C(N1CCCC1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096159777 463190470 /nfs/dbraw/zinc/19/04/70/463190470.db2.gz ANUJQCQCGFVFPE-LJQANCHMSA-N 0 0 345.418 2.466 40 0 EEABRN c1cnc(N2CCO[C@@]3(CCC[C@@H]3COc3cccnc3)C2)nc1 ZINC000096159930 463191079 /nfs/dbraw/zinc/19/10/79/463191079.db2.gz ZNQZPGVBRBQWGW-QAPCUYQASA-N 0 0 326.400 2.326 40 0 EEABRN Cc1cccc(CN2C[C@H](OCc3ccccn3)[C@H]3COC[C@H]32)n1 ZINC000096185107 463195459 /nfs/dbraw/zinc/19/54/59/463195459.db2.gz FMEWIJSZIMOEAQ-OTWHNJEPSA-N 0 0 325.412 2.201 40 0 EEABRN Fc1cnc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1 ZINC000096186165 463197170 /nfs/dbraw/zinc/19/71/70/463197170.db2.gz XLACFDZKZYRCIS-ULQDDVLXSA-N 0 0 344.390 2.354 40 0 EEABRN O=C(Cc1ccccc1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000096186467 463197412 /nfs/dbraw/zinc/19/74/12/463197412.db2.gz MFLBNQBRUTXNCB-ROUUACIJSA-N 0 0 335.407 2.421 40 0 EEABRN Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)c(C)o1 ZINC000096188574 463200799 /nfs/dbraw/zinc/20/07/99/463200799.db2.gz GXKWARYXVZYESC-HNNXBMFYSA-N 0 0 339.399 2.262 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096199609 463204543 /nfs/dbraw/zinc/20/45/43/463204543.db2.gz MIFLMEFMEWQSQK-KRWDZBQOSA-N 0 0 335.407 2.360 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)C1 ZINC000096203208 463208419 /nfs/dbraw/zinc/20/84/19/463208419.db2.gz DMBKBGBPKSVPGB-LJQANCHMSA-N 0 0 339.395 2.472 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccno4)C3)CC2=O)cc1 ZINC000096238488 463223397 /nfs/dbraw/zinc/22/33/97/463223397.db2.gz ZXHMEIQNEXDDSV-GOSISDBHSA-N 0 0 325.368 2.252 40 0 EEABRN Cc1noc(C)c1CN1C[C@]2(CCN(c3ccccn3)C2)CC1=O ZINC000096239396 463224275 /nfs/dbraw/zinc/22/42/75/463224275.db2.gz GCSFAKDQZDPZBI-GOSISDBHSA-N 0 0 326.400 2.315 40 0 EEABRN Fc1cnc(N2CCN(Cc3cccnc3)c3ncccc3C2)nc1 ZINC000096260852 463231526 /nfs/dbraw/zinc/23/15/26/463231526.db2.gz BPJKFMNOVJNQLT-UHFFFAOYSA-N 0 0 336.374 2.433 40 0 EEABRN Cc1cccc(-n2cc(C(=O)Nc3cccc(C(N)=O)c3C)nn2)c1 ZINC000096402742 463238234 /nfs/dbraw/zinc/23/82/34/463238234.db2.gz NTTLTZWEKPUAHR-UHFFFAOYSA-N 0 0 335.367 2.235 40 0 EEABRN O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000096402869 463238451 /nfs/dbraw/zinc/23/84/51/463238451.db2.gz FSBLEEBLSXLTBD-ZDUSSCGKSA-N 0 0 340.383 2.114 40 0 EEABRN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC2(CC1)OC[C@@H](C)O2 ZINC000096414913 463247351 /nfs/dbraw/zinc/24/73/51/463247351.db2.gz DMRGGRXNGNZIED-OLZOCXBDSA-N 0 0 330.388 2.420 40 0 EEABRN CC(C)N1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000096416888 463249673 /nfs/dbraw/zinc/24/96/73/463249673.db2.gz WWPUCKZYQQPQCD-UHFFFAOYSA-N 0 0 331.338 2.189 40 0 EEABRN Cn1ccnc1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000096421332 463252609 /nfs/dbraw/zinc/25/26/09/463252609.db2.gz JJWTVSDKNOREET-UHFFFAOYSA-N 0 0 336.798 2.171 40 0 EEABRN CCC[C@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1 ZINC000096421416 463252777 /nfs/dbraw/zinc/25/27/77/463252777.db2.gz VZBNWTSDBSCWIK-FUHWJXTLSA-N 0 0 330.432 2.468 40 0 EEABRN C[C@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1csc(C2CC2)n1 ZINC000096421569 463252871 /nfs/dbraw/zinc/25/28/71/463252871.db2.gz MRLYQQQLRDKXSV-QFYYESIMSA-N 0 0 349.460 2.022 40 0 EEABRN CC(C)n1cc(S(=O)(=O)N2CC[C@H](Oc3ccccc3)C2)cn1 ZINC000096428028 463258116 /nfs/dbraw/zinc/25/81/16/463258116.db2.gz LDMHFKVMEQGYRT-HNNXBMFYSA-N 0 0 335.429 2.306 40 0 EEABRN Cc1cc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)no1 ZINC000096430693 463259851 /nfs/dbraw/zinc/25/98/51/463259851.db2.gz JVUWJXRPBCJEHY-INIZCTEOSA-N 0 0 327.384 2.099 40 0 EEABRN COc1c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)nn1C ZINC000096432898 463260997 /nfs/dbraw/zinc/26/09/97/463260997.db2.gz NGIQELDOULZSSA-HOTGVXAUSA-N 0 0 343.427 2.465 40 0 EEABRN C[C@H](NC(=O)COC[C@@H]1CCCO1)c1cccc(-n2ccnc2)c1 ZINC000096432094 463261252 /nfs/dbraw/zinc/26/12/52/463261252.db2.gz YONALOFQUAJLIP-YOEHRIQHSA-N 0 0 329.400 2.245 40 0 EEABRN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000096439272 463266270 /nfs/dbraw/zinc/26/62/70/463266270.db2.gz VPCPRNPGGSHQMU-QWRGUYRKSA-N 0 0 326.466 2.193 40 0 EEABRN Cc1ccc(C(=O)N[C@H](C(=O)/N=c2\sccn2C)C(C)C)cc1 ZINC000029649744 463267025 /nfs/dbraw/zinc/26/70/25/463267025.db2.gz WSWBVDNEXSGGDQ-STGLLQLASA-N 0 0 331.441 2.277 40 0 EEABRN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000096441551 463267104 /nfs/dbraw/zinc/26/71/04/463267104.db2.gz YTNPOFKGZYZGJS-AWEZNQCLSA-N 0 0 349.862 2.168 40 0 EEABRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000096450373 463271915 /nfs/dbraw/zinc/27/19/15/463271915.db2.gz RIZKCYLQTMJZPA-SJKOYZFVSA-N 0 0 338.473 2.157 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000096451182 463273296 /nfs/dbraw/zinc/27/32/96/463273296.db2.gz HDGGNVMWSKISDQ-QMMMGPOBSA-N 0 0 330.722 2.351 40 0 EEABRN C[C@](NC(=O)c1ccco1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454572 463273983 /nfs/dbraw/zinc/27/39/83/463273983.db2.gz YKCRRVBDXWBUHQ-CQSZACIVSA-N 0 0 326.274 2.429 40 0 EEABRN Cc1ccc(CCNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cn1 ZINC000096455069 463275530 /nfs/dbraw/zinc/27/55/30/463275530.db2.gz BFMJIACAMGNXGW-CYBMUJFWSA-N 0 0 344.381 2.211 40 0 EEABRN COC(=O)[C@H](CNC(=O)c1cncc(F)c1)Cc1ccccc1C ZINC000096467932 463277547 /nfs/dbraw/zinc/27/75/47/463277547.db2.gz YCPVMZLVRQXBQA-HNNXBMFYSA-N 0 0 330.359 2.291 40 0 EEABRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000096465834 463277884 /nfs/dbraw/zinc/27/78/84/463277884.db2.gz HNKMKUGCERLSTF-UTUOFQBUSA-N 0 0 335.370 2.370 40 0 EEABRN Cc1cc(S(=O)(=O)N(C)CCN2CCCC2=O)c(Cl)cc1F ZINC000096472641 463279289 /nfs/dbraw/zinc/27/92/89/463279289.db2.gz PZPMHQBXHOVACL-UHFFFAOYSA-N 0 0 348.827 2.030 40 0 EEABRN C[C@@H]1CN(CCCCNc2ccccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000096481004 463280965 /nfs/dbraw/zinc/28/09/65/463280965.db2.gz NKSNKIZREJBFFY-GASCZTMLSA-N 0 0 340.489 2.391 40 0 EEABRN CC(C)(C)c1nnnn1Cc1nc(COc2ccc(F)cc2)no1 ZINC000096482522 463281551 /nfs/dbraw/zinc/28/15/51/463281551.db2.gz NXSXKBHCJKMSBP-UHFFFAOYSA-N 0 0 332.339 2.120 40 0 EEABRN O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1O ZINC000096483445 463282598 /nfs/dbraw/zinc/28/25/98/463282598.db2.gz RONFSHSEBLJEMU-CHWSQXEVSA-N 0 0 348.262 2.172 40 0 EEABRN C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000096485914 463284254 /nfs/dbraw/zinc/28/42/54/463284254.db2.gz HCGYXNCIENVKEV-NHYWBVRUSA-N 0 0 343.830 2.340 40 0 EEABRN O=C(NCCCc1cccc(Br)c1)[C@]1(O)CCSC1 ZINC000096487444 463285073 /nfs/dbraw/zinc/28/50/73/463285073.db2.gz CYUIABUTROLENW-AWEZNQCLSA-N 0 0 344.274 2.366 40 0 EEABRN Cc1cc([C@H](C)NC(=O)CCC(=O)N2CCC(O)CC2)c(C)s1 ZINC000096487359 463285368 /nfs/dbraw/zinc/28/53/68/463285368.db2.gz TVPBATZLZDNQMI-LBPRGKRZSA-N 0 0 338.473 2.306 40 0 EEABRN C[C@@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000096494002 463287940 /nfs/dbraw/zinc/28/79/40/463287940.db2.gz HQDWFHDJZHLHDZ-RHSMWYFYSA-N 0 0 328.416 2.134 40 0 EEABRN C[C@H](NCc1nnnn1-c1ccccc1)c1cccc(-n2cncn2)c1 ZINC000096492325 463288128 /nfs/dbraw/zinc/28/81/28/463288128.db2.gz KYMYCMWKBYLEFO-AWEZNQCLSA-N 0 0 346.398 2.094 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCOC1 ZINC000096496073 463288852 /nfs/dbraw/zinc/28/88/52/463288852.db2.gz KOMKIDIZLLXZPT-BXKDBHETSA-N 0 0 333.354 2.461 40 0 EEABRN NC(=O)[C@H]1Nc2ccc(Cl)cc2[C@@H]1S(=O)(=O)c1ccccc1 ZINC000096865407 463300330 /nfs/dbraw/zinc/30/03/30/463300330.db2.gz SLAXPQTVSBFEQX-KBPBESRZSA-N 0 0 336.800 2.134 40 0 EEABRN C[C@@H](Cc1ccccc1F)NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103012 463324099 /nfs/dbraw/zinc/32/40/99/463324099.db2.gz ZHJNTBBSAFQNKY-AWEZNQCLSA-N 0 0 347.434 2.411 40 0 EEABRN Cc1cc(F)ccc1CCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103117 463325004 /nfs/dbraw/zinc/32/50/04/463325004.db2.gz PUTPFHHWDPBYHE-UHFFFAOYSA-N 0 0 347.434 2.331 40 0 EEABRN C[C@H](CN1CCOC1=O)NC(=O)c1c(F)cccc1Br ZINC000097212922 463348544 /nfs/dbraw/zinc/34/85/44/463348544.db2.gz NOQBKEJXCASGBS-MRVPVSSYSA-N 0 0 345.168 2.159 40 0 EEABRN O=C(Nc1ncn(Cc2cccnc2)n1)c1occc1Br ZINC000097227440 463349437 /nfs/dbraw/zinc/34/94/37/463349437.db2.gz ZGXMTWCMXOJEPH-UHFFFAOYSA-N 0 0 348.160 2.329 40 0 EEABRN CC(C)Cc1ncc(CNS(=O)(=O)c2ccc(N)cc2)s1 ZINC000097376016 463356859 /nfs/dbraw/zinc/35/68/59/463356859.db2.gz DKIMITWKELFADC-UHFFFAOYSA-N 0 0 325.459 2.402 40 0 EEABRN O=C(Cn1cncn1)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000070971624 463398534 /nfs/dbraw/zinc/39/85/34/463398534.db2.gz CIUVZHINDPEOEG-UHFFFAOYSA-N 0 0 336.277 2.121 40 0 EEABRN CN(CCCNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000057288545 463475402 /nfs/dbraw/zinc/47/54/02/463475402.db2.gz KQYKYWQOLLKKGF-SFHVURJKSA-N 0 0 326.396 2.469 40 0 EEABRN CCOc1ccc(Cn2c(CS(C)(=O)=O)nc3ccccc32)nc1 ZINC000083596541 463552314 /nfs/dbraw/zinc/55/23/14/463552314.db2.gz ZMMXJCQXMYWSLU-UHFFFAOYSA-N 0 0 345.424 2.423 40 0 EEABRN CC(C)NC(=O)N1CCO[C@]2(CCC[C@@H]2COc2cccnc2)C1 ZINC000107195270 463561175 /nfs/dbraw/zinc/56/11/75/463561175.db2.gz DLSHZLVAKRBWOC-CRAIPNDOSA-N 0 0 333.432 2.450 40 0 EEABRN Cc1nc(CN2CCN([C@H]3CCOC3)Cc3cccnc32)cs1 ZINC000107214922 463561813 /nfs/dbraw/zinc/56/18/13/463561813.db2.gz ORHPNZUMCUOZNV-INIZCTEOSA-N 0 0 330.457 2.458 40 0 EEABRN CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc2c(c1)OCCCO2 ZINC000107715446 463579795 /nfs/dbraw/zinc/57/97/95/463579795.db2.gz CZORSJCEPVEDET-ZVZYQTTQSA-N 0 0 347.411 2.256 40 0 EEABRN Cc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)o1 ZINC000107738949 463580284 /nfs/dbraw/zinc/58/02/84/463580284.db2.gz OACJGUNKKLGUIH-FUHWJXTLSA-N 0 0 331.416 2.092 40 0 EEABRN CCC[C@H]1CCc2c(sc(=O)n2CC(=O)Nc2cc(C)nn2C)C1 ZINC000085263297 463642762 /nfs/dbraw/zinc/64/27/62/463642762.db2.gz FMJGTQRUQFVXGE-LBPRGKRZSA-N 0 0 348.472 2.495 40 0 EEABRN CC(C)NC(=O)C(=O)NCCOc1ccc(-c2ccccc2)cc1 ZINC000059417413 463642993 /nfs/dbraw/zinc/64/29/93/463642993.db2.gz YOWVNRYDCHGJHZ-UHFFFAOYSA-N 0 0 326.396 2.373 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000170550357 463677861 /nfs/dbraw/zinc/67/78/61/463677861.db2.gz LIABAZUSWOODSK-UHFFFAOYSA-N 0 0 329.805 2.099 40 0 EEABRN CSc1cccc(N2C[C@H](C(=O)Nc3ccn(C)n3)CC2=O)c1 ZINC000044873020 463697603 /nfs/dbraw/zinc/69/76/03/463697603.db2.gz ZKMHPSYWPZWONR-LLVKDONJSA-N 0 0 330.413 2.134 40 0 EEABRN C[C@@H]1CN(CCN(C)C(=O)Nc2ccccc2N(C)C)C[C@H](C)O1 ZINC000193736626 463735168 /nfs/dbraw/zinc/73/51/68/463735168.db2.gz IFIPMOUXMPHYJL-GASCZTMLSA-N 0 0 334.464 2.326 40 0 EEABRN CNc1cc(CC[C@H]2CN(c3nc(C)cc(C)n3)CCO2)ccn1 ZINC000257228788 463755980 /nfs/dbraw/zinc/75/59/80/463755980.db2.gz FVFISLNLJYHECB-INIZCTEOSA-N 0 0 327.432 2.368 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cc(C)on1 ZINC000257254720 463757363 /nfs/dbraw/zinc/75/73/63/463757363.db2.gz KEJJWQSXENDSHJ-MRXNPFEDSA-N 0 0 343.383 2.037 40 0 EEABRN COc1ccc(C(=O)N2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)cn1 ZINC000257283197 463761843 /nfs/dbraw/zinc/76/18/43/463761843.db2.gz OXEBGGBWGWVCQI-OAHLLOKOSA-N 0 0 341.415 2.232 40 0 EEABRN CC(C)Oc1ccc(C(=O)N2CCO[C@H](c3cnccn3)C2)cc1 ZINC000257285013 463761853 /nfs/dbraw/zinc/76/18/53/463761853.db2.gz PFGHJEIZQYMYSO-KRWDZBQOSA-N 0 0 327.384 2.478 40 0 EEABRN Cc1ccnn1CCC(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257286967 463763305 /nfs/dbraw/zinc/76/33/05/463763305.db2.gz PNVKWFLROVZVFL-INIZCTEOSA-N 0 0 327.432 2.104 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)C=Cc2ccccc2)cc(=O)[nH]1 ZINC000257291378 463764871 /nfs/dbraw/zinc/76/48/71/463764871.db2.gz QGSAXSJAFJJYCU-KXPUMZMLSA-N 0 0 325.368 2.104 40 0 EEABRN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)C[C@@H]1CCCCO1 ZINC000257317825 463775240 /nfs/dbraw/zinc/77/52/40/463775240.db2.gz VLIFBPOPUGEGFF-DZGCQCFKSA-N 0 0 348.447 2.124 40 0 EEABRN O=C(c1ccc(Cl)cc1)N1CCOC[C@H](Cc2cncnc2)C1 ZINC000257318526 463775873 /nfs/dbraw/zinc/77/58/73/463775873.db2.gz VOHFBJPMLJLBTM-CQSZACIVSA-N 0 0 331.803 2.461 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cnccn2)C1 ZINC000257322220 463777850 /nfs/dbraw/zinc/77/78/50/463777850.db2.gz WFBSDVFGSKBXSC-HNNXBMFYSA-N 0 0 334.383 2.077 40 0 EEABRN CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)c1ccccc1C)CC2 ZINC000257331782 463780927 /nfs/dbraw/zinc/78/09/27/463780927.db2.gz XUFWEELDQFIFJR-LJQANCHMSA-N 0 0 344.455 2.221 40 0 EEABRN CNc1cncc([C@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)n1 ZINC000257329691 463781393 /nfs/dbraw/zinc/78/13/93/463781393.db2.gz XLBIOKPIPIMBJY-CQSZACIVSA-N 0 0 327.388 2.213 40 0 EEABRN COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(C(N)=O)s1 ZINC000257337357 463784598 /nfs/dbraw/zinc/78/45/98/463784598.db2.gz YSMHIZALWDDDBL-NSHDSACASA-N 0 0 346.412 2.013 40 0 EEABRN COc1ncc(Cl)c(N2CCN(Cc3c(C)noc3C)CC2)n1 ZINC000269111777 463878282 /nfs/dbraw/zinc/87/82/82/463878282.db2.gz XFGPDFJRCGIGLN-UHFFFAOYSA-N 0 0 337.811 2.066 40 0 EEABRN Cc1ccn(CC(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c(=O)c1 ZINC000194777195 463927058 /nfs/dbraw/zinc/92/70/58/463927058.db2.gz LEYMGRLUOMJQMB-RDJZCZTQSA-N 0 0 326.396 2.145 40 0 EEABRN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@@H]1c1cc[nH]n1 ZINC000279252625 464079093 /nfs/dbraw/zinc/07/90/93/464079093.db2.gz UAAWGSMVVBLJDL-SWLSCSKDSA-N 0 0 328.347 2.338 40 0 EEABRN Cc1cnc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 ZINC000172724906 464135507 /nfs/dbraw/zinc/13/55/07/464135507.db2.gz MHYSTPHEXAXRHL-HNNXBMFYSA-N 0 0 343.452 2.425 40 0 EEABRN C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 ZINC000223178681 464137836 /nfs/dbraw/zinc/13/78/36/464137836.db2.gz ZZQVDAFYHIXDDW-PBHICJAKSA-N 0 0 346.452 2.497 40 0 EEABRN CC(C)NC(=O)[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000223193346 464138002 /nfs/dbraw/zinc/13/80/02/464138002.db2.gz WZBHMMUQATUVFV-HNNXBMFYSA-N 0 0 328.412 2.226 40 0 EEABRN Cc1ccc(N(CC(=O)NCC2CCCCC2)S(C)(=O)=O)cc1 ZINC000223620347 464145346 /nfs/dbraw/zinc/14/53/46/464145346.db2.gz PYXNAJQIHMWYJK-UHFFFAOYSA-N 0 0 338.473 2.458 40 0 EEABRN COCc1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000224283042 464150187 /nfs/dbraw/zinc/15/01/87/464150187.db2.gz JCJLQVIHHPXMKI-IYBDPMFKSA-N 0 0 342.395 2.113 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1C ZINC000224266619 464150202 /nfs/dbraw/zinc/15/02/02/464150202.db2.gz GKMXFKNLUJQFOZ-UHFFFAOYSA-N 0 0 340.431 2.489 40 0 EEABRN COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000224674336 464151282 /nfs/dbraw/zinc/15/12/82/464151282.db2.gz LPNLARJRTDTEDN-UHFFFAOYSA-N 0 0 341.335 2.333 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000225182770 464154376 /nfs/dbraw/zinc/15/43/76/464154376.db2.gz DOVMAYXTFBPDMZ-HNNXBMFYSA-N 0 0 326.396 2.229 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000225211360 464154505 /nfs/dbraw/zinc/15/45/05/464154505.db2.gz OSVJFJUBNJSSPO-CQSZACIVSA-N 0 0 344.386 2.368 40 0 EEABRN Cc1ccc(CN(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000225374339 464155418 /nfs/dbraw/zinc/15/54/18/464155418.db2.gz OHOVDYXLJWLKSM-UHFFFAOYSA-N 0 0 346.452 2.420 40 0 EEABRN COC[C@@H](NC(=O)C1CCN(CC(F)F)CC1)c1ccc(C)o1 ZINC000225561647 464172547 /nfs/dbraw/zinc/17/25/47/464172547.db2.gz FYSLCQWTERCZQX-CYBMUJFWSA-N 0 0 330.375 2.369 40 0 EEABRN COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)C[C@H]1C ZINC000225697881 464180617 /nfs/dbraw/zinc/18/06/17/464180617.db2.gz TXSGWJPGYURZQL-DZDCQFRTSA-N 0 0 346.427 2.392 40 0 EEABRN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263913685 464237820 /nfs/dbraw/zinc/23/78/20/464237820.db2.gz NCAWZRPYDLVYDL-OLZOCXBDSA-N 0 0 344.381 2.390 40 0 EEABRN O=S1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000189000350 464412588 /nfs/dbraw/zinc/41/25/88/464412588.db2.gz JPOGURYMNLUTLJ-UHFFFAOYSA-N 0 0 336.226 2.031 40 0 EEABRN Cn1nccc1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000240540865 464446840 /nfs/dbraw/zinc/44/68/40/464446840.db2.gz GPVBTWKXYADLDN-INIZCTEOSA-N 0 0 346.387 2.022 40 0 EEABRN Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(-n3ccnn3)c2)no1 ZINC000241231217 464450618 /nfs/dbraw/zinc/45/06/18/464450618.db2.gz KTBUOSLYMODYQM-CQSZACIVSA-N 0 0 339.359 2.328 40 0 EEABRN CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000243844739 464459387 /nfs/dbraw/zinc/45/93/87/464459387.db2.gz RCVLBTFAQUVVGN-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN Cc1noc(C)c1C(=O)NC[C@H](c1ccco1)N1CCSCC1 ZINC000244986171 464466363 /nfs/dbraw/zinc/46/63/63/464466363.db2.gz JIYXIQJZBHIYMD-CYBMUJFWSA-N 0 0 335.429 2.404 40 0 EEABRN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000175995527 464676923 /nfs/dbraw/zinc/67/69/23/464676923.db2.gz SYYHPIFQUSZSOC-CYBMUJFWSA-N 0 0 349.232 2.110 40 0 EEABRN COc1ccccc1N1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000176066000 464692144 /nfs/dbraw/zinc/69/21/44/464692144.db2.gz UKPJGEUXTWVISF-HOTGVXAUSA-N 0 0 347.459 2.199 40 0 EEABRN Cc1ccc(C(=O)N2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)o1 ZINC000247906351 464712902 /nfs/dbraw/zinc/71/29/02/464712902.db2.gz KETPECMOHMMZPU-INIZCTEOSA-N 0 0 349.427 2.405 40 0 EEABRN Cc1cc(NC(=O)N[C@]2(CO)CCOC2)cnc1N1CCCC[C@@H]1C ZINC000273479667 464718427 /nfs/dbraw/zinc/71/84/27/464718427.db2.gz LBNMQCCUABRIOW-KSSFIOAISA-N 0 0 348.447 2.042 40 0 EEABRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCO1 ZINC000182945533 464763640 /nfs/dbraw/zinc/76/36/40/464763640.db2.gz BMTZBOVMESBLSI-STQMWFEESA-N 0 0 343.210 2.394 40 0 EEABRN CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000176727176 464834149 /nfs/dbraw/zinc/83/41/49/464834149.db2.gz GJQVLCGOVWTYCH-HNNXBMFYSA-N 0 0 349.408 2.287 40 0 EEABRN Cc1cccc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)n1 ZINC000252484252 464961913 /nfs/dbraw/zinc/96/19/13/464961913.db2.gz FSXSMQYVWDZXSH-UHFFFAOYSA-N 0 0 341.346 2.338 40 0 EEABRN Cc1n[nH]c(C)c1CC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000252489356 464966526 /nfs/dbraw/zinc/96/65/26/464966526.db2.gz JORMQEXDFAJKFS-KRWDZBQOSA-N 0 0 331.391 2.433 40 0 EEABRN CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000252500300 464970465 /nfs/dbraw/zinc/97/04/65/464970465.db2.gz SRUGBZYUHSMWSG-CVEARBPZSA-N 0 0 346.475 2.197 40 0 EEABRN C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000252510132 464974958 /nfs/dbraw/zinc/97/49/58/464974958.db2.gz ZCANFORBTDLODC-AWEZNQCLSA-N 0 0 336.457 2.309 40 0 EEABRN CCS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@H]1c1ccc(Br)cc1 ZINC000252514981 464977579 /nfs/dbraw/zinc/97/75/79/464977579.db2.gz FQFLOGFOGDUONG-VWYCJHECSA-N 0 0 348.287 2.252 40 0 EEABRN Cn1cc([C@H]2CSCCN2C(=O)c2cc(C(C)(C)C)nn2C)cn1 ZINC000253431170 465013647 /nfs/dbraw/zinc/01/36/47/465013647.db2.gz QLSPLNSJVMLKTL-CQSZACIVSA-N 0 0 347.488 2.381 40 0 EEABRN Cc1ncsc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000253432910 465014954 /nfs/dbraw/zinc/01/49/54/465014954.db2.gz POHLQHWZQPHVIE-JKSUJKDBSA-N 0 0 345.468 2.064 40 0 EEABRN O=C(c1ccc(Br)o1)N1CCC(n2nccn2)CC1 ZINC000253471211 465015264 /nfs/dbraw/zinc/01/52/64/465015264.db2.gz BNAFYZAIOWCOIL-UHFFFAOYSA-N 0 0 325.166 2.111 40 0 EEABRN CCS(=O)(=O)c1ccc(CNC(=O)c2coc(CC3CC3)n2)cc1 ZINC000192941196 465017991 /nfs/dbraw/zinc/01/79/91/465017991.db2.gz MAKMUQWLPAACFZ-UHFFFAOYSA-N 0 0 348.424 2.351 40 0 EEABRN C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@H]2C(=O)C[C@]2(C)C(=O)[C@@H](O)CC[C@@H]12 ZINC000254759589 465019255 /nfs/dbraw/zinc/01/92/55/465019255.db2.gz VVINKEMRHIOYTI-LWJODQRZSA-N 0 0 334.456 2.499 40 0 EEABRN COc1ccccc1N1CC[C@@H](NC(=O)NC[C@@H](OC)C(C)C)C1 ZINC000362419107 465722320 /nfs/dbraw/zinc/72/23/20/465722320.db2.gz JPDJJTRUNXROAH-RHSMWYFYSA-N 0 0 335.448 2.244 40 0 EEABRN COc1cccc2c1[C@H](C(=O)N1CCCN(C(=O)C3CC3)CC1)CC2 ZINC000348831175 465825366 /nfs/dbraw/zinc/82/53/66/465825366.db2.gz YSWBYQNJEJEMAI-MRXNPFEDSA-N 0 0 342.439 2.196 40 0 EEABRN Cc1cc(=O)c2sccc2n1CCCN1C(=O)NC(C)(C)C1=O ZINC000331527815 466124319 /nfs/dbraw/zinc/12/43/19/466124319.db2.gz MWJPIXDULJNYIE-UHFFFAOYSA-N 0 0 333.413 2.092 40 0 EEABRN Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000408554492 466681411 /nfs/dbraw/zinc/68/14/11/466681411.db2.gz SJKLLHOZSRBSSI-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN Cc1cc(C(F)(F)F)nc(N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)n1 ZINC000377980679 467175697 /nfs/dbraw/zinc/17/56/97/467175697.db2.gz BDWUAAQOSPPODE-GBIKHYSHSA-N 0 0 344.337 2.042 40 0 EEABRN COc1cc(Cc2noc(-c3ccoc3)n2)ccc1S(C)(=O)=O ZINC000390833373 467414449 /nfs/dbraw/zinc/41/44/49/467414449.db2.gz GRVRCSYPAHZJAT-UHFFFAOYSA-N 0 0 334.353 2.333 40 0 EEABRN Cc1cnc([C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C2CC2)s1 ZINC000390834149 467414455 /nfs/dbraw/zinc/41/44/55/467414455.db2.gz SUXUCGMYUHHLAR-CYBMUJFWSA-N 0 0 344.396 2.059 40 0 EEABRN CN1CCN(S(=O)(=O)c2cccnc2C#N)c2cc(Cl)ccc21 ZINC000390835134 467414739 /nfs/dbraw/zinc/41/47/39/467414739.db2.gz DJTGBDHQPONBSO-UHFFFAOYSA-N 0 0 348.815 2.252 40 0 EEABRN O=C(NC[C@H](OCCO)c1cccs1)c1noc2c1CCCC2 ZINC000575606584 468146838 /nfs/dbraw/zinc/14/68/38/468146838.db2.gz MXFKRMKKVGDVGF-ZDUSSCGKSA-N 0 0 336.413 2.095 40 0 EEABRN O=C(Cc1ccccc1F)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575607234 468146930 /nfs/dbraw/zinc/14/69/30/468146930.db2.gz YPVAQNOOOCRQLL-AWEZNQCLSA-N 0 0 333.338 2.367 40 0 EEABRN CCCCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C ZINC000585096653 468964156 /nfs/dbraw/zinc/96/41/56/468964156.db2.gz YHDUGOVQVPVRGC-ZDUSSCGKSA-N 0 0 344.415 2.500 40 0 EEABRN CCOC[C@@H]1CCn2nccc2CN1C(=O)c1ccc(OC)cc1 ZINC000585096714 468964277 /nfs/dbraw/zinc/96/42/77/468964277.db2.gz AZPFGCFRHYJBBH-INIZCTEOSA-N 0 0 329.400 2.343 40 0 EEABRN CC(C)C(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C ZINC000585096514 468964718 /nfs/dbraw/zinc/96/47/18/468964718.db2.gz RHXOXBVXRGNARP-GFCCVEGCSA-N 0 0 346.456 2.434 40 0 EEABRN C[C@@H]1c2nnc(COc3ccccn3)n2CCN1CC1CCOCC1 ZINC000585097685 468966031 /nfs/dbraw/zinc/96/60/31/468966031.db2.gz PKZOJOKYGXTYGV-CQSZACIVSA-N 0 0 343.431 2.055 40 0 EEABRN Cc1cc(C)nc(N2CCC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 ZINC000585101116 468969339 /nfs/dbraw/zinc/96/93/39/468969339.db2.gz FOCPIBMMYJTNLP-GOSISDBHSA-N 0 0 345.447 2.076 40 0 EEABRN COCCN1CC2(CC1=O)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000585099731 468969458 /nfs/dbraw/zinc/96/94/58/468969458.db2.gz FXBSSAAQIHPBNX-UHFFFAOYSA-N 0 0 344.455 2.405 40 0 EEABRN O=C(c1ccc(O)cc1)N1CCc2[nH]nc(-c3cccnc3)c2CC1 ZINC000585110338 468973812 /nfs/dbraw/zinc/97/38/12/468973812.db2.gz HFIKTODSRUNMPA-UHFFFAOYSA-N 0 0 334.379 2.418 40 0 EEABRN Cn1c2ccccc2sc1=NC(=O)c1csc(-c2nc[nH]n2)n1 ZINC000585138808 468989230 /nfs/dbraw/zinc/98/92/30/468989230.db2.gz PFCAFJRSNGANMJ-NBVRZTHBSA-N 0 0 342.409 2.223 40 0 EEABRN Cc1cnccc1CN1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585276517 469000379 /nfs/dbraw/zinc/00/03/79/469000379.db2.gz PKORZAMBMASAHG-IBGZPJMESA-N 0 0 330.403 2.335 40 0 EEABRN O=C(CC[C@H]1CCCO1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585286351 469009627 /nfs/dbraw/zinc/00/96/27/469009627.db2.gz WQGOEFWWEFNMJT-FXRXJOCMSA-N 0 0 333.428 2.280 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cnco3)[C@H]2O)c1 ZINC000585286984 469009981 /nfs/dbraw/zinc/00/99/81/469009981.db2.gz QAMSBCPXLZXFSN-FRFSOERESA-N 0 0 330.384 2.321 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3ncccn3)[C@H]2O)cc1 ZINC000585286476 469010044 /nfs/dbraw/zinc/01/00/44/469010044.db2.gz YPKIXCUKOFMJRV-DJIMGWMZSA-N 0 0 341.411 2.123 40 0 EEABRN Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/c2cnn(C)c2)C[C@@H]1O ZINC000585290736 469011770 /nfs/dbraw/zinc/01/17/70/469011770.db2.gz WBSSGWPKTBPNKC-ZSQQTYLHSA-N 0 0 339.439 2.194 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3c(nnn3C)C2)cc1F ZINC000654484319 471035824 /nfs/dbraw/zinc/03/58/24/471035824.db2.gz FWVSERDEQVQPKC-DGCLKSJQSA-N 0 0 331.395 2.180 40 0 EEABRN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)[C@@H](c2ccccc2)CO1 ZINC000679445116 485697790 /nfs/dbraw/zinc/69/77/90/485697790.db2.gz OYVZKVWRVMIGQS-CZUORRHYSA-N 0 0 326.400 2.145 40 0 EEABRN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249223142 490706172 /nfs/dbraw/zinc/70/61/72/490706172.db2.gz FVALOBQGAPIFRV-JGVFFNPUSA-N 0 0 349.275 2.037 40 0 EEABRN O=C(NCCO)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191573149 534367805 /nfs/dbraw/zinc/36/78/05/534367805.db2.gz JQBHSOPBQISIOI-UHFFFAOYSA-N 0 0 343.099 2.462 40 0 EEABRN Cc1nc(-c2ccccc2C)sc1CNC(=O)[C@H]1CCC(=O)N1 ZINC000096024522 526606465 /nfs/dbraw/zinc/60/64/65/526606465.db2.gz QTIMIFBUUIUXHQ-CYBMUJFWSA-N 0 0 329.425 2.322 40 0 EEABRN CC(=O)NC[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CCO1 ZINC000179712498 526781993 /nfs/dbraw/zinc/78/19/93/526781993.db2.gz WMZUPOPUDXYRAG-GFCCVEGCSA-N 0 0 334.313 2.181 40 0 EEABRN CCC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 ZINC000257220447 535300430 /nfs/dbraw/zinc/30/04/30/535300430.db2.gz DKWIQOLITLPDBZ-AWEZNQCLSA-N 0 0 327.432 2.377 40 0 EEABRN COCCNC(=S)Nc1nc(C)cc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000225899195 536892115 /nfs/dbraw/zinc/89/21/15/536892115.db2.gz GGYNKSXEWAREOK-TXEJJXNPSA-N 0 0 337.493 2.200 40 0 EEABRN COc1ccccc1N1CCN(C(=S)NCc2ccco2)CC1 ZINC000000414876 537068504 /nfs/dbraw/zinc/06/85/04/537068504.db2.gz UBNNEHZNEGYHJI-UHFFFAOYSA-N 0 0 331.441 2.485 40 0 EEABRN NC(=O)c1cc(N2CCC[C@H]2c2cncc(Br)c2)ncn1 ZINC000895703824 684689728 /nfs/dbraw/zinc/68/97/28/684689728.db2.gz GXWCKCIKDAFGEH-LBPRGKRZSA-N 0 0 348.204 2.075 40 0 EEABRN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2ncc(C)cc21 ZINC000585141648 1184703964 /nfs/dbraw/zinc/70/39/64/1184703964.db2.gz WQHLJTHEVNZRIQ-CZUORRHYSA-N 0 0 326.400 2.273 40 0 EEABRN Cc1cc(F)ccc1CN(C)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000935634059 1208189541 /nfs/dbraw/zinc/18/95/41/1208189541.db2.gz OVGIBXUPJNEKDX-UHFFFAOYSA-N 0 0 336.388 2.205 40 0 EEABRN CC1=NN(C(=O)c2cc(Br)ccc2O)[C@@](O)(C(F)F)C1 ZINC000013989302 1352319509 /nfs/dbraw/zinc/31/95/09/1352319509.db2.gz XDVMIHIIROKDKR-LBPRGKRZSA-N 0 0 349.131 2.330 40 0 EEABRN O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnccn1 ZINC000027933390 1352373872 /nfs/dbraw/zinc/37/38/72/1352373872.db2.gz XWVKUTYZHSYUPS-UHFFFAOYSA-N 0 0 339.321 2.389 40 0 EEABRN COc1ccc(-c2cc3c(N4CCOCC4)nccn3n2)cc1OC ZINC000067285307 1354095029 /nfs/dbraw/zinc/09/50/29/1354095029.db2.gz DREUZEOEFGSALS-UHFFFAOYSA-N 0 0 340.383 2.250 40 0 EEABRN CCCCOCCCNC(=O)CCC(=O)NCCc1ccccc1 ZINC000199421584 1406141884 /nfs/dbraw/zinc/14/18/84/1406141884.db2.gz YCYHGVLBZYIKQU-UHFFFAOYSA-N 0 0 334.460 2.449 40 0 EEABRN COc1ccc(CNC(=O)c2ccc(Cn3cccn3)o2)cc1OC ZINC000027981531 776064242 /nfs/dbraw/zinc/06/42/42/776064242.db2.gz XIBXJZWFHQOHAP-UHFFFAOYSA-N 0 0 341.367 2.472 40 0 EEABRN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c(F)cncc1F ZINC000929965401 798105791 /nfs/dbraw/zinc/10/57/91/798105791.db2.gz URDBNOHCKKFSLQ-JTQLQIEISA-N 0 0 341.383 2.200 40 0 EEABRN CC[C@H](NC(=O)Cc1ccon1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473765 529483108 /nfs/dbraw/zinc/48/31/08/529483108.db2.gz HFIDIVYWVYHBCN-ZWKOTPCHSA-N 0 0 343.427 2.013 40 0 EEABRN Cc1cccc([C@H]2[C@@H](n3cnnn3)C(=O)N2Cc2ccsc2)c1 ZINC000058162420 214488220 /nfs/dbraw/zinc/48/82/20/214488220.db2.gz IVOFDNAIUTUDMV-LSDHHAIUSA-N 0 0 325.397 2.368 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)N1CCc3ccccc3C1)C(=O)CO2 ZINC000004375208 210184022 /nfs/dbraw/zinc/18/40/22/210184022.db2.gz GRKILOFMKQACRW-UHFFFAOYSA-N 0 0 336.391 2.305 40 0 EEABRN CCc1cc(C(=O)OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000004196652 210143659 /nfs/dbraw/zinc/14/36/59/210143659.db2.gz CYHGZIVWKOOGOU-FQPOAREZSA-N 0 0 331.393 2.409 40 0 EEABRN CN(C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000047363152 213845957 /nfs/dbraw/zinc/84/59/57/213845957.db2.gz JPSCEFPVONWDAZ-UHFFFAOYSA-N 0 0 348.424 2.124 40 0 EEABRN CCNC(=S)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004132718 210127350 /nfs/dbraw/zinc/12/73/50/210127350.db2.gz MUJNPYTZDLOELB-UHFFFAOYSA-N 0 0 347.484 2.224 40 0 EEABRN C[C@@H](c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1 ZINC000004093556 210118909 /nfs/dbraw/zinc/11/89/09/210118909.db2.gz AHCPUFSDLGPMEN-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN COc1ccc(CCNC(=O)c2cn(Cc3ccccc3)nn2)cc1 ZINC000044896123 213665608 /nfs/dbraw/zinc/66/56/08/213665608.db2.gz GOECHHMFGHVVHP-UHFFFAOYSA-N 0 0 336.395 2.308 40 0 EEABRN CCn1nnc2cc(C(=O)NCCc3ccc4c(c3)OCO4)ccc21 ZINC000044870010 213654912 /nfs/dbraw/zinc/65/49/12/213654912.db2.gz QIRMDOFZBCSIAR-UHFFFAOYSA-N 0 0 338.367 2.152 40 0 EEABRN COCCN(CC(F)F)Cn1nc(C)c(Br)c1C ZINC000068618179 215323474 /nfs/dbraw/zinc/32/34/74/215323474.db2.gz SUYMBZBZSOPWSD-UHFFFAOYSA-N 0 0 326.185 2.433 40 0 EEABRN CCOC(=O)N1CCN(C(=O)CCn2ncc3ccc(C)cc32)CC1 ZINC000040759107 213382598 /nfs/dbraw/zinc/38/25/98/213382598.db2.gz CCQXTVURDGCZGA-UHFFFAOYSA-N 0 0 344.415 2.036 40 0 EEABRN Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000040486292 213316596 /nfs/dbraw/zinc/31/65/96/213316596.db2.gz LTLYHPKHKJWYST-NSHDSACASA-N 0 0 346.408 2.392 40 0 EEABRN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 ZINC000040462561 213307755 /nfs/dbraw/zinc/30/77/55/213307755.db2.gz CRFUEEILPVFJFZ-OAHLLOKOSA-N 0 0 341.367 2.481 40 0 EEABRN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000000809703 209688283 /nfs/dbraw/zinc/68/82/83/209688283.db2.gz VRTIVWSHWPEXJK-HNNXBMFYSA-N 0 0 334.372 2.283 40 0 EEABRN Cc1[nH]c2ccccc2c1CCNC(=O)N(C)CC1(O)CCOCC1 ZINC000188441200 236552167 /nfs/dbraw/zinc/55/21/67/236552167.db2.gz CYCOHHMAAAJVJM-UHFFFAOYSA-N 0 0 345.443 2.202 40 0 EEABRN CC(C)c1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cs1 ZINC000033657105 212957966 /nfs/dbraw/zinc/95/79/66/212957966.db2.gz FJKQYGRTKJGUGS-IOQCUFBNSA-N 0 0 330.409 2.323 40 0 EEABRN Cc1cccc(OC[C@H](C)NC(=O)[C@H]2CCCN2c2ncccn2)c1 ZINC000096446777 237057218 /nfs/dbraw/zinc/05/72/18/237057218.db2.gz FMXDJDXJYJQWHC-DOTOQJQBSA-N 0 0 340.427 2.338 40 0 EEABRN Cc1cc(C(=O)OCCNc2ccc(-c3ccccc3)nn2)nn1C ZINC000096460984 237060377 /nfs/dbraw/zinc/06/03/77/237060377.db2.gz DSJBGAJUJTUMDO-UHFFFAOYSA-N 0 0 337.383 2.454 40 0 EEABRN O=S(=O)(c1cccc(NCc2nnnn2C2CC2)c1)C1CCCC1 ZINC000096460580 237062323 /nfs/dbraw/zinc/06/23/23/237062323.db2.gz RPQDZDAYKZTLFL-UHFFFAOYSA-N 0 0 347.444 2.336 40 0 EEABRN Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072360046 216166386 /nfs/dbraw/zinc/16/63/86/216166386.db2.gz TUXYBUWJWROIPW-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN COc1ccc(C(=O)NCCn2c(C)nc3cccnc32)cc1OC ZINC000072346455 216159833 /nfs/dbraw/zinc/15/98/33/216159833.db2.gz OXDARLFKFFMEHR-UHFFFAOYSA-N 0 0 340.383 2.187 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@@H](Cc3ccc(NC)nn3)C2)on1 ZINC000072369235 216175712 /nfs/dbraw/zinc/17/57/12/216175712.db2.gz NCBGAEAXFOWAGJ-LBPRGKRZSA-N 0 0 329.404 2.164 40 0 EEABRN CC(C)S(=O)(=O)N1CCC[C@H]1c1nccnc1Nc1ccccn1 ZINC000072384840 216185374 /nfs/dbraw/zinc/18/53/74/216185374.db2.gz BTEHLHRNZLYADF-ZDUSSCGKSA-N 0 0 347.444 2.490 40 0 EEABRN CCCn1nc(Oc2nc(NC(C)C)nc(NC(C)C)n2)ccc1=O ZINC000027666731 212573020 /nfs/dbraw/zinc/57/30/20/212573020.db2.gz MDJDMECEVVPFPV-UHFFFAOYSA-N 0 0 347.423 2.271 40 0 EEABRN C[C@H](CC1CCCC1)C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000072569903 216276444 /nfs/dbraw/zinc/27/64/44/216276444.db2.gz ZTJKAEYFWHGJMA-KBAYOESNSA-N 0 0 338.492 2.056 40 0 EEABRN COCCN1CC2(CCC1=O)CCN(C(=O)c1occc1C)CC2 ZINC000108530650 219899722 /nfs/dbraw/zinc/89/97/22/219899722.db2.gz YSTTWSPLCPMKGS-UHFFFAOYSA-N 0 0 334.416 2.079 40 0 EEABRN Cc1ccc([C@@H](C)NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)o1 ZINC000193453423 240172125 /nfs/dbraw/zinc/17/21/25/240172125.db2.gz GXGMMRDFPFDQPJ-GFCCVEGCSA-N 0 0 328.434 2.258 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)Nc1cnc(N2CCCC2)nc1 ZINC000075161990 216591431 /nfs/dbraw/zinc/59/14/31/216591431.db2.gz AVISDYSKJZNGCF-UHFFFAOYSA-N 0 0 341.371 2.492 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccco1)C1CCN(CC(F)(F)F)CC1 ZINC000193861396 240338657 /nfs/dbraw/zinc/33/86/57/240338657.db2.gz LVXZFWGSWFIZHU-SNVBAGLBSA-N 0 0 340.367 2.221 40 0 EEABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218487554 241327168 /nfs/dbraw/zinc/32/71/68/241327168.db2.gz KGOMHKWVBJQRJM-MBNYWOFBSA-N 0 0 347.889 2.159 40 0 EEABRN Cc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1F ZINC000224220562 241740307 /nfs/dbraw/zinc/74/03/07/241740307.db2.gz AVWBNTQXBUCVJS-UHFFFAOYSA-N 0 0 345.378 2.082 40 0 EEABRN CCNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2F)CC1 ZINC000225489072 241895039 /nfs/dbraw/zinc/89/50/39/241895039.db2.gz LVVPVSZXHTVVPQ-UHFFFAOYSA-N 0 0 342.418 2.484 40 0 EEABRN Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000225556917 241926126 /nfs/dbraw/zinc/92/61/26/241926126.db2.gz URXUJPZAGHJZSU-NSHDSACASA-N 0 0 349.797 2.250 40 0 EEABRN CS(=O)(=O)N[C@H](CC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000225944933 242079057 /nfs/dbraw/zinc/07/90/57/242079057.db2.gz RQUDLWKNWSVZRL-OAHLLOKOSA-N 0 0 342.436 2.255 40 0 EEABRN CCn1nc(C)cc1CNC(=O)c1cc(OC)nn1-c1ccccc1 ZINC000227162657 242125175 /nfs/dbraw/zinc/12/51/75/242125175.db2.gz SFOKCAGNTCBNPM-UHFFFAOYSA-N 0 0 339.399 2.336 40 0 EEABRN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1Cl ZINC000245237775 243101773 /nfs/dbraw/zinc/10/17/73/243101773.db2.gz WKACAFUZWGHEDL-RRFJBIMHSA-N 0 0 349.814 2.169 40 0 EEABRN CCO[C@@H]1CCOC2(CN(S(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000248377444 243563016 /nfs/dbraw/zinc/56/30/16/243563016.db2.gz GQOBPLAGGJQYGQ-GFCCVEGCSA-N 0 0 345.848 2.299 40 0 EEABRN O=C(NCCc1cccc(Cl)c1)N[C@H]1CCC(=O)NC12CCC2 ZINC000252488893 243789715 /nfs/dbraw/zinc/78/97/15/243789715.db2.gz JBGISCCHLUYFQZ-AWEZNQCLSA-N 0 0 335.835 2.383 40 0 EEABRN Cc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2CCC(=O)NC23CCC3)o1 ZINC000252491265 243800005 /nfs/dbraw/zinc/80/00/05/243800005.db2.gz LKBILXMKIFNXQD-IUODEOHRSA-N 0 0 333.432 2.410 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 ZINC000257202358 244123221 /nfs/dbraw/zinc/12/32/21/244123221.db2.gz ALKMBIXAMWDTHA-LJQANCHMSA-N 0 0 337.423 2.416 40 0 EEABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257208285 244138625 /nfs/dbraw/zinc/13/86/25/244138625.db2.gz BLMWWOPBKUDPFZ-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@H](O)c1ccco1 ZINC000077111782 216840038 /nfs/dbraw/zinc/84/00/38/216840038.db2.gz RQKWMHNNQHXFFV-ZDUSSCGKSA-N 0 0 339.413 2.307 40 0 EEABRN CCc1nccn1CC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257224296 244194168 /nfs/dbraw/zinc/19/41/68/244194168.db2.gz FBELIBKNUWARQQ-MRXNPFEDSA-N 0 0 335.411 2.426 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257228012 244208375 /nfs/dbraw/zinc/20/83/75/244208375.db2.gz FRYRZDLLDHRONB-MRXNPFEDSA-N 0 0 326.400 2.051 40 0 EEABRN CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cncs2)ccn1 ZINC000257221269 244184032 /nfs/dbraw/zinc/18/40/32/244184032.db2.gz DOFMTZPAHGZIKG-CQSZACIVSA-N 0 0 330.413 2.152 40 0 EEABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257245794 244255055 /nfs/dbraw/zinc/25/50/55/244255055.db2.gz IRCOOLKRTHXITG-CQSZACIVSA-N 0 0 327.384 2.140 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)nc(C)n1 ZINC000257245096 244256618 /nfs/dbraw/zinc/25/66/18/244256618.db2.gz IOBLWNHLIHETGF-QGZVFWFLSA-N 0 0 326.400 2.021 40 0 EEABRN COc1cc(CCC(=O)N2CCN(C)[C@H](c3ccccc3)C2)on1 ZINC000257255540 244282389 /nfs/dbraw/zinc/28/23/89/244282389.db2.gz KHWDLJNECKNFRS-INIZCTEOSA-N 0 0 329.400 2.131 40 0 EEABRN COCC(=O)N1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000257265184 244359506 /nfs/dbraw/zinc/35/95/06/244359506.db2.gz LXQORDJNGKZOFW-AWEZNQCLSA-N 0 0 327.388 2.315 40 0 EEABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000257274712 244389442 /nfs/dbraw/zinc/38/94/42/244389442.db2.gz NMIDAVJRCFZIMA-CQSZACIVSA-N 0 0 327.384 2.477 40 0 EEABRN CC(C)c1nc2ccc(NC(=O)[C@@H]3CCC(=O)NC(=O)N3)cc2s1 ZINC000019453831 212028352 /nfs/dbraw/zinc/02/83/52/212028352.db2.gz VOXPVBZVTKFBPR-NSHDSACASA-N 0 0 346.412 2.346 40 0 EEABRN CCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@@H](C)CS(=O)(=O)CC ZINC000079041688 284224474 /nfs/dbraw/zinc/22/44/74/284224474.db2.gz GCAFMJZTGSJTLF-GXSJLCMTSA-N 0 0 330.277 2.242 40 0 EEABRN CC(C)[S@@](=O)c1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000078029496 217012849 /nfs/dbraw/zinc/01/28/49/217012849.db2.gz RKLMHBNPDBFCFX-GYCJOSAFSA-N 0 0 344.436 2.159 40 0 EEABRN COCC(=O)N[C@H](C(=O)N1CC=C(c2ccccc2)CC1)C(C)C ZINC000078061396 217017658 /nfs/dbraw/zinc/01/76/58/217017658.db2.gz SDUKZZDADZWQSZ-SFHVURJKSA-N 0 0 330.428 2.090 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1ccnc2ncnn21 ZINC000019333273 212016719 /nfs/dbraw/zinc/01/67/19/212016719.db2.gz DMTXNAMCVLMHTK-CQSZACIVSA-N 0 0 325.347 2.170 40 0 EEABRN C[C@@H]1CN(Cc2cccc(NC(=O)c3cnccn3)c2)C[C@H](C)O1 ZINC000078152823 217026313 /nfs/dbraw/zinc/02/63/13/217026313.db2.gz KYSMPISUMPOWEA-OKILXGFUSA-N 0 0 326.400 2.338 40 0 EEABRN Cc1cn(CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)nn1 ZINC000019238753 212008483 /nfs/dbraw/zinc/00/84/83/212008483.db2.gz HLHSWQJTFWEFED-CQSZACIVSA-N 0 0 332.379 2.043 40 0 EEABRN Cc1ccc(-c2noc([C@H]3CCN3C(=O)c3ccn(C)n3)n2)s1 ZINC000019217556 212005479 /nfs/dbraw/zinc/00/54/79/212005479.db2.gz QXQDFQLMFXRUSU-LLVKDONJSA-N 0 0 329.385 2.427 40 0 EEABRN C[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000078444203 217053253 /nfs/dbraw/zinc/05/32/53/217053253.db2.gz ARPDVBIRMGQVPG-QMMMGPOBSA-N 0 0 349.143 2.291 40 0 EEABRN CCO[C@H](C)c1noc(CNc2ncc(Br)cn2)n1 ZINC000078459138 217055588 /nfs/dbraw/zinc/05/55/88/217055588.db2.gz JSSRJNVTJOSPMV-SSDOTTSWSA-N 0 0 328.170 2.332 40 0 EEABRN COc1ccc(CN(C)C(=O)C(=O)Nc2cnccc2C)cc1F ZINC000078554186 217074752 /nfs/dbraw/zinc/07/47/52/217074752.db2.gz UOEJVABJGPZMIM-UHFFFAOYSA-N 0 0 331.347 2.135 40 0 EEABRN CCOc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000078556368 217076165 /nfs/dbraw/zinc/07/61/65/217076165.db2.gz SCNMHQYHFYBPMI-NSHDSACASA-N 0 0 338.385 2.183 40 0 EEABRN COC(=O)[C@H](CNC(=O)c1c(F)cccc1F)Cc1ccc(O)cc1 ZINC000078678276 217100078 /nfs/dbraw/zinc/10/00/78/217100078.db2.gz DJTLYRLEQYBHAE-LBPRGKRZSA-N 0 0 349.333 2.432 40 0 EEABRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000078768643 217115557 /nfs/dbraw/zinc/11/55/57/217115557.db2.gz OLTXXGRBGBLOJV-RDJZCZTQSA-N 0 0 343.379 2.445 40 0 EEABRN Cc1occc1CNC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000079028306 217177358 /nfs/dbraw/zinc/17/73/58/217177358.db2.gz KAIKPDXBSYTKHU-CQSZACIVSA-N 0 0 331.347 2.332 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1C ZINC000079046641 217180735 /nfs/dbraw/zinc/18/07/35/217180735.db2.gz FALAZBMVKHXPAP-INIZCTEOSA-N 0 0 332.469 2.483 40 0 EEABRN Cc1cc(C)n(-c2cncc(N[C@@H](C)C(=O)N3CCCC[C@@H]3C)n2)n1 ZINC000079353878 217213899 /nfs/dbraw/zinc/21/38/99/217213899.db2.gz MNCDOUNDVQYJNZ-ZFWWWQNUSA-N 0 0 342.447 2.481 40 0 EEABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccnc2Cl)C1 ZINC000079439197 217225291 /nfs/dbraw/zinc/22/52/91/217225291.db2.gz LKFDLCJWTMCHKK-SNVBAGLBSA-N 0 0 325.796 2.474 40 0 EEABRN Cc1ccc([C@](C)(O)CNC(=O)c2cc(Br)cn2C)o1 ZINC000081834397 217450520 /nfs/dbraw/zinc/45/05/20/217450520.db2.gz CBUDWDTUNSYCOY-CQSZACIVSA-N 0 0 341.205 2.327 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc(Oc2ccccc2)cc1 ZINC000085469286 217670792 /nfs/dbraw/zinc/67/07/92/217670792.db2.gz XVUWLRGLEXEMPP-IIDMSEBBSA-N 0 0 327.380 2.341 40 0 EEABRN CCCc1nnsc1C(=O)NCc1cc(-c2ccncc2)n(C)n1 ZINC000085556293 217676894 /nfs/dbraw/zinc/67/68/94/217676894.db2.gz LGMFTPFBIQRGJC-UHFFFAOYSA-N 0 0 342.428 2.216 40 0 EEABRN Cc1nnnn1-c1cc(NCc2noc(CC(C)C)n2)ccc1F ZINC000086205806 217693117 /nfs/dbraw/zinc/69/31/17/217693117.db2.gz MAUDLULJXLQIAJ-UHFFFAOYSA-N 0 0 331.355 2.303 40 0 EEABRN CC(C)[C@H](O)CC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000089391464 217792955 /nfs/dbraw/zinc/79/29/55/217792955.db2.gz VFSGXSRZDUGDKW-QWHCGFSZSA-N 0 0 346.349 2.487 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC000096055469 296264674 /nfs/dbraw/zinc/26/46/74/296264674.db2.gz FWQUZWZOFHFPQI-BHYGNILZSA-N 0 0 339.395 2.175 40 0 EEABRN C[C@H](NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O)c1ccc2c(c1)CCC2 ZINC000012194894 211317136 /nfs/dbraw/zinc/31/71/36/211317136.db2.gz VQOKUZCUXWGSLG-RYUDHWBXSA-N 0 0 343.427 2.071 40 0 EEABRN Cc1nonc1CC(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 ZINC000012119859 211297813 /nfs/dbraw/zinc/29/78/13/211297813.db2.gz SDJRERWUJQGUPH-LLVKDONJSA-N 0 0 344.415 2.440 40 0 EEABRN C[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccnc2)n[nH]1 ZINC000012114742 211294473 /nfs/dbraw/zinc/29/44/73/211294473.db2.gz CUYPDQXPWJOJPN-LLVKDONJSA-N 0 0 325.347 2.426 40 0 EEABRN COc1ccccc1-c1cc(C(=O)NCCn2ccnc2C)no1 ZINC000012147312 211308161 /nfs/dbraw/zinc/30/81/61/211308161.db2.gz UFHSOSFMUVGUEU-UHFFFAOYSA-N 0 0 326.356 2.285 40 0 EEABRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1cnnn1C ZINC000091962091 218094828 /nfs/dbraw/zinc/09/48/28/218094828.db2.gz CWNRFIDLQONCDW-BEFAXECRSA-N 0 0 342.491 2.251 40 0 EEABRN Cc1c(Cl)cccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000009225481 211054927 /nfs/dbraw/zinc/05/49/27/211054927.db2.gz XDTHAGOHBDLGNB-RRFJBIMHSA-N 0 0 335.835 2.376 40 0 EEABRN CCNC(=O)c1cc(N2CCN(c3cccc(Cl)n3)CC2)ccn1 ZINC000095395756 218327347 /nfs/dbraw/zinc/32/73/47/218327347.db2.gz MODFASSEVXPNRP-UHFFFAOYSA-N 0 0 345.834 2.206 40 0 EEABRN CC(C)O[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 ZINC000096041917 218525673 /nfs/dbraw/zinc/52/56/73/218525673.db2.gz YWSFDURDRZQEFO-ZSZQSSIHSA-N 0 0 347.411 2.141 40 0 EEABRN O=C(c1cccs1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 ZINC000096058680 218550666 /nfs/dbraw/zinc/55/06/66/218550666.db2.gz XGGPCAUESGNWCY-LBPRGKRZSA-N 0 0 329.425 2.283 40 0 EEABRN CCCS(=O)(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074076 218572748 /nfs/dbraw/zinc/57/27/48/218572748.db2.gz HQCNWCKRSOARTC-HNNXBMFYSA-N 0 0 342.486 2.307 40 0 EEABRN Cn1cccc1C(=O)N1CCC2(CO[C@H](COCC3CC3)C2)CC1 ZINC000096105981 218598400 /nfs/dbraw/zinc/59/84/00/218598400.db2.gz OAMFQFPPBNKOAK-INIZCTEOSA-N 0 0 332.444 2.463 40 0 EEABRN Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109008 218603822 /nfs/dbraw/zinc/60/38/22/218603822.db2.gz HQNPVQDBYPYSID-BEFAXECRSA-N 0 0 342.395 2.288 40 0 EEABRN Cc1ccc(N2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)nn1 ZINC000096158164 218633281 /nfs/dbraw/zinc/63/32/81/218633281.db2.gz FIMLBHSUJZDDKP-LJQANCHMSA-N 0 0 337.427 2.313 40 0 EEABRN O=C(CC1CC1)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 ZINC000096159170 218634692 /nfs/dbraw/zinc/63/46/92/218634692.db2.gz PJYFKPRZBQDJNJ-UHFFFAOYSA-N 0 0 334.441 2.273 40 0 EEABRN CC(C)CCN1CCc2c([nH]nc2C(=O)N(C)Cc2ccccn2)C1 ZINC000096187461 218654348 /nfs/dbraw/zinc/65/43/48/218654348.db2.gz CYVYTJXWUWJNLS-UHFFFAOYSA-N 0 0 341.459 2.481 40 0 EEABRN O=C(CSc1ncccc1Br)NC1CCOCC1 ZINC000096411958 218767850 /nfs/dbraw/zinc/76/78/50/218767850.db2.gz YQXJCXCFKMEXGP-UHFFFAOYSA-N 0 0 331.235 2.231 40 0 EEABRN O=C(CCNC(=O)C1(c2ccccc2F)CC1)NCc1ccncc1 ZINC000096412006 218768029 /nfs/dbraw/zinc/76/80/29/218768029.db2.gz ONDAOLDBYPOXTL-UHFFFAOYSA-N 0 0 341.386 2.075 40 0 EEABRN CSC[C@@H](C)N(C)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000096413381 218770471 /nfs/dbraw/zinc/77/04/71/218770471.db2.gz BZFSLUGNVHQHBJ-SSDOTTSWSA-N 0 0 334.239 2.353 40 0 EEABRN Cn1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1=O ZINC000096417230 218779485 /nfs/dbraw/zinc/77/94/85/218779485.db2.gz JGHDKONVKPHCAE-AWEZNQCLSA-N 0 0 345.374 2.368 40 0 EEABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@H]21 ZINC000005841809 210544859 /nfs/dbraw/zinc/54/48/59/210544859.db2.gz INTCVMYMFRDPEA-GVRJEKJASA-N 0 0 334.368 2.266 40 0 EEABRN O=C(NCC1(c2ccc(F)cc2)CCC1)NC[C@]1(O)CCSC1 ZINC000096447327 218830595 /nfs/dbraw/zinc/83/05/95/218830595.db2.gz KVLXAJSLCMZAGZ-QGZVFWFLSA-N 0 0 338.448 2.415 40 0 EEABRN CN(C)c1cccc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC000096449127 218831299 /nfs/dbraw/zinc/83/12/99/218831299.db2.gz CXNRZGJYFXCJGZ-UHFFFAOYSA-N 0 0 345.834 2.158 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)n1 ZINC000096449739 218832435 /nfs/dbraw/zinc/83/24/35/218832435.db2.gz ZMGRXBYUSTYZDO-GDBMZVCRSA-N 0 0 340.427 2.145 40 0 EEABRN C[C@H](Nc1cccc(NC(=O)CO)c1)c1cn(-c2ccccc2)nn1 ZINC000096472234 218850468 /nfs/dbraw/zinc/85/04/68/218850468.db2.gz AVTZRBFJHIQVPX-ZDUSSCGKSA-N 0 0 337.383 2.371 40 0 EEABRN CCn1nc(C)cc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000096454890 218839574 /nfs/dbraw/zinc/83/95/74/218839574.db2.gz BWJFECSFOFABHV-UHFFFAOYSA-N 0 0 342.447 2.017 40 0 EEABRN COC(=O)[C@H]1CCCN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1 ZINC000096500427 218876726 /nfs/dbraw/zinc/87/67/26/218876726.db2.gz IEGGZFIYVMUTRE-NSHDSACASA-N 0 0 344.333 2.241 40 0 EEABRN CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCOC ZINC000004902314 210318202 /nfs/dbraw/zinc/31/82/02/210318202.db2.gz DFTWKVXYZJNVSG-ZCFIWIBFSA-N 0 0 341.216 2.148 40 0 EEABRN COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)cc1 ZINC000004890153 210313302 /nfs/dbraw/zinc/31/33/02/210313302.db2.gz DITHSKWOZZHYKH-UHFFFAOYSA-N 0 0 348.428 2.108 40 0 EEABRN Cc1cc(C)nc(-n2cc(C(=O)N[C@H]3CCCOC3)c(C(C)C)n2)n1 ZINC000096430938 291872186 /nfs/dbraw/zinc/87/21/86/291872186.db2.gz NAFIWXTUHDPGSZ-AWEZNQCLSA-N 0 0 343.431 2.311 40 0 EEABRN O=C1N[C@H](c2cc(Br)cc3c2OCC3)N2CCCC[C@@H]12 ZINC000097378386 296394192 /nfs/dbraw/zinc/39/41/92/296394192.db2.gz JXROPFQAAAPSBZ-JSGCOSHPSA-N 0 0 337.217 2.367 40 0 EEABRN O=C(NCc1ccccc1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC000306140931 257924562 /nfs/dbraw/zinc/92/45/62/257924562.db2.gz VGZPYNAZPDLWRF-IRXDYDNUSA-N 0 0 327.428 2.372 40 0 EEABRN CC(C)[C@H](C(=O)N(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000330032283 258002440 /nfs/dbraw/zinc/00/24/40/258002440.db2.gz LFQZWAMDNCBDRL-GFCCVEGCSA-N 0 0 348.262 2.336 40 0 EEABRN COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](C)CO ZINC000191446921 533491193 /nfs/dbraw/zinc/49/11/93/533491193.db2.gz VFPJWQKCNLAPBN-DTWKUNHWSA-N 0 0 331.210 2.199 40 0 EEABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000049649640 132431496 /nfs/dbraw/zinc/43/14/96/132431496.db2.gz QUBQOQCOSMCFOK-UHFFFAOYSA-N 0 0 346.408 2.405 40 0 EEABRN Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12 ZINC000005740992 135672778 /nfs/dbraw/zinc/67/27/78/135672778.db2.gz LSLWRKIHIDSTKO-UHFFFAOYSA-N 0 0 333.395 2.174 40 0 EEABRN COC(OC)[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O ZINC000004897454 292081372 /nfs/dbraw/zinc/08/13/72/292081372.db2.gz QJLGFIZQOLSKNG-IBGZPJMESA-N 0 0 340.379 2.253 40 0 EEABRN O=C([C@@H]1CSCCS1)N1Cc2cnnn2Cc2ccccc21 ZINC000189303620 304377892 /nfs/dbraw/zinc/37/78/92/304377892.db2.gz ZIQYYHCIXRLPIH-AWEZNQCLSA-N 0 0 332.454 2.022 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)cn3)OCC(=O)N2C)cc1 ZINC000096181492 292279984 /nfs/dbraw/zinc/27/99/84/292279984.db2.gz SXVWRWRPPCHEDG-ROUUACIJSA-N 0 0 339.395 2.235 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCC[C@H](O)C(F)(F)F)C12CCCC2 ZINC000096440933 286360522 /nfs/dbraw/zinc/36/05/22/286360522.db2.gz NDVTVLAAVJPCQP-SDDRHHMPSA-N 0 0 338.370 2.337 40 0 EEABRN C[C@H](c1cccc(Br)c1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000291923516 275354137 /nfs/dbraw/zinc/35/41/37/275354137.db2.gz NNNZBTPSHLBMEO-ZJUUUORDSA-N 0 0 348.262 2.402 40 0 EEABRN CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000072238245 276382061 /nfs/dbraw/zinc/38/20/61/276382061.db2.gz CSARYEUKLOWHAF-PKOBYXMFSA-N 0 0 343.471 2.069 40 0 EEABRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CCC(C)C)C1 ZINC000096244489 279088446 /nfs/dbraw/zinc/08/84/46/279088446.db2.gz HXCIZJBIJNMTOI-IBGZPJMESA-N 0 0 346.475 2.288 40 0 EEABRN CCN(CCS(C)(=O)=O)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000096483869 279211789 /nfs/dbraw/zinc/21/17/89/279211789.db2.gz DLPZOWAUCPAJBZ-ZDUSSCGKSA-N 0 0 337.445 2.473 40 0 EEABRN Cc1ccc(CNC(=O)c2cc3c(s2)CCN3C(=O)CN(C)C)o1 ZINC000096087928 280825968 /nfs/dbraw/zinc/82/59/68/280825968.db2.gz LVQDGLFXCRVYBQ-UHFFFAOYSA-N 0 0 347.440 2.030 40 0 EEABRN Cc1cccnc1N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC000096093281 281413186 /nfs/dbraw/zinc/41/31/86/281413186.db2.gz DELLWHWCFOUNIP-GOSISDBHSA-N 0 0 325.416 2.147 40 0 EEABRN CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)C1CCCCC1 ZINC000020047655 288801227 /nfs/dbraw/zinc/80/12/27/288801227.db2.gz CCUYNXWSOXTZIP-UHFFFAOYSA-N 0 0 342.436 2.383 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@H]1c1ccccc1F ZINC000057355228 289792219 /nfs/dbraw/zinc/79/22/19/289792219.db2.gz WOBCHFPMJINFNQ-CZUORRHYSA-N 0 0 336.432 2.311 40 0 EEABRN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1 ZINC000218552471 301776005 /nfs/dbraw/zinc/77/60/05/301776005.db2.gz ISXIZBZONDYGSW-JFIYKMOQSA-N 0 0 345.420 2.025 40 0 EEABRN CC[C@H](C)Oc1cc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)ccn1 ZINC000332257919 311978572 /nfs/dbraw/zinc/97/85/72/311978572.db2.gz AJCRMFGKYLOPDE-FZMZJTMJSA-N 0 0 346.387 2.164 40 0 EEABRN CN(C1CCCCC1)S(=O)(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000332433860 312006668 /nfs/dbraw/zinc/00/66/68/312006668.db2.gz FYCCALYZXFDGNK-CQSZACIVSA-N 0 0 342.436 2.228 40 0 EEABRN Cc1csc(CNC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)c1 ZINC000333917105 312213666 /nfs/dbraw/zinc/21/36/66/312213666.db2.gz NPQSCXKPXJCTOH-AWEZNQCLSA-N 0 0 342.486 2.165 40 0 EEABRN COc1ccccc1N1CC[C@H](Nc2nccc3c(=O)[nH]cnc32)C1 ZINC000575430323 320105876 /nfs/dbraw/zinc/10/58/76/320105876.db2.gz YAOJPEYYMQDQOK-LBPRGKRZSA-N 0 0 337.383 2.430 40 0 EEABRN CN1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)c2ccccc21 ZINC000097095753 323320295 /nfs/dbraw/zinc/32/02/95/323320295.db2.gz YIPFCIDBNZRMQM-UHFFFAOYSA-N 0 0 345.349 2.178 40 0 EEABRN O=C(Nc1cnn(-c2ccccn2)c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000097378908 323322921 /nfs/dbraw/zinc/32/29/21/323322921.db2.gz JCBSDIOGNQEXTQ-DZGCQCFKSA-N 0 0 327.388 2.346 40 0 EEABRN CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1cccc(F)c1 ZINC000096519765 463293508 /nfs/dbraw/zinc/29/35/08/463293508.db2.gz KDJCOCLGGQKBOY-DTWKUNHWSA-N 0 0 331.590 2.191 40 0 EEABRN O=C(Nc1ccc(-c2ccccc2)nn1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333890820 465035282 /nfs/dbraw/zinc/03/52/82/465035282.db2.gz GWLHSLGXOIPOLK-ARFHVFGLSA-N 0 0 338.411 2.768 40 0 EEABRN Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000329286784 465289314 /nfs/dbraw/zinc/28/93/14/465289314.db2.gz MEINTUZEKTVHOU-SNVBAGLBSA-N 0 0 346.368 2.308 40 0 EEABRN Cc1cc(-c2nnn(CC(=O)N(C)Cc3ccco3)n2)ccc1F ZINC000060166403 462539882 /nfs/dbraw/zinc/53/98/82/462539882.db2.gz HLHLHTPUHKBOCN-UHFFFAOYSA-N 0 0 329.335 2.039 40 0 EEABRN Cc1cc(-c2nnn(CC(=O)NC3CCC(C)CC3)n2)ccc1F ZINC000060166394 462540304 /nfs/dbraw/zinc/54/03/04/462540304.db2.gz GTNJJCXGJBIEJX-UHFFFAOYSA-N 0 0 331.395 2.483 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC(Cn3ccnc3C)CC2)c1 ZINC000085436379 462547525 /nfs/dbraw/zinc/54/75/25/462547525.db2.gz BRXMZVMXNWYGMC-UHFFFAOYSA-N 0 0 349.456 2.301 40 0 EEABRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCOCC2)o1 ZINC000000319852 462554562 /nfs/dbraw/zinc/55/45/62/462554562.db2.gz ZAWVHHZRFMTHMY-UHFFFAOYSA-N 0 0 347.367 2.260 40 0 EEABRN Cc1nc([C@H](NC(=O)Nc2nncs2)c2ccccc2F)no1 ZINC000086165954 462565687 /nfs/dbraw/zinc/56/56/87/462565687.db2.gz NFTKAGWCWFUUJO-SNVBAGLBSA-N 0 0 334.336 2.280 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3ccccc3c2)C1 ZINC000045416828 462583859 /nfs/dbraw/zinc/58/38/59/462583859.db2.gz VQUDCKREWRPQAZ-QGZVFWFLSA-N 0 0 346.452 2.128 40 0 EEABRN CCOC(=O)C[C@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC ZINC000002033585 462588743 /nfs/dbraw/zinc/58/87/43/462588743.db2.gz HWXPHMSHYRNUQR-CQSZACIVSA-N 0 0 336.384 2.466 40 0 EEABRN Cc1cc(OCC(=O)OCCNC(=O)c2cccnc2)ccc1Cl ZINC000002679809 462599260 /nfs/dbraw/zinc/59/92/60/462599260.db2.gz XUACNFATNXKQHS-UHFFFAOYSA-N 0 0 348.786 2.395 40 0 EEABRN COc1cc(CN2CC[C@H](NC(=O)c3ccc[nH]3)C2)cc(OC)c1 ZINC000087504688 462611476 /nfs/dbraw/zinc/61/14/76/462611476.db2.gz IHMMHKYPJOBRHV-AWEZNQCLSA-N 0 0 329.400 2.036 40 0 EEABRN O=C(Cc1nc2ncccn2n1)Nc1cccc(OC(F)(F)F)c1 ZINC000045768877 462615765 /nfs/dbraw/zinc/61/57/65/462615765.db2.gz WOMVMPQDZHQWIZ-UHFFFAOYSA-N 0 0 337.261 2.204 40 0 EEABRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871865 462627069 /nfs/dbraw/zinc/62/70/69/462627069.db2.gz GNVKUMBKIWQWEI-SNVBAGLBSA-N 0 0 333.417 2.123 40 0 EEABRN CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006274448 462681069 /nfs/dbraw/zinc/68/10/69/462681069.db2.gz KOMLOWHKHPMEIC-UHFFFAOYSA-N 0 0 334.441 2.375 40 0 EEABRN CCCCCNC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000006308684 462681599 /nfs/dbraw/zinc/68/15/99/462681599.db2.gz UIRIJOYBNRKRPZ-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN COc1ccccc1OCC(=O)Nc1cc(N2CCCCC2)ncn1 ZINC000075166282 462690607 /nfs/dbraw/zinc/69/06/07/462690607.db2.gz DEXZEBGYPZOSCR-UHFFFAOYSA-N 0 0 342.399 2.493 40 0 EEABRN COc1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000047286378 462766484 /nfs/dbraw/zinc/76/64/84/462766484.db2.gz XBSSCMHLBRJWBW-UHFFFAOYSA-N 0 0 339.395 2.125 40 0 EEABRN CCOc1ccc(Br)cc1CNc1nnnn1CC ZINC000008339951 462780156 /nfs/dbraw/zinc/78/01/56/462780156.db2.gz AIIUIPIMVXDKGY-UHFFFAOYSA-N 0 0 326.198 2.466 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000010039272 462812118 /nfs/dbraw/zinc/81/21/18/462812118.db2.gz YRTBOKHBLXIFRZ-HNNXBMFYSA-N 0 0 346.452 2.021 40 0 EEABRN CCn1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1=O ZINC000091009631 462818572 /nfs/dbraw/zinc/81/85/72/462818572.db2.gz KBCDBHOMZAJDSW-UHFFFAOYSA-N 0 0 344.390 2.257 40 0 EEABRN Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC000076207797 462823079 /nfs/dbraw/zinc/82/30/79/462823079.db2.gz VJUUGUPHBFIRGJ-LBPRGKRZSA-N 0 0 328.416 2.049 40 0 EEABRN Cc1cnc(-c2nc(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)no2)cn1 ZINC000013227814 462887695 /nfs/dbraw/zinc/88/76/95/462887695.db2.gz ACBGHBGERPIOGM-GWCFXTLKSA-N 0 0 327.388 2.197 40 0 EEABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000048366719 462901115 /nfs/dbraw/zinc/90/11/15/462901115.db2.gz AJHFQRZDWQXGPL-UHFFFAOYSA-N 0 0 349.811 2.443 40 0 EEABRN CCC(=O)NC(=S)Nc1ccc(I)c(C)n1 ZINC000014257650 462923057 /nfs/dbraw/zinc/92/30/57/462923057.db2.gz HDJNQBFKBAJZSZ-UHFFFAOYSA-N 0 0 349.197 2.218 40 0 EEABRN COc1ccc(-c2cc(N(C)CC(=O)NCc3ccco3)n[nH]2)cc1 ZINC000077360463 462973281 /nfs/dbraw/zinc/97/32/81/462973281.db2.gz MSXFKECGGCSPNC-UHFFFAOYSA-N 0 0 340.383 2.431 40 0 EEABRN CC[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cc(F)ccc1F ZINC000077582981 463008508 /nfs/dbraw/zinc/00/85/08/463008508.db2.gz VBWULGKEASXUQA-FZMZJTMJSA-N 0 0 325.359 2.336 40 0 EEABRN CCC(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H]2[C@H]1CCCN2C(C)=O ZINC000019499180 463017336 /nfs/dbraw/zinc/01/73/36/463017336.db2.gz OIIPSXBVNRSBES-ZHALLVOQSA-N 0 0 330.428 2.411 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)NCc2coc3ccccc23)CCS1(=O)=O ZINC000077665690 463019226 /nfs/dbraw/zinc/01/92/26/463019226.db2.gz UXPGXHVNAZWBBB-NWDGAFQWSA-N 0 0 336.413 2.150 40 0 EEABRN O[C@@H](CN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000093273115 463021500 /nfs/dbraw/zinc/02/15/00/463021500.db2.gz SMYVYJPWNYBHSU-IBGZPJMESA-N 0 0 336.439 2.414 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCCn1ccc2ccccc21 ZINC000134359853 463030348 /nfs/dbraw/zinc/03/03/48/463030348.db2.gz UMVUGJMZTLBGHQ-DOTOQJQBSA-N 0 0 345.443 2.213 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000077724101 463031814 /nfs/dbraw/zinc/03/18/14/463031814.db2.gz CGCMJVOFBPLUJJ-NSHDSACASA-N 0 0 333.367 2.416 40 0 EEABRN Cc1ccc(NC2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)CC2)cc1 ZINC000095395273 463074714 /nfs/dbraw/zinc/07/47/14/463074714.db2.gz USFBWQMFGFEJPY-QGZVFWFLSA-N 0 0 344.503 2.034 40 0 EEABRN C[C@@H](O)[C@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000095449486 463087526 /nfs/dbraw/zinc/08/75/26/463087526.db2.gz CXGKNKOPJIILQQ-CABCVRRESA-N 0 0 342.443 2.064 40 0 EEABRN COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(O)c3)n2)cc1OC ZINC000095533815 463107736 /nfs/dbraw/zinc/10/77/36/463107736.db2.gz FKTRBKPVUWZLRT-OAHLLOKOSA-N 0 0 326.356 2.243 40 0 EEABRN O=C(C1=CCCC1)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041912 463146324 /nfs/dbraw/zinc/14/63/24/463146324.db2.gz RHUGHWXBPKJJFO-ARFHVFGLSA-N 0 0 332.375 2.468 40 0 EEABRN O=C([C@H]1C[C@@H]2CCN(Cc3ccccc3F)C[C@@H]2O1)N1CCCC1 ZINC000096043189 463147835 /nfs/dbraw/zinc/14/78/35/463147835.db2.gz DLSIYMZBVSSPRE-QGTPRVQTSA-N 0 0 332.419 2.428 40 0 EEABRN CCn1ncc2c1CN(C(=O)c1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096044585 463148895 /nfs/dbraw/zinc/14/88/95/463148895.db2.gz QDXBHDHTVGFIQY-CYBMUJFWSA-N 0 0 343.383 2.018 40 0 EEABRN Cc1cccc(C(=O)N2CCC3(CCN(c4ncccn4)C3)CC2)n1 ZINC000096046605 463150680 /nfs/dbraw/zinc/15/06/80/463150680.db2.gz CVRPDOXREWMXBN-UHFFFAOYSA-N 0 0 337.427 2.313 40 0 EEABRN C[C@H]1c2ncc(Cn3cccn3)n2CCN1C(=O)c1ccsc1 ZINC000096062055 463161286 /nfs/dbraw/zinc/16/12/86/463161286.db2.gz OQMGBZNEYSWFNM-LBPRGKRZSA-N 0 0 327.413 2.406 40 0 EEABRN O=C(c1ccco1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065886 463164724 /nfs/dbraw/zinc/16/47/24/463164724.db2.gz VNHFSWCRFQSPLD-YQQAZPJKSA-N 0 0 328.368 2.263 40 0 EEABRN CCc1cnc(N2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)nc1 ZINC000096083633 463170542 /nfs/dbraw/zinc/17/05/42/463170542.db2.gz IUORYMUNNOQVSS-IXDOHACOSA-N 0 0 338.411 2.271 40 0 EEABRN Fc1cnc(N2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)nc1 ZINC000096082904 463170785 /nfs/dbraw/zinc/17/07/85/463170785.db2.gz YFFVUUAVXFXBKI-USXIJHARSA-N 0 0 344.390 2.211 40 0 EEABRN CO[C@]1(CNS(=O)(=O)c2cccc(Cl)c2C)CCSC1 ZINC000096097672 463171671 /nfs/dbraw/zinc/17/16/71/463171671.db2.gz DWISAPWAWSQLNV-ZDUSSCGKSA-N 0 0 335.878 2.449 40 0 EEABRN CO[C@]1(CNS(=O)(=O)Cc2cccc(Cl)c2)CCSC1 ZINC000096097673 463172048 /nfs/dbraw/zinc/17/20/48/463172048.db2.gz NUNAVFMUAJNTJQ-ZDUSSCGKSA-N 0 0 335.878 2.282 40 0 EEABRN O=C(CNc1ccc(N2CCCC2=O)c(F)c1)NCc1ccco1 ZINC000078994936 463175953 /nfs/dbraw/zinc/17/59/53/463175953.db2.gz CNZBERMWPSCQHJ-UHFFFAOYSA-N 0 0 331.347 2.274 40 0 EEABRN O=C(COCc1nc(-c2ccncc2)no1)Nc1cccc(F)c1 ZINC000096182513 463194334 /nfs/dbraw/zinc/19/43/34/463194334.db2.gz WREDRAKQBNKAAG-UHFFFAOYSA-N 0 0 328.303 2.426 40 0 EEABRN CC1(C)c2cc(Cl)ccc2N(CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000096181607 463194487 /nfs/dbraw/zinc/19/44/87/463194487.db2.gz KOPQJNYBJRTPHN-LBPRGKRZSA-N 0 0 336.819 2.259 40 0 EEABRN Cc1cc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)n(C)n1 ZINC000096183177 463194645 /nfs/dbraw/zinc/19/46/45/463194645.db2.gz WFVBIZXPWRWIAQ-UHFFFAOYSA-N 0 0 326.400 2.382 40 0 EEABRN CC[C@H](C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O ZINC000096184189 463195542 /nfs/dbraw/zinc/19/55/42/463195542.db2.gz ZXEOCZOCNHLWMT-NSHDSACASA-N 0 0 349.818 2.487 40 0 EEABRN O=C(Cc1cccs1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1ccncc1 ZINC000096184078 463195549 /nfs/dbraw/zinc/19/55/49/463195549.db2.gz MUTTVMAGBJSVDF-CVEARBPZSA-N 0 0 341.436 2.088 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)C2CCC2)n1 ZINC000096186539 463199484 /nfs/dbraw/zinc/19/94/84/463199484.db2.gz UUTNUOZBNAHZMH-IAGOWNOFSA-N 0 0 327.428 2.282 40 0 EEABRN O=C(CC1CC1)N1Cc2ccnn2C[C@@H](COCc2ccccn2)C1 ZINC000096189182 463200684 /nfs/dbraw/zinc/20/06/84/463200684.db2.gz RNOQFSLRZVRARH-INIZCTEOSA-N 0 0 340.427 2.253 40 0 EEABRN c1c2ccccc2oc1-c1nnc2sc(CN3CCOCC3)nn21 ZINC000096194074 463201715 /nfs/dbraw/zinc/20/17/15/463201715.db2.gz IAFLANBELBAANN-UHFFFAOYSA-N 0 0 341.396 2.431 40 0 EEABRN CCC(=O)N[C@@H]1CCc2c(ccc(=O)n2Cc2csc(C)n2)C1 ZINC000096196602 463201858 /nfs/dbraw/zinc/20/18/58/463201858.db2.gz UQXMQTWENJCCDF-CYBMUJFWSA-N 0 0 331.441 2.045 40 0 EEABRN O=C(c1ccco1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 ZINC000096202254 463207300 /nfs/dbraw/zinc/20/73/00/463207300.db2.gz YFYMEIXQHHZQNL-SFHVURJKSA-N 0 0 327.384 2.044 40 0 EEABRN Cn1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096205907 463208687 /nfs/dbraw/zinc/20/86/87/463208687.db2.gz UIQRNBAUPFBZCJ-KDOFPFPSSA-N 0 0 326.400 2.136 40 0 EEABRN Cn1cc(CN2Cc3cncn3C[C@@H](COCC3CCC3)C2)cn1 ZINC000096208730 463212672 /nfs/dbraw/zinc/21/26/72/463212672.db2.gz ZZPPNRKDVFGZPO-KRWDZBQOSA-N 0 0 329.448 2.065 40 0 EEABRN c1cc(CN2CCOC[C@H]2c2nccc(NC3CCC3)n2)ccn1 ZINC000096218777 463216438 /nfs/dbraw/zinc/21/64/38/463216438.db2.gz DIMHIDUKIUYFPU-INIZCTEOSA-N 0 0 325.416 2.410 40 0 EEABRN Fc1cnc(N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096222501 463218775 /nfs/dbraw/zinc/21/87/75/463218775.db2.gz RSILPRNWDAOVQI-NVXWUHKLSA-N 0 0 330.363 2.218 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 ZINC000096229748 463223577 /nfs/dbraw/zinc/22/35/77/463223577.db2.gz QVSQXNPTDFQZQX-QGZVFWFLSA-N 0 0 336.457 2.161 40 0 EEABRN O=C1C[C@]2(CCN(c3cnccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239045 463224420 /nfs/dbraw/zinc/22/44/20/463224420.db2.gz OXPVMIUZSYGLGA-KRWDZBQOSA-N 0 0 330.338 2.388 40 0 EEABRN Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC000096239051 463224594 /nfs/dbraw/zinc/22/45/94/463224594.db2.gz QVBLUZVGYIWZPD-SFHVURJKSA-N 0 0 346.381 2.327 40 0 EEABRN COCCNC(=O)c1ccc2nnc3ncn(CC(C)C)c3c2c1 ZINC000096264309 463231855 /nfs/dbraw/zinc/23/18/55/463231855.db2.gz HZFVKRUHSXMAHR-UHFFFAOYSA-N 0 0 327.388 2.012 40 0 EEABRN O=S1(=O)CC[C@@H](CNc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000096404807 463239543 /nfs/dbraw/zinc/23/95/43/463239543.db2.gz UAQFHPURFJSKBQ-VIFPVBQESA-N 0 0 327.793 2.237 40 0 EEABRN CCc1ccc([C@@H]2COCCN2C(=O)CCCNC(=O)C2CC2)o1 ZINC000096412798 463244922 /nfs/dbraw/zinc/24/49/22/463244922.db2.gz SSSSAMFKFKRFPK-HNNXBMFYSA-N 0 0 334.416 2.048 40 0 EEABRN COCCc1noc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414962 463247359 /nfs/dbraw/zinc/24/73/59/463247359.db2.gz DYTCIOBCLIMFJU-AWEZNQCLSA-N 0 0 347.390 2.493 40 0 EEABRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(Cl)o1 ZINC000096417169 463249414 /nfs/dbraw/zinc/24/94/14/463249414.db2.gz VWUCMHYIZNOCEJ-SNVBAGLBSA-N 0 0 332.743 2.391 40 0 EEABRN C[C@](O)(CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccsc1 ZINC000096420118 463251729 /nfs/dbraw/zinc/25/17/29/463251729.db2.gz VUJRUCFSMOPIEN-INIZCTEOSA-N 0 0 343.412 2.358 40 0 EEABRN CC(C)C(=O)NCCNC(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000096422030 463252617 /nfs/dbraw/zinc/25/26/17/463252617.db2.gz PMKUKTJEXPZOOQ-UHFFFAOYSA-N 0 0 349.822 2.419 40 0 EEABRN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)Cc1cccs1 ZINC000096422353 463253213 /nfs/dbraw/zinc/25/32/13/463253213.db2.gz DDJVWRIPECXVOS-WCQYABFASA-N 0 0 326.487 2.307 40 0 EEABRN CCc1ocnc1C(=O)Nc1ccc(I)cn1 ZINC000096423215 463254244 /nfs/dbraw/zinc/25/42/44/463254244.db2.gz GYSWLYJXFLPWPK-UHFFFAOYSA-N 0 0 343.124 2.489 40 0 EEABRN CCc1noc(CN(C)C(=O)c2cc(N3CCCC3=O)ccc2F)n1 ZINC000096423665 463254263 /nfs/dbraw/zinc/25/42/63/463254263.db2.gz CVDKVYGRMHJINQ-UHFFFAOYSA-N 0 0 346.362 2.170 40 0 EEABRN Cc1ccc(-c2ocnc2C(=O)N(C)Cc2nnc3n2CCC3)cc1 ZINC000096426171 463255545 /nfs/dbraw/zinc/25/55/45/463255545.db2.gz RIHBHWBNOUSCSN-UHFFFAOYSA-N 0 0 337.383 2.460 40 0 EEABRN CN(C)S(=O)(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC000096428330 463257835 /nfs/dbraw/zinc/25/78/35/463257835.db2.gz GMJYAWVUKGLPRK-UHFFFAOYSA-N 0 0 335.267 2.166 40 0 EEABRN CCn1nc(C)c(S(=O)(=O)N2CCc3ccccc3CC2)c1C ZINC000096428065 463258386 /nfs/dbraw/zinc/25/83/86/463258386.db2.gz OEUNUDPRXNZTKL-UHFFFAOYSA-N 0 0 333.457 2.309 40 0 EEABRN Cc1nc(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3=O)c2)cs1 ZINC000096431186 463259839 /nfs/dbraw/zinc/25/98/39/463259839.db2.gz WPAQNVNMBSFCEX-OAHLLOKOSA-N 0 0 329.425 2.421 40 0 EEABRN COCCn1c(C(=O)N2CCCC[C@@H]2CC(N)=O)cc2ccccc21 ZINC000096430786 463260405 /nfs/dbraw/zinc/26/04/05/463260405.db2.gz OOGDUPPBLJJBKC-OAHLLOKOSA-N 0 0 343.427 2.158 40 0 EEABRN CN(CC(F)(F)F)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096436120 463263133 /nfs/dbraw/zinc/26/31/33/463263133.db2.gz LQXMLOGLGSBUSW-CQSZACIVSA-N 0 0 330.350 2.298 40 0 EEABRN CC[C@@H](C(=O)NCc1ccc(-c2cc[nH]n2)cc1)N1CCCC1=O ZINC000096436129 463264011 /nfs/dbraw/zinc/26/40/11/463264011.db2.gz ZKPYWZFKWGIHDR-INIZCTEOSA-N 0 0 326.400 2.094 40 0 EEABRN NC(=O)[C@H](NCc1cscn1)c1ccc(Br)cc1F ZINC000096437040 463265124 /nfs/dbraw/zinc/26/51/24/463265124.db2.gz WUZGTRJJYCKICX-LLVKDONJSA-N 0 0 344.209 2.361 40 0 EEABRN Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC(OCC3CC3)CC2)n1 ZINC000096439333 463266254 /nfs/dbraw/zinc/26/62/54/463266254.db2.gz JZUZAKPOXMIVPV-AWEZNQCLSA-N 0 0 334.464 2.489 40 0 EEABRN O=C(OCCN1CCCC1=O)c1ccc(F)c(Br)c1 ZINC000096441944 463267611 /nfs/dbraw/zinc/26/76/11/463267611.db2.gz HWEZWRZFLOGPFZ-UHFFFAOYSA-N 0 0 330.153 2.367 40 0 EEABRN C[C@@H](C(=O)Nc1c(F)cc(Br)cc1F)S(C)(=O)=O ZINC000096443144 463268843 /nfs/dbraw/zinc/26/88/43/463268843.db2.gz YIATWUWGXPOLEN-YFKPBYRVSA-N 0 0 342.161 2.099 40 0 EEABRN CCn1ccnc1Cn1nc(Br)nc1Br ZINC000096444615 463270150 /nfs/dbraw/zinc/27/01/50/463270150.db2.gz VVTGTQKTHCEXRI-UHFFFAOYSA-N 0 0 335.003 2.068 40 0 EEABRN Cc1ccccc1-c1csc(=O)n1CCN1C(=O)NC(C)(C)C1=O ZINC000096447944 463271215 /nfs/dbraw/zinc/27/12/15/463271215.db2.gz XWVYJOHQPKFRLZ-UHFFFAOYSA-N 0 0 345.424 2.216 40 0 EEABRN C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000096450371 463271873 /nfs/dbraw/zinc/27/18/73/463271873.db2.gz RIZKCYLQTMJZPA-YVEFUNNKSA-N 0 0 338.473 2.157 40 0 EEABRN Cc1cc(N2CCC(NC(=O)CCc3cccnc3)CC2)nc(C)n1 ZINC000096454887 463275608 /nfs/dbraw/zinc/27/56/08/463275608.db2.gz KSKRMRYPNRUHDM-UHFFFAOYSA-N 0 0 339.443 2.206 40 0 EEABRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000096461654 463276323 /nfs/dbraw/zinc/27/63/23/463276323.db2.gz LQIJTEYXCAGVIH-MRXNPFEDSA-N 0 0 333.476 2.032 40 0 EEABRN CC(C)c1cnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)o1 ZINC000096460996 463276389 /nfs/dbraw/zinc/27/63/89/463276389.db2.gz CISJFSIKQURMEC-UHFFFAOYSA-N 0 0 336.355 2.137 40 0 EEABRN CCOC(=O)c1cnc(N2CCN(c3ncccc3F)CC2)s1 ZINC000096460546 463276848 /nfs/dbraw/zinc/27/68/48/463276848.db2.gz RTLOTSIGUOJORF-UHFFFAOYSA-N 0 0 336.392 2.181 40 0 EEABRN Cc1cnn(-c2ccc(S(=O)(=O)N(C)CC(F)F)cc2F)c1 ZINC000096466246 463277662 /nfs/dbraw/zinc/27/76/62/463277662.db2.gz ZMDQNOGJWZCSJL-UHFFFAOYSA-N 0 0 333.335 2.205 40 0 EEABRN CC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000096466366 463277797 /nfs/dbraw/zinc/27/77/97/463277797.db2.gz NSQBXVWRHUWNGE-OAHLLOKOSA-N 0 0 334.395 2.168 40 0 EEABRN C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1 ZINC000096462590 463278054 /nfs/dbraw/zinc/27/80/54/463278054.db2.gz JPELHHKBEVUSGR-PBHICJAKSA-N 0 0 349.456 2.422 40 0 EEABRN CN(C(=O)CCNC(N)=O)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000096492238 463287779 /nfs/dbraw/zinc/28/77/79/463287779.db2.gz ITDSEASUAMHTBB-INIZCTEOSA-N 0 0 346.818 2.341 40 0 EEABRN NC(=O)c1cc(OC2CCN(Cc3ccc(Cl)cn3)CC2)ccn1 ZINC000096496442 463289073 /nfs/dbraw/zinc/28/90/73/463289073.db2.gz GZHOJNKOMTZAMZ-UHFFFAOYSA-N 0 0 346.818 2.272 40 0 EEABRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)NCC(C)(C)O ZINC000096499846 463290178 /nfs/dbraw/zinc/29/01/78/463290178.db2.gz ZDDJJHSAFWBZFW-MRVPVSSYSA-N 0 0 336.358 2.193 40 0 EEABRN CC[C@]1(c2cnn(C)c2)NC(=O)N(CCc2cccc(F)c2F)C1=O ZINC000096501867 463291985 /nfs/dbraw/zinc/29/19/85/463291985.db2.gz NDZQBFWTABGSLW-QGZVFWFLSA-N 0 0 348.353 2.098 40 0 EEABRN COCc1ccc([C@H]2CCCN2C(=O)NCCc2nccn2C)o1 ZINC000096503270 463293197 /nfs/dbraw/zinc/29/31/97/463293197.db2.gz UJSZCNMMGACSAO-CQSZACIVSA-N 0 0 332.404 2.249 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCCc1cc(F)cc(F)c1 ZINC000097095056 463321679 /nfs/dbraw/zinc/32/16/79/463321679.db2.gz PREJCIQHGQOWKY-MLGOLLRUSA-N 0 0 342.386 2.079 40 0 EEABRN CNS(=O)(=O)Cc1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC000097097131 463322669 /nfs/dbraw/zinc/32/26/69/463322669.db2.gz UWQNEVPHGUZJER-UHFFFAOYSA-N 0 0 336.457 2.243 40 0 EEABRN C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000097099105 463323792 /nfs/dbraw/zinc/32/37/92/463323792.db2.gz NSJYNFXJFYQTFU-SFDCACGMSA-N 0 0 332.429 2.374 40 0 EEABRN Cc1cccc(N2CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC2)n1 ZINC000097100765 463324081 /nfs/dbraw/zinc/32/40/81/463324081.db2.gz AXUZLLBSPMRQRD-MRXNPFEDSA-N 0 0 348.491 2.455 40 0 EEABRN COc1c(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2F)c(C)nn1C ZINC000097377855 463357103 /nfs/dbraw/zinc/35/71/03/463357103.db2.gz CMBMDGQTUJHCNH-DOMZBBRYSA-N 0 0 332.379 2.232 40 0 EEABRN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@]2(C)O1 ZINC000032138802 463365678 /nfs/dbraw/zinc/36/56/78/463365678.db2.gz BGKPLIMRLZNFRS-JEWRLFTDSA-N 0 0 341.363 2.121 40 0 EEABRN CC1(C)OCC2(CN(S(=O)(=O)c3ccc(Cl)s3)C2)CO1 ZINC000070972091 463399022 /nfs/dbraw/zinc/39/90/22/463399022.db2.gz PNBLFVDGMULEPM-UHFFFAOYSA-N 0 0 337.850 2.175 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000056686803 463416174 /nfs/dbraw/zinc/41/61/74/463416174.db2.gz WIUWVQDRWVYBOT-CYBMUJFWSA-N 0 0 348.424 2.309 40 0 EEABRN CCc1nc(CNC(=O)c2ccc(OC)c(Br)c2)no1 ZINC000033783736 463423907 /nfs/dbraw/zinc/42/39/07/463423907.db2.gz NYHHOTGOKNASIG-UHFFFAOYSA-N 0 0 340.177 2.333 40 0 EEABRN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1CC(=O)N(N)C2=O ZINC000033919779 463425778 /nfs/dbraw/zinc/42/57/78/463425778.db2.gz HDOMUOSSPZHKBI-PHGIVBCJSA-N 0 0 332.444 2.149 40 0 EEABRN CCCC(=O)N1[C@@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2 ZINC000071980559 463479799 /nfs/dbraw/zinc/47/97/99/463479799.db2.gz XFBLQRXTTIPBMD-MRXNPFEDSA-N 0 0 346.427 2.091 40 0 EEABRN COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072227141 463483945 /nfs/dbraw/zinc/48/39/45/463483945.db2.gz GXLCOFDTXAQTAB-SJORKVTESA-N 0 0 328.368 2.128 40 0 EEABRN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000057784131 463518405 /nfs/dbraw/zinc/51/84/05/463518405.db2.gz DAJGNVAMKZAXJE-UHFFFAOYSA-N 0 0 347.375 2.219 40 0 EEABRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccccn2)C1 ZINC000057893501 463528078 /nfs/dbraw/zinc/52/80/78/463528078.db2.gz ZQFYWGUQRYBAEN-OAHLLOKOSA-N 0 0 338.367 2.218 40 0 EEABRN CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CCSc2ccccc21 ZINC000058151892 463544430 /nfs/dbraw/zinc/54/44/30/463544430.db2.gz ARLKYGMPRIWMAD-RYUDHWBXSA-N 0 0 339.486 2.130 40 0 EEABRN O=C(c1cccc2c1OCCO2)N1CCc2ccccc2[C@@H]1CO ZINC000127139920 463684853 /nfs/dbraw/zinc/68/48/53/463684853.db2.gz BWPNVBDVDMGMFH-INIZCTEOSA-N 0 0 325.364 2.190 40 0 EEABRN O=C(CN1CCSC1=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000044893595 463698899 /nfs/dbraw/zinc/69/88/99/463698899.db2.gz ANQQFTVLISUUOR-LBPRGKRZSA-N 0 0 344.440 2.438 40 0 EEABRN O=C1CO[C@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]2N1c1ccccc1 ZINC000257226783 463756054 /nfs/dbraw/zinc/75/60/54/463756054.db2.gz FMDMDFGAWUISSG-IRXDYDNUSA-N 0 0 343.814 2.351 40 0 EEABRN Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3ccncc3)C2)n1 ZINC000257228787 463756322 /nfs/dbraw/zinc/75/63/22/463756322.db2.gz FVFHCEKSEJMEPO-QGZVFWFLSA-N 0 0 328.416 2.275 40 0 EEABRN COc1ccccc1[C@H]1CN(C(=O)c2c(C)noc2C)CCN1C ZINC000257280393 463759361 /nfs/dbraw/zinc/75/93/61/463759361.db2.gz OKQUEAVLVZRKSR-OAHLLOKOSA-N 0 0 329.400 2.429 40 0 EEABRN CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccccc2C(C)(C)C)[C@H]1O ZINC000257284255 463761341 /nfs/dbraw/zinc/76/13/41/463761341.db2.gz PBXYHVIHCZGHBU-QGPMSJSTSA-N 0 0 335.444 2.360 40 0 EEABRN Nc1nc([C@H]2CCCN(C(=O)c3ccccc3F)C2)cc2ccnn21 ZINC000257287411 463762787 /nfs/dbraw/zinc/76/27/87/463762787.db2.gz PPWJTRSPJNRZLZ-LBPRGKRZSA-N 0 0 339.374 2.470 40 0 EEABRN Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000257287418 463763605 /nfs/dbraw/zinc/76/36/05/463763605.db2.gz PPXHFAKOEKDDFP-QGZVFWFLSA-N 0 0 339.443 2.148 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257290935 463764356 /nfs/dbraw/zinc/76/43/56/463764356.db2.gz QEYYVPHHTHKJOR-GOSISDBHSA-N 0 0 326.444 2.474 40 0 EEABRN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257292493 463764428 /nfs/dbraw/zinc/76/44/28/463764428.db2.gz QLSRLTBZCNDGHI-AWEZNQCLSA-N 0 0 346.456 2.011 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)nc(C)n1 ZINC000257292979 463766492 /nfs/dbraw/zinc/76/64/92/463766492.db2.gz QNQOKKBIHHBDFT-KRWDZBQOSA-N 0 0 345.374 2.211 40 0 EEABRN Cc1c(C(=O)N2CCO[C@@H](c3cnccn3)C2)c2ccccc2n1C ZINC000257313411 463773382 /nfs/dbraw/zinc/77/33/82/463773382.db2.gz USHCVDFPXMIEGJ-QGZVFWFLSA-N 0 0 336.395 2.490 40 0 EEABRN CNc1cncc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)n1 ZINC000257319595 463775958 /nfs/dbraw/zinc/77/59/58/463775958.db2.gz VTFAJFLECUHSHB-AWEZNQCLSA-N 0 0 340.383 2.153 40 0 EEABRN CCCn1nc(C)c(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)c1C ZINC000257319365 463777077 /nfs/dbraw/zinc/77/70/77/463777077.db2.gz VSBKGLNSBWAYIS-CQSZACIVSA-N 0 0 331.420 2.155 40 0 EEABRN COc1ncc(NC(=O)[C@@H]2CCCc3ccccc32)cc1C(N)=O ZINC000268516671 463777279 /nfs/dbraw/zinc/77/72/79/463777279.db2.gz LOQMGYZTIJCXJK-CQSZACIVSA-N 0 0 325.368 2.248 40 0 EEABRN Cc1csc(-c2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)n1 ZINC000257335307 463782587 /nfs/dbraw/zinc/78/25/87/463782587.db2.gz YJPBRURLHGOGCB-ZDUSSCGKSA-N 0 0 338.458 2.313 40 0 EEABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3F)no2)[C@H]1O ZINC000257339149 463784483 /nfs/dbraw/zinc/78/44/83/463784483.db2.gz ZAKAMDVOEORPKB-XNRPHZJLSA-N 0 0 334.347 2.139 40 0 EEABRN C[C@H](C(=O)NC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000194359501 463845103 /nfs/dbraw/zinc/84/51/03/463845103.db2.gz YQCIETLZLRORHB-GFCCVEGCSA-N 0 0 332.381 2.197 40 0 EEABRN C[C@H]1CCCC[C@H]1OCCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C ZINC000195530556 464071710 /nfs/dbraw/zinc/07/17/10/464071710.db2.gz ZSZZLKGGTYAELQ-HHJHJPNSSA-N 0 0 330.494 2.133 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000195553880 464075647 /nfs/dbraw/zinc/07/56/47/464075647.db2.gz CGXCQQCKPKABQL-QZTJIDSGSA-N 0 0 345.468 2.185 40 0 EEABRN CNC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000195571780 464078863 /nfs/dbraw/zinc/07/88/63/464078863.db2.gz WMLAKULDOVNARY-CQSZACIVSA-N 0 0 335.423 2.135 40 0 EEABRN Cn1ccc(CC(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)n1 ZINC000195576497 464080501 /nfs/dbraw/zinc/08/05/01/464080501.db2.gz SWIMMMNOFWNVJK-UHFFFAOYSA-N 0 0 335.429 2.174 40 0 EEABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(F)cc1 ZINC000223670129 464145726 /nfs/dbraw/zinc/14/57/26/464145726.db2.gz DILXNSAPUBIVFL-UHFFFAOYSA-N 0 0 342.436 2.288 40 0 EEABRN COc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1 ZINC000224158824 464148362 /nfs/dbraw/zinc/14/83/62/464148362.db2.gz VLDCMADVOVSSMK-UHFFFAOYSA-N 0 0 326.400 2.406 40 0 EEABRN O=C(NCc1nccc(N2CCOCC2)n1)c1cccc2ccccc21 ZINC000224169275 464148704 /nfs/dbraw/zinc/14/87/04/464148704.db2.gz RIQNCOZTLXLMMO-UHFFFAOYSA-N 0 0 348.406 2.396 40 0 EEABRN O=C(NCCC1C=NC(=O)N[C@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000225222537 464154944 /nfs/dbraw/zinc/15/49/44/464154944.db2.gz ONHAOVBVZYOLQA-NSHDSACASA-N 0 0 345.186 2.225 40 0 EEABRN COc1cc2c(cc1S(=O)(=O)NC[C@H]1CCCO1)CCCC2 ZINC000225345060 464155722 /nfs/dbraw/zinc/15/57/22/464155722.db2.gz XDSRKHMDZHXOIZ-CQSZACIVSA-N 0 0 325.430 2.031 40 0 EEABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000225410859 464158709 /nfs/dbraw/zinc/15/87/09/464158709.db2.gz XRIYCULIXAGSMV-AWEZNQCLSA-N 0 0 344.386 2.368 40 0 EEABRN COC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(N)c1 ZINC000225442031 464160281 /nfs/dbraw/zinc/16/02/81/464160281.db2.gz IQDHZPLCIAURPR-UHFFFAOYSA-N 0 0 341.411 2.391 40 0 EEABRN Nc1ncnc(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481393 464164244 /nfs/dbraw/zinc/16/42/44/464164244.db2.gz PAVRCBPOJCGOJL-CYBMUJFWSA-N 0 0 345.834 2.358 40 0 EEABRN CN1c2cccnc2CN(C(=O)Nc2ccccc2)CC[C@H]1CO ZINC000225497467 464166499 /nfs/dbraw/zinc/16/64/99/464166499.db2.gz ZWNANEWSHMGCJU-HNNXBMFYSA-N 0 0 326.400 2.317 40 0 biogenic,in-vitro EEABRN C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000225547112 464170743 /nfs/dbraw/zinc/17/07/43/464170743.db2.gz GFZVOUANMSPHAY-MNOVXSKESA-N 0 0 326.359 2.241 40 0 EEABRN Cc1ccc(CN(CC(N)=O)C[C@H]2CCCO2)c(Br)c1 ZINC000225629545 464176401 /nfs/dbraw/zinc/17/64/01/464176401.db2.gz YVBUYFWPZJOQQH-CYBMUJFWSA-N 0 0 341.249 2.224 40 0 EEABRN Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225677345 464179231 /nfs/dbraw/zinc/17/92/31/464179231.db2.gz PUKGAAWFHUGZGM-UHFFFAOYSA-N 0 0 348.449 2.387 40 0 EEABRN FC(F)(F)c1ccc(NCc2ccnc(N3CCOCC3)c2)nn1 ZINC000179990416 464220321 /nfs/dbraw/zinc/22/03/21/464220321.db2.gz MEKVDADJZVXLIS-UHFFFAOYSA-N 0 0 339.321 2.339 40 0 EEABRN Cc1cccc(O[C@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)n1 ZINC000238974275 464441316 /nfs/dbraw/zinc/44/13/16/464441316.db2.gz ZRLUMSYWGZZDIS-LBPRGKRZSA-N 0 0 333.775 2.438 40 0 EEABRN C[C@]1(C(N)=O)CCCCN1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189202665 464455755 /nfs/dbraw/zinc/45/57/55/464455755.db2.gz KQHZXNYKKRAEQX-MRXNPFEDSA-N 0 0 336.342 2.245 40 0 EEABRN COC1CCN(c2ccc(C(=O)NCCCn3ccnc3)cc2)CC1 ZINC000244909632 464465522 /nfs/dbraw/zinc/46/55/22/464465522.db2.gz ANVNOQGZVBXHJZ-UHFFFAOYSA-N 0 0 342.443 2.318 40 0 EEABRN Cc1csc(=O)n1CCC(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245289884 464469450 /nfs/dbraw/zinc/46/94/50/464469450.db2.gz FWOSHSIGYGJUKK-IACUBPJLSA-N 0 0 325.430 2.355 40 0 EEABRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCC(=O)N(C)CC(F)(F)F ZINC000245305011 464470407 /nfs/dbraw/zinc/47/04/07/464470407.db2.gz HNKMKUGCERLSTF-GRYCIOLGSA-N 0 0 335.370 2.370 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000182653124 464702988 /nfs/dbraw/zinc/70/29/88/464702988.db2.gz UFBPOMJEYZNQRS-LSDHHAIUSA-N 0 0 347.463 2.274 40 0 EEABRN O=C(c1ccccn1)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000247795079 464706829 /nfs/dbraw/zinc/70/68/29/464706829.db2.gz CCPVQKHJESRNJO-INIZCTEOSA-N 0 0 339.395 2.067 40 0 EEABRN O=C(C[C@@H]1CN(C2CCCC2)Cc2ccnn21)NCC1CCOCC1 ZINC000247807560 464707636 /nfs/dbraw/zinc/70/76/36/464707636.db2.gz CGETWLVLVFXZQS-GOSISDBHSA-N 0 0 346.475 2.115 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c(C)o1 ZINC000247857681 464711052 /nfs/dbraw/zinc/71/10/52/464711052.db2.gz YGQUCHWIYHBBQY-CQSZACIVSA-N 0 0 343.383 2.139 40 0 EEABRN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000247855404 464711251 /nfs/dbraw/zinc/71/12/51/464711251.db2.gz JNMSSWGLJRSNOL-QLPKVWCKSA-N 0 0 334.441 2.280 40 0 EEABRN CO[C@@H]1Cn2cccc2CN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000247902770 464713230 /nfs/dbraw/zinc/71/32/30/464713230.db2.gz WFFWCACPZQTGLG-CYBMUJFWSA-N 0 0 340.832 2.361 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CS3)n(C)n1 ZINC000248033718 464725796 /nfs/dbraw/zinc/72/57/96/464725796.db2.gz LXKQWGIVLNTTET-QGZVFWFLSA-N 0 0 344.484 2.400 40 0 EEABRN CN(Cc1ccccn1)[C@H]1CO[C@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC000248136039 464732812 /nfs/dbraw/zinc/73/28/12/464732812.db2.gz RSJSNVHSDVMUCB-MJGOQNOKSA-N 0 0 329.444 2.074 40 0 EEABRN COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H](C)O ZINC000192564213 464949036 /nfs/dbraw/zinc/94/90/36/464949036.db2.gz ZZFNXSFKMVNXDJ-BDAKNGLRSA-N 0 0 331.210 2.199 40 0 EEABRN CC[C@H](C)[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)C(F)(F)F ZINC000252503487 464972118 /nfs/dbraw/zinc/97/21/18/464972118.db2.gz VDLBTFYWYGSPFE-CABZTGNLSA-N 0 0 335.370 2.274 40 0 EEABRN CNS(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)c(C)o1 ZINC000177322458 464986357 /nfs/dbraw/zinc/98/63/57/464986357.db2.gz MHCFDPYFYJDKIG-UHFFFAOYSA-N 0 0 347.396 2.331 40 0 EEABRN CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000253371021 464994439 /nfs/dbraw/zinc/99/44/39/464994439.db2.gz ZNWWEFMIIBFRFK-JQHSSLGASA-N 0 0 334.460 2.497 40 0 EEABRN CCO[C@@H]1Cn2cccc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000253384050 464996223 /nfs/dbraw/zinc/99/62/23/464996223.db2.gz NNBVAWLGGJSFQL-MRXNPFEDSA-N 0 0 342.395 2.207 40 0 EEABRN Cn1cc(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)c2ccccc21 ZINC000253401109 465001875 /nfs/dbraw/zinc/00/18/75/465001875.db2.gz MMQYXPFKMCTHMW-JLSDUUJJSA-N 0 0 328.412 2.174 40 0 EEABRN O=C(CC1CCCC1)N1CCCN(C(=O)C2SCCS2)CC1 ZINC000253415843 465004656 /nfs/dbraw/zinc/00/46/56/465004656.db2.gz QXDFGRVQUKGKEU-UHFFFAOYSA-N 0 0 342.530 2.434 40 0 EEABRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cn[nH]c1 ZINC000253426815 465011627 /nfs/dbraw/zinc/01/16/27/465011627.db2.gz XVGKKWXOKOAFCV-NSHDSACASA-N 0 0 340.305 2.317 40 0 EEABRN CC(=O)N1C[C@@H](CCC(=O)Nc2cccn(C)c2=O)c2ccccc21 ZINC000253429419 465012187 /nfs/dbraw/zinc/01/21/87/465012187.db2.gz CZPXDSAWQIAQHR-CQSZACIVSA-N 0 0 339.395 2.254 40 0 EEABRN O=C(NCc1ncccc1O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000253428634 465012782 /nfs/dbraw/zinc/01/27/82/465012782.db2.gz KCGIJKJFNSSLGE-GOSISDBHSA-N 0 0 339.395 2.157 40 0 EEABRN c1cc2ncnc(NCc3ccnc(OC4CCOCC4)c3)c2cn1 ZINC000337602290 465462973 /nfs/dbraw/zinc/46/29/73/465462973.db2.gz KCCSDSZSGKDJJX-UHFFFAOYSA-N 0 0 337.383 2.590 40 0 EEABRN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)CCO2)[nH]1 ZINC000367071364 466109399 /nfs/dbraw/zinc/10/93/99/466109399.db2.gz JUNIGGYMTQWUDO-MNOVXSKESA-N 0 0 328.363 2.093 40 0 EEABRN CC[C@@H]1CN(S(=O)(=O)c2cccc3c2OCC3)C[C@H](CC)O1 ZINC000331819529 466258896 /nfs/dbraw/zinc/25/88/96/466258896.db2.gz OFUFNISOCUDUGP-OKILXGFUSA-N 0 0 325.430 2.200 40 0 EEABRN Cc1csc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 ZINC000331913160 466303208 /nfs/dbraw/zinc/30/32/08/466303208.db2.gz YOMAXUKGESXABB-LBPRGKRZSA-N 0 0 340.474 2.062 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCNc1ccccn1)N1CCCC1 ZINC000306136909 466491807 /nfs/dbraw/zinc/49/18/07/466491807.db2.gz QGKBYRDQVNGHKT-OAHLLOKOSA-N 0 0 330.432 2.190 40 0 EEABRN Cc1cc(CN2Cc3cccn3C[C@H](Oc3cccnc3)C2)n(C)n1 ZINC000306142687 466494449 /nfs/dbraw/zinc/49/44/49/466494449.db2.gz XGLDUDDDCCMOAT-LJQANCHMSA-N 0 0 337.427 2.388 40 0 EEABRN Cc1c(Br)cc(I)cc1C(N)=O ZINC000307620564 466496326 /nfs/dbraw/zinc/49/63/26/466496326.db2.gz FLYGSALKDTUMJU-UHFFFAOYSA-N 0 0 339.958 2.461 40 0 EEABRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cncc(F)c1 ZINC000332376436 466533285 /nfs/dbraw/zinc/53/32/85/466533285.db2.gz UBVMFAYGUGIJOD-BDJLRTHQSA-N 0 0 336.388 2.233 40 0 EEABRN O=C(NCc1cccnc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390829369 467412313 /nfs/dbraw/zinc/41/23/13/467412313.db2.gz YEFPPTFHTXRMMS-UHFFFAOYSA-N 0 0 345.406 2.291 40 0 EEABRN COc1ccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)cc1OC ZINC000390829789 467412664 /nfs/dbraw/zinc/41/26/64/467412664.db2.gz GQEKHMWXBILTHT-UHFFFAOYSA-N 0 0 341.411 2.363 40 0 EEABRN O=C(CCn1cnc2ccccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000390835030 467414659 /nfs/dbraw/zinc/41/46/59/467414659.db2.gz BBQVYSUXWOCZGN-UHFFFAOYSA-N 0 0 336.347 2.441 40 0 EEABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)C4(F)CC4)C3)C2)n1 ZINC000575402598 468140388 /nfs/dbraw/zinc/14/03/88/468140388.db2.gz CHYHANNNOLICKR-HNNXBMFYSA-N 0 0 334.391 2.169 40 0 EEABRN CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CCCC2)C1 ZINC000575403769 468141584 /nfs/dbraw/zinc/14/15/84/468141584.db2.gz JRXLXTPIMBJQQG-MRXNPFEDSA-N 0 0 332.448 2.261 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1ccoc1)C2 ZINC000585110792 468973241 /nfs/dbraw/zinc/97/32/41/468973241.db2.gz GSYWPMVZMYVQTL-HNNXBMFYSA-N 0 0 328.416 2.029 40 0 EEABRN Cc1cc(C(=O)N2CCc3oc(C(=O)NC(C)C)nc3C2)ccc1F ZINC000585111834 468975122 /nfs/dbraw/zinc/97/51/22/468975122.db2.gz HMXDXLLHGKKLSQ-UHFFFAOYSA-N 0 0 345.374 2.459 40 0 EEABRN CN(C)C(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 ZINC000585112815 468976720 /nfs/dbraw/zinc/97/67/20/468976720.db2.gz WTZDMNADBITYKH-AWEZNQCLSA-N 0 0 333.461 2.163 40 0 EEABRN Cc1cn(C)c([C@H]2CCN(C(=O)CCn3ccnc3C(C)C)C2)n1 ZINC000585181436 468995408 /nfs/dbraw/zinc/99/54/08/468995408.db2.gz NUICQVMLAMMXNE-HNNXBMFYSA-N 0 0 329.448 2.455 40 0 EEABRN CO[C@@H]1CCN(CC(=O)Nc2cccc(F)c2C)C[C@]12CCCO2 ZINC000585266277 468995698 /nfs/dbraw/zinc/99/56/98/468995698.db2.gz FOLUCDXSPZCTIF-SJLPKXTDSA-N 0 0 336.407 2.343 40 0 EEABRN CO[C@@H]1CCN(CC(=O)Nc2cccc(F)c2C)C[C@@]12CCCO2 ZINC000585266275 468996146 /nfs/dbraw/zinc/99/61/46/468996146.db2.gz FOLUCDXSPZCTIF-AEFFLSMTSA-N 0 0 336.407 2.343 40 0 EEABRN O=C(c1ccccc1F)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585269548 468997550 /nfs/dbraw/zinc/99/75/50/468997550.db2.gz YOWDRTVUMSDSLS-LJQANCHMSA-N 0 0 329.371 2.272 40 0 EEABRN Cc1ccccc1C[C@@]1(CO)CN(Cc2ncccc2F)CCO1 ZINC000585276152 469000311 /nfs/dbraw/zinc/00/03/11/469000311.db2.gz DBYQRBAVGREZQL-IBGZPJMESA-N 0 0 330.403 2.335 40 0 EEABRN O=C(Cc1cccnc1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585278866 469004653 /nfs/dbraw/zinc/00/46/53/469004653.db2.gz HYISKTJBWKIEFQ-AEFFLSMTSA-N 0 0 328.387 2.215 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cnc(C)nc3)[C@H]2O)cc1 ZINC000585284254 469007749 /nfs/dbraw/zinc/00/77/49/469007749.db2.gz GRYIBPGIZYZHJU-ZTFGCOKTSA-N 0 0 341.411 2.042 40 0 EEABRN CO[C@@H]1CN(C(=O)c2cccn2C)C[C@]12C[C@@H](c1ccccc1)CO2 ZINC000585287687 469010058 /nfs/dbraw/zinc/01/00/58/469010058.db2.gz ATBRHFJSOOVUOA-YVWKXTFCSA-N 0 0 340.423 2.439 40 0 EEABRN COc1cc(C)nc(N2CCCN(Cc3csc(C)n3)CC2)n1 ZINC000605147756 469544292 /nfs/dbraw/zinc/54/42/92/469544292.db2.gz ZRXCSKZTMRKYEU-UHFFFAOYSA-N 0 0 333.461 2.271 40 0 EEABRN COc1ccc(Cl)cc1C(=O)NCCn1cnc(C2CC2)cc1=O ZINC000390827533 485668014 /nfs/dbraw/zinc/66/80/14/485668014.db2.gz HIDFTVNBJLTCRD-UHFFFAOYSA-N 0 0 347.802 2.213 40 0 EEABRN COc1cc2c(c(OC)c1OC)CCN(Cc1nc(C)no1)CC2 ZINC000676242538 486181477 /nfs/dbraw/zinc/18/14/77/486181477.db2.gz XEDAJDSYZVEWHR-UHFFFAOYSA-N 0 0 333.388 2.005 40 0 EEABRN COc1ccc(NC(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1 ZINC000189632683 534128452 /nfs/dbraw/zinc/12/84/52/534128452.db2.gz UOTYFBOKTVTJAE-UHFFFAOYSA-N 0 0 329.404 2.490 40 0 EEABRN Cn1c(CN2CCOC[C@H]2CC(=O)c2ccccc2)nnc1C1CC1 ZINC000134099844 534688239 /nfs/dbraw/zinc/68/82/39/534688239.db2.gz DYQAWXYNAJQUFI-MRXNPFEDSA-N 0 0 340.427 2.166 40 0 EEABRN CN(C)C(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O ZINC000012143015 524001339 /nfs/dbraw/zinc/00/13/39/524001339.db2.gz VBSXJPYHWXKNJL-UHFFFAOYSA-N 0 0 337.379 2.105 40 0 EEABRN COc1cccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)c1 ZINC000001348053 525854657 /nfs/dbraw/zinc/85/46/57/525854657.db2.gz UWLVAXLRXPJRIV-UHFFFAOYSA-N 0 0 326.396 2.143 40 0 EEABRN CCOC(=O)c1cc(NC(=O)C[C@H]2CCOc3ccccc32)[nH]n1 ZINC000180925900 528182794 /nfs/dbraw/zinc/18/27/94/528182794.db2.gz YLVHKARJNRJZGV-LLVKDONJSA-N 0 0 329.356 2.481 40 0 EEABRN CCCn1ncc(C(=O)N2CCC(Cn3ccnn3)CC2)c1C1CC1 ZINC000159152848 528880281 /nfs/dbraw/zinc/88/02/81/528880281.db2.gz JFBDQMLNIFULMO-UHFFFAOYSA-N 0 0 342.447 2.314 40 0 EEABRN CCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)c2cc(F)ccc21 ZINC000249049852 534929891 /nfs/dbraw/zinc/92/98/91/534929891.db2.gz HYEGPMFYQGCTES-ZDUSSCGKSA-N 0 0 342.436 2.228 40 0 EEABRN COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O ZINC000257254888 536616565 /nfs/dbraw/zinc/61/65/65/536616565.db2.gz KFDLTHJBTXGKPY-BFYDXBDKSA-N 0 0 347.390 2.224 40 0 EEABRN CC1=C(C(N)=O)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000071707 1349351160 /nfs/dbraw/zinc/35/11/60/1349351160.db2.gz MYYNOZWRAKLYOS-QGZVFWFLSA-N 0 0 337.379 2.379 40 0 EEABRN CNC(=O)C1CCN(S(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000906820448 784195837 /nfs/dbraw/zinc/19/58/37/784195837.db2.gz JBBSIMOUDRJEIY-UHFFFAOYSA-N 0 0 338.454 2.048 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1ccco1)C1(n2cc(Br)cn2)CC1 ZINC000822855079 787399049 /nfs/dbraw/zinc/39/90/49/787399049.db2.gz WIOPHOUKHPXMAU-GHMZBOCLSA-N 0 0 336.189 2.400 40 0 EEABRN Cc1cc(F)c2c(c1)CCCN2CC(=O)N1CCC2(CC1)OCCO2 ZINC000052645417 214139784 /nfs/dbraw/zinc/13/97/84/214139784.db2.gz TUDRQXMWLMVAMX-UHFFFAOYSA-N 0 0 348.418 2.252 40 0 EEABRN COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(CO)CC1 ZINC000052807518 214147845 /nfs/dbraw/zinc/14/78/45/214147845.db2.gz JFNTULHNOZUDKP-UHFFFAOYSA-N 0 0 326.824 2.300 40 0 EEABRN CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000055750048 214340328 /nfs/dbraw/zinc/34/03/28/214340328.db2.gz ZLAUGFFHEBAZHJ-UHFFFAOYSA-N 0 0 326.327 2.475 40 0 EEABRN O=C(N1CCCC1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000097953714 219064898 /nfs/dbraw/zinc/06/48/98/219064898.db2.gz PDTXYSPXDZIIDZ-GVDBMIGSSA-N 0 0 331.416 2.046 40 0 EEABRN Cc1cccc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000097953765 219064916 /nfs/dbraw/zinc/06/49/16/219064916.db2.gz XDBZRLSRGPFWPW-XYJFISCASA-N 0 0 339.395 2.236 40 0 EEABRN COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1Cl ZINC000004156415 210133829 /nfs/dbraw/zinc/13/38/29/210133829.db2.gz QRRACPRDHXOKQN-WAYYCVMKSA-N 0 0 331.755 2.438 40 0 EEABRN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000003416456 210032910 /nfs/dbraw/zinc/03/29/10/210032910.db2.gz BMGFBMIRSYHEJM-UHFFFAOYSA-N 0 0 336.351 2.319 40 0 EEABRN CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2cc3ccccc3o2)s1 ZINC000102768491 219229401 /nfs/dbraw/zinc/22/94/01/219229401.db2.gz NHBDFKSJQPQTPC-IDMWQADZSA-N 0 0 327.405 2.407 40 0 EEABRN CC(C)n1[nH]ccc1=NC(=O)[C@H](C)Sc1nnc2n1CCCCC2 ZINC000103067176 219252019 /nfs/dbraw/zinc/25/20/19/219252019.db2.gz UYDQEQHUUFNZBN-DHPZXVACSA-N 0 0 348.476 2.323 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)oc1C ZINC000038489277 213211062 /nfs/dbraw/zinc/21/10/62/213211062.db2.gz YDJLJGSVTZXJSZ-UHFFFAOYSA-N 0 0 326.418 2.116 40 0 EEABRN Cc1cccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000184141121 235316304 /nfs/dbraw/zinc/31/63/04/235316304.db2.gz KUTXRUHWQWAIAM-UHFFFAOYSA-N 0 0 338.411 2.309 40 0 EEABRN CCCCOC(=O)c1cc(N)ccc1Sc1nnc(CC)n1N ZINC000070462470 215697770 /nfs/dbraw/zinc/69/77/70/215697770.db2.gz PQGXLRNEYTXVSF-UHFFFAOYSA-N 0 0 335.433 2.245 40 0 EEABRN O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187379735 236195618 /nfs/dbraw/zinc/19/56/18/236195618.db2.gz ABHYOYNAXAHRGT-KZNAEPCWSA-N 0 0 340.427 2.298 40 0 EEABRN Cc1ccn(CC(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)n1 ZINC000072242606 216081481 /nfs/dbraw/zinc/08/14/81/216081481.db2.gz HYCLDZJPZJUVHA-INIZCTEOSA-N 0 0 348.410 2.237 40 0 EEABRN Cc1nn(CCC(=O)N[C@H](C)C(=O)N2CCCCC2)c2ccccc12 ZINC000072250168 216084058 /nfs/dbraw/zinc/08/40/58/216084058.db2.gz ONWKFKUPPNQCMH-OAHLLOKOSA-N 0 0 342.443 2.252 40 0 EEABRN Nc1nc2nc([C@H]3CCN(C(=O)c4cncs4)C3)ccc2s1 ZINC000072368444 216174075 /nfs/dbraw/zinc/17/40/75/216174075.db2.gz FGFNBWSWYCHXJQ-QMMMGPOBSA-N 0 0 331.426 2.360 40 0 EEABRN COCCC(=O)N1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072383935 216185162 /nfs/dbraw/zinc/18/51/62/216185162.db2.gz PKWFALIFMFVLEE-UHFFFAOYSA-N 0 0 342.399 2.406 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]1C ZINC000190041467 238186669 /nfs/dbraw/zinc/18/66/69/238186669.db2.gz IWQNXWUZVJYAAJ-DTWKUNHWSA-N 0 0 348.296 2.419 40 0 EEABRN Cc1csc(CN(C[C@H]2CCCO2)C(=O)Cc2cc(C)on2)n1 ZINC000072531068 216269135 /nfs/dbraw/zinc/26/91/35/216269135.db2.gz VGWUUTVPUOGXCY-CQSZACIVSA-N 0 0 335.429 2.498 40 0 EEABRN CC[C@@H](OC1CCCC1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000072528497 216269457 /nfs/dbraw/zinc/26/94/57/216269457.db2.gz ORSIBWOWUXRUBD-UKRRQHHQSA-N 0 0 336.457 2.485 40 0 EEABRN C[C@@H]1CN=C(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)S1 ZINC000073118198 216351333 /nfs/dbraw/zinc/35/13/33/216351333.db2.gz YDWAFPBQTSYAPP-GFCCVEGCSA-N 0 0 328.441 2.417 40 0 EEABRN C[C@H](CO)CS[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000074785421 216520031 /nfs/dbraw/zinc/52/00/31/216520031.db2.gz DQBGCQGVSOWQHU-RDDDGLTNSA-N 0 0 336.226 2.476 40 0 EEABRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1ccnc1C(C)C ZINC000193329268 240110038 /nfs/dbraw/zinc/11/00/38/240110038.db2.gz JONJFVZNVNVZEF-INIZCTEOSA-N 0 0 341.411 2.133 40 0 EEABRN O=C(N[C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1)N1CC[C@@H](CO)C1 ZINC000195555469 241004679 /nfs/dbraw/zinc/00/46/79/241004679.db2.gz MSVJEQQYPTVHQS-XNRPHZJLSA-N 0 0 338.835 2.441 40 0 EEABRN O=C(NCC[C@H](O)C1CCOCC1)c1cc(-c2ccccc2)on1 ZINC000217918864 241283277 /nfs/dbraw/zinc/28/32/77/241283277.db2.gz KVEKWJFZEDRDDK-INIZCTEOSA-N 0 0 330.384 2.249 40 0 EEABRN O=C(Cn1ncccc1=O)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219120086 241364647 /nfs/dbraw/zinc/36/46/47/241364647.db2.gz GREUOJNSYCGQBA-HNNXBMFYSA-N 0 0 347.415 2.089 40 0 EEABRN CCOC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218615099 241334337 /nfs/dbraw/zinc/33/43/37/241334337.db2.gz CXRFJJSEEOVFIG-OKZBNKHCSA-N 0 0 349.427 2.499 40 0 EEABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000222825977 241566115 /nfs/dbraw/zinc/56/61/15/241566115.db2.gz QLDPVWOWUVCUMX-OAHLLOKOSA-N 0 0 340.423 2.401 40 0 EEABRN CCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000225983239 242083511 /nfs/dbraw/zinc/08/35/11/242083511.db2.gz GFKGJWKAVVKZSB-UHFFFAOYSA-N 0 0 346.452 2.499 40 0 EEABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 ZINC000021596150 212233289 /nfs/dbraw/zinc/23/32/89/212233289.db2.gz OLGZOOOAYGPFEW-UHFFFAOYSA-N 0 0 338.824 2.109 40 0 EEABRN CCOCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000230082247 242226814 /nfs/dbraw/zinc/22/68/14/242226814.db2.gz YPKHBYUNEPXSAM-QZTJIDSGSA-N 0 0 332.444 2.093 40 0 EEABRN CC[C@H](NC(=O)NC[C@](C)(O)c1ccco1)c1c(C)nn(C)c1C ZINC000076202633 216724062 /nfs/dbraw/zinc/72/40/62/216724062.db2.gz QAFHGPWIMMEVQC-GUYCJALGSA-N 0 0 334.420 2.288 40 0 EEABRN C[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C[C@H]1n1ccnc1 ZINC000245289625 243102990 /nfs/dbraw/zinc/10/29/90/243102990.db2.gz DBTOSCYNIITNAU-WMLDXEAASA-N 0 0 337.427 2.213 40 0 EEABRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N[C@@H]1COC[C@H]1O ZINC000245343920 243103746 /nfs/dbraw/zinc/10/37/46/243103746.db2.gz WMDFCCKAYMQOEJ-DUBDDPSESA-N 0 0 346.349 2.256 40 0 EEABRN COC(=O)[C@@H](F)CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000252494988 243807595 /nfs/dbraw/zinc/80/75/95/243807595.db2.gz OJXMMMYTHVLSSS-QWHCGFSZSA-N 0 0 333.306 2.172 40 0 EEABRN C[C@@H](C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccccn1 ZINC000252497811 243815248 /nfs/dbraw/zinc/81/52/48/243815248.db2.gz QRFCXRFBERTXDQ-DYVFJYSZSA-N 0 0 349.394 2.404 40 0 EEABRN CCO[C@@H]1CSC2(CN(C(=O)c3cccc4c3OCCO4)C2)C1 ZINC000253386610 243886413 /nfs/dbraw/zinc/88/64/13/243886413.db2.gz XHYLYUXQMGUPGR-LBPRGKRZSA-N 0 0 335.425 2.194 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2C)CC1 ZINC000020483383 212136492 /nfs/dbraw/zinc/13/64/92/212136492.db2.gz YGZCEKOBJABVBN-HNNXBMFYSA-N 0 0 334.416 2.453 40 0 EEABRN O=C(Cc1ccco1)N1CC2(C1)C[C@@H](Oc1cccnc1)CCO2 ZINC000253615599 244039329 /nfs/dbraw/zinc/03/93/29/244039329.db2.gz DLBIPLJYHGYEBP-HNNXBMFYSA-N 0 0 328.368 2.056 40 0 EEABRN COc1ccc(C(=O)N2CCN=C2Nc2nc(C)cc(C)n2)cc1 ZINC000020353410 212121256 /nfs/dbraw/zinc/12/12/56/212121256.db2.gz TWSIYFFMGGHFOE-UHFFFAOYSA-N 0 0 325.372 2.026 40 0 EEABRN CCc1nccn1CC(=O)N1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257224295 244195295 /nfs/dbraw/zinc/19/52/95/244195295.db2.gz FBELIBKNUWARQQ-INIZCTEOSA-N 0 0 335.411 2.426 40 0 EEABRN CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccs2)nc(C)n1 ZINC000257234341 244224565 /nfs/dbraw/zinc/22/45/65/244224565.db2.gz GTBOPUDHRQJEAS-LBPRGKRZSA-N 0 0 338.458 2.414 40 0 EEABRN CNC(=O)[C@@]1(C)CN(Cc2c(OC)ccc3ccccc32)CCO1 ZINC000257236919 244232268 /nfs/dbraw/zinc/23/22/68/244232268.db2.gz HEIIMDVVKIDNDV-LJQANCHMSA-N 0 0 328.412 2.185 40 0 EEABRN CNc1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)ccn1 ZINC000257236813 244233575 /nfs/dbraw/zinc/23/35/75/244233575.db2.gz HDWVCIXDOARBLB-AWEZNQCLSA-N 0 0 332.429 2.087 40 0 EEABRN CC(=O)N1CCN(C(=O)CCn2nccc2C)[C@H](c2ccccc2)C1 ZINC000257239801 244237464 /nfs/dbraw/zinc/23/74/64/244237464.db2.gz HQUZTFAOEQVXMM-SFHVURJKSA-N 0 0 340.427 2.014 40 0 EEABRN Cc1c(CN2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)cnn1C ZINC000257241656 244245657 /nfs/dbraw/zinc/24/56/57/244245657.db2.gz HYZCDGWBYMHGEE-HNNXBMFYSA-N 0 0 326.404 2.204 40 0 EEABRN CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2ccccc2F)n1 ZINC000257242978 244246876 /nfs/dbraw/zinc/24/68/76/244246876.db2.gz IFAWKRNWHPKBHD-MRXNPFEDSA-N 0 0 342.374 2.229 40 0 EEABRN Cc1nc(C)c(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)s1 ZINC000257276135 244392280 /nfs/dbraw/zinc/39/22/80/244392280.db2.gz NSLWYTPYESPVLP-GJZGRUSLSA-N 0 0 347.440 2.199 40 0 EEABRN CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000019946751 212089771 /nfs/dbraw/zinc/08/97/71/212089771.db2.gz SHDDVLAVTUCAKP-UHFFFAOYSA-N 0 0 332.425 2.245 40 0 EEABRN CCN(C)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1OC ZINC000257333838 244555955 /nfs/dbraw/zinc/55/59/55/244555955.db2.gz YDHMEMMIGQMVCY-QAPCUYQASA-N 0 0 348.443 2.100 40 0 EEABRN CCn1ncc(CN2CCc3nc4sccc4c(=O)n3CC2)c1C ZINC000019523982 212038578 /nfs/dbraw/zinc/03/85/78/212038578.db2.gz NBYYEKFNSJYGGB-UHFFFAOYSA-N 0 0 343.456 2.041 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 ZINC000019462835 212031223 /nfs/dbraw/zinc/03/12/23/212031223.db2.gz SQYVHMREEFBMJU-MWLCHTKSSA-N 0 0 335.358 2.424 40 0 EEABRN CC(=O)N1CCc2nc(C3CCN(C(=O)CC(C)C)CC3)ncc2C1 ZINC000019446277 212028633 /nfs/dbraw/zinc/02/86/33/212028633.db2.gz OXCDDYQTYKDWRJ-UHFFFAOYSA-N 0 0 344.459 2.133 40 0 EEABRN CCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@H](C)CS(=O)(=O)CC ZINC000079041690 284224583 /nfs/dbraw/zinc/22/45/83/284224583.db2.gz GCAFMJZTGSJTLF-MWLCHTKSSA-N 0 0 330.277 2.242 40 0 EEABRN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)cc1Cl ZINC000077939064 217003704 /nfs/dbraw/zinc/00/37/04/217003704.db2.gz YUZXZDNIDKKVMW-NOZJJQNGSA-N 0 0 328.771 2.085 40 0 EEABRN CS(=O)(=O)c1ccc(-c2noc(CCc3cscn3)n2)cc1 ZINC000078774901 217118446 /nfs/dbraw/zinc/11/84/46/217118446.db2.gz JQNGVGSUJHKRJS-UHFFFAOYSA-N 0 0 335.410 2.382 40 0 EEABRN CO[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000078879482 217137352 /nfs/dbraw/zinc/13/73/52/217137352.db2.gz OHHMSUSZPAYGLD-GJZGRUSLSA-N 0 0 334.416 2.500 40 0 EEABRN Cc1nc(CN2CCC(CNc3cc(C(N)=O)ccn3)CC2)oc1C ZINC000078882891 217138619 /nfs/dbraw/zinc/13/86/19/217138619.db2.gz BDSQGBXLUGNRRE-UHFFFAOYSA-N 0 0 343.431 2.109 40 0 EEABRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cn[nH]n3)cc2C1 ZINC000078917740 217147583 /nfs/dbraw/zinc/14/75/83/217147583.db2.gz AAZPUYKROFOLHJ-UHFFFAOYSA-N 0 0 343.387 2.350 40 0 EEABRN CCOC(=O)c1cnn(CC(=O)N[C@@H](C)c2ccco2)c1C(F)F ZINC000078995682 217168815 /nfs/dbraw/zinc/16/88/15/217168815.db2.gz XFIKNSWYQUMBBD-VIFPVBQESA-N 0 0 341.314 2.468 40 0 EEABRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccnc(Cl)c1 ZINC000078997536 217170016 /nfs/dbraw/zinc/17/00/16/217170016.db2.gz WMFBTWKCJIUREH-LBPRGKRZSA-N 0 0 333.750 2.409 40 0 EEABRN CN(C)c1cc(C(=O)N(C)Cc2cccc(C(N)=O)c2)cc(Cl)n1 ZINC000079039570 217179610 /nfs/dbraw/zinc/17/96/10/217179610.db2.gz GZXPJCGMBJNDTM-UHFFFAOYSA-N 0 0 346.818 2.172 40 0 EEABRN C[C@@H]1NC(=S)N(c2cccc(CS(=O)(=O)C(C)(C)C)c2)C1=O ZINC000079028218 217176627 /nfs/dbraw/zinc/17/66/27/217176627.db2.gz XHWMANFSKXHGIJ-JTQLQIEISA-N 0 0 340.470 2.010 40 0 EEABRN Cc1ccc(C[C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccn2)cc1 ZINC000079360654 217215358 /nfs/dbraw/zinc/21/53/58/217215358.db2.gz FPPVTMBTMGKPCZ-GOSISDBHSA-N 0 0 348.406 2.198 40 0 EEABRN Cc1cc(=O)n(C)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000080380715 217301075 /nfs/dbraw/zinc/30/10/75/217301075.db2.gz JUNCIUJNMLULDL-UHFFFAOYSA-N 0 0 325.368 2.073 40 0 EEABRN COc1cc(CNC(=O)N[C@H](C)Cn2ccnc2)c2ccccc2n1 ZINC000080599753 217316186 /nfs/dbraw/zinc/31/61/86/217316186.db2.gz MZJCVJCHMBMVJV-CYBMUJFWSA-N 0 0 339.399 2.328 40 0 EEABRN NS(=O)(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 ZINC000013817452 211645951 /nfs/dbraw/zinc/64/59/51/211645951.db2.gz QVPXVMFKRMMLJH-UHFFFAOYSA-N 0 0 349.481 2.253 40 0 EEABRN O=C(c1ccc(=O)[nH]c1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012337487 211351155 /nfs/dbraw/zinc/35/11/55/211351155.db2.gz GPULWYQOKALFEV-UHFFFAOYSA-N 0 0 340.379 2.371 40 0 EEABRN Cn1nc([C@H]2CCCN(C(=O)c3cccs3)C2)c2nccnc21 ZINC000012365098 211357429 /nfs/dbraw/zinc/35/74/29/211357429.db2.gz OOBPBIOLEWPOMW-NSHDSACASA-N 0 0 327.413 2.445 40 0 EEABRN CCCC(=O)N1CCC(c2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000012242077 211328827 /nfs/dbraw/zinc/32/88/27/211328827.db2.gz OMQSNJWZYNWQCS-UHFFFAOYSA-N 0 0 327.388 2.145 40 0 EEABRN Cc1oc2ncn3nc([C@@H](C)NC(=O)C4CCOCC4)nc3c2c1C ZINC000012236148 211327967 /nfs/dbraw/zinc/32/79/67/211327967.db2.gz DTKNCVDDBVQAIV-SNVBAGLBSA-N 0 0 343.387 2.091 40 0 EEABRN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000012143005 211304835 /nfs/dbraw/zinc/30/48/35/211304835.db2.gz CLCGPDDBMVLADW-UHFFFAOYSA-N 0 0 328.391 2.068 40 0 EEABRN CC(=O)c1cccc(NC(=O)N2CCC(O)(c3nccn3C)CC2)c1 ZINC000012144592 211304760 /nfs/dbraw/zinc/30/47/60/211304760.db2.gz WKIKLABUOJAGEE-UHFFFAOYSA-N 0 0 342.399 2.138 40 0 EEABRN CCn1c2ncccc2n(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1=O ZINC000012117472 211296295 /nfs/dbraw/zinc/29/62/95/211296295.db2.gz DEBKVKIGLLOTQH-GJZGRUSLSA-N 0 0 342.443 2.399 40 0 EEABRN C[C@H](NC(=O)Cc1cccc(F)c1)c1nnc(-c2ccncc2)[nH]1 ZINC000012114856 211294723 /nfs/dbraw/zinc/29/47/23/211294723.db2.gz JOYNJSBXYOWTBX-NSHDSACASA-N 0 0 325.347 2.426 40 0 EEABRN O=C(c1cccnc1)N1[C@@H]2CC[C@H]1Cn1c(=O)c3ccccc3nc1C2 ZINC000072327380 284717168 /nfs/dbraw/zinc/71/71/68/284717168.db2.gz NYNMPWGNUBSGHA-CABCVRRESA-N 0 0 346.390 2.021 40 0 EEABRN CCCCn1c(=O)[nH]c(=O)c2c(-c3ccc4c(c3)OCO4)ccnc21 ZINC000010339026 211165212 /nfs/dbraw/zinc/16/52/12/211165212.db2.gz STYFYZFYEIDGBE-UHFFFAOYSA-N 0 0 339.351 2.281 40 0 EEABRN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1=COCCC1 ZINC000095393959 218325728 /nfs/dbraw/zinc/32/57/28/218325728.db2.gz LGFUTMFEUVQZBB-CYBMUJFWSA-N 0 0 345.317 2.256 40 0 EEABRN Cn1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)cn1 ZINC000095400405 218334452 /nfs/dbraw/zinc/33/44/52/218334452.db2.gz BEXCQDYHPGEVQK-UHFFFAOYSA-N 0 0 333.442 2.176 40 0 EEABRN Cn1cc(Cl)cc1CNC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000095416818 218356226 /nfs/dbraw/zinc/35/62/26/218356226.db2.gz JPIPKZHGERSVIH-HNNXBMFYSA-N 0 0 334.807 2.436 40 0 EEABRN CC1(C)CCC(=CC(=O)N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000095433538 218375583 /nfs/dbraw/zinc/37/55/83/218375583.db2.gz CQFAXMPWSMSKNF-UHFFFAOYSA-N 0 0 328.478 2.053 40 0 EEABRN COc1cc(Cn2cnc3c(cnn3-c3ccccc3C)c2=O)ccn1 ZINC000095447117 218390498 /nfs/dbraw/zinc/39/04/98/218390498.db2.gz RRXCKXXDGSOWNY-UHFFFAOYSA-N 0 0 347.378 2.343 40 0 EEABRN C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000095448679 218392691 /nfs/dbraw/zinc/39/26/91/218392691.db2.gz AJBHWWRHWLCQJB-MKBNYLNASA-N 0 0 339.386 2.268 40 0 EEABRN COc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000007769889 210843390 /nfs/dbraw/zinc/84/33/90/210843390.db2.gz PWYLDPMUTHJYKJ-UHFFFAOYSA-N 0 0 328.368 2.374 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1OC)C2 ZINC000096039286 218520948 /nfs/dbraw/zinc/52/09/48/218520948.db2.gz MKALHGJYRFOKOR-MJGOQNOKSA-N 0 0 349.427 2.118 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049564 218539136 /nfs/dbraw/zinc/53/91/36/218539136.db2.gz HYTJDPWLKDQGRD-IBGZPJMESA-N 0 0 341.411 2.434 40 0 EEABRN Cc1cnc(N2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@@H]32)nc1 ZINC000096082614 218582183 /nfs/dbraw/zinc/58/21/83/218582183.db2.gz RLGOQWHFLBRYIB-HYVNUMGLSA-N 0 0 325.416 2.276 40 0 EEABRN Cc1nc(-c2ccccc2)nc2c1CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096083795 218583160 /nfs/dbraw/zinc/58/31/60/218583160.db2.gz TZQAVJZGSFLLLA-MRXNPFEDSA-N 0 0 337.423 2.416 40 0 EEABRN Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cnc(C)cn4)CC3)O2)n1 ZINC000096109945 218605186 /nfs/dbraw/zinc/60/51/86/218605186.db2.gz ODUAZYSRLCUPGN-AWEZNQCLSA-N 0 0 343.387 2.003 40 0 EEABRN O=C(c1ccncn1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096217306 218691139 /nfs/dbraw/zinc/69/11/39/218691139.db2.gz LJJFPRUKNMDPQG-BEFAXECRSA-N 0 0 338.411 2.331 40 0 EEABRN O=C1CCN(S(=O)(=O)c2ccc(Cl)s2)c2ncccc2N1 ZINC000253431823 296323402 /nfs/dbraw/zinc/32/34/02/296323402.db2.gz UHGZWXWHJLYUHI-UHFFFAOYSA-N 0 0 343.817 2.334 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000096422361 218789120 /nfs/dbraw/zinc/78/91/20/218789120.db2.gz UZAOXNXTFOGKFU-NSHDSACASA-N 0 0 344.390 2.485 40 0 EEABRN Cc1cccc(CC(=O)Nc2nonc2C(=O)N2CCCCC2)c1 ZINC000096425562 218794546 /nfs/dbraw/zinc/79/45/46/218794546.db2.gz IECJCIVSKJZHNB-UHFFFAOYSA-N 0 0 328.372 2.185 40 0 EEABRN O=S(=O)(CCc1ccccc1)NC[C@H](O)c1c(F)cccc1F ZINC000096428197 218800870 /nfs/dbraw/zinc/80/08/70/218800870.db2.gz QWJLULNTFORXAY-HNNXBMFYSA-N 0 0 341.379 2.160 40 0 EEABRN C[C@@H](Cc1cccc(F)c1)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000096440399 218820903 /nfs/dbraw/zinc/82/09/03/218820903.db2.gz OROUHXZBOPZENA-AWEZNQCLSA-N 0 0 346.406 2.272 40 0 EEABRN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccon2)CC1 ZINC000096440106 218821178 /nfs/dbraw/zinc/82/11/78/218821178.db2.gz SGGRCACXWWPWHJ-FUHWJXTLSA-N 0 0 340.427 2.306 40 0 EEABRN COCCn1cc(NC(=O)N(C)Cc2nc3ccccc3n2C)cn1 ZINC000096444419 218825724 /nfs/dbraw/zinc/82/57/24/218825724.db2.gz MHUSZIOVCNTQAT-UHFFFAOYSA-N 0 0 342.403 2.080 40 0 EEABRN C[C@H](Cn1cncn1)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000096451183 218834377 /nfs/dbraw/zinc/83/43/77/218834377.db2.gz HDGGNVMWSKISDQ-MRVPVSSYSA-N 0 0 330.722 2.351 40 0 EEABRN CCC[C@@H]1CN(C(=O)NCc2nc(-c3cccs3)n[nH]2)CCO1 ZINC000096485460 218862432 /nfs/dbraw/zinc/86/24/32/218862432.db2.gz BKHULYUCAFGBIB-LLVKDONJSA-N 0 0 335.433 2.244 40 0 EEABRN Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2N)cc1Cl ZINC000004984770 210349760 /nfs/dbraw/zinc/34/97/60/210349760.db2.gz RSMLCOOASDCDCV-UHFFFAOYSA-N 0 0 331.763 2.334 40 0 EEABRN CC[C@]1(C)CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000097238020 219003050 /nfs/dbraw/zinc/00/30/50/219003050.db2.gz QGGDQBIDYJUTRV-QGZVFWFLSA-N 0 0 329.404 2.323 40 0 EEABRN CC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000097372659 219016733 /nfs/dbraw/zinc/01/67/33/219016733.db2.gz BYDUICJNLMKVQU-SECBINFHSA-N 0 0 346.280 2.378 40 0 EEABRN O=C1N[C@H](c2c(F)cccc2OC(F)(F)F)N2CCSC[C@@H]12 ZINC000252491785 296394160 /nfs/dbraw/zinc/39/41/60/296394160.db2.gz LTFUSOAXGKQDBZ-KWQFWETISA-N 0 0 336.310 2.270 40 0 EEABRN COc1cc2[nH]c(=NN)n(-c3ccc(C)cc3C)c(=O)c2cc1OC ZINC000408712642 533177868 /nfs/dbraw/zinc/17/78/68/533177868.db2.gz DNHYJTYNVHGFAC-UHFFFAOYSA-N 0 0 340.383 2.305 40 0 EEABRN Cn1ccc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000267088510 256025859 /nfs/dbraw/zinc/02/58/59/256025859.db2.gz PCYOAWIOHVQPIQ-UHFFFAOYSA-N 0 0 339.399 2.198 40 0 EEABRN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 ZINC000514289629 257845947 /nfs/dbraw/zinc/84/59/47/257845947.db2.gz MONJHGHLDQIWMM-HIFRSBDPSA-N 0 0 334.391 2.306 40 0 biogenic,in-vitro EEABRN COc1ccc(-n2nc(-c3nc(C[S@@](C)=O)no3)cc2C)cc1 ZINC000274084808 257996757 /nfs/dbraw/zinc/99/67/57/257996757.db2.gz ZJFKKLNTBZJNIE-HSZRJFAPSA-N 0 0 332.385 2.118 40 0 EEABRN O=C(CN1CCN(C2CCCC2)C(=O)C1)N1CCCc2ccccc21 ZINC000036752890 132392604 /nfs/dbraw/zinc/39/26/04/132392604.db2.gz KHAPVNUEHYXIHG-UHFFFAOYSA-N 0 0 341.455 2.053 40 0 EEABRN Cc1ccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)cc1F ZINC000085470921 132820892 /nfs/dbraw/zinc/82/08/92/132820892.db2.gz VTHUCYBFYBNPQI-UHFFFAOYSA-N 0 0 344.390 2.083 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cc1ccncc1 ZINC000012223114 292026254 /nfs/dbraw/zinc/02/62/54/292026254.db2.gz JCPDILCTCDOIMF-GOEBONIOSA-N 0 0 333.395 2.264 40 0 EEABRN O=C(NCc1cccc(N2CCOCC2)n1)c1nccc2ccccc21 ZINC000274796516 135633897 /nfs/dbraw/zinc/63/38/97/135633897.db2.gz MNZWYXLRSSNUSL-UHFFFAOYSA-N 0 0 348.406 2.396 40 0 EEABRN Cc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccco2)n2nnnc2N3)cc1 ZINC000111999962 292033786 /nfs/dbraw/zinc/03/37/86/292033786.db2.gz SFUIRLBZFQBXBE-OAHLLOKOSA-N 0 0 347.338 2.432 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)nc1 ZINC000096181736 292157128 /nfs/dbraw/zinc/15/71/28/292157128.db2.gz QCRBNBYNYWMDER-IAGOWNOFSA-N 0 0 343.358 2.066 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCC[C@@H](O)C(F)(F)F)C12CCCC2 ZINC000195531412 286360247 /nfs/dbraw/zinc/36/02/47/286360247.db2.gz NDVTVLAAVJPCQP-QJPTWQEYSA-N 0 0 338.370 2.337 40 0 EEABRN C[S@@](=O)c1ccc(NC(=O)N2CCCN(CC(F)F)CC2)cc1 ZINC000162601570 225835873 /nfs/dbraw/zinc/83/58/73/225835873.db2.gz LHNDLZWAGCJEED-QHCPKHFHSA-N 0 0 345.415 2.229 40 0 EEABRN C[C@H]1CN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CCCO1 ZINC000171305275 227004327 /nfs/dbraw/zinc/00/43/27/227004327.db2.gz XQUFDDPUEGSJHA-RDJZCZTQSA-N 0 0 345.443 2.171 40 0 EEABRN CCn1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000057355374 273780738 /nfs/dbraw/zinc/78/07/38/273780738.db2.gz GGOMYOFZJUBJQO-WMLDXEAASA-N 0 0 326.400 2.451 40 0 EEABRN COC(=O)[C@H]1SC(c2ccccc2)=C(C)[C@@H]2C1C(=O)C(=O)N2OC ZINC000019691680 277141642 /nfs/dbraw/zinc/14/16/42/277141642.db2.gz NHQMETNLVFSHSR-DOMZBBRYSA-N 0 0 347.392 2.290 40 0 EEABRN CC(C)CCn1ccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000089271944 278801928 /nfs/dbraw/zinc/80/19/28/278801928.db2.gz QYYHLPCXILUNDL-MRXNPFEDSA-N 0 0 349.479 2.258 40 0 EEABRN Cn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)cn1 ZINC000057354964 279343957 /nfs/dbraw/zinc/34/39/57/279343957.db2.gz AIAWMYOLNJNYNR-CJNGLKHVSA-N 0 0 330.363 2.107 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1cccc(F)c1 ZINC000072241785 289813977 /nfs/dbraw/zinc/81/39/77/289813977.db2.gz YDZGNWKKDHUACJ-DLBZAZTESA-N 0 0 334.391 2.127 40 0 EEABRN CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000295356502 293693674 /nfs/dbraw/zinc/69/36/74/293693674.db2.gz OQFBCOZRYDIYRL-CQSZACIVSA-N 0 0 335.469 2.462 40 0 EEABRN Cn1cc(C(=O)N2Cc3cncn3[C@H](COCC3CCCC3)C2)cn1 ZINC000248144456 294218252 /nfs/dbraw/zinc/21/82/52/294218252.db2.gz RMWQVZMMBCMMKC-KRWDZBQOSA-N 0 0 343.431 2.021 40 0 EEABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cscn1 ZINC000257292334 295409924 /nfs/dbraw/zinc/40/99/24/295409924.db2.gz QLAHDEFZPHNMHN-OAHLLOKOSA-N 0 0 345.424 2.197 40 0 EEABRN Cc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C)n3)OCC(=O)N2C)cc1 ZINC000096181488 301845469 /nfs/dbraw/zinc/84/54/69/301845469.db2.gz WKSCKMIPBMNDCN-ROUUACIJSA-N 0 0 339.395 2.235 40 0 EEABRN Cc1ccccc1C[C@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000178815936 302101948 /nfs/dbraw/zinc/10/19/48/302101948.db2.gz AQJLVTREGGPXSV-DZGCQCFKSA-N 0 0 340.489 2.006 40 0 EEABRN CC1(C)OCC[C@@H]1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000333176944 312106599 /nfs/dbraw/zinc/10/65/99/312106599.db2.gz KTKVWEPCFUTVKH-CVEARBPZSA-N 0 0 340.464 2.314 40 0 EEABRN Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)cn1 ZINC000333872468 312208040 /nfs/dbraw/zinc/20/80/40/312208040.db2.gz BYJOSRSBCDJOMI-MRXNPFEDSA-N 0 0 331.441 2.379 40 0 EEABRN C[C@@H]1NC(=S)N(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000071888431 323319506 /nfs/dbraw/zinc/31/95/06/323319506.db2.gz CAQHSTOLSHQANS-NWDGAFQWSA-N 0 0 341.477 2.129 40 0 EEABRN C[C@H](NC(=O)NC1Cc2ccccc2C1)c1nnnn1-c1ccccc1 ZINC000097377429 323322307 /nfs/dbraw/zinc/32/23/07/323322307.db2.gz XHDRNKIFJBPVCY-ZDUSSCGKSA-N 0 0 348.410 2.190 40 0 EEABRN CC(C)c1ccc(CCNC(=O)C[S@](=O)C2CCOCC2)cc1 ZINC000194623225 323501426 /nfs/dbraw/zinc/50/14/26/323501426.db2.gz HQAPTIQIXURHCZ-QHCPKHFHSA-N 0 0 337.485 2.396 40 0 EEABRN Cc1nnc(CNS(=O)(=O)c2cc(C)c(F)c(C)c2)n1C1CC1 ZINC000195570883 323515186 /nfs/dbraw/zinc/51/51/86/323515186.db2.gz VUXWTXQXRQSWLY-UHFFFAOYSA-N 0 0 338.408 2.156 40 0 EEABRN O=C1CN(S(=O)(=O)c2cccc(Cl)c2F)c2ccncc2N1 ZINC000390833374 323545401 /nfs/dbraw/zinc/54/54/01/323545401.db2.gz GSNAMYDGOAFURC-UHFFFAOYSA-N 0 0 341.751 2.022 40 0 EEABRN COc1ccc(C=C2NC(=S)N(c3cn(C)nc3C)C2=O)cc1 ZINC000002537687 462595382 /nfs/dbraw/zinc/59/53/82/462595382.db2.gz JZNBGEWDDFNQRE-JYRVWZFOSA-N 0 0 328.397 2.411 40 0 EEABRN CCn1c([C@@H](CO)NC(=O)c2ccccc2Cl)n[nH]c1=S ZINC000085400196 462543842 /nfs/dbraw/zinc/54/38/42/462543842.db2.gz RLASZPXLHQFSJH-SNVBAGLBSA-N 0 0 326.809 2.077 40 0 EEABRN Cc1cc(NC(=O)N2CC[C@@H](C(=O)N(C)C)C2)nn1C1CCCCC1 ZINC000333815546 465033205 /nfs/dbraw/zinc/03/32/05/465033205.db2.gz QGZPQNSPLIFTRH-CQSZACIVSA-N 0 0 347.463 2.639 40 0 EEABRN O=C(N[C@H]1C[C@@H](O)[C@H](CO)C1)C(c1ccccc1)c1ccccc1 ZINC000085469057 462549521 /nfs/dbraw/zinc/54/95/21/462549521.db2.gz WMUAAZJXGNEHOY-RCCFBDPRSA-N 0 0 325.408 2.067 40 0 EEABRN Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)c3ccccc3)C2)n1 ZINC000085555911 462553011 /nfs/dbraw/zinc/55/30/11/462553011.db2.gz SZUWWHXSJRELQF-OAHLLOKOSA-N 0 0 349.394 2.449 40 0 EEABRN CC(C)(C)NC(=O)CSc1nnc(NC(=O)C2CCC2)s1 ZINC000001381520 462580188 /nfs/dbraw/zinc/58/01/88/462580188.db2.gz BCAUEOLJFLKQBY-UHFFFAOYSA-N 0 0 328.463 2.284 40 0 EEABRN CCCNC(=O)N[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002713502 462601038 /nfs/dbraw/zinc/60/10/38/462601038.db2.gz QIFDQAGTBGXUCW-ZDUSSCGKSA-N 0 0 345.852 2.160 40 0 EEABRN CN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000113935598 462616316 /nfs/dbraw/zinc/61/63/16/462616316.db2.gz IWNUUJYPICWSOM-UHFFFAOYSA-N 0 0 336.388 2.152 40 0 EEABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)c(Cl)c1 ZINC000113948273 462617987 /nfs/dbraw/zinc/61/79/87/462617987.db2.gz IWBHHOADUVUNKF-UHFFFAOYSA-N 0 0 339.804 2.037 40 0 EEABRN O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000003956094 462626172 /nfs/dbraw/zinc/62/61/72/462626172.db2.gz KSMVPJGXUMETLI-UHFFFAOYSA-N 0 0 337.427 2.394 40 0 EEABRN CC[C@@H](C)N1c2ccccc2[C@](O)([C@@H]2COC(C)(C)CC2=O)C1=O ZINC000004027438 462626314 /nfs/dbraw/zinc/62/63/14/462626314.db2.gz JAIOBOFIGKVRCE-TVZGQMOCSA-N 0 0 331.412 2.404 40 0 EEABRN CCN1CCN(c2c(N)cc(Cl)c(N)c2Br)CC1 ZINC000045891340 462628432 /nfs/dbraw/zinc/62/84/32/462628432.db2.gz SZVOCDZMBSNLQO-UHFFFAOYSA-N 0 0 333.661 2.409 40 0 EEABRN O[C@@H]1OC[C@H](COc2cc(Cl)c(Cl)cc2Cl)O[C@H]1O ZINC000005722640 462667603 /nfs/dbraw/zinc/66/76/03/462667603.db2.gz JGIHPWVJUMJHHI-MOFQHXFTSA-N 0 0 329.563 2.078 40 0 EEABRN Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)c(C)c1 ZINC000006189711 462679899 /nfs/dbraw/zinc/67/98/99/462679899.db2.gz BSKUDKDSTXVPDB-HOCLYGCPSA-N 0 0 334.416 2.470 40 0 EEABRN COC(=O)CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O ZINC000006440800 462686437 /nfs/dbraw/zinc/68/64/37/462686437.db2.gz FKXIFXYCMUUVMU-KPKJPENVSA-N 0 0 345.332 2.002 40 0 EEABRN O=C(Nc1ccncc1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 ZINC000006475645 462686694 /nfs/dbraw/zinc/68/66/94/462686694.db2.gz RAPSEEFDKDUXQI-UHFFFAOYSA-N 0 0 325.368 2.415 40 0 EEABRN CN1CCN(c2cc(NC(=O)Cc3ccc(Cl)cc3)ncn2)CC1 ZINC000075166215 462690899 /nfs/dbraw/zinc/69/08/99/462690899.db2.gz OHYCCNUWJJCFPH-UHFFFAOYSA-N 0 0 345.834 2.063 40 0 EEABRN COCCC[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000006579829 462691174 /nfs/dbraw/zinc/69/11/74/462691174.db2.gz XGRDXMDEXOOMKL-NSHDSACASA-N 0 0 349.214 2.401 40 0 EEABRN CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006597247 462692566 /nfs/dbraw/zinc/69/25/66/462692566.db2.gz BFIIDVCADJSNHW-NSHDSACASA-N 0 0 332.853 2.313 40 0 EEABRN COc1ccc(NC(=O)C[C@H]([NH2+]CCC(C)C)C(=O)[O-])c(OC)c1 ZINC000006883274 462710733 /nfs/dbraw/zinc/71/07/33/462710733.db2.gz RHXXMIYTVVHAPF-AWEZNQCLSA-N 0 0 338.404 2.121 40 0 EEABRN COc1cccc(NC(=O)CCNC(=O)C(C)(C)Br)c1 ZINC000008733194 462793531 /nfs/dbraw/zinc/79/35/31/462793531.db2.gz GNQQHMSWOWRHPM-UHFFFAOYSA-N 0 0 343.221 2.314 40 0 EEABRN COc1ccc(OC)c(NC(=O)C(=O)NCCCc2ccccc2)c1 ZINC000009855444 462808617 /nfs/dbraw/zinc/80/86/17/462808617.db2.gz WHOGBDPTHVIWIY-UHFFFAOYSA-N 0 0 342.395 2.391 40 0 EEABRN CCn1ccnc(N2CCC(OCc3ccccc3OC)CC2)c1=O ZINC000091017509 462819609 /nfs/dbraw/zinc/81/96/09/462819609.db2.gz VQEKGWBRBRPBSE-UHFFFAOYSA-N 0 0 343.427 2.457 40 0 EEABRN O=S(=O)(c1ccc2c(c1)CCN2)N1CCN(c2ccccc2)CC1 ZINC000011755744 462839772 /nfs/dbraw/zinc/83/97/72/462839772.db2.gz ZTKGHTJYFGCMML-UHFFFAOYSA-N 0 0 343.452 2.166 40 0 EEABRN COc1ccc2c(c1)[nH]cc(NC(=O)NCCc1ccncc1)c2=O ZINC000013566028 462895127 /nfs/dbraw/zinc/89/51/27/462895127.db2.gz IGVNYSQEWRCQDB-UHFFFAOYSA-N 0 0 338.367 2.296 40 0 EEABRN O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nn1cnnc1 ZINC000014405996 462927210 /nfs/dbraw/zinc/92/72/10/462927210.db2.gz OZQDZOGYFSYUMP-ZHACJKMWSA-N 0 0 333.351 2.314 40 0 EEABRN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000048940565 462945677 /nfs/dbraw/zinc/94/56/77/462945677.db2.gz VNXZNBUDDPLIJH-JOYOIKCWSA-N 0 0 340.221 2.169 40 0 EEABRN COc1ccccc1NC(=O)CCNC(=O)C(C)(C)Br ZINC000015423066 462952979 /nfs/dbraw/zinc/95/29/79/462952979.db2.gz RSIAXIJOUMPVCE-UHFFFAOYSA-N 0 0 343.221 2.314 40 0 EEABRN CCCc1c(NC(=O)c2ccccc2OCC)c(C(N)=O)nn1C ZINC000077292228 462964103 /nfs/dbraw/zinc/96/41/03/462964103.db2.gz HFNOLZIPTBNLMC-UHFFFAOYSA-N 0 0 330.388 2.123 40 0 in-vitro EEABRN O=C(Nc1ccccc1Cl)[C@H]1C=C([O-])NC(N2CCCCC2)=[NH+]1 ZINC000017070555 462994803 /nfs/dbraw/zinc/99/48/03/462994803.db2.gz HFNSEZZDQONOBO-CYBMUJFWSA-N 0 0 334.807 2.009 40 0 EEABRN COCCCn1ccc(NC(=O)NCCc2sc(C)nc2C)n1 ZINC000077514835 462998992 /nfs/dbraw/zinc/99/89/92/462998992.db2.gz JNFQOFBLTGJRDK-UHFFFAOYSA-N 0 0 337.449 2.357 40 0 EEABRN COc1c(C)cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000018102085 463005920 /nfs/dbraw/zinc/00/59/20/463005920.db2.gz FOLSGDMMUXUCQN-TXEJJXNPSA-N 0 0 327.446 2.418 40 0 EEABRN Cc1nc(C)n(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 ZINC000019285781 463016595 /nfs/dbraw/zinc/01/65/95/463016595.db2.gz QZAINWFFDGWGEB-MRXNPFEDSA-N 0 0 341.440 2.452 40 0 EEABRN CCC(=O)N1Cc2cn(C)nc2[C@H](C(=O)Nc2ccccc2F)C1 ZINC000019701564 463021060 /nfs/dbraw/zinc/02/10/60/463021060.db2.gz XWBDRBBFWWICAH-GFCCVEGCSA-N 0 0 330.363 2.034 40 0 EEABRN Cc1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 ZINC000019946425 463022411 /nfs/dbraw/zinc/02/24/11/463022411.db2.gz VRNTVJLBAPPZAL-UHFFFAOYSA-N 0 0 346.452 2.120 40 0 EEABRN Cc1nc(-c2cccc(NC(=O)C(=O)NCC3(C)CCCC3)c2)n[nH]1 ZINC000077761100 463040063 /nfs/dbraw/zinc/04/00/63/463040063.db2.gz RFCYPRFWBWRXHG-UHFFFAOYSA-N 0 0 341.415 2.415 40 0 EEABRN CCc1cccc(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000134685716 463070672 /nfs/dbraw/zinc/07/06/72/463070672.db2.gz CGNFPIAZKNSTDN-LSDHHAIUSA-N 0 0 327.471 2.144 40 0 EEABRN O=C(NC1CC1)[C@@H]1CCCN1c1nnc(Cc2ccccc2)s1 ZINC000134895975 463093615 /nfs/dbraw/zinc/09/36/15/463093615.db2.gz JTWILYRKRQSNPR-AWEZNQCLSA-N 0 0 328.441 2.376 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1OC)C2 ZINC000096039288 463143850 /nfs/dbraw/zinc/14/38/50/463143850.db2.gz MKALHGJYRFOKOR-HKUYNNGSSA-N 0 0 349.427 2.118 40 0 EEABRN CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2c(c1)OCCCO2 ZINC000096042014 463146767 /nfs/dbraw/zinc/14/67/67/463146767.db2.gz CZORSJCEPVEDET-QILLFSRXSA-N 0 0 347.411 2.256 40 0 EEABRN O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 ZINC000096048517 463151268 /nfs/dbraw/zinc/15/12/68/463151268.db2.gz NGBZAXIGMKGESN-CXAGYDPISA-N 0 0 346.362 2.085 40 0 EEABRN Cc1ccc(CN2CCO[C@@]3(CCCN(c4nnc(C)o4)C3)C2)o1 ZINC000096049198 463153421 /nfs/dbraw/zinc/15/34/21/463153421.db2.gz PEOXCYBNVADRIS-KRWDZBQOSA-N 0 0 332.404 2.151 40 0 EEABRN CCS(=O)(=O)N1CCc2nc(-c3ccccc3)nc(C)c2CC1 ZINC000096083793 463170318 /nfs/dbraw/zinc/17/03/18/463170318.db2.gz RCNCFMHNFDOVGX-UHFFFAOYSA-N 0 0 331.441 2.202 40 0 EEABRN Cc1cccnc1CN1C[C@@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 ZINC000096112163 463180063 /nfs/dbraw/zinc/18/00/63/463180063.db2.gz AGYSIGVVNHEYOY-CJNGLKHVSA-N 0 0 341.390 2.400 40 0 biogenic,in-vitro EEABRN COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C)n2)CC1=O ZINC000027655176 463200074 /nfs/dbraw/zinc/20/00/74/463200074.db2.gz QYVNHFKAFOZDPZ-ZDUSSCGKSA-N 0 0 325.368 2.390 40 0 EEABRN CCc1cnc(N2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000096219161 463216492 /nfs/dbraw/zinc/21/64/92/463216492.db2.gz WBANSYWKJZPWQV-KBXCAEBGSA-N 0 0 343.406 2.423 40 0 EEABRN CCN(CC)c1ccnc([C@H]2COCCN2Cc2cccnc2)n1 ZINC000096220549 463217224 /nfs/dbraw/zinc/21/72/24/463217224.db2.gz AWJISVLEPCZUND-MRXNPFEDSA-N 0 0 327.432 2.291 40 0 EEABRN O=C(c1ccnnc1)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 ZINC000096224493 463219077 /nfs/dbraw/zinc/21/90/77/463219077.db2.gz WVOXBWRBYOOGIN-LJQANCHMSA-N 0 0 336.395 2.136 40 0 EEABRN O=C(c1cc[nH]n1)N1CCC[C@@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222708 463219721 /nfs/dbraw/zinc/21/97/21/463219721.db2.gz MVTICBXFLWLAGW-MAUKXSAKSA-N 0 0 326.400 2.286 40 0 EEABRN O=C(NCc1ccncc1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096227498 463222139 /nfs/dbraw/zinc/22/21/39/463222139.db2.gz LVWWUYIMVAGPLR-XLIONFOSSA-N 0 0 335.407 2.250 40 0 EEABRN COc1cccc(N2C[C@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)c1 ZINC000096238948 463224861 /nfs/dbraw/zinc/22/48/61/463224861.db2.gz XPFCQBBGXUOZDR-LJQANCHMSA-N 0 0 343.427 2.340 40 0 EEABRN Cc1ccc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)o1 ZINC000096259125 463229877 /nfs/dbraw/zinc/22/98/77/463229877.db2.gz GDPMHHJPAIUQSL-UHFFFAOYSA-N 0 0 328.416 2.463 40 0 EEABRN CN(C)C(=O)c1nc2c(s1)CCN(C(=O)Cc1ccccc1)CC2 ZINC000096264791 463231876 /nfs/dbraw/zinc/23/18/76/463231876.db2.gz SAFZIZJDEYLMOS-UHFFFAOYSA-N 0 0 343.452 2.015 40 0 EEABRN CC(=O)Cc1csc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)O2)n1 ZINC000096306144 463235160 /nfs/dbraw/zinc/23/51/60/463235160.db2.gz DITVPYNSNIYVBP-CQSZACIVSA-N 0 0 344.392 2.303 40 0 EEABRN C[C@H](NC(=O)C1CCC1)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407890 463241909 /nfs/dbraw/zinc/24/19/09/463241909.db2.gz XBXZCOWAYIXJRH-GUYCJALGSA-N 0 0 346.471 2.439 40 0 EEABRN C[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N(C)c1ccccc1 ZINC000096408934 463242733 /nfs/dbraw/zinc/24/27/33/463242733.db2.gz MVLBBXCQVAZHAN-PSLXWICFSA-N 0 0 339.505 2.358 40 0 EEABRN C[C@@H]1[C@H](C)N(C(=O)c2cccc(Br)c2)CCS1(=O)=O ZINC000096412815 463244714 /nfs/dbraw/zinc/24/47/14/463244714.db2.gz QIZKRCPCPSNZLX-VHSXEESVSA-N 0 0 346.246 2.097 40 0 EEABRN CS(=O)(=O)CCCNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000096415361 463248003 /nfs/dbraw/zinc/24/80/03/463248003.db2.gz OZGNFEQIBMHQHZ-HOTGVXAUSA-N 0 0 338.473 2.132 40 0 EEABRN CCc1noc(CN(C)C(=O)c2cccc(OCC(F)(F)F)n2)n1 ZINC000096416981 463249582 /nfs/dbraw/zinc/24/95/82/463249582.db2.gz ALYDBGZZLARDRZ-UHFFFAOYSA-N 0 0 344.293 2.240 40 0 EEABRN Cc1ccn(-c2ccc(N3CCC(OC4CCOCC4)CC3)nn2)n1 ZINC000096419448 463250168 /nfs/dbraw/zinc/25/01/68/463250168.db2.gz OOCHORZUWQDWCF-UHFFFAOYSA-N 0 0 343.431 2.135 40 0 EEABRN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000096423618 463253501 /nfs/dbraw/zinc/25/35/01/463253501.db2.gz WFHRBXSDIJMUPM-CQSZACIVSA-N 0 0 336.457 2.212 40 0 EEABRN CN(Cc1ccccn1)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000096426248 463255720 /nfs/dbraw/zinc/25/57/20/463255720.db2.gz DTUZSHGCRZNMCR-KRWDZBQOSA-N 0 0 338.411 2.130 40 0 EEABRN CCOC(=O)NCCNC(=O)c1cc(Br)ccc1C ZINC000096426441 463256209 /nfs/dbraw/zinc/25/62/09/463256209.db2.gz SFKHKLGQQKNTFY-UHFFFAOYSA-N 0 0 329.194 2.233 40 0 EEABRN Cc1noc(-c2cccnc2N2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000096427325 463257240 /nfs/dbraw/zinc/25/72/40/463257240.db2.gz XZVMZKYTNBBZQH-AWEZNQCLSA-N 0 0 341.415 2.183 40 0 EEABRN Cc1cccnc1CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096427926 463257992 /nfs/dbraw/zinc/25/79/92/463257992.db2.gz KNZZUHPMEVTBRB-UHFFFAOYSA-N 0 0 346.387 2.193 40 0 EEABRN O=C(Nc1cccc(OCc2nnnn2C2CC2)c1)c1ccco1 ZINC000096428936 463259055 /nfs/dbraw/zinc/25/90/55/463259055.db2.gz PJNAAVDGHQKUJD-UHFFFAOYSA-N 0 0 325.328 2.432 40 0 EEABRN C[C@H](C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000096432203 463260903 /nfs/dbraw/zinc/26/09/03/463260903.db2.gz HBBIAQINGHQHIL-WDEREUQCSA-N 0 0 339.442 2.046 40 0 EEABRN O=C(Cn1ccccc1=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000096431847 463261231 /nfs/dbraw/zinc/26/12/31/463261231.db2.gz DEGZGKOGWWUYLK-OAHLLOKOSA-N 0 0 328.437 2.489 40 0 EEABRN CCc1cc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)n[nH]1 ZINC000096436233 463263404 /nfs/dbraw/zinc/26/34/04/463263404.db2.gz AVGCTTIMJXVLES-INIZCTEOSA-N 0 0 332.379 2.123 40 0 EEABRN CC(C)Nc1ncccc1C(=O)NCC[S@@](=O)c1ccccc1 ZINC000096436469 463264429 /nfs/dbraw/zinc/26/44/29/463264429.db2.gz CUGWFQSZCBQIFI-QHCPKHFHSA-N 0 0 331.441 2.440 40 0 EEABRN CCc1nc(C)ncc1C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000096436425 463265214 /nfs/dbraw/zinc/26/52/14/463265214.db2.gz REBSVRDHBYFVRV-LJQANCHMSA-N 0 0 325.412 2.301 40 0 EEABRN CCc1nsc(N2CCN(C(=O)N[C@H](C)c3ccccn3)CC2)n1 ZINC000096437630 463265896 /nfs/dbraw/zinc/26/58/96/463265896.db2.gz BSVCNHCJXDYBCN-GFCCVEGCSA-N 0 0 346.460 2.088 40 0 EEABRN Cc1cnn(CCC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000096455999 463275169 /nfs/dbraw/zinc/27/51/69/463275169.db2.gz LRVRSCMMEFANHW-OAHLLOKOSA-N 0 0 346.818 2.157 40 0 EEABRN Cc1cc(NCCNC(=O)CC2CCCCCC2)n2ncnc2n1 ZINC000096456291 463275593 /nfs/dbraw/zinc/27/55/93/463275593.db2.gz GTFIRVLZWRGIDQ-UHFFFAOYSA-N 0 0 330.436 2.321 40 0 EEABRN Cc1cc([C@@](C)(O)CNC(=O)c2c(C)nc(C(C)C)[nH]c2=O)c(C)o1 ZINC000096459308 463276859 /nfs/dbraw/zinc/27/68/59/463276859.db2.gz UMTRUKBLCLXLTM-SFHVURJKSA-N 0 0 347.415 2.049 40 0 EEABRN Cc1nc(CNC(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)no1 ZINC000096484969 463283555 /nfs/dbraw/zinc/28/35/55/463283555.db2.gz QLWMLZUNHRJBOZ-LBPRGKRZSA-N 0 0 340.387 2.183 40 0 EEABRN O[C@@H](COc1ccccc1Br)COC1CCOCC1 ZINC000096484780 463284040 /nfs/dbraw/zinc/28/40/40/463284040.db2.gz SQEIAXBCJFJBCU-LLVKDONJSA-N 0 0 331.206 2.384 40 0 EEABRN CC(=O)[C@H](NC(=O)CN1CCN(c2cccc(C)c2C)CC1)C(C)C ZINC000055104799 463284765 /nfs/dbraw/zinc/28/47/65/463284765.db2.gz GSIYJVBTSUUNEM-HXUWFJFHSA-N 0 0 345.487 2.155 40 0 EEABRN CC1(C)C[C@H](NC(=O)NCCCCn2ccccc2=O)C(C)(C)O1 ZINC000096499775 463290166 /nfs/dbraw/zinc/29/01/66/463290166.db2.gz PZYRFHUJBLRDFM-AWEZNQCLSA-N 0 0 335.448 2.274 40 0 EEABRN COc1ccc(C(=O)N(C)c2cc(F)ccc2F)cc1-n1cnnn1 ZINC000096500762 463291201 /nfs/dbraw/zinc/29/12/01/463291201.db2.gz ZZONGLJEEHIKFJ-UHFFFAOYSA-N 0 0 345.309 2.226 40 0 EEABRN COc1ccc(S(=O)(=O)N(C)Cc2nccs2)c(C)c1F ZINC000096501602 463292049 /nfs/dbraw/zinc/29/20/49/463292049.db2.gz SCXSEWJVSJNVQP-UHFFFAOYSA-N 0 0 330.406 2.420 40 0 EEABRN c1nc2ncnc(N3CCc4c(ncn4CCc4ccccc4)C3)c2[nH]1 ZINC000096502009 463292653 /nfs/dbraw/zinc/29/26/53/463292653.db2.gz XIKAJIVDHQAGIF-UHFFFAOYSA-N 0 0 345.410 2.355 40 0 EEABRN CC[C@](Br)([C@H](O)c1ccccc1F)S(C)(=O)=O ZINC000096521536 463294069 /nfs/dbraw/zinc/29/40/69/463294069.db2.gz YWRCFEAOWPJHQX-GHMZBOCLSA-N 0 0 325.199 2.405 40 0 EEABRN CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccccc1F ZINC000096519757 463294383 /nfs/dbraw/zinc/29/43/83/463294383.db2.gz HOUDFNNNMLKYOG-BDAKNGLRSA-N 0 0 331.590 2.191 40 0 EEABRN CNc1nc(N2CCC[C@H](n3cccn3)C2)ncc1Br ZINC000097103059 463324230 /nfs/dbraw/zinc/32/42/30/463324230.db2.gz LDRYRZLVBQWTCY-JTQLQIEISA-N 0 0 337.225 2.319 40 0 EEABRN COc1ccc([C@@H](NC(=O)N2CCC[C@H]2CO)C(F)(F)F)cc1 ZINC000097100240 463324351 /nfs/dbraw/zinc/32/43/51/463324351.db2.gz QFCFQKYRPWCKER-WCQYABFASA-N 0 0 332.322 2.465 40 0 EEABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CCC(=O)N2)c(C(F)(F)F)c1 ZINC000069895528 463346289 /nfs/dbraw/zinc/34/62/89/463346289.db2.gz MNEXWQAOCXLMGD-CYBMUJFWSA-N 0 0 344.333 2.387 40 0 EEABRN C[C@H](O)[C@H]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)C1 ZINC000097372848 463355651 /nfs/dbraw/zinc/35/56/51/463355651.db2.gz CHSLOJIBSWHEOZ-XIRDDKMYSA-N 0 0 342.443 2.116 40 0 EEABRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000071195909 463411414 /nfs/dbraw/zinc/41/14/14/463411414.db2.gz WCJKVLSFMGEHDA-BONVTDFDSA-N 0 0 333.823 2.465 40 0 EEABRN Cc1noc(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)n1 ZINC000161757439 463454817 /nfs/dbraw/zinc/45/48/17/463454817.db2.gz SEHZJHQBROKUGR-HSZRJFAPSA-N 0 0 348.306 2.327 40 0 EEABRN CCn1cc(NC(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)cn1 ZINC000040775015 463464414 /nfs/dbraw/zinc/46/44/14/463464414.db2.gz ZJVCHMUQADNXLT-MRXNPFEDSA-N 0 0 330.413 2.369 40 0 EEABRN CCn1nc(C)cc1C(=O)NCCn1ncc2c1c(C)nn2C(C)C ZINC000057279708 463474705 /nfs/dbraw/zinc/47/47/05/463474705.db2.gz YBTJETRCFZGGAW-UHFFFAOYSA-N 0 0 343.435 2.077 40 0 EEABRN CCn1nc(C)c2c1cnn2CCNC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000057279101 463474740 /nfs/dbraw/zinc/47/47/40/463474740.db2.gz GXGZRTQLTSCFAI-HOTGVXAUSA-N 0 0 337.427 2.481 40 0 EEABRN CCn1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000057355375 463480722 /nfs/dbraw/zinc/48/07/22/463480722.db2.gz GGOMYOFZJUBJQO-PBHICJAKSA-N 0 0 326.400 2.451 40 0 EEABRN COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1OC ZINC000072227094 463483809 /nfs/dbraw/zinc/48/38/09/463483809.db2.gz SOENEXQQPULRFT-IAGOWNOFSA-N 0 0 330.359 2.254 40 0 EEABRN Cc1ccc(N2CCC(C(=O)NC[C@@H](C)Cn3ccnc3)CC2)nc1 ZINC000081798316 463494673 /nfs/dbraw/zinc/49/46/73/463494673.db2.gz AAHCRORPOCONCL-MRXNPFEDSA-N 0 0 341.459 2.255 40 0 EEABRN CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(Cl)c(F)c2)O1 ZINC000107207144 463561245 /nfs/dbraw/zinc/56/12/45/463561245.db2.gz OGVSWZSICYHEEM-KFWWJZLASA-N 0 0 326.799 2.347 40 0 EEABRN Cn1ccnc1CN1CCC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 ZINC000107228390 463562559 /nfs/dbraw/zinc/56/25/59/463562559.db2.gz LJMGIXYBAWQKOI-AEFFLSMTSA-N 0 0 327.432 2.051 40 0 EEABRN COCC(=O)N1CCC2(CCCN(Cc3cccc(F)c3)C2=O)CC1 ZINC000108531498 463609638 /nfs/dbraw/zinc/60/96/38/463609638.db2.gz GBOUYFWPCDSJOO-UHFFFAOYSA-N 0 0 348.418 2.203 40 0 EEABRN NC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]1S(=O)(=O)c1ccccc1 ZINC000043198558 463628142 /nfs/dbraw/zinc/62/81/42/463628142.db2.gz SLAXPQTVSBFEQX-UONOGXRCSA-N 0 0 336.800 2.134 40 0 EEABRN COC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000084777931 463631863 /nfs/dbraw/zinc/63/18/63/463631863.db2.gz IPHDIXNCGSDFFN-DGCLKSJQSA-N 0 0 343.374 2.286 40 0 EEABRN Cc1cc(NC(=O)CNc2c(F)cccc2-n2cccn2)n(C)n1 ZINC000085276850 463643284 /nfs/dbraw/zinc/64/32/84/463643284.db2.gz UFWMLVKXTKNVIJ-UHFFFAOYSA-N 0 0 328.351 2.104 40 0 EEABRN C[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccnc1 ZINC000043787147 463657174 /nfs/dbraw/zinc/65/71/74/463657174.db2.gz FEJFDNIJEOJOKE-CQSZACIVSA-N 0 0 326.400 2.380 40 0 EEABRN COc1ccc(CCNC(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000043929622 463662397 /nfs/dbraw/zinc/66/23/97/463662397.db2.gz QWTJFEIFLMSWOV-UHFFFAOYSA-N 0 0 348.424 2.463 40 0 EEABRN COc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000044325407 463675442 /nfs/dbraw/zinc/67/54/42/463675442.db2.gz ZRCNKDAVERNJGW-UHFFFAOYSA-N 0 0 330.768 2.361 40 0 EEABRN Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000044448675 463679023 /nfs/dbraw/zinc/67/90/23/463679023.db2.gz DYCNJNPXEMWSNJ-MRXNPFEDSA-N 0 0 343.427 2.403 40 0 EEABRN CCN(Cc1cccc(F)c1)C(=O)c1cnc2ccccn2c1=O ZINC000044896336 463699707 /nfs/dbraw/zinc/69/97/07/463699707.db2.gz MDCMPWWTJZIWEA-UHFFFAOYSA-N 0 0 325.343 2.496 40 0 EEABRN COCCn1cc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000282944661 463709412 /nfs/dbraw/zinc/70/94/12/463709412.db2.gz VASVMAMRMAOLAM-LBPRGKRZSA-N 0 0 334.342 2.013 40 0 EEABRN O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177637354 463753105 /nfs/dbraw/zinc/75/31/05/463753105.db2.gz OWRJTFSEQIZXQY-ZDUSSCGKSA-N 0 0 339.399 2.002 40 0 EEABRN CC(C)Oc1ccc([C@H]2CN(C(=O)c3cnccn3)CCN2C)cc1 ZINC000257280274 463760014 /nfs/dbraw/zinc/76/00/14/463760014.db2.gz OKGICFKPDMROEH-GOSISDBHSA-N 0 0 340.427 2.393 40 0 EEABRN CN(C)Cc1c[nH]c([C@H]2CCN(C(=O)CCc3ccccc3)C2)n1 ZINC000257282204 463760344 /nfs/dbraw/zinc/76/03/44/463760344.db2.gz OSVVREDDDUINMA-INIZCTEOSA-N 0 0 326.444 2.420 40 0 EEABRN COc1cc(CCC(=O)N2CCC[C@H](c3nc(C)cn3C)C2)on1 ZINC000257282450 463760393 /nfs/dbraw/zinc/76/03/93/463760393.db2.gz OTUWVYZKLRGQAM-ZDUSSCGKSA-N 0 0 332.404 2.064 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2cccs2)n1 ZINC000257283263 463762089 /nfs/dbraw/zinc/76/20/89/463762089.db2.gz OXMLMAMEGJUONB-MRXNPFEDSA-N 0 0 344.440 2.080 40 0 EEABRN CC(C)n1nccc1-c1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257292957 463765950 /nfs/dbraw/zinc/76/59/50/463765950.db2.gz QNOYQCCNOMKVLJ-CQSZACIVSA-N 0 0 348.472 2.350 40 0 EEABRN CN(C)c1cc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)ccn1 ZINC000257297478 463766852 /nfs/dbraw/zinc/76/68/52/463766852.db2.gz RHKBGVZHNWCNLE-INIZCTEOSA-N 0 0 327.432 2.140 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 ZINC000257318798 463776999 /nfs/dbraw/zinc/77/69/99/463776999.db2.gz VPKQBCWRAVJVBF-QGZVFWFLSA-N 0 0 325.412 2.349 40 0 EEABRN COc1ccc([C@@H]2CN(Cc3ccncc3)CCN2C(C)=O)cc1 ZINC000257327108 463779319 /nfs/dbraw/zinc/77/93/19/463779319.db2.gz WZZDRKMBPCUVFC-IBGZPJMESA-N 0 0 325.412 2.496 40 0 EEABRN CNc1cc([C@H]2CCCN2C(=O)CCCn2cccn2)nc(C)n1 ZINC000257332968 463781148 /nfs/dbraw/zinc/78/11/48/463781148.db2.gz XZMNZDRFOXYOBU-OAHLLOKOSA-N 0 0 328.420 2.167 40 0 EEABRN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000194287101 463828340 /nfs/dbraw/zinc/82/83/40/463828340.db2.gz GLOVKUJOFNVQBJ-CQSZACIVSA-N 0 0 333.413 2.181 40 0 EEABRN Cc1cccc([C@H](O)CNc2cc(N3CCSCC3)ncn2)c1 ZINC000277835914 463933667 /nfs/dbraw/zinc/93/36/67/463933667.db2.gz PXJRCDJWHJVTFD-OAHLLOKOSA-N 0 0 330.457 2.484 40 0 EEABRN CO[C@H](C)CS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000195079667 463987889 /nfs/dbraw/zinc/98/78/89/463987889.db2.gz IGKFLWQQUCKKFP-NXEZZACHSA-N 0 0 336.251 2.464 40 0 EEABRN O=C(CN(c1cccc(CO)c1)C1Cc2ccccc2C1)N1CCC1 ZINC000279207805 464064252 /nfs/dbraw/zinc/06/42/52/464064252.db2.gz BLXOZWJVDAXNJX-UHFFFAOYSA-N 0 0 336.435 2.385 40 0 EEABRN COc1ccc(NC(=O)[C@H]2COCCN2)cc1Cc1ccccc1 ZINC000195543097 464073382 /nfs/dbraw/zinc/07/33/82/464073382.db2.gz AKIGQZGAJLLDNZ-QGZVFWFLSA-N 0 0 326.396 2.213 40 0 EEABRN CO[C@@H](C(=O)N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1 ZINC000195556688 464076489 /nfs/dbraw/zinc/07/64/89/464076489.db2.gz GIOYGLGATWBIDT-IAGOWNOFSA-N 0 0 326.396 2.320 40 0 EEABRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000195563118 464077354 /nfs/dbraw/zinc/07/73/54/464077354.db2.gz RVPHDZDELWQOQM-IEBWSBKVSA-N 0 0 341.455 2.491 40 0 EEABRN O=C(NC1CC1)C1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000195578022 464080483 /nfs/dbraw/zinc/08/04/83/464080483.db2.gz LEDVQSWPRTVLLG-UHFFFAOYSA-N 0 0 341.333 2.231 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 ZINC000222618819 464132258 /nfs/dbraw/zinc/13/22/58/464132258.db2.gz YQQREOXPWDHJPZ-OAHLLOKOSA-N 0 0 338.473 2.328 40 0 EEABRN O=C(Nc1nccs1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223358193 464142480 /nfs/dbraw/zinc/14/24/80/464142480.db2.gz MTNIXLBONZAYNM-LLVKDONJSA-N 0 0 345.380 2.002 40 0 EEABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000225038514 464153288 /nfs/dbraw/zinc/15/32/88/464153288.db2.gz BTQSERRDSQCVBZ-OPYOOOJUSA-N 0 0 335.337 2.013 40 0 EEABRN CCN1CCN(S(=O)(=O)c2ccc3cc(OC)ccc3c2)CC1 ZINC000225508905 464167566 /nfs/dbraw/zinc/16/75/66/464167566.db2.gz UAOVYSKGNXWTCH-UHFFFAOYSA-N 0 0 334.441 2.175 40 0 EEABRN O=C(Nc1ccnn1Cc1cccs1)N[C@H]1CCc2n[nH]cc2C1 ZINC000225511379 464167872 /nfs/dbraw/zinc/16/78/72/464167872.db2.gz AJUREKHFLQVFTL-LBPRGKRZSA-N 0 0 342.428 2.395 40 0 EEABRN Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCOCC2)c1 ZINC000226252922 464183576 /nfs/dbraw/zinc/18/35/76/464183576.db2.gz NDVKIDSSCZSRJX-UHFFFAOYSA-N 0 0 341.411 2.431 40 0 EEABRN COC(=O)CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180480835 464319293 /nfs/dbraw/zinc/31/92/93/464319293.db2.gz XREZCLSAQGLIGL-QMMMGPOBSA-N 0 0 330.178 2.044 40 0 EEABRN C[C@@H]1CCSCCN1C(=O)NCCn1c2ccccc2oc1=O ZINC000188695853 464345943 /nfs/dbraw/zinc/34/59/43/464345943.db2.gz XRJXCJHMFCCROJ-GFCCVEGCSA-N 0 0 335.429 2.132 40 0 EEABRN c1nnc2c(N3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)nccn12 ZINC000240465802 464447044 /nfs/dbraw/zinc/44/70/44/464447044.db2.gz GAIBYBSIEZXLFE-AWEZNQCLSA-N 0 0 346.398 2.293 40 0 EEABRN COC(=O)[C@]12CN(C(=O)c3cnc4ccccc4n3)C[C@H]1CCCC2 ZINC000241653331 464454167 /nfs/dbraw/zinc/45/41/67/464454167.db2.gz PUGHWSQMHLLKGX-BFUOFWGJSA-N 0 0 339.395 2.435 40 0 EEABRN COC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242701883 464458587 /nfs/dbraw/zinc/45/85/87/464458587.db2.gz WPOTWRTXDKCUDH-BBWFWOEESA-N 0 0 335.400 2.109 40 0 EEABRN Cc1n[nH]cc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000265392365 464541850 /nfs/dbraw/zinc/54/18/50/464541850.db2.gz DFIPWAPKQXZFFX-SECBINFHSA-N 0 0 344.198 2.195 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)c(C)o1 ZINC000247847196 464709383 /nfs/dbraw/zinc/70/93/83/464709383.db2.gz SOPWLCXZLSHENM-AWEZNQCLSA-N 0 0 343.383 2.139 40 0 EEABRN CCNc1ccc(Cl)cc1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000191059979 464770747 /nfs/dbraw/zinc/77/07/47/464770747.db2.gz KLQXPIPDZKJTMO-UHFFFAOYSA-N 0 0 344.864 2.326 40 0 EEABRN Cc1noc(CCCNC(=O)c2cccnc2O[C@@H]2CCSC2)n1 ZINC000252492545 464967869 /nfs/dbraw/zinc/96/78/69/464967869.db2.gz MOXVNKJQYZFAIC-GFCCVEGCSA-N 0 0 348.428 2.020 40 0 EEABRN Cc1cc(C)cc([C@@H](O)CNC(=O)NCC[S@](=O)C(C)(C)C)c1 ZINC000252492089 464968013 /nfs/dbraw/zinc/96/80/13/464968013.db2.gz MBXLVFMXFJBYRY-WNSKOXEYSA-N 0 0 340.489 2.183 40 0 EEABRN COC(=O)[C@H](F)CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000252494986 464968467 /nfs/dbraw/zinc/96/84/67/464968467.db2.gz OJXMMMYTHVLSSS-CHWSQXEVSA-N 0 0 333.306 2.172 40 0 EEABRN C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCF ZINC000252496426 464969592 /nfs/dbraw/zinc/96/95/92/464969592.db2.gz PHVMEHIRUNHFAT-ZJUUUORDSA-N 0 0 344.456 2.275 40 0 EEABRN CC(C)[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccc(F)cc1F ZINC000252508156 464974910 /nfs/dbraw/zinc/97/49/10/464974910.db2.gz XERYYPOIPKEHAI-YGRLFVJLSA-N 0 0 345.365 2.435 40 0 EEABRN COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000252516219 464978303 /nfs/dbraw/zinc/97/83/03/464978303.db2.gz QOLBHTYYYIAOBA-KZNAEPCWSA-N 0 0 349.427 2.357 40 0 EEABRN CN(C)c1noc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792588 464999371 /nfs/dbraw/zinc/99/93/71/464999371.db2.gz KZVZOROMSRFIJR-SNVBAGLBSA-N 0 0 344.341 2.188 40 0 EEABRN COc1ccccc1N1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253420038 465006902 /nfs/dbraw/zinc/00/69/02/465006902.db2.gz CGQYQFBFTSEMAM-HNNXBMFYSA-N 0 0 329.400 2.091 40 0 EEABRN COC(=O)c1cc(C)nc(N2Cc3ccccc3N(C)C[C@@H]2C)n1 ZINC000253430960 465013655 /nfs/dbraw/zinc/01/36/55/465013655.db2.gz YTEHTMDAUKBTLV-ZDUSSCGKSA-N 0 0 326.400 2.417 40 0 EEABRN Cc1cc([C@H]2CCCN2C(=O)CC(N)=O)ccc1Br ZINC000253433639 465015385 /nfs/dbraw/zinc/01/53/85/465015385.db2.gz ZPAHBAOFQJQSSI-GFCCVEGCSA-N 0 0 325.206 2.296 40 0 EEABRN O=C1c2ccccc2C(=O)N1CN1C(=O)COc2ccc(Cl)cc21 ZINC000408599787 466681728 /nfs/dbraw/zinc/68/17/28/466681728.db2.gz KSHLGEUVRNOKDZ-UHFFFAOYSA-N 0 0 342.738 2.319 40 0 EEABRN O=C(c1cc2c([nH]1)CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000390834036 467414508 /nfs/dbraw/zinc/41/45/08/467414508.db2.gz QPDGGDJOGZBWDP-UHFFFAOYSA-N 0 0 340.383 2.374 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000408096855 467508741 /nfs/dbraw/zinc/50/87/41/467508741.db2.gz GMRFLOXXAKOZQN-LBPRGKRZSA-N 0 0 337.401 2.417 40 0 EEABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)n1 ZINC000575405065 468141979 /nfs/dbraw/zinc/14/19/79/468141979.db2.gz RFNSESZKFZJVDO-ZBFHGGJFSA-N 0 0 348.468 2.030 40 0 EEABRN COC[C@H]1CCN(C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000575406143 468142822 /nfs/dbraw/zinc/14/28/22/468142822.db2.gz WRDQQMKDBCIRJE-ZDUSSCGKSA-N 0 0 334.485 2.420 40 0 EEABRN O=C(Cc1ccccc1Cl)NCc1nc(C2CCOCC2)no1 ZINC000575608990 468147988 /nfs/dbraw/zinc/14/79/88/468147988.db2.gz XDQNVNNWAFUSMP-UHFFFAOYSA-N 0 0 335.791 2.476 40 0 EEABRN CCCCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C ZINC000585096652 468964754 /nfs/dbraw/zinc/96/47/54/468964754.db2.gz YHDUGOVQVPVRGC-CYBMUJFWSA-N 0 0 344.415 2.500 40 0 EEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@H](COc3ncccn3)C2)c1 ZINC000585095124 468964755 /nfs/dbraw/zinc/96/47/55/468964755.db2.gz AHMJSVSKDSFHJW-KRWDZBQOSA-N 0 0 349.394 2.258 40 0 EEABRN COCCc1cnc2n1CCN(C(=O)COc1ccccc1C)[C@@H]2C ZINC000585097527 468965777 /nfs/dbraw/zinc/96/57/77/468965777.db2.gz LAPXFJISBJIDEK-OAHLLOKOSA-N 0 0 343.427 2.363 40 0 EEABRN CC(C)OC(=O)NC[C@@H]1CCC2(CCN(c3ccncn3)CC2)CO1 ZINC000585101076 468969244 /nfs/dbraw/zinc/96/92/44/468969244.db2.gz BPWFCSSFEIEMIV-HNNXBMFYSA-N 0 0 348.447 2.377 40 0 EEABRN O=C(C1CC(F)C1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000585100927 468969341 /nfs/dbraw/zinc/96/93/41/468969341.db2.gz GXSOMGSLQGGCOO-RJYAGPCLSA-N 0 0 345.418 2.171 40 0 EEABRN COCCNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccsc1)C2 ZINC000585103033 468970629 /nfs/dbraw/zinc/97/06/29/468970629.db2.gz OKZBGFQBKBWDGL-RHSMWYFYSA-N 0 0 336.457 2.143 40 0 EEABRN CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C3CC(F)C3)C2)C1=O ZINC000585106823 468971868 /nfs/dbraw/zinc/97/18/68/468971868.db2.gz IXNAEVNWHVENNA-FCJNSDPXSA-N 0 0 330.403 2.209 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1ccco1)C2 ZINC000585110812 468973626 /nfs/dbraw/zinc/97/36/26/468973626.db2.gz KAUSRNWXXOIJJL-HNNXBMFYSA-N 0 0 328.416 2.029 40 0 EEABRN O=C(Cc1c(F)cccc1Cl)N1CCN(c2cnsn2)CC1 ZINC000585149012 468993120 /nfs/dbraw/zinc/99/31/20/468993120.db2.gz WQULQJSKFALJLR-UHFFFAOYSA-N 0 0 340.811 2.222 40 0 EEABRN CO[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@H]1CC(N)=O ZINC000585276862 469001646 /nfs/dbraw/zinc/00/16/46/469001646.db2.gz SBXCOUXKBMLIRB-UKRRQHHQSA-N 0 0 338.835 2.012 40 0 EEABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)C2CCOCC2)C1 ZINC000585279288 469004882 /nfs/dbraw/zinc/00/48/82/469004882.db2.gz YXXFJKFCONTCLC-LJQANCHMSA-N 0 0 333.428 2.418 40 0 EEABRN CO[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)[C@H]1CCC(N)=O ZINC000585279607 469006135 /nfs/dbraw/zinc/00/61/35/469006135.db2.gz WAPYVDVXBZIIBY-HOTGVXAUSA-N 0 0 348.418 2.129 40 0 EEABRN O=C(Cc1ccccn1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585284200 469007523 /nfs/dbraw/zinc/00/75/23/469007523.db2.gz GBBFSIRHOFVTOD-OMWUSAIZSA-N 0 0 344.386 2.098 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]cn3)C[C@@H]2O)c1 ZINC000585288675 469009558 /nfs/dbraw/zinc/00/95/58/469009558.db2.gz HGYQXESICINHRD-BHMLKFMNSA-N 0 0 325.412 2.183 40 0 EEABRN O=C(COCc1ccccc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000390826179 485667778 /nfs/dbraw/zinc/66/77/78/485667778.db2.gz DUGRLKFPDQFHSG-INIZCTEOSA-N 0 0 326.400 2.146 40 0 EEABRN COc1ccccc1N1CC[C@@H](CNC(=O)c2ccncc2F)C1 ZINC000132449198 534137893 /nfs/dbraw/zinc/13/78/93/534137893.db2.gz NDFIKKZFBKLKSK-ZDUSSCGKSA-N 0 0 329.375 2.486 40 0 EEABRN Cc1ccn2c(c1)nc(O)c(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000164577045 534347223 /nfs/dbraw/zinc/34/72/23/534347223.db2.gz KJGHMDADGLGKQL-UHFFFAOYSA-N 0 0 343.770 2.292 40 0 EEABRN NC(=O)c1ccc(CN2CCOC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000154426313 534482110 /nfs/dbraw/zinc/48/21/10/534482110.db2.gz PRJNTCMQGUIECH-HNNXBMFYSA-N 0 0 344.436 2.321 40 0 EEABRN COC(=O)c1cc(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)no1 ZINC000390834185 521809817 /nfs/dbraw/zinc/80/98/17/521809817.db2.gz UDYOUVLLUPKEFL-GFCCVEGCSA-N 0 0 344.367 2.320 40 0 EEABRN CSC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000076921229 525616978 /nfs/dbraw/zinc/61/69/78/525616978.db2.gz SASZHXOBGRAAQB-SNVBAGLBSA-N 0 0 342.486 2.373 40 0 EEABRN CCOC(=O)[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1cccc(C)c1C ZINC000184082096 527802754 /nfs/dbraw/zinc/80/27/54/527802754.db2.gz DFHBQKCHCFVLFB-INIZCTEOSA-N 0 0 328.368 2.026 40 0 EEABRN CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000171319857 528669197 /nfs/dbraw/zinc/66/91/97/528669197.db2.gz ULZFNRBQCQCZLQ-CQSZACIVSA-N 0 0 329.404 2.407 40 0 EEABRN CC(C)NC(=O)CCNC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079043531 529124368 /nfs/dbraw/zinc/12/43/68/529124368.db2.gz PVCMUIZBYIRIHR-JTQLQIEISA-N 0 0 330.787 2.277 40 0 EEABRN CNc1ncc(CN2CCC[C@@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200573 536423961 /nfs/dbraw/zinc/42/39/61/536423961.db2.gz ADVUBCYMWGHWHG-SFHVURJKSA-N 0 0 341.463 2.194 40 0 EEABRN CC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1 ZINC000930992152 1206597987 /nfs/dbraw/zinc/59/79/87/1206597987.db2.gz XGXGIICWCMYWOQ-UHFFFAOYSA-N 0 0 332.360 2.251 40 0 EEABRN CN(Cc1nnc2ccccn21)C(=O)[C@]1(c2ccccc2)CCCO1 ZINC000931296227 1206623026 /nfs/dbraw/zinc/62/30/26/1206623026.db2.gz ZPKVEOJAEIRLPC-LJQANCHMSA-N 0 0 336.395 2.394 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cc(C(F)F)ncn1 ZINC000932854852 1207690588 /nfs/dbraw/zinc/69/05/88/1207690588.db2.gz LKNVUHLINZSVPT-LBPRGKRZSA-N 0 0 346.337 2.340 40 0 EEABRN Cc1ccc(-n2nnnc2NCCOc2ccc3c(c2)OCO3)cc1 ZINC000054060160 214214145 /nfs/dbraw/zinc/21/41/45/214214145.db2.gz KGSXANDIVKUTNR-UHFFFAOYSA-N 0 0 339.355 2.190 40 0 EEABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)NCCc1ccccc1)C2=O ZINC000054645236 214247692 /nfs/dbraw/zinc/24/76/92/214247692.db2.gz BEDGHCGABCMTGG-MGPUTAFESA-N 0 0 342.439 2.157 40 0 EEABRN C[C@@H]1NC(=S)N(c2cccc(COC[C@@H]3CCCCO3)c2)C1=O ZINC000055179700 214284095 /nfs/dbraw/zinc/28/40/95/214284095.db2.gz GBWVCWQIZBTQME-WFASDCNBSA-N 0 0 334.441 2.382 40 0 EEABRN CCOC(=O)c1csc(NC(=O)Cn2ccc(C(F)(F)F)n2)n1 ZINC000049961183 214038873 /nfs/dbraw/zinc/03/88/73/214038873.db2.gz RIMABUAPRMCNEK-UHFFFAOYSA-N 0 0 348.306 2.174 40 0 EEABRN Cc1noc(C2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000049482240 214011660 /nfs/dbraw/zinc/01/16/60/214011660.db2.gz ZUWAGSNHNLKUEK-UHFFFAOYSA-N 0 0 347.318 2.185 40 0 EEABRN COc1ccccc1N(CN1C(=O)[C@@H]2C[C@H](C)CC[C@@H]2C1=O)C(C)=O ZINC000100575523 219102057 /nfs/dbraw/zinc/10/20/57/219102057.db2.gz JQHJFAKRHKWFEY-VHDGCEQUSA-N 0 0 344.411 2.427 40 0 EEABRN CCCCOC(=O)OCCNC(=O)[C@H](C)OC(=O)OCCCC ZINC000004428334 210192125 /nfs/dbraw/zinc/19/21/25/210192125.db2.gz JYACJFZAMMVKOF-LBPRGKRZSA-N 0 0 333.381 2.398 40 0 EEABRN COc1cccc(C[S@@](=O)CC(=O)NCc2ccccc2OC)c1 ZINC000064810080 214804693 /nfs/dbraw/zinc/80/46/93/214804693.db2.gz BIQJCHSZRKPQRR-DEOSSOPVSA-N 0 0 347.436 2.269 40 0 EEABRN CCOc1ccc2c(c1)s/c(=N\C(=O)c1cc(C)n(C)n1)n2C ZINC000101025431 219114695 /nfs/dbraw/zinc/11/46/95/219114695.db2.gz PIPGHCYEWMIUGP-MSUUIHNZSA-N 0 0 330.413 2.422 40 0 EEABRN C[C@H]1CCC[C@H](C)C12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O ZINC000043646043 213591415 /nfs/dbraw/zinc/59/14/15/213591415.db2.gz SUJKIRIBNZEYFA-KKUMJFAQSA-N 0 0 346.427 2.173 40 0 EEABRN O=C(NCc1cccnc1)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000067317073 215132295 /nfs/dbraw/zinc/13/22/95/215132295.db2.gz WYGIHPIQWPMYCG-UHFFFAOYSA-N 0 0 341.339 2.400 40 0 EEABRN Nc1nnc(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000003015287 209953935 /nfs/dbraw/zinc/95/39/35/209953935.db2.gz JQIFLHHOVYZLPD-UHFFFAOYSA-N 0 0 338.241 2.444 40 0 EEABRN O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)N1CCCCC1 ZINC000205854709 539656718 /nfs/dbraw/zinc/65/67/18/539656718.db2.gz PJOUYCLBLPWEFL-JLHYYAGUSA-N 0 0 331.397 2.130 40 0 EEABRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@H]2CC=CCC2)C1=O ZINC000068740885 215330574 /nfs/dbraw/zinc/33/05/74/215330574.db2.gz RPHMSYUERXCXIQ-IFXJQAMLSA-N 0 0 342.395 2.353 40 0 EEABRN Cc1c(Br)c(Br)nn1[C@@H](C)C(=O)N(C)C ZINC000002041444 209815001 /nfs/dbraw/zinc/81/50/01/209815001.db2.gz PSLNJFQFEOIBTB-LURJTMIESA-N 0 0 339.031 2.366 40 0 EEABRN COc1cccc(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 ZINC000038679279 213221012 /nfs/dbraw/zinc/22/10/12/213221012.db2.gz VRIRJTJHJMRXLC-UHFFFAOYSA-N 0 0 343.427 2.187 40 0 EEABRN CCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc43)c2C)n1 ZINC000038670878 213219197 /nfs/dbraw/zinc/21/91/97/213219197.db2.gz ZUGUDZFMNBJERP-UHFFFAOYSA-N 0 0 349.394 2.442 40 0 EEABRN Cc1c(C(=O)N(C)C2CCS(=O)CC2)cnn1Cc1ccccc1 ZINC000096446823 237057681 /nfs/dbraw/zinc/05/76/81/237057681.db2.gz LMNGEAHQMIXXIL-UHFFFAOYSA-N 0 0 345.468 2.223 40 0 EEABRN Cc1noc([C@H]2CCCN(C(=O)c3nc4cccnc4s3)C2)n1 ZINC000193895647 240351237 /nfs/dbraw/zinc/35/12/37/240351237.db2.gz SYVVRONLIZKBGV-JTQLQIEISA-N 0 0 329.385 2.403 40 0 EEABRN Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1 ZINC000072239577 216078961 /nfs/dbraw/zinc/07/89/61/216078961.db2.gz XTTBTXRFVRMUER-KRWDZBQOSA-N 0 0 326.396 2.438 40 0 EEABRN Cc1nn(C)c(C)c1CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000072265160 216087672 /nfs/dbraw/zinc/08/76/72/216087672.db2.gz WXDGAXXBTSBITB-UHFFFAOYSA-N 0 0 327.428 2.402 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)N3CCOCC3)C2)on1 ZINC000072334753 216155939 /nfs/dbraw/zinc/15/59/39/216155939.db2.gz HQTRCGYDUZOESD-ZDUSSCGKSA-N 0 0 345.403 2.005 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](Cc2cncc(Cc3ccccc3)n2)C1 ZINC000072360614 216167383 /nfs/dbraw/zinc/16/73/83/216167383.db2.gz CMRFQAHTFOBXNX-MRXNPFEDSA-N 0 0 345.468 2.282 40 0 EEABRN Cc1nc2cc(C3CCOCC3)nn2c(NC[C@@H]2COCCO2)c1C ZINC000072337422 216156985 /nfs/dbraw/zinc/15/69/85/216156985.db2.gz AGTGDNTUZFXGRX-OAHLLOKOSA-N 0 0 346.431 2.067 40 0 EEABRN COc1ccccc1CN1CCC[C@@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351374 216161976 /nfs/dbraw/zinc/16/19/76/216161976.db2.gz AHOCSERJZYVJMQ-OAHLLOKOSA-N 0 0 328.416 2.457 40 0 EEABRN Cc1cccc(Nc2nccnc2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000072362002 216168867 /nfs/dbraw/zinc/16/88/67/216168867.db2.gz KDMDCKKLAQMSRE-UHFFFAOYSA-N 0 0 347.444 2.063 40 0 EEABRN c1cnc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)nc1 ZINC000072368929 216175697 /nfs/dbraw/zinc/17/56/97/216175697.db2.gz ARAWHWBZLDTJAX-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN CC(=O)N1CCN(c2ccnc(C)n2)C[C@@H](COc2ccccc2)C1 ZINC000072376713 216178943 /nfs/dbraw/zinc/17/89/43/216178943.db2.gz GDUPEEUVHBJBTD-KRWDZBQOSA-N 0 0 340.427 2.149 40 0 EEABRN COC(=O)c1cccc(NC(=O)NC(=O)c2cccnc2Cl)c1 ZINC000000159728 209457621 /nfs/dbraw/zinc/45/76/21/209457621.db2.gz ROZAILARRJHLSC-UHFFFAOYSA-N 0 0 333.731 2.484 40 0 EEABRN O=C(CNc1cccc(Cl)c1Br)N1CCOCC1 ZINC000190091704 238208646 /nfs/dbraw/zinc/20/86/46/238208646.db2.gz AONARSRWZUUJKS-UHFFFAOYSA-N 0 0 333.613 2.373 40 0 EEABRN CCS(=O)(=O)CCN(C)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666714 216290646 /nfs/dbraw/zinc/29/06/46/216290646.db2.gz OPCBZXIRZDEATE-UHFFFAOYSA-N 0 0 328.453 2.161 40 0 EEABRN COCCN1CCCC2(CCN(C(=O)c3ccoc3C)CC2)C1=O ZINC000108527839 219899184 /nfs/dbraw/zinc/89/91/84/219899184.db2.gz PAMPYJCMBFCSNB-UHFFFAOYSA-N 0 0 334.416 2.079 40 0 EEABRN Cc1ccc(-c2nc(CNC(=O)COC[C@H]3CCCO3)co2)cc1 ZINC000073301111 216375869 /nfs/dbraw/zinc/37/58/69/216375869.db2.gz OUTFDILNEJQYAD-MRXNPFEDSA-N 0 0 330.384 2.462 40 0 EEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000022536594 212305987 /nfs/dbraw/zinc/30/59/87/212305987.db2.gz FOMPJXDFLLHYGY-GXTWGEPZSA-N 0 0 342.436 2.065 40 0 EEABRN Cc1nccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000193470977 240179779 /nfs/dbraw/zinc/17/97/79/240179779.db2.gz PPTXPPLFENNCAS-AWEZNQCLSA-N 0 0 344.440 2.158 40 0 EEABRN CNC(=O)c1ccccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193574627 240217309 /nfs/dbraw/zinc/21/73/09/240217309.db2.gz NHEJHXNVPZMBEQ-LLVKDONJSA-N 0 0 344.333 2.226 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000193716882 240280660 /nfs/dbraw/zinc/28/06/60/240280660.db2.gz YXWUNFKEVZEIFY-KRWDZBQOSA-N 0 0 334.391 2.041 40 0 EEABRN Cc1ccc(O[C@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)nn1 ZINC000225420914 241854330 /nfs/dbraw/zinc/85/43/30/241854330.db2.gz PGNLDYDDNKXIPW-INIZCTEOSA-N 0 0 336.395 2.420 40 0 EEABRN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1 ZINC000225457449 241873128 /nfs/dbraw/zinc/87/31/28/241873128.db2.gz SWWBXGVETPIMDW-CRAIPNDOSA-N 0 0 339.395 2.160 40 0 EEABRN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC1CCC(O)CC1 ZINC000226851406 242117315 /nfs/dbraw/zinc/11/73/15/242117315.db2.gz AUJLKRIMXJKMIZ-HPUBIQBYSA-N 0 0 343.427 2.368 40 0 EEABRN O=C(NC(=S)Nc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000021596182 212233040 /nfs/dbraw/zinc/23/30/40/212233040.db2.gz KUHBQZDZGRQHRW-UHFFFAOYSA-N 0 0 330.365 2.290 40 0 EEABRN CC(=O)N1CC2(CCCC2)c2cc(C(=O)N3CCC(O)CC3)ccc21 ZINC000247965111 243493773 /nfs/dbraw/zinc/49/37/73/243493773.db2.gz WZKUZPSSJFPZNR-UHFFFAOYSA-N 0 0 342.439 2.462 40 0 EEABRN COc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1F ZINC000257206048 244134351 /nfs/dbraw/zinc/13/43/51/244134351.db2.gz BBPRALHRNDFKNN-NVXWUHKLSA-N 0 0 349.333 2.238 40 0 EEABRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000076948631 216826221 /nfs/dbraw/zinc/82/62/21/216826221.db2.gz YMSCYNJRGLOUGU-HIMNYSJASA-N 0 0 344.864 2.270 40 0 EEABRN CC(=O)NCCCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000076943790 216826575 /nfs/dbraw/zinc/82/65/75/216826575.db2.gz JGVCXTMWONVSCE-GFCCVEGCSA-N 0 0 325.840 2.439 40 0 EEABRN CNC(=O)CN1CCC[C@H]1c1ccnc(Nc2cccc(C)n2)c1 ZINC000257225235 244197070 /nfs/dbraw/zinc/19/70/70/244197070.db2.gz FFJXGGYFBWNUKI-HNNXBMFYSA-N 0 0 325.416 2.412 40 0 EEABRN CN(C(=O)CC1CCOCC1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257225664 244197737 /nfs/dbraw/zinc/19/77/37/244197737.db2.gz FHFXAWDCFUBOFS-ZHALLVOQSA-N 0 0 348.443 2.018 40 0 EEABRN Cc1c[nH]c([C@@H]2COCCN2C(=O)CCOc2ccccc2F)n1 ZINC000257225480 244199885 /nfs/dbraw/zinc/19/98/85/244199885.db2.gz FGJGUMAEYXRSGT-AWEZNQCLSA-N 0 0 333.363 2.226 40 0 EEABRN Cc1cc(C2CCN(C(=O)Cc3cccnc3)CC2)nc2ccnn21 ZINC000257231133 244214896 /nfs/dbraw/zinc/21/48/96/244214896.db2.gz GFKDBTATHXDRBW-UHFFFAOYSA-N 0 0 335.411 2.381 40 0 EEABRN Cc1cccc(Nc2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)n1 ZINC000257246659 244258181 /nfs/dbraw/zinc/25/81/81/244258181.db2.gz IVDJFOOTJUITAT-CQSZACIVSA-N 0 0 325.416 2.193 40 0 EEABRN COc1cccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243670 244249954 /nfs/dbraw/zinc/24/99/54/244249954.db2.gz IIAHMFBLBODIRN-IBGZPJMESA-N 0 0 340.427 2.065 40 0 EEABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCC3)CCN2C)c1 ZINC000257235051 244227101 /nfs/dbraw/zinc/22/71/01/244227101.db2.gz GWFCTUXICZIDNE-KRWDZBQOSA-N 0 0 329.444 2.052 40 0 EEABRN Cc1csc(C(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257239308 244239043 /nfs/dbraw/zinc/23/90/43/244239043.db2.gz HOSTZIJKZVIUPU-CYBMUJFWSA-N 0 0 333.413 2.026 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1C ZINC000257241175 244245251 /nfs/dbraw/zinc/24/52/51/244245251.db2.gz HWXQOCMZTYRYMF-KRWDZBQOSA-N 0 0 342.443 2.024 40 0 EEABRN O=C(c1cc2cc(F)ccc2[nH]1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257255784 244282234 /nfs/dbraw/zinc/28/22/34/244282234.db2.gz KIVNORCTHUWZRY-MRXNPFEDSA-N 0 0 326.331 2.311 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)CCOc3ccccc3F)CCO2)n1 ZINC000257256560 244283226 /nfs/dbraw/zinc/28/32/26/244283226.db2.gz KLZUDMZTHRPZRT-OAHLLOKOSA-N 0 0 333.363 2.226 40 0 EEABRN Cc1ocnc1C(=O)N1CCOC[C@@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257257527 244288588 /nfs/dbraw/zinc/28/85/88/244288588.db2.gz KQAMHXAKJFLURQ-AWEZNQCLSA-N 0 0 340.383 2.191 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc(C)n1 ZINC000257260923 244347113 /nfs/dbraw/zinc/34/71/13/244347113.db2.gz LFBRMKFIOMMTKE-QGZVFWFLSA-N 0 0 329.375 2.375 40 0 EEABRN CCCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930700 212085879 /nfs/dbraw/zinc/08/58/79/212085879.db2.gz GIZFFHNLNWOIKN-UHFFFAOYSA-N 0 0 338.473 2.366 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)c3cc(C)nc4onc(C)c43)CCO2)n1 ZINC000257300770 244464475 /nfs/dbraw/zinc/46/44/75/244464475.db2.gz RVPPCTKJWXUHLZ-CYBMUJFWSA-N 0 0 341.371 2.085 40 0 EEABRN Cc1nc([C@H]2COCCN2C(=O)CCc2ccccc2)cc(=O)[nH]1 ZINC000257307025 244477464 /nfs/dbraw/zinc/47/74/64/244477464.db2.gz SWXRPUOSHYCEGV-MRXNPFEDSA-N 0 0 327.384 2.023 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(C(C)C)cc(=O)[nH]1 ZINC000019580382 212047161 /nfs/dbraw/zinc/04/71/61/212047161.db2.gz RAXVDPWTEJMBOU-OAHLLOKOSA-N 0 0 344.415 2.404 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 ZINC000019579813 212046836 /nfs/dbraw/zinc/04/68/36/212046836.db2.gz DUHRAZZGZOKXDB-LBPRGKRZSA-N 0 0 338.367 2.158 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000019570163 212044211 /nfs/dbraw/zinc/04/42/11/212044211.db2.gz GZTQINPGNNMXKN-AWEZNQCLSA-N 0 0 329.400 2.237 40 0 EEABRN CC(=O)N1c2ccc(NC(=O)CN3C[C@@H](C)O[C@@H](C)C3)cc2C[C@@H]1C ZINC000019497811 212032457 /nfs/dbraw/zinc/03/24/57/212032457.db2.gz QFXZIDXLEFXTGB-MELADBBJSA-N 0 0 345.443 2.032 40 0 EEABRN O=C(NCC1CCSCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000078114395 217023598 /nfs/dbraw/zinc/02/35/98/217023598.db2.gz QMVNTMXRKGRXBR-KRWDZBQOSA-N 0 0 334.485 2.147 40 0 EEABRN O=C(N[C@H](COc1ccccc1)c1ccccc1)[C@H]1CCC(=O)NC1 ZINC000078659408 217097153 /nfs/dbraw/zinc/09/71/53/217097153.db2.gz QWFIJAWFCZIRCN-FUHWJXTLSA-N 0 0 338.407 2.449 40 0 EEABRN CS(=O)(=O)N1CCC[C@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000078774578 217118547 /nfs/dbraw/zinc/11/85/47/217118547.db2.gz CTVJWGWWYXGCRF-HNNXBMFYSA-N 0 0 349.456 2.384 40 0 EEABRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1C(N)=O ZINC000078768677 217115590 /nfs/dbraw/zinc/11/55/90/217115590.db2.gz VINPHPRCARRORM-CQSZACIVSA-N 0 0 348.399 2.228 40 0 EEABRN COc1cc2nc(NCCCc3cnn(C)c3)nc(N)c2cc1OC ZINC000078880571 217137668 /nfs/dbraw/zinc/13/76/68/217137668.db2.gz DOSKIBDRDXEBLG-UHFFFAOYSA-N 0 0 342.403 2.007 40 0 EEABRN Cc1cc(OCC(=O)NC2CCN(C(N)=O)CC2)ccc1C(C)C ZINC000079001104 217171077 /nfs/dbraw/zinc/17/10/77/217171077.db2.gz WCBWYWNKLYYTIK-UHFFFAOYSA-N 0 0 333.432 2.157 40 0 EEABRN Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)CC2 ZINC000079309505 217206353 /nfs/dbraw/zinc/20/63/53/217206353.db2.gz RVHOTWGSYNAZIN-LPHOPBHVSA-N 0 0 335.407 2.499 40 0 EEABRN COC(=O)NCC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000079338296 217211024 /nfs/dbraw/zinc/21/10/24/217211024.db2.gz BWTGDPZYOQYDHM-UHFFFAOYSA-N 0 0 343.221 2.199 40 0 EEABRN C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080026217 217273019 /nfs/dbraw/zinc/27/30/19/217273019.db2.gz PHKFWPBTRXHTGH-SNVBAGLBSA-N 0 0 346.258 2.065 40 0 EEABRN CN(C)c1ncc(CNC(=O)[C@@H]2SCCc3ccccc32)n1C ZINC000080243965 217291719 /nfs/dbraw/zinc/29/17/19/217291719.db2.gz DXDXZOSRHHEOCP-OAHLLOKOSA-N 0 0 330.457 2.133 40 0 EEABRN Cc1nnc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)[nH]1 ZINC000080630951 217320761 /nfs/dbraw/zinc/32/07/61/217320761.db2.gz KJTLLTWKBOICQR-LBPRGKRZSA-N 0 0 328.825 2.442 40 0 EEABRN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@](C)(O)c1ccsc1 ZINC000080892368 217338683 /nfs/dbraw/zinc/33/86/83/217338683.db2.gz UBRTVQKVUYNUJD-RGDDUWESSA-N 0 0 339.848 2.481 40 0 EEABRN CC[C@H]1CCCCN1C(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O ZINC000012182676 211311950 /nfs/dbraw/zinc/31/19/50/211311950.db2.gz QJAGQLIAVYPXAJ-ZDUSSCGKSA-N 0 0 344.415 2.185 40 0 EEABRN Cc1ccn(CCNC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)n1 ZINC000012199091 211319483 /nfs/dbraw/zinc/31/94/83/211319483.db2.gz AENQOKPETVBPFH-HNNXBMFYSA-N 0 0 332.791 2.154 40 0 EEABRN Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 ZINC000012118783 211297395 /nfs/dbraw/zinc/29/73/95/211297395.db2.gz BPJAPFJDZHYLSN-JSGCOSHPSA-N 0 0 330.388 2.258 40 0 EEABRN Cc1cc2c(cc3c(=O)n(CC(=O)NC4CCCCC4)nc(C)n23)o1 ZINC000012115489 211294788 /nfs/dbraw/zinc/29/47/88/211294788.db2.gz ZGKHLOIQCMBNCP-UHFFFAOYSA-N 0 0 342.399 2.308 40 0 EEABRN CC1(C)C(=O)NCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000093084993 218191421 /nfs/dbraw/zinc/19/14/21/218191421.db2.gz DJFJCZFGKHWMSN-UHFFFAOYSA-N 0 0 325.412 2.371 40 0 EEABRN CC(C)[C@H](NC(=O)N1CCN(C2CC2)CC1)c1nc(C2CC2)no1 ZINC000095351224 218285865 /nfs/dbraw/zinc/28/58/65/218285865.db2.gz NCEKIERWFSNQGV-AWEZNQCLSA-N 0 0 333.436 2.134 40 0 EEABRN CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC000095389931 218321603 /nfs/dbraw/zinc/32/16/03/218321603.db2.gz OBWIBJNWPVXZGI-CQSZACIVSA-N 0 0 344.459 2.009 40 0 EEABRN CCCn1c2nnc(S[C@@H](C)C(=O)OC)n2c2ccccc2c1=O ZINC000008747291 210997618 /nfs/dbraw/zinc/99/76/18/210997618.db2.gz HXQRAOPAPNUDDU-JTQLQIEISA-N 0 0 346.412 2.108 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2 ZINC000095400808 218335913 /nfs/dbraw/zinc/33/59/13/218335913.db2.gz SSDMMOQOPAAYCH-GJZGRUSLSA-N 0 0 344.415 2.196 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc4nnnn4n3)cc2)n1 ZINC000095413782 218351333 /nfs/dbraw/zinc/35/13/33/218351333.db2.gz YRKKYDZJVGLVBY-ZDUSSCGKSA-N 0 0 334.387 2.495 40 0 EEABRN CN(C)c1ccc(C(N)=O)cc1NC(=O)c1scnc1C1CC1 ZINC000095445149 218389057 /nfs/dbraw/zinc/38/90/57/218389057.db2.gz MRGFPXJOEKVEHD-UHFFFAOYSA-N 0 0 330.413 2.438 40 0 EEABRN O=C1N(c2ccsc2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000096048770 218537273 /nfs/dbraw/zinc/53/72/73/218537273.db2.gz YPTIIJMAGSFDAK-HNNXBMFYSA-N 0 0 340.470 2.059 40 0 EEABRN O=C(Cc1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000096063900 218558016 /nfs/dbraw/zinc/55/80/16/218558016.db2.gz IJENRKOWJFWRMH-CABCVRRESA-N 0 0 327.409 2.092 40 0 EEABRN CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096075145 218574101 /nfs/dbraw/zinc/57/41/01/218574101.db2.gz PMNHYRMTOGDMCH-FZKQIMNGSA-N 0 0 345.399 2.184 40 0 EEABRN COc1ccc(-c2nn([C@H](C)C(=O)NC(C)C)c(=O)cc2OC)cc1 ZINC000096101025 218594838 /nfs/dbraw/zinc/59/48/38/218594838.db2.gz LMUMIYGHCBGXSR-GFCCVEGCSA-N 0 0 345.399 2.013 40 0 EEABRN Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)c1cccc(F)c1)C2 ZINC000096198589 218669274 /nfs/dbraw/zinc/66/92/74/218669274.db2.gz HKYTZLJNKNBBEV-CQSZACIVSA-N 0 0 344.390 2.120 40 0 EEABRN CO[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1Cc1cccc(C)c1 ZINC000096207291 218682375 /nfs/dbraw/zinc/68/23/75/218682375.db2.gz SMIWKLHZTMXQHR-WMZOPIPTSA-N 0 0 327.428 2.448 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096208518 218684180 /nfs/dbraw/zinc/68/41/80/218684180.db2.gz PFQDIONCPCIZHA-HKUYNNGSSA-N 0 0 345.443 2.438 40 0 EEABRN c1cncc(CNc2ccnc([C@@H]3COCCN3CC3CC3)n2)c1 ZINC000096220167 218695386 /nfs/dbraw/zinc/69/53/86/218695386.db2.gz HRBSGGROCXJKPP-INIZCTEOSA-N 0 0 325.416 2.267 40 0 EEABRN Cc1cc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c2c(=O)[nH]n(C)c2n1 ZINC000096405497 218755774 /nfs/dbraw/zinc/75/57/74/218755774.db2.gz GXUBZSUTPSBVGJ-KGLIPLIRSA-N 0 0 336.395 2.104 40 0 EEABRN Cc1cc(N2CCN(C(=O)/C=C/c3cccc(O)c3)CC2)nc(C)n1 ZINC000152966018 224038330 /nfs/dbraw/zinc/03/83/30/224038330.db2.gz VTJMOWDCNRFBLT-VOTSOKGWSA-N 0 0 338.411 2.161 40 0 EEABRN C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096425834 218795299 /nfs/dbraw/zinc/79/52/99/218795299.db2.gz SAKPVRRVOCAFQQ-VIFPVBQESA-N 0 0 340.351 2.254 40 0 EEABRN O=C(Cn1ccccc1=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423808 218791704 /nfs/dbraw/zinc/79/17/04/218791704.db2.gz JRAYMKIJVJNAKI-CQSZACIVSA-N 0 0 345.830 2.287 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(=O)[nH]n1 ZINC000096423813 218791899 /nfs/dbraw/zinc/79/18/99/218791899.db2.gz FZETZQADPSVAQQ-NSHDSACASA-N 0 0 332.791 2.234 40 0 EEABRN CCn1cc(S(=O)(=O)NC[C@H](OC)c2cccc(Cl)c2)cn1 ZINC000096428747 218801284 /nfs/dbraw/zinc/80/12/84/218801284.db2.gz GFWHHSXCYZJOBT-AWEZNQCLSA-N 0 0 343.836 2.222 40 0 EEABRN CCc1c(Cl)nc(C)nc1N1CCN(C(=O)c2cccnc2)CC1 ZINC000096429203 218802585 /nfs/dbraw/zinc/80/25/85/218802585.db2.gz VBWQLOHPOWFBPT-UHFFFAOYSA-N 0 0 345.834 2.358 40 0 EEABRN C[C@@H](NC(=O)CNCC(F)(F)F)c1ccc(-c2cncnc2)cc1 ZINC000096443821 218825197 /nfs/dbraw/zinc/82/51/97/218825197.db2.gz KYETXTVLEFQVGA-LLVKDONJSA-N 0 0 338.333 2.473 40 0 EEABRN Cc1ccccc1-c1noc([C@@H](C)N2CCCS(=O)(=O)CC2)n1 ZINC000096444342 218825315 /nfs/dbraw/zinc/82/53/15/218825315.db2.gz NXXREXWXRPBGBB-CYBMUJFWSA-N 0 0 335.429 2.227 40 0 EEABRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCn3cncn3)cc2)n1 ZINC000096449738 218832243 /nfs/dbraw/zinc/83/22/43/218832243.db2.gz NXZYEZVAMBDZGI-HNNXBMFYSA-N 0 0 338.415 2.348 40 0 EEABRN Cn1c(CCC(N)=O)nnc1SC[C@H]1CCc2ccccc2C1 ZINC000096500743 218876678 /nfs/dbraw/zinc/87/66/78/218876678.db2.gz CUXMSFFRQBLVKK-LBPRGKRZSA-N 0 0 330.457 2.130 40 0 EEABRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000005026398 210366553 /nfs/dbraw/zinc/36/65/53/210366553.db2.gz ZDXCHKAZWOXGNU-LLVKDONJSA-N 0 0 344.392 2.271 40 0 EEABRN CCc1noc([C@@H](C)S(=O)(=O)Cc2cnn(-c3ccccc3)c2)n1 ZINC000097227878 218999062 /nfs/dbraw/zinc/99/90/62/218999062.db2.gz MKTMATUFNRXNJC-GFCCVEGCSA-N 0 0 346.412 2.494 40 0 EEABRN O=C(CNCc1ccccc1F)Nc1ccccc1N1CCOCC1 ZINC000035311451 132389476 /nfs/dbraw/zinc/38/94/76/132389476.db2.gz WFPYZWQUOYWSLT-UHFFFAOYSA-N 0 0 343.402 2.391 40 0 EEABRN CCO[C@H](C)c1noc(CN2CCN(c3cccc(F)n3)CC2)n1 ZINC000078508757 132816670 /nfs/dbraw/zinc/81/66/70/132816670.db2.gz WMHDQHVHZJPYAV-GFCCVEGCSA-N 0 0 335.383 2.023 40 0 EEABRN Cc1cccc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)c1C ZINC000085470920 132820988 /nfs/dbraw/zinc/82/09/88/132820988.db2.gz QFGBDQAXOXMCQO-UHFFFAOYSA-N 0 0 340.427 2.252 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F ZINC000057355070 286068206 /nfs/dbraw/zinc/06/82/06/286068206.db2.gz RRYIBSQQDUEECS-RHSMWYFYSA-N 0 0 336.407 2.278 40 0 EEABRN CN1C(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2C1=O ZINC000021596287 262503026 /nfs/dbraw/zinc/50/30/26/262503026.db2.gz RILXZGYEGSACDA-UHFFFAOYSA-N 0 0 345.405 2.101 40 0 EEABRN CCS(=O)(=O)c1ccc(CNC(=O)N2CCC=C(C)C2)s1 ZINC000280652644 269382238 /nfs/dbraw/zinc/38/22/38/269382238.db2.gz KAEOKWZTLIYHAR-UHFFFAOYSA-N 0 0 328.459 2.403 40 0 EEABRN CCCc1nc2c(C)nn(CC)c2c(NCCC(=O)NC(C)C)n1 ZINC000226688302 276057376 /nfs/dbraw/zinc/05/73/76/276057376.db2.gz JOZWHARTMFHNBT-UHFFFAOYSA-N 0 0 332.452 2.434 40 0 EEABRN CN(C)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cnccn2)s1 ZINC000257317395 282013186 /nfs/dbraw/zinc/01/31/86/282013186.db2.gz VJOWCKODQGRVFI-GFCCVEGCSA-N 0 0 345.428 2.002 40 0 EEABRN Cc1nc([C@@H]2COCCN2C(=O)CCc2ccc(F)cc2)cc(=O)[nH]1 ZINC000257242349 293348151 /nfs/dbraw/zinc/34/81/51/293348151.db2.gz ICBHNYUIDFOHDF-INIZCTEOSA-N 0 0 345.374 2.162 40 0 EEABRN COc1cccc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)c1 ZINC000261720997 295284826 /nfs/dbraw/zinc/28/48/26/295284826.db2.gz FDAKYPZJAMJSFZ-QGZVFWFLSA-N 0 0 326.396 2.491 40 0 EEABRN COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)C3CC3)C[C@H]1CC2 ZINC000019571893 295345013 /nfs/dbraw/zinc/34/50/13/295345013.db2.gz XSTYTUHUWOGSLK-HIFRSBDPSA-N 0 0 338.411 2.309 40 0 EEABRN CC1(C)CC[C@H](CN2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)O1 ZINC000328902655 311630701 /nfs/dbraw/zinc/63/07/01/311630701.db2.gz GWMDMDDRPXFJCR-NEPJUHHUSA-N 0 0 348.369 2.171 40 0 EEABRN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCNC[C@H]1c1ccncc1)CO2 ZINC000333266350 312121327 /nfs/dbraw/zinc/12/13/27/312121327.db2.gz JOOGPMRLSLUXSW-ROUUACIJSA-N 0 0 337.423 2.348 40 0 EEABRN COc1cc(N2CCC(n3cc(Br)cn3)CC2)ncn1 ZINC000548444008 318389262 /nfs/dbraw/zinc/38/92/62/318389262.db2.gz RETFOISHOXSDQW-UHFFFAOYSA-N 0 0 338.209 2.286 40 0 EEABRN CS(=O)(=O)c1ccc(-c2noc(Cc3ccc(O)cc3)n2)cc1 ZINC000131975660 323329207 /nfs/dbraw/zinc/32/92/07/323329207.db2.gz WCFRPMNJSUTSHS-UHFFFAOYSA-N 0 0 330.365 2.437 40 0 EEABRN CC[C@H](O)CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000156280118 323333097 /nfs/dbraw/zinc/33/30/97/323333097.db2.gz YNXZGINEMBQSAB-UONOGXRCSA-N 0 0 340.493 2.310 40 0 EEABRN O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583482007 324671217 /nfs/dbraw/zinc/67/12/17/324671217.db2.gz JNGUUKCWJNQPFJ-BBWFWOEESA-N 0 0 340.427 2.097 40 0 EEABRN Cc1nnnn1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C ZINC000060362401 462543581 /nfs/dbraw/zinc/54/35/81/462543581.db2.gz MHIQLYGHZDSSFE-UHFFFAOYSA-N 0 0 343.412 2.388 40 0 EEABRN O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@H](O)[C@@H](CO)C1 ZINC000085469098 462550413 /nfs/dbraw/zinc/55/04/13/462550413.db2.gz UCZFPAIRZIOTHK-QWFCFKBJSA-N 0 0 339.435 2.457 40 0 EEABRN CCc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1 ZINC000000411052 462558820 /nfs/dbraw/zinc/55/88/20/462558820.db2.gz RDUDPEPHRCCEFA-UHFFFAOYSA-N 0 0 339.424 2.469 40 0 EEABRN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1ccn(-c2ccccc2F)n1 ZINC000086062217 462564904 /nfs/dbraw/zinc/56/49/04/462564904.db2.gz YSSBPTLWFHRTAC-LBPRGKRZSA-N 0 0 343.358 2.179 40 0 EEABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1 ZINC000000810024 462573018 /nfs/dbraw/zinc/57/30/18/462573018.db2.gz KLGXCNQNMPCUOF-UHFFFAOYSA-N 0 0 338.473 2.318 40 0 EEABRN C[C@@H]1CCc2c(sc3nnn(CC(=O)NC4CCCC4)c(=O)c32)C1 ZINC000001331956 462578569 /nfs/dbraw/zinc/57/85/69/462578569.db2.gz KGVAPJXGBUDORL-SNVBAGLBSA-N 0 0 346.456 2.037 40 0 EEABRN COc1ccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000001341984 462578973 /nfs/dbraw/zinc/57/89/73/462578973.db2.gz KKWMMRNIDUFUJL-HNNXBMFYSA-N 0 0 326.400 2.018 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1 ZINC000001347899 462579414 /nfs/dbraw/zinc/57/94/14/462579414.db2.gz NPDBXXPMKFNYRO-UHFFFAOYSA-N 0 0 332.425 2.062 40 0 EEABRN Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000087501573 462610165 /nfs/dbraw/zinc/61/01/65/462610165.db2.gz ZMSBZLBLNIMOIW-CYBMUJFWSA-N 0 0 348.397 2.253 40 0 EEABRN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(F)(F)Cl ZINC000153090338 462614783 /nfs/dbraw/zinc/61/47/83/462614783.db2.gz WHACQCXOPQTSRJ-LBPRGKRZSA-N 0 0 330.762 2.025 40 0 EEABRN COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c1 ZINC000006176086 462678061 /nfs/dbraw/zinc/67/80/61/462678061.db2.gz WZWKJGVUZDNYHJ-GFCCVEGCSA-N 0 0 334.397 2.001 40 0 EEABRN CCCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000006320720 462681641 /nfs/dbraw/zinc/68/16/41/462681641.db2.gz QWZCDCWQTBDWIG-UHFFFAOYSA-N 0 0 329.418 2.015 40 0 EEABRN CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000006440343 462686607 /nfs/dbraw/zinc/68/66/07/462686607.db2.gz KVROSERCSSEISS-XFFZJAGNSA-N 0 0 340.382 2.345 40 0 EEABRN COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)cc1 ZINC000006457880 462686628 /nfs/dbraw/zinc/68/66/28/462686628.db2.gz YWSUUWIRGKVKGF-UHFFFAOYSA-N 0 0 340.788 2.248 40 0 EEABRN COc1ccc(/C=C/C(=O)NCc2ccccn2)c(OC)c1OC ZINC000006544973 462688989 /nfs/dbraw/zinc/68/89/89/462688989.db2.gz REXUNVZFIHAGIB-CSKARUKUSA-N 0 0 328.368 2.437 40 0 EEABRN Cc1sc(C(=O)Nc2ccccc2O)cc1S(=O)(=O)N(C)C ZINC000006679453 462695634 /nfs/dbraw/zinc/69/56/34/462695634.db2.gz RUYDLCFDIGVBNQ-UHFFFAOYSA-N 0 0 340.426 2.265 40 0 EEABRN Cc1cc(NC(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)on1 ZINC000075486132 462721751 /nfs/dbraw/zinc/72/17/51/462721751.db2.gz GVPDOKQMHZQAMV-OAHLLOKOSA-N 0 0 343.431 2.315 40 0 EEABRN COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S ZINC000008091982 462765896 /nfs/dbraw/zinc/76/58/96/462765896.db2.gz CLSJJBADKSAKCK-YHYXMXQVSA-N 0 0 343.813 2.420 40 0 EEABRN C#CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1 ZINC000008091996 462766032 /nfs/dbraw/zinc/76/60/32/462766032.db2.gz ZXIHKCJVFRXUNQ-LCYFTJDESA-N 0 0 347.417 2.073 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(-c3cnccn3)n2)C1 ZINC000012239514 462848673 /nfs/dbraw/zinc/84/86/73/462848673.db2.gz DEKITGLVCFZBCO-UPJWGTAASA-N 0 0 339.399 2.001 40 0 EEABRN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCc2cccc(F)c2)C1 ZINC000076374964 462850097 /nfs/dbraw/zinc/85/00/97/462850097.db2.gz FBJXGSFAZCOJGO-GJZGRUSLSA-N 0 0 327.421 2.230 40 0 EEABRN O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NC1CC1 ZINC000013266590 462889518 /nfs/dbraw/zinc/88/95/18/462889518.db2.gz ZVSOZRDGMWXLEB-UHFFFAOYSA-N 0 0 349.818 2.163 40 0 EEABRN COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000013410661 462891564 /nfs/dbraw/zinc/89/15/64/462891564.db2.gz BBHHZABAQRSDBH-IEAUQHRDSA-N 0 0 349.383 2.421 40 0 EEABRN CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1OC)CC2=O ZINC000013637207 462897915 /nfs/dbraw/zinc/89/79/15/462897915.db2.gz WOXZFUBBPNFASE-NSHDSACASA-N 0 0 341.363 2.473 40 0 EEABRN CC[C@@H](C(=O)NCC(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715087 462901000 /nfs/dbraw/zinc/90/10/00/462901000.db2.gz XFHCWEDCJMELHK-AWEZNQCLSA-N 0 0 330.425 2.143 40 0 EEABRN COc1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000015306878 462946948 /nfs/dbraw/zinc/94/69/48/462946948.db2.gz KXQTVEAUDIDLNS-UHFFFAOYSA-N 0 0 343.379 2.334 40 0 EEABRN CCCn1cnc2c1CN(C(=O)c1ccccc1)[C@H](C(=O)OC)C2 ZINC000015706986 462961522 /nfs/dbraw/zinc/96/15/22/462961522.db2.gz YVZGDQOFUDAEHH-HNNXBMFYSA-N 0 0 327.384 2.033 40 0 biogenic,in-vitro EEABRN CN(C)c1ncc(CN(C)C(=O)Cc2cnc3ccccc3c2)cn1 ZINC000133829490 462975733 /nfs/dbraw/zinc/97/57/33/462975733.db2.gz JAQZAGKZGWOGQW-UHFFFAOYSA-N 0 0 335.411 2.292 40 0 EEABRN CNS(=O)(=O)c1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000017305501 462997757 /nfs/dbraw/zinc/99/77/57/462997757.db2.gz VYUSGRPKWXGTEA-UHFFFAOYSA-N 0 0 348.468 2.293 40 0 EEABRN C[C@@](O)(CNC(=O)NCCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000077577249 463008224 /nfs/dbraw/zinc/00/82/24/463008224.db2.gz MHWUXEQQUWYJLF-GOSISDBHSA-N 0 0 346.452 2.432 40 0 EEABRN Nc1cc(NC(=O)COc2ccccc2)ccc1N1CCOCC1 ZINC000020154113 463025826 /nfs/dbraw/zinc/02/58/26/463025826.db2.gz LGFYQDSPSYYTLN-UHFFFAOYSA-N 0 0 327.384 2.123 40 0 EEABRN COc1ccc([C@H](N)c2n[nH]c(CNc3cccc(OC)c3)n2)cc1 ZINC000095533694 463106811 /nfs/dbraw/zinc/10/68/11/463106811.db2.gz GVRCWORNNLOXLV-KRWDZBQOSA-N 0 0 339.399 2.482 40 0 EEABRN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095534213 463107441 /nfs/dbraw/zinc/10/74/41/463107441.db2.gz LTHVYRNCGKQBRM-OAHLLOKOSA-N 0 0 325.372 2.322 40 0 EEABRN Cc1[nH]c2ccccc2c1CCNC(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000135072571 463114795 /nfs/dbraw/zinc/11/47/95/463114795.db2.gz FMSGFGZNMNGURV-DZGCQCFKSA-N 0 0 345.443 2.200 40 0 EEABRN Cc1ccn2ncc(C(=O)OCCN(C)C(=O)OC(C)(C)C)c2n1 ZINC000078715064 463142659 /nfs/dbraw/zinc/14/26/59/463142659.db2.gz IYDNPUBCKUCWSL-UHFFFAOYSA-N 0 0 334.376 2.061 40 0 EEABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096039275 463143686 /nfs/dbraw/zinc/14/36/86/463143686.db2.gz OHOHIFAVRRUKGU-IEBWSBKVSA-N 0 0 347.411 2.002 40 0 EEABRN O=C(Cc1ccccn1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096039867 463145257 /nfs/dbraw/zinc/14/52/57/463145257.db2.gz PYSVFNIGDZUPSF-ICSRJNTNSA-N 0 0 344.455 2.448 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042106 463146756 /nfs/dbraw/zinc/14/67/56/463146756.db2.gz SPJWQVIFJJJZRB-BHYGNILZSA-N 0 0 333.432 2.010 40 0 EEABRN Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)Cc4cccc(F)c4)C[C@H]3O2)no1 ZINC000096046405 463149744 /nfs/dbraw/zinc/14/97/44/463149744.db2.gz MEAQUTSKXOPABS-CWRNSKLLSA-N 0 0 345.374 2.438 40 0 EEABRN O=S(=O)(c1ccc(N[C@@H](CO)c2ccccc2)nc1)N1CCCC1 ZINC000078850382 463157636 /nfs/dbraw/zinc/15/76/36/463157636.db2.gz ZCWKKXMGTQLQMZ-INIZCTEOSA-N 0 0 347.440 2.012 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC000096055467 463157870 /nfs/dbraw/zinc/15/78/70/463157870.db2.gz FWQUZWZOFHFPQI-USXIJHARSA-N 0 0 339.395 2.175 40 0 EEABRN O=C(c1ccsc1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1ccncc1 ZINC000096055689 463158617 /nfs/dbraw/zinc/15/86/17/463158617.db2.gz NREWHANHHHZWQF-LSDHHAIUSA-N 0 0 327.409 2.159 40 0 EEABRN O=C(c1ccccn1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 ZINC000096058352 463159605 /nfs/dbraw/zinc/15/96/05/463159605.db2.gz ZHIXLGRNCFXHHC-BJLQDIEVSA-N 0 0 349.434 2.324 40 0 EEABRN O=C(c1ccoc1)N1C[C@H]2[C@H](CC[C@@]23NC(c2ccccc2)=NC3=O)C1 ZINC000096061754 463160955 /nfs/dbraw/zinc/16/09/55/463160955.db2.gz GLYMLQHNQMHENV-PTSWNOGYSA-N 0 0 349.390 2.077 40 0 EEABRN O=C([C@@H]1CCCO1)N1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096062974 463162594 /nfs/dbraw/zinc/16/25/94/463162594.db2.gz KMGFCWNDNBGLMT-WMLDXEAASA-N 0 0 335.473 2.137 40 0 EEABRN O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000096064013 463163439 /nfs/dbraw/zinc/16/34/39/463163439.db2.gz DACDOOWACQYYTM-DLBZAZTESA-N 0 0 326.375 2.105 40 0 EEABRN CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068289 463166334 /nfs/dbraw/zinc/16/63/34/463166334.db2.gz CEFUDBZCFFLGSO-OAHLLOKOSA-N 0 0 329.400 2.285 40 0 EEABRN CO[C@]1(CNS(=O)(=O)c2cc(C)c(C)cc2C)CCSC1 ZINC000096097668 463172216 /nfs/dbraw/zinc/17/22/16/463172216.db2.gz LQASTAXRJURPGY-HNNXBMFYSA-N 0 0 329.487 2.412 40 0 EEABRN COCc1cnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H]2C ZINC000096109619 463178021 /nfs/dbraw/zinc/17/80/21/463178021.db2.gz JLCWPQRKJYDAAI-CQSZACIVSA-N 0 0 329.400 2.320 40 0 EEABRN O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccccn1 ZINC000096112495 463180073 /nfs/dbraw/zinc/18/00/73/463180073.db2.gz NBVMPLFNNLVMBI-LBPRGKRZSA-N 0 0 326.331 2.072 40 0 biogenic,in-vitro EEABRN O=C(COc1ccccc1)NCc1nccc(N2CCCCC2)n1 ZINC000096120840 463182305 /nfs/dbraw/zinc/18/23/05/463182305.db2.gz ANERCBKBIILGCW-UHFFFAOYSA-N 0 0 326.400 2.162 40 0 EEABRN Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)o1 ZINC000096181580 463194579 /nfs/dbraw/zinc/19/45/79/463194579.db2.gz DGZVYVMJXINGLE-ROUUACIJSA-N 0 0 342.395 2.111 40 0 EEABRN O=C(c1ccsc1)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC000096185047 463195719 /nfs/dbraw/zinc/19/57/19/463195719.db2.gz IZEVUTJXKDVYQW-XHSDSOJGSA-N 0 0 337.441 2.031 40 0 EEABRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccoc2)cs1 ZINC000096186373 463197881 /nfs/dbraw/zinc/19/78/81/463197881.db2.gz GVIUGJXYJNJGGJ-HUUCEWRRSA-N 0 0 345.424 2.450 40 0 EEABRN Fc1cccnc1O[C@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096187212 463198629 /nfs/dbraw/zinc/19/86/29/463198629.db2.gz STESVPGJJHTCAR-IKGGRYGDSA-N 0 0 329.375 2.427 40 0 EEABRN Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)CC2CC2)n1 ZINC000096186540 463199126 /nfs/dbraw/zinc/19/91/26/463199126.db2.gz BLXMLKUCQREDRP-IAGOWNOFSA-N 0 0 327.428 2.282 40 0 EEABRN COCc1cncc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096189293 463200372 /nfs/dbraw/zinc/20/03/72/463200372.db2.gz JOBWQPLJPFCSSH-UHFFFAOYSA-N 0 0 332.425 2.283 40 0 EEABRN COc1ccc(C2=NO[C@@](C)(C(=O)Nc3cc(C)nn3C)C2)cc1 ZINC000096192760 463201208 /nfs/dbraw/zinc/20/12/08/463201208.db2.gz UKTJLLLMDPZYKG-QGZVFWFLSA-N 0 0 328.372 2.259 40 0 EEABRN O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1ccsc1)CC2 ZINC000096197416 463203305 /nfs/dbraw/zinc/20/33/05/463203305.db2.gz NVXDJDXIPDJJCB-UHFFFAOYSA-N 0 0 330.457 2.377 40 0 EEABRN O=C(NCc1cn2c(n1)CN(Cc1cccc(F)c1)CC2)C1CCC1 ZINC000096197437 463203416 /nfs/dbraw/zinc/20/34/16/463203416.db2.gz VBFIVHNEMUQEDT-UHFFFAOYSA-N 0 0 342.418 2.454 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2cn(CC3CC3)nc21 ZINC000096198167 463204313 /nfs/dbraw/zinc/20/43/13/463204313.db2.gz VTECBJZVUWGQJH-HNNXBMFYSA-N 0 0 344.415 2.366 40 0 EEABRN O=S(=O)(C1CC1)N1CCC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096203239 463208368 /nfs/dbraw/zinc/20/83/68/463208368.db2.gz NMFUKQBSJPLCLJ-QGZVFWFLSA-N 0 0 335.473 2.004 40 0 EEABRN Cc1nc(CN2CCC3(CN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096202535 463209061 /nfs/dbraw/zinc/20/90/61/463209061.db2.gz IABZZNNGOOEBSP-UHFFFAOYSA-N 0 0 328.441 2.195 40 0 EEABRN CCN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1cccs1)CC2 ZINC000096217686 463215478 /nfs/dbraw/zinc/21/54/78/463215478.db2.gz OXBIQHNOQNANAE-HNNXBMFYSA-N 0 0 342.486 2.304 40 0 EEABRN c1cc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)ccn1 ZINC000096219155 463216692 /nfs/dbraw/zinc/21/66/92/463216692.db2.gz OZVZLROUAGBIOQ-INIZCTEOSA-N 0 0 325.416 2.267 40 0 EEABRN Cc1cccc(N2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)n1 ZINC000096221566 463218068 /nfs/dbraw/zinc/21/80/68/463218068.db2.gz BVEIWOXHOSHAMA-HNNXBMFYSA-N 0 0 325.416 2.420 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227194 463221838 /nfs/dbraw/zinc/22/18/38/463221838.db2.gz UTTRSFZPCMFCHB-MAUKXSAKSA-N 0 0 331.416 2.260 40 0 EEABRN O=C1C[C@@]2(CCN(c3cnccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239046 463224533 /nfs/dbraw/zinc/22/45/33/463224533.db2.gz OXPVMIUZSYGLGA-QGZVFWFLSA-N 0 0 330.338 2.388 40 0 EEABRN COCCNC(=O)[C@H]1C[C@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000096262496 463231504 /nfs/dbraw/zinc/23/15/04/463231504.db2.gz NIJZCFHMUDVGGV-UYAOXDASSA-N 0 0 346.471 2.342 40 0 EEABRN O=C(Cc1cccnc1)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269339 463233131 /nfs/dbraw/zinc/23/31/31/463233131.db2.gz HPIMKELCSPBDFO-KRWDZBQOSA-N 0 0 348.406 2.203 40 0 biogenic,in-vitro EEABRN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407599 463241137 /nfs/dbraw/zinc/24/11/37/463241137.db2.gz DNQKRKYRHHASFD-UKRRQHHQSA-N 0 0 349.450 2.462 40 0 EEABRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC000096409324 463242393 /nfs/dbraw/zinc/24/23/93/463242393.db2.gz LDZNTIIEBGGOSC-INIZCTEOSA-N 0 0 343.402 2.232 40 0 EEABRN CC(C)c1nc(CNC(=O)NCC[C@@H](O)C(F)(F)F)cs1 ZINC000096413321 463246031 /nfs/dbraw/zinc/24/60/31/463246031.db2.gz DMCBNCYCGJHFDK-SECBINFHSA-N 0 0 325.356 2.379 40 0 EEABRN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(OC2CCOCC2)CC1 ZINC000096417444 463249518 /nfs/dbraw/zinc/24/95/18/463249518.db2.gz LZGMHMNUDQMZCY-YJBOKZPZSA-N 0 0 338.492 2.341 40 0 EEABRN Cc1ccnc2nc(C(=O)NCc3coc(-c4ccccc4)n3)nn21 ZINC000096423224 463253574 /nfs/dbraw/zinc/25/35/74/463253574.db2.gz RYFHVFGFVGMTGF-UHFFFAOYSA-N 0 0 334.339 2.018 40 0 EEABRN CCO[C@H]1C[C@H](NC(=O)NCc2nnc3ccccn32)C12CCCC2 ZINC000096437542 463266077 /nfs/dbraw/zinc/26/60/77/463266077.db2.gz ISTLZDMBERKZRA-KBPBESRZSA-N 0 0 343.431 2.266 40 0 EEABRN Cc1ccc([C@H]2CN(CC(=O)NCc3cccnc3)CCO2)c(C)c1 ZINC000096441477 463267493 /nfs/dbraw/zinc/26/74/93/463267493.db2.gz GCHNWWPCXONNCM-LJQANCHMSA-N 0 0 339.439 2.388 40 0 EEABRN CNC(=O)CC1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000096445983 463271247 /nfs/dbraw/zinc/27/12/47/463271247.db2.gz JCSHYUUFEUHGKA-UHFFFAOYSA-N 0 0 341.415 2.457 40 0 EEABRN Cc1ccc(C(=O)N2CCC(NC(=O)c3cnoc3C)CC2)s1 ZINC000096446450 463271387 /nfs/dbraw/zinc/27/13/87/463271387.db2.gz XKSFVMCWMIWLLG-UHFFFAOYSA-N 0 0 333.413 2.388 40 0 EEABRN O=C(NCCCNC(=O)C1CCC1)N[C@H](c1nccs1)C1CC1 ZINC000096452376 463273047 /nfs/dbraw/zinc/27/30/47/463273047.db2.gz PQGSCYMNAOOGQG-ZDUSSCGKSA-N 0 0 336.461 2.200 40 0 EEABRN Cn1cc(-c2nc(C[S@@](=O)C[C@@H]3CCCCO3)cs2)cn1 ZINC000096452474 463273198 /nfs/dbraw/zinc/27/31/98/463273198.db2.gz MCCBJJVBPIKIOR-ZSEKCTLFSA-N 0 0 325.459 2.361 40 0 EEABRN Cc1cc(C(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)no1 ZINC000096454568 463273832 /nfs/dbraw/zinc/27/38/32/463273832.db2.gz XZXWMNDNQZNLJX-AWEZNQCLSA-N 0 0 341.289 2.132 40 0 EEABRN CCn1nc(C)cc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096455993 463275347 /nfs/dbraw/zinc/27/53/47/463275347.db2.gz OMQVHVCQMXPNOZ-CQSZACIVSA-N 0 0 346.818 2.400 40 0 EEABRN C[C@@H](C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1 ZINC000096461707 463276254 /nfs/dbraw/zinc/27/62/54/463276254.db2.gz LFFBUTOFNCQXLC-NSHDSACASA-N 0 0 344.502 2.366 40 0 EEABRN CCOc1ccc(Cn2c3ccccc3nc2S(C)(=O)=O)nc1 ZINC000096459509 463276641 /nfs/dbraw/zinc/27/66/41/463276641.db2.gz ZGBVFOCIPVLYDA-UHFFFAOYSA-N 0 0 331.397 2.282 40 0 EEABRN CC(C)C[C@@H]1CCCCN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000096465873 463278015 /nfs/dbraw/zinc/27/80/15/463278015.db2.gz OBFIUEGOELIGSW-AWEZNQCLSA-N 0 0 330.494 2.421 40 0 EEABRN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000096473773 463278647 /nfs/dbraw/zinc/27/86/47/463278647.db2.gz MMBALNXROBWSEG-GHMZBOCLSA-N 0 0 334.811 2.127 40 0 EEABRN COc1cccc2c1CC[C@H]2NC(=O)N1CCC(n2cncn2)CC1 ZINC000096471465 463279292 /nfs/dbraw/zinc/27/92/92/463279292.db2.gz ODNGAWWVLIHRSN-MRXNPFEDSA-N 0 0 341.415 2.321 40 0 EEABRN Cc1csc(-c2cccc(OC[C@@H](O)CN3CCOCC3)c2)n1 ZINC000096484804 463283933 /nfs/dbraw/zinc/28/39/33/463283933.db2.gz NUFKUWDVXMPQHC-HNNXBMFYSA-N 0 0 334.441 2.190 40 0 EEABRN C[C@H](CCCO)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000096487677 463284725 /nfs/dbraw/zinc/28/47/25/463284725.db2.gz YDZMZQGYLMJYLR-MNOVXSKESA-N 0 0 342.798 2.109 40 0 EEABRN Cc1nc(C[C@H]2CCCN(c3cc(NCC4CC4)ncn3)C2)no1 ZINC000096496705 463289241 /nfs/dbraw/zinc/28/92/41/463289241.db2.gz WUDHLSLRHHGLLE-CQSZACIVSA-N 0 0 328.420 2.449 40 0 EEABRN O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)Nc1ccccc1 ZINC000096500493 463290111 /nfs/dbraw/zinc/29/01/11/463290111.db2.gz XJFADDGZRTWYMG-FQEVSTJZSA-N 0 0 334.375 2.268 40 0 EEABRN CCOCCN(Cc1cccc(Br)c1)S(C)(=O)=O ZINC000096501098 463291070 /nfs/dbraw/zinc/29/10/70/463291070.db2.gz HABCEKAZWZEURM-UHFFFAOYSA-N 0 0 336.251 2.247 40 0 EEABRN Cc1c(I)cccc1NC(=O)N1CC[C@H](O)C1 ZINC000096500717 463291824 /nfs/dbraw/zinc/29/18/24/463291824.db2.gz HEKQTLMGPCZHAL-VIFPVBQESA-N 0 0 346.168 2.198 40 0 EEABRN CN(CC1=CCCOC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000097095370 463321347 /nfs/dbraw/zinc/32/13/47/463321347.db2.gz DQNRYBBARZGYCA-AWEZNQCLSA-N 0 0 339.233 2.254 40 0 EEABRN CCc1onc(C)c1C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000097097339 463322668 /nfs/dbraw/zinc/32/26/68/463322668.db2.gz KKTLTWFIDNTQOP-JTQLQIEISA-N 0 0 347.337 2.076 40 0 EEABRN CNc1nc(N2CCC[C@@H](n3cccn3)C2)ncc1Br ZINC000097103060 463323992 /nfs/dbraw/zinc/32/39/92/463323992.db2.gz LDRYRZLVBQWTCY-SNVBAGLBSA-N 0 0 337.225 2.319 40 0 EEABRN COC1(CNC(=O)[C@@H](O)c2ccc(Br)cc2)CCC1 ZINC000097236509 463352786 /nfs/dbraw/zinc/35/27/86/463352786.db2.gz MOSHWCFSACQBBW-LBPRGKRZSA-N 0 0 328.206 2.168 40 0 EEABRN Cc1nccc(N2CCN(C(=O)NC[C@H](C)c3cccs3)CC2)n1 ZINC000097376453 463356292 /nfs/dbraw/zinc/35/62/92/463356292.db2.gz PZWRAYSMNUUMCE-ZDUSSCGKSA-N 0 0 345.472 2.482 40 0 EEABRN Cc1nsc(NCc2ccccc2OCCN2CCOCC2)n1 ZINC000080970520 463375456 /nfs/dbraw/zinc/37/54/56/463375456.db2.gz FJSHIPKSSVHPAC-UHFFFAOYSA-N 0 0 334.445 2.170 40 0 EEABRN Cc1nnc(Sc2c(N)cc(C(=O)OC(C)C)cc2Cl)n1N ZINC000070462548 463376717 /nfs/dbraw/zinc/37/67/17/463376717.db2.gz ZKTHPRDVKACPRW-UHFFFAOYSA-N 0 0 341.824 2.252 40 0 EEABRN CCN1C(=O)[C@H]2C(=O)N(C)C3(c4ccccc4-c4ccccc43)[C@H]2C1=O ZINC000103583991 463404997 /nfs/dbraw/zinc/40/49/97/463404997.db2.gz QCJCNECOFMLEBD-IAGOWNOFSA-N 0 0 346.386 2.004 40 0 EEABRN C[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2NC1=O ZINC000071538665 463417245 /nfs/dbraw/zinc/41/72/45/463417245.db2.gz VMHSYXZFBZAFEU-VIFPVBQESA-N 0 0 336.344 2.346 40 0 EEABRN CCc1noc(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 ZINC000041124107 463468031 /nfs/dbraw/zinc/46/80/31/463468031.db2.gz SLEYDAXIGCHKAT-OAHLLOKOSA-N 0 0 343.383 2.178 40 0 EEABRN C[C@H]1CN(C(=O)CCN2c3ccccc3C(C)(C)C2=O)C[C@H](C)O1 ZINC000057355673 463480616 /nfs/dbraw/zinc/48/06/16/463480616.db2.gz FTQJWBMNQPADIP-KBPBESRZSA-N 0 0 330.428 2.337 40 0 EEABRN Cc1cc([C@](C)(O)CNC(=O)c2cccnc2-n2cccn2)c(C)o1 ZINC000081817568 463497111 /nfs/dbraw/zinc/49/71/11/463497111.db2.gz ZIXLQUXZYUFYJN-GOSISDBHSA-N 0 0 340.383 2.115 40 0 EEABRN COCCC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000072327756 463509026 /nfs/dbraw/zinc/50/90/26/463509026.db2.gz POPGMGDTBRBTCH-HNAYVOBHSA-N 0 0 346.427 2.044 40 0 EEABRN C[C@]1(c2ccccc2)NC(=O)N(Cc2cccc3c2OCCO3)C1=O ZINC000058156725 463544045 /nfs/dbraw/zinc/54/40/45/463544045.db2.gz SASGSAFSOZWCMN-LJQANCHMSA-N 0 0 338.363 2.425 40 0 EEABRN CN(C)c1ncc(CNS(=O)(=O)c2cccc3ccccc32)n1C ZINC000083992724 463572323 /nfs/dbraw/zinc/57/23/23/463572323.db2.gz GYNFRLYCQSVMNE-UHFFFAOYSA-N 0 0 344.440 2.118 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000108043767 463588252 /nfs/dbraw/zinc/58/82/52/463588252.db2.gz YHQXIONQMJRWTM-KBPBESRZSA-N 0 0 326.462 2.373 40 0 EEABRN COc1cccc2cc([C@@H](C)NC(=O)N(C)Cc3ncnn3C)oc21 ZINC000073603702 463630331 /nfs/dbraw/zinc/63/03/31/463630331.db2.gz ARQNNZJJUHOTLG-LLVKDONJSA-N 0 0 343.387 2.473 40 0 EEABRN C[C@@]1(NC(=O)c2cc(Cl)sc2Cl)CCS(=O)(=O)C1 ZINC000044868324 463697132 /nfs/dbraw/zinc/69/71/32/463697132.db2.gz GOVSOYMETHLMHZ-SNVBAGLBSA-N 0 0 328.242 2.362 40 0 EEABRN COc1cccc2c1CC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000152507618 463698776 /nfs/dbraw/zinc/69/87/76/463698776.db2.gz JBKRWUAEDYNVLW-IUODEOHRSA-N 0 0 345.443 2.381 40 0 EEABRN CCc1cnccc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 ZINC000184973611 463727705 /nfs/dbraw/zinc/72/77/05/463727705.db2.gz YLSVGGIFJRVIJK-UHFFFAOYSA-N 0 0 346.408 2.087 40 0 EEABRN NC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)s1 ZINC000257307809 463771503 /nfs/dbraw/zinc/77/15/03/463771503.db2.gz TUFGZXMQSJSZCO-GFCCVEGCSA-N 0 0 333.388 2.287 40 0 EEABRN c1cc(CN2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)n[nH]1 ZINC000257309205 463772324 /nfs/dbraw/zinc/77/23/24/463772324.db2.gz TZYOFWGTGSLCCN-CYBMUJFWSA-N 0 0 336.403 2.113 40 0 EEABRN C[C@]1(O)CCN(C(=O)c2ccncc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257308158 463772343 /nfs/dbraw/zinc/77/23/43/463772343.db2.gz TVQOMPUDILUJIU-WMZOPIPTSA-N 0 0 330.359 2.265 40 0 EEABRN CC(=O)N1CCC[C@@H]2N(C(=O)COc3ccccc3)CCC[C@@]21C ZINC000257308871 463772644 /nfs/dbraw/zinc/77/26/44/463772644.db2.gz TYOQGHAHBWEJJS-HKUYNNGSSA-N 0 0 330.428 2.457 40 0 EEABRN COc1ncccc1C(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(C)=O ZINC000257313819 463773292 /nfs/dbraw/zinc/77/32/92/463773292.db2.gz UUFXAWACTWUFKR-QAPCUYQASA-N 0 0 331.416 2.096 40 0 EEABRN CO[C@H]1CCCOC12CCN(C(=O)COc1cccc(F)c1)CC2 ZINC000257312875 463773457 /nfs/dbraw/zinc/77/34/57/463773457.db2.gz UPZIIOSVFYTDLI-INIZCTEOSA-N 0 0 337.391 2.391 40 0 EEABRN Cn1cnc(C(=O)N2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257327590 463779732 /nfs/dbraw/zinc/77/97/32/463779732.db2.gz XBYMPGMCNWPRAN-HNNXBMFYSA-N 0 0 339.395 2.498 40 0 EEABRN Cc1ccc(CN2C(=O)C[C@]23COCCN(C(=O)CC2CC2)C3)cc1 ZINC000257326837 463779808 /nfs/dbraw/zinc/77/98/08/463779808.db2.gz WYUMGYFQEILZFK-FQEVSTJZSA-N 0 0 342.439 2.125 40 0 EEABRN Cc1ccnc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000257331361 463780672 /nfs/dbraw/zinc/78/06/72/463780672.db2.gz XSNAXYHFHNGZIJ-NSHDSACASA-N 0 0 339.367 2.241 40 0 EEABRN CC(=O)NCC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257335746 463782025 /nfs/dbraw/zinc/78/20/25/463782025.db2.gz YLQCSSNBYBHJNC-INIZCTEOSA-N 0 0 345.374 2.204 40 0 EEABRN COC(=O)c1ccc(NC(=O)NCC2(C)OCCCO2)cc1Cl ZINC000276931674 463809837 /nfs/dbraw/zinc/80/98/37/463809837.db2.gz MLJDNRYMSYHOLP-UHFFFAOYSA-N 0 0 342.779 2.401 40 0 EEABRN CC[C@]1(C)CN(C(=O)NCCc2cc(OC)ccc2OC)CCO1 ZINC000276974792 463827100 /nfs/dbraw/zinc/82/71/00/463827100.db2.gz UTFZJVODWMRCQO-GOSISDBHSA-N 0 0 336.432 2.457 40 0 EEABRN Cc1cc(NC(=O)CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000195561438 464077518 /nfs/dbraw/zinc/07/75/18/464077518.db2.gz AURDDNPXYQYRSH-JTQLQIEISA-N 0 0 345.334 2.461 40 0 EEABRN C[C@H](C(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000195570861 464078897 /nfs/dbraw/zinc/07/88/97/464078897.db2.gz LGLXJHLNSRGHSE-RISCZKNCSA-N 0 0 349.374 2.500 40 0 EEABRN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000179199370 464080278 /nfs/dbraw/zinc/08/02/78/464080278.db2.gz LFNOVIUMRHBELV-CYBMUJFWSA-N 0 0 343.387 2.324 40 0 EEABRN CC[C@@]1(C)CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000195574734 464080433 /nfs/dbraw/zinc/08/04/33/464080433.db2.gz JDEHTAMBBGIKML-JSGCOSHPSA-N 0 0 337.386 2.081 40 0 EEABRN COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)N(C)C(C)C ZINC000195577601 464080765 /nfs/dbraw/zinc/08/07/65/464080765.db2.gz RKDRBWSQJHSOHL-OAHLLOKOSA-N 0 0 335.379 2.441 40 0 EEABRN O=C(Cc1ccoc1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000186977361 464086259 /nfs/dbraw/zinc/08/62/59/464086259.db2.gz OQQHXXIYJIGGQG-UHFFFAOYSA-N 0 0 338.360 2.041 40 0 EEABRN CC1(C)CC(=O)Nc2ccc(C(=O)NCCCn3ccnc3)cc21 ZINC000222282653 464129338 /nfs/dbraw/zinc/12/93/38/464129338.db2.gz WXBPISCAVASEJY-UHFFFAOYSA-N 0 0 326.400 2.323 40 0 EEABRN CN(c1cccc(C(=O)NCCCc2ccccc2)c1)S(C)(=O)=O ZINC000222418356 464130523 /nfs/dbraw/zinc/13/05/23/464130523.db2.gz RZVOUFIFIROPOQ-UHFFFAOYSA-N 0 0 346.452 2.445 40 0 EEABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)n1C ZINC000223610730 464145625 /nfs/dbraw/zinc/14/56/25/464145625.db2.gz RHJMWAZRZNLNII-HOTGVXAUSA-N 0 0 330.457 2.083 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C ZINC000223798007 464147114 /nfs/dbraw/zinc/14/71/14/464147114.db2.gz ZKDCSRMEUAAONB-UHFFFAOYSA-N 0 0 349.364 2.311 40 0 EEABRN Oc1cccc(CN2CCN(C(=S)NCc3ccco3)CC2)c1 ZINC000225221527 464154566 /nfs/dbraw/zinc/15/45/66/464154566.db2.gz KNGIAPPOJFVHBD-UHFFFAOYSA-N 0 0 331.441 2.178 40 0 EEABRN CCn1nccc1S(=O)(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000225436260 464159432 /nfs/dbraw/zinc/15/94/32/464159432.db2.gz ITZFMYPZDRLLDL-UHFFFAOYSA-N 0 0 343.412 2.185 40 0 EEABRN Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)CC(F)(F)F)C2=O)cc1C ZINC000225457371 464160854 /nfs/dbraw/zinc/16/08/54/464160854.db2.gz ABRUIDDLLZQZCB-IUODEOHRSA-N 0 0 344.333 2.384 40 0 EEABRN CCc1noc(CC)c1CNC(=O)C1CCN(CC(F)F)CC1 ZINC000225562074 464172737 /nfs/dbraw/zinc/17/27/37/464172737.db2.gz ITWBNNMPJRROGN-UHFFFAOYSA-N 0 0 329.391 2.393 40 0 EEABRN FCCn1ncnc1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470675 464453686 /nfs/dbraw/zinc/45/36/86/464453686.db2.gz NWZATCPNVAHDPB-NSHDSACASA-N 0 0 346.332 2.300 40 0 EEABRN CCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000242500356 464457709 /nfs/dbraw/zinc/45/77/09/464457709.db2.gz BTZVYZNYSDRTOB-UHFFFAOYSA-N 0 0 348.852 2.031 40 0 EEABRN O=C(NCc1ccc(Br)cc1)NC[C@@H]1CC[C@H](O)C1 ZINC000190569569 464679645 /nfs/dbraw/zinc/67/96/45/464679645.db2.gz LIEXZBSJJWIKNR-YPMHNXCESA-N 0 0 327.222 2.409 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CC2(C1)C[C@H](OCC1CC1)CS2 ZINC000247812621 464707982 /nfs/dbraw/zinc/70/79/82/464707982.db2.gz ADYMFMBMCFZJBB-AWEZNQCLSA-N 0 0 335.473 2.338 40 0 EEABRN CCn1nc(C)cc1C(=O)N1CC2(C1)C[C@@H](OCC1CC1)CS2 ZINC000247812625 464708480 /nfs/dbraw/zinc/70/84/80/464708480.db2.gz ADYMFMBMCFZJBB-CQSZACIVSA-N 0 0 335.473 2.338 40 0 EEABRN O=C([C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21)N1CCC1 ZINC000247892463 464713010 /nfs/dbraw/zinc/71/30/10/464713010.db2.gz ZAPNUXVEMSZLLQ-IBGZPJMESA-N 0 0 347.422 2.221 40 0 EEABRN Cc1nc(CO[C@H]2CCOC3(CN(c4ncccn4)C3)C2)cs1 ZINC000248010855 464722518 /nfs/dbraw/zinc/72/25/18/464722518.db2.gz FYNIZPTUYPUPGJ-AWEZNQCLSA-N 0 0 332.429 2.196 40 0 EEABRN COC(=O)[C@@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C[C@H]1C ZINC000190952895 464750073 /nfs/dbraw/zinc/75/00/73/464750073.db2.gz NUNZBGYLEBETRT-BXUZGUMPSA-N 0 0 340.370 2.348 40 0 EEABRN Cn1cc([C@H]2CSCCN2Cc2ncn(-c3ccccc3)n2)cn1 ZINC000191221018 464800894 /nfs/dbraw/zinc/80/08/94/464800894.db2.gz XLAOJBYGTLATPD-MRXNPFEDSA-N 0 0 340.456 2.291 40 0 EEABRN Cc1csc(CCCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000252494964 464968235 /nfs/dbraw/zinc/96/82/35/464968235.db2.gz OJHAGRSHWIJLFD-SNVBAGLBSA-N 0 0 349.378 2.054 40 0 EEABRN CC[C@@](O)(CNC(=O)C1(O)CCC1)c1ccc(Br)cc1 ZINC000184364053 464969534 /nfs/dbraw/zinc/96/95/34/464969534.db2.gz NIWUQDBOKGKZLJ-CQSZACIVSA-N 0 0 342.233 2.078 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1F ZINC000253389179 464997383 /nfs/dbraw/zinc/99/73/83/464997383.db2.gz BOUUJIHMHKDMSE-HACGYAERSA-N 0 0 334.391 2.030 40 0 EEABRN COc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000253416439 465004260 /nfs/dbraw/zinc/00/42/60/465004260.db2.gz CRIYXJNIIAZOIW-NSHDSACASA-N 0 0 347.806 2.389 40 0 EEABRN CCn1cnc2c1ncnc2N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253415583 465005094 /nfs/dbraw/zinc/00/50/94/465005094.db2.gz ZUQRBQPYTOMNLZ-FZMZJTMJSA-N 0 0 345.353 2.437 40 0 EEABRN CCNC(=O)c1ccc(NC(=O)N[C@H]2CCc3c[nH]nc3C2)c(C)c1 ZINC000253431578 465014580 /nfs/dbraw/zinc/01/45/80/465014580.db2.gz SIMLVUFSWGAXNI-AWEZNQCLSA-N 0 0 341.415 2.147 40 0 EEABRN CCS(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@H]2C1 ZINC000253494166 465017239 /nfs/dbraw/zinc/01/72/39/465017239.db2.gz WPZKDGBMMCTGQG-VBNZEHGJSA-N 0 0 327.421 2.095 40 0 EEABRN CC(=O)c1c(C)cc(C)c(CN2CCO[C@@H](Cn3cncn3)C2)c1C ZINC000331743302 466227025 /nfs/dbraw/zinc/22/70/25/466227025.db2.gz WUEOFTCQVFCTSX-QGZVFWFLSA-N 0 0 342.443 2.307 40 0 EEABRN CC(C)CCN1C[C@@]2(F)C(=O)N(CC3CCOCC3)C[C@@]2(F)C1 ZINC000306128379 466489186 /nfs/dbraw/zinc/48/91/86/466489186.db2.gz GYZCZXBIOIWVMC-DLBZAZTESA-N 0 0 330.419 2.034 40 0 EEABRN O=C(C1=CCCC1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000306143516 466494525 /nfs/dbraw/zinc/49/45/25/466494525.db2.gz YEKOQXGVZXIRHN-KRWDZBQOSA-N 0 0 335.444 2.300 40 0 EEABRN CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000409003432 466684572 /nfs/dbraw/zinc/68/45/72/466684572.db2.gz GECKCBHZFFTSOQ-UHFFFAOYSA-N 0 0 338.473 2.455 40 0 EEABRN Cc1nn(C)c2sc(C(=O)N3CCC[C@@H](C4N=NC(=O)O4)C3)cc12 ZINC000407994154 467491371 /nfs/dbraw/zinc/49/13/71/467491371.db2.gz AXBUFALTRHZSAJ-SECBINFHSA-N 0 0 347.400 2.052 40 0 EEABRN CCC(CC)C(=O)N1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514289772 467941820 /nfs/dbraw/zinc/94/18/20/467941820.db2.gz ODVXPGDDEIVLSJ-ZBFHGGJFSA-N 0 0 334.391 2.306 40 0 biogenic,in-vitro EEABRN COCC[C@H]1Cn2cccc2CN(C(=O)c2cccnc2OC)C1 ZINC000585095587 468964603 /nfs/dbraw/zinc/96/46/03/468964603.db2.gz ZGRBXNJZZSFYBL-AWEZNQCLSA-N 0 0 329.400 2.200 40 0 EEABRN Cc1ncc(CN2CC[C@]23CCCN(C(=O)[C@@H]2CCCO2)C3)s1 ZINC000585101852 468968898 /nfs/dbraw/zinc/96/88/98/468968898.db2.gz IZTYWGHSDCZWBA-RDJZCZTQSA-N 0 0 335.473 2.197 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCOc1ccccn1)N1CCCC1 ZINC000585102956 468970279 /nfs/dbraw/zinc/97/02/79/468970279.db2.gz MDIYXTSIIMAEDG-HNNXBMFYSA-N 0 0 331.416 2.157 40 0 EEABRN Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccnc(F)c4)C[C@@H]3C2)cs1 ZINC000585107573 468971562 /nfs/dbraw/zinc/97/15/62/468971562.db2.gz FEFSUJGETAGSEI-OKILXGFUSA-N 0 0 346.431 2.190 40 0 EEABRN Cc1noc(CC(=O)N2CCc3ncnc(-c4ccccc4)c3CC2)n1 ZINC000585110516 468973839 /nfs/dbraw/zinc/97/38/39/468973839.db2.gz WZEDZKWOXPDQIS-UHFFFAOYSA-N 0 0 349.394 2.005 40 0 EEABRN CC(C)N1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112996 468976107 /nfs/dbraw/zinc/97/61/07/468976107.db2.gz ZRIFPFHINBGBTE-INIZCTEOSA-N 0 0 348.472 2.017 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(Cc3ncccc3C)C2)c1 ZINC000585269530 468996827 /nfs/dbraw/zinc/99/68/27/468996827.db2.gz YAWOTOJMSQZKJB-HXUWFJFHSA-N 0 0 342.439 2.341 40 0 EEABRN Cc1cccc(OC[C@]2(O)COCCN(Cc3ccccn3)C2)c1 ZINC000585268916 468997690 /nfs/dbraw/zinc/99/76/90/468997690.db2.gz DLTXOWVRRWICMO-LJQANCHMSA-N 0 0 328.412 2.032 40 0 EEABRN O=C(Cc1cccnc1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585279280 469004365 /nfs/dbraw/zinc/00/43/65/469004365.db2.gz YUPXSXGRDYPMDL-ROUUACIJSA-N 0 0 328.387 2.358 40 0 EEABRN CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccc(C)c(F)c2)C1 ZINC000585278953 469005295 /nfs/dbraw/zinc/00/52/95/469005295.db2.gz XCJRRFNIJRRRNH-SFHVURJKSA-N 0 0 336.407 2.282 40 0 EEABRN CO[C@H]1[C@H](C(=O)NC2(c3ccccc3F)CC2)CC[C@H]1N(C)C(C)=O ZINC000585280377 469007193 /nfs/dbraw/zinc/00/71/93/469007193.db2.gz GMMYIRCVQRZUCI-XYPHTWIQSA-N 0 0 348.418 2.203 40 0 EEABRN COCc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000223861985 490700232 /nfs/dbraw/zinc/70/02/32/490700232.db2.gz KUDZEMAZWCYRIK-UHFFFAOYSA-N 0 0 348.424 2.481 40 0 EEABRN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000000379525 533983942 /nfs/dbraw/zinc/98/39/42/533983942.db2.gz UDUKPLSHNIGXPG-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccccc1 ZINC000408653586 534603302 /nfs/dbraw/zinc/60/33/02/534603302.db2.gz IPNHNZXQPCQVMP-AWEZNQCLSA-N 0 0 344.411 2.350 40 0 EEABRN CC(=O)Nc1ccc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000253473312 534723665 /nfs/dbraw/zinc/72/36/65/534723665.db2.gz UCURZXNGOCNLSB-MRXNPFEDSA-N 0 0 339.399 2.201 40 0 EEABRN Fc1cccnc1OC[C@H]1CCOC12CN(Cc1cccnc1)C2 ZINC000247507632 526419843 /nfs/dbraw/zinc/41/98/43/526419843.db2.gz HJLPBOFMIYMYHO-OAHLLOKOSA-N 0 0 329.375 2.286 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCCc1cccc(C)c1)CC2 ZINC000162670972 527852693 /nfs/dbraw/zinc/85/26/93/527852693.db2.gz YRMODROWOSQCGE-QZTJIDSGSA-N 0 0 346.471 2.499 40 0 EEABRN Cn1nc(C(F)(F)F)cc1CS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000899502435 693767345 /nfs/dbraw/zinc/76/73/45/693767345.db2.gz OPNBGCLZWQLCHG-UHFFFAOYSA-N 0 0 346.330 2.348 40 0 EEABRN Cn1cc([C@@]2(CNC(=O)N3CCc4ccccc43)CCCO2)cn1 ZINC000929168557 1206453149 /nfs/dbraw/zinc/45/31/49/1206453149.db2.gz LRDPWDREDDHCPK-SFHVURJKSA-N 0 0 326.400 2.198 40 0 EEABRN CCn1cnc2c1CCN(C(=O)Nc1cc([C@@H]3CCCO3)nn1C)C2 ZINC000931138549 1206610038 /nfs/dbraw/zinc/61/00/38/1206610038.db2.gz KYIBVSKUDLUQBN-HNNXBMFYSA-N 0 0 344.419 2.078 40 0 EEABRN COc1ncc(C)cc1NC(=O)N[C@@H]1CCC[C@@H]1Oc1cnn(C)c1 ZINC001548448992 1124292561 /nfs/dbraw/zinc/29/25/61/1124292561.db2.gz CFFFZYREBKBJDN-HIFRSBDPSA-N 0 0 345.403 2.254 40 0 EEABRN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cnc(-c2ccccc2)nc1 ZINC000056044446 214354375 /nfs/dbraw/zinc/35/43/75/214354375.db2.gz WGTKRDMLOSVHHD-CQSZACIVSA-N 0 0 340.408 2.109 40 0 EEABRN O=C(N1CCCC1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000097953592 219065155 /nfs/dbraw/zinc/06/51/55/219065155.db2.gz WVBQKJYECCDZFX-IKGGRYGDSA-N 0 0 331.416 2.046 40 0 EEABRN Cc1ncsc1CN1CC2(C1)C[C@@H](Oc1cncc(C)n1)CCO2 ZINC000253601261 282232839 /nfs/dbraw/zinc/23/28/39/282232839.db2.gz NPNOHMKUBCULTI-AWEZNQCLSA-N 0 0 346.456 2.362 40 0 EEABRN CN(Cc1cc(Br)cn1C)C(=O)NO[C@H]1CCCCO1 ZINC000166943438 529975867 /nfs/dbraw/zinc/97/58/67/529975867.db2.gz KHGXFZUPVCLDCR-LBPRGKRZSA-N 0 0 346.225 2.387 40 0 EEABRN CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000047196710 213835321 /nfs/dbraw/zinc/83/53/21/213835321.db2.gz PUPNEARIIQLGOF-CQSZACIVSA-N 0 0 337.379 2.271 40 0 EEABRN COc1ccc2c(CC(=O)NC3CCN(C(C)=O)CC3)coc2c1 ZINC000044869605 213655245 /nfs/dbraw/zinc/65/52/45/213655245.db2.gz DBQOJBNDXKCTHB-UHFFFAOYSA-N 0 0 330.384 2.111 40 0 EEABRN COC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000102811990 219232097 /nfs/dbraw/zinc/23/20/97/219232097.db2.gz YRJKFBGFNIASNU-LEWSCRJBSA-N 0 0 334.368 2.255 40 0 EEABRN Cc1cccc(C)c1OCC(=O)OCCNC(=O)c1ccncc1 ZINC000002679827 209890904 /nfs/dbraw/zinc/89/09/04/209890904.db2.gz HZYUJRAWDICOIH-UHFFFAOYSA-N 0 0 328.368 2.050 40 0 EEABRN Cc1cc(NC(=O)C2CCN(C(=O)c3csnc3C)CC2)no1 ZINC000179679283 233313278 /nfs/dbraw/zinc/31/32/78/233313278.db2.gz RCAFOBKNPJKMDE-UHFFFAOYSA-N 0 0 334.401 2.239 40 0 EEABRN O=C(NCCCO)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002271015 209835498 /nfs/dbraw/zinc/83/54/98/209835498.db2.gz CSVMEGNMQSNGAY-GHRIWEEISA-N 0 0 342.370 2.095 40 0 EEABRN CN(Cc1ccco1)C(=O)c1cc(NC(=O)c2ccco2)n(C)n1 ZINC000040745760 213382509 /nfs/dbraw/zinc/38/25/09/213382509.db2.gz DNVGKNGPJUPZJV-UHFFFAOYSA-N 0 0 328.328 2.131 40 0 EEABRN COc1cc(C(=O)N(C)C2CCCC2)cc(Cl)c1OCC(N)=O ZINC000040485256 213316671 /nfs/dbraw/zinc/31/66/71/213316671.db2.gz SCEPFVMFILOTLH-UHFFFAOYSA-N 0 0 340.807 2.227 40 0 EEABRN COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c(Cl)c(C)nn21 ZINC000036615723 213102801 /nfs/dbraw/zinc/10/28/01/213102801.db2.gz PWVZQTIREXPJJE-UHFFFAOYSA-N 0 0 333.779 2.495 40 0 EEABRN C[C@H]1CCSCCN1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000189639499 237097796 /nfs/dbraw/zinc/09/77/96/237097796.db2.gz ZRJIEFAXYHCWQH-VIFPVBQESA-N 0 0 336.383 2.476 40 0 EEABRN Cc1ccnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 ZINC000072241564 216080264 /nfs/dbraw/zinc/08/02/64/216080264.db2.gz QHLGSPXNXCWPSJ-IAGOWNOFSA-N 0 0 343.358 2.066 40 0 EEABRN Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000072242125 216081229 /nfs/dbraw/zinc/08/12/29/216081229.db2.gz KBQKDORROBMMRA-YOEHRIQHSA-N 0 0 344.390 2.334 40 0 EEABRN CCn1nc(C)c2nnn(Cc3cccc(Br)c3)c(=O)c21 ZINC000072265377 216087500 /nfs/dbraw/zinc/08/75/00/216087500.db2.gz QBAKTNUNVRZELS-UHFFFAOYSA-N 0 0 348.204 2.127 40 0 EEABRN CCn1c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2oc1=O ZINC000072264786 216086257 /nfs/dbraw/zinc/08/62/57/216086257.db2.gz ZORNXEILGWNDDA-RYUDHWBXSA-N 0 0 338.429 2.281 40 0 EEABRN CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cn1nc(C)cc1C ZINC000072324384 216151592 /nfs/dbraw/zinc/15/15/92/216151592.db2.gz SYTBQHHNGAQYFX-CQSZACIVSA-N 0 0 342.399 2.003 40 0 EEABRN O=C(Cc1ccc(F)cc1)N1CCC(n2nnc3cccnc32)CC1 ZINC000072334615 216156178 /nfs/dbraw/zinc/15/61/78/216156178.db2.gz DMXABHFLSYDAJL-UHFFFAOYSA-N 0 0 339.374 2.372 40 0 EEABRN Cc1cc(CCC(N)=O)cc([C@@H]2CCCN2Cc2cnc(C)nc2)n1 ZINC000072367143 216172450 /nfs/dbraw/zinc/17/24/50/216172450.db2.gz MBQXVZOWNCBILN-SFHVURJKSA-N 0 0 339.443 2.243 40 0 EEABRN Cc1cc(N2CCC(c3cc(CCC(N)=O)cc(C)n3)CC2)ncn1 ZINC000072360513 216167853 /nfs/dbraw/zinc/16/78/53/216167853.db2.gz ZUZJEWOKHWSHIA-UHFFFAOYSA-N 0 0 339.443 2.290 40 0 EEABRN Nc1nc2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)ccc2s1 ZINC000072368305 216175302 /nfs/dbraw/zinc/17/53/02/216175302.db2.gz UHQSDAABCSOUQG-JTQLQIEISA-N 0 0 340.412 2.083 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3cncc(C)n3)C2)cc1 ZINC000072369427 216176257 /nfs/dbraw/zinc/17/62/57/216176257.db2.gz DTRBODHLFHPEGL-AWEZNQCLSA-N 0 0 347.440 2.362 40 0 EEABRN CC(=O)Nc1nc(C2CCN(C(=O)c3coc(C)n3)CC2)cs1 ZINC000072368601 216176382 /nfs/dbraw/zinc/17/63/82/216176382.db2.gz JEVOYAIXLAMIPI-UHFFFAOYSA-N 0 0 334.401 2.418 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)CC(C)C)C2 ZINC000072390833 216191646 /nfs/dbraw/zinc/19/16/46/216191646.db2.gz ZXFWINCINFFWON-MRXNPFEDSA-N 0 0 330.432 2.091 40 0 EEABRN Cc1ccc2cc3c(nc2c1C)OC(=O)N(CCN1CCOCC1)C3 ZINC000072396340 216192962 /nfs/dbraw/zinc/19/29/62/216192962.db2.gz POCWDGVSHDVODX-UHFFFAOYSA-N 0 0 341.411 2.498 40 0 EEABRN Cc1ccccc1Cc1noc(CN[C@H]2CCCC[C@H]2C(N)=O)n1 ZINC000131303782 223221188 /nfs/dbraw/zinc/22/11/88/223221188.db2.gz MUGIZWSRHHALTI-CABCVRRESA-N 0 0 328.416 2.103 40 0 EEABRN CCN(CC)C(=O)N1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000072903652 216326525 /nfs/dbraw/zinc/32/65/25/216326525.db2.gz YJQSRFRJKRDGRP-UHFFFAOYSA-N 0 0 328.416 2.159 40 0 EEABRN Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)COCO3)n1 ZINC000073702403 216415178 /nfs/dbraw/zinc/41/51/78/216415178.db2.gz LJVBJRJIMOQVJQ-GFCCVEGCSA-N 0 0 329.400 2.433 40 0 EEABRN C[C@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1C1CCOCC1 ZINC000253591318 291327545 /nfs/dbraw/zinc/32/75/45/291327545.db2.gz MCJZHQGTGLDVHE-ZDUSSCGKSA-N 0 0 332.448 2.111 40 0 EEABRN Cc1cccc(C)c1-n1nnnc1CSC[C@@H](O)C(F)(F)F ZINC000195578428 241024892 /nfs/dbraw/zinc/02/48/92/241024892.db2.gz QQYPQVYBLASBLX-SNVBAGLBSA-N 0 0 332.351 2.436 40 0 EEABRN Cc1cc(CNS(=O)(=O)c2cc(C)c(C)cc2C)nc(N(C)C)n1 ZINC000211103521 241079815 /nfs/dbraw/zinc/07/98/15/241079815.db2.gz CXGCODIVKUYKBB-UHFFFAOYSA-N 0 0 348.472 2.255 40 0 EEABRN CCCc1ccc(Cl)c(S(=O)(=O)N2CCCn3ncnc32)c1 ZINC000225434881 241860354 /nfs/dbraw/zinc/86/03/54/241860354.db2.gz SIWDCKBWDLGMIP-UHFFFAOYSA-N 0 0 340.836 2.483 40 0 EEABRN CN(c1ccc(CC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000225976905 242084515 /nfs/dbraw/zinc/08/45/15/242084515.db2.gz VPXDYKBMGPVREQ-UHFFFAOYSA-N 0 0 336.388 2.403 40 0 EEABRN Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccnc(C)n3)C2)cc1 ZINC000225745040 242014349 /nfs/dbraw/zinc/01/43/49/242014349.db2.gz KFYZPRWQNVSOGC-MRXNPFEDSA-N 0 0 339.399 2.086 40 0 EEABRN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000245312472 243103683 /nfs/dbraw/zinc/10/36/83/243103683.db2.gz JKPWCKDLGSDKQK-UEKVPHQBSA-N 0 0 327.421 2.246 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)C1 ZINC000252509714 243839458 /nfs/dbraw/zinc/83/94/58/243839458.db2.gz YTWBSQQKDBWBEN-IJLUTSLNSA-N 0 0 338.429 2.073 40 0 EEABRN C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1ccc(Br)cn1 ZINC000253429899 243977482 /nfs/dbraw/zinc/97/74/82/243977482.db2.gz VWFXEFJAUWOQNG-VWYCJHECSA-N 0 0 342.237 2.175 40 0 EEABRN NC(=O)CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000076988490 216830676 /nfs/dbraw/zinc/83/06/76/216830676.db2.gz KHKCJLWYRIWUPM-KRWDZBQOSA-N 0 0 329.444 2.305 40 0 EEABRN COCCC(=O)N1CCC[C@H]1c1cccc(-c2cnc(C)n2C)n1 ZINC000257210047 244146339 /nfs/dbraw/zinc/14/63/39/244146339.db2.gz BSXNVOWEQJCOJD-INIZCTEOSA-N 0 0 328.416 2.491 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257210292 244146680 /nfs/dbraw/zinc/14/66/80/244146680.db2.gz BTZLISDDEZZEGC-ZDUSSCGKSA-N 0 0 330.388 2.126 40 0 EEABRN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H]1c1ccnc(=O)[nH]1 ZINC000257218833 244176854 /nfs/dbraw/zinc/17/68/54/244176854.db2.gz DEOGCGGVPCAVSL-AWEZNQCLSA-N 0 0 329.404 2.499 40 0 EEABRN Nc1nccnc1[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)CCO1 ZINC000257215757 244166906 /nfs/dbraw/zinc/16/69/06/244166906.db2.gz CRMRICLXYCRRKW-QGZVFWFLSA-N 0 0 348.406 2.355 40 0 EEABRN O=C(Cc1ccc(F)cc1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257216043 244168316 /nfs/dbraw/zinc/16/83/16/244168316.db2.gz CSVZPJFSMPIHOQ-AWEZNQCLSA-N 0 0 329.375 2.369 40 0 EEABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2scnc2C)ccn1 ZINC000257223225 244190650 /nfs/dbraw/zinc/19/06/50/244190650.db2.gz DWLGBUUAFHHPPE-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1ccnc([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000257225036 244197757 /nfs/dbraw/zinc/19/77/57/244197757.db2.gz FENJIZUVQCDRRU-ZDUSSCGKSA-N 0 0 325.368 2.186 40 0 EEABRN Cc1csc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)c1 ZINC000257229208 244206870 /nfs/dbraw/zinc/20/68/70/244206870.db2.gz FXEGPABIXUFZTN-QGZVFWFLSA-N 0 0 349.431 2.352 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cccnc1 ZINC000257231773 244217082 /nfs/dbraw/zinc/21/70/82/244217082.db2.gz GIDCVXXVXGPTNB-SFHVURJKSA-N 0 0 325.412 2.496 40 0 EEABRN Cc1cc(C)n(CC(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)n1 ZINC000257246133 244258313 /nfs/dbraw/zinc/25/83/13/244258313.db2.gz ISPOZYWMVRZVRX-QGZVFWFLSA-N 0 0 335.411 2.480 40 0 EEABRN Cc1nc(C)c(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)s1 ZINC000257245172 244254768 /nfs/dbraw/zinc/25/47/68/244254768.db2.gz IOIYTSNBGPXUGG-HNNXBMFYSA-N 0 0 346.456 2.332 40 0 EEABRN c1cnc(Nc2nccnc2[C@H]2CCCN(c3ccncn3)C2)cn1 ZINC000257247581 244261734 /nfs/dbraw/zinc/26/17/34/244261734.db2.gz IZOICXHSVCKSBC-ZDUSSCGKSA-N 0 0 334.387 2.184 40 0 EEABRN O=C(c1ncc[nH]1)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257249614 244265043 /nfs/dbraw/zinc/26/50/43/244265043.db2.gz JJBWLSAWYFPICN-YJBOKZPZSA-N 0 0 327.384 2.000 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257259011 244290190 /nfs/dbraw/zinc/29/01/90/244290190.db2.gz KWKVMSRZHFOBLS-QGZVFWFLSA-N 0 0 326.396 2.381 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2sccc2C)n1 ZINC000257265438 244361018 /nfs/dbraw/zinc/36/10/18/244361018.db2.gz LYQOZQMYOIATTE-OAHLLOKOSA-N 0 0 344.440 2.460 40 0 EEABRN CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccc(F)cc2)CC1 ZINC000020035899 212096435 /nfs/dbraw/zinc/09/64/35/212096435.db2.gz JLTQDBHLKZLNOH-OAHLLOKOSA-N 0 0 338.379 2.284 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)ccn1 ZINC000257277909 244397718 /nfs/dbraw/zinc/39/77/18/244397718.db2.gz NZZWKMSZWJAJFI-QGZVFWFLSA-N 0 0 349.394 2.184 40 0 EEABRN CC(=O)N1CC2(CCN(Cc3nccs3)CC2)C[C@H](O)C1(C)C ZINC000257288341 244426444 /nfs/dbraw/zinc/42/64/44/244426444.db2.gz PTVGPDOLTAXBJY-AWEZNQCLSA-N 0 0 337.489 2.117 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC3(CC2)CC=CCOC3)cc1 ZINC000257320259 244515461 /nfs/dbraw/zinc/51/54/61/244515461.db2.gz VVYSUYQKYOONII-UHFFFAOYSA-N 0 0 337.441 2.443 40 0 EEABRN Cc1cc2nccc(C3CCN(C(=O)c4ncoc4C)CC3)n2n1 ZINC000257342092 244575452 /nfs/dbraw/zinc/57/54/52/244575452.db2.gz ZNBUVJOVWUHSKY-UHFFFAOYSA-N 0 0 325.372 2.354 40 0 EEABRN CC(C)c1ncc(CN2CCO[C@@H](C(=O)N3CCCCCC3)C2)cn1 ZINC000019747205 212061367 /nfs/dbraw/zinc/06/13/67/212061367.db2.gz ONZYSBFRSDIJPG-QGZVFWFLSA-N 0 0 346.475 2.203 40 0 EEABRN COCCN1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000019593410 212049967 /nfs/dbraw/zinc/04/99/67/212049967.db2.gz KYGSMTBVYQEHGG-UHFFFAOYSA-N 0 0 349.818 2.399 40 0 EEABRN COc1ccccc1-c1cc(C(=O)N(C)Cc2nonc2C)[nH]n1 ZINC000019559136 212042150 /nfs/dbraw/zinc/04/21/50/212042150.db2.gz OBDWIDOQMIKOQJ-UHFFFAOYSA-N 0 0 327.344 2.049 40 0 EEABRN CCc1c(C)nc([C@@H]2CCCN2C(=O)c2scnc2C)[nH]c1=O ZINC000019521586 212036853 /nfs/dbraw/zinc/03/68/53/212036853.db2.gz IXSHHLADYSMUOK-LBPRGKRZSA-N 0 0 332.429 2.383 40 0 EEABRN CCc1nnsc1C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000019521900 212036371 /nfs/dbraw/zinc/03/63/71/212036371.db2.gz FEPXNZIKSQYTJZ-ZDUSSCGKSA-N 0 0 345.403 2.493 40 0 EEABRN CC(C)Nc1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000019450233 212028603 /nfs/dbraw/zinc/02/86/03/212028603.db2.gz FRFNDEYOTWIYPC-CQSZACIVSA-N 0 0 326.400 2.106 40 0 EEABRN Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@@H](C)N1CCOCC1)C3 ZINC000019236548 212006641 /nfs/dbraw/zinc/00/66/41/212006641.db2.gz UIFUBRYQDMBJGS-CQSZACIVSA-N 0 0 327.428 2.082 40 0 EEABRN O=C(NC1CC1)[C@H]1CCCN1c1nnc(Cc2ccccc2)s1 ZINC000134895951 223532123 /nfs/dbraw/zinc/53/21/23/223532123.db2.gz JTWILYRKRQSNPR-CQSZACIVSA-N 0 0 328.441 2.376 40 0 EEABRN COCCNc1nnc(S(=O)(=O)Cc2cc(C)cc(C)c2)s1 ZINC000078554150 217075183 /nfs/dbraw/zinc/07/51/83/217075183.db2.gz CXOKMZNMKDMNDP-UHFFFAOYSA-N 0 0 341.458 2.187 40 0 EEABRN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000078653367 217095856 /nfs/dbraw/zinc/09/58/56/217095856.db2.gz USOLSTYBERENAU-LYSPQLLHSA-N 0 0 348.419 2.350 40 0 EEABRN CCOC1CCN(C(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CC1 ZINC000078663622 217098173 /nfs/dbraw/zinc/09/81/73/217098173.db2.gz AEBGTXGPWXCHHS-HNNXBMFYSA-N 0 0 335.452 2.132 40 0 EEABRN NC(=O)c1ccccc1COC(=O)c1ccn(-c2ccccc2F)n1 ZINC000078768667 217116017 /nfs/dbraw/zinc/11/60/17/217116017.db2.gz IOIRKVSMAZRRTB-UHFFFAOYSA-N 0 0 339.326 2.467 40 0 EEABRN CCO[C@H]1C[C@@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000079350912 217212463 /nfs/dbraw/zinc/21/24/63/217212463.db2.gz JWIWLNQNHUSQAJ-STQMWFEESA-N 0 0 335.791 2.474 40 0 EEABRN Cc1ccsc1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000079359470 217214807 /nfs/dbraw/zinc/21/48/07/217214807.db2.gz PRTMMJHAGHPBPR-CJNGLKHVSA-N 0 0 346.456 2.016 40 0 EEABRN CCN(C[C@H]1CCC[N@H+](CC(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC000079413811 217221576 /nfs/dbraw/zinc/22/15/76/217221576.db2.gz RPRTXSCVTSGCJC-INIZCTEOSA-N 0 0 334.416 2.442 40 0 EEABRN COc1c(Br)c(C)sc1C(=O)NCc1nccn1C ZINC000080006220 217270960 /nfs/dbraw/zinc/27/09/60/217270960.db2.gz OEXQHXMSGPBOSB-UHFFFAOYSA-N 0 0 344.234 2.491 40 0 EEABRN CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1(C)C ZINC000081067505 217358077 /nfs/dbraw/zinc/35/80/77/217358077.db2.gz JXKRHTZTNJLOSX-DYVFJYSZSA-N 0 0 333.388 2.457 40 0 EEABRN Cc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)no2)cn1 ZINC000013227816 211537016 /nfs/dbraw/zinc/53/70/16/211537016.db2.gz ACBGHBGERPIOGM-GXFFZTMASA-N 0 0 327.388 2.197 40 0 EEABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC2(CC1)CC=CCOC2 ZINC000257295796 284640127 /nfs/dbraw/zinc/64/01/27/284640127.db2.gz QZXFLTTXJNVOJU-UHFFFAOYSA-N 0 0 338.411 2.466 40 0 EEABRN Cc1ccn(CCNC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)n1 ZINC000012199078 211319244 /nfs/dbraw/zinc/31/92/44/211319244.db2.gz HOPREKFTPMIPCZ-KRWDZBQOSA-N 0 0 330.363 2.030 40 0 EEABRN C[C@H](Cn1nnc2ccccc21)NC(=O)CCn1cnc2ccccc21 ZINC000012117667 211298473 /nfs/dbraw/zinc/29/84/73/211298473.db2.gz NELDBRIDWSMWTF-CQSZACIVSA-N 0 0 348.410 2.376 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)NCCc2ccccc2)c1=O ZINC000012117580 211297285 /nfs/dbraw/zinc/29/72/85/211297285.db2.gz JMUAKVHLBZSUAM-UHFFFAOYSA-N 0 0 338.411 2.138 40 0 EEABRN CC(C)n1c2ncccc2n(CC(=O)N[C@H]2CCCC[C@H]2C)c1=O ZINC000012117525 211296574 /nfs/dbraw/zinc/29/65/74/211296574.db2.gz FFTPDOLWVFEUJO-KGLIPLIRSA-N 0 0 330.432 2.474 40 0 EEABRN O=C([C@@H]1CCCO1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012117180 211295242 /nfs/dbraw/zinc/29/52/42/211295242.db2.gz LVRRPCFGMWRMTO-WBVHZDCISA-N 0 0 338.411 2.424 40 0 EEABRN COCCNc1c(-c2ccc(OC)cc2OC)nc2cnccn21 ZINC000012113801 211293375 /nfs/dbraw/zinc/29/33/75/211293375.db2.gz LGXMUEMZPLAQGC-UHFFFAOYSA-N 0 0 328.372 2.472 40 0 EEABRN Cc1nn(Cn2nnc3ccccc32)c(=O)c2cc3ccsc3n21 ZINC000012114197 211292261 /nfs/dbraw/zinc/29/22/61/211292261.db2.gz ZYFJDMCTCAQLMC-UHFFFAOYSA-N 0 0 336.380 2.270 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3CC[C@H](Oc4ccccc4)[C@@H]3C2)[nH]c(=O)n1 ZINC000257261421 291741104 /nfs/dbraw/zinc/74/11/04/291741104.db2.gz LHFKLFWXFGNHQD-LXZKKBNFSA-N 0 0 339.395 2.420 40 0 EEABRN COC(=O)[C@@H](NC(=O)c1cncc(Br)c1)C(C)(C)C ZINC000095960750 218465993 /nfs/dbraw/zinc/46/59/93/218465993.db2.gz GDBBWKPRNNYSME-SNVBAGLBSA-N 0 0 329.194 2.162 40 0 EEABRN O=C(COc1ccccc1)N1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255506 218724552 /nfs/dbraw/zinc/72/45/52/218724552.db2.gz CMSFGAZLOZRWCD-UHFFFAOYSA-N 0 0 338.411 2.057 40 0 EEABRN CC(C)NC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000096240772 218714120 /nfs/dbraw/zinc/71/41/20/218714120.db2.gz YKRGQPNGMQPBHG-CYBMUJFWSA-N 0 0 336.457 2.142 40 0 EEABRN O=C(NCc1cccc(-n2cccn2)c1)C(=O)Nc1ccccc1F ZINC000096409735 218763069 /nfs/dbraw/zinc/76/30/69/218763069.db2.gz PHGGWFZNUAGVNR-UHFFFAOYSA-N 0 0 338.342 2.266 40 0 EEABRN Cc1cc(C)c(N2CC[C@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)c(C)c1 ZINC000253429821 291810020 /nfs/dbraw/zinc/81/00/20/291810020.db2.gz DJQYENVTVAGVPT-CABCVRRESA-N 0 0 341.411 2.144 40 0 EEABRN c1ccc(-n2nnnc2CNc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000096417387 218779573 /nfs/dbraw/zinc/77/95/73/218779573.db2.gz GEZMUOPOKFWFRS-KRWDZBQOSA-N 0 0 337.383 2.442 40 0 EEABRN CC(C)N(CC(F)(F)F)C(=O)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000096428942 218802697 /nfs/dbraw/zinc/80/26/97/218802697.db2.gz NBSCOJYIQFMKBN-AWEZNQCLSA-N 0 0 336.354 2.207 40 0 EEABRN CC(C)COC(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000096489000 218865852 /nfs/dbraw/zinc/86/58/52/218865852.db2.gz VXDUXMSDNDYZBF-UHFFFAOYSA-N 0 0 332.326 2.410 40 0 EEABRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000096491871 218869314 /nfs/dbraw/zinc/86/93/14/218869314.db2.gz IRAMAXKRPNPHQO-LSDHHAIUSA-N 0 0 347.463 2.274 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000166137501 533066557 /nfs/dbraw/zinc/06/65/57/533066557.db2.gz PGUNSHRGGSNLHE-CQSZACIVSA-N 0 0 347.440 2.038 40 0 EEABRN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(c1ccccc1)S(C)(=O)=O ZINC000004904444 210318234 /nfs/dbraw/zinc/31/82/34/210318234.db2.gz AGHDITZFRBRKFB-GFCCVEGCSA-N 0 0 343.408 2.450 40 0 EEABRN COCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C ZINC000004878917 210309527 /nfs/dbraw/zinc/30/95/27/210309527.db2.gz LCSDNUGIEBQYTM-UHFFFAOYSA-N 0 0 326.466 2.199 40 0 EEABRN COC(=O)C1(CNC(=O)N2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000181807752 533198262 /nfs/dbraw/zinc/19/82/62/533198262.db2.gz PTSANXNTRNCPGK-INIZCTEOSA-N 0 0 346.427 2.155 40 0 EEABRN COC[C@@H]1CN(C(=O)c2cccn2C)Cc2c1cnn2CC1CC1 ZINC000096044590 285296341 /nfs/dbraw/zinc/29/63/41/285296341.db2.gz DWGTXKRIFFVJRH-AWEZNQCLSA-N 0 0 328.416 2.018 40 0 EEABRN COc1coc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cc1=O ZINC000282438187 257900029 /nfs/dbraw/zinc/90/00/29/257900029.db2.gz SCNXLYYXMMLKPF-JTQLQIEISA-N 0 0 337.759 2.499 40 0 EEABRN CCCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 ZINC000306129060 257918929 /nfs/dbraw/zinc/91/89/29/257918929.db2.gz HSXZUSIHEMOPHC-INIZCTEOSA-N 0 0 345.443 2.009 40 0 EEABRN CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N1CCOCC1 ZINC000176620104 258071840 /nfs/dbraw/zinc/07/18/40/258071840.db2.gz NTQDUMRVJCAQIB-DLBZAZTESA-N 0 0 345.443 2.171 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)c1ccsc1 ZINC000096473489 533284080 /nfs/dbraw/zinc/28/40/80/533284080.db2.gz CFQXNAIIXZRJRI-YPMHNXCESA-N 0 0 349.460 2.424 40 0 EEABRN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)C1CCOCC1 ZINC000013226872 292026537 /nfs/dbraw/zinc/02/65/37/292026537.db2.gz QEGZNEDMTSUABG-HIFRSBDPSA-N 0 0 326.400 2.053 40 0 EEABRN O=S(=O)(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000007357206 135679987 /nfs/dbraw/zinc/67/99/87/135679987.db2.gz HEEKJXMMRNGXDE-UHFFFAOYSA-N 0 0 332.425 2.465 40 0 EEABRN Cc1ccc([C@@]2(O)N=C3C=CC(C)=CN3[C@H]2CC(=O)N(C)C)cc1 ZINC000095864796 292239008 /nfs/dbraw/zinc/23/90/08/292239008.db2.gz VLHJPCWGOSLMQL-LPHOPBHVSA-N 0 0 325.412 2.175 40 0 EEABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccn2C)cc1 ZINC000257294597 286363577 /nfs/dbraw/zinc/36/35/77/286363577.db2.gz QUVOMKUYUQBFFJ-SFHVURJKSA-N 0 0 341.411 2.079 40 0 EEABRN C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1nc(C(F)(F)F)cs1 ZINC000278561055 274373267 /nfs/dbraw/zinc/37/32/67/274373267.db2.gz FLXBNCDMQOJPQJ-XHNCKOQMSA-N 0 0 335.351 2.459 40 0 EEABRN COC(=O)C1C(CN2CCCC2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029433 277051121 /nfs/dbraw/zinc/05/11/21/277051121.db2.gz UDFHWMCWLYJAAK-KRWDZBQOSA-N 0 0 343.427 2.180 40 0 EEABRN COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]21 ZINC000169304287 277141703 /nfs/dbraw/zinc/14/17/03/277141703.db2.gz PRQQFNDOCVAYKE-NGZCFLSTSA-N 0 0 349.389 2.163 40 0 EEABRN COC[C@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2nnn(CC3CC3)c21 ZINC000096045619 277267180 /nfs/dbraw/zinc/26/71/80/277267180.db2.gz CIBPPZXSWPYMHB-CQSZACIVSA-N 0 0 343.431 2.019 40 0 EEABRN Cc1cc(Br)cc2c1NC(=O)/C2=C1\SC(=N)NC1=O ZINC000096835944 280308769 /nfs/dbraw/zinc/30/87/69/280308769.db2.gz DRYWMIXIIQKDOA-CLFYSBASSA-N 0 0 338.186 2.218 40 0 EEABRN C[C@@H]1C[C@@H](NS(=O)(=O)CC[C@H]2CCCO2)CN1c1ccccc1 ZINC000247953613 288565230 /nfs/dbraw/zinc/56/52/30/288565230.db2.gz ZADVGQBFNDMESL-BFYDXBDKSA-N 0 0 338.473 2.142 40 0 EEABRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CC(C)(C)C)C1 ZINC000096244480 293289774 /nfs/dbraw/zinc/28/97/74/293289774.db2.gz LZTJCZLSAFAZHY-LJQANCHMSA-N 0 0 346.475 2.288 40 0 EEABRN Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1cscn1)CC2 ZINC000096083861 293293994 /nfs/dbraw/zinc/29/39/94/293293994.db2.gz ANGWRDYNMDXXMA-UHFFFAOYSA-N 0 0 343.456 2.083 40 0 EEABRN COC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597370 293297174 /nfs/dbraw/zinc/29/71/74/293297174.db2.gz NPBZAWBPJPJCOK-IKGGRYGDSA-N 0 0 335.400 2.109 40 0 EEABRN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(C2CC2)no1 ZINC000374136441 301320206 /nfs/dbraw/zinc/32/02/06/301320206.db2.gz LEPYBKJUEIZRDD-MRXNPFEDSA-N 0 0 343.358 2.313 40 0 EEABRN CN(C1CCCCC1)S(=O)(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000332433859 312006808 /nfs/dbraw/zinc/00/68/08/312006808.db2.gz FYCCALYZXFDGNK-AWEZNQCLSA-N 0 0 342.436 2.228 40 0 EEABRN O=C(N[C@H]1CC12CCOCC2)N[C@H]1CCN(c2ccccc2F)C1 ZINC000333497187 312156597 /nfs/dbraw/zinc/15/65/97/312156597.db2.gz JTXSUSOXLQUDII-BBRMVZONSA-N 0 0 333.407 2.273 40 0 EEABRN Cc1cc(=O)n2ccn([C@@H](C)C(=O)N3CCc4sccc4C3)c2n1 ZINC000333922063 312214391 /nfs/dbraw/zinc/21/43/91/312214391.db2.gz RBDHSWZSLMRIRR-LBPRGKRZSA-N 0 0 342.424 2.012 40 0 EEABRN CN(C)c1nc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)ns1 ZINC000097095939 323320252 /nfs/dbraw/zinc/32/02/52/323320252.db2.gz SYTVXOGRGBICBM-AWEZNQCLSA-N 0 0 346.456 2.078 40 0 EEABRN CN(CC(F)F)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000097238595 323321232 /nfs/dbraw/zinc/32/12/32/323321232.db2.gz MBKHDDWFULMWNF-UHFFFAOYSA-N 0 0 349.131 2.117 40 0 EEABRN CCCc1c(C(=O)NCc2noc(C)n2)cnn1-c1ccccc1 ZINC000097372349 323322452 /nfs/dbraw/zinc/32/24/52/323322452.db2.gz ZCJQGSRBIHWABN-UHFFFAOYSA-N 0 0 325.372 2.446 40 0 EEABRN Cn1nccc1CN[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000153706589 323330857 /nfs/dbraw/zinc/33/08/57/323330857.db2.gz UKCUUFGBMYMGEW-ZDUSSCGKSA-N 0 0 336.321 2.436 40 0 EEABRN O=C([C@@H]1CCn2cncc2C1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000328946539 465177540 /nfs/dbraw/zinc/17/75/40/465177540.db2.gz MHWQLBIYVWARHU-RISCZKNCSA-N 0 0 330.413 2.047 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000358678794 465259243 /nfs/dbraw/zinc/25/92/43/465259243.db2.gz KKNVQNOBMZKFAU-UHFFFAOYSA-N 0 0 342.351 2.069 40 0 EEABRN COC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3C)cc2)CC1 ZINC000044914695 462540509 /nfs/dbraw/zinc/54/05/09/462540509.db2.gz LMXZYKVYBZLPGZ-UHFFFAOYSA-N 0 0 341.411 2.265 40 0 EEABRN O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccco1 ZINC000085467396 462548574 /nfs/dbraw/zinc/54/85/74/462548574.db2.gz TTWLANCSPITLMN-HNNXBMFYSA-N 0 0 330.359 2.382 40 0 EEABRN O=C1C(Cl)(Cl)C(=O)C(Cl)(Cl)C(=O)C1(Cl)Cl ZINC000001737546 462586678 /nfs/dbraw/zinc/58/66/78/462586678.db2.gz VFACRHMTBJVISU-UHFFFAOYSA-N 0 0 332.781 2.229 40 0 EEABRN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccc(Cl)cc1 ZINC000002176598 462590225 /nfs/dbraw/zinc/59/02/25/462590225.db2.gz USPKYYZDABFFSZ-FYYZZUKCSA-N 0 0 342.782 2.038 40 0 EEABRN Cc1ccc(OCC(=O)OCCNC(=O)c2cccnc2)c(C)c1 ZINC000002679818 462599093 /nfs/dbraw/zinc/59/90/93/462599093.db2.gz LTLBVSPKVSFWPK-UHFFFAOYSA-N 0 0 328.368 2.050 40 0 EEABRN COc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c(C)nn1C ZINC000074455894 462602967 /nfs/dbraw/zinc/60/29/67/462602967.db2.gz OEHWCCKCWMXJIB-UHFFFAOYSA-N 0 0 348.350 2.485 40 0 EEABRN CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956737 462618759 /nfs/dbraw/zinc/61/87/59/462618759.db2.gz NBRICVVWTMAVBU-NXEZZACHSA-N 0 0 334.388 2.034 40 0 EEABRN COc1cccc(CNS(=O)(=O)c2cc(F)ccc2OC)c1 ZINC000113970075 462619616 /nfs/dbraw/zinc/61/96/16/462619616.db2.gz HSKYHJAPRZDXQW-UHFFFAOYSA-N 0 0 325.361 2.321 40 0 EEABRN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)n1 ZINC000046088651 462646680 /nfs/dbraw/zinc/64/66/80/462646680.db2.gz SDOSBZQTNUABGD-UHFFFAOYSA-N 0 0 328.372 2.248 40 0 EEABRN Cc1ccc(=O)n(CC(=O)Nc2cc(-c3ccccc3)ns2)n1 ZINC000074952491 462657982 /nfs/dbraw/zinc/65/79/82/462657982.db2.gz JGXCVUJNCHJZBZ-UHFFFAOYSA-N 0 0 326.381 2.314 40 0 EEABRN CCCc1nnc(SCC(=O)Nc2ccccc2OCC)n1N ZINC000005555205 462662554 /nfs/dbraw/zinc/66/25/54/462662554.db2.gz XGHJCUZGRHBHLE-UHFFFAOYSA-N 0 0 335.433 2.074 40 0 EEABRN NC(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(N)=O)c1 ZINC000005888738 462671429 /nfs/dbraw/zinc/67/14/29/462671429.db2.gz PGEAAZFPTUOZQS-UHFFFAOYSA-N 0 0 341.411 2.039 40 0 EEABRN CCN(CC)C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000006139156 462678433 /nfs/dbraw/zinc/67/84/33/462678433.db2.gz POFNDYBEQYSBSJ-UHFFFAOYSA-N 0 0 331.397 2.432 40 0 EEABRN O=C(CNC(=O)OCc1ccccc1)OCC(=O)c1ccc(F)cc1 ZINC000064210197 462689653 /nfs/dbraw/zinc/68/96/53/462689653.db2.gz VZXJYCWHRFQIMI-UHFFFAOYSA-N 0 0 345.326 2.478 40 0 EEABRN [NH3+][C@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000006574845 462690809 /nfs/dbraw/zinc/69/08/09/462690809.db2.gz VCCOYCCXZHRTFQ-OAHLLOKOSA-N 0 0 344.436 2.037 40 0 EEABRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000006648324 462694723 /nfs/dbraw/zinc/69/47/23/462694723.db2.gz OBHPZEFNBIBYMS-LCYFTJDESA-N 0 0 334.397 2.345 40 0 EEABRN CCOc1c(I)cc(C(=O)NC)cc1OC ZINC000006844592 462707463 /nfs/dbraw/zinc/70/74/63/462707463.db2.gz UWYIGMDYHCTLNG-UHFFFAOYSA-N 0 0 335.141 2.058 40 0 EEABRN COc1ccnc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000089987326 462761549 /nfs/dbraw/zinc/76/15/49/462761549.db2.gz WEGUIVIWCNOUOM-ZDUSSCGKSA-N 0 0 346.431 2.393 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000008240892 462773804 /nfs/dbraw/zinc/77/38/04/462773804.db2.gz XDNPKQPWSKZECJ-RQJABVFESA-N 0 0 326.437 2.052 40 0 EEABRN CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000008560260 462788491 /nfs/dbraw/zinc/78/84/91/462788491.db2.gz IQPHOUYNTMNVLH-LBPRGKRZSA-N 0 0 340.445 2.008 40 0 EEABRN Cc1c(F)cccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC(C)C ZINC000010128600 462813063 /nfs/dbraw/zinc/81/30/63/462813063.db2.gz MOJXCTLTZULSNI-DOMZBBRYSA-N 0 0 338.379 2.300 40 0 EEABRN O=S1(=O)CC[C@H](NC[C@H](O)c2ccco2)c2cc(Cl)ccc21 ZINC000155018294 462836893 /nfs/dbraw/zinc/83/68/93/462836893.db2.gz ISWJWOSSBHGOHK-STQMWFEESA-N 0 0 341.816 2.475 40 0 EEABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccccc2O)=NO1 ZINC000013123892 462885308 /nfs/dbraw/zinc/88/53/08/462885308.db2.gz GKTXSCBZJGVXRR-INIZCTEOSA-N 0 0 326.308 2.253 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013712937 462901567 /nfs/dbraw/zinc/90/15/67/462901567.db2.gz ZVCLCCSFVRGILZ-ZFWWWQNUSA-N 0 0 326.462 2.454 40 0 EEABRN CCn1c(=O)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000014162704 462914991 /nfs/dbraw/zinc/91/49/91/462914991.db2.gz PCIBZLLLRZBDSA-UHFFFAOYSA-N 0 0 341.436 2.330 40 0 EEABRN Cc1cc(Br)cc(C(=O)OC[C@H]2CCCN2C(N)=O)c1 ZINC000155972094 462964517 /nfs/dbraw/zinc/96/45/17/462964517.db2.gz CEMCYFJEELBHJP-GFCCVEGCSA-N 0 0 341.205 2.457 40 0 EEABRN COc1ccc(/C(=C\N2CCOCC2)C(=S)N2CCOCC2)cc1 ZINC000016215775 462971821 /nfs/dbraw/zinc/97/18/21/462971821.db2.gz OBOWGYKMGRGDJE-SAPNQHFASA-N 0 0 348.468 2.028 40 0 EEABRN CN1C(=O)CCc2cc(S(=O)(=O)NCc3ccccc3F)ccc21 ZINC000049649546 462972641 /nfs/dbraw/zinc/97/26/41/462972641.db2.gz NIYWRTOAXNCBRI-UHFFFAOYSA-N 0 0 348.399 2.213 40 0 EEABRN COc1cc(S(=O)(=O)n2ccc(C)n2)ccc1Br ZINC000016780766 462990251 /nfs/dbraw/zinc/99/02/51/462990251.db2.gz WVHXEZXOYHFHJN-UHFFFAOYSA-N 0 0 331.191 2.200 40 0 EEABRN CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000017055398 462993570 /nfs/dbraw/zinc/99/35/70/462993570.db2.gz SPFDNDWKLAYXSF-GFCCVEGCSA-N 0 0 344.502 2.310 40 0 EEABRN O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000019349358 463018165 /nfs/dbraw/zinc/01/81/65/463018165.db2.gz DFVNMYWYGYSXDR-UHFFFAOYSA-N 0 0 342.418 2.458 40 0 EEABRN Cc1cc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)[nH]n1 ZINC000067936377 463069099 /nfs/dbraw/zinc/06/90/99/463069099.db2.gz ZIEYRWZYQRSZDE-SECBINFHSA-N 0 0 344.198 2.195 40 0 EEABRN COc1ccc(NCc2nc([C@@H](N)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533686 463107563 /nfs/dbraw/zinc/10/75/63/463107563.db2.gz AUFDATNGWVHGED-KRWDZBQOSA-N 0 0 339.399 2.482 40 0 EEABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N2CCOCC2)cc1 ZINC000025501398 463127333 /nfs/dbraw/zinc/12/73/33/463127333.db2.gz WQQRDTGLSZXQJK-CQSZACIVSA-N 0 0 334.416 2.303 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039836 463145168 /nfs/dbraw/zinc/14/51/68/463145168.db2.gz ZSUJIFZEZXIXMV-IEBWSBKVSA-N 0 0 332.444 2.463 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041793 463146374 /nfs/dbraw/zinc/14/63/74/463146374.db2.gz ACMKWILPTXUUFD-CGTJXYLNSA-N 0 0 341.411 2.009 40 0 EEABRN O=C(C1=CCCC1)N1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC000096041663 463146681 /nfs/dbraw/zinc/14/66/81/463146681.db2.gz ZBUZMRIDTHXSKT-RCCFBDPRSA-N 0 0 335.444 2.298 40 0 EEABRN c1ccc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096042207 463147499 /nfs/dbraw/zinc/14/74/99/463147499.db2.gz KLUWYJKCWUYDKA-GBESFXJTSA-N 0 0 325.412 2.425 40 0 EEABRN COCC(=O)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096047305 463150786 /nfs/dbraw/zinc/15/07/86/463150786.db2.gz ULHXGHPTGFXIBI-UHFFFAOYSA-N 0 0 336.457 2.239 40 0 EEABRN Cc1ccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)nn1 ZINC000096048452 463151161 /nfs/dbraw/zinc/15/11/61/463151161.db2.gz WRMQNZQVDWCEFL-PBHICJAKSA-N 0 0 345.472 2.477 40 0 EEABRN Cc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)o1 ZINC000096052066 463154577 /nfs/dbraw/zinc/15/45/77/463154577.db2.gz OACJGUNKKLGUIH-SJLPKXTDSA-N 0 0 331.416 2.092 40 0 EEABRN Cc1nc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)cs1 ZINC000096058644 463160190 /nfs/dbraw/zinc/16/01/90/463160190.db2.gz LZWAQVDPXLWZFI-ZDUSSCGKSA-N 0 0 330.457 2.346 40 0 EEABRN c1cc(COC[C@]23CCCO[C@H]2CCN(c2ccncn2)C3)ccn1 ZINC000096065143 463163844 /nfs/dbraw/zinc/16/38/44/463163844.db2.gz PKAGMTBEMFIRIC-PKOBYXMFSA-N 0 0 340.427 2.464 40 0 EEABRN C[C@]1(O)CC[C@@H](C(=O)NCc2ccc(F)cc2)N(Cc2ccoc2)C1 ZINC000096070424 463165904 /nfs/dbraw/zinc/16/59/04/463165904.db2.gz ITAHIHMKQGNRIM-HKUYNNGSSA-N 0 0 346.402 2.451 40 0 EEABRN Fc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccncc2)c1 ZINC000096081741 463170807 /nfs/dbraw/zinc/17/08/07/463170807.db2.gz MYOVADQZSHFFFK-MOPGFXCFSA-N 0 0 327.403 2.306 40 0 EEABRN Cc1cccc(CS(=O)(=O)NCc2nn(C)c3c2CCCC3)c1 ZINC000096099167 463172381 /nfs/dbraw/zinc/17/23/81/463172381.db2.gz MYVZDMKFFPFTMD-UHFFFAOYSA-N 0 0 333.457 2.227 40 0 EEABRN Cc1cc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)no1 ZINC000096108890 463176625 /nfs/dbraw/zinc/17/66/25/463176625.db2.gz SIOXDPIVXBAQLE-SJLPKXTDSA-N 0 0 329.400 2.043 40 0 EEABRN CCOCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C ZINC000096109675 463178660 /nfs/dbraw/zinc/17/86/60/463178660.db2.gz NKVOHIKDDGNJGP-LBPRGKRZSA-N 0 0 343.383 2.365 40 0 EEABRN Cc1ccc(CCC(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1F ZINC000096122011 463181864 /nfs/dbraw/zinc/18/18/64/463181864.db2.gz JFWRHMZCFUSVNR-UHFFFAOYSA-N 0 0 341.448 2.348 40 0 EEABRN O=C(CC(F)(F)F)N1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC000096161438 463192331 /nfs/dbraw/zinc/19/23/31/463192331.db2.gz AXIICCZHRTUURL-SWLSCSKDSA-N 0 0 326.318 2.071 40 0 EEABRN Cc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)cn3)OCC(=O)N2C)cc1 ZINC000096181490 463194617 /nfs/dbraw/zinc/19/46/17/463194617.db2.gz SXVWRWRPPCHEDG-ZWKOTPCHSA-N 0 0 339.395 2.235 40 0 EEABRN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135760438 463196388 /nfs/dbraw/zinc/19/63/88/463196388.db2.gz VYKCQKXSVLXOJQ-JSGCOSHPSA-N 0 0 331.420 2.354 40 0 EEABRN CCN1CC2(CCN(C(=O)c3cccc(C)c3)CC2)[C@@H](COC)C1=O ZINC000096209173 463211433 /nfs/dbraw/zinc/21/14/33/463211433.db2.gz PTSPWGRAFSPTRZ-KRWDZBQOSA-N 0 0 344.455 2.342 40 0 EEABRN Cc1ccc(CN2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)o1 ZINC000096253329 463228376 /nfs/dbraw/zinc/22/83/76/463228376.db2.gz QTCAWISYBFNHTK-IXDOHACOSA-N 0 0 327.384 2.211 40 0 EEABRN O=C(Nc1ccccc1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 ZINC000096253412 463228502 /nfs/dbraw/zinc/22/85/02/463228502.db2.gz VZULGBSOXKJCJJ-IXDOHACOSA-N 0 0 343.427 2.367 40 0 EEABRN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc(SC)o1 ZINC000096405694 463239337 /nfs/dbraw/zinc/23/93/37/463239337.db2.gz IZHPXBWCYFSWRS-SNVBAGLBSA-N 0 0 328.459 2.385 40 0 EEABRN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000096407548 463240306 /nfs/dbraw/zinc/24/03/06/463240306.db2.gz QIWKRQVHSBLZLC-SJLPKXTDSA-N 0 0 344.455 2.338 40 0 EEABRN O=C(COCC1CC1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000096408148 463241720 /nfs/dbraw/zinc/24/17/20/463241720.db2.gz GBLNWCBQOYRGIV-CYBMUJFWSA-N 0 0 340.370 2.410 40 0 EEABRN C[C@@H](C(=O)N1CCCC[C@H]1C1OCCO1)N1CCc2ccccc2C1 ZINC000096412373 463244670 /nfs/dbraw/zinc/24/46/70/463244670.db2.gz TVRQFJHKFYQPNN-YJBOKZPZSA-N 0 0 344.455 2.187 40 0 EEABRN CCc1nnnn1-c1ccccc1NC(=O)Cc1csc(C)n1 ZINC000096411811 463245023 /nfs/dbraw/zinc/24/50/23/463245023.db2.gz QQLQBDSWKQTDLZ-UHFFFAOYSA-N 0 0 328.401 2.171 40 0 EEABRN O=C(Cc1cccc(Br)c1)NCCn1cnnc1C1CC1 ZINC000096412665 463245103 /nfs/dbraw/zinc/24/51/03/463245103.db2.gz BSDHLSKTYMGQAW-UHFFFAOYSA-N 0 0 349.232 2.277 40 0 EEABRN O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc2[nH]ccc2c1 ZINC000096414023 463246767 /nfs/dbraw/zinc/24/67/67/463246767.db2.gz UTHIXHLITSYFCV-LLVKDONJSA-N 0 0 325.290 2.061 40 0 EEABRN CC[C@](C)(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1nccs1 ZINC000096416612 463247790 /nfs/dbraw/zinc/24/77/90/463247790.db2.gz PHHCWDXYCQISTQ-INIZCTEOSA-N 0 0 342.428 2.103 40 0 EEABRN Cc1ccc(N2CCC[C@H](NC(=O)CCCn3ccnc3)C2=O)cc1 ZINC000096425876 463255288 /nfs/dbraw/zinc/25/52/88/463255288.db2.gz INGIEAVCXCDFDM-KRWDZBQOSA-N 0 0 340.427 2.284 40 0 EEABRN CC(C)(CNC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1Cl ZINC000096426391 463255627 /nfs/dbraw/zinc/25/56/27/463255627.db2.gz JPCROVMTZKOUQD-UHFFFAOYSA-N 0 0 346.880 2.062 40 0 EEABRN CCO[C@H]1C[C@H](O)C12CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC000096429567 463259181 /nfs/dbraw/zinc/25/91/81/463259181.db2.gz LACFBNMAFSKVNC-GJZGRUSLSA-N 0 0 344.415 2.196 40 0 EEABRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NN3CCOCC3)c2)no1 ZINC000096435969 463263261 /nfs/dbraw/zinc/26/32/61/463263261.db2.gz UEWUAYYTFVOSAH-UHFFFAOYSA-N 0 0 344.415 2.302 40 0 EEABRN O=C(NCCc1ccccc1Br)NCC1=COCCO1 ZINC000096439626 463266046 /nfs/dbraw/zinc/26/60/46/463266046.db2.gz ROCYRVVWQFETDJ-UHFFFAOYSA-N 0 0 341.205 2.179 40 0 EEABRN CN(C)c1cccc([C@@H]2CCCN2c2nc3c(cnn3C)c(=O)[nH]2)c1 ZINC000096456220 463275738 /nfs/dbraw/zinc/27/57/38/463275738.db2.gz UZTXBGUDDVRANV-HNNXBMFYSA-N 0 0 338.415 2.064 40 0 EEABRN Cn1cc(-c2csc(NC(=O)[C@@H]3CCCc4n[nH]cc43)n2)cn1 ZINC000096466371 463277916 /nfs/dbraw/zinc/27/79/16/463277916.db2.gz NTPJKDINXKWQRM-SNVBAGLBSA-N 0 0 328.401 2.325 40 0 EEABRN CC[C@H](NC(=O)c1ccon1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473754 463278809 /nfs/dbraw/zinc/27/88/09/463278809.db2.gz QPHFFTPNXJWKDF-DOTOQJQBSA-N 0 0 329.400 2.084 40 0 EEABRN COc1cncc(N2CCN(C(=O)c3c(C)cccc3C)CC2)n1 ZINC000096475026 463280393 /nfs/dbraw/zinc/28/03/93/463280393.db2.gz CRJUCMMNYGKSOV-UHFFFAOYSA-N 0 0 326.400 2.064 40 0 EEABRN COCCC(=O)N1CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000096480759 463281380 /nfs/dbraw/zinc/28/13/80/463281380.db2.gz BPEKNLJPIOWAMK-UHFFFAOYSA-N 0 0 338.835 2.406 40 0 EEABRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCCNC(=O)C(C)(C)C ZINC000096494713 463288714 /nfs/dbraw/zinc/28/87/14/463288714.db2.gz AVHNTMXYOZPMSV-UHFFFAOYSA-N 0 0 345.365 2.408 40 0 EEABRN OC1(C(F)(F)F)CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000097095407 463321026 /nfs/dbraw/zinc/32/10/26/463321026.db2.gz DXVMRSPZHMKRBP-UHFFFAOYSA-N 0 0 326.322 2.361 40 0 EEABRN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000097104480 463325452 /nfs/dbraw/zinc/32/54/52/463325452.db2.gz LMHWEISDEBSTLW-SMDDNHRTSA-N 0 0 338.454 2.407 40 0 EEABRN COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[C@H](CC(N)=O)C1 ZINC000097372057 463355261 /nfs/dbraw/zinc/35/52/61/463355261.db2.gz RRDQHFJBUGXCLM-BMIGLBTASA-N 0 0 342.798 2.281 40 0 EEABRN Brc1cnn(CC2CCN(Cc3csnn3)CC2)c1 ZINC000097371187 463355753 /nfs/dbraw/zinc/35/57/53/463355753.db2.gz PJSNABUEPYKCMX-UHFFFAOYSA-N 0 0 342.266 2.409 40 0 EEABRN CC(C)N(CC(N)=O)Cc1cc(Br)cc2c1OCC2 ZINC000097379092 463358652 /nfs/dbraw/zinc/35/86/52/463358652.db2.gz QWQWYZYXAQAEBM-UHFFFAOYSA-N 0 0 327.222 2.080 40 0 EEABRN Cc1cc(CN2CCN(C(=O)C3(c4ccccc4)CC3)CC2)on1 ZINC000070039402 463370750 /nfs/dbraw/zinc/37/07/50/463370750.db2.gz JIKAHAJRFPDYFR-UHFFFAOYSA-N 0 0 325.412 2.359 40 0 EEABRN C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)N1CCN(c2nccs2)CC1 ZINC000104623316 463417429 /nfs/dbraw/zinc/41/74/29/463417429.db2.gz WWTNAOAFBZDTRG-KKUMJFAQSA-N 0 0 336.505 2.349 40 0 EEABRN CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033645544 463423497 /nfs/dbraw/zinc/42/34/97/463423497.db2.gz NYLIZCGHYUIJMM-MRVPVSSYSA-N 0 0 339.244 2.185 40 0 EEABRN CC[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000033658921 463423681 /nfs/dbraw/zinc/42/36/81/463423681.db2.gz DUYVLWKPLHOROE-SECBINFHSA-N 0 0 336.816 2.160 40 0 EEABRN CCn1cccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000033625588 463424284 /nfs/dbraw/zinc/42/42/84/463424284.db2.gz BBCFEJPOXSMSMR-JLHYYAGUSA-N 0 0 333.413 2.167 40 0 EEABRN CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(C)C ZINC000038187153 463446080 /nfs/dbraw/zinc/44/60/80/463446080.db2.gz GUWLELXMOIVPJJ-ZDUSSCGKSA-N 0 0 330.388 2.296 40 0 EEABRN Cc1noc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000041121812 463468673 /nfs/dbraw/zinc/46/86/73/463468673.db2.gz TVBOVGDQELNHTF-UHFFFAOYSA-N 0 0 329.356 2.169 40 0 EEABRN Cc1ccc(C(=O)N[C@H](C(N)=O)c2nnc(-c3ccccc3)o2)cc1 ZINC000041154477 463471000 /nfs/dbraw/zinc/47/10/00/463471000.db2.gz JANAKQUBQPAJQL-CQSZACIVSA-N 0 0 336.351 2.001 40 0 EEABRN CC(C)(CNc1cc(C(=O)NC2CC2)c2ccccc2n1)C(N)=O ZINC000071955518 463478767 /nfs/dbraw/zinc/47/87/67/463478767.db2.gz XBNOKJYSLKBOIB-UHFFFAOYSA-N 0 0 326.400 2.050 40 0 EEABRN Cn1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)cn1 ZINC000057354962 463480485 /nfs/dbraw/zinc/48/04/85/463480485.db2.gz AIAWMYOLNJNYNR-XJKSGUPXSA-N 0 0 330.363 2.107 40 0 EEABRN COc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000057427641 463487832 /nfs/dbraw/zinc/48/78/32/463487832.db2.gz WELZEVFSUCFHOJ-INIZCTEOSA-N 0 0 346.452 2.248 40 0 EEABRN C[C@]1(C(=O)NCc2ccccn2)Oc2ccc(Cl)cc2NC1=O ZINC000041549943 463493325 /nfs/dbraw/zinc/49/33/25/463493325.db2.gz QDFYTFOGRIDMTF-MRXNPFEDSA-N 0 0 331.759 2.141 40 0 EEABRN CCOCc1cccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083712876 463556427 /nfs/dbraw/zinc/55/64/27/463556427.db2.gz GXNKJFSYDPVFFK-MRXNPFEDSA-N 0 0 343.431 2.457 40 0 EEABRN Cc1nc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000107226339 463562217 /nfs/dbraw/zinc/56/22/17/463562217.db2.gz TYGKZZBEXDPMAN-CJNGLKHVSA-N 0 0 331.445 2.087 40 0 EEABRN Cc1cnc(N2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)nc1 ZINC000107226188 463562649 /nfs/dbraw/zinc/56/26/49/463562649.db2.gz NOZLWNYRFIWULU-DYVFJYSZSA-N 0 0 329.379 2.169 40 0 EEABRN Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)sc2cccc(F)c12 ZINC000044873767 463697860 /nfs/dbraw/zinc/69/78/60/463697860.db2.gz PWWOYGTZHJIMQU-SECBINFHSA-N 0 0 327.402 2.266 40 0 EEABRN CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(C)cc1 ZINC000257238351 463757631 /nfs/dbraw/zinc/75/76/31/463757631.db2.gz HKOLZHFRRYIZGO-AEFFLSMTSA-N 0 0 332.444 2.135 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 ZINC000257278619 463757846 /nfs/dbraw/zinc/75/78/46/463757846.db2.gz OCYFRPDYXQHNOQ-QGZVFWFLSA-N 0 0 327.384 2.154 40 0 EEABRN CO[C@H]1CN(CC(=O)Nc2ccc(C)c(F)c2)CC[C@]12CCCO2 ZINC000257285651 463761023 /nfs/dbraw/zinc/76/10/23/463761023.db2.gz PIDKOSHNWBHTJC-FUHWJXTLSA-N 0 0 336.407 2.343 40 0 EEABRN CC(=O)N[C@H](c1nccs1)C1CCN(c2ccnc(C)n2)CC1 ZINC000257282902 463761275 /nfs/dbraw/zinc/76/12/75/463761275.db2.gz OVUUQIBJOXHMMH-HNNXBMFYSA-N 0 0 331.445 2.335 40 0 EEABRN CCN(C)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F ZINC000257292310 463765116 /nfs/dbraw/zinc/76/51/16/463765116.db2.gz QKXPNZBCZLNROB-PBHICJAKSA-N 0 0 336.407 2.230 40 0 EEABRN O=C(c1cnccn1)N1CCC2(C[C@H](Cc3ccccn3)CO2)CC1 ZINC000257300623 463769144 /nfs/dbraw/zinc/76/91/44/463769144.db2.gz RVCSIIRLFJGVPW-HNNXBMFYSA-N 0 0 338.411 2.126 40 0 EEABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccn1 ZINC000257311759 463773070 /nfs/dbraw/zinc/77/30/70/463773070.db2.gz UKWLIWCRWJMDQK-KRWDZBQOSA-N 0 0 339.395 2.136 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CCCc3ccncc3)CCO2)nc(C)n1 ZINC000257312534 463773505 /nfs/dbraw/zinc/77/35/05/463773505.db2.gz UOKIXAYVDAKNHZ-GOSISDBHSA-N 0 0 340.427 2.411 40 0 EEABRN C[C@]12CCCN(C(=O)c3n[nH]c4ccccc43)[C@H]1CCCC(=O)N2 ZINC000257321862 463777759 /nfs/dbraw/zinc/77/77/59/463777759.db2.gz WDPHTWYUPDYVSV-KSSFIOAISA-N 0 0 326.400 2.226 40 0 EEABRN COC(=O)[C@H]1C[C@@H](O)CN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000185537061 463838917 /nfs/dbraw/zinc/83/89/17/463838917.db2.gz FYZMYOXUMXALAG-ZWNOBZJWSA-N 0 0 336.775 2.103 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)Nc2ccnc3ccnn32)[C@@H]1c1ccccc1 ZINC000171996526 463964030 /nfs/dbraw/zinc/96/40/30/463964030.db2.gz FLRCPXWVOQWMEC-KSSFIOAISA-N 0 0 349.394 2.278 40 0 EEABRN Cc1ccc(NC(=O)c2nccnc2N)cc1C(=O)N1CCCCC1 ZINC000279208441 464064323 /nfs/dbraw/zinc/06/43/23/464064323.db2.gz NIWHDIWYGJZJAV-UHFFFAOYSA-N 0 0 339.399 2.246 40 0 EEABRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1cccc(=O)n1C ZINC000195563099 464077805 /nfs/dbraw/zinc/07/78/05/464077805.db2.gz DBUQYQRFNJSWLY-KRWDZBQOSA-N 0 0 328.412 2.045 40 0 EEABRN C[C@H](NS(=O)(=O)c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000195580618 464081805 /nfs/dbraw/zinc/08/18/05/464081805.db2.gz LOFCDUSEPWBPDH-KSSFIOAISA-N 0 0 348.468 2.023 40 0 EEABRN COCC[C@@](C)(O)CNC(=O)c1ccc(Br)c(C)c1 ZINC000179365686 464119996 /nfs/dbraw/zinc/11/99/96/464119996.db2.gz UEUQLBGBVRVRLQ-CQSZACIVSA-N 0 0 330.222 2.275 40 0 EEABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN1CCOCC1 ZINC000222991079 464135809 /nfs/dbraw/zinc/13/58/09/464135809.db2.gz BTOCFXQSPNOODP-SFHVURJKSA-N 0 0 334.460 2.299 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)oc(=O)n2C ZINC000223334335 464140716 /nfs/dbraw/zinc/14/07/16/464140716.db2.gz DUQDQVNDKXZXJH-UHFFFAOYSA-N 0 0 336.344 2.380 40 0 EEABRN CCCCNC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224181365 464148735 /nfs/dbraw/zinc/14/87/35/464148735.db2.gz ZMEJDPLSKDKUHN-HNNXBMFYSA-N 0 0 342.461 2.156 40 0 EEABRN C[C@@H](Oc1cccc(F)c1F)C(=O)N1CCN(Cc2ccc[nH]2)CC1 ZINC000225413465 464158561 /nfs/dbraw/zinc/15/85/61/464158561.db2.gz BJOHSOQGRWEBNB-CYBMUJFWSA-N 0 0 349.381 2.405 40 0 EEABRN O=c1c2cccnc2ncn1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000187804032 464164019 /nfs/dbraw/zinc/16/40/19/464164019.db2.gz RTXJEHSOHMQJGT-UHFFFAOYSA-N 0 0 341.277 2.168 40 0 EEABRN Cc1c2cc(F)ccc2oc1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000187889764 464172295 /nfs/dbraw/zinc/17/22/95/464172295.db2.gz LYADATUXYOVNSO-UHFFFAOYSA-N 0 0 333.363 2.254 40 0 EEABRN CCOC(=O)c1c(NC(C)=O)nn(CC(C)C)c1Br ZINC000225807332 464181456 /nfs/dbraw/zinc/18/14/56/464181456.db2.gz QMWIFLWKDYCWEF-UHFFFAOYSA-N 0 0 332.198 2.437 40 0 EEABRN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)C1CC1 ZINC000173133205 464196607 /nfs/dbraw/zinc/19/66/07/464196607.db2.gz HTFCDKVCGVPBSE-QGZVFWFLSA-N 0 0 344.436 2.318 40 0 EEABRN Cc1cccc(NC(=O)C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000188910086 464392710 /nfs/dbraw/zinc/39/27/10/464392710.db2.gz LOTLBIGGJMYZNM-UHFFFAOYSA-N 0 0 340.427 2.148 40 0 EEABRN CCS(=O)(=O)c1ccc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000241447105 464453380 /nfs/dbraw/zinc/45/33/80/464453380.db2.gz NRFLGBSAFYPLIE-RHSMWYFYSA-N 0 0 339.457 2.255 40 0 EEABRN C[C@H]1CCSCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000189526046 464526242 /nfs/dbraw/zinc/52/62/42/464526242.db2.gz XKYYLHZUDDLMBH-STQMWFEESA-N 0 0 338.452 2.336 40 0 EEABRN Cc1cncc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000190012233 464586552 /nfs/dbraw/zinc/58/65/52/464586552.db2.gz DXFZDDWKJHIZCI-QGZVFWFLSA-N 0 0 337.489 2.216 40 0 EEABRN Fc1cccnc1O[C@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000247491012 464684950 /nfs/dbraw/zinc/68/49/50/464684950.db2.gz BLHDAJJSWQRNMF-OAHLLOKOSA-N 0 0 328.347 2.474 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 ZINC000247871899 464710794 /nfs/dbraw/zinc/71/07/94/464710794.db2.gz RFPFOXWWSYEPFA-CYBMUJFWSA-N 0 0 345.424 2.238 40 0 EEABRN O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 ZINC000247891324 464713177 /nfs/dbraw/zinc/71/31/77/464713177.db2.gz YTDMFVZMEKURSC-AWEZNQCLSA-N 0 0 337.383 2.255 40 0 EEABRN Cc1ncsc1CN1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000248023575 464723968 /nfs/dbraw/zinc/72/39/68/464723968.db2.gz JQLHNJOILRXJBF-OAHLLOKOSA-N 0 0 345.472 2.217 40 0 EEABRN Cc1cc(CN2CC3(C2)C[C@H](Oc2ncccc2F)CS3)n(C)n1 ZINC000248057212 464726433 /nfs/dbraw/zinc/72/64/33/464726433.db2.gz SSMBHFPJWWGRPG-AWEZNQCLSA-N 0 0 348.447 2.402 40 0 EEABRN C[C@@H]1CN(Cc2nnnn2CC(F)(F)F)[C@@H](c2ccccc2)CO1 ZINC000248756822 464796701 /nfs/dbraw/zinc/79/67/01/464796701.db2.gz HOWCEJZUWUNOHS-DGCLKSJQSA-N 0 0 341.337 2.197 40 0 EEABRN Cc1noc(C)c1CN1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1 ZINC000251987221 464950440 /nfs/dbraw/zinc/95/04/40/464950440.db2.gz HUBWEDOYAPKIFU-MRXNPFEDSA-N 0 0 342.443 2.251 40 0 EEABRN Cc1nc(Cn2nnc(NC(=O)N[C@H]3CCCC[C@@H]3C)c2C)no1 ZINC000252478395 464958685 /nfs/dbraw/zinc/95/86/85/464958685.db2.gz ALEMYBKHVILHSE-CABZTGNLSA-N 0 0 333.396 2.026 40 0 EEABRN Cc1ccc(CS(=O)(=O)NCCc2nc(C(C)C)no2)c(F)c1 ZINC000192627939 464962949 /nfs/dbraw/zinc/96/29/49/464962949.db2.gz RWPNUZBPEJCAGK-UHFFFAOYSA-N 0 0 341.408 2.303 40 0 EEABRN Cc1ccsc1-c1nnc(NC(=O)CN2C[C@H](C)OC[C@H]2C)o1 ZINC000252485877 464963045 /nfs/dbraw/zinc/96/30/45/464963045.db2.gz BHPBHTBNLDFZQQ-MNOVXSKESA-N 0 0 336.417 2.154 40 0 EEABRN COc1cc(OC)cc(N2CC[C@H](N(C)c3nc(C)ns3)C2=O)c1 ZINC000253423075 465008933 /nfs/dbraw/zinc/00/89/33/465008933.db2.gz HYICKBAPDAPTGY-AWEZNQCLSA-N 0 0 348.428 2.105 40 0 EEABRN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ncn(C(C)(C)C)n2)no1 ZINC000329685997 465406713 /nfs/dbraw/zinc/40/67/13/465406713.db2.gz AERBCVQOTFDRJC-NSHDSACASA-N 0 0 347.423 2.909 40 0 EEABRN CCn1cc(S(=O)(=O)NC(C)(C)c2nc(C)c(C)s2)nc1C ZINC000330576918 465714983 /nfs/dbraw/zinc/71/49/83/465714983.db2.gz PLXXBHUQFLXZGJ-UHFFFAOYSA-N 0 0 342.490 2.498 40 0 EEABRN CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330790451 465804746 /nfs/dbraw/zinc/80/47/46/465804746.db2.gz SQJUYOPAYPRKAV-AAEUAGOBSA-N 0 0 344.864 2.265 40 0 EEABRN O=C1NC[C@H](c2ccccc2)[C@@]12C[N@H+](CCc1ccccc1)CCO2 ZINC000306124586 466486885 /nfs/dbraw/zinc/48/68/85/466486885.db2.gz BTYRMUMXDRSQDW-CTNGQTDRSA-N 0 0 336.435 2.214 40 0 EEABRN Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)n1cccn1 ZINC000575606142 468146882 /nfs/dbraw/zinc/14/68/82/468146882.db2.gz SGTQWADBSAAQDT-AWEZNQCLSA-N 0 0 330.413 2.498 40 0 EEABRN Cc1c2ccccc2oc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CO ZINC000585094997 468964472 /nfs/dbraw/zinc/96/44/72/468964472.db2.gz YQEBBSBSSKHXEW-GFCCVEGCSA-N 0 0 325.368 2.034 40 0 EEABRN CC(C)CCC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@@H]1C ZINC000585096352 468964530 /nfs/dbraw/zinc/96/45/30/468964530.db2.gz JULPGCGWATWZNQ-AWEZNQCLSA-N 0 0 346.475 2.291 40 0 EEABRN COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(C)cc1 ZINC000585097681 468965809 /nfs/dbraw/zinc/96/58/09/468965809.db2.gz PJEQCEVQJQATFM-INIZCTEOSA-N 0 0 329.400 2.018 40 0 EEABRN O=C(N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21)C1(F)CCC1 ZINC000585108271 468972480 /nfs/dbraw/zinc/97/24/80/468972480.db2.gz LTNLOGAZPFXOHH-GVDBMIGSSA-N 0 0 348.418 2.496 40 0 EEABRN COc1ccc(COCC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cn1 ZINC000585123737 468980985 /nfs/dbraw/zinc/98/09/85/468980985.db2.gz SLIHDOJNWRTORL-DRMAHVMPSA-N 0 0 328.412 2.277 40 0 EEABRN Cn1nccc1S(=O)(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000585123474 468981557 /nfs/dbraw/zinc/98/15/57/468981557.db2.gz GJFGDUFBYMGCMH-UHFFFAOYSA-N 0 0 327.356 2.056 40 0 EEABRN Cc1cc(N2CC[C@@H](Cc3cc(-c4nccn4C)ncn3)C2)ncn1 ZINC000585178879 468994423 /nfs/dbraw/zinc/99/44/23/468994423.db2.gz XROVWZHFQOHLQX-AWEZNQCLSA-N 0 0 335.415 2.045 40 0 EEABRN Cc1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3)C2)c(=O)[nH]1 ZINC000585275670 468998755 /nfs/dbraw/zinc/99/87/55/468998755.db2.gz FVTPPHSZNSJZAG-LJQANCHMSA-N 0 0 342.395 2.142 40 0 EEABRN CCCn1nccc1C(=O)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585275726 468999142 /nfs/dbraw/zinc/99/91/42/468999142.db2.gz GITGBZYHSLFMJK-QAPCUYQASA-N 0 0 345.418 2.498 40 0 EEABRN Cc1ccc(C[C@@H]2CN(C(=O)c3cncc(O)c3)CC[C@@H]2O)cc1 ZINC000585277869 469003871 /nfs/dbraw/zinc/00/38/71/469003871.db2.gz QMUQLYGRYCCCMC-AEFFLSMTSA-N 0 0 326.396 2.161 40 0 EEABRN O=C(CCc1ccno1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585278594 469004378 /nfs/dbraw/zinc/00/43/78/469004378.db2.gz UNDMZCBOUPFODA-PBHICJAKSA-N 0 0 332.375 2.198 40 0 EEABRN CNc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](OC)C2)ccn1 ZINC000585279528 469006093 /nfs/dbraw/zinc/00/60/93/469006093.db2.gz NTCZWNCPSDJIEN-AEFFLSMTSA-N 0 0 339.439 2.843 40 0 EEABRN Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)c3cnccn3)[C@H]2O)c1 ZINC000585287389 469009699 /nfs/dbraw/zinc/00/96/99/469009699.db2.gz ZUUWHOSKPVBGFK-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCCCCC2)c(C)c1 ZINC000242940315 485536383 /nfs/dbraw/zinc/53/63/83/485536383.db2.gz HBBTZSWXABNGHW-UHFFFAOYSA-N 0 0 338.473 2.293 40 0 EEABRN Cc1nccc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)n1 ZINC000257320089 501005713 /nfs/dbraw/zinc/00/57/13/501005713.db2.gz VVIFPQWWHPZVFF-QGZVFWFLSA-N 0 0 329.375 2.457 40 0 EEABRN Cc1ccc(-n2cnnn2)cc1NS(=O)(=O)c1cccc(F)c1C ZINC000181095788 534244209 /nfs/dbraw/zinc/24/42/09/534244209.db2.gz OOSPHXKLWAHJJU-UHFFFAOYSA-N 0 0 347.375 2.219 40 0 EEABRN COC(=O)c1ccccc1-c1ccc(CN2CCn3cnnc3C2)o1 ZINC000132329604 534286288 /nfs/dbraw/zinc/28/62/88/534286288.db2.gz YVNFBXBOMBDQFM-UHFFFAOYSA-N 0 0 338.367 2.341 40 0 EEABRN C[C@@H](CN1CCCC1=O)Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000096408650 524600187 /nfs/dbraw/zinc/60/01/87/524600187.db2.gz OCUGRTFJJGSUHG-ZDUSSCGKSA-N 0 0 337.427 2.450 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000252517330 525378025 /nfs/dbraw/zinc/37/80/25/525378025.db2.gz FYOILDKKNVQBSV-OBQMCUGOSA-N 0 0 348.418 2.229 40 0 EEABRN CC1=NC(=S)N[C@H](c2ccc3c(c2)OCO3)C1C(=O)OC(C)C ZINC000111906283 528083069 /nfs/dbraw/zinc/08/30/69/528083069.db2.gz VFBKIBOPOMMZKR-CQSZACIVSA-N 0 0 334.397 2.160 40 0 EEABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000222758518 535372469 /nfs/dbraw/zinc/37/24/69/535372469.db2.gz QVGBNPVWDUWNSU-RDJZCZTQSA-N 0 0 332.444 2.355 40 0 EEABRN CCN(CC)S(=O)(=O)N1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257242846 535622774 /nfs/dbraw/zinc/62/27/74/535622774.db2.gz IELHJCDIUWUKOX-QLPKVWCKSA-N 0 0 338.473 2.362 40 0 EEABRN CCOC(=O)c1cccc(NC(=S)NCCN2CCCC2=O)c1C ZINC000225812375 535701936 /nfs/dbraw/zinc/70/19/36/535701936.db2.gz YFFIRYKLBZLEQG-UHFFFAOYSA-N 0 0 349.456 2.081 40 0 EEABRN CCOc1ccc(CCC(=O)N2Cc3cncn3[C@H](COC)C2)cc1 ZINC000253613828 535716121 /nfs/dbraw/zinc/71/61/21/535716121.db2.gz OMVJPCKRQKXWMV-KRWDZBQOSA-N 0 0 343.427 2.444 40 0 EEABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)C)cc1 ZINC000226051032 536110107 /nfs/dbraw/zinc/11/01/07/536110107.db2.gz ODKYVNLCHAHGJR-UHFFFAOYSA-N 0 0 326.462 2.032 40 0 EEABRN COC(=O)Cc1ccccc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000225804844 536369424 /nfs/dbraw/zinc/36/94/24/536369424.db2.gz NIRHUFHLJDOUHR-LBPRGKRZSA-N 0 0 343.427 2.113 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257249408 536868816 /nfs/dbraw/zinc/86/88/16/536868816.db2.gz JIFAAGVURNPFGF-ZDUSSCGKSA-N 0 0 333.413 2.054 40 0 EEABRN CCOC(=O)[C@H]1CCCCN1c1nn2cnnc2c2ccccc21 ZINC000027985519 1352373895 /nfs/dbraw/zinc/37/38/95/1352373895.db2.gz FDDRZMKNGRRGFX-CQSZACIVSA-N 0 0 325.372 2.200 40 0 EEABRN Cc1ccccc1-c1cc2c(N3CCC(C(N)=O)CC3)nccn2n1 ZINC000067285421 1354095328 /nfs/dbraw/zinc/09/53/28/1354095328.db2.gz AHMKQQOQPGDURR-UHFFFAOYSA-N 0 0 335.411 2.406 40 0 EEABRN Cc1cc(C)n(C[C@H]2CN(Cc3nc(C(C)C)ns3)CCO2)n1 ZINC000929575804 1410233449 /nfs/dbraw/zinc/23/34/49/1410233449.db2.gz OOIFEWLMDATFIQ-CQSZACIVSA-N 0 0 335.477 2.376 40 0 EEABRN O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCc2ccns2)C1 ZINC001548451618 1110416106 /nfs/dbraw/zinc/41/61/06/1110416106.db2.gz AAVQPBANQFMNAV-HNNXBMFYSA-N 0 0 343.518 2.012 40 0 EEABRN O=C(N[C@@H]1CCc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000053476971 214185401 /nfs/dbraw/zinc/18/54/01/214185401.db2.gz DLDVOWGVJNBEHV-QZTJIDSGSA-N 0 0 333.395 2.261 40 0 EEABRN CCCCOCCOCCOC(=O)COc1ccc(OC)cc1 ZINC000004705583 210254406 /nfs/dbraw/zinc/25/44/06/210254406.db2.gz VJBMZSVGXQRDDL-UHFFFAOYSA-N 0 0 326.389 2.451 40 0 EEABRN COc1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000055651090 214336525 /nfs/dbraw/zinc/33/65/25/214336525.db2.gz SWRTXPHQINRPPM-UHFFFAOYSA-N 0 0 335.381 2.292 40 0 EEABRN CN(Cc1cccc(Cl)c1Cl)Cc1cc(=O)n(C)c(=O)n1C ZINC000056700852 214384864 /nfs/dbraw/zinc/38/48/64/214384864.db2.gz YAVTXJVIAKHDMX-UHFFFAOYSA-N 0 0 342.226 2.023 40 0 EEABRN Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000057773483 214450797 /nfs/dbraw/zinc/45/07/97/214450797.db2.gz KBZVSUYRRXZSNJ-ZIAGYGMSSA-N 0 0 329.425 2.130 40 0 EEABRN CCc1ccccc1S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000186974175 529606266 /nfs/dbraw/zinc/60/62/66/529606266.db2.gz NTPJCPZCPMWZRL-CYBMUJFWSA-N 0 0 338.454 2.468 40 0 EEABRN Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1Cl ZINC000004503979 210205959 /nfs/dbraw/zinc/20/59/59/210205959.db2.gz KIWRRIWHSZAOKL-SOUVJXGZSA-N 0 0 335.835 2.376 40 0 EEABRN COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3C)cc1OC ZINC000046016244 213773364 /nfs/dbraw/zinc/77/33/64/213773364.db2.gz MKMMSRQASDYLHO-CQSZACIVSA-N 0 0 329.400 2.174 40 0 EEABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(C)c2)c1 ZINC000222962708 539658179 /nfs/dbraw/zinc/65/81/79/539658179.db2.gz YIIPGHATJHRSKQ-UHFFFAOYSA-N 0 0 348.424 2.472 40 0 EEABRN C[C@@H](Oc1ccccc1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000040487864 213316310 /nfs/dbraw/zinc/31/63/10/213316310.db2.gz AZAQBHGQXPRXML-CQSZACIVSA-N 0 0 342.395 2.468 40 0 EEABRN C[C@H]1Cc2cc(-c3cc(CC(=O)N4CCOCC4)no3)ccc2O1 ZINC000038498375 213211989 /nfs/dbraw/zinc/21/19/89/213211989.db2.gz PPCZHINJELDVCM-LBPRGKRZSA-N 0 0 328.368 2.066 40 0 EEABRN CNC(=O)NCC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000155441648 290508546 /nfs/dbraw/zinc/50/85/46/290508546.db2.gz IWOWZPQPSXDRRK-CYBMUJFWSA-N 0 0 331.338 2.448 40 0 EEABRN CCCN(C[C@@H]1CCCO1)C(=O)COc1ccc2nsnc2c1 ZINC000036741160 213115918 /nfs/dbraw/zinc/11/59/18/213115918.db2.gz YCCGFEDXIXAOLL-ZDUSSCGKSA-N 0 0 335.429 2.488 40 0 EEABRN Cc1csc([C@H](C)CNC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000186808558 236027819 /nfs/dbraw/zinc/02/78/19/236027819.db2.gz GKYYZLACTHZAPI-DGCLKSJQSA-N 0 0 334.449 2.193 40 0 EEABRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)o1 ZINC000186812512 236029508 /nfs/dbraw/zinc/02/95/08/236029508.db2.gz UHDKGODUGPPWMU-UHFFFAOYSA-N 0 0 332.331 2.452 40 0 EEABRN NC(=O)C1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000187960377 236359262 /nfs/dbraw/zinc/35/92/62/236359262.db2.gz QOMNBNCBHNJXPH-UHFFFAOYSA-N 0 0 344.839 2.436 40 0 EEABRN C[C@H](C[S@](C)=O)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000189903976 237383786 /nfs/dbraw/zinc/38/37/86/237383786.db2.gz GXEZJBMZYVOOTM-STFLBKPXSA-N 0 0 330.400 2.406 40 0 EEABRN Cn1nccc1CCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189981408 237467153 /nfs/dbraw/zinc/46/71/53/237467153.db2.gz HFKNUQVGANWGNF-UHFFFAOYSA-N 0 0 340.427 2.241 40 0 EEABRN Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072240445 216080002 /nfs/dbraw/zinc/08/00/02/216080002.db2.gz RSCRIYVBPGDLEA-UHFFFAOYSA-N 0 0 330.407 2.447 40 0 EEABRN O=C(NCC[C@H](O)c1ccco1)c1ccc(Cn2cccn2)cc1 ZINC000072243140 216082145 /nfs/dbraw/zinc/08/21/45/216082145.db2.gz UWNFQADOEZTAOM-INIZCTEOSA-N 0 0 325.368 2.378 40 0 EEABRN CCc1c(C)sc2ncn3c(nn(Cc4cccnc4)c3=O)c12 ZINC000072335285 216156446 /nfs/dbraw/zinc/15/64/46/216156446.db2.gz VBSCHIHUMHKHPQ-UHFFFAOYSA-N 0 0 325.397 2.420 40 0 EEABRN Cc1nc2c(c(N3CCC[C@H](O)C3)n1)CN(Cc1ccccc1)CC2 ZINC000072347593 216160244 /nfs/dbraw/zinc/16/02/44/216160244.db2.gz RSFJCVQISOBLLF-KRWDZBQOSA-N 0 0 338.455 2.304 40 0 EEABRN CN(C)c1ccc(C[C@H]2CCCN(C(=O)c3cscn3)C2)nn1 ZINC000072366105 216172030 /nfs/dbraw/zinc/17/20/30/216172030.db2.gz JMCSFPSQLQSDSS-GFCCVEGCSA-N 0 0 331.445 2.094 40 0 EEABRN c1cnc(Nc2cncc([C@@H]3CCCN(c4cnccn4)C3)n2)nc1 ZINC000072360968 216168066 /nfs/dbraw/zinc/16/80/66/216168066.db2.gz FSDSNZHTKYAWQH-CYBMUJFWSA-N 0 0 334.387 2.184 40 0 EEABRN CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072361700 216168071 /nfs/dbraw/zinc/16/80/71/216168071.db2.gz WUMAHUBDEDZCNW-CQSZACIVSA-N 0 0 340.383 2.094 40 0 EEABRN COc1cccc(S(=O)(=O)N2CCC[C@@H](c3cncc(C)n3)C2)c1 ZINC000072369428 216175529 /nfs/dbraw/zinc/17/55/29/216175529.db2.gz GPNTUPQPJWYTMM-CQSZACIVSA-N 0 0 347.440 2.362 40 0 EEABRN O=C(COc1ccccc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000072378592 216181530 /nfs/dbraw/zinc/18/15/30/216181530.db2.gz LVGVGEBDWSMHHK-QGZVFWFLSA-N 0 0 349.394 2.405 40 0 EEABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000072378608 216181935 /nfs/dbraw/zinc/18/19/35/216181935.db2.gz OEKWWNRUFYAPNL-CYBMUJFWSA-N 0 0 340.412 2.405 40 0 EEABRN CC(C)C(=O)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383701 216183552 /nfs/dbraw/zinc/18/35/52/216183552.db2.gz MKQNAKGVOJMCTI-AWEZNQCLSA-N 0 0 340.431 2.447 40 0 EEABRN NC(=O)c1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 ZINC000072388146 216188208 /nfs/dbraw/zinc/18/82/08/216188208.db2.gz MHZWHTVPBVKUHY-OAHLLOKOSA-N 0 0 345.786 2.048 40 0 EEABRN CCC(CC)NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C ZINC000073850074 216430109 /nfs/dbraw/zinc/43/01/09/216430109.db2.gz WZFMXCOSKDKIRE-CYBMUJFWSA-N 0 0 341.477 2.285 40 0 EEABRN Cc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)o1 ZINC000192291702 239633144 /nfs/dbraw/zinc/63/31/44/239633144.db2.gz IIEOMMNYAYYPCF-OAHLLOKOSA-N 0 0 327.384 2.131 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCN(C[C@H]2CCC=CO2)CC1 ZINC000193716894 240280908 /nfs/dbraw/zinc/28/09/08/240280908.db2.gz YXWUNFKEVZEIFY-QGZVFWFLSA-N 0 0 334.391 2.041 40 0 EEABRN CN(C)c1nccnc1O[C@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000225503509 241903247 /nfs/dbraw/zinc/90/32/47/241903247.db2.gz BBSPPAYNJGMPOV-ZDUSSCGKSA-N 0 0 346.456 2.217 40 0 EEABRN NC(=O)c1ccccc1NC(=O)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225720626 242002063 /nfs/dbraw/zinc/00/20/63/242002063.db2.gz MJBDWIJJJMQJIU-GFCCVEGCSA-N 0 0 343.408 2.317 40 0 EEABRN COC(=O)c1cnccc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000225803370 242043095 /nfs/dbraw/zinc/04/30/95/242043095.db2.gz XLZDGHQVCDFPPJ-HNNXBMFYSA-N 0 0 342.399 2.196 40 0 EEABRN O=C(NCCN1CCOCC1)c1ccc2nc(Cl)sc2c1 ZINC000225975318 242083656 /nfs/dbraw/zinc/08/36/56/242083656.db2.gz WXWZMKBBXGFFIN-UHFFFAOYSA-N 0 0 325.821 2.012 40 0 EEABRN CS(=O)(=O)N[C@@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000225947046 242079774 /nfs/dbraw/zinc/07/97/74/242079774.db2.gz WQGXRQKSJMLQKN-HNNXBMFYSA-N 0 0 342.436 2.209 40 0 EEABRN O=C(c1ncccn1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225734146 242010952 /nfs/dbraw/zinc/01/09/52/242010952.db2.gz KUFAHJJXKQVYBY-LLVKDONJSA-N 0 0 338.289 2.184 40 0 EEABRN CSc1ncccc1C(=O)NCCn1cnc2ccsc2c1=O ZINC000225775838 242030823 /nfs/dbraw/zinc/03/08/23/242030823.db2.gz PGMCNIXKQJAFMU-UHFFFAOYSA-N 0 0 346.437 2.005 40 0 EEABRN COc1cc(CNC(=O)[C@](C)(O)CCc2ccccc2)ccc1O ZINC000242263404 243014858 /nfs/dbraw/zinc/01/48/58/243014858.db2.gz XYXAUTQBRQFPTG-LJQANCHMSA-N 0 0 329.396 2.401 40 0 EEABRN COCC[C@H](CO)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000241590525 242996944 /nfs/dbraw/zinc/99/69/44/242996944.db2.gz PFMXPHMMKHCKTR-CQSZACIVSA-N 0 0 348.403 2.379 40 0 EEABRN CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@H]2CCCO2)s1 ZINC000245287250 243102705 /nfs/dbraw/zinc/10/27/05/243102705.db2.gz BQXRPILHIHOGTB-QWHCGFSZSA-N 0 0 325.478 2.302 40 0 EEABRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccoc1Br ZINC000252494129 243805713 /nfs/dbraw/zinc/80/57/13/243805713.db2.gz NLWYNKODDMSEHG-MRVPVSSYSA-N 0 0 331.210 2.417 40 0 EEABRN Cc1cccc(CN2CC3(C2)C[C@H](Oc2cncc(C)n2)CCO3)n1 ZINC000253601074 244034194 /nfs/dbraw/zinc/03/41/94/244034194.db2.gz IPORAHIRHBJQDH-QGZVFWFLSA-N 0 0 340.427 2.301 40 0 EEABRN Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2nccs2)C3)nc1 ZINC000253600640 244034721 /nfs/dbraw/zinc/03/47/21/244034721.db2.gz VDTPLUUNXDQNPX-CQSZACIVSA-N 0 0 345.472 2.335 40 0 EEABRN Cc1nc([C@@H]2CCCN2C(=O)CCCn2ccnc2)cc(N(C)C)n1 ZINC000257201583 244121906 /nfs/dbraw/zinc/12/19/06/244121906.db2.gz AIFMDPXHARLGDS-INIZCTEOSA-N 0 0 342.447 2.191 40 0 EEABRN CC(=O)NCc1c[nH]c([C@@H]2CCN(C(=O)CCc3cccs3)C2)n1 ZINC000257207317 244141381 /nfs/dbraw/zinc/14/13/81/244141381.db2.gz BHEYDVPXWYYAAD-CYBMUJFWSA-N 0 0 346.456 2.056 40 0 EEABRN Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc4n[nH]nc4c3)C2)n1 ZINC000257208837 244143042 /nfs/dbraw/zinc/14/30/42/244143042.db2.gz BNTQLTHPKIMJPH-CQSZACIVSA-N 0 0 336.399 2.060 40 0 EEABRN Cc1cc(=O)[nH]c([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n1 ZINC000257208403 244143645 /nfs/dbraw/zinc/14/36/45/244143645.db2.gz BMAICBMJSJYEAR-CQSZACIVSA-N 0 0 347.802 2.287 40 0 EEABRN O=C(CCc1cccnc1)N1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257208660 244144638 /nfs/dbraw/zinc/14/46/38/244144638.db2.gz BNBKCLIJSZNLFT-GVDBMIGSSA-N 0 0 337.427 2.153 40 0 EEABRN COCCC(=O)N1CCC[C@H](c2cn3cccc3c(N(C)C)n2)C1 ZINC000257214698 244164553 /nfs/dbraw/zinc/16/45/53/244164553.db2.gz CNCHHWIIFFBGSF-AWEZNQCLSA-N 0 0 330.432 2.143 40 0 EEABRN CC(C)(C(=O)N1CCO[C@H](c2cnccn2)C1)c1ccc(F)cc1 ZINC000257215018 244164755 /nfs/dbraw/zinc/16/47/55/244164755.db2.gz COIKMOFUSVLFFI-INIZCTEOSA-N 0 0 329.375 2.493 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257215514 244167126 /nfs/dbraw/zinc/16/71/26/244167126.db2.gz CQMVTZOLNZGFJO-GOSISDBHSA-N 0 0 341.411 2.462 40 0 EEABRN Cn1c(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc2cc(F)ccc21 ZINC000257222343 244188484 /nfs/dbraw/zinc/18/84/84/244188484.db2.gz DSXHGGYDYLSOTF-WMZOPIPTSA-N 0 0 332.375 2.073 40 0 EEABRN Nc1nccnc1C[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000257225554 244197416 /nfs/dbraw/zinc/19/74/16/244197416.db2.gz FGSPQYNNXOAQFW-LBPRGKRZSA-N 0 0 341.415 2.021 40 0 EEABRN O=C1CO[C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2N1Cc1ccccc1 ZINC000257231459 244212461 /nfs/dbraw/zinc/21/24/61/244212461.db2.gz GGTWEVMNTXUUPT-RTBURBONSA-N 0 0 338.407 2.004 40 0 EEABRN C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)c3cnco3)CC[C@@H]2O1 ZINC000257239953 244243032 /nfs/dbraw/zinc/24/30/32/244243032.db2.gz HRNDGKQUSSSYDE-QIIPPGSGSA-N 0 0 343.383 2.158 40 0 EEABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257240433 244243082 /nfs/dbraw/zinc/24/30/82/244243082.db2.gz HTMDLRPHGWENGT-AWEZNQCLSA-N 0 0 330.388 2.419 40 0 EEABRN Cc1c[nH]c([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257255613 244281177 /nfs/dbraw/zinc/28/11/77/244281177.db2.gz KIEIUUQRXBPDSI-MRXNPFEDSA-N 0 0 325.368 2.094 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257255612 244282691 /nfs/dbraw/zinc/28/26/91/244282691.db2.gz KIEIUUQRXBPDSI-INIZCTEOSA-N 0 0 325.368 2.094 40 0 EEABRN c1cnc(C[C@H]2CCC3(CCN(c4cncnc4)CC3)CO2)cn1 ZINC000257264986 244359354 /nfs/dbraw/zinc/35/93/54/244359354.db2.gz LWVNQUMOLAOUEY-QGZVFWFLSA-N 0 0 325.416 2.275 40 0 EEABRN CN(C)c1cncc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 ZINC000257270474 244377696 /nfs/dbraw/zinc/37/76/96/244377696.db2.gz MUIWNVUXRCELAI-MRXNPFEDSA-N 0 0 346.456 2.210 40 0 EEABRN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257261394 244351487 /nfs/dbraw/zinc/35/14/87/244351487.db2.gz LHCUDSCEZNCKAP-OAHLLOKOSA-N 0 0 334.383 2.077 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000020034641 212095320 /nfs/dbraw/zinc/09/53/20/212095320.db2.gz MOHFQPKTHSPCMZ-UHFFFAOYSA-N 0 0 343.408 2.359 40 0 EEABRN CCn1nccc1-c1cc(C)nc(C2CCN(C(=O)COC)CC2)n1 ZINC000257264499 244355559 /nfs/dbraw/zinc/35/55/59/244355559.db2.gz LUQYJDLUTOWKHV-UHFFFAOYSA-N 0 0 343.431 2.021 40 0 EEABRN CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000257263926 244355830 /nfs/dbraw/zinc/35/58/30/244355830.db2.gz LSBXGTZDVJMNQO-HNNXBMFYSA-N 0 0 344.440 2.460 40 0 EEABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 ZINC000257309848 244487559 /nfs/dbraw/zinc/48/75/59/244487559.db2.gz UCQCUACFOBSOMI-AWEZNQCLSA-N 0 0 343.431 2.078 40 0 EEABRN CN1CCCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706148 212055574 /nfs/dbraw/zinc/05/55/74/212055574.db2.gz YHTIFZLTPHPIBV-MRXNPFEDSA-N 0 0 345.491 2.400 40 0 EEABRN COc1cccc(-c2nnc(NC(=O)[C@@H]3CC(C)=NO3)s2)c1OC ZINC000019658217 212054066 /nfs/dbraw/zinc/05/40/66/212054066.db2.gz QYEOKKGYUKJEBL-NSHDSACASA-N 0 0 348.384 2.326 40 0 EEABRN COc1cccc(C(=O)NCc2nnc(-c3scnc3C)o2)c1 ZINC000019563288 212043965 /nfs/dbraw/zinc/04/39/65/212043965.db2.gz ATKFOGQGXJGJOH-UHFFFAOYSA-N 0 0 330.369 2.440 40 0 EEABRN O=C([C@H]1Cc2ccccc2O1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194614694 296154262 /nfs/dbraw/zinc/15/42/62/296154262.db2.gz LLSIFGOWGUHCJY-SJLPKXTDSA-N 0 0 336.391 2.080 40 0 EEABRN COCCS(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000077966356 217006884 /nfs/dbraw/zinc/00/68/84/217006884.db2.gz MWNLBHICLYETSE-UHFFFAOYSA-N 0 0 331.397 2.389 40 0 EEABRN Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)n1 ZINC000077955702 217006986 /nfs/dbraw/zinc/00/69/86/217006986.db2.gz MOGWOWJTJVYKMP-UHFFFAOYSA-N 0 0 342.447 2.020 40 0 EEABRN Cc1ccsc1CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000078030768 217012805 /nfs/dbraw/zinc/01/28/05/217012805.db2.gz CHVISNKPBXTUQQ-CQSZACIVSA-N 0 0 342.420 2.192 40 0 EEABRN Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)c2sccn12 ZINC000019240779 212008624 /nfs/dbraw/zinc/00/86/24/212008624.db2.gz OJUYLJHRKZIOCY-LBPRGKRZSA-N 0 0 329.429 2.458 40 0 EEABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2)cc1 ZINC000019170208 212002667 /nfs/dbraw/zinc/00/26/67/212002667.db2.gz FEFDDCMZQOKGKH-UHFFFAOYSA-N 0 0 332.425 2.474 40 0 EEABRN NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000078546797 217072151 /nfs/dbraw/zinc/07/21/51/217072151.db2.gz ANFNVYVKCNKENX-ZDUSSCGKSA-N 0 0 343.427 2.295 40 0 EEABRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000078611466 217086703 /nfs/dbraw/zinc/08/67/03/217086703.db2.gz ZASRMORCALNKGS-GFCCVEGCSA-N 0 0 330.388 2.302 40 0 EEABRN Cc1c(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C ZINC000078917087 217147996 /nfs/dbraw/zinc/14/79/96/217147996.db2.gz GUFQJQWJENHTGN-CYBMUJFWSA-N 0 0 348.397 2.401 40 0 EEABRN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000078928957 217150197 /nfs/dbraw/zinc/15/01/97/217150197.db2.gz ATUNROVAYXDPLG-DZGCQCFKSA-N 0 0 326.444 2.353 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1C ZINC000079046632 217180326 /nfs/dbraw/zinc/18/03/26/217180326.db2.gz FALAZBMVKHXPAP-MRXNPFEDSA-N 0 0 332.469 2.483 40 0 EEABRN Cc1cnn(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000078999589 217170841 /nfs/dbraw/zinc/17/08/41/217170841.db2.gz MFJAQLHCFYYBJI-SJORKVTESA-N 0 0 346.475 2.127 40 0 EEABRN CN(CC(=O)NCc1ccccn1)Cc1ccccc1N1CCCC1 ZINC000079099676 217192869 /nfs/dbraw/zinc/19/28/69/217192869.db2.gz BTAFFISSRYMCEK-UHFFFAOYSA-N 0 0 338.455 2.430 40 0 EEABRN O=C(NCCc1ccc2c(c1)CCO2)C(=O)Nc1ccc(F)c(F)c1 ZINC000079350672 217212560 /nfs/dbraw/zinc/21/25/60/217212560.db2.gz AVSCIEDYDRJXDB-UHFFFAOYSA-N 0 0 346.333 2.197 40 0 EEABRN COc1ccc(F)cc1C[S@](=O)CC(=O)NCc1ccccc1 ZINC000079324521 217208675 /nfs/dbraw/zinc/20/86/75/217208675.db2.gz FXWIWPNUHXAJPQ-HSZRJFAPSA-N 0 0 335.400 2.399 40 0 EEABRN COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC000079333673 217209278 /nfs/dbraw/zinc/20/92/78/217209278.db2.gz IRIXNYQSOOPVMH-MRXNPFEDSA-N 0 0 339.457 2.367 40 0 EEABRN O=S(=O)(Cc1ccon1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080278629 217293540 /nfs/dbraw/zinc/29/35/40/217293540.db2.gz JDMXMMUFCZDODX-LBPRGKRZSA-N 0 0 341.820 2.026 40 0 EEABRN CCOCCNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000081038114 217355680 /nfs/dbraw/zinc/35/56/80/217355680.db2.gz OYMONIBPEBSRQH-UHFFFAOYSA-N 0 0 328.253 2.134 40 0 EEABRN Cc1nn(C)c2sc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cc12 ZINC000086062507 217688926 /nfs/dbraw/zinc/68/89/26/217688926.db2.gz BXOKRIASURVMMJ-SNVBAGLBSA-N 0 0 333.413 2.111 40 0 EEABRN Cc1ccccc1C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000012407747 211370481 /nfs/dbraw/zinc/37/04/81/211370481.db2.gz RXHVQLWSWQYMBM-UTKZUKDTSA-N 0 0 348.402 2.452 40 0 EEABRN CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1COc1ccc(OC)cc1 ZINC000012276054 211333605 /nfs/dbraw/zinc/33/36/05/211333605.db2.gz XQAXNZQBSZOYTI-WOSRLPQWSA-N 0 0 325.430 2.277 40 0 EEABRN CSc1ncc(C(=O)NCc2nc(-c3ccccc3)no2)cn1 ZINC000012202770 211319844 /nfs/dbraw/zinc/31/98/44/211319844.db2.gz MBLMZHNHDUHDHR-UHFFFAOYSA-N 0 0 327.369 2.179 40 0 EEABRN O=C(Cn1cnc2ccccc2c1=O)N1CCC(c2ccncc2)CC1 ZINC000012117373 211295467 /nfs/dbraw/zinc/29/54/67/211295467.db2.gz VSTZEKZJNVWIIP-UHFFFAOYSA-N 0 0 348.406 2.198 40 0 EEABRN C[C@@H]1CCCN(C(=O)CN2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)C1 ZINC000012114394 211292568 /nfs/dbraw/zinc/29/25/68/211292568.db2.gz XTXXKZQSPJGYCO-GNOXNVMVSA-N 0 0 332.444 2.353 40 0 EEABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000010434050 211173079 /nfs/dbraw/zinc/17/30/79/211173079.db2.gz AGUVPQOLSYSKLE-CQSZACIVSA-N 0 0 326.462 2.230 40 0 EEABRN CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1NC(=O)C(C)C ZINC000010382167 211168741 /nfs/dbraw/zinc/16/87/41/211168741.db2.gz PNYFGPLGGSLTAL-UHFFFAOYSA-N 0 0 345.403 2.359 40 0 EEABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000010112781 211148277 /nfs/dbraw/zinc/14/82/77/211148277.db2.gz ZZDURPXVUXIUNX-UHFFFAOYSA-N 0 0 348.380 2.348 40 0 EEABRN CCN(CC)C(=O)[C@H](NC(=O)c1ncncc1Cl)c1ccccc1 ZINC000095408439 218344627 /nfs/dbraw/zinc/34/46/27/218344627.db2.gz ITJGLOBNCOBKHD-CQSZACIVSA-N 0 0 346.818 2.470 40 0 EEABRN CCOc1cc(C(=O)N(C)C)ccc1NCc1cn2cccnc2n1 ZINC000095418017 218357840 /nfs/dbraw/zinc/35/78/40/218357840.db2.gz KRDUYUONKVWELF-UHFFFAOYSA-N 0 0 339.399 2.442 40 0 EEABRN CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000095440732 218385463 /nfs/dbraw/zinc/38/54/63/218385463.db2.gz MFPNTZNAVWEKLP-OAHLLOKOSA-N 0 0 347.806 2.260 40 0 EEABRN Cn1c2cccc(C(=O)NC[C@H]3COc4ccccc4C3)c2oc1=O ZINC000095441010 218385499 /nfs/dbraw/zinc/38/54/99/218385499.db2.gz SJBDIIFHYZCDON-LBPRGKRZSA-N 0 0 338.363 2.113 40 0 EEABRN Cc1cccc([C@H](NC(=O)N2CCNC(=O)CC2)c2ccccn2)c1 ZINC000095452024 218396564 /nfs/dbraw/zinc/39/65/64/218396564.db2.gz HPHKYZIFQGXYTO-SFHVURJKSA-N 0 0 338.411 2.011 40 0 EEABRN O=C(c1cscn1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042467 218526916 /nfs/dbraw/zinc/52/69/16/218526916.db2.gz SIHKCZBEGSLOPY-OAGGEKHMSA-N 0 0 345.424 2.127 40 0 EEABRN COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccs2)ncn1 ZINC000096064046 218558619 /nfs/dbraw/zinc/55/86/19/218558619.db2.gz RQBNWJLZHJIIHF-NWDGAFQWSA-N 0 0 330.413 2.040 40 0 EEABRN Cn1nc(CNC(=O)c2nc3ccccc3s2)c2c1CCOC2 ZINC000096103986 218596132 /nfs/dbraw/zinc/59/61/32/218596132.db2.gz NREWVFWNORJBTP-UHFFFAOYSA-N 0 0 328.397 2.033 40 0 EEABRN O=C(COCc1nc(-c2ccncc2)no1)NCc1cccc(F)c1 ZINC000096182020 218644353 /nfs/dbraw/zinc/64/43/53/218644353.db2.gz XBLAXSHAWUOTNC-UHFFFAOYSA-N 0 0 342.330 2.104 40 0 EEABRN Cn1cc(CN2CCOC[C@@H]2c2csc(NCC3CC3)n2)cn1 ZINC000096218026 218692866 /nfs/dbraw/zinc/69/28/66/218692866.db2.gz UGQQYKXJBNADNF-OAHLLOKOSA-N 0 0 333.461 2.272 40 0 EEABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1 ZINC000006286172 210612450 /nfs/dbraw/zinc/61/24/50/210612450.db2.gz VTCPJPDCGZFIJX-UHFFFAOYSA-N 0 0 348.424 2.263 40 0 EEABRN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000096409479 218762376 /nfs/dbraw/zinc/76/23/76/218762376.db2.gz APRZVRDIVKSINQ-OUAUKWLOSA-N 0 0 338.395 2.188 40 0 EEABRN O=C(CCC(=O)N1CCOCC1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000096414496 218772493 /nfs/dbraw/zinc/77/24/93/218772493.db2.gz XAXSKSWPFLVIID-ROUUACIJSA-N 0 0 344.455 2.153 40 0 EEABRN COc1ccc(OC)c2c1CN(Cc1cccc3nccn31)C[C@@H]2O ZINC000179613969 532996121 /nfs/dbraw/zinc/99/61/21/532996121.db2.gz BAGNAMVWIJSXAZ-HNNXBMFYSA-N 0 0 339.395 2.401 40 0 EEABRN O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000096419951 218784033 /nfs/dbraw/zinc/78/40/33/218784033.db2.gz UAEYWZXHLCGGAZ-QWHCGFSZSA-N 0 0 338.370 2.414 40 0 EEABRN O=C(c1cc2cccc(F)c2o1)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000096426428 218796702 /nfs/dbraw/zinc/79/67/02/218796702.db2.gz PIWRRQVXBVAVLU-CQSZACIVSA-N 0 0 346.358 2.035 40 0 EEABRN O=S(=O)(CC1CCOCC1)NCc1ncc(-c2ccccc2)o1 ZINC000096427714 218799676 /nfs/dbraw/zinc/79/96/76/218799676.db2.gz ANWHUBDLPZWNJR-UHFFFAOYSA-N 0 0 336.413 2.188 40 0 EEABRN O=C(CCN1C(=O)CCC1=O)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000096432702 218808409 /nfs/dbraw/zinc/80/84/09/218808409.db2.gz LHSNEOQHYMPETK-QGZVFWFLSA-N 0 0 336.338 2.071 40 0 EEABRN CCn1nc(C)c(NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1C ZINC000096433963 218810320 /nfs/dbraw/zinc/81/03/20/218810320.db2.gz LONNVZUWEZVWFR-UHFFFAOYSA-N 0 0 340.391 2.448 40 0 EEABRN C[C@@H](NC(=O)Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCO1 ZINC000096435234 218813362 /nfs/dbraw/zinc/81/33/62/218813362.db2.gz GDRQUJQVODISFK-UKRRQHHQSA-N 0 0 329.404 2.210 40 0 EEABRN CC[C@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CCS1 ZINC000096439252 218818714 /nfs/dbraw/zinc/81/87/14/218818714.db2.gz VTJVDLDVLSYLLM-RYUDHWBXSA-N 0 0 339.427 2.408 40 0 EEABRN C[C@@H](CNC(=O)[C@H]1CCOC1)Oc1ccccc1Br ZINC000096451780 218835190 /nfs/dbraw/zinc/83/51/90/218835190.db2.gz GJWNIQKTNHXOIR-QWRGUYRKSA-N 0 0 328.206 2.369 40 0 EEABRN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCc2ccccc21 ZINC000096473357 218851440 /nfs/dbraw/zinc/85/14/40/218851440.db2.gz UHYBMKNIGUMEHK-LSDHHAIUSA-N 0 0 341.415 2.246 40 0 EEABRN O=C(NCCn1cccc1)NCc1ccn(-c2ccc(F)cc2)n1 ZINC000096486401 218863470 /nfs/dbraw/zinc/86/34/70/218863470.db2.gz DMPPDNGVDMUWQU-UHFFFAOYSA-N 0 0 327.363 2.312 40 0 EEABRN Cc1nc2c(nnn2Cc2ccccc2F)c(NCCCCCO)n1 ZINC000004985354 210349186 /nfs/dbraw/zinc/34/91/86/210349186.db2.gz LPYDAIFSNTZVOX-UHFFFAOYSA-N 0 0 344.394 2.292 40 0 EEABRN CC(C)(C)c1cnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)o1 ZINC000097232479 219001332 /nfs/dbraw/zinc/00/13/32/219001332.db2.gz QSPFAJGPQGWXGQ-KRWDZBQOSA-N 0 0 328.372 2.334 40 0 EEABRN COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCC(C)CC1 ZINC000004847671 210299068 /nfs/dbraw/zinc/29/90/68/210299068.db2.gz JBJBFSZUXKUIDF-INIZCTEOSA-N 0 0 333.411 2.280 40 0 EEABRN Cc1cc(Cl)cc2c1N(C(=O)CCN1C(=O)CCC1=O)CCC2 ZINC000117684071 221081000 /nfs/dbraw/zinc/08/10/00/221081000.db2.gz KAPQEZNTISRIDV-UHFFFAOYSA-N 0 0 334.803 2.467 40 0 EEABRN O=C(N1CC2(C1)OCC[C@@H]2CCOc1cccnc1)N1CCCC1 ZINC000306130827 257919991 /nfs/dbraw/zinc/91/99/91/257919991.db2.gz JQNVCQJQGUZRHY-HNNXBMFYSA-N 0 0 331.416 2.157 40 0 EEABRN CCN(CC)C(=O)c1ccccc1NC(=O)NCC1(C)OCCCO1 ZINC000277015022 257988052 /nfs/dbraw/zinc/98/80/52/257988052.db2.gz WBVQGHCKTMNDPA-UHFFFAOYSA-N 0 0 349.431 2.443 40 0 EEABRN CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OCC)cc1 ZINC000027028626 258005348 /nfs/dbraw/zinc/00/53/48/258005348.db2.gz YAPQXORASKDGDU-UONOGXRCSA-N 0 0 348.428 2.307 40 0 EEABRN O=C1NCC[C@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000179047712 258071822 /nfs/dbraw/zinc/07/18/22/258071822.db2.gz VPWJJUZUMZCUHI-CQSZACIVSA-N 0 0 349.232 2.189 40 0 EEABRN Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2C(C)C)on1 ZINC000012186885 135693110 /nfs/dbraw/zinc/69/31/10/135693110.db2.gz LBKZQKRWSPYBNQ-UHFFFAOYSA-N 0 0 329.404 2.265 40 0 EEABRN CCOC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218615017 286181445 /nfs/dbraw/zinc/18/14/45/286181445.db2.gz CXRFJJSEEOVFIG-SQNIBIBYSA-N 0 0 349.427 2.499 40 0 EEABRN Cc1cc(C(=O)NCC2(CO)COC2)cc(Cl)c1Br ZINC000285455386 274734606 /nfs/dbraw/zinc/73/46/06/274734606.db2.gz ZQPBKKYPMRTKNP-UHFFFAOYSA-N 0 0 348.624 2.150 40 0 EEABRN CCOC(=O)[C@]1(C)C(=O)C[C@H]2c3nc4ccccc4cc3CN2C1=O ZINC000001729775 276295977 /nfs/dbraw/zinc/29/59/77/276295977.db2.gz OFUJHSIUARGGNL-IFXJQAMLSA-N 0 0 338.363 2.160 40 0 EEABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)cn1 ZINC000096181250 276714566 /nfs/dbraw/zinc/71/45/66/276714566.db2.gz NGGNXKQLIMZNAV-DOTOQJQBSA-N 0 0 326.400 2.370 40 0 EEABRN CC(C)(C)c1ccc([C@@H](O)CNC(=O)CCn2ccccc2=O)cc1 ZINC000096407879 277268513 /nfs/dbraw/zinc/26/85/13/277268513.db2.gz QZGJSOQBQPTCIV-KRWDZBQOSA-N 0 0 342.439 2.386 40 0 EEABRN CC(C)C(NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)C(C)C ZINC000224496895 278696960 /nfs/dbraw/zinc/69/69/60/278696960.db2.gz ROJVVAFVSWZJDO-MRXNPFEDSA-N 0 0 340.489 2.416 40 0 EEABRN CCOc1ccc([C@H]2[C@@H](C(C)=O)[C@](C)(O)CC(=O)[C@@H]2C(C)=O)cc1 ZINC000020065425 279965272 /nfs/dbraw/zinc/96/52/72/279965272.db2.gz FIGGGDJENHANHJ-WJFTUGDTSA-N 0 0 332.396 2.303 40 0 EEABRN O=C(N[C@H]1CCOc2ccccc21)c1cnc2sccn2c1=O ZINC000044868087 279978915 /nfs/dbraw/zinc/97/89/15/279978915.db2.gz ARAFOIZQJRWNTA-LBPRGKRZSA-N 0 0 327.365 2.010 40 0 EEABRN CCn1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000057355376 288712065 /nfs/dbraw/zinc/71/20/65/288712065.db2.gz GGOMYOFZJUBJQO-YOEHRIQHSA-N 0 0 326.400 2.451 40 0 EEABRN C[C@@]12CCCN1C(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000253630258 289221763 /nfs/dbraw/zinc/22/17/63/289221763.db2.gz QXGJPXQWBIOROK-IBGZPJMESA-N 0 0 347.459 2.374 40 0 EEABRN CN(CCCS(C)(=O)=O)Cc1c(F)cccc1Br ZINC000093216920 289633606 /nfs/dbraw/zinc/63/36/06/289633606.db2.gz MWQFTMPTLNKTRV-UHFFFAOYSA-N 0 0 338.242 2.455 40 0 EEABRN Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000155502107 302250416 /nfs/dbraw/zinc/25/04/16/302250416.db2.gz MDRKHBVGNVDPRA-KGLIPLIRSA-N 0 0 345.399 2.407 40 0 EEABRN COc1cccc([C@H]2CN(Cc3nnc4n3CCCC4)CCO2)c1 ZINC000330113930 311725209 /nfs/dbraw/zinc/72/52/09/311725209.db2.gz DKBCFULYXQTMKR-MRXNPFEDSA-N 0 0 328.416 2.197 40 0 EEABRN C[C@@H]1CN(C(=O)Cc2noc(/C=C/C3(C)CCOCC3)n2)C[C@@H](C)O1 ZINC000333804898 312199256 /nfs/dbraw/zinc/19/92/56/312199256.db2.gz GWLXRQSFTUZHRD-KOABKASLSA-N 0 0 349.431 2.078 40 0 EEABRN Cc1ccccc1-n1cc(C(=O)N2CCOCC23CCCC3)nn1 ZINC000334110622 312240881 /nfs/dbraw/zinc/24/08/81/312240881.db2.gz BNHOHTNLOISIOX-UHFFFAOYSA-N 0 0 326.400 2.361 40 0 EEABRN O=C(NCc1cc(F)ccc1F)N1CCCN(C(=O)C2CC2)CC1 ZINC000097103018 323321444 /nfs/dbraw/zinc/32/14/44/323321444.db2.gz RDYYMLURKKKOPI-UHFFFAOYSA-N 0 0 337.370 2.119 40 0 EEABRN O=C(Nc1cncnc1N1CCCC1)c1ccc(-c2ncon2)cc1 ZINC000097376753 323322110 /nfs/dbraw/zinc/32/21/10/323322110.db2.gz DITCFYWERNHMED-UHFFFAOYSA-N 0 0 336.355 2.379 40 0 EEABRN CN(C1CCCCC1)S(=O)(=O)NCc1nccc(C(F)F)n1 ZINC000329243706 465278562 /nfs/dbraw/zinc/27/85/62/465278562.db2.gz TWUCUDAPKJWTEB-UHFFFAOYSA-N 0 0 334.392 2.013 40 0 EEABRN Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)[C@H](C)O2 ZINC000001362221 462579936 /nfs/dbraw/zinc/57/99/36/462579936.db2.gz QWPWONQYZXXYPL-LBPRGKRZSA-N 0 0 330.409 2.487 40 0 EEABRN CC(=O)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000001741627 462586989 /nfs/dbraw/zinc/58/69/89/462586989.db2.gz ZVEZUPAPHSPCQQ-UHFFFAOYSA-N 0 0 333.369 2.181 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc([S@](C)=O)c1 ZINC000088388897 462625923 /nfs/dbraw/zinc/62/59/23/462625923.db2.gz NWDUJIDUWOCQSZ-RKNYENMMSA-N 0 0 347.444 2.235 40 0 EEABRN CCOc1ccc(N2CC(=O)Nc3ccccc3NCC2=O)cc1 ZINC000004092423 462627584 /nfs/dbraw/zinc/62/75/84/462627584.db2.gz OAUAHIZTNCWECU-UHFFFAOYSA-N 0 0 325.368 2.483 40 0 EEABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 ZINC000005528747 462661647 /nfs/dbraw/zinc/66/16/47/462661647.db2.gz XUMHBVTYEAPBCF-LLVKDONJSA-N 0 0 330.837 2.019 40 0 EEABRN CC(=O)Nc1nn(S(=O)(=O)c2ccc(F)cc2)c(=S)s1 ZINC000006022584 462675171 /nfs/dbraw/zinc/67/51/71/462675171.db2.gz VCGLXZDCMDUFCQ-UHFFFAOYSA-N 0 0 333.391 2.009 40 0 EEABRN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(C)ncn2)CC1 ZINC000075166365 462690513 /nfs/dbraw/zinc/69/05/13/462690513.db2.gz IKFMVIOVOQZREP-UHFFFAOYSA-N 0 0 341.415 2.456 40 0 EEABRN CCCNC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000006879672 462710067 /nfs/dbraw/zinc/71/00/67/462710067.db2.gz LPBQRJGFHVJLAE-WQLSENKSSA-N 0 0 349.368 2.157 40 0 EEABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000007387710 462733749 /nfs/dbraw/zinc/73/37/49/462733749.db2.gz RCKQMGAKLUTDFE-UHFFFAOYSA-N 0 0 343.349 2.492 40 0 EEABRN Nc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccc(F)cc1 ZINC000007499855 462738313 /nfs/dbraw/zinc/73/83/13/462738313.db2.gz KJYZHDCPAMHLQH-UHFFFAOYSA-N 0 0 339.417 2.462 40 0 EEABRN O=C([C@H]1CCCN1Cc1cc(Cl)nc(Cl)c1)N1CCOCC1 ZINC000075646313 462745062 /nfs/dbraw/zinc/74/50/62/462745062.db2.gz ITKOCUMAAWPWLF-GFCCVEGCSA-N 0 0 344.242 2.212 40 0 EEABRN CCc1nc(CNC(=O)N2CCN(c3ncccc3F)CC2)cs1 ZINC000090562533 462799603 /nfs/dbraw/zinc/79/96/03/462799603.db2.gz SXDQOEOAQVLGHU-UHFFFAOYSA-N 0 0 349.435 2.271 40 0 EEABRN COc1ccccc1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000009994188 462811177 /nfs/dbraw/zinc/81/11/77/462811177.db2.gz VGNYAZHKZARRRE-UHFFFAOYSA-N 0 0 346.814 2.324 40 0 EEABRN CCc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000010541331 462820689 /nfs/dbraw/zinc/82/06/89/462820689.db2.gz RZDMYLCDXVMLMO-CQSZACIVSA-N 0 0 338.473 2.274 40 0 EEABRN Cc1nc2ncccc2c([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)n1 ZINC000013228035 462887744 /nfs/dbraw/zinc/88/77/44/462887744.db2.gz YIRRGMQIWIKIAN-HIFRSBDPSA-N 0 0 326.400 2.218 40 0 EEABRN COc1ccc(CCNC(=S)Nc2nccc(C)n2)cc1OC ZINC000013786280 462903257 /nfs/dbraw/zinc/90/32/57/462903257.db2.gz MOYYWFYVTPCZJJ-UHFFFAOYSA-N 0 0 332.429 2.331 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000133320588 462919111 /nfs/dbraw/zinc/91/91/11/462919111.db2.gz IKKYJOAGVLBQOK-NSHDSACASA-N 0 0 334.235 2.167 40 0 EEABRN CC(=O)N1CCC[C@@H](c2nnc(-c3ccc(N4CCCC4)nc3)o2)C1 ZINC000019017141 463013309 /nfs/dbraw/zinc/01/33/09/463013309.db2.gz QMDXXSSKGZLWTG-OAHLLOKOSA-N 0 0 341.415 2.458 40 0 EEABRN O=C(CSCc1ccncc1)NC[C@@H](O)c1c(F)cccc1F ZINC000077634571 463014720 /nfs/dbraw/zinc/01/47/20/463014720.db2.gz GIZNALKNOALNSP-CQSZACIVSA-N 0 0 338.379 2.443 40 0 EEABRN CN(C)Cc1cc(C2CCN(C(=O)CC3(O)CCCCC3)CC2)[nH]n1 ZINC000019708948 463020666 /nfs/dbraw/zinc/02/06/66/463020666.db2.gz FZYOTYLWKNOSCG-UHFFFAOYSA-N 0 0 348.491 2.263 40 0 EEABRN Cc1n[nH]cc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000051382517 463034668 /nfs/dbraw/zinc/03/46/68/463034668.db2.gz CODUZFLDFOKECR-MRXNPFEDSA-N 0 0 340.427 2.195 40 0 EEABRN Cc1ccc(F)c(-n2nnnc2CN(CCO)C2CCCCC2)c1 ZINC000095395101 463074605 /nfs/dbraw/zinc/07/46/05/463074605.db2.gz COHQTBQDZMSFHB-UHFFFAOYSA-N 0 0 333.411 2.237 40 0 EEABRN COc1c(Br)c(C(=O)NCc2ccc(C)o2)nn1C ZINC000096181053 463193096 /nfs/dbraw/zinc/19/30/96/463193096.db2.gz RNWKWLGAVHUHDO-UHFFFAOYSA-N 0 0 328.166 2.023 40 0 EEABRN CN(C)C(=O)N1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12 ZINC000096037109 463142699 /nfs/dbraw/zinc/14/26/99/463142699.db2.gz UJBDERJBASXTTK-UHFFFAOYSA-N 0 0 339.443 2.126 40 0 EEABRN COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096039260 463144126 /nfs/dbraw/zinc/14/41/26/463144126.db2.gz CTRDGXSAMMAXDX-APWZRJJASA-N 0 0 343.427 2.231 40 0 EEABRN Cn1cccc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039837 463145018 /nfs/dbraw/zinc/14/50/18/463145018.db2.gz ZSUJIFZEZXIXMV-PKOBYXMFSA-N 0 0 332.444 2.463 40 0 EEABRN CCOC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2c1cnn2C ZINC000096044623 463148616 /nfs/dbraw/zinc/14/86/16/463148616.db2.gz VUVYMCXITRYFQZ-OAHLLOKOSA-N 0 0 343.427 2.352 40 0 EEABRN Cc1occc1C(=O)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000096048370 463152195 /nfs/dbraw/zinc/15/21/95/463152195.db2.gz HVKVKPNGPNFNIY-KDOFPFPSSA-N 0 0 342.399 2.254 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@]2(C1)COCCN(c1cccnc1)C2 ZINC000096049584 463153413 /nfs/dbraw/zinc/15/34/13/463153413.db2.gz URQVOXANGXXCPM-IBGZPJMESA-N 0 0 344.459 2.216 40 0 EEABRN Cc1ccc(N2C[C@]3(CCN(C(=O)C4CCOCC4)C3)CC2=O)s1 ZINC000096050897 463154610 /nfs/dbraw/zinc/15/46/10/463154610.db2.gz IIHOMKFOPIPWHW-GOSISDBHSA-N 0 0 348.468 2.439 40 0 EEABRN COC[C@@H]1CN(C(=O)CCc2cccc(OC)c2)Cc2c1cnn2C ZINC000096068258 463166326 /nfs/dbraw/zinc/16/63/26/463166326.db2.gz LETOEBVYLRALCK-HNNXBMFYSA-N 0 0 343.427 2.134 40 0 EEABRN CCCS(=O)(=O)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096074077 463167035 /nfs/dbraw/zinc/16/70/35/463167035.db2.gz HQCNWCKRSOARTC-OAHLLOKOSA-N 0 0 342.486 2.307 40 0 EEABRN O=C(Nc1ccc2c(c1)C1(CN2CCF)CCOCC1)[C@@H]1CCOC1 ZINC000096090524 463170179 /nfs/dbraw/zinc/17/01/79/463170179.db2.gz VZHYFAZRAQBTAZ-CQSZACIVSA-N 0 0 348.418 2.499 40 0 EEABRN CCc1cccc(NC(=O)N2CC[C@H]3[C@H]2CC(=O)N3CCOC)c1 ZINC000096081238 463170356 /nfs/dbraw/zinc/17/03/56/463170356.db2.gz PQKFNLLOGDGSIP-JKSUJKDBSA-N 0 0 331.416 2.103 40 0 EEABRN Fc1cnc(N2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106211 463173799 /nfs/dbraw/zinc/17/37/99/463173799.db2.gz BVTBHQGWRWAKEW-OAHLLOKOSA-N 0 0 344.390 2.465 40 0 EEABRN COC[C@H]1COCCC12CCN(C(=O)C1CCSCC1)CC2 ZINC000096106349 463174081 /nfs/dbraw/zinc/17/40/81/463174081.db2.gz YIFUXOWDNJVAGF-HNNXBMFYSA-N 0 0 327.490 2.421 40 0 EEABRN COC[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(OC)c1)C2 ZINC000096109142 463178463 /nfs/dbraw/zinc/17/84/63/463178463.db2.gz XIGMZWBVFJQXMW-CJNGLKHVSA-N 0 0 325.430 2.132 40 0 EEABRN O=C(c1ccc(F)cc1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000096159523 463190492 /nfs/dbraw/zinc/19/04/92/463190492.db2.gz MZUSXYUGQFXNFD-LJQANCHMSA-N 0 0 339.370 2.490 40 0 EEABRN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000096181925 463194780 /nfs/dbraw/zinc/19/47/80/463194780.db2.gz KAHHZMGCZUKYFU-FUHWJXTLSA-N 0 0 341.386 2.447 40 0 EEABRN O=C([C@H]1Cn2nccc2CN(Cc2ccsc2)C1)N1CCCC1 ZINC000096188807 463200790 /nfs/dbraw/zinc/20/07/90/463200790.db2.gz QAILZMSCZFKKNH-OAHLLOKOSA-N 0 0 330.457 2.199 40 0 EEABRN O=C(N[C@H]1CCc2c(ccc(=O)n2Cc2cccnc2)C1)c1ccoc1 ZINC000096196592 463201541 /nfs/dbraw/zinc/20/15/41/463201541.db2.gz LKEJYBUQEMYKCS-KRWDZBQOSA-N 0 0 349.390 2.172 40 0 EEABRN Cc1cc(C(=O)N2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c(C)o1 ZINC000096209823 463213455 /nfs/dbraw/zinc/21/34/55/463213455.db2.gz QODZXOLASWTYBR-DNVCBOLYSA-N 0 0 346.427 2.283 40 0 EEABRN COc1ncccc1CN1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096209631 463214030 /nfs/dbraw/zinc/21/40/30/463214030.db2.gz GXLWCFVYUNNKRB-JZXOWHBKSA-N 0 0 341.411 2.296 40 0 EEABRN Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)o1 ZINC000096209461 463214262 /nfs/dbraw/zinc/21/42/62/463214262.db2.gz IPDRJVRUWCQJNG-DOTOQJQBSA-N 0 0 330.384 2.154 40 0 EEABRN O=C(c1cscn1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 ZINC000096218455 463214838 /nfs/dbraw/zinc/21/48/38/463214838.db2.gz WUVOAGQGQGLZSX-ZDUSSCGKSA-N 0 0 345.428 2.111 40 0 EEABRN CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1nccs1)C2 ZINC000096238086 463222874 /nfs/dbraw/zinc/22/28/74/463222874.db2.gz KPWWFNJXZKBMML-HNNXBMFYSA-N 0 0 334.470 2.132 40 0 EEABRN COc1cccc(N2C[C@@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)c1 ZINC000096238947 463224270 /nfs/dbraw/zinc/22/42/70/463224270.db2.gz XPFCQBBGXUOZDR-IBGZPJMESA-N 0 0 343.427 2.340 40 0 EEABRN O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCCCC3)C[C@H]1O2 ZINC000096253066 463228269 /nfs/dbraw/zinc/22/82/69/463228269.db2.gz KYMQZLSFCJFGBL-IXDOHACOSA-N 0 0 349.475 2.034 40 0 EEABRN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2[nH]1 ZINC000096375432 463237525 /nfs/dbraw/zinc/23/75/25/463237525.db2.gz RBIPRAZQWNDFND-PBWFPOADSA-N 0 0 332.425 2.348 40 0 EEABRN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cn2ccnc2C)cc1 ZINC000096405202 463239033 /nfs/dbraw/zinc/23/90/33/463239033.db2.gz OZHAHHLQHNOHJF-KRWDZBQOSA-N 0 0 326.400 2.189 40 0 EEABRN C[C@H](NC(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccc(F)cc1 ZINC000096413458 463246105 /nfs/dbraw/zinc/24/61/05/463246105.db2.gz CBYAJXIVOOLJJE-APXPCNQMSA-N 0 0 348.399 2.379 40 0 EEABRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCN1CCOCC1 ZINC000096413270 463246115 /nfs/dbraw/zinc/24/61/15/463246115.db2.gz OAKAZROFAJEVKW-AWEZNQCLSA-N 0 0 339.867 2.245 40 0 EEABRN C[C@H](CNC(=O)NCC[C@H](O)C(F)(F)F)N1CCc2ccccc21 ZINC000096413280 463246168 /nfs/dbraw/zinc/24/61/68/463246168.db2.gz NVMOATXMONBEQF-RISCZKNCSA-N 0 0 345.365 2.050 40 0 EEABRN Cc1ccc(CCNC(=O)NCC(C)(C)CCS(C)(=O)=O)cc1 ZINC000096415594 463247873 /nfs/dbraw/zinc/24/78/73/463247873.db2.gz OAUXLEOECQWCFW-UHFFFAOYSA-N 0 0 340.489 2.298 40 0 EEABRN Cc1c2ccccc2sc1C(=O)N1CCN([C@H]2CCOC2=O)CC1 ZINC000096421188 463253156 /nfs/dbraw/zinc/25/31/56/463253156.db2.gz PRSASZBBZIVYQD-AWEZNQCLSA-N 0 0 344.436 2.283 40 0 EEABRN Cn1cc(C(=O)NC2CCN(c3ccnc4ccsc43)CC2)cn1 ZINC000096427341 463257302 /nfs/dbraw/zinc/25/73/02/463257302.db2.gz WQEYTCZTXGZQBB-UHFFFAOYSA-N 0 0 341.440 2.429 40 0 EEABRN CC(=O)NC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 ZINC000096427848 463258213 /nfs/dbraw/zinc/25/82/13/463258213.db2.gz JPHMANRQDPOBDL-UHFFFAOYSA-N 0 0 338.473 2.273 40 0 EEABRN CN1C[C@H](Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1=O ZINC000096429361 463259194 /nfs/dbraw/zinc/25/91/94/463259194.db2.gz AQZIARHRDVXSPS-SNVBAGLBSA-N 0 0 337.305 2.200 40 0 EEABRN CC(C)(C)c1ncc(/C=C/C(=O)N[C@]2(C)CCS(=O)(=O)C2)s1 ZINC000096430528 463260232 /nfs/dbraw/zinc/26/02/32/463260232.db2.gz WMTZWNFQVWWQTF-LLYBFZRZSA-N 0 0 342.486 2.147 40 0 EEABRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cnccn1 ZINC000096432944 463261214 /nfs/dbraw/zinc/26/12/14/463261214.db2.gz RPFMHLDFRABJFT-UHFFFAOYSA-N 0 0 325.416 2.250 40 0 EEABRN CO[C@H](CNC(=O)CCn1ccccc1=O)c1cccc(Cl)c1 ZINC000096431915 463261374 /nfs/dbraw/zinc/26/13/74/463261374.db2.gz MMVSVGABWJFFRS-OAHLLOKOSA-N 0 0 334.803 2.396 40 0 EEABRN O=C(Nc1cccnc1)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000096434103 463262195 /nfs/dbraw/zinc/26/21/95/463262195.db2.gz QOIXDELXQSTBLO-BRWVUGGUSA-N 0 0 336.395 2.360 40 0 EEABRN COCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000096437044 463265201 /nfs/dbraw/zinc/26/52/01/463265201.db2.gz UNABEPSGZUYYMQ-PRHODGIISA-N 0 0 333.201 2.129 40 0 EEABRN COC[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(C)o1 ZINC000096445143 463269903 /nfs/dbraw/zinc/26/99/03/463269903.db2.gz LWFOSJFRQDFLFV-HNNXBMFYSA-N 0 0 344.415 2.098 40 0 EEABRN Cn1cc(-c2nc(C[S@](=O)C[C@H]3CCCCO3)cs2)cn1 ZINC000096452477 463273089 /nfs/dbraw/zinc/27/30/89/463273089.db2.gz MCCBJJVBPIKIOR-LRTDBIEQSA-N 0 0 325.459 2.361 40 0 EEABRN Cc1cccc2[nH]cc(CCNS(=O)(=O)CC3CCOCC3)c21 ZINC000096453010 463274458 /nfs/dbraw/zinc/27/44/58/463274458.db2.gz UWJSCXWGOKGVPC-UHFFFAOYSA-N 0 0 336.457 2.365 40 0 EEABRN CNS(=O)(=O)CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000096459697 463276729 /nfs/dbraw/zinc/27/67/29/463276729.db2.gz HZAUUVPRDLSCLI-HNNXBMFYSA-N 0 0 344.864 2.237 40 0 EEABRN Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000096461522 463276765 /nfs/dbraw/zinc/27/67/65/463276765.db2.gz FPQIXEXPNRMSPU-SJORKVTESA-N 0 0 341.459 2.458 40 0 EEABRN CCc1onc(C)c1NC(=O)C(=O)N[C@H](c1ccccn1)C(C)C ZINC000096485381 463283908 /nfs/dbraw/zinc/28/39/08/463283908.db2.gz GGJJYPZHMFSHHS-AWEZNQCLSA-N 0 0 330.388 2.392 40 0 EEABRN CCc1[nH]nc(C(=O)N[C@@H](C(=O)OC)c2ccccc2F)c1Cl ZINC000096487679 463285244 /nfs/dbraw/zinc/28/52/44/463285244.db2.gz PLPBDIAIAQDERM-GFCCVEGCSA-N 0 0 339.754 2.409 40 0 EEABRN CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)o2)c1 ZINC000096494140 463287584 /nfs/dbraw/zinc/28/75/84/463287584.db2.gz BRNCMBNYFHNXRM-KRWDZBQOSA-N 0 0 342.395 2.396 40 0 EEABRN COCc1ccc([C@@H]2CCCN2C(=O)NCCc2nccn2C)o1 ZINC000096503271 463292723 /nfs/dbraw/zinc/29/27/23/463292723.db2.gz UJSZCNMMGACSAO-AWEZNQCLSA-N 0 0 332.404 2.249 40 0 EEABRN CC(C)(C)c1nc(N2CCCN(C(=O)c3ccncc3)CC2)no1 ZINC000096502918 463293114 /nfs/dbraw/zinc/29/31/14/463293114.db2.gz ZQMCDRWQNPFSJA-UHFFFAOYSA-N 0 0 329.404 2.115 40 0 EEABRN Cn1ccsc1=NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000030991182 463320619 /nfs/dbraw/zinc/32/06/19/463320619.db2.gz BTDOCCFVTOUAFQ-JMNMEQFQSA-N 0 0 335.816 2.220 40 0 EEABRN C[C@H](c1cn(-c2ccccc2)nn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000097228039 463349972 /nfs/dbraw/zinc/34/99/72/463349972.db2.gz NOVPDNXEKPHGGR-BXUZGUMPSA-N 0 0 326.322 2.327 40 0 EEABRN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(C(=O)CCC(C)C)CC1 ZINC000097372627 463355830 /nfs/dbraw/zinc/35/58/30/463355830.db2.gz UEUUOBZRQUQVRP-ZDUSSCGKSA-N 0 0 334.464 2.237 40 0 EEABRN COc1ccc(CC(=O)NCCc2ccc(O)c(OC)c2)cc1O ZINC000142315573 463360289 /nfs/dbraw/zinc/36/02/89/463360289.db2.gz HATIEXNDDUZONH-UHFFFAOYSA-N 0 0 331.368 2.016 40 0 EEABRN CCOc1ccc(CNC(=O)[C@H]2CCCN2c2ncccn2)cc1C ZINC000081718288 463483435 /nfs/dbraw/zinc/48/34/35/463483435.db2.gz DALVLKJVZUHZBH-MRXNPFEDSA-N 0 0 340.427 2.469 40 0 EEABRN COc1cc(OC)cc(-n2nnnc2CN(C)[C@H]2C=CCCC2)c1 ZINC000083248869 463543740 /nfs/dbraw/zinc/54/37/40/463543740.db2.gz MSLWAPZLHCBTGZ-ZDUSSCGKSA-N 0 0 329.404 2.220 40 0 EEABRN COCCNC(=O)[C@@H]1C[C@@]2(CO1)CN(CCC(C)C)c1ccccc12 ZINC000107274896 463564067 /nfs/dbraw/zinc/56/40/67/463564067.db2.gz NIJZCFHMUDVGGV-ICSRJNTNSA-N 0 0 346.471 2.342 40 0 EEABRN C[C@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)c1cccnc1 ZINC000043786071 463657012 /nfs/dbraw/zinc/65/70/12/463657012.db2.gz BSGJDFSPHVPWML-ZDUSSCGKSA-N 0 0 342.399 2.431 40 0 EEABRN O=C(NCc1cccs1)NCC1CCN(c2ncccn2)CC1 ZINC000043977788 463663688 /nfs/dbraw/zinc/66/36/88/463663688.db2.gz MCORFQJOVKOAEW-UHFFFAOYSA-N 0 0 331.445 2.254 40 0 EEABRN CCc1cc(CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)on1 ZINC000073935635 463672039 /nfs/dbraw/zinc/67/20/39/463672039.db2.gz LNDRSGFBAHYCQQ-UHFFFAOYSA-N 0 0 330.388 2.454 40 0 EEABRN COc1ccc(OCCNS(=O)(=O)Cc2ccccc2F)cc1 ZINC000170657115 463690844 /nfs/dbraw/zinc/69/08/44/463690844.db2.gz IVRSIQUBIJVUCL-UHFFFAOYSA-N 0 0 339.388 2.333 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC000170663661 463691852 /nfs/dbraw/zinc/69/18/52/463691852.db2.gz IDYUHBCUDMCZOY-AWEZNQCLSA-N 0 0 348.834 2.020 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2ccnc2C(C)C)n1 ZINC000257213190 463756129 /nfs/dbraw/zinc/75/61/29/463756129.db2.gz CGMUOFPAGFJLPX-CQSZACIVSA-N 0 0 331.420 2.028 40 0 EEABRN C[C@@H](C(=O)NCc1cccnc1)n1cc(COc2ccccc2)nn1 ZINC000257173138 463756605 /nfs/dbraw/zinc/75/66/05/463756605.db2.gz DOYXWKLITQPLIH-AWEZNQCLSA-N 0 0 337.383 2.130 40 0 EEABRN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCC(N)=O)ccc1OC2(C)C ZINC000257275345 463757494 /nfs/dbraw/zinc/75/74/94/463757494.db2.gz NOYPVXBOSPRCKW-RAIGVLPGSA-N 0 0 346.427 2.298 40 0 EEABRN Cc1cc2nc([C@H]3CCCCN3C(=O)Cn3ccnc3C)ccn2n1 ZINC000257284941 463761377 /nfs/dbraw/zinc/76/13/77/463761377.db2.gz PEYRCRNRYZGHGF-MRXNPFEDSA-N 0 0 338.415 2.296 40 0 EEABRN CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@H+](CC(=O)[O-])C[C@H]3C[C@@H]21 ZINC000257286635 463763319 /nfs/dbraw/zinc/76/33/19/463763319.db2.gz PMHQSRPQYLWKDL-RKHKHNFPSA-N 0 0 347.411 2.416 40 0 EEABRN Cc1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000257291956 463765047 /nfs/dbraw/zinc/76/50/47/463765047.db2.gz QJKFIZPMZWHIIV-KRWDZBQOSA-N 0 0 329.375 2.375 40 0 EEABRN O=C(C1CCCC1)N1CC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257294927 463765442 /nfs/dbraw/zinc/76/54/42/463765442.db2.gz QWHPAZJZLCYQAE-ZDUSSCGKSA-N 0 0 325.416 2.448 40 0 EEABRN CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(OC)cc1OC ZINC000257302781 463768407 /nfs/dbraw/zinc/76/84/07/463768407.db2.gz SEJZCYRQRWKMJU-PBHICJAKSA-N 0 0 334.416 2.140 40 0 EEABRN CCn1cc(C(=O)N(C)[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000257301381 463769220 /nfs/dbraw/zinc/76/92/20/463769220.db2.gz RYGRCBGPKKJDEE-KZNAEPCWSA-N 0 0 343.427 2.336 40 0 EEABRN c1ccc(N2CCN(Cc3cnc([C@H]4CCCCO4)nc3)CC2)nc1 ZINC000257306045 463770928 /nfs/dbraw/zinc/77/09/28/463770928.db2.gz SSQULAVLHYHVRL-QGZVFWFLSA-N 0 0 339.443 2.435 40 0 EEABRN Cc1ccccc1CN1CCO[C@@H](c2nccc(CN(C)C)n2)C1 ZINC000257310334 463771552 /nfs/dbraw/zinc/77/15/52/463771552.db2.gz UEQUEIOKYZOSCU-GOSISDBHSA-N 0 0 326.444 2.420 40 0 EEABRN Cc1oc2c(c1C(=O)N(C)[C@@H]1CC[C@@H](n3ccnc3)[C@@H]1O)CCCC2 ZINC000257309179 463772062 /nfs/dbraw/zinc/77/20/62/463772062.db2.gz TZWDBGYHXXJDOM-IIDMSEBBSA-N 0 0 343.427 2.500 40 0 EEABRN O=C(CCc1cccnc1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257313618 463773219 /nfs/dbraw/zinc/77/32/19/463773219.db2.gz UTJNOKSXPMAHEQ-INIZCTEOSA-N 0 0 326.400 2.362 40 0 EEABRN CCc1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)no1 ZINC000257311530 463773235 /nfs/dbraw/zinc/77/32/35/463773235.db2.gz UJYCZQFTVVBBLK-KRWDZBQOSA-N 0 0 342.399 2.245 40 0 EEABRN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257312201 463773621 /nfs/dbraw/zinc/77/36/21/463773621.db2.gz UMVULJYKSHYBGG-ZFWWWQNUSA-N 0 0 329.318 2.461 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257310810 463773908 /nfs/dbraw/zinc/77/39/08/463773908.db2.gz UGRLQTBQMPRAFB-AWEZNQCLSA-N 0 0 341.411 2.448 40 0 EEABRN COc1ccccc1C(=O)N1CC[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257331372 463780649 /nfs/dbraw/zinc/78/06/49/463780649.db2.gz XSPAUOXRTTVOQJ-CYBMUJFWSA-N 0 0 328.416 2.110 40 0 EEABRN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257331410 463780702 /nfs/dbraw/zinc/78/07/02/463780702.db2.gz XSTAWTJBSVGDQX-LLVKDONJSA-N 0 0 341.383 2.331 40 0 EEABRN Nc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)cc2ccnn21 ZINC000257334883 463782187 /nfs/dbraw/zinc/78/21/87/463782187.db2.gz YHTWUVNKUOZBAD-ZDUSSCGKSA-N 0 0 339.374 2.470 40 0 EEABRN Nc1nccnc1C[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000257342199 463787113 /nfs/dbraw/zinc/78/71/13/463787113.db2.gz ZNNILLCTBABHEV-CYBMUJFWSA-N 0 0 344.390 2.058 40 0 EEABRN COc1ccc(C2(C(=O)N3CCOC[C@H]3c3nc(C)c[nH]3)CC2)cc1 ZINC000257344363 463787924 /nfs/dbraw/zinc/78/79/24/463787924.db2.gz ZWWVEPOUVLVXLO-INIZCTEOSA-N 0 0 341.411 2.358 40 0 EEABRN CN(C)c1cccc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257342434 463787972 /nfs/dbraw/zinc/78/79/72/463787972.db2.gz ZOPBUZFYFAKANP-OAHLLOKOSA-N 0 0 331.441 2.352 40 0 EEABRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(F)c(Br)c1 ZINC000194086210 463788855 /nfs/dbraw/zinc/78/88/55/463788855.db2.gz OJFIOCNCCMYQFK-RDDDGLTNSA-N 0 0 344.184 2.234 40 0 EEABRN Cc1cnc(N2CCN(C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000194322279 463835858 /nfs/dbraw/zinc/83/58/58/463835858.db2.gz VJSCAFGPSALYLT-CYBMUJFWSA-N 0 0 340.265 2.311 40 0 EEABRN Cc1cc(NC(=O)CS(=O)(=O)[C@H]2CCCc3ccccc32)on1 ZINC000195040489 463980058 /nfs/dbraw/zinc/98/00/58/463980058.db2.gz JDTIWIXGVBWPNZ-AWEZNQCLSA-N 0 0 334.397 2.414 40 0 EEABRN COc1ccc(C)cc1S(=O)(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000195430241 464053425 /nfs/dbraw/zinc/05/34/25/464053425.db2.gz VCBQCCAQECWPBL-HNNXBMFYSA-N 0 0 349.456 2.435 40 0 EEABRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000195566119 464078933 /nfs/dbraw/zinc/07/89/33/464078933.db2.gz PRNNPQPSJKJTHY-NHCYSSNCSA-N 0 0 346.349 2.346 40 0 EEABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000222904080 464134222 /nfs/dbraw/zinc/13/42/22/464134222.db2.gz UWWNQNVXFNONIK-XJKSGUPXSA-N 0 0 336.407 2.248 40 0 EEABRN COCCNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000222951747 464134668 /nfs/dbraw/zinc/13/46/68/464134668.db2.gz KKRHFIGVKCTSHA-VBKFSLOCSA-N 0 0 328.368 2.122 40 0 EEABRN Cc1cc2c(cc1S(=O)(=O)N(C)c1ccccc1)oc(=O)n2C ZINC000223340180 464141170 /nfs/dbraw/zinc/14/11/70/464141170.db2.gz ISAFQCRWSGNYIR-UHFFFAOYSA-N 0 0 332.381 2.265 40 0 EEABRN C[C@H](C(=O)NCC1=CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000223703233 464145291 /nfs/dbraw/zinc/14/52/91/464145291.db2.gz DZRNQGDLQAEFCO-CQSZACIVSA-N 0 0 336.457 2.458 40 0 EEABRN CCC(C)(C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224096665 464148253 /nfs/dbraw/zinc/14/82/53/464148253.db2.gz AFWZMSHHOJLYDH-JTQLQIEISA-N 0 0 348.415 2.424 40 0 EEABRN O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 ZINC000224218781 464150226 /nfs/dbraw/zinc/15/02/26/464150226.db2.gz ANNNARBRGIRHPR-UHFFFAOYSA-N 0 0 347.806 2.288 40 0 EEABRN CCC(CC)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225422039 464158846 /nfs/dbraw/zinc/15/88/46/464158846.db2.gz PVYJKFOFQYNEIJ-UHFFFAOYSA-N 0 0 346.880 2.406 40 0 EEABRN C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NC1CCOCC1 ZINC000225433302 464159946 /nfs/dbraw/zinc/15/99/46/464159946.db2.gz CMGQETHPCBXDKO-JTQLQIEISA-N 0 0 334.347 2.443 40 0 biogenic,in-vitro EEABRN CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000225506095 464166938 /nfs/dbraw/zinc/16/69/38/464166938.db2.gz DLBLDFTWKOSAIP-CQSZACIVSA-N 0 0 346.456 2.217 40 0 EEABRN CCOC(C)(C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 ZINC000225647300 464177969 /nfs/dbraw/zinc/17/79/69/464177969.db2.gz AWNAVPVHARUCCU-UHFFFAOYSA-N 0 0 336.432 2.151 40 0 EEABRN O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)C1CC1 ZINC000173133198 464196096 /nfs/dbraw/zinc/19/60/96/464196096.db2.gz HTFCDKVCGVPBSE-KRWDZBQOSA-N 0 0 344.436 2.318 40 0 EEABRN C[C@H](NCC1OCCO1)c1cc2c(cc1Br)OCCO2 ZINC000180244496 464272893 /nfs/dbraw/zinc/27/28/93/464272893.db2.gz DETXDNINRCYHQV-VIFPVBQESA-N 0 0 344.205 2.244 40 0 EEABRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1[S@](=O)CC ZINC000180581694 464341377 /nfs/dbraw/zinc/34/13/77/464341377.db2.gz FDHCZAXJLBKULV-RKNYENMMSA-N 0 0 346.456 2.233 40 0 EEABRN O=S(=O)(CC[C@H]1CCCO1)c1cc2c(cc1Cl)OCCO2 ZINC000188934373 464399425 /nfs/dbraw/zinc/39/94/25/464399425.db2.gz CMSCPQHEIFZXGF-SNVBAGLBSA-N 0 0 332.805 2.454 40 0 EEABRN CC(C)(C)n1ncnc1CN1CCC(CN2CCCCC2=O)CC1 ZINC000241231102 464450587 /nfs/dbraw/zinc/45/05/87/464450587.db2.gz KSAGEQRVCIIGSO-UHFFFAOYSA-N 0 0 333.480 2.258 40 0 EEABRN COC(=O)c1ccc(CN(C)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000245225408 464468893 /nfs/dbraw/zinc/46/88/93/464468893.db2.gz UQMUGRDCTYNTAZ-HZPDHXFCSA-N 0 0 344.411 2.038 40 0 EEABRN CC(C)C(=O)N1CCCN(C(=O)NCCCc2ccc(O)cc2)CC1 ZINC000265503767 464584092 /nfs/dbraw/zinc/58/40/92/464584092.db2.gz ZVXJBOOERJVXEL-UHFFFAOYSA-N 0 0 347.459 2.225 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000182653067 464701928 /nfs/dbraw/zinc/70/19/28/464701928.db2.gz UFBPOMJEYZNQRS-CABCVRRESA-N 0 0 347.463 2.274 40 0 EEABRN CCc1nc(C2CCN(Cc3nnc(-c4ccco4)o3)CC2)n[nH]1 ZINC000190700777 464705395 /nfs/dbraw/zinc/70/53/95/464705395.db2.gz ASTWIXKSVBJAQO-UHFFFAOYSA-N 0 0 328.376 2.390 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(c4ccc(C)nn4)C3)C2)c1 ZINC000247894484 464714191 /nfs/dbraw/zinc/71/41/91/464714191.db2.gz GXCDOEMUQLAVCW-QGZVFWFLSA-N 0 0 340.427 2.443 40 0 EEABRN Cc1ccc(N2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)nn1 ZINC000247953694 464716460 /nfs/dbraw/zinc/71/64/60/464716460.db2.gz ZEOUKNJXUTXGRO-KRWDZBQOSA-N 0 0 340.427 2.443 40 0 EEABRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000248547378 464761744 /nfs/dbraw/zinc/76/17/44/464761744.db2.gz FDVJTDQUPCYHDZ-BQFCYCMXSA-N 0 0 348.443 2.430 40 0 EEABRN COC(=O)c1oc(CN2CCSC[C@H]2c2cnn(C)c2)cc1C ZINC000191211240 464799825 /nfs/dbraw/zinc/79/98/25/464799825.db2.gz HZVODCHLOPWNHT-AWEZNQCLSA-N 0 0 335.429 2.398 40 0 EEABRN CS[C@H](C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000176798203 464854251 /nfs/dbraw/zinc/85/42/51/464854251.db2.gz IUOLZUIYCYZLQO-CYBMUJFWSA-N 0 0 338.448 2.181 40 0 EEABRN C[C@H]1CCN(C(=O)c2cc(F)cc3cccnc32)CCS1(=O)=O ZINC000192323444 464906623 /nfs/dbraw/zinc/90/66/23/464906623.db2.gz XHECZJYZBDHVDY-NSHDSACASA-N 0 0 336.388 2.023 40 0 EEABRN Cc1nc2ccc(NS(=O)(=O)CCc3ccc(C)cc3)cn2n1 ZINC000252489671 464967151 /nfs/dbraw/zinc/96/71/51/464967151.db2.gz JWENKCVAMYXEON-UHFFFAOYSA-N 0 0 330.413 2.331 40 0 EEABRN CCn1ncnc1C[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000252497117 464969447 /nfs/dbraw/zinc/96/94/47/464969447.db2.gz PZMVTSCWTVGGHR-IEBWSBKVSA-N 0 0 341.459 2.374 40 0 EEABRN CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000252502846 464972318 /nfs/dbraw/zinc/97/23/18/464972318.db2.gz UVJDILQKYIWSLK-MRXNPFEDSA-N 0 0 347.459 2.387 40 0 EEABRN O=C(c1n[nH]c2c1CCCCC2)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000252501746 464972382 /nfs/dbraw/zinc/97/23/82/464972382.db2.gz UJDRKAUZMIQDMV-CQSZACIVSA-N 0 0 347.459 2.336 40 0 EEABRN COC(=O)[C@@H](CNC(=O)c1ccc2nccn2c1)c1ccc(F)cc1 ZINC000192767317 464993394 /nfs/dbraw/zinc/99/33/94/464993394.db2.gz RXUVLDMOBRRHOQ-HNNXBMFYSA-N 0 0 341.342 2.160 40 0 EEABRN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(=O)c(OC)co1 ZINC000253395259 464998935 /nfs/dbraw/zinc/99/89/35/464998935.db2.gz IJLKITYSZLQTBW-GFCCVEGCSA-N 0 0 331.372 2.232 40 0 EEABRN CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2cccnc2)c1C ZINC000253419921 465007728 /nfs/dbraw/zinc/00/77/28/465007728.db2.gz NGXAKQPFJLZDGS-UHFFFAOYSA-N 0 0 334.445 2.116 40 0 EEABRN COc1cccc([C@@H]2CN(Cc3nnc4n3CCCC4)CCO2)c1 ZINC000330113929 465537078 /nfs/dbraw/zinc/53/70/78/465537078.db2.gz DKBCFULYXQTMKR-INIZCTEOSA-N 0 0 328.416 2.197 40 0 EEABRN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)cc1 ZINC000330834821 465822419 /nfs/dbraw/zinc/82/24/19/465822419.db2.gz QYPDTGCKUMPGFC-BLLLJJGKSA-N 0 0 340.445 2.136 40 0 EEABRN O=C(N[C@H]1CCCC(F)(F)C1)c1cccnc1N1CCOCC1 ZINC000331363629 466049725 /nfs/dbraw/zinc/04/97/25/466049725.db2.gz AMGOUZFTWVSKFO-LBPRGKRZSA-N 0 0 325.359 2.226 40 0 EEABRN O=S(=O)(c1sccc1Cl)N1CCC[C@@H](n2ccnn2)C1 ZINC000331797223 466250041 /nfs/dbraw/zinc/25/00/41/466250041.db2.gz IYOOIDUOWBSRFL-SECBINFHSA-N 0 0 332.838 2.019 40 0 EEABRN O=C(N1CC2(C1)OCC[C@H]2CCOc1ncccc1F)N1CCCC1 ZINC000306125402 466488406 /nfs/dbraw/zinc/48/84/06/466488406.db2.gz CPFUOZWPVQPJIV-CQSZACIVSA-N 0 0 349.406 2.296 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)o1 ZINC000306130301 466489889 /nfs/dbraw/zinc/48/98/89/466489889.db2.gz JBXSXRFQCBFMMV-HNNXBMFYSA-N 0 0 338.415 2.319 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 ZINC000306137603 466492301 /nfs/dbraw/zinc/49/23/01/466492301.db2.gz RBASRDUHTKRYNE-INIZCTEOSA-N 0 0 331.412 2.440 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OCC ZINC000408588789 466681801 /nfs/dbraw/zinc/68/18/01/466681801.db2.gz YSLLTFFZKASGOU-UHFFFAOYSA-N 0 0 328.390 2.094 40 0 EEABRN CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000409188104 466686349 /nfs/dbraw/zinc/68/63/49/466686349.db2.gz AMYFKVIDPHNASS-UHFFFAOYSA-N 0 0 342.461 2.011 40 0 EEABRN COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C)cn1 ZINC000390834188 467413865 /nfs/dbraw/zinc/41/38/65/467413865.db2.gz UJBZNUZWQYPZET-GFCCVEGCSA-N 0 0 346.408 2.176 40 0 EEABRN Cc1cccc(N2CCN(c3ccc(SCCO)nn3)CC2)c1 ZINC000390835303 467415076 /nfs/dbraw/zinc/41/50/76/467415076.db2.gz JWDREHHKMJMMRB-UHFFFAOYSA-N 0 0 330.457 2.196 40 0 EEABRN C[C@@]1(O)CCN(C(=O)C2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289711 467941654 /nfs/dbraw/zinc/94/16/54/467941654.db2.gz CMBZNXHAEUPTRO-ABSDTBQOSA-N 0 0 342.439 2.016 40 0 biogenic,in-vitro EEABRN Cc1nc[nH]c1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 ZINC000575406707 468142385 /nfs/dbraw/zinc/14/23/85/468142385.db2.gz ZRKPJOKISQIUHZ-OAHLLOKOSA-N 0 0 337.383 2.018 40 0 EEABRN O=C(NC1CCN(c2cnsn2)CC1)[C@@H]1CCc2ccccc2O1 ZINC000575617132 468150639 /nfs/dbraw/zinc/15/06/39/468150639.db2.gz ZNRQKMGFIOWEQX-HNNXBMFYSA-N 0 0 344.440 2.017 40 0 EEABRN Cc1occc1C(=O)N1CC2(C1)C[C@@H](COc1cccnc1)CN2C ZINC000585093763 468963556 /nfs/dbraw/zinc/96/35/56/468963556.db2.gz DSIILEHCTSINEV-OAHLLOKOSA-N 0 0 341.411 2.208 40 0 EEABRN C[C@H]1c2ncc(CCOc3ccncc3)n2CCN1Cc1cn[nH]c1 ZINC000585097457 468965196 /nfs/dbraw/zinc/96/51/96/468965196.db2.gz KEHDFSITGHBWML-AWEZNQCLSA-N 0 0 338.415 2.200 40 0 EEABRN Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2cccnc2)no1 ZINC000585098148 468967668 /nfs/dbraw/zinc/96/76/68/468967668.db2.gz UYNNAMSKWCMRIM-KRWDZBQOSA-N 0 0 339.399 2.428 40 0 EEABRN O=C(N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1)C1(F)CCC1 ZINC000585100944 468968648 /nfs/dbraw/zinc/96/86/48/468968648.db2.gz KMUGFDZATOJWQE-GOSISDBHSA-N 0 0 345.418 2.315 40 0 EEABRN CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)C3CC(F)C3)C2)C1=O ZINC000585106825 468972455 /nfs/dbraw/zinc/97/24/55/468972455.db2.gz IXNAEVNWHVENNA-IADFQQGMSA-N 0 0 330.403 2.209 40 0 EEABRN Cc1cc(C(=O)N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)no1 ZINC000585105521 468972463 /nfs/dbraw/zinc/97/24/63/468972463.db2.gz YTJRFMAMJQWQRG-CQSZACIVSA-N 0 0 345.424 2.295 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)N1CCCCC1)CN(Cc1ccco1)C2 ZINC000585110850 468973829 /nfs/dbraw/zinc/97/38/29/468973829.db2.gz QEJULFAFFLBZRB-HNNXBMFYSA-N 0 0 328.416 2.125 40 0 EEABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cccnc1 ZINC000585111192 468974689 /nfs/dbraw/zinc/97/46/89/468974689.db2.gz ILUKIMCRNNALPY-GOSISDBHSA-N 0 0 348.406 2.370 40 0 EEABRN CC(C)CC(=O)N1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000585112907 468976527 /nfs/dbraw/zinc/97/65/27/468976527.db2.gz YFSUCVXLHMWNHO-HNNXBMFYSA-N 0 0 347.463 2.008 40 0 EEABRN CC(C)[C@H](NS(=O)(=O)Cc1cccc(F)c1)[C@H](O)C(F)(F)F ZINC000585139604 468988781 /nfs/dbraw/zinc/98/87/81/468988781.db2.gz OJRHJAJMEFSJSY-RYUDHWBXSA-N 0 0 343.342 2.193 40 0 EEABRN Cc1nc(-c2ccc(C(=O)N[C@H](C)C3N=NC(=O)N3C)cc2)cs1 ZINC000585141012 468990600 /nfs/dbraw/zinc/99/06/00/468990600.db2.gz NYMPCYAXNOTZLB-SECBINFHSA-N 0 0 343.412 2.444 40 0 EEABRN Cc1csc(-c2cc(C)nc([C@H]3CCCN3S(C)(=O)=O)n2)n1 ZINC000585179626 468993898 /nfs/dbraw/zinc/99/38/98/468993898.db2.gz OTNDIMUDBNWVRG-GFCCVEGCSA-N 0 0 338.458 2.313 40 0 EEABRN O=C(Cn1ccc(C2CC2)n1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 ZINC000585276068 469000431 /nfs/dbraw/zinc/00/04/31/469000431.db2.gz LSFIYQXPEUEGOB-IEBWSBKVSA-N 0 0 339.439 2.213 40 0 EEABRN Cc1ccc(C[C@H]2CCN(C(=O)CCCn3ccnc3)C[C@H]2O)cc1 ZINC000585278779 469004729 /nfs/dbraw/zinc/00/47/29/469004729.db2.gz GEXAJENQKDYARO-RTBURBONSA-N 0 0 341.455 2.424 40 0 EEABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)C3CCOCC3)[C@H]2O)cc1 ZINC000585286267 469009299 /nfs/dbraw/zinc/00/92/99/469009299.db2.gz WEFIFLMWLLLRQK-KBAYOESNSA-N 0 0 333.428 2.056 40 0 EEABRN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)/C=C/c1ccco1 ZINC000585288374 469010039 /nfs/dbraw/zinc/01/00/39/469010039.db2.gz XZATUEGFMCVMNA-YUNHCNHMSA-N 0 0 346.427 2.358 40 0 EEABRN CC1(C)C[C@]2(CCCN2C(=O)Cc2ccc(F)cc2)[C@H](CC(N)=O)O1 ZINC000585287984 469010163 /nfs/dbraw/zinc/01/01/63/469010163.db2.gz KRUDJTXGOVJUGF-HNAYVOBHSA-N 0 0 348.418 2.172 40 0 EEABRN COc1cc(CN(C(C)=O)C2CCCCC2)ccc1OCC(N)=O ZINC000000505824 533771027 /nfs/dbraw/zinc/77/10/27/533771027.db2.gz RXLJOOLMIHFTFJ-UHFFFAOYSA-N 0 0 334.416 2.241 40 0 EEABRN COc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000131227472 534010746 /nfs/dbraw/zinc/01/07/46/534010746.db2.gz CEVKFERSBXBKMZ-MRXNPFEDSA-N 0 0 325.412 2.418 40 0 EEABRN O=C(NCCNc1nnc(C(F)(F)F)s1)c1ccc(O)cc1 ZINC000153713607 534365237 /nfs/dbraw/zinc/36/52/37/534365237.db2.gz VRCYYHRVGXFWQE-UHFFFAOYSA-N 0 0 332.307 2.104 40 0 EEABRN CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1ccccn1 ZINC000047620568 521546027 /nfs/dbraw/zinc/54/60/27/521546027.db2.gz WBKRWFXFRFSHSP-LBPRGKRZSA-N 0 0 334.397 2.281 40 0 EEABRN CCSCCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000253394366 521701592 /nfs/dbraw/zinc/70/15/92/521701592.db2.gz CQSZTQIOEMOKOG-LBPRGKRZSA-N 0 0 325.482 2.159 40 0 EEABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000005459925 524473347 /nfs/dbraw/zinc/47/33/47/524473347.db2.gz PDENIOBYCJGEPN-QGZVFWFLSA-N 0 0 338.407 2.360 40 0 EEABRN O=C(NCCc1nnc(-c2cccnc2)[nH]1)C1(c2ccccc2)CC1 ZINC000012143006 526457739 /nfs/dbraw/zinc/45/77/39/526457739.db2.gz IWTSOVNSQUHYPJ-UHFFFAOYSA-N 0 0 333.395 2.257 40 0 EEABRN Cc1sc(=O)n(CCC(=O)NC[C@](C)(O)c2cccs2)c1C ZINC000077616091 526868862 /nfs/dbraw/zinc/86/88/62/526868862.db2.gz YNHGDDKUBQOSRQ-HNNXBMFYSA-N 0 0 340.470 2.002 40 0 EEABRN CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113956742 529368848 /nfs/dbraw/zinc/36/88/48/529368848.db2.gz NBRICVVWTMAVBU-ZJUUUORDSA-N 0 0 334.388 2.034 40 0 EEABRN Cn1cc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)nn1 ZINC000931509719 1207401024 /nfs/dbraw/zinc/40/10/24/1207401024.db2.gz SHAAWSWPMDOFAW-SNVBAGLBSA-N 0 0 332.433 2.172 40 0 EEABRN COc1ccc(CNC(=O)COC(=O)Cc2ccccc2OC)cc1 ZINC000007035324 1351911827 /nfs/dbraw/zinc/91/18/27/1351911827.db2.gz OLKPYHXPGLVBDQ-UHFFFAOYSA-N 0 0 343.379 2.106 40 0 EEABRN CC(C)(C)c1nn2c(nnc2SCC(=O)c2ccccc2)[nH]c1=O ZINC000005144267 1351272190 /nfs/dbraw/zinc/27/21/90/1351272190.db2.gz MJBIPXLBTAFQEA-UHFFFAOYSA-N 0 0 343.412 2.085 40 0 EEABRN O=C([C@@H]1CCCn2nccc21)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC000906254301 783780277 /nfs/dbraw/zinc/78/02/77/783780277.db2.gz CISGUUVPLOREPJ-SECBINFHSA-N 0 0 332.310 2.024 40 0 EEABRN Cc1ccnc(C2CCN(C(=O)N[C@H]3CC34CCOCC4)CC2)n1 ZINC001548453963 1124295967 /nfs/dbraw/zinc/29/59/67/1124295967.db2.gz ASHFJBVWNIPBCR-HNNXBMFYSA-N 0 0 330.432 2.243 40 0 EEABRN COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCc1ccccn1 ZINC000056650634 214383089 /nfs/dbraw/zinc/38/30/89/214383089.db2.gz YVKGXOQGCOKCKN-UHFFFAOYSA-N 0 0 342.399 2.156 40 0 EEABRN Cc1cc(CN2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@H]3C2)no1 ZINC000097953833 219064764 /nfs/dbraw/zinc/06/47/64/219064764.db2.gz BHRQXKPFNYGYHR-JQHSSLGASA-N 0 0 347.459 2.221 40 0 EEABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000004472164 210195332 /nfs/dbraw/zinc/19/53/32/210195332.db2.gz PUQPWNXALTUKII-MRACZJACSA-N 0 0 349.364 2.403 40 0 EEABRN CNC(=O)CNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000172216762 529864462 /nfs/dbraw/zinc/86/44/62/529864462.db2.gz SOPAUVWEFUYNNA-UHFFFAOYSA-N 0 0 339.701 2.149 40 0 EEABRN CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000101273910 219120518 /nfs/dbraw/zinc/12/05/18/219120518.db2.gz CKBFKYJINXEPIM-ZDUSSCGKSA-N 0 0 337.397 2.014 40 0 EEABRN Cn1nccc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000047728698 213866254 /nfs/dbraw/zinc/86/62/54/213866254.db2.gz FGOUSVSJYSQPQW-UHFFFAOYSA-N 0 0 347.806 2.287 40 0 EEABRN C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(C(F)(F)F)c1 ZINC000044866332 213654015 /nfs/dbraw/zinc/65/40/15/213654015.db2.gz OQMGZOQNPVWGFE-SECBINFHSA-N 0 0 332.347 2.416 40 0 EEABRN Cc1cc(C)n(CCNC(=O)C2(c3ccccc3)CCOCC2)n1 ZINC000044158939 213610145 /nfs/dbraw/zinc/61/01/45/213610145.db2.gz BHYBNGNLURRTQV-UHFFFAOYSA-N 0 0 327.428 2.365 40 0 EEABRN Cc1cc(C(=O)NCC(=O)NC2CC2)c(C)n1Cc1ccccc1 ZINC000040475475 213311387 /nfs/dbraw/zinc/31/13/87/213311387.db2.gz GBTJAOVMEUHUGS-UHFFFAOYSA-N 0 0 325.412 2.162 40 0 EEABRN COc1ccc(NCC(=O)N2CCNC2=O)cc1Cc1ccccc1 ZINC000040474044 213311518 /nfs/dbraw/zinc/31/15/18/213311518.db2.gz JGZDTHAIWUBLJZ-UHFFFAOYSA-N 0 0 339.395 2.250 40 0 EEABRN Cc1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 ZINC000040326328 213292574 /nfs/dbraw/zinc/29/25/74/213292574.db2.gz WCIFFKGJQFZFRN-GFCCVEGCSA-N 0 0 336.438 2.035 40 0 EEABRN C[C@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCS(=O)(=O)C1 ZINC000069602191 215495196 /nfs/dbraw/zinc/49/51/96/215495196.db2.gz MVBINPVYSQTQDA-INIZCTEOSA-N 0 0 337.372 2.393 40 0 EEABRN O=C(Cc1csc(NC(=O)C2CCCC2)n1)NCC(F)(F)F ZINC000038739454 213223380 /nfs/dbraw/zinc/22/33/80/213223380.db2.gz FOVWAWKLXCWAEK-UHFFFAOYSA-N 0 0 335.351 2.493 40 0 EEABRN CCCc1c(C(=O)NCc2ccco2)cnn1-c1nc(C)cc(=O)[nH]1 ZINC000038670898 213219155 /nfs/dbraw/zinc/21/91/55/213219155.db2.gz BJPXMAGDZCFLNP-UHFFFAOYSA-N 0 0 341.371 2.152 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C ZINC000226687473 291098989 /nfs/dbraw/zinc/09/89/89/291098989.db2.gz DQHABSYGKRBQEU-ZDUSSCGKSA-N 0 0 341.429 2.110 40 0 EEABRN CC1CCN(C(=O)c2cc(C(=O)N3CCC(C)CC3)n(C)n2)CC1 ZINC000036617953 213104225 /nfs/dbraw/zinc/10/42/25/213104225.db2.gz MXBOOVRUIPURGF-UHFFFAOYSA-N 0 0 332.448 2.164 40 0 EEABRN CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000000414088 209577838 /nfs/dbraw/zinc/57/78/38/209577838.db2.gz OBPKWMZTSPIWOJ-LBPRGKRZSA-N 0 0 342.436 2.141 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)Nc2ccccc2)[C@H]1c1cccc(F)c1 ZINC000072241686 216080646 /nfs/dbraw/zinc/08/06/46/216080646.db2.gz BLQNTSZMEKEBQX-SJORKVTESA-N 0 0 328.343 2.363 40 0 EEABRN O=C(NCc1ccco1)[C@@H]1C=CCN1C(=O)NCc1ccccc1 ZINC000072324147 216151769 /nfs/dbraw/zinc/15/17/69/216151769.db2.gz ZHIIMBBTRBGEOL-INIZCTEOSA-N 0 0 325.368 2.046 40 0 EEABRN Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2c2ncccn2)n1 ZINC000072360332 216166142 /nfs/dbraw/zinc/16/61/42/216166142.db2.gz GKERSRWDNYANJB-CQSZACIVSA-N 0 0 334.387 2.450 40 0 EEABRN Cc1nc([C@H]2CCCN2CCOc2ccc(F)cc2)ncc1C(N)=O ZINC000072345430 216159788 /nfs/dbraw/zinc/15/97/88/216159788.db2.gz AVUNCIUOBRZVRV-MRXNPFEDSA-N 0 0 344.390 2.239 40 0 EEABRN NC(=O)c1cccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)c1 ZINC000072379594 216180169 /nfs/dbraw/zinc/18/01/69/216180169.db2.gz ROSHNMDGHMKIPL-INIZCTEOSA-N 0 0 346.394 2.374 40 0 EEABRN CNc1cc([C@@H]2CN(CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387841 216188533 /nfs/dbraw/zinc/18/85/33/216188533.db2.gz TUDKYVQJADXUPL-KRWDZBQOSA-N 0 0 328.416 2.279 40 0 EEABRN Cc1nc(NCC2CCCCC2)cc([C@H]2CCN2S(C)(=O)=O)n1 ZINC000072387670 216186585 /nfs/dbraw/zinc/18/65/85/216186585.db2.gz AWWXMVKVXAIPEM-OAHLLOKOSA-N 0 0 338.477 2.484 40 0 EEABRN COc1ccc(CC(=O)N2N=C(C)C[C@]2(O)c2ccncc2)cc1 ZINC000000048021 209389132 /nfs/dbraw/zinc/38/91/32/209389132.db2.gz DHBPKNJLJHFMKY-SFHVURJKSA-N 0 0 325.368 2.086 40 0 EEABRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H]1C ZINC000190035509 238184027 /nfs/dbraw/zinc/18/40/27/238184027.db2.gz UWMRCBZLDMXZDA-RKDXNWHRSA-N 0 0 348.296 2.419 40 0 EEABRN Cc1ccsc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000072534002 216270360 /nfs/dbraw/zinc/27/03/60/216270360.db2.gz FMFDQIWBNZAQRC-AWEZNQCLSA-N 0 0 336.457 2.300 40 0 EEABRN Cc1nc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cs1 ZINC000072552240 216273525 /nfs/dbraw/zinc/27/35/25/216273525.db2.gz OASYHGWTEQIILK-AWEZNQCLSA-N 0 0 335.433 2.491 40 0 EEABRN C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1csc2ccccc21 ZINC000096426440 296038913 /nfs/dbraw/zinc/03/89/13/296038913.db2.gz NHVWHMXASIYYQG-SNVBAGLBSA-N 0 0 340.470 2.406 40 0 EEABRN C[C@@H](CC(=O)N1CCCC[C@H]1CNC(N)=O)Cc1cccc(F)c1 ZINC000073260850 216370709 /nfs/dbraw/zinc/37/07/09/216370709.db2.gz DNKBZCXPDMQKQY-CJNGLKHVSA-N 0 0 335.423 2.444 40 0 EEABRN O=C(NCc1c(F)cccc1OC(F)F)c1ccc2nncn2c1 ZINC000073280157 216374307 /nfs/dbraw/zinc/37/43/07/216374307.db2.gz ZSNZIZIYNWPLJO-UHFFFAOYSA-N 0 0 336.273 2.400 40 0 EEABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000257234684 283702178 /nfs/dbraw/zinc/70/21/78/283702178.db2.gz GUQMVKVGSHKFRR-LBPRGKRZSA-N 0 0 331.445 2.378 40 0 EEABRN CCO[C@@H]1C[C@@](O)(CNc2ccc3nnc(C(F)F)n3n2)C1(C)C ZINC000225592623 535446793 /nfs/dbraw/zinc/44/67/93/535446793.db2.gz SCYWCBKHIXNNAS-RFAUZJTJSA-N 0 0 341.362 2.040 40 0 EEABRN CNC(=O)[C@H](NC(=O)CNc1c(F)cccc1Cl)c1ccccc1 ZINC000193106935 240022256 /nfs/dbraw/zinc/02/22/56/240022256.db2.gz BSVYOQJLRJFDMN-OAHLLOKOSA-N 0 0 349.793 2.495 40 0 EEABRN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000195566096 241014790 /nfs/dbraw/zinc/01/47/90/241014790.db2.gz FRASQJUHHOGUSS-SWLSCSKDSA-N 0 0 349.406 2.031 40 0 EEABRN O=C(NCc1ccccc1)N1CCN(c2cc(C3CC3)ncn2)CC1 ZINC000207957686 241063630 /nfs/dbraw/zinc/06/36/30/241063630.db2.gz MNAQBZZXOTVZDP-UHFFFAOYSA-N 0 0 337.427 2.386 40 0 EEABRN Cc1ncn(CC(=O)N2CCS[C@@H](c3ccco3)CC2)c(=O)c1C ZINC000219405594 241386290 /nfs/dbraw/zinc/38/62/90/241386290.db2.gz VMJHRTGTXPPXTP-OAHLLOKOSA-N 0 0 347.440 2.160 40 0 EEABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218604482 241335332 /nfs/dbraw/zinc/33/53/32/241335332.db2.gz BGVRUTQGUXDWCA-YDHLFZDLSA-N 0 0 345.461 2.035 40 0 EEABRN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(C(=O)OC)CC1 ZINC000219560604 241396621 /nfs/dbraw/zinc/39/66/21/241396621.db2.gz DUEUBQBVVGFPJB-CQSZACIVSA-N 0 0 335.400 2.264 40 0 EEABRN Cc1cnc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cn1 ZINC000220763736 241454989 /nfs/dbraw/zinc/45/49/89/241454989.db2.gz OQAJSSMGUYFRSY-GFCCVEGCSA-N 0 0 327.388 2.140 40 0 EEABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000223863916 241701418 /nfs/dbraw/zinc/70/14/18/241701418.db2.gz RVGOPJUYFGJWDO-UHFFFAOYSA-N 0 0 337.372 2.399 40 0 EEABRN CN1c2cccnc2CN(C(=O)NC2CCCCC2)CC[C@H]1CO ZINC000225497053 241899383 /nfs/dbraw/zinc/89/93/83/241899383.db2.gz SWIUPMJVRFVMRQ-HNNXBMFYSA-N 0 0 332.448 2.127 40 0 biogenic,in-vitro EEABRN COc1nccnc1O[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000225807423 242046725 /nfs/dbraw/zinc/04/67/25/242046725.db2.gz PCPLFQIEPPQGPQ-MRXNPFEDSA-N 0 0 341.411 2.488 40 0 EEABRN CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 ZINC000225878346 242068033 /nfs/dbraw/zinc/06/80/33/242068033.db2.gz KMYSMOZCHMOUFG-UHFFFAOYSA-N 0 0 334.493 2.373 40 0 EEABRN O=C(CCN1C(=O)CCC1=O)N1CCC(Cc2ccccc2)CC1 ZINC000225874468 242068540 /nfs/dbraw/zinc/06/85/40/242068540.db2.gz JLOUUFOPQPCUQV-UHFFFAOYSA-N 0 0 328.412 2.007 40 0 EEABRN COc1cnc2ccccc2c1C(=O)NCC(=O)Nc1cccnc1 ZINC000225777977 242030700 /nfs/dbraw/zinc/03/07/00/242030700.db2.gz GUDIAFURABIVSU-UHFFFAOYSA-N 0 0 336.351 2.007 40 0 EEABRN COc1cccc(CNC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)n1 ZINC000225788474 242036524 /nfs/dbraw/zinc/03/65/24/242036524.db2.gz CTEGHSILRWWPML-CYBMUJFWSA-N 0 0 348.428 2.138 40 0 EEABRN O=C(NCc1ncnn1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000252498909 243817789 /nfs/dbraw/zinc/81/77/89/243817789.db2.gz RQBIOQPEAYACIH-CVEARBPZSA-N 0 0 341.415 2.120 40 0 EEABRN CC(=O)N[C@@]1(C)CC2(CCN(C(C)=O)CC2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257205860 244132336 /nfs/dbraw/zinc/13/23/36/244132336.db2.gz BAWNSCKJMSXARO-PILAGYSTSA-N 0 0 336.476 2.487 40 0 EEABRN O=C(COc1ccccc1Cl)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257200677 244119203 /nfs/dbraw/zinc/11/92/03/244119203.db2.gz AELLFFKRUHRVRN-GJZGRUSLSA-N 0 0 349.818 2.140 40 0 EEABRN Cc1nccc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)n1 ZINC000257209843 244147386 /nfs/dbraw/zinc/14/73/86/244147386.db2.gz BSCQOCZBEHCLKR-AWEZNQCLSA-N 0 0 348.414 2.493 40 0 EEABRN Cc1noc(C)c1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 ZINC000257221328 244185298 /nfs/dbraw/zinc/18/52/98/244185298.db2.gz DONYARZIIVAXAQ-CYBMUJFWSA-N 0 0 329.404 2.149 40 0 EEABRN COCCC(=O)N1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257227715 244204136 /nfs/dbraw/zinc/20/41/36/244204136.db2.gz FQPDNQYDUPFEPZ-LBPRGKRZSA-N 0 0 347.444 2.338 40 0 EEABRN CNC(=O)[C@]1(C)CN(Cc2c(OC)ccc3ccccc32)CCO1 ZINC000257236918 244231375 /nfs/dbraw/zinc/23/13/75/244231375.db2.gz HEIIMDVVKIDNDV-IBGZPJMESA-N 0 0 328.412 2.185 40 0 EEABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257239406 244237680 /nfs/dbraw/zinc/23/76/80/244237680.db2.gz HPDGTFHVZJNSSA-MRXNPFEDSA-N 0 0 337.427 2.492 40 0 EEABRN O=C(CC1(O)CCCCC1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257248049 244260388 /nfs/dbraw/zinc/26/03/88/244260388.db2.gz JBULKCKNOHTGDO-AWEZNQCLSA-N 0 0 333.432 2.072 40 0 EEABRN CC(C)c1nccn1CCC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257260303 244293641 /nfs/dbraw/zinc/29/36/41/244293641.db2.gz LCGBCBVEBHAPJQ-IAGOWNOFSA-N 0 0 343.427 2.047 40 0 EEABRN CNc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000257272182 244379535 /nfs/dbraw/zinc/37/95/35/244379535.db2.gz NBIVCCOUKGLERD-MRXNPFEDSA-N 0 0 338.411 2.221 40 0 EEABRN CCCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)CCC)C2)nc1C ZINC000257264916 244358365 /nfs/dbraw/zinc/35/83/65/244358365.db2.gz LWNDQFWONCJHPH-HNNXBMFYSA-N 0 0 346.475 2.278 40 0 EEABRN C[C@]1(CNC(=O)c2cccn(Cc3ccccc3F)c2=O)CCCO1 ZINC000257293379 244439676 /nfs/dbraw/zinc/43/96/76/244439676.db2.gz QPFNBUCLAFSWTH-LJQANCHMSA-N 0 0 344.386 2.335 40 0 EEABRN COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)n1 ZINC000257301364 244463890 /nfs/dbraw/zinc/46/38/90/244463890.db2.gz RYDVHXOUPHTQLZ-IAGOWNOFSA-N 0 0 345.443 2.022 40 0 EEABRN CC(=O)NCc1cccc([C@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257340984 244572554 /nfs/dbraw/zinc/57/25/54/244572554.db2.gz ZIJKTOJTQQWSKE-QGZVFWFLSA-N 0 0 325.416 2.466 40 0 EEABRN COc1cc(C)c(S(=O)(=O)NCCCn2ccnc2C)cc1C ZINC000019567449 212043846 /nfs/dbraw/zinc/04/38/46/212043846.db2.gz HMEALIGHYWCDAV-UHFFFAOYSA-N 0 0 337.445 2.186 40 0 EEABRN CCc1cc(CNC(=O)c2ccc3c(c2)n(CC)c(=O)n3CC)on1 ZINC000019522823 212037319 /nfs/dbraw/zinc/03/73/19/212037319.db2.gz PBNJOESZDIRKIJ-UHFFFAOYSA-N 0 0 342.399 2.323 40 0 EEABRN O=C(c1ccncc1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019402490 212026241 /nfs/dbraw/zinc/02/62/41/212026241.db2.gz NRYQHODDYPGZQW-MRXNPFEDSA-N 0 0 347.378 2.204 40 0 EEABRN Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000078393888 217045245 /nfs/dbraw/zinc/04/52/45/217045245.db2.gz NTQDRZCCYDMNBB-UHFFFAOYSA-N 0 0 346.475 2.292 40 0 EEABRN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)c2ccccc2Cl)on1 ZINC000078556365 217076467 /nfs/dbraw/zinc/07/64/67/217076467.db2.gz BBVZGDFAQOGPSN-VIFPVBQESA-N 0 0 328.777 2.437 40 0 EEABRN Cc1cc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c(C)n1C(C)C ZINC000078603868 217085584 /nfs/dbraw/zinc/08/55/84/217085584.db2.gz ROESEKKTQCVWKM-UHFFFAOYSA-N 0 0 345.447 2.335 40 0 EEABRN Cc1cc(C)n(Cc2cccc(-c3noc(CCn4cncn4)n3)c2)n1 ZINC000078774693 217118353 /nfs/dbraw/zinc/11/83/53/217118353.db2.gz BUPNPGDHVBZJTL-UHFFFAOYSA-N 0 0 349.398 2.432 40 0 EEABRN CC(C)Oc1ccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cn1 ZINC000078914798 217147167 /nfs/dbraw/zinc/14/71/67/217147167.db2.gz ZOERQBGTIRENDN-UHFFFAOYSA-N 0 0 340.339 2.063 40 0 EEABRN Cc1cc(NCc2cccnc2-n2cncn2)nc(-c2ccncc2)n1 ZINC000078987836 217166841 /nfs/dbraw/zinc/16/68/41/217166841.db2.gz ZIUUSODPHJZVRQ-UHFFFAOYSA-N 0 0 344.382 2.435 40 0 EEABRN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2C)c1 ZINC000079028987 217177756 /nfs/dbraw/zinc/17/77/56/217177756.db2.gz CFHAVQUHVHYXHN-QGZVFWFLSA-N 0 0 326.396 2.400 40 0 EEABRN Cc1cccnc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000079001413 217171499 /nfs/dbraw/zinc/17/14/99/217171499.db2.gz KJYFULWDDIWOTN-HZPDHXFCSA-N 0 0 329.444 2.435 40 0 EEABRN Cn1c(C(=O)NCC[S@@](C)=O)cc2cc(C(F)(F)F)ccc21 ZINC000080089136 217278146 /nfs/dbraw/zinc/27/81/46/217278146.db2.gz MFENSKWLVYMUCO-QFIPXVFZSA-N 0 0 332.347 2.305 40 0 EEABRN CCOC(=O)NCCNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000080080592 217278616 /nfs/dbraw/zinc/27/86/16/217278616.db2.gz BWBFGCKSYIHWQU-QMMMGPOBSA-N 0 0 349.250 2.476 40 0 EEABRN O=C([O-])[C@H]([NH2+]CCC[NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000001687668 304173739 /nfs/dbraw/zinc/17/37/39/304173739.db2.gz YUTWBBWATPZAGH-CALCHBBNSA-N 0 0 342.395 2.208 40 0 EEABRN Cc1ccc(CC(=O)N2CCN(c3cccc(O)c3)CC2)cc1O ZINC000089434258 217798207 /nfs/dbraw/zinc/79/82/07/217798207.db2.gz LIILKFHVLACKMZ-UHFFFAOYSA-N 0 0 326.396 2.298 40 0 EEABRN CSc1nc(C)c(CC(=O)Nc2c[nH]c3ccccc23)c(=O)[nH]1 ZINC000012192833 211315284 /nfs/dbraw/zinc/31/52/84/211315284.db2.gz HEZDKGKXEAKZKK-UHFFFAOYSA-N 0 0 328.397 2.463 40 0 EEABRN Cc1cc(C)nc(N2CCCN(C(=O)Cc3cccs3)CC2)n1 ZINC000012188623 211314509 /nfs/dbraw/zinc/31/45/09/211314509.db2.gz IHTKTQRCPKUJIQ-UHFFFAOYSA-N 0 0 330.457 2.436 40 0 EEABRN O=C(Cc1ccsc1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000012228417 211325217 /nfs/dbraw/zinc/32/52/17/211325217.db2.gz VDGOPEQGKICNLG-UHFFFAOYSA-N 0 0 327.413 2.363 40 0 EEABRN COc1ncccc1C1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC000012117946 211297543 /nfs/dbraw/zinc/29/75/43/211297543.db2.gz UODOFAYZQPFKLV-NCNPBXTDSA-N 0 0 328.368 2.338 40 0 EEABRN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C1 ZINC000012146743 211306768 /nfs/dbraw/zinc/30/67/68/211306768.db2.gz DEQZFFZIJGVTRG-VXGBXAGGSA-N 0 0 346.456 2.059 40 0 EEABRN COc1cc2nc(Cl)nc(NCC(OC)OC)c2cc1OC ZINC000011756864 211245099 /nfs/dbraw/zinc/24/50/99/211245099.db2.gz ACTKQGSGLBGEAO-UHFFFAOYSA-N 0 0 327.768 2.331 40 0 EEABRN C[C@H]1CCCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)C1 ZINC000010541347 211180193 /nfs/dbraw/zinc/18/01/93/211180193.db2.gz TZAPKWJJVYDVPJ-LBPRGKRZSA-N 0 0 344.864 2.365 40 0 EEABRN Cc1nc(N(C)C)sc1CN1CCN(c2cc(C)nc(C)n2)CC1 ZINC000092703888 218160164 /nfs/dbraw/zinc/16/01/64/218160164.db2.gz AJYQBYYOZPMTJK-UHFFFAOYSA-N 0 0 346.504 2.247 40 0 EEABRN CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC)ccc1OC ZINC000009063913 211037271 /nfs/dbraw/zinc/03/72/71/211037271.db2.gz VCSDIVVASOGWTQ-LBPRGKRZSA-N 0 0 342.461 2.302 40 0 EEABRN CC[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000095396403 218328281 /nfs/dbraw/zinc/32/82/81/218328281.db2.gz LXNAXXBGOBJLIM-SMDDNHRTSA-N 0 0 339.457 2.401 40 0 EEABRN Cc1noc(C)c1Cn1cc(I)cc(C)c1=O ZINC000095441019 218385299 /nfs/dbraw/zinc/38/52/99/218385299.db2.gz SWGATEBJIJIRMT-UHFFFAOYSA-N 0 0 344.152 2.414 40 0 EEABRN Cn1cc(CCC(=O)N2CCCC3(C2)OCCO3)c2ccccc21 ZINC000095443542 218387898 /nfs/dbraw/zinc/38/78/98/218387898.db2.gz NXBFXXAQLOZMBG-UHFFFAOYSA-N 0 0 328.412 2.476 40 0 EEABRN CC(=O)N1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000095448982 218392664 /nfs/dbraw/zinc/39/26/64/218392664.db2.gz CAJNHGNHKKABEH-CXAGYDPISA-N 0 0 332.444 2.409 40 0 EEABRN O=C(c1ccccc1NCc1ccco1)N1CCN(C2CC2)C(=O)C1 ZINC000095449924 218393950 /nfs/dbraw/zinc/39/39/50/218393950.db2.gz MWYPMFBKEGRIMH-UHFFFAOYSA-N 0 0 339.395 2.339 40 0 EEABRN c1cnc(N2CC[C@@H]3OCCC[C@]3(COCC3CCOCC3)C2)nc1 ZINC000096039963 218522249 /nfs/dbraw/zinc/52/22/49/218522249.db2.gz PYWSDAKPJLJFSQ-PKOBYXMFSA-N 0 0 347.459 2.295 40 0 EEABRN O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000096052147 218542653 /nfs/dbraw/zinc/54/26/53/218542653.db2.gz JDVODTYNLFERTL-OAHLLOKOSA-N 0 0 348.468 2.143 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Nc3nccs3)CO2)C1 ZINC000096073819 218572598 /nfs/dbraw/zinc/57/25/98/218572598.db2.gz VNSNUXQNQVVPRX-MLGOLLRUSA-N 0 0 332.429 2.347 40 0 EEABRN O=C(C1=CCCC1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107778 218601064 /nfs/dbraw/zinc/60/10/64/218601064.db2.gz ZARQHEXDFHNXGC-MJGOQNOKSA-N 0 0 328.412 2.469 40 0 EEABRN C=CC(=O)N1CCC2(CC1)CN(Cc1cccc(OC)c1)CCO2 ZINC000096158877 218633813 /nfs/dbraw/zinc/63/38/13/218633813.db2.gz DVTAAWUEULVGAU-UHFFFAOYSA-N 0 0 330.428 2.075 40 0 EEABRN COc1ccccc1C1=NO[C@@](C)(C(=O)NCCc2ccccn2)C1 ZINC000096193112 218661882 /nfs/dbraw/zinc/66/18/82/218661882.db2.gz LSRYLCTXRBSNAG-LJQANCHMSA-N 0 0 339.395 2.332 40 0 EEABRN CCN1CC[C@]2(CN(C(=O)[C@H]3CCCO3)C[C@H]2c2ccccc2)C1=O ZINC000096201879 218674193 /nfs/dbraw/zinc/67/41/93/218674193.db2.gz BBFQSSIZIZRGBQ-SQGPQFPESA-N 0 0 342.439 2.030 40 0 EEABRN CN(C)C(=O)N[C@H]1COC2(C1)CCN(C(=O)Nc1ccccc1)CC2 ZINC000096220724 218696844 /nfs/dbraw/zinc/69/68/44/218696844.db2.gz JHXQOPBYBSWCDC-OAHLLOKOSA-N 0 0 346.431 2.113 40 0 EEABRN COc1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000006285282 210611425 /nfs/dbraw/zinc/61/14/25/210611425.db2.gz DVKWTSWYIIMJJB-UHFFFAOYSA-N 0 0 331.368 2.408 40 0 EEABRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC[C@H](O)C(F)(F)F ZINC000096413317 218770378 /nfs/dbraw/zinc/77/03/78/218770378.db2.gz YCPKUMZKRIZYPP-NEPJUHHUSA-N 0 0 332.322 2.349 40 0 EEABRN CC(C)(C)c1cc(NC(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000096415911 218776518 /nfs/dbraw/zinc/77/65/18/218776518.db2.gz JBLLWJUEIFHELW-QMMMGPOBSA-N 0 0 348.325 2.257 40 0 EEABRN Cc1noc(C)c1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000096416696 218777512 /nfs/dbraw/zinc/77/75/12/218777512.db2.gz ALRUFJSAXMOETE-ZDUSSCGKSA-N 0 0 333.775 2.480 40 0 EEABRN O=S(=O)(c1ccccc1N1CCC(n2cncn2)CC1)C(F)F ZINC000078987973 285048932 /nfs/dbraw/zinc/04/89/32/285048932.db2.gz PLKDWGVRFRDGFO-UHFFFAOYSA-N 0 0 342.371 2.116 40 0 EEABRN O=C1NC(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]12 ZINC000100634666 296358809 /nfs/dbraw/zinc/35/88/09/296358809.db2.gz UUMBMHCEEMGNQQ-ILXRZTDVSA-N 0 0 328.755 2.474 40 0 EEABRN C[C@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccncc1 ZINC000096426145 218795093 /nfs/dbraw/zinc/79/50/93/218795093.db2.gz YXWHUDLRHDRAHZ-KBXCAEBGSA-N 0 0 343.402 2.471 40 0 EEABRN C[C@@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccncc1 ZINC000096426148 218795450 /nfs/dbraw/zinc/79/54/50/218795450.db2.gz YXWHUDLRHDRAHZ-KDOFPFPSSA-N 0 0 343.402 2.471 40 0 EEABRN CSC[C@H](C)N(C)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000096428094 218800566 /nfs/dbraw/zinc/80/05/66/218800566.db2.gz YPOTVGXNPPPPBC-NSHDSACASA-N 0 0 343.449 2.383 40 0 EEABRN O=C(C[C@@H]1CCCO1)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000096445582 218828499 /nfs/dbraw/zinc/82/84/99/218828499.db2.gz PXUOYWCFXKNABL-SFHVURJKSA-N 0 0 344.455 2.153 40 0 EEABRN Cn1cc(Nc2cccc(NC(=O)CN3CCCCC3=O)c2)cn1 ZINC000096449962 218833258 /nfs/dbraw/zinc/83/32/58/218833258.db2.gz PJRULDADVIVYGU-UHFFFAOYSA-N 0 0 327.388 2.115 40 0 EEABRN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(CC2OCCO2)CC1 ZINC000096495475 218872617 /nfs/dbraw/zinc/87/26/17/218872617.db2.gz FZLFWFSIITVBRF-UHFFFAOYSA-N 0 0 345.226 2.124 40 0 EEABRN OC[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CCO1 ZINC000096497167 218874820 /nfs/dbraw/zinc/87/48/20/218874820.db2.gz WPZYKUMISAENIF-LBPRGKRZSA-N 0 0 337.217 2.190 40 0 EEABRN CC1(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCC1 ZINC000096501416 218877308 /nfs/dbraw/zinc/87/73/08/218877308.db2.gz HKDUKDUVSUVEGO-UHFFFAOYSA-N 0 0 339.189 2.452 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000005060650 210379921 /nfs/dbraw/zinc/37/99/21/210379921.db2.gz YDTQUPCTHMUHEB-CYBMUJFWSA-N 0 0 331.416 2.020 40 0 EEABRN CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000004995848 210354342 /nfs/dbraw/zinc/35/43/42/210354342.db2.gz GTBHDLLZXSUXDC-SNVBAGLBSA-N 0 0 348.852 2.029 40 0 EEABRN CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)cc1 ZINC000004944535 210336506 /nfs/dbraw/zinc/33/65/06/210336506.db2.gz YWHYSQYKAZYXLB-GFCCVEGCSA-N 0 0 345.424 2.375 40 0 EEABRN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCCc2cccc(F)c2)C1=O ZINC000097233441 219001289 /nfs/dbraw/zinc/00/12/89/219001289.db2.gz FONZGHGBGRCEGE-SFHVURJKSA-N 0 0 344.390 2.349 40 0 EEABRN CCOCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1 ZINC000004894435 210314248 /nfs/dbraw/zinc/31/42/48/210314248.db2.gz SVNBIWQIGMUESY-INIZCTEOSA-N 0 0 349.431 2.234 40 0 EEABRN COC(=O)C1(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)CCCCC1 ZINC000183802540 533198521 /nfs/dbraw/zinc/19/85/21/533198521.db2.gz GAKUUUGGLWMDTM-HNNXBMFYSA-N 0 0 348.447 2.390 40 0 EEABRN CCOC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1OC ZINC000408585376 257895478 /nfs/dbraw/zinc/89/54/78/257895478.db2.gz FUKAYRPCYCSSJG-JTQLQIEISA-N 0 0 330.406 2.340 40 0 EEABRN C[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCC1)[C@H](C)c1ccccc1 ZINC000280980506 257986938 /nfs/dbraw/zinc/98/69/38/257986938.db2.gz UITMQZVESMYADY-UONOGXRCSA-N 0 0 338.473 2.445 40 0 EEABRN CC[C@@H](COC)NC(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000283390190 257987155 /nfs/dbraw/zinc/98/71/55/257987155.db2.gz GLIAPNLYAZNGBT-ZDUSSCGKSA-N 0 0 335.383 2.320 40 0 EEABRN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000159146405 533570855 /nfs/dbraw/zinc/57/08/55/533570855.db2.gz YAAZTFHTLBPYEV-SMDDNHRTSA-N 0 0 349.406 2.348 40 0 EEABRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408709625 533609054 /nfs/dbraw/zinc/60/90/54/533609054.db2.gz VNKBYONFMKXGAR-IUODEOHRSA-N 0 0 343.427 2.212 40 0 EEABRN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(c2cnccn2)CC1 ZINC000040487713 132399866 /nfs/dbraw/zinc/39/98/66/132399866.db2.gz ULEWODDMWZXWCY-SFHVURJKSA-N 0 0 337.427 2.460 40 0 EEABRN Cc1ccc(CN(CC(=O)N2CCCCCC2)S(C)(=O)=O)cc1 ZINC000223330812 292098145 /nfs/dbraw/zinc/09/81/45/292098145.db2.gz LKMFIUHFHFWGHP-UHFFFAOYSA-N 0 0 338.473 2.159 40 0 EEABRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC3 ZINC000253369841 292299926 /nfs/dbraw/zinc/29/99/26/292299926.db2.gz IRIQDWQNWXPFLP-JCGVRSQUSA-N 0 0 348.468 2.430 40 0 EEABRN CC(C)(C)n1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)nn1 ZINC000191665262 274049742 /nfs/dbraw/zinc/04/97/42/274049742.db2.gz KEYOIZOAACGVDZ-CQSZACIVSA-N 0 0 329.404 2.254 40 0 EEABRN CC(=O)N1CCN(C(=O)c2c(C)noc2C)[C@H](c2ccccc2)C1 ZINC000257343688 278039002 /nfs/dbraw/zinc/03/90/02/278039002.db2.gz ZUASKYQTNKPHHC-INIZCTEOSA-N 0 0 327.384 2.337 40 0 EEABRN Cc1csc2nc3n(c(=O)c12)CCN(Cc1cccnc1)CC3 ZINC000019240287 279049695 /nfs/dbraw/zinc/04/96/95/279049695.db2.gz RKTLKNXWWGDYEY-UHFFFAOYSA-N 0 0 326.425 2.220 40 0 EEABRN Cc1nnc(N2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)s1 ZINC000248045913 279223065 /nfs/dbraw/zinc/22/30/65/279223065.db2.gz VMIHDKFFJZQQPA-AWEZNQCLSA-N 0 0 339.461 2.028 40 0 EEABRN Cn1cccc1C(=O)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 ZINC000248100989 279368688 /nfs/dbraw/zinc/36/86/88/279368688.db2.gz DWEYUHZADXZWMM-INIZCTEOSA-N 0 0 328.416 2.235 40 0 EEABRN O=C(c1ccccn1)N1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257217429 280214151 /nfs/dbraw/zinc/21/41/51/280214151.db2.gz CYWMEMGSTSCHTC-UHFFFAOYSA-N 0 0 335.407 2.385 40 0 EEABRN CC[C@H]1N(S(=O)(=O)c2cccc(C)c2)CCC[C@]12CCC(=O)N2 ZINC000096070415 288354336 /nfs/dbraw/zinc/35/43/36/288354336.db2.gz UTSXYEKDYHYOLA-WBVHZDCISA-N 0 0 336.457 2.207 40 0 EEABRN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C(=O)c1ccc(F)cc1)C2 ZINC000096111716 290320431 /nfs/dbraw/zinc/32/04/31/290320431.db2.gz GCVKHYCNLAIWIX-HOCLYGCPSA-N 0 0 340.354 2.464 40 0 biogenic,in-vitro EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000252504732 297355586 /nfs/dbraw/zinc/35/55/86/297355586.db2.gz DUAYAAILRDAVAI-NONVJHHQSA-N 0 0 330.428 2.089 40 0 EEABRN O=C(c1ccccc1Br)N1CCOC[C@]12CCOC2 ZINC000194422143 304564368 /nfs/dbraw/zinc/56/43/68/304564368.db2.gz MNWMSEGKNMYIHF-CQSZACIVSA-N 0 0 326.190 2.081 40 0 EEABRN Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000257301579 301026036 /nfs/dbraw/zinc/02/60/36/301026036.db2.gz RZAREZBFYMATIB-CYBMUJFWSA-N 0 0 341.820 2.134 40 0 EEABRN Cc1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(Cl)cc1F ZINC000096472450 301394699 /nfs/dbraw/zinc/39/46/99/301394699.db2.gz CZIOTYQHYNVBFF-VHSXEESVSA-N 0 0 348.827 2.062 40 0 EEABRN Cc1ccc([C@]2(O)N=C3C=CC(C)=CN3[C@@H]2CC(=O)N(C)C)cc1 ZINC000095864801 301847571 /nfs/dbraw/zinc/84/75/71/301847571.db2.gz VLHJPCWGOSLMQL-VQIMIIECSA-N 0 0 325.412 2.175 40 0 EEABRN CN(Cc1cc(Cl)cn1C)C(=O)c1cncc(N2CCOCC2)c1 ZINC000331503845 311862643 /nfs/dbraw/zinc/86/26/43/311862643.db2.gz ZVLXVWQUQSCRQF-UHFFFAOYSA-N 0 0 348.834 2.182 40 0 EEABRN CNC(=O)CC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000097097116 323320413 /nfs/dbraw/zinc/32/04/13/323320413.db2.gz MCNVLPCUROOQKS-HXUWFJFHSA-N 0 0 338.407 2.353 40 0 EEABRN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(F)c2Cl)n1 ZINC000097098062 323320421 /nfs/dbraw/zinc/32/04/21/323320421.db2.gz AWXUOWGVYQHLRH-NSHDSACASA-N 0 0 325.727 2.384 40 0 EEABRN CNC(=O)CCNC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100499 323320481 /nfs/dbraw/zinc/32/04/81/323320481.db2.gz BGQZXZKHNILAOK-NSHDSACASA-N 0 0 339.264 2.004 40 0 EEABRN O=C(Cc1ccc(F)cc1Br)N1CCn2ccnc2C1 ZINC000390833720 323545581 /nfs/dbraw/zinc/54/55/81/323545581.db2.gz LYAUDIUTFOTTOP-UHFFFAOYSA-N 0 0 338.180 2.370 40 0 EEABRN Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cn[nH]c1 ZINC000048960203 462946254 /nfs/dbraw/zinc/94/62/54/462946254.db2.gz ASANKXJPVKGXTH-UHFFFAOYSA-N 0 0 330.207 2.306 40 0 EEABRN CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)N1CCCCCCC1 ZINC000048991707 462949008 /nfs/dbraw/zinc/94/90/08/462949008.db2.gz GWHLITKBHPUWCT-UHFFFAOYSA-N 0 0 343.449 2.104 40 0 EEABRN Cn1cc(CNc2c(Br)cccc2S(C)(=O)=O)cn1 ZINC000252488567 464964832 /nfs/dbraw/zinc/96/48/32/464964832.db2.gz IUUBCXXLYZCJOC-UHFFFAOYSA-N 0 0 344.234 2.198 40 0 EEABRN CC(=O)NC(C)(C)c1noc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000193203193 465028126 /nfs/dbraw/zinc/02/81/26/465028126.db2.gz WYAYRQOFXCVNLU-AWEZNQCLSA-N 0 0 342.399 2.418 40 0 EEABRN CCN(CC)C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc12 ZINC000000417146 462560075 /nfs/dbraw/zinc/56/00/75/462560075.db2.gz DYMFGIWKNXCSIT-UHFFFAOYSA-N 0 0 345.428 2.475 40 0 EEABRN CCOC(=O)c1cnc(SCC(=O)OC2CCCCC2)nc1N ZINC000000420963 462561572 /nfs/dbraw/zinc/56/15/72/462561572.db2.gz IEOKGEMSHRNJOL-UHFFFAOYSA-N 0 0 339.417 2.204 40 0 EEABRN CCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1 ZINC000000420457 462561584 /nfs/dbraw/zinc/56/15/84/462561584.db2.gz JXLVHCHNPQWTAY-UHFFFAOYSA-N 0 0 339.355 2.079 40 0 EEABRN CC[C@H](CO)NC(=O)Cc1ccc(NCc2csc(C)n2)cc1 ZINC000086209879 462567884 /nfs/dbraw/zinc/56/78/84/462567884.db2.gz KFVHQURKRCNBCK-CQSZACIVSA-N 0 0 333.457 2.493 40 0 EEABRN Cc1nn(Cc2ccc(C(=O)N3CCN(C)CC3)o2)c(C)c1Cl ZINC000002781405 462602704 /nfs/dbraw/zinc/60/27/04/462602704.db2.gz ZFSLKOOPKJHLRP-UHFFFAOYSA-N 0 0 336.823 2.182 40 0 EEABRN Cc1nc(CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cs1 ZINC000074684601 462625843 /nfs/dbraw/zinc/62/58/43/462625843.db2.gz OSECHQCXKVKIME-HNNXBMFYSA-N 0 0 329.425 2.306 40 0 EEABRN CCOC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(Cl)cc2OC)C1 ZINC000045953068 462633624 /nfs/dbraw/zinc/63/36/24/462633624.db2.gz VTZDAMNTZVSTNU-SECBINFHSA-N 0 0 327.764 2.273 40 0 EEABRN CNC(=O)C(C)(C)CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000089333801 462667231 /nfs/dbraw/zinc/66/72/31/462667231.db2.gz LBUYCTUXSRNOEO-LBPRGKRZSA-N 0 0 347.242 2.305 40 0 EEABRN CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)cc2)c1=O ZINC000006678873 462696175 /nfs/dbraw/zinc/69/61/75/462696175.db2.gz RXACAOZWTTXLNY-UHFFFAOYSA-N 0 0 343.408 2.192 40 0 EEABRN CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680757 462697704 /nfs/dbraw/zinc/69/77/04/462697704.db2.gz VBCBZNHHEQJPIH-UHFFFAOYSA-N 0 0 330.475 2.453 40 0 EEABRN CCC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000006944787 462713718 /nfs/dbraw/zinc/71/37/18/462713718.db2.gz RGBAJKTYRWBVTJ-CQSZACIVSA-N 0 0 326.462 2.374 40 0 EEABRN CC(C)(C)OC(=O)NCCC(=O)OCC(=O)c1ccc(F)cc1 ZINC000007628204 462742184 /nfs/dbraw/zinc/74/21/84/462742184.db2.gz OOAMGGWIXVGKKU-UHFFFAOYSA-N 0 0 325.336 2.466 40 0 EEABRN CCS(=O)(=O)CCN(C)C(=O)Nc1cccc(Br)c1 ZINC000089998036 462762364 /nfs/dbraw/zinc/76/23/64/462762364.db2.gz TWVPXKPZNXDUHL-UHFFFAOYSA-N 0 0 349.250 2.348 40 0 EEABRN O=C(CSc1nccc(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000008013453 462762543 /nfs/dbraw/zinc/76/25/43/462762543.db2.gz UYAMWRKCFVHTMU-UHFFFAOYSA-N 0 0 345.302 2.399 40 0 EEABRN COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(C)C ZINC000008017621 462762712 /nfs/dbraw/zinc/76/27/12/462762712.db2.gz INJREGYROFEUQK-UHFFFAOYSA-N 0 0 337.445 2.384 40 0 EEABRN O=C(CN1C[C@@H](n2cccn2)Cc2ccccc21)NCc1ccco1 ZINC000075929976 462774187 /nfs/dbraw/zinc/77/41/87/462774187.db2.gz PPFFNBVWDIITTI-INIZCTEOSA-N 0 0 336.395 2.396 40 0 EEABRN COCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000008476515 462784673 /nfs/dbraw/zinc/78/46/73/462784673.db2.gz VMSFRNNTAPNEDT-UHFFFAOYSA-N 0 0 340.358 2.450 40 0 EEABRN COc1ccc(NC(=O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000090473269 462793749 /nfs/dbraw/zinc/79/37/49/462793749.db2.gz JITNCKBOJXOGJW-UHFFFAOYSA-N 0 0 328.416 2.242 40 0 EEABRN C=Cn1nnc(NC(=O)c2cc(Br)cc(C)c2OC)n1 ZINC000010119581 462813204 /nfs/dbraw/zinc/81/32/04/462813204.db2.gz ZSDQKLPCBKOUMN-UHFFFAOYSA-N 0 0 338.165 2.105 40 0 EEABRN Cc1occc1-c1nc(N2CCN(C)CC2)ncc1-c1cnccn1 ZINC000012739086 462864920 /nfs/dbraw/zinc/86/49/20/462864920.db2.gz WNDJYLRIRQSXFZ-UHFFFAOYSA-N 0 0 336.399 2.254 40 0 EEABRN CCC[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC ZINC000013582970 462897209 /nfs/dbraw/zinc/89/72/09/462897209.db2.gz ONLWIWSBXATVSE-NSHDSACASA-N 0 0 328.434 2.009 40 0 EEABRN O=C(NC[C@@H](O)C1CCOCC1)c1ccc(F)cc1Br ZINC000077049595 462938741 /nfs/dbraw/zinc/93/87/41/462938741.db2.gz ZTSAAVFFKTZABZ-CYBMUJFWSA-N 0 0 346.196 2.106 40 0 EEABRN Nc1nonc1-c1noc(NCc2cccc(C(F)(F)F)c2)n1 ZINC000015079626 462941198 /nfs/dbraw/zinc/94/11/98/462941198.db2.gz ZKIJOZHFNKPIQZ-UHFFFAOYSA-N 0 0 326.238 2.333 40 0 EEABRN O=S(=O)(NC[C@@](O)(c1cccs1)C1CC1)c1cccs1 ZINC000077173614 462947837 /nfs/dbraw/zinc/94/78/37/462947837.db2.gz STXUHMCAGDGPQS-ZDUSSCGKSA-N 0 0 329.468 2.386 40 0 EEABRN COC(=O)c1coc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)c1 ZINC000134152740 463009556 /nfs/dbraw/zinc/00/95/56/463009556.db2.gz XEUSIQVCOPLOKJ-MRVPVSSYSA-N 0 0 345.323 2.384 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cccc(OC)c2)c1 ZINC000024354740 463084005 /nfs/dbraw/zinc/08/40/05/463084005.db2.gz NOFMJQZEFVIZAS-UHFFFAOYSA-N 0 0 349.408 2.303 40 0 EEABRN Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c[nH]1 ZINC000095448122 463087404 /nfs/dbraw/zinc/08/74/04/463087404.db2.gz PFVJKHBDNDXASG-CYBMUJFWSA-N 0 0 329.375 2.221 40 0 EEABRN O=C(NCc1ncccc1F)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000095463901 463089750 /nfs/dbraw/zinc/08/97/50/463089750.db2.gz VXGRDDFIJQTJEZ-HNNXBMFYSA-N 0 0 329.375 2.374 40 0 EEABRN CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000024839808 463099866 /nfs/dbraw/zinc/09/98/66/463099866.db2.gz LMUSJGRZKRXDJS-UHFFFAOYSA-N 0 0 344.436 2.287 40 0 EEABRN COc1ccc([C@@H](N)c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095533817 463107390 /nfs/dbraw/zinc/10/73/90/463107390.db2.gz UBZMFIGWGWFSLY-OAHLLOKOSA-N 0 0 326.356 2.243 40 0 EEABRN C[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccncc1 ZINC000095947171 463111369 /nfs/dbraw/zinc/11/13/69/463111369.db2.gz HJZXIPPVSVKGIM-CQSZACIVSA-N 0 0 339.395 2.465 40 0 EEABRN C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121335888 463118867 /nfs/dbraw/zinc/11/88/67/463118867.db2.gz JOZVETHWASRBNO-TZMCWYRMSA-N 0 0 344.438 2.285 40 0 EEABRN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000135275463 463136723 /nfs/dbraw/zinc/13/67/23/463136723.db2.gz HRECCJHMEBUCKC-CZUORRHYSA-N 0 0 338.423 2.285 40 0 EEABRN COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096039042 463144008 /nfs/dbraw/zinc/14/40/08/463144008.db2.gz QRCSWIIKJRWRNV-HKUYNNGSSA-N 0 0 333.428 2.282 40 0 EEABRN Cc1noc([C@H]2COC[C@H]3CN(C(=O)/C=C/c4cccs4)C[C@H]32)n1 ZINC000096040749 463145241 /nfs/dbraw/zinc/14/52/41/463145241.db2.gz UVTARAGZDLVYJP-YAPQCCHZSA-N 0 0 345.424 2.341 40 0 EEABRN Cc1cc(CN2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)no1 ZINC000096041826 463145976 /nfs/dbraw/zinc/14/59/76/463145976.db2.gz RPDPGDVRBILHNW-RCCFBDPRSA-N 0 0 329.400 2.327 40 0 EEABRN c1ccc(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096041721 463146378 /nfs/dbraw/zinc/14/63/78/463146378.db2.gz RBOPMJGTBSBSQX-IPMKNSEASA-N 0 0 325.412 2.425 40 0 EEABRN O=C([C@H]1CCOC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096069890 463165404 /nfs/dbraw/zinc/16/54/04/463165404.db2.gz LNOGEBRGAJPMNP-OKZBNKHCSA-N 0 0 330.428 2.057 40 0 EEABRN Cc1ccc(N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)nn1 ZINC000096074009 463166898 /nfs/dbraw/zinc/16/68/98/463166898.db2.gz PZHBOJBIATUSME-LJQANCHMSA-N 0 0 337.427 2.199 40 0 EEABRN Cc1cnc(N2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)nc1 ZINC000096074944 463168818 /nfs/dbraw/zinc/16/88/18/463168818.db2.gz HRHYDMCUKBCVGL-LJQANCHMSA-N 0 0 339.443 2.051 40 0 EEABRN CCN(C(=O)c1cccc(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000079033920 463181993 /nfs/dbraw/zinc/18/19/93/463181993.db2.gz BNKIKKRQPPJSRI-SNVBAGLBSA-N 0 0 348.262 2.344 40 0 EEABRN O=C(c1ccnnc1)N1CCC2(CCN(c3ccsc3)C2=O)CC1 ZINC000096157948 463189634 /nfs/dbraw/zinc/18/96/34/463189634.db2.gz QOGOCNPNHBWSCB-UHFFFAOYSA-N 0 0 342.424 2.197 40 0 EEABRN O=C(c1ccsc1)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159480 463190803 /nfs/dbraw/zinc/19/08/03/463190803.db2.gz DKAPRNOOGKKCBE-GOSISDBHSA-N 0 0 341.436 2.408 40 0 EEABRN Cc1nc(CN2CC[C@]3(CCN(C(=O)c4ccco4)C3)C2=O)cs1 ZINC000096159452 463191014 /nfs/dbraw/zinc/19/10/14/463191014.db2.gz AFVQGMOXJWZUKH-QGZVFWFLSA-N 0 0 345.424 2.309 40 0 EEABRN O=C(CCn1ncc2ccc(Cl)cc21)NCCCn1ccnc1 ZINC000096181989 463194197 /nfs/dbraw/zinc/19/41/97/463194197.db2.gz AVTJEVOEIBBUDY-UHFFFAOYSA-N 0 0 331.807 2.483 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000096181809 463194621 /nfs/dbraw/zinc/19/46/21/463194621.db2.gz VNJBPARTKKIGCK-DLBZAZTESA-N 0 0 334.391 2.127 40 0 EEABRN COc1c(C(=O)Nc2cc(C)on2)nnn1Cc1ccc(C)cc1 ZINC000096183380 463195740 /nfs/dbraw/zinc/19/57/40/463195740.db2.gz XGYHPIFXCSXWEO-UHFFFAOYSA-N 0 0 327.344 2.192 40 0 EEABRN Cc1cccc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096187194 463198716 /nfs/dbraw/zinc/19/87/16/463198716.db2.gz WTJXOGPHATZRFA-RYRKJORJSA-N 0 0 339.395 2.236 40 0 EEABRN Cc1cc(OC(F)F)c(C(=O)N[C@H](C)CCN2CCOCC2)s1 ZINC000079310528 463205444 /nfs/dbraw/zinc/20/54/44/463205444.db2.gz SUGMGKBORRDHSH-SNVBAGLBSA-N 0 0 348.415 2.499 40 0 EEABRN O=C(c1ccoc1)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)C1 ZINC000096203209 463207871 /nfs/dbraw/zinc/20/78/71/463207871.db2.gz DMBKBGBPKSVPGB-IBGZPJMESA-N 0 0 339.395 2.472 40 0 EEABRN O=C(N1CCCC1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221775 463217818 /nfs/dbraw/zinc/21/78/18/463217818.db2.gz GPJNPWNVIRDHLH-MRXNPFEDSA-N 0 0 331.416 2.300 40 0 EEABRN c1csc(CN2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226620 463221329 /nfs/dbraw/zinc/22/13/29/463221329.db2.gz WHAPJLZZFYJGEC-OAHLLOKOSA-N 0 0 336.486 2.471 40 0 EEABRN Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC000096239052 463224826 /nfs/dbraw/zinc/22/48/26/463224826.db2.gz QVBLUZVGYIWZPD-GOSISDBHSA-N 0 0 346.381 2.327 40 0 EEABRN Cc1occc1C(=O)N1C[C@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240865 463225493 /nfs/dbraw/zinc/22/54/93/463225493.db2.gz DBHGXBLSXPONPM-MRXNPFEDSA-N 0 0 346.427 2.079 40 0 EEABRN O=C(COc1ccccc1)N1C[C@@H]2[C@H](C1)OCCN2CC1CCCC1 ZINC000096248711 463226957 /nfs/dbraw/zinc/22/69/57/463226957.db2.gz MSOMPYVRODYGBM-MOPGFXCFSA-N 0 0 344.455 2.167 40 0 EEABRN O=C(c1cccs1)N1CCCn2nnc(COCC3CC3)c2C1 ZINC000096256078 463228314 /nfs/dbraw/zinc/22/83/14/463228314.db2.gz SNNUHEOLYCCMJK-UHFFFAOYSA-N 0 0 332.429 2.312 40 0 EEABRN CC(C)Nc1ncnc2c1CCN(C(=O)c1ccncc1F)CC2 ZINC000096255531 463229041 /nfs/dbraw/zinc/22/90/41/463229041.db2.gz WWIKBPCFPIFLGW-UHFFFAOYSA-N 0 0 329.379 2.072 40 0 EEABRN Cc1ccccc1NC(=O)N1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252941 463229114 /nfs/dbraw/zinc/22/91/14/463229114.db2.gz NOVZQOXAHPYAMJ-HLLBOEOZSA-N 0 0 345.443 2.388 40 0 EEABRN CN(C(=O)[C@@H]1CSCN1C(=O)c1cccc2c1ccn2C)C1CC1 ZINC000096403412 463238026 /nfs/dbraw/zinc/23/80/26/463238026.db2.gz GQGAIICNHYZDTA-INIZCTEOSA-N 0 0 343.452 2.314 40 0 EEABRN COc1cccc(N2CCC[C@H](NC(=O)CCc3cnn(C)c3)C2)c1 ZINC000096409261 463242715 /nfs/dbraw/zinc/24/27/15/463242715.db2.gz MQHIATBMNXKGQK-INIZCTEOSA-N 0 0 342.443 2.147 40 0 EEABRN CCc1ccc([C@@H]2COCCN2Cc2cc(=O)n3ccccc3n2)o1 ZINC000096413014 463244786 /nfs/dbraw/zinc/24/47/86/463244786.db2.gz YFJRPKFTTSXVPD-INIZCTEOSA-N 0 0 339.395 2.423 40 0 EEABRN CCOC(=O)CN(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C1CCCCC1 ZINC000096412057 463245211 /nfs/dbraw/zinc/24/52/11/463245211.db2.gz OLRXTEKDZNZROG-CVEARBPZSA-N 0 0 333.432 2.248 40 0 EEABRN O=C(c1ccc([O-])c(Cl)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096415651 463248165 /nfs/dbraw/zinc/24/81/65/463248165.db2.gz BZLARLFWXLYKCP-UHFFFAOYSA-N 0 0 338.835 2.373 40 0 EEABRN O=C(OCCOCC(F)(F)F)c1cc2c([nH]c1=O)CCCCC2 ZINC000096415667 463248303 /nfs/dbraw/zinc/24/83/03/463248303.db2.gz KDQDIBQKVHZRKK-UHFFFAOYSA-N 0 0 333.306 2.380 40 0 EEABRN CN1C[C@H](NC(=O)Nc2ccc(F)c(-n3cccc3)c2)CCC1=O ZINC000096415998 463248367 /nfs/dbraw/zinc/24/83/67/463248367.db2.gz CZPABCVGCBONJD-CYBMUJFWSA-N 0 0 330.363 2.359 40 0 EEABRN CCNC(=O)CCC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000096419317 463250097 /nfs/dbraw/zinc/25/00/97/463250097.db2.gz NPXVPBPHGBZATC-UHFFFAOYSA-N 0 0 339.233 2.471 40 0 EEABRN CCc1cc(NC(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)n(C)n1 ZINC000096425185 463255042 /nfs/dbraw/zinc/25/50/42/463255042.db2.gz TZPSPHRWWLCDQJ-DOMZBBRYSA-N 0 0 335.452 2.141 40 0 EEABRN Cc1noc(-c2ccccc2C(=O)NCc2cccnc2N(C)C)n1 ZINC000096426217 463256238 /nfs/dbraw/zinc/25/62/38/463256238.db2.gz TZNPLFQMOIPESY-UHFFFAOYSA-N 0 0 337.383 2.436 40 0 EEABRN Nc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCCO2)cc1Cl ZINC000096427814 463256970 /nfs/dbraw/zinc/25/69/70/463256970.db2.gz RCVXKDJZDHCOGM-QMMMGPOBSA-N 0 0 339.244 2.423 40 0 EEABRN COCCOC1CCN(C(=O)c2cc(C)ccc2-n2ccnc2)CC1 ZINC000096436600 463265028 /nfs/dbraw/zinc/26/50/28/463265028.db2.gz PTFSEDNMTSGONU-UHFFFAOYSA-N 0 0 343.427 2.448 40 0 EEABRN CN(C)c1ncccc1CNC(=O)N1CCC(OCC2CC2)CC1 ZINC000096439076 463266267 /nfs/dbraw/zinc/26/62/67/463266267.db2.gz DXLONQQNRDPXDZ-UHFFFAOYSA-N 0 0 332.448 2.248 40 0 EEABRN Cc1ccc2[nH]nc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)c2c1 ZINC000096443756 463268536 /nfs/dbraw/zinc/26/85/36/463268536.db2.gz NIJNJDZIJLAHLQ-LBPRGKRZSA-N 0 0 343.456 2.120 40 0 EEABRN Cc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000096443528 463268867 /nfs/dbraw/zinc/26/88/67/463268867.db2.gz XYQUNJPUVSTFOP-INIZCTEOSA-N 0 0 329.425 2.168 40 0 EEABRN Cc1noc(C)c1CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000096444522 463269683 /nfs/dbraw/zinc/26/96/83/463269683.db2.gz LZXSCVLXUQKAGP-AWEZNQCLSA-N 0 0 348.447 2.272 40 0 EEABRN CN(Cc1cccc(OC(F)F)c1)c1nnc(Cl)cc1C(N)=O ZINC000096446513 463270942 /nfs/dbraw/zinc/27/09/42/463270942.db2.gz UXGQSSKKEFOSOL-UHFFFAOYSA-N 0 0 342.733 2.467 40 0 EEABRN O=C(c1cccc(O)c1)N1CCN(Cc2noc3c2CCCC3)CC1 ZINC000096452938 463273115 /nfs/dbraw/zinc/27/31/15/463273115.db2.gz MADKVDOBQPXCIN-UHFFFAOYSA-N 0 0 341.411 2.217 40 0 EEABRN Cc1nccn1-c1ccc(F)cc1CNS(=O)(=O)CCCF ZINC000096456123 463275615 /nfs/dbraw/zinc/27/56/15/463275615.db2.gz FGOAIEPIJGRYIL-UHFFFAOYSA-N 0 0 329.372 2.099 40 0 EEABRN CN(Cc1ccccc1OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000096489414 463285050 /nfs/dbraw/zinc/28/50/50/463285050.db2.gz DXXRUSOOBBSAAG-KRWDZBQOSA-N 0 0 346.452 2.280 40 0 EEABRN C[C@@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000096490786 463286456 /nfs/dbraw/zinc/28/64/56/463286456.db2.gz BOUGOURLHCHXOR-SJKOYZFVSA-N 0 0 339.374 2.284 40 0 EEABRN C[C@@]1(O)CCCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C1 ZINC000096494193 463287765 /nfs/dbraw/zinc/28/77/65/463287765.db2.gz LRBGXXAECLFRSY-OAHLLOKOSA-N 0 0 338.770 2.047 40 0 EEABRN O=C(c1ccnnc1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096492997 463287783 /nfs/dbraw/zinc/28/77/83/463287783.db2.gz DVELTSUQNSBQFN-UHFFFAOYSA-N 0 0 333.395 2.114 40 0 EEABRN Cc1oc2nc[nH]c(=O)c2c1C(=O)N=c1sc2ccccc2n1C ZINC000030672892 463308392 /nfs/dbraw/zinc/30/83/92/463308392.db2.gz ISDGEQQHIZPSEC-KNTRCKAVSA-N 0 0 340.364 2.119 40 0 EEABRN O=C(NCc1ccccc1-n1ccnc1)[C@@H]1COc2ccccc2O1 ZINC000030862190 463315055 /nfs/dbraw/zinc/31/50/55/463315055.db2.gz GEDBVLYHSASPQM-SFHVURJKSA-N 0 0 335.363 2.329 40 0 EEABRN CC(C)c1noc(CCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000097234324 463352991 /nfs/dbraw/zinc/35/29/91/463352991.db2.gz BSIUXXOLBRETBK-ZDUSSCGKSA-N 0 0 332.408 2.395 40 0 EEABRN COC(=O)CN1CCC(Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000097371271 463355041 /nfs/dbraw/zinc/35/50/41/463355041.db2.gz UZQJQIPGNFFPLM-UHFFFAOYSA-N 0 0 328.416 2.230 40 0 EEABRN CN1C(SCc2ccccc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508659 463380904 /nfs/dbraw/zinc/38/09/04/463380904.db2.gz CHQNNBHWCNYKOY-VXGBXAGGSA-N 0 0 330.862 2.040 40 0 EEABRN O=C(CCC(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1ccccc1 ZINC000081293997 463414737 /nfs/dbraw/zinc/41/47/37/463414737.db2.gz SXKCSFXXSQEUOE-KRWDZBQOSA-N 0 0 342.420 2.411 40 0 EEABRN C[C@@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H](O)C2=O ZINC000036371969 463436136 /nfs/dbraw/zinc/43/61/36/463436136.db2.gz VVINKEMRHIOYTI-FEACJRBJSA-N 0 0 334.456 2.499 40 0 EEABRN COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000036635332 463437210 /nfs/dbraw/zinc/43/72/10/463437210.db2.gz SLNMATYHZMBTNJ-OAHLLOKOSA-N 0 0 326.352 2.448 40 0 EEABRN Cc1noc(CNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)n1 ZINC000161757327 463455402 /nfs/dbraw/zinc/45/54/02/463455402.db2.gz SEHZJHQBROKUGR-QHCPKHFHSA-N 0 0 348.306 2.327 40 0 EEABRN Cc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCO3)CCC(=O)N2C)cc1 ZINC000057355938 463480647 /nfs/dbraw/zinc/48/06/47/463480647.db2.gz OMPUWUUVLXMVDR-LZLYRXPVSA-N 0 0 330.428 2.200 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241452 463486707 /nfs/dbraw/zinc/48/67/07/463486707.db2.gz KOGVJJGPWDBBDB-HZPDHXFCSA-N 0 0 336.819 2.251 40 0 EEABRN CCc1nccn1-c1cncc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355579 463509440 /nfs/dbraw/zinc/50/94/40/463509440.db2.gz SBDBNBWFPPACQA-AWEZNQCLSA-N 0 0 335.415 2.399 40 0 EEABRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC000170663659 463691634 /nfs/dbraw/zinc/69/16/34/463691634.db2.gz IDYUHBCUDMCZOY-CQSZACIVSA-N 0 0 348.834 2.020 40 0 EEABRN Cc1csc2nc(=O)c3cc(Sc4nncn4C)ccc3n12 ZINC000044831470 463694746 /nfs/dbraw/zinc/69/47/46/463694746.db2.gz CPOGPZHTYLNQDJ-UHFFFAOYSA-N 0 0 329.410 2.497 40 0 EEABRN C[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1nc(C(C)(C)C)no1 ZINC000177582418 463742220 /nfs/dbraw/zinc/74/22/20/463742220.db2.gz PLFXNCWVNOFIPW-CHWSQXEVSA-N 0 0 346.435 2.499 40 0 EEABRN O=C([O-])c1ccccc1-n1cnc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257228433 463756420 /nfs/dbraw/zinc/75/64/20/463756420.db2.gz FTVCFVMZUXUGDD-CYBMUJFWSA-N 0 0 337.383 2.283 40 0 EEABRN Cc1cc(NC(=O)[C@@H](C)n2cc(COc3ccccc3)nn2)n(C)n1 ZINC000257173602 463756760 /nfs/dbraw/zinc/75/67/60/463756760.db2.gz SBGOMXPYTMBTFI-CYBMUJFWSA-N 0 0 340.387 2.099 40 0 EEABRN COCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2cc(C)no2)CC1 ZINC000257265468 463758546 /nfs/dbraw/zinc/75/85/46/463758546.db2.gz LYUAWPYOZGCWHE-HDJSIYSDSA-N 0 0 346.431 2.420 40 0 EEABRN CC(=O)N1CCN(C(=O)COc2ccccc2)C[C@H]1c1ccccc1 ZINC000257299139 463769282 /nfs/dbraw/zinc/76/92/82/463769282.db2.gz ROWRPUZJOYSJFK-IBGZPJMESA-N 0 0 338.407 2.497 40 0 EEABRN COCC[N@@H+]1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1 ZINC000257306398 463770239 /nfs/dbraw/zinc/77/02/39/463770239.db2.gz SUECTLOVPHCLPT-AWEZNQCLSA-N 0 0 341.411 2.353 40 0 EEABRN CN1C[C@H](C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)CC1=O ZINC000257317348 463775587 /nfs/dbraw/zinc/77/55/87/463775587.db2.gz VJKBWSHNJPAISM-SNVBAGLBSA-N 0 0 341.864 2.155 40 0 EEABRN CNc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 ZINC000257325988 463777934 /nfs/dbraw/zinc/77/79/34/463777934.db2.gz WVHKILATACIPPI-MRXNPFEDSA-N 0 0 341.367 2.066 40 0 EEABRN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC000257339770 463785860 /nfs/dbraw/zinc/78/58/60/463785860.db2.gz ZDCGOWNUCXILOZ-AWEZNQCLSA-N 0 0 334.383 2.200 40 0 EEABRN CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)c(C)c2c1 ZINC000257341404 463785965 /nfs/dbraw/zinc/78/59/65/463785965.db2.gz ZKDZKTIQLMNEDJ-JFIYKMOQSA-N 0 0 346.427 2.269 40 0 EEABRN Cn1c(C(=O)N2CCOC[C@H]2c2cc[nH]n2)cc2cc(F)ccc21 ZINC000257341697 463786604 /nfs/dbraw/zinc/78/66/04/463786604.db2.gz ZLLQYUQVVGNYJW-INIZCTEOSA-N 0 0 328.347 2.254 40 0 EEABRN Cc1cccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 ZINC000260895418 463792726 /nfs/dbraw/zinc/79/27/26/463792726.db2.gz IHKVTHXTVJYMSA-ZIAGYGMSSA-N 0 0 326.462 2.310 40 0 EEABRN O=C(Cn1c(=O)onc1-c1cnccn1)c1csc2ccccc12 ZINC000194535352 463880138 /nfs/dbraw/zinc/88/01/38/463880138.db2.gz JYPDKBRJQAUJNW-UHFFFAOYSA-N 0 0 338.348 2.391 40 0 EEABRN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278737875 463979024 /nfs/dbraw/zinc/97/90/24/463979024.db2.gz INRLEUKRQURNQJ-LLVKDONJSA-N 0 0 347.820 2.065 40 0 EEABRN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000178815926 463982268 /nfs/dbraw/zinc/98/22/68/463982268.db2.gz AQJLVTREGGPXSV-UKRRQHHQSA-N 0 0 340.489 2.006 40 0 EEABRN COc1cccc(CS(=O)(=O)c2nnc(-c3ccoc3C)n2C)c1 ZINC000195109786 463992543 /nfs/dbraw/zinc/99/25/43/463992543.db2.gz VOKJWXYCNHURPW-UHFFFAOYSA-N 0 0 347.396 2.366 40 0 EEABRN C[C@@H]1CO[C@@H](C)CN1C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186774792 464064020 /nfs/dbraw/zinc/06/40/20/464064020.db2.gz BZKXFBZRYCJNLY-NEPJUHHUSA-N 0 0 337.386 2.080 40 0 EEABRN O=C(OCc1ccc(-n2ccnc2)nc1)c1cnc(C(F)(F)F)nc1 ZINC000195570921 464078383 /nfs/dbraw/zinc/07/83/83/464078383.db2.gz ZSWDYQNFPVFTJK-UHFFFAOYSA-N 0 0 349.272 2.433 40 0 EEABRN CCc1cccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000224266452 464149335 /nfs/dbraw/zinc/14/93/35/464149335.db2.gz KCSJRUZKVAZPSH-UHFFFAOYSA-N 0 0 340.431 2.435 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1C ZINC000225104928 464152862 /nfs/dbraw/zinc/15/28/62/464152862.db2.gz TVFQRHZUSMXIBF-UHFFFAOYSA-N 0 0 349.408 2.139 40 0 EEABRN Cc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c(C)c1 ZINC000225191131 464154878 /nfs/dbraw/zinc/15/48/78/464154878.db2.gz ZKFSQVXDBKSMOR-AWEZNQCLSA-N 0 0 326.462 2.230 40 0 EEABRN COc1ccc(S(=O)(=O)N2CCc3ccc(N)cc32)cc1OC ZINC000225328008 464155292 /nfs/dbraw/zinc/15/52/92/464155292.db2.gz QTOUCKREMQFABR-UHFFFAOYSA-N 0 0 334.397 2.037 40 0 EEABRN COc1cccc(O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000225266276 464156479 /nfs/dbraw/zinc/15/64/79/464156479.db2.gz PAKFPHCWEMPWLD-XJKSGUPXSA-N 0 0 343.379 2.419 40 0 EEABRN CCOC(=O)[C@@H](CC)Sc1nnnn1-c1cccc(NC(C)=O)c1 ZINC000225440085 464160121 /nfs/dbraw/zinc/16/01/21/464160121.db2.gz ZCSXQCWSVIBPAO-CYBMUJFWSA-N 0 0 349.416 2.055 40 0 EEABRN O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)c1cccc2n[nH]nc21 ZINC000225482780 464165374 /nfs/dbraw/zinc/16/53/74/464165374.db2.gz ALLWQJCOTRHLDX-ZDUSSCGKSA-N 0 0 334.738 2.214 40 0 EEABRN O=C([C@H]1CCc2nc[nH]c2C1)N1CCN(c2ccccc2F)CC1 ZINC000225508650 464166609 /nfs/dbraw/zinc/16/66/09/464166609.db2.gz ZFCJXJYYQCGZIY-ZDUSSCGKSA-N 0 0 328.391 2.003 40 0 EEABRN COc1cc(C)n(CCNC(=O)CCc2ccccc2C)c(=O)c1 ZINC000225615271 464177228 /nfs/dbraw/zinc/17/72/28/464177228.db2.gz WIFITPPSXRNEFG-UHFFFAOYSA-N 0 0 328.412 2.223 40 0 EEABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225828262 464181796 /nfs/dbraw/zinc/18/17/96/464181796.db2.gz VFCXACNGIUYQFB-UHFFFAOYSA-N 0 0 329.805 2.099 40 0 EEABRN C[C@H](O)CN1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000284755610 464325182 /nfs/dbraw/zinc/32/51/82/464325182.db2.gz FRVBEPRKNWXOOL-HNNXBMFYSA-N 0 0 328.416 2.008 40 0 EEABRN CCOc1nccn2c(CNC(=O)/C(C)=C/c3ccccc3)nnc12 ZINC000240002204 464445642 /nfs/dbraw/zinc/44/56/42/464445642.db2.gz POTLBBDUAQZDEL-UHFFFAOYSA-N 0 0 337.383 2.243 40 0 EEABRN C[C@H]1CCc2ccccc2N1C(=O)CCNC(=O)c1cccc(=O)[nH]1 ZINC000241287473 464451658 /nfs/dbraw/zinc/45/16/58/464451658.db2.gz LLTCWXLHGQEBCY-ZDUSSCGKSA-N 0 0 339.395 2.275 40 0 EEABRN CCS(=O)(=O)c1ccc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000241447107 464453268 /nfs/dbraw/zinc/45/32/68/464453268.db2.gz NRFLGBSAFYPLIE-YOEHRIQHSA-N 0 0 339.457 2.255 40 0 EEABRN CCOC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242614825 464457775 /nfs/dbraw/zinc/45/77/75/464457775.db2.gz PIWJASYTVXHSOK-KSZLIROESA-N 0 0 331.437 2.360 40 0 EEABRN Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000189605131 464532527 /nfs/dbraw/zinc/53/25/27/464532527.db2.gz MTQQEHDVBFUXKB-CYBMUJFWSA-N 0 0 328.420 2.228 40 0 EEABRN Cc1cc(Br)oc1C(=O)N[C@@H](CO)Cc1ccncc1 ZINC000281997149 464662207 /nfs/dbraw/zinc/66/22/07/464662207.db2.gz VYTYEVMGCPYVNS-LLVKDONJSA-N 0 0 339.189 2.079 40 0 EEABRN O=C(NCc1cn2ccsc2n1)N1CCC(Cn2cccn2)CC1 ZINC000265730802 464663768 /nfs/dbraw/zinc/66/37/68/464663768.db2.gz SADSDLPAHIFWKM-UHFFFAOYSA-N 0 0 344.444 2.214 40 0 EEABRN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1nccs1)c1ccco1 ZINC000247470452 464682788 /nfs/dbraw/zinc/68/27/88/464682788.db2.gz FGBDWEMQSSHFIW-ZENOOKHLSA-N 0 0 347.440 2.146 40 0 EEABRN Cc1cccc(CN2CC3(C2)OCC[C@H]3COCC2CCOCC2)n1 ZINC000247878366 464711563 /nfs/dbraw/zinc/71/15/63/464711563.db2.gz QCWUVDICCDZSLE-SFHVURJKSA-N 0 0 346.471 2.424 40 0 EEABRN O=C(c1cscn1)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000247895176 464713344 /nfs/dbraw/zinc/71/33/44/464713344.db2.gz ZTINAHJCJNSUCJ-LBPRGKRZSA-N 0 0 333.438 2.317 40 0 EEABRN CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000273956149 464730647 /nfs/dbraw/zinc/73/06/47/464730647.db2.gz HZOAUULKIXTZOD-CYBMUJFWSA-N 0 0 335.404 2.225 40 0 EEABRN CC(C)(C)n1cc(CN2CCN(C(=O)NC3CCCCC3)CC2)nn1 ZINC000191222614 464802315 /nfs/dbraw/zinc/80/23/15/464802315.db2.gz GEMKPISOPCOJPE-UHFFFAOYSA-N 0 0 348.495 2.193 40 0 EEABRN Cc1ncc(CN2CC[C@@H](C)S(=O)(=O)CC2)n1-c1ccccc1 ZINC000192049624 464856246 /nfs/dbraw/zinc/85/62/46/464856246.db2.gz SCQXJVBOTXSXKH-CQSZACIVSA-N 0 0 333.457 2.190 40 0 EEABRN O=C(NCC1CCC2(CC1)OCCO2)NC1Cc2ccccc2C1 ZINC000192294729 464899573 /nfs/dbraw/zinc/89/95/73/464899573.db2.gz PTWRRAPFDHPASB-UHFFFAOYSA-N 0 0 330.428 2.386 40 0 EEABRN COC(=O)CCCn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192498860 464936943 /nfs/dbraw/zinc/93/69/43/464936943.db2.gz FDHBJZRYVAUDEM-UHFFFAOYSA-N 0 0 332.125 2.449 40 0 EEABRN CC(C)SCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000252480302 464961074 /nfs/dbraw/zinc/96/10/74/464961074.db2.gz BZOIXJMQVYGCGZ-DLBZAZTESA-N 0 0 341.565 2.441 40 0 EEABRN CO[C@@H](CSc1nnc(C)n1CC(N)=O)c1ccc(Cl)cc1 ZINC000252492085 464968285 /nfs/dbraw/zinc/96/82/85/464968285.db2.gz MBXHPZNENKUDJM-LBPRGKRZSA-N 0 0 340.836 2.205 40 0 EEABRN Cn1c(CNC(=O)[C@](C)(O)CCc2ccccc2)nnc1C1CCC1 ZINC000252492928 464968411 /nfs/dbraw/zinc/96/84/11/464968411.db2.gz MXSGWCZQSOQXDG-LJQANCHMSA-N 0 0 342.443 2.083 40 0 EEABRN O=S(=O)(CCCC(F)(F)F)Nc1ccc(Cn2cncn2)cc1 ZINC000252507915 464974070 /nfs/dbraw/zinc/97/40/70/464974070.db2.gz WWTSDGFKTLKTRM-UHFFFAOYSA-N 0 0 348.350 2.411 40 0 EEABRN COC[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515644 464978186 /nfs/dbraw/zinc/97/81/86/464978186.db2.gz MJFGSCNYKZIVNU-RCCFBDPRSA-N 0 0 349.427 2.357 40 0 EEABRN Cc1csc(NC2CCN(c3cnn(C)c(=O)c3Cl)CC2)n1 ZINC000253420965 465009180 /nfs/dbraw/zinc/00/91/80/465009180.db2.gz NXNKVUYMECDBLX-UHFFFAOYSA-N 0 0 339.852 2.280 40 0 EEABRN C[C@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)CCCO1 ZINC000253430824 465013266 /nfs/dbraw/zinc/01/32/66/465013266.db2.gz MAEFDYAWEHCJIN-NSHDSACASA-N 0 0 347.337 2.343 40 0 EEABRN CC(C)OCc1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000253430613 465013712 /nfs/dbraw/zinc/01/37/12/465013712.db2.gz RJMLMBSHRBYYTN-KRWDZBQOSA-N 0 0 333.432 2.160 40 0 EEABRN Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCn2nccc2C1 ZINC000253472660 465016316 /nfs/dbraw/zinc/01/63/16/465016316.db2.gz ODZZMRUXNRQQMA-NSHDSACASA-N 0 0 325.821 2.138 40 0 EEABRN C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1cn[nH]c1 ZINC000332763098 466563386 /nfs/dbraw/zinc/56/33/86/466563386.db2.gz UBCIJCWFKRSKSJ-YPMHNXCESA-N 0 0 332.429 2.343 40 0 EEABRN Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)cc1C ZINC000408550773 466681526 /nfs/dbraw/zinc/68/15/26/466681526.db2.gz DWHFRSOOIMDXKB-UHFFFAOYSA-N 0 0 343.358 2.136 40 0 EEABRN O=C(c1ccc(F)c(F)c1F)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC000390828909 467412676 /nfs/dbraw/zinc/41/26/76/467412676.db2.gz VHQNYOXYOSVKTH-VIFPVBQESA-N 0 0 341.264 2.327 40 0 EEABRN COC(=O)[C@](C)(O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000390835155 467415007 /nfs/dbraw/zinc/41/50/07/467415007.db2.gz FJFYIOCLUQWKGB-GFCCVEGCSA-N 0 0 339.697 2.013 40 0 EEABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 ZINC000408096853 467508506 /nfs/dbraw/zinc/50/85/06/467508506.db2.gz GMRFLOXXAKOZQN-GFCCVEGCSA-N 0 0 337.401 2.417 40 0 EEABRN CCOCC(=O)N1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000575405637 468141440 /nfs/dbraw/zinc/14/14/40/468141440.db2.gz SWOQAKQASMJLFL-OAHLLOKOSA-N 0 0 336.457 2.030 40 0 EEABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)[C@H]4C[C@@H]4C)C3)C2)cs1 ZINC000575403728 468141782 /nfs/dbraw/zinc/14/17/82/468141782.db2.gz JINVJGWKJNTDLO-GLQYFDAESA-N 0 0 336.457 2.384 40 0 EEABRN COc1ccc(C(=O)NCc2cncc(N3CCCC3=O)c2)cc1F ZINC000575607910 468146333 /nfs/dbraw/zinc/14/63/33/468146333.db2.gz LCRDVYXHHRSQCH-UHFFFAOYSA-N 0 0 343.358 2.286 40 0 EEABRN CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)COc1ccccc1C ZINC000585094816 468963720 /nfs/dbraw/zinc/96/37/20/468963720.db2.gz NUICDMHYEWXPAG-OAHLLOKOSA-N 0 0 343.427 2.097 40 0 EEABRN CC(C)N1C[C@@]2(CC1=O)COCCN(Cc1cc(F)ccc1F)C2 ZINC000585104148 468971713 /nfs/dbraw/zinc/97/17/13/468971713.db2.gz JMSJCVJYPNIAMS-SFHVURJKSA-N 0 0 338.398 2.424 40 0 EEABRN CCOCC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC ZINC000585107484 468972473 /nfs/dbraw/zinc/97/24/73/468972473.db2.gz XGJRZNHTUSJYBW-LJQANCHMSA-N 0 0 340.427 2.176 40 0 EEABRN O=C(Cc1ccccn1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585275688 468998579 /nfs/dbraw/zinc/99/85/79/468998579.db2.gz DKHWPICTEJURFD-ROUUACIJSA-N 0 0 328.387 2.358 40 0 EEABRN CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000585277270 469002265 /nfs/dbraw/zinc/00/22/65/469002265.db2.gz LRADWEVFCJRILK-GOSISDBHSA-N 0 0 336.407 2.282 40 0 EEABRN CO[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1Cc1ccc(F)cc1 ZINC000585277818 469003169 /nfs/dbraw/zinc/00/31/69/469003169.db2.gz PQJAUSKXLSXQJQ-IRXDYDNUSA-N 0 0 329.375 2.478 40 0 EEABRN CC(=O)N1CCC[C@@]1(CO)CC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000585281565 469007402 /nfs/dbraw/zinc/00/74/02/469007402.db2.gz ZMEAGIOPOQYGSR-KRWDZBQOSA-N 0 0 338.835 2.062 40 0 EEABRN O=C(CCn1cccc1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585286218 469008977 /nfs/dbraw/zinc/00/89/77/469008977.db2.gz VIIXXIFXWFXWMG-LSBZLQRGSA-N 0 0 346.402 2.352 40 0 EEABRN Cc1cccc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)c1 ZINC000585287752 469009208 /nfs/dbraw/zinc/00/92/08/469009208.db2.gz DTHXQYQSCJLHNP-HNAYVOBHSA-N 0 0 330.428 2.413 40 0 EEABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCC(C)CC2)c(C)c1 ZINC000243069506 485536295 /nfs/dbraw/zinc/53/62/95/485536295.db2.gz IKHFHPZOKPUWBJ-UHFFFAOYSA-N 0 0 338.473 2.149 40 0 EEABRN C[C@@H]1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000191437336 534351158 /nfs/dbraw/zinc/35/11/58/534351158.db2.gz MLDAXOBIPVHDGK-MFKMUULPSA-N 0 0 332.322 2.405 40 0 EEABRN CCOc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1ccccn1 ZINC000047620567 521544456 /nfs/dbraw/zinc/54/44/56/521544456.db2.gz WBKRWFXFRFSHSP-GFCCVEGCSA-N 0 0 334.397 2.281 40 0 EEABRN CC(=O)Nc1cc(C(=O)N2CCC[C@H]2c2cncc(C)n2)ccn1 ZINC000257243832 534683786 /nfs/dbraw/zinc/68/37/86/534683786.db2.gz IITHKISMURBWOV-HNNXBMFYSA-N 0 0 325.372 2.116 40 0 EEABRN CCC[C@@H]1C[C@H]1NC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000095408015 527854441 /nfs/dbraw/zinc/85/44/41/527854441.db2.gz MKMBCIGEKMZOLY-HUUCEWRRSA-N 0 0 346.475 2.384 40 0 EEABRN COc1ccc(CC(=O)N2CC3(C2)OCC[C@H]3COCC2CC2)cc1 ZINC000247942272 536820149 /nfs/dbraw/zinc/82/01/49/536820149.db2.gz XTAXANVQYUDCSM-KRWDZBQOSA-N 0 0 345.439 2.282 40 0 EEABRN CC(=O)N[C@H](C(=O)/N=c1/sccn1Cc1ccccc1F)C(C)C ZINC000170091520 564177403 /nfs/dbraw/zinc/17/74/03/564177403.db2.gz KBQWTHPPJWCQIO-WATITHJCSA-N 0 0 349.431 2.325 40 0 EEABRN Cc1ccc(Nc2nc(N(C)C)nc(N3CCOCC3)n2)cc1C ZINC000041124410 1352494888 /nfs/dbraw/zinc/49/48/88/1352494888.db2.gz UKPZYIYJZGYJFD-UHFFFAOYSA-N 0 0 328.420 2.135 40 0 EEABRN Cc1ccc(Cl)cc1CNC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC001548453236 1124295166 /nfs/dbraw/zinc/29/51/66/1124295166.db2.gz UYKHBNMTUATRMX-GFCCVEGCSA-N 0 0 344.864 2.367 40 0 EEABRN CC(C)N1CCN(CC(=O)Nc2cccnn2)Cc2ccccc21 ZINC001548453965 1124295565 /nfs/dbraw/zinc/29/55/65/1124295565.db2.gz BJYBTZKPIRRZNF-UHFFFAOYSA-N 0 0 325.416 2.146 40 0 EEABRN CN(C)C(=O)COc1cccc(NCc2nc(-c3ccco3)no2)c1 ZINC000055871597 214346496 /nfs/dbraw/zinc/34/64/96/214346496.db2.gz IMHXPCRGGQABIF-UHFFFAOYSA-N 0 0 342.355 2.409 40 0 EEABRN C[C@@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccnc1 ZINC000056928220 214395667 /nfs/dbraw/zinc/39/56/67/214395667.db2.gz ZPAAPPAIJYZPGH-CQSZACIVSA-N 0 0 326.400 2.100 40 0 EEABRN Cc1cc(CN2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)no1 ZINC000097953505 219063695 /nfs/dbraw/zinc/06/36/95/219063695.db2.gz MEPVEZNUTQPKCB-LESCRADOSA-N 0 0 328.416 2.470 40 0 EEABRN O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)c1cccs1 ZINC000004260416 210154100 /nfs/dbraw/zinc/15/41/00/210154100.db2.gz LLGWSRRXFSAKOI-XOSAIJSUSA-N 0 0 345.420 2.230 40 0 biogenic,in-vitro EEABRN COc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1Cl ZINC000003606071 210064723 /nfs/dbraw/zinc/06/47/23/210064723.db2.gz JEOUYUWGOLSOMC-UHFFFAOYSA-N 0 0 334.759 2.465 40 0 EEABRN CN1C(=O)CC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 ZINC000096080215 282606927 /nfs/dbraw/zinc/60/69/27/282606927.db2.gz ITULGFWEBJLTID-UHFFFAOYSA-N 0 0 342.424 2.079 40 0 EEABRN O=C(CCc1ccncc1)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000181461846 234195053 /nfs/dbraw/zinc/19/50/53/234195053.db2.gz AGCOCLJJQCKBDC-ZDUSSCGKSA-N 0 0 345.349 2.214 40 0 EEABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(F)cc2)n1 ZINC000035999509 213054252 /nfs/dbraw/zinc/05/42/52/213054252.db2.gz BWXXZOWKFHTXEC-AZQPONJRSA-N 0 0 337.354 2.382 40 0 EEABRN CCc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1 ZINC000035290430 213018404 /nfs/dbraw/zinc/01/84/04/213018404.db2.gz ISJNKJRIHRHVER-UHFFFAOYSA-N 0 0 339.424 2.469 40 0 EEABRN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(C2CC2)C1 ZINC000031903438 212756521 /nfs/dbraw/zinc/75/65/21/212756521.db2.gz AGRUDOMTJKXXHM-LBPRGKRZSA-N 0 0 327.384 2.078 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1cccc(F)c1 ZINC000072241908 216080674 /nfs/dbraw/zinc/08/06/74/216080674.db2.gz KXTKTFULJNRYOW-AEFFLSMTSA-N 0 0 341.386 2.447 40 0 EEABRN Cc1nnsc1C(=O)N[C@@H](Cn1c2ccccc2oc1=O)C(C)C ZINC000072324351 216151113 /nfs/dbraw/zinc/15/11/13/216151113.db2.gz SBTCRNJUAHNISI-NSHDSACASA-N 0 0 346.412 2.209 40 0 EEABRN COCC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360291 216165576 /nfs/dbraw/zinc/16/55/76/216165576.db2.gz VCRBEUCZMGFEAS-LBPRGKRZSA-N 0 0 333.417 2.295 40 0 EEABRN Cc1ccc(NC(=O)C[C@@H]([NH2+]C[C@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000000195696 209476985 /nfs/dbraw/zinc/47/69/85/209476985.db2.gz VKMIWJQQHDJFNJ-TZMCWYRMSA-N 0 0 340.807 2.199 40 0 EEABRN CS(=O)(=O)N[C@@H]1CCCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000131350524 223225673 /nfs/dbraw/zinc/22/56/73/223225673.db2.gz IXMVUNSAWUEHDS-GFCCVEGCSA-N 0 0 339.848 2.406 40 0 EEABRN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC(F)F ZINC000132429983 223330327 /nfs/dbraw/zinc/33/03/27/223330327.db2.gz LRYZFVFBKPIZJG-LLVKDONJSA-N 0 0 337.330 2.324 40 0 EEABRN O=C(NC[C@](O)(c1cccs1)C1CC1)[C@H]1COc2ccccc2O1 ZINC000075155292 216586970 /nfs/dbraw/zinc/58/69/70/216586970.db2.gz ZGIDQMVAEXIQQL-CRAIPNDOSA-N 0 0 345.420 2.302 40 0 EEABRN Cc1nccc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000193470990 240178524 /nfs/dbraw/zinc/17/85/24/240178524.db2.gz PPTXPPLFENNCAS-CQSZACIVSA-N 0 0 344.440 2.158 40 0 EEABRN Cc1c(-c2cc(CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)on2)cnn1C ZINC000193745051 240292242 /nfs/dbraw/zinc/29/22/42/240292242.db2.gz NPZNPVCOBOGINO-KRWDZBQOSA-N 0 0 345.403 2.240 40 0 EEABRN C[C@H](NCc1nnnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000195550140 241000044 /nfs/dbraw/zinc/00/00/44/241000044.db2.gz WVCAEDIUUSRPOA-AWEZNQCLSA-N 0 0 346.398 2.094 40 0 EEABRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000195559993 241009706 /nfs/dbraw/zinc/00/97/06/241009706.db2.gz KPSGECXAEALWDU-SNVBAGLBSA-N 0 0 348.834 2.330 40 0 EEABRN COCc1nnc2sc(-c3cncc(Br)c3)nn12 ZINC000216757360 241208224 /nfs/dbraw/zinc/20/82/24/241208224.db2.gz FOHSZPWDWPWHQF-UHFFFAOYSA-N 0 0 326.179 2.157 40 0 EEABRN COc1ccc2[nH]c([S@@](=O)Cc3[nH]cc(C)c(=O)c3C)nc2c1 ZINC000022060966 212274009 /nfs/dbraw/zinc/27/40/09/212274009.db2.gz VSOAYQZFYNZNKR-HSZRJFAPSA-N 0 0 331.397 2.184 40 0 in-vitro EEABRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](CO)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218171500 241304581 /nfs/dbraw/zinc/30/45/81/241304581.db2.gz MSIWLWCTKVVSOR-JCGIZDLHSA-N 0 0 346.404 2.272 40 0 EEABRN Cc1ccccc1[C@@H]1CCN(C(=O)Cn2ncccc2=O)CCS1 ZINC000219289562 241374272 /nfs/dbraw/zinc/37/42/72/241374272.db2.gz MUAGJZUBZUMVQF-INIZCTEOSA-N 0 0 343.452 2.259 40 0 EEABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCc2ccccc21 ZINC000223322434 241633510 /nfs/dbraw/zinc/63/35/10/241633510.db2.gz ZDPUZGUQSNMFHC-UHFFFAOYSA-N 0 0 330.365 2.181 40 0 EEABRN COC(=O)c1cc(S(=O)(=O)NCCCc2ccco2)ccc1C ZINC000223368912 241640880 /nfs/dbraw/zinc/64/08/80/241640880.db2.gz WRLWGYWIDULSDW-UHFFFAOYSA-N 0 0 337.397 2.286 40 0 EEABRN C[C@H](CCC1CC1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000225491553 241897196 /nfs/dbraw/zinc/89/71/96/241897196.db2.gz RYSZDOGMSJWWIF-OIISXLGYSA-N 0 0 334.460 2.123 40 0 EEABRN COc1nccnc1O[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000225805960 242044753 /nfs/dbraw/zinc/04/47/53/242044753.db2.gz PEOFQBAJSPLRHT-CYBMUJFWSA-N 0 0 338.367 2.260 40 0 EEABRN O=C1[C@@H](Nc2nnc(-c3ccon3)s2)CCN1Cc1ccccc1 ZINC000225818662 242050762 /nfs/dbraw/zinc/05/07/62/242050762.db2.gz SUHYQHYQABHUJQ-ZDUSSCGKSA-N 0 0 341.396 2.406 40 0 EEABRN CN(C)S(=O)(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000225755562 242021808 /nfs/dbraw/zinc/02/18/08/242021808.db2.gz SVBRNKSOBVUQTP-GFCCVEGCSA-N 0 0 340.342 2.382 40 0 EEABRN C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)N(C)C ZINC000226754647 242113455 /nfs/dbraw/zinc/11/34/55/242113455.db2.gz SURBWOPUSRTZSZ-MRVPVSSYSA-N 0 0 326.194 2.191 40 0 EEABRN COc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1Cl ZINC000242831292 243022228 /nfs/dbraw/zinc/02/22/28/243022228.db2.gz FQNXLRNXBGYJDE-UHFFFAOYSA-N 0 0 348.790 2.228 40 0 EEABRN O=C(CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@H]1CCCO1 ZINC000245287325 243103620 /nfs/dbraw/zinc/10/36/20/243103620.db2.gz BXQDEDKVOOXXME-DOTOQJQBSA-N 0 0 348.418 2.016 40 0 EEABRN C[C@H](C[S@](C)=O)N(C)C(=O)c1cc(N(C)C)c2ccccc2n1 ZINC000253408060 243919031 /nfs/dbraw/zinc/91/90/31/243919031.db2.gz TZLHBPJVDMVUSR-SPSFWMDKSA-N 0 0 333.457 2.140 40 0 EEABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000253477881 243998937 /nfs/dbraw/zinc/99/89/37/243998937.db2.gz HZXPRNMNOQXRRG-INIZCTEOSA-N 0 0 349.427 2.405 40 0 EEABRN Cc1cc(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)CC2)c(C)o1 ZINC000253537352 244017895 /nfs/dbraw/zinc/01/78/95/244017895.db2.gz QBTXISPLYDFGMS-UHFFFAOYSA-N 0 0 330.388 2.099 40 0 EEABRN Cc1cc(C(=O)N2Cc3cccn3[C@@H](COc3ccccn3)C2)on1 ZINC000253600436 244035238 /nfs/dbraw/zinc/03/52/38/244035238.db2.gz PNCBQLVDAPBDCC-OAHLLOKOSA-N 0 0 338.367 2.456 40 0 EEABRN COCC(=O)N1CCC[C@@H]1c1cncc(-c2ccnn2C(C)C)n1 ZINC000257210890 244149861 /nfs/dbraw/zinc/14/98/61/244149861.db2.gz BWOAEYHCEHQVHA-OAHLLOKOSA-N 0 0 329.404 2.231 40 0 EEABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cscn2)ccn1 ZINC000257215047 244162828 /nfs/dbraw/zinc/16/28/28/244162828.db2.gz COKDWDGCZQIZTF-HNNXBMFYSA-N 0 0 330.413 2.152 40 0 EEABRN Cn1c(CN2CCO[C@@H](CCc3ccncn3)C2)nc2ccccc21 ZINC000257224633 244195427 /nfs/dbraw/zinc/19/54/27/244195427.db2.gz FCQKQYFNXMYZAI-INIZCTEOSA-N 0 0 337.427 2.197 40 0 EEABRN CN(C(=O)CCCn1ccnc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257231808 244215604 /nfs/dbraw/zinc/21/56/04/244215604.db2.gz GIHBRESHGFVRBI-MRXNPFEDSA-N 0 0 327.432 2.186 40 0 EEABRN CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(F)cc1 ZINC000257242293 244249226 /nfs/dbraw/zinc/24/92/26/244249226.db2.gz IBUQOWOGVVIFGN-SFHVURJKSA-N 0 0 328.391 2.195 40 0 EEABRN CN(C)S(=O)(=O)N1CCC[C@H]1c1ccc(-c2nccs2)cn1 ZINC000257240814 244241474 /nfs/dbraw/zinc/24/14/74/244241474.db2.gz HVHLFDJKXHKWBG-ZDUSSCGKSA-N 0 0 338.458 2.148 40 0 EEABRN O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000257242096 244246600 /nfs/dbraw/zinc/24/66/00/244246600.db2.gz IBCGKOBJQDEKAY-AWEZNQCLSA-N 0 0 338.411 2.070 40 0 EEABRN Cc1nc([C@H]2CN(C(=O)CCc3cccs3)CCO2)cc(=O)[nH]1 ZINC000257247284 244260689 /nfs/dbraw/zinc/26/06/89/244260689.db2.gz IYHGZSOKINQLQJ-CQSZACIVSA-N 0 0 333.413 2.085 40 0 EEABRN COCC(=O)N1CC[C@H](c2cc(Nc3ncccc3C)nc(C)n2)C1 ZINC000257248796 244262783 /nfs/dbraw/zinc/26/27/83/244262783.db2.gz JFFNXPZKMREADJ-AWEZNQCLSA-N 0 0 341.415 2.194 40 0 EEABRN Cc1cnc(-c2ncccc2C[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000257255555 244280678 /nfs/dbraw/zinc/28/06/78/244280678.db2.gz KHXZDTVWGSSYPD-GFCCVEGCSA-N 0 0 337.470 2.338 40 0 EEABRN Cc1c[nH]c([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)n1 ZINC000257258849 244290832 /nfs/dbraw/zinc/29/08/32/244290832.db2.gz KVTUZKHVZMMIQT-ZDUSSCGKSA-N 0 0 341.820 2.134 40 0 EEABRN CN(C)c1cc([C@H]2CCCN2C(=O)COc2cccnc2)ccn1 ZINC000257271039 244377194 /nfs/dbraw/zinc/37/71/94/244377194.db2.gz MWOFZLMZXSFPGJ-MRXNPFEDSA-N 0 0 326.400 2.285 40 0 EEABRN Cc1cc([C@H]2CN(C(=O)Cn3cnc4ccccc43)CCO2)ccn1 ZINC000257315221 244501168 /nfs/dbraw/zinc/50/11/68/244501168.db2.gz VAKSAKSHUAGUFX-GOSISDBHSA-N 0 0 336.395 2.340 40 0 EEABRN Cc1nc(N2CCOCC2)sc1C(=O)N[C@H](C)c1ccccn1 ZINC000019658169 212054481 /nfs/dbraw/zinc/05/44/81/212054481.db2.gz MNMBDMSZDYGVFD-LLVKDONJSA-N 0 0 332.429 2.174 40 0 EEABRN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@@H](C)Cc1ccccn1 ZINC000019577610 212045925 /nfs/dbraw/zinc/04/59/25/212045925.db2.gz IEVZYQNIHARBJG-VIFPVBQESA-N 0 0 344.387 2.200 40 0 EEABRN CC[C@@H](C)S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019500013 212034217 /nfs/dbraw/zinc/03/42/17/212034217.db2.gz UVHGEFVUCZCPSH-CYBMUJFWSA-N 0 0 340.493 2.312 40 0 EEABRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cccnc2)C1 ZINC000078057844 217016251 /nfs/dbraw/zinc/01/62/51/217016251.db2.gz NMGHJFYVWQCMEH-HNNXBMFYSA-N 0 0 332.448 2.166 40 0 EEABRN Cc1ncccc1C(=O)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000078666302 217098157 /nfs/dbraw/zinc/09/81/57/217098157.db2.gz HBDAFAURAOVXPK-UHFFFAOYSA-N 0 0 337.423 2.307 40 0 EEABRN Cc1cc(C)n2ncc(-c3noc(CCN4CCSC4=O)n3)c2n1 ZINC000078774374 217118505 /nfs/dbraw/zinc/11/85/05/217118505.db2.gz FMKXKAHTKYSPCE-UHFFFAOYSA-N 0 0 344.400 2.107 40 0 EEABRN O=C(CCc1cccnc1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000078997527 217170316 /nfs/dbraw/zinc/17/03/16/217170316.db2.gz HKWXRDRDRNHKBA-OAHLLOKOSA-N 0 0 327.359 2.075 40 0 EEABRN C[C@@H](C(=O)NC1(c2ccc(Br)cc2)CC1)n1cncn1 ZINC000079039450 217179867 /nfs/dbraw/zinc/17/98/67/217179867.db2.gz SQUOXVMWUWTWTL-JTQLQIEISA-N 0 0 335.205 2.407 40 0 EEABRN C[C@@H](Cn1cncn1)NC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000079306167 217205423 /nfs/dbraw/zinc/20/54/23/217205423.db2.gz IXJFYVXHTLJRQL-LBPRGKRZSA-N 0 0 328.351 2.418 40 0 EEABRN Cc1ccccc1CNC(=O)CNc1ccc(S(C)(=O)=O)cc1C ZINC000079311351 217207069 /nfs/dbraw/zinc/20/70/69/217207069.db2.gz YPISFISNBFUYQF-UHFFFAOYSA-N 0 0 346.452 2.435 40 0 EEABRN FC(F)(F)c1ccc(NC(=S)NCCN2CCOCC2)cc1 ZINC000016237494 211890949 /nfs/dbraw/zinc/89/09/49/211890949.db2.gz WBTSPTOEAAFYLH-UHFFFAOYSA-N 0 0 333.379 2.324 40 0 EEABRN CCO[C@@H](C)c1noc(CNC(=O)c2c[nH]nc2-c2ccccc2)n1 ZINC000080665096 217324557 /nfs/dbraw/zinc/32/45/57/217324557.db2.gz BDNBUCMQQZFSLK-NSHDSACASA-N 0 0 341.371 2.487 40 0 EEABRN CN(Cc1cccc(C(N)=O)c1)C(=O)c1occc1Br ZINC000081048793 217354619 /nfs/dbraw/zinc/35/46/19/217354619.db2.gz DSJSQZYTWQCUSS-UHFFFAOYSA-N 0 0 337.173 2.413 40 0 EEABRN O=C(c1ccccn1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000013267762 211540313 /nfs/dbraw/zinc/54/03/13/211540313.db2.gz GCYHMQNBVRWDNV-UHFFFAOYSA-N 0 0 336.395 2.099 40 0 EEABRN COC(=O)[C@H]1CN(C(=O)c2snnc2C)C[C@@H]1c1ccc(F)cc1 ZINC000012157252 211309199 /nfs/dbraw/zinc/30/91/99/211309199.db2.gz KNSPZJKZMHCHSD-OLZOCXBDSA-N 0 0 349.387 2.014 40 0 EEABRN C[C@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000012116840 211296244 /nfs/dbraw/zinc/29/62/44/211296244.db2.gz NOCAUZOBZDWKNP-BTDLBPIBSA-N 0 0 342.374 2.482 40 0 EEABRN c1cn(CCCNc2nc3ccccc3nc2N2CCOCC2)cn1 ZINC000091424830 218003284 /nfs/dbraw/zinc/00/32/84/218003284.db2.gz PRTOMRFPCFKZAU-UHFFFAOYSA-N 0 0 338.415 2.165 40 0 EEABRN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096199662 218670978 /nfs/dbraw/zinc/67/09/78/218670978.db2.gz RDMJJDSCCLGPKR-SJORKVTESA-N 0 0 342.439 2.030 40 0 EEABRN COCCO[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H]1Cc1cccnc1 ZINC000096200514 218671791 /nfs/dbraw/zinc/67/17/91/218671791.db2.gz RCUCCGCUUDWIIY-QZTJIDSGSA-N 0 0 344.411 2.472 40 0 EEABRN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cccs1)CC2 ZINC000096201589 218674804 /nfs/dbraw/zinc/67/48/04/218674804.db2.gz IODYOJFUNDUJLT-ZDUSSCGKSA-N 0 0 348.468 2.380 40 0 EEABRN O=C(c1cccs1)N1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096240898 218713972 /nfs/dbraw/zinc/71/39/72/218713972.db2.gz XHATXDKMEQDYAT-AWEZNQCLSA-N 0 0 348.468 2.239 40 0 EEABRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096402828 218750640 /nfs/dbraw/zinc/75/06/40/218750640.db2.gz BPHMJVQDNNLWHB-JKSUJKDBSA-N 0 0 329.379 2.320 40 0 EEABRN COC(=O)[C@H](c1cccnc1)N1CCC(c2nncn2C(C)C)CC1 ZINC000096501255 291802207 /nfs/dbraw/zinc/80/22/07/291802207.db2.gz ZFLMJPKBDIUKCW-INIZCTEOSA-N 0 0 343.431 2.348 40 0 EEABRN Cc1nn(C)c(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1C ZINC000096418676 218782429 /nfs/dbraw/zinc/78/24/29/218782429.db2.gz XUDVUXNHPODABP-QGZVFWFLSA-N 0 0 342.443 2.267 40 0 EEABRN Cc1ccc(CNC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)n1C ZINC000096420613 218784809 /nfs/dbraw/zinc/78/48/09/218784809.db2.gz UDMIWHSGWDFIJZ-MRXNPFEDSA-N 0 0 348.491 2.417 40 0 EEABRN CCN(C)c1ccccc1NC(=O)NCC(=O)N(C)CC(F)(F)F ZINC000096434910 218812779 /nfs/dbraw/zinc/81/27/79/218812779.db2.gz FMHUTSVOBRVKTQ-UHFFFAOYSA-N 0 0 346.353 2.285 40 0 EEABRN CC(C)N(C)S(=O)(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000096447405 218830666 /nfs/dbraw/zinc/83/06/66/218830666.db2.gz DBLFDOKSBRROQN-UHFFFAOYSA-N 0 0 349.460 2.278 40 0 EEABRN C[C@@](NC(=O)c1ccoc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096454527 218838349 /nfs/dbraw/zinc/83/83/49/218838349.db2.gz QWVKLMPEXAFHGJ-AWEZNQCLSA-N 0 0 326.274 2.429 40 0 EEABRN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCc2ccccc21 ZINC000096473347 218851086 /nfs/dbraw/zinc/85/10/86/218851086.db2.gz UHYBMKNIGUMEHK-CABCVRRESA-N 0 0 341.415 2.246 40 0 EEABRN Cc1cccc(-c2cncc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000096481370 218856885 /nfs/dbraw/zinc/85/68/85/218856885.db2.gz AGWQLFAMXUSSLM-SFHVURJKSA-N 0 0 344.436 2.364 40 0 EEABRN C[S@](=O)c1nncn1CCCc1ccccc1Br ZINC000096501850 218878205 /nfs/dbraw/zinc/87/82/05/218878205.db2.gz UONLHVUZNQSHHI-GOSISDBHSA-N 0 0 328.235 2.411 40 0 EEABRN CCCNC(=S)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC000004888698 210312817 /nfs/dbraw/zinc/31/28/17/210312817.db2.gz WEMHSLCIBLVSHR-UHFFFAOYSA-N 0 0 335.473 2.174 40 0 EEABRN COc1ccc(C)nc1NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000097378589 219020292 /nfs/dbraw/zinc/02/02/92/219020292.db2.gz NPPOMZSMSYFCGJ-UHFFFAOYSA-N 0 0 343.309 2.473 40 0 EEABRN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000192192160 533131592 /nfs/dbraw/zinc/13/15/92/533131592.db2.gz IUBCBYNDZNMXRI-RBSFLKMASA-N 0 0 338.473 2.255 40 0 EEABRN COC(=O)C1(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)CCCCC1 ZINC000183802562 533198364 /nfs/dbraw/zinc/19/83/64/533198364.db2.gz GAKUUUGGLWMDTM-OAHLLOKOSA-N 0 0 348.447 2.390 40 0 EEABRN Cc1ccccc1CNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224907133 292629895 /nfs/dbraw/zinc/62/98/95/292629895.db2.gz BBZNSPOUSBHKCT-KRWDZBQOSA-N 0 0 346.452 2.244 40 0 EEABRN C[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)c1cccc(F)c1F ZINC000285655750 274769106 /nfs/dbraw/zinc/76/91/06/274769106.db2.gz ONIDWKLWKGFCGE-VIFPVBQESA-N 0 0 331.384 2.498 40 0 EEABRN CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@@H](C)[S@]1=O ZINC000287360666 274957469 /nfs/dbraw/zinc/95/74/69/274957469.db2.gz NSYCJTBOOFEYGD-DEZJAYQZSA-N 0 0 333.409 2.165 40 0 EEABRN CC(C)N1CCOC[C@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 ZINC000067898825 277612893 /nfs/dbraw/zinc/61/28/93/277612893.db2.gz MQZSBKDDVFSEHU-INIZCTEOSA-N 0 0 349.456 2.262 40 0 biogenic,in-vitro EEABRN COc1cccc(-c2c3c(ccn(C4CC4)c3=O)nc3ncnn32)c1 ZINC000040398229 278005699 /nfs/dbraw/zinc/00/56/99/278005699.db2.gz RIBRYLJVQDPKDH-UHFFFAOYSA-N 0 0 333.351 2.450 40 0 EEABRN Cc1nccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000171992796 279163938 /nfs/dbraw/zinc/16/39/38/279163938.db2.gz LPVPIXPFARBGKO-FUHWJXTLSA-N 0 0 338.411 2.011 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(C(F)(F)F)nn32)c1 ZINC000008559306 281241731 /nfs/dbraw/zinc/24/17/31/281241731.db2.gz KTXBUGRRVDJXPY-SECBINFHSA-N 0 0 339.277 2.127 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cn1 ZINC000096239257 281571713 /nfs/dbraw/zinc/57/17/13/281571713.db2.gz GVYTZZACMOHZFQ-KRWDZBQOSA-N 0 0 342.424 2.116 40 0 EEABRN NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC000096494130 295192486 /nfs/dbraw/zinc/19/24/86/295192486.db2.gz QXEGNAMLNCANEO-UHFFFAOYSA-N 0 0 335.083 2.148 40 0 EEABRN C[C@@](O)(CNC(=O)c1ccccc1N1CCOCC1)c1ccsc1 ZINC000080892191 297852423 /nfs/dbraw/zinc/85/24/23/297852423.db2.gz ZHDDKAMFTLVCIJ-GOSISDBHSA-N 0 0 346.452 2.222 40 0 EEABRN O=C1CCCC(=O)C1C(c1ccccc1O)C1C(=O)CCCC1=O ZINC000100360393 304622953 /nfs/dbraw/zinc/62/29/53/304622953.db2.gz MEZDXNOQZGRNNN-UHFFFAOYSA-N 0 0 328.364 2.352 40 0 EEABRN C[C@]12CCCN1C(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000253630259 300868367 /nfs/dbraw/zinc/86/83/67/300868367.db2.gz QXGJPXQWBIOROK-LJQANCHMSA-N 0 0 347.459 2.374 40 0 EEABRN Cn1ccc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000096496487 302954940 /nfs/dbraw/zinc/95/49/40/302954940.db2.gz MJUOUUGTUAGNLF-GFCCVEGCSA-N 0 0 329.408 2.107 40 0 EEABRN O=S(=O)(c1ccc(F)cc1Cl)N1CCCC[C@H]1C1OCCO1 ZINC000060348907 304775131 /nfs/dbraw/zinc/77/51/31/304775131.db2.gz GHMVAIMNBNHDDO-LBPRGKRZSA-N 0 0 349.811 2.395 40 0 EEABRN O[C@@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000004078546 304838795 /nfs/dbraw/zinc/83/87/95/304838795.db2.gz XEYVZLZWQFLSDZ-RBZJEDDUSA-N 0 0 340.416 2.224 40 0 EEABRN C[C@@H](COC1CCCC1)CS(=O)(=O)N1CC2(C1)CCCOC2 ZINC000328752235 311617792 /nfs/dbraw/zinc/61/77/92/311617792.db2.gz NHPZDGPPDHHBLE-AWEZNQCLSA-N 0 0 331.478 2.024 40 0 EEABRN C[C@H](C(=O)N[C@H]1CCc2cc(F)ccc21)n1nnnc1C(C)(C)C ZINC000331690846 311891031 /nfs/dbraw/zinc/89/10/31/311891031.db2.gz XBAZYDRAQZXMTN-YGRLFVJLSA-N 0 0 331.395 2.474 40 0 EEABRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCCC2 ZINC000333669043 312180805 /nfs/dbraw/zinc/18/08/05/312180805.db2.gz IKYJXHDDIYGFPP-CVEARBPZSA-N 0 0 337.427 2.413 40 0 EEABRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C(=O)OC ZINC000565786129 319214413 /nfs/dbraw/zinc/21/44/13/319214413.db2.gz KCABMIGMFDWHOQ-SCZZXKLOSA-N 0 0 345.321 2.214 40 0 EEABRN CCCN(C(=O)c1cnc2c(c1)nnn2C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000097237038 323321149 /nfs/dbraw/zinc/32/11/49/323321149.db2.gz FHPBZDHCBZFOCW-CABCVRRESA-N 0 0 345.447 2.419 40 0 EEABRN O=C(NCCCc1cccc(F)c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000097102926 323321320 /nfs/dbraw/zinc/32/13/20/323321320.db2.gz FXBWSDGKLDFRRB-UHFFFAOYSA-N 0 0 347.434 2.412 40 0 EEABRN O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(F)cc2[nH]cnc21 ZINC000097376128 323322230 /nfs/dbraw/zinc/32/22/30/323322230.db2.gz OAGZODOFEGQFRF-UHFFFAOYSA-N 0 0 340.362 2.436 40 0 EEABRN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)[C@@H]1CCCO1 ZINC000155937715 323333036 /nfs/dbraw/zinc/33/30/36/323333036.db2.gz FUURELXWLQEFGA-KGLIPLIRSA-N 0 0 349.431 2.418 40 0 EEABRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2 ZINC000165238578 323334828 /nfs/dbraw/zinc/33/48/28/323334828.db2.gz QGYFATOFJDDODT-QZTJIDSGSA-N 0 0 344.455 2.115 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2 ZINC000165238654 323334842 /nfs/dbraw/zinc/33/48/42/323334842.db2.gz QGYFATOFJDDODT-MSOLQXFVSA-N 0 0 344.455 2.115 40 0 EEABRN Cc1ccc(NC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000085470474 462550623 /nfs/dbraw/zinc/55/06/23/462550623.db2.gz RYGSHSGPFFWFPM-UHFFFAOYSA-N 0 0 326.404 2.181 40 0 EEABRN COc1cccc(CC(=O)NCc2cc(-c3ccncc3)n(C)n2)c1 ZINC000085556258 462552725 /nfs/dbraw/zinc/55/27/25/462552725.db2.gz FDWHVUUNQQVSNE-UHFFFAOYSA-N 0 0 336.395 2.350 40 0 EEABRN CC(C)(C)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 ZINC000045162887 462564446 /nfs/dbraw/zinc/56/44/46/462564446.db2.gz FXOCAQDAKJZUMY-UHFFFAOYSA-N 0 0 334.460 2.201 40 0 EEABRN COC(=O)C1CCN(C(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000060873419 462567983 /nfs/dbraw/zinc/56/79/83/462567983.db2.gz LZEKTKSSRVBJJN-UHFFFAOYSA-N 0 0 325.792 2.439 40 0 EEABRN COc1ccc(C(F)(F)F)cc1NC(=O)c1nc2ncccn2n1 ZINC000000923938 462575070 /nfs/dbraw/zinc/57/50/70/462575070.db2.gz OSVQZFFLJVYFQL-UHFFFAOYSA-N 0 0 337.261 2.404 40 0 EEABRN Cc1ccccc1-c1cc(NC(=O)CCN2CCCC2=O)n(C)n1 ZINC000074285523 462578948 /nfs/dbraw/zinc/57/89/48/462578948.db2.gz RIMSSCHUJNALII-UHFFFAOYSA-N 0 0 326.400 2.347 40 0 EEABRN COc1cc2c(cc1OC)[C@](Cc1ccc(O)cc1)(C(=O)[O-])[NH2+]CC2 ZINC000003847488 462624817 /nfs/dbraw/zinc/62/48/17/462624817.db2.gz ZJOKSZSIKCPBFR-LJQANCHMSA-N 0 0 343.379 2.078 40 0 EEABRN COc1cccc(CCNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 ZINC000074733519 462628593 /nfs/dbraw/zinc/62/85/93/462628593.db2.gz YXNKZTAJQPGBDC-GFCCVEGCSA-N 0 0 340.379 2.387 40 0 EEABRN Nc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000004944764 462641251 /nfs/dbraw/zinc/64/12/51/462641251.db2.gz YAUIFKIMCSUTNV-LURJTMIESA-N 0 0 325.155 2.133 40 0 EEABRN O[C@@H]1O[C@@H](COc2cc(Cl)c(Cl)cc2Cl)CO[C@@H]1O ZINC000005722637 462667244 /nfs/dbraw/zinc/66/72/44/462667244.db2.gz JGIHPWVJUMJHHI-UTBOHETQSA-N 0 0 329.563 2.078 40 0 EEABRN CCOc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1 ZINC000006355209 462682825 /nfs/dbraw/zinc/68/28/25/462682825.db2.gz GMYLCCMLKUMAEH-UHFFFAOYSA-N 0 0 342.461 2.014 40 0 EEABRN COCCNC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000006327420 462683302 /nfs/dbraw/zinc/68/33/02/462683302.db2.gz XPPOGBBGZKIKBN-UHFFFAOYSA-N 0 0 348.472 2.456 40 0 EEABRN CC(C)CNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000006326211 462683328 /nfs/dbraw/zinc/68/33/28/462683328.db2.gz KKSOTGPQMILTBG-UHFFFAOYSA-N 0 0 340.489 2.468 40 0 EEABRN Cc1ccc(N2C[C@@H](C(=O)N3[C@@H]4CC[C@H]3COC4)CC2=O)cc1C ZINC000075166531 462690866 /nfs/dbraw/zinc/69/08/66/462690866.db2.gz JINGGYMPWIQMEJ-BHYGNILZSA-N 0 0 328.412 2.046 40 0 EEABRN Cc1cc(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)ncn1 ZINC000075166366 462691101 /nfs/dbraw/zinc/69/11/01/462691101.db2.gz UORFGEWZSRIMLO-UHFFFAOYSA-N 0 0 345.834 2.470 40 0 EEABRN COCCCn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O ZINC000006679268 462696267 /nfs/dbraw/zinc/69/62/67/462696267.db2.gz YZOJVCDTIAEKAF-UHFFFAOYSA-N 0 0 348.399 2.449 40 0 EEABRN CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006945547 462713960 /nfs/dbraw/zinc/71/39/60/462713960.db2.gz NAVWIOQEFHZJLD-MNOVXSKESA-N 0 0 332.853 2.312 40 0 EEABRN COc1ncccc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000047553951 462798737 /nfs/dbraw/zinc/79/87/37/462798737.db2.gz XKUJIXCDLVVHMD-UHFFFAOYSA-N 0 0 327.319 2.371 40 0 EEABRN COc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl ZINC000010363038 462818990 /nfs/dbraw/zinc/81/89/90/462818990.db2.gz LBOCPTLCCBDUNP-SNVBAGLBSA-N 0 0 348.852 2.028 40 0 EEABRN Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)CN3C)n2)cc1 ZINC000012529748 462854013 /nfs/dbraw/zinc/85/40/13/462854013.db2.gz LGEGUZTXPIZBLT-GJZGRUSLSA-N 0 0 343.431 2.498 40 0 biogenic,in-vitro EEABRN CCOC(=O)C1CCN(C(=S)NC(=O)c2ccccc2C)CC1 ZINC000013624870 462896566 /nfs/dbraw/zinc/89/65/66/462896566.db2.gz BJXVFYFIYWITJF-UHFFFAOYSA-N 0 0 334.441 2.285 40 0 EEABRN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)[C@H]1CCOC1 ZINC000133388914 462926180 /nfs/dbraw/zinc/92/61/80/462926180.db2.gz QFHKYUMMBYNWJX-MNOVXSKESA-N 0 0 348.262 2.461 40 0 EEABRN COCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1 ZINC000014795967 462932735 /nfs/dbraw/zinc/93/27/35/462932735.db2.gz JENIBMUXNNBDNQ-UHFFFAOYSA-N 0 0 342.395 2.470 40 0 EEABRN Cc1ccc(-n2nnnc2N2CCC(OC3CCOCC3)CC2)cc1 ZINC000077227049 462955684 /nfs/dbraw/zinc/95/56/84/462955684.db2.gz BJRJCWYSGOETGL-UHFFFAOYSA-N 0 0 343.431 2.135 40 0 EEABRN C[C@@H]1CO[C@H](CO)CN1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000133803962 462972093 /nfs/dbraw/zinc/97/20/93/462972093.db2.gz SOHDHMUXNPKRSI-WXHSDQCUSA-N 0 0 332.322 2.081 40 0 EEABRN COc1cccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)c1 ZINC000016806975 462989746 /nfs/dbraw/zinc/98/97/46/462989746.db2.gz GBIMAZWFIDAQIX-UHFFFAOYSA-N 0 0 329.385 2.174 40 0 EEABRN COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1C ZINC000017070795 462994451 /nfs/dbraw/zinc/99/44/51/462994451.db2.gz LFQZVFAFMSWWAT-JTQLQIEISA-N 0 0 336.775 2.170 40 0 EEABRN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCCCC3)=N2)cc1 ZINC000017071553 462994919 /nfs/dbraw/zinc/99/49/19/462994919.db2.gz KWWXWUIZLQYFAP-MRXNPFEDSA-N 0 0 342.443 2.479 40 0 EEABRN C[C@@H](C(=O)NCc1ccco1)n1nc(-c2cccs2)cc(N)c1=O ZINC000019080445 463014046 /nfs/dbraw/zinc/01/40/46/463014046.db2.gz KOMJKLDZPKUGAL-JTQLQIEISA-N 0 0 344.396 2.024 40 0 EEABRN CC(C)NC(=O)CN1c2cc(Cl)ccc2C2=NCCCN2C1=O ZINC000019449913 463017593 /nfs/dbraw/zinc/01/75/93/463017593.db2.gz WXVRSZQRKICTJH-UHFFFAOYSA-N 0 0 334.807 2.257 40 0 EEABRN CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694904 463019824 /nfs/dbraw/zinc/01/98/24/463019824.db2.gz YJKCCQRSZFHEOV-INIZCTEOSA-N 0 0 344.390 2.269 40 0 EEABRN CCOCCCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000077682208 463022170 /nfs/dbraw/zinc/02/21/70/463022170.db2.gz AOCNOGAJQMZHNQ-UHFFFAOYSA-N 0 0 347.184 2.070 40 0 EEABRN CCO[C@@H](C)c1noc(CN2CCN(c3cccc(F)n3)CC2)n1 ZINC000078508753 463123591 /nfs/dbraw/zinc/12/35/91/463123591.db2.gz WMHDQHVHZJPYAV-LBPRGKRZSA-N 0 0 335.383 2.023 40 0 EEABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(C)nn1CC)C2 ZINC000096039481 463143891 /nfs/dbraw/zinc/14/38/91/463143891.db2.gz RNDVICGVEPOIRF-WMZOPIPTSA-N 0 0 335.448 2.259 40 0 EEABRN CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096043242 463147600 /nfs/dbraw/zinc/14/76/00/463147600.db2.gz YVULARZQQNQPOA-XHSDSOJGSA-N 0 0 349.500 2.381 40 0 EEABRN CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2ncn(CC3CC3)c21 ZINC000096045137 463149356 /nfs/dbraw/zinc/14/93/56/463149356.db2.gz XPZIGSHNAQFMOM-CQSZACIVSA-N 0 0 344.415 2.366 40 0 EEABRN O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@@H](c3nccs3)O[C@@H]2C1 ZINC000096045783 463150101 /nfs/dbraw/zinc/15/01/01/463150101.db2.gz GBSYHFQURNNPBQ-TUKIKUTGSA-N 0 0 344.392 2.474 40 0 EEABRN O=C(c1cccs1)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC000096046471 463150426 /nfs/dbraw/zinc/15/04/26/463150426.db2.gz RKBSGKXSRIDEMP-UHFFFAOYSA-N 0 0 327.409 2.131 40 0 EEABRN O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1 ZINC000096073817 463167788 /nfs/dbraw/zinc/16/77/88/463167788.db2.gz VNSNUXQNQVVPRX-BLLLJJGKSA-N 0 0 332.429 2.347 40 0 EEABRN O=C1Nc2ccccc2C12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000096078899 463168387 /nfs/dbraw/zinc/16/83/87/463168387.db2.gz XRHOWRRONZBGHE-UHFFFAOYSA-N 0 0 348.449 2.423 40 0 EEABRN O=C(Nc1cc(-n2cccn2)ncn1)c1ccc(Cn2ccnc2)cc1 ZINC000096097980 463172302 /nfs/dbraw/zinc/17/23/02/463172302.db2.gz JSGDRPNDILITQP-UHFFFAOYSA-N 0 0 345.366 2.159 40 0 EEABRN COC[C@H]1CC2(CO1)CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000096105841 463174254 /nfs/dbraw/zinc/17/42/54/463174254.db2.gz QSAHGLHBPGPUBZ-MRXNPFEDSA-N 0 0 337.391 2.249 40 0 EEABRN CCOc1ccc(CCC(=O)N2C[C@@H]3COC[C@]3(COC)C2)cc1 ZINC000096108658 463176478 /nfs/dbraw/zinc/17/64/78/463176478.db2.gz ZZHVVIHKOLTKCG-VQIMIIECSA-N 0 0 333.428 2.139 40 0 EEABRN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(Br)cc1 ZINC000135580760 463178510 /nfs/dbraw/zinc/17/85/10/463178510.db2.gz DDLFUOHHPHVOHL-JOYOIKCWSA-N 0 0 334.235 2.046 40 0 EEABRN Cn1nccc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096109358 463178595 /nfs/dbraw/zinc/17/85/95/463178595.db2.gz RMDMBGCRZJGRFA-BEFAXECRSA-N 0 0 340.427 2.274 40 0 EEABRN O=C(C1CC=CC1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110383 463178816 /nfs/dbraw/zinc/17/88/16/463178816.db2.gz QOLAXMNIEIOHAL-MJGOQNOKSA-N 0 0 328.412 2.434 40 0 EEABRN CC(C)C(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1 ZINC000096146911 463186390 /nfs/dbraw/zinc/18/63/90/463186390.db2.gz WQXXFNRZCWNZFB-UHFFFAOYSA-N 0 0 344.440 2.374 40 0 EEABRN CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3ccco3)ccc2NC1=O ZINC000096182226 463194206 /nfs/dbraw/zinc/19/42/06/463194206.db2.gz CGCTWWYXOQZAGT-QGZVFWFLSA-N 0 0 344.323 2.185 40 0 EEABRN CCS(=O)(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189523 463201390 /nfs/dbraw/zinc/20/13/90/463201390.db2.gz UHTHCHBVTWTIEA-UHFFFAOYSA-N 0 0 349.456 2.014 40 0 EEABRN Cc1cccc(N2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)n1 ZINC000096199848 463205524 /nfs/dbraw/zinc/20/55/24/463205524.db2.gz AJACCBXRDJARDI-MRXNPFEDSA-N 0 0 339.443 2.108 40 0 EEABRN O=C(C[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208465 463212366 /nfs/dbraw/zinc/21/23/66/463212366.db2.gz FKVOCMMSUOHNOD-NWANDNLSSA-N 0 0 347.440 2.032 40 0 EEABRN Cc1cc(C(=O)N2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)c(C)o1 ZINC000096209940 463213214 /nfs/dbraw/zinc/21/32/14/463213214.db2.gz NGJHDEVDQLHILS-KCQAQPDRSA-N 0 0 331.372 2.060 40 0 EEABRN Cc1ccsc1C(=O)N1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096220470 463218169 /nfs/dbraw/zinc/21/81/69/463218169.db2.gz FFWJEJVRFKCNLI-RWMBFGLXSA-N 0 0 333.413 2.220 40 0 EEABRN c1nnc(N2CCOC[C@@]3(CCCN(c4ccccn4)C3)C2)s1 ZINC000096229246 463221706 /nfs/dbraw/zinc/22/17/06/463221706.db2.gz JSKPDVDZOHKOIG-MRXNPFEDSA-N 0 0 331.445 2.057 40 0 EEABRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)c1ccno1)CC2 ZINC000096227858 463222218 /nfs/dbraw/zinc/22/22/18/463222218.db2.gz OWNPPPWFLWIPLA-CQSZACIVSA-N 0 0 331.416 2.223 40 0 EEABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21 ZINC000096241930 463225656 /nfs/dbraw/zinc/22/56/56/463225656.db2.gz IVSISHXRIFPHAH-AWEZNQCLSA-N 0 0 329.444 2.325 40 0 EEABRN CN(C)C(=O)CNC(=O)c1nc2c(s1)CCCN2c1ccccc1 ZINC000096264627 463231542 /nfs/dbraw/zinc/23/15/42/463231542.db2.gz YMFPXGKDMVOGFQ-UHFFFAOYSA-N 0 0 344.440 2.045 40 0 EEABRN CN(C[C@@H]1CCCCO1)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000096404751 463239154 /nfs/dbraw/zinc/23/91/54/463239154.db2.gz RIPYPGDZYPLBLM-NSHDSACASA-N 0 0 342.798 2.236 40 0 EEABRN Cc1nc(-c2cnn(C)c2)sc1C(=O)OCCCn1cccn1 ZINC000096407083 463240488 /nfs/dbraw/zinc/24/04/88/463240488.db2.gz UYMOJPUOXAWEML-UHFFFAOYSA-N 0 0 331.401 2.296 40 0 EEABRN C[C@H](C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O)n1cccn1 ZINC000096406482 463240735 /nfs/dbraw/zinc/24/07/35/463240735.db2.gz HVWFLGQSIFNTDW-GDBMZVCRSA-N 0 0 326.400 2.098 40 0 EEABRN C[S@](=O)CCNC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000096408781 463241199 /nfs/dbraw/zinc/24/11/99/463241199.db2.gz BVLGDDBNIIBHPF-HXPMCKFVSA-N 0 0 345.262 2.114 40 0 EEABRN COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(C)n2C)c1 ZINC000096408635 463241548 /nfs/dbraw/zinc/24/15/48/463241548.db2.gz BDEZJMFMITXLCZ-QHCPKHFHSA-N 0 0 334.441 2.481 40 0 EEABRN CN(C)c1ccc(CCNC(=O)NCC[S@](=O)C(C)(C)C)cc1 ZINC000096408834 463241831 /nfs/dbraw/zinc/24/18/31/463241831.db2.gz HVJRVRFXWIXFPM-HSZRJFAPSA-N 0 0 339.505 2.142 40 0 EEABRN C[C@H](CCN1CCOCC1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000096410156 463242919 /nfs/dbraw/zinc/24/29/19/463242919.db2.gz UTPNOXLYDYJCJN-FYCOFBDGSA-N 0 0 339.439 2.475 40 0 EEABRN CCS(=O)(=O)c1cccc(NC(=O)CCc2c(C)nn(C)c2C)c1 ZINC000096411079 463244222 /nfs/dbraw/zinc/24/42/22/463244222.db2.gz AJVXZXYMCOQAMR-UHFFFAOYSA-N 0 0 349.456 2.402 40 0 EEABRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(Br)c1 ZINC000096412812 463244632 /nfs/dbraw/zinc/24/46/32/463244632.db2.gz QIZKRCPCPSNZLX-ZJUUUORDSA-N 0 0 346.246 2.097 40 0 EEABRN Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000096415341 463248502 /nfs/dbraw/zinc/24/85/02/463248502.db2.gz MMLPVSRUTBKGPW-LBPRGKRZSA-N 0 0 333.363 2.300 40 0 EEABRN CC1(C)[C@H](NC(=O)NCCOCCc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000096421592 463252473 /nfs/dbraw/zinc/25/24/73/463252473.db2.gz KMRQVNKZCQDSAV-ZACQAIPSSA-N 0 0 332.444 2.358 40 0 EEABRN O=C(CCNC(=O)c1cnc2ccsc2c1)NCc1ccncc1 ZINC000096425101 463255061 /nfs/dbraw/zinc/25/50/61/463255061.db2.gz AQJJWBKASFDTEH-UHFFFAOYSA-N 0 0 340.408 2.128 40 0 EEABRN Cc1n[nH]c(C)c1NC(=O)CN(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424449 463255091 /nfs/dbraw/zinc/25/50/91/463255091.db2.gz XIHLKHSBHFFUJL-MRXNPFEDSA-N 0 0 346.406 2.302 40 0 EEABRN C[C@H](CCc1cccn1C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000096425746 463255378 /nfs/dbraw/zinc/25/53/78/463255378.db2.gz SETKHLHOFOHGRQ-GDBMZVCRSA-N 0 0 331.460 2.111 40 0 EEABRN Cc1ccc(C)c([C@H]2CN(C(=O)c3nccnc3N)[C@@H](C)CO2)c1 ZINC000096426741 463255926 /nfs/dbraw/zinc/25/59/26/463255926.db2.gz UCRCWHDOGMDQLL-DZGCQCFKSA-N 0 0 326.400 2.278 40 0 EEABRN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000096434343 463262420 /nfs/dbraw/zinc/26/24/20/463262420.db2.gz KEXMJXVHEGXTCN-MRXNPFEDSA-N 0 0 341.415 2.016 40 0 EEABRN Cn1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000096434421 463262541 /nfs/dbraw/zinc/26/25/41/463262541.db2.gz LJLKGUIAIBWPIO-GFCCVEGCSA-N 0 0 347.806 2.391 40 0 EEABRN CN(CC(F)(F)F)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096436121 463263420 /nfs/dbraw/zinc/26/34/20/463263420.db2.gz LQXMLOGLGSBUSW-AWEZNQCLSA-N 0 0 330.350 2.298 40 0 EEABRN C[C@H](NC(=O)NCCc1cccc(C(=O)N(C)C)c1)c1ccccn1 ZINC000096437619 463265608 /nfs/dbraw/zinc/26/56/08/463265608.db2.gz SGJUCDVTPIJNPB-AWEZNQCLSA-N 0 0 340.427 2.386 40 0 EEABRN CCO[C@@H]1C[C@H](NC(=O)NCCCc2cnn(C)c2)C12CCCC2 ZINC000096439722 463266261 /nfs/dbraw/zinc/26/62/61/463266261.db2.gz XDRMOKAXRLRSKX-JKSUJKDBSA-N 0 0 334.464 2.390 40 0 EEABRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@](C)(O)c1cccs1 ZINC000096450335 463272186 /nfs/dbraw/zinc/27/21/86/463272186.db2.gz FNKHCNGAAXVXMD-PXAZEXFGSA-N 0 0 338.473 2.157 40 0 EEABRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cn1)C(=O)Nc1cc[nH]n1 ZINC000096449551 463272216 /nfs/dbraw/zinc/27/22/16/463272216.db2.gz ONJVLIHJXCJTRM-GFCCVEGCSA-N 0 0 335.795 2.241 40 0 EEABRN C[C@H](CCS(C)(=O)=O)NC(=O)NCCc1ccccc1Cl ZINC000096474802 463280521 /nfs/dbraw/zinc/28/05/21/463280521.db2.gz STDGOJNPYVUNDB-LLVKDONJSA-N 0 0 332.853 2.005 40 0 EEABRN CC[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)c1ccc(Cl)cc1 ZINC000096486979 463285106 /nfs/dbraw/zinc/28/51/06/463285106.db2.gz KFRGAWHYUBRMAF-XJKSGUPXSA-N 0 0 338.835 2.197 40 0 EEABRN Cc1cnc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)nc1C ZINC000096486600 463285502 /nfs/dbraw/zinc/28/55/02/463285502.db2.gz AHQJTLXHCBMNMG-UHFFFAOYSA-N 0 0 346.456 2.041 40 0 EEABRN CC(C)CS(=O)(=O)N1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC000096495329 463288667 /nfs/dbraw/zinc/28/86/67/463288667.db2.gz RFDAPTIEUNQPES-UHFFFAOYSA-N 0 0 342.505 2.443 40 0 EEABRN CC(C)S(=O)(=O)c1ccc(CC(=O)N(C)Cc2cccn2C)cc1 ZINC000096500503 463289914 /nfs/dbraw/zinc/28/99/14/463289914.db2.gz BYCHKHQFQVUACY-UHFFFAOYSA-N 0 0 348.468 2.408 40 0 EEABRN Cc1c(C(=O)N(C)Cc2cccc(F)c2)cnn1-c1ccc(=O)[nH]n1 ZINC000097061736 463314392 /nfs/dbraw/zinc/31/43/92/463314392.db2.gz RTXZYKJTLNUJHH-UHFFFAOYSA-N 0 0 341.346 2.088 40 0 EEABRN COC(=O)[C@H](c1ccccc1C)N1CCN(C(=O)c2ccoc2)CC1 ZINC000097094866 463321516 /nfs/dbraw/zinc/32/15/16/463321516.db2.gz IPFIKEMGKIFSTA-KRWDZBQOSA-N 0 0 342.395 2.260 40 0 EEABRN Cn1cc(-c2csc(NC(=O)[C@H]3CCc4c[nH]nc4C3)n2)cn1 ZINC000080473726 463322067 /nfs/dbraw/zinc/32/20/67/463322067.db2.gz HLHLOHQNGKJFEQ-VIFPVBQESA-N 0 0 328.401 2.010 40 0 EEABRN Cc1csc([C@@H]2COCCN2C(=O)NCCCc2c[nH]nc2C)n1 ZINC000097102780 463323510 /nfs/dbraw/zinc/32/35/10/463323510.db2.gz MDAZUQNYNCOJGA-AWEZNQCLSA-N 0 0 349.460 2.199 40 0 EEABRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000055546813 463330589 /nfs/dbraw/zinc/33/05/89/463330589.db2.gz QCQFWVMBXBOPKJ-UHFFFAOYSA-N 0 0 335.381 2.348 40 0 EEABRN CC[C@@H](c1nnc(NC(=O)CN2CCOCC2)s1)c1ccccc1 ZINC000097234839 463352338 /nfs/dbraw/zinc/35/23/38/463352338.db2.gz NXRXDAPNZYOMBB-CQSZACIVSA-N 0 0 346.456 2.351 40 0 EEABRN Cc1cc(-n2c(C)cc(C(=O)OC3CCN(C=O)CC3)c2C)no1 ZINC000097234670 463352531 /nfs/dbraw/zinc/35/25/31/463352531.db2.gz KZIURUKOXIWAEL-UHFFFAOYSA-N 0 0 331.372 2.168 40 0 EEABRN COc1c(CNC(=O)Nc2nc3c(s2)CCCC3)c(C)nn1C ZINC000097378073 463356174 /nfs/dbraw/zinc/35/61/74/463356174.db2.gz CHQAJFUJBYZWBD-UHFFFAOYSA-N 0 0 335.433 2.394 40 0 EEABRN CCC[C@@H](F)Cn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21 ZINC000097758828 463362022 /nfs/dbraw/zinc/36/20/22/463362022.db2.gz VKIBZLGSWZHFJD-DOMZBBRYSA-N 0 0 348.422 2.414 40 0 in-vitro EEABRN CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1ccc(C)cc1 ZINC000097998042 463367638 /nfs/dbraw/zinc/36/76/38/463367638.db2.gz HMSVNCXLUBTAAR-XNTDXEJSSA-N 0 0 349.408 2.132 40 0 EEABRN O=C(NCC1CCN(c2cnccn2)CC1)c1c(F)cccc1F ZINC000070930327 463394556 /nfs/dbraw/zinc/39/45/56/463394556.db2.gz MSMWDINTUDKZJT-UHFFFAOYSA-N 0 0 332.354 2.401 40 0 EEABRN Cc1ccn(CC(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)n1 ZINC000071195802 463411152 /nfs/dbraw/zinc/41/11/52/463411152.db2.gz LGQYKXVIFRLYAA-INIZCTEOSA-N 0 0 348.410 2.237 40 0 EEABRN Cn1cc(C(=O)N[C@H]2CCCc3nc(-c4ccccn4)ncc32)cn1 ZINC000071195918 463411668 /nfs/dbraw/zinc/41/16/68/463411668.db2.gz HAQDUNFYAJMSSC-HNNXBMFYSA-N 0 0 334.383 2.080 40 0 EEABRN C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)N1CCCCC1 ZINC000057223464 463468198 /nfs/dbraw/zinc/46/81/98/463468198.db2.gz FTNXAEFYNVZYFZ-HNNXBMFYSA-N 0 0 340.427 2.062 40 0 EEABRN CC(=O)N1CCN(c2ccc([C@H](O)c3ccccc3)c(C)n2)CC1 ZINC000072224780 463484641 /nfs/dbraw/zinc/48/46/41/463484641.db2.gz WARDRMCCDJHKBF-LJQANCHMSA-N 0 0 325.412 2.140 40 0 EEABRN CC[C@@H](C(=O)Nc1ncccc1Br)N1CCCC1=O ZINC000081764247 463489385 /nfs/dbraw/zinc/48/93/85/463489385.db2.gz OBPNYHCOMKWOBT-JTQLQIEISA-N 0 0 326.194 2.184 40 0 EEABRN CCCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000057475707 463494723 /nfs/dbraw/zinc/49/47/23/463494723.db2.gz DQENVXOTARPBML-AWEZNQCLSA-N 0 0 329.849 2.308 40 0 EEABRN Oc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)c(O)c1 ZINC000072341903 463509532 /nfs/dbraw/zinc/50/95/32/463509532.db2.gz IFSHFTOGIPDXIP-GFCCVEGCSA-N 0 0 326.356 2.398 40 0 EEABRN CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000058313360 463576240 /nfs/dbraw/zinc/57/62/40/463576240.db2.gz POTNXAKHMLHEMA-UHFFFAOYSA-N 0 0 336.457 2.406 40 0 EEABRN O=C(c1ccco1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108536307 463612179 /nfs/dbraw/zinc/61/21/79/463612179.db2.gz MQOZPXCSNVWEGS-AWEZNQCLSA-N 0 0 342.399 2.336 40 0 EEABRN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(-c3ccccc3)n1)CS2 ZINC000043054640 463614858 /nfs/dbraw/zinc/61/48/58/463614858.db2.gz WEWSXGPOEDFRLO-SUMWQHHRSA-N 0 0 342.424 2.265 40 0 EEABRN COc1cccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000043275545 463631527 /nfs/dbraw/zinc/63/15/27/463631527.db2.gz SOTJKOQOCYNHME-HNNXBMFYSA-N 0 0 329.352 2.030 40 0 EEABRN CCc1cc(CNC(=O)CN2CCOc3ccc(Cl)cc32)on1 ZINC000073935605 463672338 /nfs/dbraw/zinc/67/23/38/463672338.db2.gz ZJYRZSLJDQHJJM-UHFFFAOYSA-N 0 0 335.791 2.406 40 0 EEABRN CN(CC(=O)NC1CC1)c1nc(-c2ccncc2)nc2ccccc21 ZINC000044895982 463699518 /nfs/dbraw/zinc/69/95/18/463699518.db2.gz OPALWYJQAHFTEP-UHFFFAOYSA-N 0 0 333.395 2.407 40 0 EEABRN CC[C@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)c1ccncc1 ZINC000185010758 463736205 /nfs/dbraw/zinc/73/62/05/463736205.db2.gz KUWILBPFGSATIB-INIZCTEOSA-N 0 0 340.431 2.163 40 0 EEABRN Cc1nccc(N2CC[C@H](Cc3cnc(-c4cncn4C)cn3)C2)n1 ZINC000257278552 463758190 /nfs/dbraw/zinc/75/81/90/463758190.db2.gz OCRLJDQQJVWTTQ-CQSZACIVSA-N 0 0 335.415 2.045 40 0 EEABRN Cc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)n1 ZINC000257281441 463759967 /nfs/dbraw/zinc/75/99/67/463759967.db2.gz OPEPFLCGQVAXRC-CQSZACIVSA-N 0 0 334.445 2.244 40 0 EEABRN O=C(c1cccnc1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279750 463760314 /nfs/dbraw/zinc/76/03/14/463760314.db2.gz OIAJEORIQRUZSM-GOSISDBHSA-N 0 0 347.378 2.147 40 0 EEABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257283641 463761360 /nfs/dbraw/zinc/76/13/60/463761360.db2.gz OZENSBTWTHURNI-CYBMUJFWSA-N 0 0 327.384 2.276 40 0 EEABRN COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC000257293398 463766456 /nfs/dbraw/zinc/76/64/56/463766456.db2.gz QPIAGZRNHVAHIT-ZWKOTPCHSA-N 0 0 344.455 2.485 40 0 EEABRN COc1ccc(CC(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)cc1 ZINC000257296147 463767740 /nfs/dbraw/zinc/76/77/40/463767740.db2.gz RBLLDHWKLJOXHO-AWEZNQCLSA-N 0 0 327.384 2.140 40 0 EEABRN COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257299566 463769261 /nfs/dbraw/zinc/76/92/61/463769261.db2.gz RQOPIFYGYMHPBY-GOSISDBHSA-N 0 0 341.411 2.245 40 0 EEABRN Cc1cnc(-c2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1 ZINC000257309476 463771877 /nfs/dbraw/zinc/77/18/77/463771877.db2.gz UBBPYPIWZBXPNY-CYBMUJFWSA-N 0 0 338.458 2.313 40 0 EEABRN Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 ZINC000257314390 463773791 /nfs/dbraw/zinc/77/37/91/463773791.db2.gz UWTBYNLAMJYLMC-CYBMUJFWSA-N 0 0 331.420 2.184 40 0 EEABRN Cc1cc(Nc2ccnc(C[C@H]3CCCN(C(=O)C4CC4)C3)n2)n[nH]1 ZINC000257327865 463779287 /nfs/dbraw/zinc/77/92/87/463779287.db2.gz XDBYLPVSNLZYJB-CYBMUJFWSA-N 0 0 340.431 2.443 40 0 EEABRN CC(=O)NCc1cncc([C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000257333526 463783140 /nfs/dbraw/zinc/78/31/40/463783140.db2.gz YBXODAIHCFQTSZ-MRXNPFEDSA-N 0 0 344.440 2.080 40 0 EEABRN O=C(CCc1cccs1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257338507 463784259 /nfs/dbraw/zinc/78/42/59/463784259.db2.gz YXTFPMXKEGGXHV-CQSZACIVSA-N 0 0 331.441 2.188 40 0 EEABRN CC(=O)N1CCC(C(=O)N2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257337458 463784926 /nfs/dbraw/zinc/78/49/26/463784926.db2.gz YSVGVEOWOPWECU-SFHVURJKSA-N 0 0 329.444 2.264 40 0 EEABRN COc1cc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341208 463785767 /nfs/dbraw/zinc/78/57/67/463785767.db2.gz ZJIIEJMOVLCIHY-HNNXBMFYSA-N 0 0 347.390 2.164 40 0 EEABRN O=C(c1ccc2ncccc2c1)N1CCOC[C@H]1CCc1cnccn1 ZINC000257341185 463786347 /nfs/dbraw/zinc/78/63/47/463786347.db2.gz ZJEUFSTVNBARMV-GOSISDBHSA-N 0 0 348.406 2.499 40 0 EEABRN CN(C(=O)c1cccnn1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257344551 463787273 /nfs/dbraw/zinc/78/72/73/463787273.db2.gz ZXTKUHJNCLOBNZ-KZNAEPCWSA-N 0 0 341.411 2.300 40 0 EEABRN CC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260746324 463791566 /nfs/dbraw/zinc/79/15/66/463791566.db2.gz VVIIALPMIRLERS-WFASDCNBSA-N 0 0 342.461 2.155 40 0 EEABRN COCC1=CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000185893396 463900784 /nfs/dbraw/zinc/90/07/84/463900784.db2.gz BPCKSRXZVXOQKR-GOSISDBHSA-N 0 0 348.418 2.004 40 0 EEABRN CN(c1nncs1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000194708459 463912671 /nfs/dbraw/zinc/91/26/71/463912671.db2.gz BMZXBYOHVOLKHC-UHFFFAOYSA-N 0 0 348.247 2.267 40 0 EEABRN O=C(NCCCCn1ccccc1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000195554991 464075687 /nfs/dbraw/zinc/07/56/87/464075687.db2.gz VBYBRAYGFXFVRK-INIZCTEOSA-N 0 0 343.431 2.288 40 0 EEABRN C[C@@]1(C(=O)NCC2(CO)CCCC2)CC(c2cccc(F)c2)=NO1 ZINC000223266387 464138814 /nfs/dbraw/zinc/13/88/14/464138814.db2.gz SCRFULQBPJRDFN-KRWDZBQOSA-N 0 0 334.391 2.378 40 0 EEABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000223585155 464144076 /nfs/dbraw/zinc/14/40/76/464144076.db2.gz POUAUQXDTDGNSR-HOTGVXAUSA-N 0 0 330.457 2.429 40 0 EEABRN CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223634335 464145309 /nfs/dbraw/zinc/14/53/09/464145309.db2.gz HEIINJDIWPEEGW-HZPDHXFCSA-N 0 0 330.457 2.258 40 0 EEABRN Cc1cc(CNC(=O)c2ccc(Cl)cc2)nc(N2CCOCC2)n1 ZINC000224225491 464149571 /nfs/dbraw/zinc/14/95/71/464149571.db2.gz UIILLWDXIMKNHK-UHFFFAOYSA-N 0 0 346.818 2.205 40 0 EEABRN CC(C)[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225191656 464154833 /nfs/dbraw/zinc/15/48/33/464154833.db2.gz PQCXJCFQBFOIBJ-NSHDSACASA-N 0 0 332.853 2.267 40 0 EEABRN Cc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)c1 ZINC000225444869 464160530 /nfs/dbraw/zinc/16/05/30/464160530.db2.gz CMPJINDSYRKODG-MRXNPFEDSA-N 0 0 340.427 2.073 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](Oc2cccnn2)C1 ZINC000225452121 464161248 /nfs/dbraw/zinc/16/12/48/464161248.db2.gz FTMCXKHAUXIYFE-AWEZNQCLSA-N 0 0 330.388 2.084 40 0 EEABRN O=C(C1CCOCC1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484231 464165198 /nfs/dbraw/zinc/16/51/98/464165198.db2.gz JXTZNUHIPQKDEV-HNNXBMFYSA-N 0 0 348.374 2.310 40 0 biogenic,in-vitro EEABRN COc1cncc(O[C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 ZINC000225499914 464166865 /nfs/dbraw/zinc/16/68/65/464166865.db2.gz UPVWQAKDCXGCRG-ZDUSSCGKSA-N 0 0 333.413 2.159 40 0 EEABRN CC(C)(C)CNC(=O)CC1(C(=O)NCC(C)(C)C)CCOCC1 ZINC000225623421 464176689 /nfs/dbraw/zinc/17/66/89/464176689.db2.gz JXBZOHWWLWJCEO-UHFFFAOYSA-N 0 0 326.481 2.498 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](c3noc(C(F)(F)F)n3)C2)cs1 ZINC000238818418 464438037 /nfs/dbraw/zinc/43/80/37/464438037.db2.gz CALABLSDWGIKNS-ZETCQYMHSA-N 0 0 332.307 2.483 40 0 EEABRN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C[C@@H](C)O)[nH]n2)cc1C ZINC000189148560 464444366 /nfs/dbraw/zinc/44/43/66/464444366.db2.gz LTPDAMNSOCOODC-ZBFHGGJFSA-N 0 0 343.427 2.305 40 0 EEABRN CC1(C)CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCS1 ZINC000240894832 464449447 /nfs/dbraw/zinc/44/94/47/464449447.db2.gz IQGDJOFJRSTEQZ-AWEZNQCLSA-N 0 0 349.504 2.373 40 0 EEABRN CC(C)(C)c1cnc(CNC(=O)NCc2ncnn2C(C)(C)C)o1 ZINC000281759663 464575099 /nfs/dbraw/zinc/57/50/99/464575099.db2.gz CLXDNQQGYSYQQP-UHFFFAOYSA-N 0 0 334.424 2.318 40 0 EEABRN CNC(=O)C[C@H]1CN(CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940116 464715199 /nfs/dbraw/zinc/71/51/99/464715199.db2.gz IAXNMGVEAZISFF-HNNXBMFYSA-N 0 0 348.834 2.108 40 0 EEABRN Cc1nc(CN2Cc3cncn3[C@H](C(=O)NC3CCCC3)C2)cs1 ZINC000247963445 464717595 /nfs/dbraw/zinc/71/75/95/464717595.db2.gz PNSKDSHTMSTJMG-INIZCTEOSA-N 0 0 345.472 2.264 40 0 EEABRN Cc1nc(CN2CCO[C@@H]3[C@H](CNc4ncccn4)CC[C@@H]32)cs1 ZINC000248009067 464722276 /nfs/dbraw/zinc/72/22/76/464722276.db2.gz FRNRYICBDIWWME-CWRNSKLLSA-N 0 0 345.472 2.333 40 0 EEABRN Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOCC2CC2)n1 ZINC000248122210 464732059 /nfs/dbraw/zinc/73/20/59/464732059.db2.gz VPSNVQJUXBKDOU-INIZCTEOSA-N 0 0 330.428 2.438 40 0 EEABRN COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000248657375 464780600 /nfs/dbraw/zinc/78/06/00/464780600.db2.gz SJGJPFZQXLEOOT-IHWGESPNSA-N 0 0 328.412 2.213 40 0 EEABRN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000249260720 464855699 /nfs/dbraw/zinc/85/56/99/464855699.db2.gz IUBCBYNDZNMXRI-ILXRZTDVSA-N 0 0 338.473 2.255 40 0 EEABRN CCS(=O)(=O)C1CCN(C(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000192461824 464929481 /nfs/dbraw/zinc/92/94/81/464929481.db2.gz NJYOUDYQEQWXPW-UHFFFAOYSA-N 0 0 346.399 2.074 40 0 EEABRN C[C@@H]1COCCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000252484832 464962536 /nfs/dbraw/zinc/96/25/36/464962536.db2.gz GJEGXYIHGJVOLA-OAHLLOKOSA-N 0 0 347.459 2.090 40 0 EEABRN Cc1cc(C)cc([C@H](O)CNC(=O)NC[C@@H](C)Cn2cccn2)c1 ZINC000252497243 464969576 /nfs/dbraw/zinc/96/95/76/464969576.db2.gz QCDZLWMZDKKIDQ-NVXWUHKLSA-N 0 0 330.432 2.169 40 0 EEABRN CCSCCCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000253394474 464998694 /nfs/dbraw/zinc/99/86/94/464998694.db2.gz FSBPGAOJXNHWFC-GFCCVEGCSA-N 0 0 325.482 2.159 40 0 EEABRN C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N(C)Cc1cccnc1 ZINC000253407391 465003594 /nfs/dbraw/zinc/00/35/94/465003594.db2.gz WHZFKIFAQKVZLA-LBPRGKRZSA-N 0 0 338.367 2.457 40 0 biogenic,in-vitro EEABRN Cn1ccnc1C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000253430931 465013724 /nfs/dbraw/zinc/01/37/24/465013724.db2.gz OUVDPXSKLJTTDU-LBPRGKRZSA-N 0 0 325.459 2.125 40 0 EEABRN Cc1cnc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cn1 ZINC000253432604 465015298 /nfs/dbraw/zinc/01/52/98/465015298.db2.gz LOPSCEVKUFSUIA-PKOBYXMFSA-N 0 0 343.402 2.428 40 0 EEABRN Cc1noc(C)c1CCC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000253472021 465015382 /nfs/dbraw/zinc/01/53/82/465015382.db2.gz HWMHIRUIFMPTHP-CQSZACIVSA-N 0 0 329.404 2.167 40 0 EEABRN Cc1nc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c[nH]1 ZINC000331415095 466073541 /nfs/dbraw/zinc/07/35/41/466073541.db2.gz VYPZGGVOPGWKEP-NSHDSACASA-N 0 0 340.305 2.425 40 0 EEABRN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@@H]21)c1ccco1 ZINC000306128703 466490097 /nfs/dbraw/zinc/49/00/97/466490097.db2.gz HIRFAANDXLPUQE-KCQAQPDRSA-N 0 0 347.440 2.003 40 0 EEABRN Cc1cnc(C(=O)N2CC[C@H]3CCN(c4ccccn4)[C@@H]3CC2)cn1 ZINC000306139128 466494055 /nfs/dbraw/zinc/49/40/55/466494055.db2.gz SQASBJKEUVVWQH-DOTOQJQBSA-N 0 0 337.427 2.311 40 0 EEABRN O=C(NCCN1CCOCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000408564683 466681290 /nfs/dbraw/zinc/68/12/90/466681290.db2.gz DOMJBRFWOFHBOA-OBGWFSINSA-N 0 0 326.396 2.269 40 0 EEABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000408548843 466681437 /nfs/dbraw/zinc/68/14/37/466681437.db2.gz LZQWWIULHBUWDM-MDWZMJQESA-N 0 0 344.298 2.151 40 0 EEABRN Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Cl)c1 ZINC000408550795 466681531 /nfs/dbraw/zinc/68/15/31/466681531.db2.gz FAYQQGPWJDKHLG-UHFFFAOYSA-N 0 0 345.786 2.342 40 0 EEABRN C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000408733221 466682923 /nfs/dbraw/zinc/68/29/23/466682923.db2.gz GKEQSTZZVHEXKT-YKCBXCCJSA-N 0 0 335.359 2.035 40 0 EEABRN CCCCCNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000409410730 466687642 /nfs/dbraw/zinc/68/76/42/466687642.db2.gz OZZDMCTUEUEZKC-AWEZNQCLSA-N 0 0 326.462 2.456 40 0 EEABRN CC(C)Oc1ccc(NC(=O)c2cnccc2N(C)C)cc1C(N)=O ZINC000390833937 467414034 /nfs/dbraw/zinc/41/40/34/467414034.db2.gz PDYRZDSULJQTSZ-UHFFFAOYSA-N 0 0 342.399 2.286 40 0 EEABRN CSCc1cc(F)ccc1CNC(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000390835572 467414949 /nfs/dbraw/zinc/41/49/49/467414949.db2.gz QZFFUJXAYJREMI-IINYFYTJSA-N 0 0 339.436 2.013 40 0 EEABRN O=C(NCCN1C(=O)CCCC1=O)c1cccc(C(F)F)c1F ZINC000528678091 467726774 /nfs/dbraw/zinc/72/67/74/467726774.db2.gz DHMNXWAWJTYIMJ-UHFFFAOYSA-N 0 0 328.290 2.032 40 0 EEABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)c1 ZINC000575406051 468142400 /nfs/dbraw/zinc/14/24/00/468142400.db2.gz WZBXXCQLIFPVEO-QGZVFWFLSA-N 0 0 330.428 2.467 40 0 EEABRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000575406210 468142802 /nfs/dbraw/zinc/14/28/02/468142802.db2.gz VZIBIKGPFZPFEU-JLSDUUJJSA-N 0 0 325.412 2.467 40 0 EEABRN COC(=O)[C@@H]1CCc2nnc(-c3ccccc3Br)n2C1 ZINC000601044829 468729610 /nfs/dbraw/zinc/72/96/10/468729610.db2.gz RPSGPBFFPUYSBN-SECBINFHSA-N 0 0 336.189 2.443 40 0 EEABRN CCn1ncc2c1ncn(Cc1cc(F)ccc1OC(F)F)c2=O ZINC000585093549 468963337 /nfs/dbraw/zinc/96/33/37/468963337.db2.gz VBAMBNCDJFHVOY-UHFFFAOYSA-N 0 0 338.289 2.402 40 0 EEABRN CCCS(=O)(=O)N1CC2(C1)C[C@@H](OCC1CCCC1)CS2 ZINC000585093559 468963520 /nfs/dbraw/zinc/96/35/20/468963520.db2.gz NEXYMGDGLZQBJW-CQSZACIVSA-N 0 0 333.519 2.493 40 0 EEABRN CCOCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@H]2C ZINC000585096687 468964781 /nfs/dbraw/zinc/96/47/81/468964781.db2.gz AGMRORQLHQVTNF-LBPRGKRZSA-N 0 0 332.379 2.100 40 0 EEABRN Cc1ccc(CN2Cc3ccnn3[C@H](CCNC(=O)N(C)C)C2)o1 ZINC000585112563 468975076 /nfs/dbraw/zinc/97/50/76/468975076.db2.gz SRHSJWWSBJXCPR-CQSZACIVSA-N 0 0 331.420 2.003 40 0 EEABRN C[C@@H]1C[C@H]1C(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 ZINC000585111259 468975447 /nfs/dbraw/zinc/97/54/47/468975447.db2.gz LSLBFNKMAORYGW-CZUORRHYSA-N 0 0 339.443 2.197 40 0 EEABRN COc1cc(NC(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)ncn1 ZINC000585140622 468988444 /nfs/dbraw/zinc/98/84/44/468988444.db2.gz HXWHWJNOIBZGIN-JOCQHMNTSA-N 0 0 342.403 2.425 40 0 EEABRN Cc1nc(-c2ccc(C(=O)N[C@@H]3C(=O)NCC3(C)C)cc2)cs1 ZINC000585141059 468989861 /nfs/dbraw/zinc/98/98/61/468989861.db2.gz OZJTXYOASVOWCO-CQSZACIVSA-N 0 0 329.425 2.373 40 0 EEABRN COc1ccc(C[C@H]2CCCCN2c2ncnc3c2nnn3C)cc1 ZINC000585142455 468991810 /nfs/dbraw/zinc/99/18/10/468991810.db2.gz WWTUPKBWFSRQQF-CQSZACIVSA-N 0 0 338.415 2.369 40 0 EEABRN Cc1cnccc1CN1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585276518 469000456 /nfs/dbraw/zinc/00/04/56/469000456.db2.gz PKORZAMBMASAHG-LJQANCHMSA-N 0 0 330.403 2.335 40 0 EEABRN COc1ncc(CN2CC[C@](COc3ccc(F)cc3)(OC)C2)cn1 ZINC000585275943 469001007 /nfs/dbraw/zinc/00/10/07/469001007.db2.gz GWAQVKGRYLSVFF-SFHVURJKSA-N 0 0 347.390 2.294 40 0 EEABRN Cc1ccc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275758 469001102 /nfs/dbraw/zinc/00/11/02/469001102.db2.gz JEAJUFIKLQRONG-IBGZPJMESA-N 0 0 330.403 2.335 40 0 EEABRN CCc1[nH]nc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)c1C ZINC000585275861 469001192 /nfs/dbraw/zinc/00/11/92/469001192.db2.gz HSUHEUQJUJFIHV-LJQANCHMSA-N 0 0 343.427 2.245 40 0 EEABRN O=C(Cn1ccc(C2CC2)n1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585276072 469001271 /nfs/dbraw/zinc/00/12/71/469001271.db2.gz LSFIYQXPEUEGOB-MJGOQNOKSA-N 0 0 339.439 2.213 40 0 EEABRN COC[C@]1(CC(=O)N(C)C)CN(Cc2ccccc2Cl)CCO1 ZINC000585277999 469003570 /nfs/dbraw/zinc/00/35/70/469003570.db2.gz ONVSCEHSMHQHKV-KRWDZBQOSA-N 0 0 340.851 2.036 40 0 EEABRN Cc1cc(C)n(CC(=O)N2CC[C@H](Cc3cccc(C)c3)[C@@H](O)C2)n1 ZINC000585279772 469006357 /nfs/dbraw/zinc/00/63/57/469006357.db2.gz ORCRVYGDZSOAAF-MOPGFXCFSA-N 0 0 341.455 2.260 40 0 EEABRN Cc1ccc(O[C@@H]2CCC[C@H](CNC(=O)c3ccncn3)[C@H]2O)cc1 ZINC000585286513 469009252 /nfs/dbraw/zinc/00/92/52/469009252.db2.gz ZFBGYWHYLCYKOT-ZTFGCOKTSA-N 0 0 341.411 2.123 40 0 EEABRN Cc1cccc(C[C@H]2CCN(C(=O)/C=C/c3ccnn3C)C[C@@H]2O)c1 ZINC000585290509 469010835 /nfs/dbraw/zinc/01/08/35/469010835.db2.gz XMIHNXNKOXPTAG-JISXSJDESA-N 0 0 339.439 2.194 40 0 EEABRN Cc1noc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n1 ZINC000601971577 469119284 /nfs/dbraw/zinc/11/92/84/469119284.db2.gz LECWGMBOQNWBPF-SGIREYDYSA-N 0 0 342.399 2.165 40 0 EEABRN COc1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000242964068 485536305 /nfs/dbraw/zinc/53/63/05/485536305.db2.gz HKOMBIZFOZVMTA-UHFFFAOYSA-N 0 0 348.424 2.408 40 0 EEABRN Cc1cc(F)c(Br)cc1NC(=O)NCC(=O)NC1CC1 ZINC000190916363 533806603 /nfs/dbraw/zinc/80/66/03/533806603.db2.gz PAPOGGGNJRTDLJ-UHFFFAOYSA-N 0 0 344.184 2.297 40 0 EEABRN CC(=O)NC[C@@H]1CN(CCc2cc(Cl)cc(Cl)c2)CCO1 ZINC000194525418 534474303 /nfs/dbraw/zinc/47/43/03/534474303.db2.gz BHYAIKMJJXCVAE-OAHLLOKOSA-N 0 0 331.243 2.373 40 0 EEABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C ZINC000245358608 524147810 /nfs/dbraw/zinc/14/78/10/524147810.db2.gz ZSZZLKGGTYAELQ-XRDYCDLDSA-N 0 0 330.494 2.133 40 0 EEABRN CC(C)NC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000408708545 527726786 /nfs/dbraw/zinc/72/67/86/527726786.db2.gz JVABZJPVBIXNFJ-HIFRSBDPSA-N 0 0 345.443 2.458 40 0 EEABRN CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1nccn1C(F)F ZINC000190472604 528433176 /nfs/dbraw/zinc/43/31/76/528433176.db2.gz KYFORVXYSORKBW-OAHLLOKOSA-N 0 0 330.379 2.361 40 0 EEABRN CC(C)Cn1ncnc1CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182881002 528762411 /nfs/dbraw/zinc/76/24/11/528762411.db2.gz QICJIKDPYVJMTQ-CQSZACIVSA-N 0 0 337.468 2.375 40 0 EEABRN CC(C)(C)c1nnc2ccc(N3CCO[C@@H](c4nccs4)C3)nn21 ZINC000253417780 534932813 /nfs/dbraw/zinc/93/28/13/534932813.db2.gz HKGURASOUXVYJH-LLVKDONJSA-N 0 0 344.444 2.456 40 0 EEABRN CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260903560 535163996 /nfs/dbraw/zinc/16/39/96/535163996.db2.gz PMBUAVQXCAPMPU-CABCVRRESA-N 0 0 338.473 2.248 40 0 EEABRN CCOC(=O)[C@@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000193867854 535478171 /nfs/dbraw/zinc/47/81/71/535478171.db2.gz ADTKQSYURPJZAX-HNNXBMFYSA-N 0 0 335.791 2.037 40 0 EEABRN CCc1ccccc1NC(=O)CN1CC[C@]2(CCCO2)[C@@H](OC)C1 ZINC000257236474 535950420 /nfs/dbraw/zinc/95/04/20/535950420.db2.gz HCJCUZUPFRCYAF-PKOBYXMFSA-N 0 0 332.444 2.457 40 0 EEABRN COCCN(C)C(=O)c1ncccc1-c1cccc(CNC(C)=O)c1 ZINC000257312892 536773283 /nfs/dbraw/zinc/77/32/83/536773283.db2.gz UQCAMTVOQZSPDJ-UHFFFAOYSA-N 0 0 341.411 2.103 40 0 EEABRN c1nc2ncnc(N3Cc4ccccc4OC4(CCOCC4)C3)c2[nH]1 ZINC000895576483 684647103 /nfs/dbraw/zinc/64/71/03/684647103.db2.gz XPXWOYDQHKVHPP-UHFFFAOYSA-N 0 0 337.383 2.301 40 0 EEABRN NC(=O)c1cc(N2CC(Cc3ccc(Br)cc3)C2)ncn1 ZINC000896448117 684988458 /nfs/dbraw/zinc/98/84/58/684988458.db2.gz CFKFIYOZBUCKGU-UHFFFAOYSA-N 0 0 347.216 2.017 40 0 EEABRN CCn1nccc1CNC(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000028235036 1352373995 /nfs/dbraw/zinc/37/39/95/1352373995.db2.gz OUWQTQDGGKCSMV-SNVBAGLBSA-N 0 0 329.326 2.304 40 0 EEABRN O=S(=O)(c1ccccc1)n1cc(Br)c2nccnc21 ZINC000114916989 1358868901 /nfs/dbraw/zinc/86/89/01/1358868901.db2.gz DELMULJQKYZFSP-UHFFFAOYSA-N 0 0 338.186 2.431 40 0 EEABRN CCOc1ncnc2c1CN(C(=O)COc1ccc(F)c(F)c1)CC2 ZINC000934362841 1367401512 /nfs/dbraw/zinc/40/15/12/1367401512.db2.gz WREJPWPXKNJMDX-UHFFFAOYSA-N 0 0 349.337 2.117 40 0 EEABRN COC(=O)c1ncc2c(I)cccc2c1O ZINC000116784533 1367693332 /nfs/dbraw/zinc/69/33/32/1367693332.db2.gz XOHWAYZKTGAGFI-UHFFFAOYSA-N 0 0 329.093 2.332 40 0 EEABRN CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3COCCC3=O)c3cccc1c32 ZINC001740816828 1406108954 /nfs/dbraw/zinc/10/89/54/1406108954.db2.gz XFLCHAVZLHWJKQ-AUUYWEPGSA-N 0 0 327.380 2.022 40 0 EEABRN O=C(Nc1cc(F)ccc1F)N1CC2(C1)CC(=O)N(CC1CC1)O2 ZINC001549162085 1121134508 /nfs/dbraw/zinc/13/45/08/1121134508.db2.gz NKTLWEWBJBGOHB-UHFFFAOYSA-N 0 0 337.326 2.125 40 0 EEABRN Clc1cccnc1N1CCN(Cc2noc3c2COCC3)CC1 ZINC001548452865 1124294623 /nfs/dbraw/zinc/29/46/23/1124294623.db2.gz IELZDIIQRMVFLV-UHFFFAOYSA-N 0 0 334.807 2.118 40 0 EEABRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCCC3)n(C)c1 ZINC000053458439 214183754 /nfs/dbraw/zinc/18/37/54/214183754.db2.gz KQGPASFEDKGUEJ-UHFFFAOYSA-N 0 0 347.440 2.064 40 0 EEABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000055548872 214329766 /nfs/dbraw/zinc/32/97/66/214329766.db2.gz KESRIYAUILFTDD-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN CCc1ccc(CNC(=O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000408708261 529646274 /nfs/dbraw/zinc/64/62/74/529646274.db2.gz WQDUTWQXWMNWMH-UHFFFAOYSA-N 0 0 326.396 2.190 40 0 EEABRN CN(Cc1cc(Br)cn1C)C(=O)NO[C@@H]1CCCCO1 ZINC000166943358 529975986 /nfs/dbraw/zinc/97/59/86/529975986.db2.gz KHGXFZUPVCLDCR-GFCCVEGCSA-N 0 0 346.225 2.387 40 0 EEABRN CC(C)C[C@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)(F)F ZINC000044891578 213660126 /nfs/dbraw/zinc/66/01/26/213660126.db2.gz GTDZDVNXSPPRNU-NSHDSACASA-N 0 0 347.337 2.284 40 0 EEABRN Brc1cnc(NCCOc2ccc3c(c2)OCO3)nc1 ZINC000067368210 215138143 /nfs/dbraw/zinc/13/81/43/215138143.db2.gz ROXXOJIEBYQQLQ-UHFFFAOYSA-N 0 0 338.161 2.459 40 0 EEABRN CCn1ncc(NC(=O)Cn2ncc(Br)c2C)c1C ZINC000002781543 209910856 /nfs/dbraw/zinc/91/08/56/209910856.db2.gz FMSXLSFUECTJNG-UHFFFAOYSA-N 0 0 326.198 2.118 40 0 EEABRN CCCNC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 ZINC000225886913 535157698 /nfs/dbraw/zinc/15/76/98/535157698.db2.gz KMOSFUHHKJINLM-UHFFFAOYSA-N 0 0 349.382 2.028 40 0 EEABRN Cc1noc2nc(C)cc(C(=O)NCc3nnc4n3CCCCC4)c12 ZINC000040489066 213318231 /nfs/dbraw/zinc/31/82/31/213318231.db2.gz JJCFQUOKEWVAEL-UHFFFAOYSA-N 0 0 340.387 2.088 40 0 EEABRN O=S(=O)([C@@H](c1ccccc1)[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000001717706 209786674 /nfs/dbraw/zinc/78/66/74/209786674.db2.gz UTWSDDSHGPSCFW-ROUUACIJSA-N 0 0 347.436 2.123 40 0 EEABRN Cn1cc(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)nn1 ZINC000038671582 213220678 /nfs/dbraw/zinc/22/06/78/213220678.db2.gz WUTPVTFMQDWFFA-UHFFFAOYSA-N 0 0 338.415 2.395 40 0 EEABRN Cn1cccc1[C@H](CNC(=O)NC1CCCCC1)N1CCOCC1 ZINC000038676009 213220116 /nfs/dbraw/zinc/22/01/16/213220116.db2.gz CQQYKJNLWIVIBT-KRWDZBQOSA-N 0 0 334.464 2.030 40 0 EEABRN COC(=O)[C@H](C)Sc1nc(NCc2ccccc2)nc(N(C)C)n1 ZINC000000804837 209688262 /nfs/dbraw/zinc/68/82/62/209688262.db2.gz IPQFHZRESZWCSB-NSHDSACASA-N 0 0 347.444 2.203 40 0 EEABRN CN(Cc1cnn(C2CCCCC2)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000036740646 213116210 /nfs/dbraw/zinc/11/62/10/213116210.db2.gz COWCAFULVFGOHN-INIZCTEOSA-N 0 0 325.478 2.397 40 0 EEABRN CCc1c(C)scc1C(=O)NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000035828047 213050570 /nfs/dbraw/zinc/05/05/70/213050570.db2.gz XAZJCNCNXKPLES-IOQCUFBNSA-N 0 0 330.409 2.071 40 0 EEABRN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]1CC(=O)N(N)C2=O ZINC000033919777 212970611 /nfs/dbraw/zinc/97/06/11/212970611.db2.gz HDOMUOSSPZHKBI-NGHXJWJKSA-N 0 0 332.444 2.149 40 0 EEABRN CCn1nnnc1NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007602256 236895660 /nfs/dbraw/zinc/89/56/60/236895660.db2.gz WHXNUXUUWRUJOM-UHFFFAOYSA-N 0 0 327.344 2.352 40 0 EEABRN O=C(NCCOC(=O)C1=CCCC1)c1cncc(Br)c1 ZINC000096473967 237060198 /nfs/dbraw/zinc/06/01/98/237060198.db2.gz OTUJHOJXDOBOTP-UHFFFAOYSA-N 0 0 339.189 2.227 40 0 EEABRN Cc1cc(F)ccc1CCNC(=O)NCc1nnc2ccccn21 ZINC000096461506 237061556 /nfs/dbraw/zinc/06/15/56/237061556.db2.gz RSICIMXJTDKIIP-UHFFFAOYSA-N 0 0 327.363 2.219 40 0 EEABRN CSCc1cccc(S(=O)(=O)NCc2cnn(C)c2C)c1 ZINC000072240328 216079918 /nfs/dbraw/zinc/07/99/18/216079918.db2.gz HBGIWGYUHNAYIZ-UHFFFAOYSA-N 0 0 325.459 2.070 40 0 EEABRN CN1C(=O)CO[C@@H](C(=O)Nc2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000072241685 216080617 /nfs/dbraw/zinc/08/06/17/216080617.db2.gz BLQNTSZMEKEBQX-DLBZAZTESA-N 0 0 328.343 2.363 40 0 EEABRN Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)n1 ZINC000072241607 216080828 /nfs/dbraw/zinc/08/08/28/216080828.db2.gz HPKNTKRNRKRINP-SJORKVTESA-N 0 0 343.358 2.066 40 0 EEABRN CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 ZINC000072238153 216077622 /nfs/dbraw/zinc/07/76/22/216077622.db2.gz SRYIQBVWJXKRFK-CJNGLKHVSA-N 0 0 329.425 2.369 40 0 EEABRN COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(C)cc1 ZINC000072265503 216087092 /nfs/dbraw/zinc/08/70/92/216087092.db2.gz QFQWCMURHZIULN-UHFFFAOYSA-N 0 0 342.399 2.020 40 0 EEABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(N)(=O)=O ZINC000029650324 212676344 /nfs/dbraw/zinc/67/63/44/212676344.db2.gz YABLXPJPBQULRN-UHFFFAOYSA-N 0 0 334.397 2.212 40 0 EEABRN CCOCCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O ZINC000072346410 216159458 /nfs/dbraw/zinc/15/94/58/216159458.db2.gz NPDFFEDVWYWDMJ-UHFFFAOYSA-N 0 0 330.384 2.391 40 0 EEABRN CN(C(=O)Cn1nc2oc3ccccc3n2c1=O)C1CCCCC1 ZINC000072347068 216160800 /nfs/dbraw/zinc/16/08/00/216160800.db2.gz UNACTWQDZDXGOM-UHFFFAOYSA-N 0 0 328.372 2.033 40 0 EEABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@]1(C)c1nccc(C)n1 ZINC000072388571 216189606 /nfs/dbraw/zinc/18/96/06/216189606.db2.gz JBHLXWBLDANZML-HNNXBMFYSA-N 0 0 336.417 2.090 40 0 EEABRN CC(C)COC(=O)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000022594679 212308900 /nfs/dbraw/zinc/30/89/00/212308900.db2.gz ZWYRXZZTDCUQNU-UHFFFAOYSA-N 0 0 334.460 2.020 40 0 EEABRN Cc1cccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000022273851 212287087 /nfs/dbraw/zinc/28/70/87/212287087.db2.gz XDSUOQVTUDVXGL-UHFFFAOYSA-N 0 0 332.425 2.279 40 0 EEABRN Cc1cccc(NC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1Br ZINC000194149574 240455508 /nfs/dbraw/zinc/45/55/08/240455508.db2.gz FNXFMPSPEMLPHL-JOYOIKCWSA-N 0 0 340.221 2.404 40 0 EEABRN CN(C)c1cc(CNC(=O)CCc2cnn(C)c2)c2ccccc2n1 ZINC000075386402 216614239 /nfs/dbraw/zinc/61/42/39/216614239.db2.gz ZUMAERGBPDFBLY-UHFFFAOYSA-N 0 0 337.427 2.283 40 0 EEABRN Cc1cccc(NC(=O)N[C@@H](C)c2nnnn2C)c1Br ZINC000195580363 241029445 /nfs/dbraw/zinc/02/94/45/241029445.db2.gz ZDQXJXQSWUNGFN-QMMMGPOBSA-N 0 0 339.197 2.164 40 0 EEABRN C[C@@H](C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)n1cccn1 ZINC000220763307 241456605 /nfs/dbraw/zinc/45/66/05/241456605.db2.gz BLUDSYTXOIZXKV-STQMWFEESA-N 0 0 329.404 2.186 40 0 EEABRN CS(=O)(=O)Cc1nc(CN2CCc3ccccc3CC2)cs1 ZINC000075746788 216655044 /nfs/dbraw/zinc/65/50/44/216655044.db2.gz CZJVFSXIZDTEOE-UHFFFAOYSA-N 0 0 336.482 2.289 40 0 EEABRN Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)C2)nn1 ZINC000225428772 241857699 /nfs/dbraw/zinc/85/76/99/241857699.db2.gz PGXKDHSUHBYBLW-SNVBAGLBSA-N 0 0 337.301 2.496 40 0 EEABRN O=C(NC[C@H]1CCCO1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000225551310 241923667 /nfs/dbraw/zinc/92/36/67/241923667.db2.gz ZLYWGGMFNUANRA-QGZVFWFLSA-N 0 0 343.427 2.282 40 0 EEABRN O=S(=O)(N[C@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000225715561 242000978 /nfs/dbraw/zinc/00/09/78/242000978.db2.gz WKGNWJUXRXRFCX-JTQLQIEISA-N 0 0 336.182 2.104 40 0 EEABRN CCc1cccc2c1OCC[C@H]2NC(=O)COCc1ccnn1C ZINC000225810158 242046122 /nfs/dbraw/zinc/04/61/22/242046122.db2.gz CIVTVNJYVIVJDQ-MRXNPFEDSA-N 0 0 329.400 2.139 40 0 EEABRN Cc1cc(CNC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)n(C)n1 ZINC000226747154 242111346 /nfs/dbraw/zinc/11/13/46/242111346.db2.gz UGLKFCYLGWIPLM-QGZVFWFLSA-N 0 0 330.363 2.067 40 0 EEABRN Cc1[nH]c2ccccc2c(=O)c1CNc1ccc(S(N)(=O)=O)cc1 ZINC000227163298 242125940 /nfs/dbraw/zinc/12/59/40/242125940.db2.gz CJQSVXASSBKAET-UHFFFAOYSA-N 0 0 343.408 2.096 40 0 EEABRN CC(C)OCC(=O)N1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000241795484 243004072 /nfs/dbraw/zinc/00/40/72/243004072.db2.gz RZOVQANTVCDOAE-UHFFFAOYSA-N 0 0 340.370 2.064 40 0 EEABRN COc1ccc(OC)c(CN(C(=O)[C@@H]2COCCO2)C(C)(C)C)c1 ZINC000241961313 243008325 /nfs/dbraw/zinc/00/83/25/243008325.db2.gz URIUIWXLLAOSIU-INIZCTEOSA-N 0 0 337.416 2.246 40 0 EEABRN CC(C)c1nncn1CCNC(=O)c1cc(Cl)cc(F)c1N ZINC000242038618 243008390 /nfs/dbraw/zinc/00/83/90/243008390.db2.gz VMMPCPYPWBICPB-UHFFFAOYSA-N 0 0 325.775 2.206 40 0 EEABRN Cc1cncc(C(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)c1 ZINC000247939559 243483732 /nfs/dbraw/zinc/48/37/32/243483732.db2.gz UJAYEJPDXUBHAE-INIZCTEOSA-N 0 0 339.395 2.238 40 0 EEABRN C[C@@H]1CO[C@@H](CO)CN1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000133804373 223447702 /nfs/dbraw/zinc/44/77/02/223447702.db2.gz SOHDHMUXNPKRSI-RTXFEEFZSA-N 0 0 332.322 2.081 40 0 EEABRN COC(=O)[C@@H]1CC12CCN(C(=O)c1cc3nccnc3cc1F)CC2 ZINC000253419936 243954346 /nfs/dbraw/zinc/95/43/46/243954346.db2.gz DNGUXKXLDBFVHI-LBPRGKRZSA-N 0 0 343.358 2.184 40 0 EEABRN Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)no1 ZINC000253600166 244031495 /nfs/dbraw/zinc/03/14/95/244031495.db2.gz GVUSDGYDSIECRB-HNNXBMFYSA-N 0 0 343.431 2.175 40 0 EEABRN CCCn1nccc1-c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257204817 244131289 /nfs/dbraw/zinc/13/12/89/244131289.db2.gz AWJWATCATLFLAU-INIZCTEOSA-N 0 0 334.445 2.452 40 0 EEABRN CCn1cc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c(C)n1 ZINC000257208021 244140364 /nfs/dbraw/zinc/14/03/64/244140364.db2.gz BKHVUDPGSDXAEK-HNNXBMFYSA-N 0 0 329.404 2.173 40 0 EEABRN Cc1nccn1CC(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257210823 244149427 /nfs/dbraw/zinc/14/94/27/244149427.db2.gz BWIKYVPGSATDSU-INIZCTEOSA-N 0 0 327.432 2.059 40 0 EEABRN Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cn1 ZINC000257213710 244160366 /nfs/dbraw/zinc/16/03/66/244160366.db2.gz CITSDZHBRWXUSD-INIZCTEOSA-N 0 0 331.441 2.428 40 0 EEABRN Fc1ccnc(Nc2nccc([C@H]3CCN(Cc4ncc[nH]4)C3)n2)c1 ZINC000257219780 244181604 /nfs/dbraw/zinc/18/16/04/244181604.db2.gz DICITLGLQCYNQT-LBPRGKRZSA-N 0 0 339.378 2.467 40 0 EEABRN Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2ccccn2)n1 ZINC000257243230 244251369 /nfs/dbraw/zinc/25/13/69/244251369.db2.gz IFZDTHSUNALXKA-MRXNPFEDSA-N 0 0 325.416 2.219 40 0 EEABRN Cc1nc(CC(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)cs1 ZINC000257244984 244255385 /nfs/dbraw/zinc/25/53/85/244255385.db2.gz INPGJCOUORFXRZ-ZDUSSCGKSA-N 0 0 345.472 2.238 40 0 EEABRN CN1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccccc1 ZINC000257241662 244244435 /nfs/dbraw/zinc/24/44/35/244244435.db2.gz HYZXCPAVGTTYPQ-GOSISDBHSA-N 0 0 347.422 2.396 40 0 EEABRN Cc1cc(CC[C@H]2CN(C(=O)Cc3ccccc3C)CCO2)ncn1 ZINC000257249684 244266639 /nfs/dbraw/zinc/26/66/39/244266639.db2.gz JJIVHRBVCGNHCN-IBGZPJMESA-N 0 0 339.439 2.496 40 0 EEABRN CC(=O)NCc1nccnc1C1CCN(Cc2csc(C)n2)CC1 ZINC000257265790 244361640 /nfs/dbraw/zinc/36/16/40/244361640.db2.gz MAGJNMKHXWXYGA-UHFFFAOYSA-N 0 0 345.472 2.257 40 0 EEABRN Cc1cncc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)n1 ZINC000257271086 244377943 /nfs/dbraw/zinc/37/79/43/244377943.db2.gz MWULJBSFJMZPRM-UHFFFAOYSA-N 0 0 349.394 2.041 40 0 EEABRN O=C(COc1cccc(F)c1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257273256 244385530 /nfs/dbraw/zinc/38/55/30/244385530.db2.gz NFWHQQYYJLEZMV-ZDUSSCGKSA-N 0 0 345.374 2.205 40 0 EEABRN O=C(Nc1ccc2c(c1)OCCO2)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937258 212087536 /nfs/dbraw/zinc/08/75/36/212087536.db2.gz IDEYWBLWGIRCQG-UHFFFAOYSA-N 0 0 349.346 2.460 40 0 EEABRN COc1ccc(C(=O)N2CCN(C)CC2)nc1-c1ccc(F)cc1 ZINC000019872967 212077680 /nfs/dbraw/zinc/07/76/80/212077680.db2.gz FNGZKJUQZVXKJZ-UHFFFAOYSA-N 0 0 329.375 2.284 40 0 EEABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4ccnc(=O)[nH]4)C3)ccc2[nH]1 ZINC000257321307 244518045 /nfs/dbraw/zinc/51/80/45/244518045.db2.gz WBBYOAQGVGFHEQ-CYBMUJFWSA-N 0 0 337.383 2.387 40 0 EEABRN O=C(COc1ccccc1F)N1CC[C@H](C(=O)Nc2ccccn2)C1 ZINC000019747821 212061536 /nfs/dbraw/zinc/06/15/36/212061536.db2.gz DDCJGHSYQAZZSQ-ZDUSSCGKSA-N 0 0 343.358 2.087 40 0 EEABRN Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCn1ccnc1 ZINC000019578311 212046621 /nfs/dbraw/zinc/04/66/21/212046621.db2.gz JLTRZPFNQCOBFB-UHFFFAOYSA-N 0 0 337.427 2.104 40 0 EEABRN Cc1nccn1CCCNC(=O)c1nnn(-c2ccccc2F)c1C ZINC000019557802 212042191 /nfs/dbraw/zinc/04/21/91/212042191.db2.gz CMWUWTCBLLBOLM-UHFFFAOYSA-N 0 0 342.378 2.040 40 0 EEABRN CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000078261175 217035634 /nfs/dbraw/zinc/03/56/34/217035634.db2.gz RRYAEYDITKYDFW-MRXNPFEDSA-N 0 0 346.452 2.128 40 0 EEABRN Cc1ncc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000078926138 217148796 /nfs/dbraw/zinc/14/87/96/217148796.db2.gz AIQZNUGSOQYEMO-NSHDSACASA-N 0 0 340.449 2.260 40 0 EEABRN C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000078925066 217149113 /nfs/dbraw/zinc/14/91/13/217149113.db2.gz MNYUTMIMAZQVLM-IAGOWNOFSA-N 0 0 341.459 2.188 40 0 EEABRN C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000078986154 217165254 /nfs/dbraw/zinc/16/52/54/217165254.db2.gz HEQXWSGGZKQSNF-DTWKUNHWSA-N 0 0 342.804 2.255 40 0 EEABRN CC(C)n1nccc1NC(=O)[C@@H](C)Nc1ccc2oc(=O)[nH]c2c1 ZINC000079029601 217177706 /nfs/dbraw/zinc/17/77/06/217177706.db2.gz XXMMBBGAAJAWRX-SNVBAGLBSA-N 0 0 329.360 2.338 40 0 EEABRN CCN(C(=O)N[C@H](C)Cc1ccsc1)[C@H](C)CS(C)(=O)=O ZINC000079036236 217178392 /nfs/dbraw/zinc/17/83/92/217178392.db2.gz FSGZSPPEYSLSIT-VXGBXAGGSA-N 0 0 332.491 2.144 40 0 EEABRN CC(C)N(Cc1cccnc1)C(=O)CN1CC(=O)Nc2ccccc21 ZINC000079095006 217191802 /nfs/dbraw/zinc/19/18/02/217191802.db2.gz JPECEMHRPJGWCL-UHFFFAOYSA-N 0 0 338.411 2.277 40 0 EEABRN COc1ccc(CC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)cc1 ZINC000079334814 217209313 /nfs/dbraw/zinc/20/93/13/217209313.db2.gz TUNMKSWNFVPTDJ-INIZCTEOSA-N 0 0 330.428 2.003 40 0 EEABRN O=C([O-])C[N@H+](C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391609 217219477 /nfs/dbraw/zinc/21/94/77/217219477.db2.gz YCHVIKYYOUHNDJ-MRXNPFEDSA-N 0 0 332.400 2.337 40 0 EEABRN C[C@H](CNC(=O)c1cnccn1)Oc1cccc(Br)c1 ZINC000081303611 217380434 /nfs/dbraw/zinc/38/04/34/217380434.db2.gz AJQOZMQCHSYLDT-SNVBAGLBSA-N 0 0 336.189 2.436 40 0 EEABRN CCc1nc(CCNC(=O)N[C@H]2CCCn3nc(C)nc32)sc1C ZINC000083717602 217553158 /nfs/dbraw/zinc/55/31/58/217553158.db2.gz OKXMFNWDDHGTFQ-ZDUSSCGKSA-N 0 0 348.476 2.291 40 0 EEABRN CCC[C@]1(C)CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000084774222 217645888 /nfs/dbraw/zinc/64/58/88/217645888.db2.gz KSYAHWFRSFOFJO-MRXNPFEDSA-N 0 0 342.461 2.371 40 0 EEABRN Cn1nc([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)c2nccnc21 ZINC000012365131 211357867 /nfs/dbraw/zinc/35/78/67/211357867.db2.gz QSBPDZIBYKEZFP-CYBMUJFWSA-N 0 0 341.440 2.374 40 0 EEABRN CCc1nn(Cn2nnc3ccccc32)c(=O)c2cc3oc(C)cc3n21 ZINC000012115517 211293930 /nfs/dbraw/zinc/29/39/30/211293930.db2.gz OHVCEOLKYMWYRE-UHFFFAOYSA-N 0 0 348.366 2.364 40 0 EEABRN C[C@@H](c1cccc(F)c1)n1cc(C(=O)NCc2cccnc2)nn1 ZINC000012113269 211292925 /nfs/dbraw/zinc/29/29/25/211292925.db2.gz HGLDFIPRKULXHC-LBPRGKRZSA-N 0 0 325.347 2.352 40 0 EEABRN Cc1ccc2[nH]cc(NC(=O)NCCCn3ccnc3)c(=O)c2c1 ZINC000008994201 211030370 /nfs/dbraw/zinc/03/03/70/211030370.db2.gz AJSZFVFHPXYEAS-UHFFFAOYSA-N 0 0 325.372 2.245 40 0 EEABRN CCO[C@H]1C[C@@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2 ZINC000095400810 218335877 /nfs/dbraw/zinc/33/58/77/218335877.db2.gz SSDMMOQOPAAYCH-CABCVRRESA-N 0 0 344.415 2.196 40 0 EEABRN C[C@H](CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000095401846 218336217 /nfs/dbraw/zinc/33/62/17/218336217.db2.gz POXFKHBVYDRCRA-KOLCDFICSA-N 0 0 343.221 2.215 40 0 EEABRN COc1ccccc1C1(CNC(=O)Cn2cc(C3CC3)nn2)CC1 ZINC000095415058 218353147 /nfs/dbraw/zinc/35/31/47/218353147.db2.gz QJXCWKHOLZJCGM-UHFFFAOYSA-N 0 0 326.400 2.012 40 0 EEABRN C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@@H]1c1nncn1C ZINC000095453678 218397494 /nfs/dbraw/zinc/39/74/94/218397494.db2.gz ATJIGDHYHMMMMJ-SWLSCSKDSA-N 0 0 347.394 2.268 40 0 EEABRN CCn1nnc2c1CCN(C(=O)/C=C/c1cccs1)[C@@H]2COC ZINC000096035957 218517787 /nfs/dbraw/zinc/51/77/87/218517787.db2.gz AUYKMUSJLJPUMM-PSKZRQQASA-N 0 0 332.429 2.145 40 0 EEABRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(Cc1ccco1)C2 ZINC000096060723 218553960 /nfs/dbraw/zinc/55/39/60/218553960.db2.gz CXFIYIINDZGRFX-HNNXBMFYSA-N 0 0 339.399 2.119 40 0 EEABRN Fc1cnc(N2CCO[C@H]3C[C@@H](COCc4ccccn4)C[C@@H]32)nc1 ZINC000096082920 218581701 /nfs/dbraw/zinc/58/17/01/218581701.db2.gz JHTFGWKIKYXHBF-JQFCIGGWSA-N 0 0 344.390 2.211 40 0 EEABRN CO[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2C)CCSC1 ZINC000096097671 218590758 /nfs/dbraw/zinc/59/07/58/218590758.db2.gz DWISAPWAWSQLNV-CYBMUJFWSA-N 0 0 335.878 2.449 40 0 EEABRN COc1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C)n2)c(C)c1 ZINC000096099360 218592261 /nfs/dbraw/zinc/59/22/61/218592261.db2.gz DPTKFCSQPAXBRJ-UHFFFAOYSA-N 0 0 335.429 2.093 40 0 EEABRN Cc1cccc(S(=O)(=O)NCc2nc(C)cc(N3CCCC3)n2)c1 ZINC000096120790 218612169 /nfs/dbraw/zinc/61/21/69/218612169.db2.gz SSAZXSRDFVGXCX-UHFFFAOYSA-N 0 0 346.456 2.172 40 0 EEABRN Cc1nc(C)c(C(=O)NCc2cc(C)nc(N3CCCC3)n2)s1 ZINC000096121080 218612730 /nfs/dbraw/zinc/61/27/30/218612730.db2.gz GQEYVLJUQCJEOP-UHFFFAOYSA-N 0 0 331.445 2.389 40 0 EEABRN O=C(C1CCOCC1)N1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096219054 218693347 /nfs/dbraw/zinc/69/33/47/218693347.db2.gz BZPMILFKCIIIJL-INIZCTEOSA-N 0 0 346.427 2.037 40 0 EEABRN O=C(N1CCCC1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096224293 218700395 /nfs/dbraw/zinc/70/03/95/218700395.db2.gz LLJFKUNODGAWMS-LJQANCHMSA-N 0 0 342.443 2.112 40 0 EEABRN O=C(c1ccsc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC000096226519 218702963 /nfs/dbraw/zinc/70/29/63/218702963.db2.gz ZFLIGWPKBPDVAR-QGZVFWFLSA-N 0 0 344.440 2.050 40 0 EEABRN COc1ccc(OC)c2c1CN(Cc1cccc3nccn31)C[C@H]2O ZINC000179613985 532996978 /nfs/dbraw/zinc/99/69/78/532996978.db2.gz BAGNAMVWIJSXAZ-OAHLLOKOSA-N 0 0 339.395 2.401 40 0 EEABRN COCCOCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096423038 218789649 /nfs/dbraw/zinc/78/96/49/218789649.db2.gz GYCZQMWPVWDQSW-CYBMUJFWSA-N 0 0 326.824 2.088 40 0 EEABRN O=C(NCC1(c2ccc(F)cc2)CCC1)NC[C@@]1(O)CCSC1 ZINC000096447328 218830574 /nfs/dbraw/zinc/83/05/74/218830574.db2.gz KVLXAJSLCMZAGZ-KRWDZBQOSA-N 0 0 338.448 2.415 40 0 EEABRN CCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 ZINC000096472310 218850742 /nfs/dbraw/zinc/85/07/42/218850742.db2.gz LMCUWSGCVQQZCG-CYBMUJFWSA-N 0 0 338.835 2.408 40 0 EEABRN CC(C)n1nnnc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491328 218868679 /nfs/dbraw/zinc/86/86/79/218868679.db2.gz DVEFTNIQKDTFEB-ZDUSSCGKSA-N 0 0 328.420 2.232 40 0 EEABRN O=C(NCC[C@H]1CCCO1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000096494133 218871723 /nfs/dbraw/zinc/87/17/23/218871723.db2.gz GGKLJIAFXTVXPR-SNVBAGLBSA-N 0 0 338.770 2.359 40 0 EEABRN COc1ccc(CNC(=O)CSc2nnnn2C2CCCC2)cc1 ZINC000004968088 210343184 /nfs/dbraw/zinc/34/31/84/210343184.db2.gz FDFIGUZVVYZMSL-UHFFFAOYSA-N 0 0 347.444 2.205 40 0 EEABRN Cc1nonc1NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000097232566 219001233 /nfs/dbraw/zinc/00/12/33/219001233.db2.gz PEDHCPYGZNYCLC-ZCFIWIBFSA-N 0 0 331.298 2.496 40 0 EEABRN CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1Cl ZINC000257315764 285154997 /nfs/dbraw/zinc/15/49/97/285154997.db2.gz VCRDICVQZAANJQ-CJNGLKHVSA-N 0 0 338.835 2.090 40 0 EEABRN COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000187196642 533143238 /nfs/dbraw/zinc/14/32/38/533143238.db2.gz FRHYOGFDHLKXLU-QWHCGFSZSA-N 0 0 329.404 2.464 40 0 EEABRN CCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408585286 257895572 /nfs/dbraw/zinc/89/55/72/257895572.db2.gz YMVSMEDVVRLTFP-UHFFFAOYSA-N 0 0 325.434 2.393 40 0 EEABRN Cc1cccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)c1 ZINC000408567794 257896300 /nfs/dbraw/zinc/89/63/00/257896300.db2.gz HKHCASISJZTIAP-UHFFFAOYSA-N 0 0 335.363 2.256 40 0 EEABRN CCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21 ZINC000096198397 286153155 /nfs/dbraw/zinc/15/31/55/286153155.db2.gz ZBEMDTRQUSKVIO-INIZCTEOSA-N 0 0 342.443 2.408 40 0 EEABRN COCCCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000243650418 160229908 /nfs/dbraw/zinc/22/99/08/160229908.db2.gz OZPUCYXKUOLMJJ-UHFFFAOYSA-N 0 0 338.835 2.345 40 0 EEABRN Cc1nc(CN(C)C(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)no1 ZINC000291973990 275359768 /nfs/dbraw/zinc/35/97/68/275359768.db2.gz TVMHRLAFYWGSIC-GFCCVEGCSA-N 0 0 329.404 2.282 40 0 EEABRN CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000078917752 276192746 /nfs/dbraw/zinc/19/27/46/276192746.db2.gz QUNUUTXPBUIBDU-UHFFFAOYSA-N 0 0 334.383 2.353 40 0 EEABRN CC(=O)N1CCN(CCCS(=O)(=O)C(C)C)CC12CCCCC2 ZINC000242389359 278040834 /nfs/dbraw/zinc/04/08/34/278040834.db2.gz ZWNMDLHAOYXEKF-UHFFFAOYSA-N 0 0 344.521 2.067 40 0 EEABRN CC(=O)[C@@H]1[C@@H]2NC(=O)N[C@@]1(C)Oc1ccc(Br)cc12 ZINC000013914427 278232416 /nfs/dbraw/zinc/23/24/16/278232416.db2.gz LXPGLLUARCBQTE-WZRBSPASSA-N 0 0 325.162 2.117 40 0 EEABRN Cc1nnc(N2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)s1 ZINC000096041906 279225138 /nfs/dbraw/zinc/22/51/38/279225138.db2.gz MRFJMKGJQAGFDM-YNEHKIRRSA-N 0 0 336.392 2.196 40 0 EEABRN Cc1cnc(C(=O)Nc2ccc([C@H]3CCc4nncn4C3)cc2)cn1 ZINC000019699034 281578318 /nfs/dbraw/zinc/57/83/18/281578318.db2.gz VPNCXQHYEKHNJC-AWEZNQCLSA-N 0 0 334.383 2.359 40 0 EEABRN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2sccc2Cl)cn1 ZINC000241368011 294283096 /nfs/dbraw/zinc/28/30/96/294283096.db2.gz MJHYYRVDIDZLLE-LBPRGKRZSA-N 0 0 345.877 2.107 40 0 EEABRN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 ZINC000096181749 297355646 /nfs/dbraw/zinc/35/56/46/297355646.db2.gz FYOILDKKNVQBSV-GGNLRSJOSA-N 0 0 348.418 2.229 40 0 EEABRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000096426244 301021428 /nfs/dbraw/zinc/02/14/28/301021428.db2.gz RHDINVAZTBWSPQ-LLVKDONJSA-N 0 0 338.429 2.246 40 0 EEABRN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cncc(F)c1 ZINC000329131138 311651182 /nfs/dbraw/zinc/65/11/82/311651182.db2.gz ABOPXPGDBSMRDF-CQSZACIVSA-N 0 0 338.408 2.097 40 0 EEABRN Cc1csc(C2(NS(=O)(=O)Cc3cc(C)no3)CCC2)n1 ZINC000330148189 311728334 /nfs/dbraw/zinc/72/83/34/311728334.db2.gz UNEMTMRNJMFXML-UHFFFAOYSA-N 0 0 327.431 2.247 40 0 EEABRN Cc1ccc2oc(N3CCC(N4CCCS4(=O)=O)CC3)nc2c1 ZINC000334130016 312243633 /nfs/dbraw/zinc/24/36/33/312243633.db2.gz SSMQTHUYEJFQHF-UHFFFAOYSA-N 0 0 335.429 2.141 40 0 EEABRN CCc1cnc(CCNC(=O)N(C)C[C@H]2CCCC[C@@H]2O)s1 ZINC000097234509 323321324 /nfs/dbraw/zinc/32/13/24/323321324.db2.gz UJXJTFJPYXOMBB-OCCSQVGLSA-N 0 0 325.478 2.441 40 0 EEABRN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000097376523 323322343 /nfs/dbraw/zinc/32/23/43/323322343.db2.gz QXHSCNAIGPUPJX-KBPBESRZSA-N 0 0 338.473 2.032 40 0 EEABRN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000195564858 323515109 /nfs/dbraw/zinc/51/51/09/323515109.db2.gz PTWXWQBYMGSYHB-IIAWOOMASA-N 0 0 348.422 2.056 40 0 EEABRN CCOc1cccc(N2CCN(C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)n1 ZINC000173168764 464201878 /nfs/dbraw/zinc/20/18/78/464201878.db2.gz LNMAGOYRSQPEGA-HZPDHXFCSA-N 0 0 347.459 2.477 40 0 EEABRN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280767038 464249755 /nfs/dbraw/zinc/24/97/55/464249755.db2.gz VDXDOPWFZFWGDD-DFAYQTQMSA-N 0 0 333.812 2.132 40 0 EEABRN Cc1cc(NC(=O)N2CC[C@H](C(=O)N(C)C)C2)nn1C1CCCCC1 ZINC000333815545 465033198 /nfs/dbraw/zinc/03/31/98/465033198.db2.gz QGZPQNSPLIFTRH-AWEZNQCLSA-N 0 0 347.463 2.639 40 0 EEABRN CCOc1ccc(CNC(=O)C(=O)NCc2ccccc2OC)cc1 ZINC000298114596 465307140 /nfs/dbraw/zinc/30/71/40/465307140.db2.gz QSOSAOCNCGIMFH-UHFFFAOYSA-N 0 0 342.395 2.027 40 0 EEABRN O=C(CCc1ccccc1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000085473391 462550122 /nfs/dbraw/zinc/55/01/22/462550122.db2.gz WRZGXJIULCIRLW-GOSISDBHSA-N 0 0 348.512 2.286 40 0 EEABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1 ZINC000000421375 462561254 /nfs/dbraw/zinc/56/12/54/462561254.db2.gz VAHRCANYLQPLHL-UHFFFAOYSA-N 0 0 334.401 2.031 40 0 EEABRN COc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 ZINC000000559196 462570365 /nfs/dbraw/zinc/57/03/65/462570365.db2.gz JGZXYCGXRNUOPG-UHFFFAOYSA-N 0 0 340.445 2.228 40 0 EEABRN COc1ccc(CC(=O)NCCc2ccc3c(c2)OCO3)cc1OC ZINC000001733236 462586764 /nfs/dbraw/zinc/58/67/64/462586764.db2.gz UIDVPIDXCPMWRF-UHFFFAOYSA-N 0 0 343.379 2.334 40 0 EEABRN Cc1nn([C@H](C)C(=O)N(C)C)c(Br)c1Br ZINC000001872303 462587740 /nfs/dbraw/zinc/58/77/40/462587740.db2.gz DBIDLMGZWOBQMU-ZCFIWIBFSA-N 0 0 339.031 2.366 40 0 EEABRN Cc1nc2cccc3nc(CCCC(=O)N4CCCCC4)nc(n1)-n-2-3 ZINC000001872138 462588161 /nfs/dbraw/zinc/58/81/61/462588161.db2.gz ZIOMEALPWFKDFD-UHFFFAOYSA-N 0 0 338.415 2.244 40 0 EEABRN Cc1csc(C2CCN(C(=O)CSc3n[nH]c(C)n3)CC2)n1 ZINC000074350398 462588754 /nfs/dbraw/zinc/58/87/54/462588754.db2.gz DMLSRDUBEZJPHU-UHFFFAOYSA-N 0 0 337.474 2.376 40 0 EEABRN Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CCCO2)c(C)c1Br ZINC000002779194 462602418 /nfs/dbraw/zinc/60/24/18/462602418.db2.gz NDEWEKFJDBBMMN-SKDRFNHKSA-N 0 0 344.253 2.336 40 0 EEABRN COc1cc(C(=O)NCc2cnn(C)c2C)ccc1OC(F)F ZINC000002796423 462602804 /nfs/dbraw/zinc/60/28/04/462602804.db2.gz JZAYDFSJAYUWAA-UHFFFAOYSA-N 0 0 325.315 2.269 40 0 EEABRN Cc1ccccc1N(CCCC(=O)NC(C)(C)C)S(C)(=O)=O ZINC000113967064 462618999 /nfs/dbraw/zinc/61/89/99/462618999.db2.gz ANUQLQBBUSYWQN-UHFFFAOYSA-N 0 0 326.462 2.456 40 0 EEABRN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(C)n1 ZINC000046089103 462647946 /nfs/dbraw/zinc/64/79/46/462647946.db2.gz JBPZABYLHOAKRQ-UHFFFAOYSA-N 0 0 344.419 2.415 40 0 EEABRN O=C(NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccncc1 ZINC000075059241 462669722 /nfs/dbraw/zinc/66/97/22/462669722.db2.gz WIKRILZDHICGTH-UHFFFAOYSA-N 0 0 345.349 2.394 40 0 EEABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000006204832 462679483 /nfs/dbraw/zinc/67/94/83/462679483.db2.gz PZYTZQBIPCEROK-LBPRGKRZSA-N 0 0 346.880 2.406 40 0 EEABRN CCCCCNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000006597133 462692389 /nfs/dbraw/zinc/69/23/89/462692389.db2.gz ZTSAPLFLSDMSMK-UHFFFAOYSA-N 0 0 342.461 2.158 40 0 EEABRN O=C([O-])C1CC[NH+](Cc2c(-c3ccco3)nc3ncccn32)CC1 ZINC000006740880 462700771 /nfs/dbraw/zinc/70/07/71/462700771.db2.gz HPPJDDNZJPZVSJ-UHFFFAOYSA-N 0 0 326.356 2.286 40 0 EEABRN CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)ccc1C ZINC000075284098 462702390 /nfs/dbraw/zinc/70/23/90/462702390.db2.gz KWERTOFSBSHJPZ-UHFFFAOYSA-N 0 0 346.408 2.358 40 0 EEABRN CCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000007304677 462729142 /nfs/dbraw/zinc/72/91/42/462729142.db2.gz HLGTVGLNWKRRIT-UHFFFAOYSA-N 0 0 336.388 2.305 40 0 EEABRN CCc1cccc(CC)c1N1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O ZINC000007928197 462758361 /nfs/dbraw/zinc/75/83/61/462758361.db2.gz QTOJZKLFOSCPIS-IAGOWNOFSA-N 0 0 344.455 2.460 40 0 EEABRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000008034186 462763433 /nfs/dbraw/zinc/76/34/33/462763433.db2.gz GFNXFJGXKHSQFB-UHFFFAOYSA-N 0 0 344.314 2.021 40 0 EEABRN COC(=O)c1ccccc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1 ZINC000008091622 462766205 /nfs/dbraw/zinc/76/62/05/462766205.db2.gz LTGUPKIFFLHKHC-UKTHLTGXSA-N 0 0 326.308 2.256 40 0 EEABRN Cc1cc2cc3c(cc2n2c(=O)n(Cc4ccccn4)nc12)OCO3 ZINC000012117630 462844095 /nfs/dbraw/zinc/84/40/95/462844095.db2.gz DCHWZWKAKRRZQQ-UHFFFAOYSA-N 0 0 334.335 2.130 40 0 EEABRN Cc1ccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)o1 ZINC000013566339 462895817 /nfs/dbraw/zinc/89/58/17/462895817.db2.gz DAKLLQAAYLPVBA-UHFFFAOYSA-N 0 0 342.443 2.466 40 0 EEABRN Cc1ccccc1C(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 ZINC000077148460 462943241 /nfs/dbraw/zinc/94/32/41/462943241.db2.gz LPFOLLBDWGNVRI-UHFFFAOYSA-N 0 0 340.427 2.245 40 0 EEABRN O=S(=O)(Cc1ccccc1F)c1nnc(N2CCCC2)s1 ZINC000077536560 463001886 /nfs/dbraw/zinc/00/18/86/463001886.db2.gz VUMFOSRCWFKNIY-UHFFFAOYSA-N 0 0 327.406 2.251 40 0 EEABRN COCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019128747 463013726 /nfs/dbraw/zinc/01/37/26/463013726.db2.gz KWFQHETWCCPOFU-QWHCGFSZSA-N 0 0 342.390 2.067 40 0 EEABRN c1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)nc1 ZINC000019401380 463017447 /nfs/dbraw/zinc/01/74/47/463017447.db2.gz LLMCPNGYGKMDMI-UHFFFAOYSA-N 0 0 326.444 2.201 40 0 EEABRN Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019579886 463018781 /nfs/dbraw/zinc/01/87/81/463018781.db2.gz RHIXKDXNVRCBSI-LJQANCHMSA-N 0 0 339.395 2.252 40 0 EEABRN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](c2ccco2)C1 ZINC000095400551 463075937 /nfs/dbraw/zinc/07/59/37/463075937.db2.gz GVJJPLWWQLKZPG-HKUYNNGSSA-N 0 0 340.423 2.497 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000024255905 463081927 /nfs/dbraw/zinc/08/19/27/463081927.db2.gz LVBNJHQUZUUUGW-UHFFFAOYSA-N 0 0 335.337 2.003 40 0 EEABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N2CCOCC2)cc1 ZINC000025501403 463127253 /nfs/dbraw/zinc/12/72/53/463127253.db2.gz WQQRDTGLSZXQJK-AWEZNQCLSA-N 0 0 334.416 2.303 40 0 EEABRN COC(=O)N[C@H](C(=O)NCc1cc2cccc(OC)c2o1)C(C)C ZINC000078717228 463142543 /nfs/dbraw/zinc/14/25/43/463142543.db2.gz SMWUWQYRFDPALO-AWEZNQCLSA-N 0 0 334.372 2.438 40 0 EEABRN O=C(COc1ccc(F)cc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042110 463146817 /nfs/dbraw/zinc/14/68/17/463146817.db2.gz RFMRFYXOXNHJCJ-JENIJYKNSA-N 0 0 349.402 2.390 40 0 EEABRN Cc1ccc(CN2C[C@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096056360 463158692 /nfs/dbraw/zinc/15/86/92/463158692.db2.gz WHOIEOGWDSVBHG-BZSNNMDCSA-N 0 0 341.411 2.145 40 0 EEABRN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3nccs3)CC2)O1 ZINC000096061168 463161693 /nfs/dbraw/zinc/16/16/93/463161693.db2.gz NJSLCZJACHUNKC-CQSZACIVSA-N 0 0 335.473 2.183 40 0 EEABRN Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccc(C)nc4)C[C@H]3O2)no1 ZINC000096070625 463165463 /nfs/dbraw/zinc/16/54/63/463165463.db2.gz SERNRWPXLRGMII-NWANDNLSSA-N 0 0 328.372 2.074 40 0 EEABRN Cc1ccsc1C(=O)N1CC[C@H]2C[C@H](c3nnc(C)[nH]3)O[C@@H]2C1 ZINC000096070648 463165561 /nfs/dbraw/zinc/16/55/61/463165561.db2.gz PMACLCJCUBZDAN-YNEHKIRRSA-N 0 0 332.429 2.475 40 0 EEABRN Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2[C@@H]1C ZINC000096070145 463165631 /nfs/dbraw/zinc/16/56/31/463165631.db2.gz ZXAQMVAQBZRGOU-ZDUSSCGKSA-N 0 0 326.404 2.310 40 0 EEABRN Cc1cnc(N2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)nc1 ZINC000096074943 463169625 /nfs/dbraw/zinc/16/96/25/463169625.db2.gz HRHYDMCUKBCVGL-IBGZPJMESA-N 0 0 339.443 2.051 40 0 EEABRN c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cnccn2)c1 ZINC000096082537 463169919 /nfs/dbraw/zinc/16/99/19/463169919.db2.gz FWOFISCMZJKPFE-XYJFISCASA-N 0 0 326.400 2.072 40 0 EEABRN COCCN1C=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000096087487 463170749 /nfs/dbraw/zinc/17/07/49/463170749.db2.gz RJIWKSSSHNSNJW-UHFFFAOYSA-N 0 0 347.390 2.210 40 0 EEABRN COc1cccc(OCCNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000026836514 463172926 /nfs/dbraw/zinc/17/29/26/463172926.db2.gz MHNSVOCAKFQGTF-UHFFFAOYSA-N 0 0 325.361 2.192 40 0 EEABRN Cc1ncc(/C=C/C(=O)NCCOc2ccc3c(c2)OCO3)s1 ZINC000078996172 463176256 /nfs/dbraw/zinc/17/62/56/463176256.db2.gz ZLPGOTAHKHQJCI-HWKANZROSA-N 0 0 332.381 2.389 40 0 EEABRN C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cnn(C)c1 ZINC000096109825 463178281 /nfs/dbraw/zinc/17/82/81/463178281.db2.gz WYRRVIFUTJREJZ-AWEZNQCLSA-N 0 0 338.415 2.167 40 0 EEABRN Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cn1 ZINC000096112243 463179705 /nfs/dbraw/zinc/17/97/05/463179705.db2.gz DCGKLVNVMXRROK-CJNGLKHVSA-N 0 0 347.369 2.175 40 0 biogenic,in-vitro EEABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000096186660 463199332 /nfs/dbraw/zinc/19/93/32/463199332.db2.gz XUULRXRUQGIDFQ-ILXRZTDVSA-N 0 0 333.384 2.214 40 0 EEABRN CC(C)(C)CC(=O)N1CCC2(CN(Cc3cccnc3)C2=O)CC1 ZINC000096202896 463208000 /nfs/dbraw/zinc/20/80/00/463208000.db2.gz UWKZGKGEMNRLQQ-UHFFFAOYSA-N 0 0 329.444 2.469 40 0 EEABRN Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccc(O)cc1 ZINC000027935951 463209507 /nfs/dbraw/zinc/20/95/07/463209507.db2.gz NLWFLLDCMXFWTM-UHFFFAOYSA-N 0 0 327.306 2.275 40 0 EEABRN Cc1cccc(CN2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226791 463220499 /nfs/dbraw/zinc/22/04/99/463220499.db2.gz QUSIRBICXBEPMR-IBGZPJMESA-N 0 0 331.460 2.239 40 0 EEABRN O=C(CC1CC1)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000096227784 463222460 /nfs/dbraw/zinc/22/24/60/463222460.db2.gz CIXJBFHFTYZSSV-LIRRHRJNSA-N 0 0 342.395 2.393 40 0 EEABRN COCC(=O)N1CCC2(CC1)c1ccccc1N(c1ccoc1)C2=O ZINC000096241416 463225434 /nfs/dbraw/zinc/22/54/34/463225434.db2.gz UOBSAJRAJZRSGG-UHFFFAOYSA-N 0 0 340.379 2.465 40 0 EEABRN Cc1nc(NC(C)C)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000096253913 463228812 /nfs/dbraw/zinc/22/88/12/463228812.db2.gz MOWRFWCUEVWFHX-UHFFFAOYSA-N 0 0 346.456 2.352 40 0 EEABRN O=C(c1ccncc1F)N1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255781 463229146 /nfs/dbraw/zinc/22/91/46/463229146.db2.gz WJEDODDYFRAIGG-UHFFFAOYSA-N 0 0 341.390 2.216 40 0 EEABRN O=C(CN1CCCN(Cc2ccccc2F)CC1)Nc1ccncc1 ZINC000096403717 463238152 /nfs/dbraw/zinc/23/81/52/463238152.db2.gz KZFVQMYTYCZBRZ-UHFFFAOYSA-N 0 0 342.418 2.367 40 0 EEABRN O=C(C[C@H]1OCCc2ccccc21)NC[C@@H](O)Cc1ccccc1 ZINC000096406915 463240274 /nfs/dbraw/zinc/24/02/74/463240274.db2.gz NBQFADVKERYEHR-PKOBYXMFSA-N 0 0 325.408 2.410 40 0 EEABRN C[C@@H](CCN1CCOCC1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000096410154 463242270 /nfs/dbraw/zinc/24/22/70/463242270.db2.gz UTPNOXLYDYJCJN-MOEXGYKKSA-N 0 0 339.439 2.475 40 0 EEABRN Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000096411389 463244208 /nfs/dbraw/zinc/24/42/08/463244208.db2.gz QJNNLQUUFDSCGZ-AWEZNQCLSA-N 0 0 335.429 2.198 40 0 EEABRN COCCS(=O)(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000096414225 463247386 /nfs/dbraw/zinc/24/73/86/463247386.db2.gz RKWPUSDVZHJIAZ-UHFFFAOYSA-N 0 0 349.334 2.279 40 0 EEABRN COc1ccc(Br)c(NC(=O)N[C@@H]2CCC[C@H]2O)c1 ZINC000096415864 463248440 /nfs/dbraw/zinc/24/84/40/463248440.db2.gz HOHDFFKHYVFMME-ZYHUDNBSSA-N 0 0 329.194 2.493 40 0 EEABRN C[C@@H](CN1CCCC1=O)NC(=O)NCCc1cc2ccccc2o1 ZINC000096417799 463249579 /nfs/dbraw/zinc/24/95/79/463249579.db2.gz AZKGQOHABWEIBK-ZDUSSCGKSA-N 0 0 329.400 2.285 40 0 EEABRN O=C(NCc1nnc2n1CCC2)NCc1ccccc1OCC1CC1 ZINC000096417829 463250222 /nfs/dbraw/zinc/25/02/22/463250222.db2.gz FHVGXEGHYNMICE-UHFFFAOYSA-N 0 0 341.415 2.013 40 0 EEABRN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1ccco1)CC2 ZINC000096423946 463254222 /nfs/dbraw/zinc/25/42/22/463254222.db2.gz QWBJUMLDCQCJMR-UHFFFAOYSA-N 0 0 348.424 2.100 40 0 EEABRN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000096424155 463255490 /nfs/dbraw/zinc/25/54/90/463255490.db2.gz APYOBTXCNZGZHP-KBPBESRZSA-N 0 0 334.464 2.300 40 0 EEABRN C[C@H](SCCNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000096430199 463259174 /nfs/dbraw/zinc/25/91/74/463259174.db2.gz MKXPTBRYLAIXLM-JTQLQIEISA-N 0 0 331.488 2.254 40 0 EEABRN CCO[C@H]1C[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)C12CCCC2 ZINC000096432483 463261133 /nfs/dbraw/zinc/26/11/33/463261133.db2.gz OQQATVHGLYNGSX-CABCVRRESA-N 0 0 341.415 2.130 40 0 EEABRN NC(=O)[C@H](NCc1ccco1)c1ccc(Br)cc1F ZINC000096436802 463265097 /nfs/dbraw/zinc/26/50/97/463265097.db2.gz LBKYZOJDHCVDBL-GFCCVEGCSA-N 0 0 327.153 2.497 40 0 EEABRN CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cc(C)oc2C)C12CCC2 ZINC000096440802 463267423 /nfs/dbraw/zinc/26/74/23/463267423.db2.gz UPBQDFNNFPUAAG-HUUCEWRRSA-N 0 0 334.416 2.090 40 0 EEABRN CCc1cnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000096443486 463268806 /nfs/dbraw/zinc/26/88/06/463268806.db2.gz PEQUBEKLAPXBGL-OAHLLOKOSA-N 0 0 330.457 2.054 40 0 EEABRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000096450642 463272013 /nfs/dbraw/zinc/27/20/13/463272013.db2.gz ALHQRILXPNGZGG-OUAUKWLOSA-N 0 0 338.395 2.188 40 0 EEABRN CC(C)(O)CCn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1 ZINC000096452637 463273383 /nfs/dbraw/zinc/27/33/83/463273383.db2.gz YSMLUIIOGKVZOH-UHFFFAOYSA-N 0 0 343.431 2.033 40 0 EEABRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]c2c1CCCC2 ZINC000096461368 463276353 /nfs/dbraw/zinc/27/63/53/463276353.db2.gz QBZWLANGPRXXBR-UHFFFAOYSA-N 0 0 340.427 2.373 40 0 EEABRN CCc1nsc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000096469736 463278202 /nfs/dbraw/zinc/27/82/02/463278202.db2.gz CELNVGXUZIFKKU-HUUCEWRRSA-N 0 0 330.457 2.190 40 0 EEABRN Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000096470968 463278985 /nfs/dbraw/zinc/27/89/85/463278985.db2.gz FQEQGLBEEHMJNL-MSOLQXFVSA-N 0 0 325.412 2.049 40 0 EEABRN COC(=O)NCCC(=O)N[C@H](C)Cc1ccccc1Br ZINC000096470482 463279123 /nfs/dbraw/zinc/27/91/23/463279123.db2.gz KDGLHMHXZJKIKM-SNVBAGLBSA-N 0 0 343.221 2.242 40 0 EEABRN C[C@@H]1CN(CCCCNc2ccccc2S(C)(=O)=O)C[C@@H](C)O1 ZINC000096481008 463281735 /nfs/dbraw/zinc/28/17/35/463281735.db2.gz NKSNKIZREJBFFY-HUUCEWRRSA-N 0 0 340.489 2.391 40 0 EEABRN Cc1cnc(CCN(C)C(=O)C2CCN(c3cnccn3)CC2)s1 ZINC000096484480 463283031 /nfs/dbraw/zinc/28/30/31/463283031.db2.gz XKUXSARRPUZGAD-UHFFFAOYSA-N 0 0 345.472 2.159 40 0 EEABRN CCc1noc(C)c1CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000096491458 463286372 /nfs/dbraw/zinc/28/63/72/463286372.db2.gz OCCGUQVSGUMTDA-LLVKDONJSA-N 0 0 337.445 2.304 40 0 EEABRN COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000030288875 463292798 /nfs/dbraw/zinc/29/27/98/463292798.db2.gz HOCGWNZJRRJFPZ-UHFFFAOYSA-N 0 0 339.388 2.364 40 0 EEABRN CO[C@@]1(C)C[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1(C)C ZINC000080720892 463350917 /nfs/dbraw/zinc/35/09/17/463350917.db2.gz OTMDYKMBUZDKEO-KSSFIOAISA-N 0 0 332.448 2.013 40 0 EEABRN COc1ccc(CCN2CCN(C(=O)c3csnc3C)CC2)cc1 ZINC000097237498 463352053 /nfs/dbraw/zinc/35/20/53/463352053.db2.gz KGTQXOZREYRBPG-UHFFFAOYSA-N 0 0 345.468 2.461 40 0 EEABRN CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)C(=O)N(C)C1=S ZINC000033764241 463423818 /nfs/dbraw/zinc/42/38/18/463423818.db2.gz VHXRBVAOWCVVMQ-UHFFFAOYSA-N 0 0 328.315 2.304 40 0 EEABRN Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c(=O)[nH]1 ZINC000081367560 463426217 /nfs/dbraw/zinc/42/62/17/463426217.db2.gz LOSXPUJQPVCZQE-UHFFFAOYSA-N 0 0 330.359 2.258 40 0 EEABRN Cc1nn(C(C)C)c2cnn(CCNS(=O)(=O)c3ccccc3)c12 ZINC000057279702 463474482 /nfs/dbraw/zinc/47/44/82/463474482.db2.gz MNQUPGJVJXLPFY-UHFFFAOYSA-N 0 0 347.444 2.101 40 0 EEABRN O=C(Nc1ccn(CCc2ccccn2)n1)N[C@@H]1CCCC[C@H]1CO ZINC000081649473 463477484 /nfs/dbraw/zinc/47/74/84/463477484.db2.gz JFRLZEUDQVBXCC-GOEBONIOSA-N 0 0 343.431 2.193 40 0 EEABRN COc1cccc([C@@H]2[C@H](N)C(=O)N2Cc2ccc(OC)c(OC)c2)c1 ZINC000072227072 463483823 /nfs/dbraw/zinc/48/38/23/463483823.db2.gz VNQBYXOTYICALP-ZWKOTPCHSA-N 0 0 342.395 2.123 40 0 EEABRN COc1ccc([C@@H]2[C@H](N)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000072228194 463484601 /nfs/dbraw/zinc/48/46/01/463484601.db2.gz BRDHYEAURDXBIC-DLBZAZTESA-N 0 0 330.359 2.254 40 0 EEABRN CN1C(=O)CO[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241455 463486661 /nfs/dbraw/zinc/48/66/61/463486661.db2.gz KOGVJJGPWDBBDB-HOTGVXAUSA-N 0 0 336.819 2.251 40 0 EEABRN O=C(c1ccco1)N1[C@@H]2CC[C@H]1Cn1c(=O)c3ccccc3nc1C2 ZINC000072327382 463509739 /nfs/dbraw/zinc/50/97/39/463509739.db2.gz CCEXIHWKIKYSBB-OLZOCXBDSA-N 0 0 335.363 2.219 40 0 EEABRN COC(=O)c1cccc(S(=O)(=O)NCCCOC2CCCC2)c1 ZINC000057925910 463530896 /nfs/dbraw/zinc/53/08/96/463530896.db2.gz AOFSXYJYKLIJGT-UHFFFAOYSA-N 0 0 341.429 2.101 40 0 EEABRN Cc1cc(C)cc(OCCNC(=O)N2CCC(c3nnc[nH]3)CC2)c1 ZINC000083713760 463556469 /nfs/dbraw/zinc/55/64/69/463556469.db2.gz ZJJFHXPBJAATJK-UHFFFAOYSA-N 0 0 343.431 2.390 40 0 EEABRN Cn1cccc1C(=O)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000107716792 463580152 /nfs/dbraw/zinc/58/01/52/463580152.db2.gz DACCCVGWPCEHOO-RYQLBKOJSA-N 0 0 341.411 2.009 40 0 EEABRN Cc1occc1C(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108535988 463612187 /nfs/dbraw/zinc/61/21/87/463612187.db2.gz ASEGXKJXHQWNNR-ROUUACIJSA-N 0 0 341.411 2.099 40 0 EEABRN COc1cc(OC)cc(C(=O)N2CCN(CC(F)(F)F)CC2)c1 ZINC000044448581 463678910 /nfs/dbraw/zinc/67/89/10/463678910.db2.gz WSVOBHPHYDQGCF-UHFFFAOYSA-N 0 0 332.322 2.024 40 0 EEABRN COC(=O)C1CCN(C(=O)COc2cc(C)ccc2Cl)CC1 ZINC000044865526 463696363 /nfs/dbraw/zinc/69/63/63/463696363.db2.gz MHKJTDJXNAEPNP-UHFFFAOYSA-N 0 0 325.792 2.439 40 0 EEABRN Cc1cc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228297 463756248 /nfs/dbraw/zinc/75/62/48/463756248.db2.gz FTIGTXQKRKIRQX-LJQANCHMSA-N 0 0 341.411 2.438 40 0 EEABRN Cc1cc(CC[C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 ZINC000257279566 463760489 /nfs/dbraw/zinc/76/04/89/463760489.db2.gz OHFXBMMXPMEEOD-QGZVFWFLSA-N 0 0 325.412 2.326 40 0 EEABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257283642 463760995 /nfs/dbraw/zinc/76/09/95/463760995.db2.gz OZENSBTWTHURNI-ZDUSSCGKSA-N 0 0 327.384 2.276 40 0 EEABRN COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000257286608 463763684 /nfs/dbraw/zinc/76/36/84/463763684.db2.gz PMFMCLDBYUEWMW-KRWDZBQOSA-N 0 0 336.395 2.358 40 0 EEABRN Nc1nccnc1[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291927 463764789 /nfs/dbraw/zinc/76/47/89/463764789.db2.gz QJGUOXGBXSQKMU-OAHLLOKOSA-N 0 0 336.399 2.022 40 0 EEABRN CN(C)c1cncc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)n1 ZINC000257294429 463765966 /nfs/dbraw/zinc/76/59/66/463765966.db2.gz QUCSNMRPJLRFLZ-AWEZNQCLSA-N 0 0 341.415 2.387 40 0 EEABRN Cc1nc(N)cc([C@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)n1 ZINC000257314775 463775115 /nfs/dbraw/zinc/77/51/15/463775115.db2.gz UYJSIECHXZSEIK-OAHLLOKOSA-N 0 0 336.399 2.301 40 0 EEABRN CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1ccccc1 ZINC000257333113 463780958 /nfs/dbraw/zinc/78/09/58/463780958.db2.gz YAFBOUYEWCAYBL-QGZVFWFLSA-N 0 0 338.411 2.398 40 0 EEABRN CNc1cc([C@@H]2CCCN2C(=O)CCc2cc(OC)no2)ccn1 ZINC000257338805 463784718 /nfs/dbraw/zinc/78/47/18/463784718.db2.gz YZAQIZYOJNITOU-AWEZNQCLSA-N 0 0 330.388 2.416 40 0 EEABRN O=C(Nc1cnccn1)c1cccc([C@@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000257341906 463785585 /nfs/dbraw/zinc/78/55/85/463785585.db2.gz ZMJMGIIAJNRCEE-HNNXBMFYSA-N 0 0 349.398 2.184 40 0 EEABRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000194162147 463805370 /nfs/dbraw/zinc/80/53/70/463805370.db2.gz VLCQWQZBESPZPZ-ZUZCIYMTSA-N 0 0 335.379 2.261 40 0 EEABRN O=C(NCCCNC(=O)C1CCC1)NCc1ccc2ncccc2c1 ZINC000194568946 463886253 /nfs/dbraw/zinc/88/62/53/463886253.db2.gz XJMFASAXLIDCPI-UHFFFAOYSA-N 0 0 340.427 2.340 40 0 EEABRN COc1ccc(-n2ccnc2S(=O)(=O)Cc2cc(C)on2)cc1 ZINC000195145338 464003567 /nfs/dbraw/zinc/00/35/67/464003567.db2.gz JNLPTGKTJXIDIB-UHFFFAOYSA-N 0 0 333.369 2.151 40 0 EEABRN CCn1ncnc1CSc1nc2sc3c(c2c(=O)n1C)CCC3 ZINC000195407391 464050486 /nfs/dbraw/zinc/05/04/86/464050486.db2.gz NAYUKQZTWNPJHM-UHFFFAOYSA-N 0 0 347.469 2.387 40 0 EEABRN CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)[C@@H](c2ccccc2)C1 ZINC000195529137 464072132 /nfs/dbraw/zinc/07/21/32/464072132.db2.gz OSHIFQFTIYFJNC-QGZVFWFLSA-N 0 0 341.455 2.252 40 0 EEABRN CCOCC(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558080 464076224 /nfs/dbraw/zinc/07/62/24/464076224.db2.gz SVYCADLAXMLTRI-XJKSGUPXSA-N 0 0 330.350 2.392 40 0 EEABRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H](C)C[S@@](C)=O ZINC000195565407 464079073 /nfs/dbraw/zinc/07/90/73/464079073.db2.gz LYPOOONPOOTHNM-WOZUBWMWSA-N 0 0 338.473 2.181 40 0 EEABRN O=C(Nc1cnn(Cc2ccccn2)c1)c1cccc(-n2ccnn2)c1 ZINC000179406140 464130150 /nfs/dbraw/zinc/13/01/50/464130150.db2.gz YYMQBDGHBBMKQD-UHFFFAOYSA-N 0 0 345.366 2.159 40 0 EEABRN COC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000223168518 464137622 /nfs/dbraw/zinc/13/76/22/464137622.db2.gz JOCZOOKHAHBNGY-BQYQJAHWSA-N 0 0 335.410 2.455 40 0 EEABRN COc1cc(CNC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000263647162 464139427 /nfs/dbraw/zinc/13/94/27/464139427.db2.gz IBZZOCIHOVOCRD-UHFFFAOYSA-N 0 0 349.431 2.354 40 0 EEABRN C[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000225425793 464160036 /nfs/dbraw/zinc/16/00/36/464160036.db2.gz CCQRXFNJYCDKLR-CABCVRRESA-N 0 0 327.428 2.209 40 0 EEABRN COC(=O)[C@]12CN(C(=O)N[C@@H](C)c3cn(C)nc3C)C[C@H]1CCCC2 ZINC000225458387 464161427 /nfs/dbraw/zinc/16/14/27/464161427.db2.gz PMQIKNPWKBJVPC-WPKBUWHJSA-N 0 0 348.447 2.164 40 0 EEABRN Nc1ncnc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480954 464163712 /nfs/dbraw/zinc/16/37/12/464163712.db2.gz KTTHWSZQFMCDMI-ZDUSSCGKSA-N 0 0 345.834 2.215 40 0 EEABRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000225513312 464167217 /nfs/dbraw/zinc/16/72/17/464167217.db2.gz PWNURAHXQZNOLJ-CQSZACIVSA-N 0 0 327.432 2.072 40 0 EEABRN CC[C@H]1Oc2cc([C@H](C)NCc3nccc(N)n3)ccc2NC1=O ZINC000180021670 464226319 /nfs/dbraw/zinc/22/63/19/464226319.db2.gz QPFLIRWWGASYRR-GXFFZTMASA-N 0 0 327.388 2.019 40 0 EEABRN C[C@]1(NC(=O)c2c(F)cccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000188308233 464250486 /nfs/dbraw/zinc/25/04/86/464250486.db2.gz QZHXXXSKEVVANN-LBPRGKRZSA-N 0 0 339.310 2.152 40 0 EEABRN O=C(NC1CN(C(=O)Nc2ccc(C(F)(F)F)nc2)C1)C1CCC1 ZINC000284841890 464361695 /nfs/dbraw/zinc/36/16/95/464361695.db2.gz PSYRXGIUQKCIMX-UHFFFAOYSA-N 0 0 342.321 2.233 40 0 EEABRN Cc1cccc(O[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 ZINC000238878054 464440595 /nfs/dbraw/zinc/44/05/95/464440595.db2.gz OODRQNHEMDKQND-CQSZACIVSA-N 0 0 340.379 2.455 40 0 EEABRN Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)cc1 ZINC000240068133 464444766 /nfs/dbraw/zinc/44/47/66/464444766.db2.gz SJFRMSIHYQOPBO-SHTZXODSSA-N 0 0 347.440 2.454 40 0 EEABRN Cc1cc(OC2CN(C(=O)/C=C/c3ccco3)C2)cc(=O)n1C1CC1 ZINC000244986092 464466920 /nfs/dbraw/zinc/46/69/20/464466920.db2.gz JFUHATXSHSCEAN-UHFFFAOYSA-N 0 0 340.379 2.388 40 0 EEABRN CN(C)[C@H](CNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1cnn(C)c1 ZINC000245281224 464470286 /nfs/dbraw/zinc/47/02/86/464470286.db2.gz AJKOEPCQAQEUBS-YESZJQIVSA-N 0 0 345.422 2.017 40 0 EEABRN C[C@@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000189598341 464532337 /nfs/dbraw/zinc/53/23/37/464532337.db2.gz QWJIDHONJLTVOT-ACJLOTCBSA-N 0 0 349.479 2.306 40 0 EEABRN C[C@H](NC(=O)NC[C@](C)(O)C1CCCCC1)c1nnc2n1CCCC2 ZINC000189598317 464532410 /nfs/dbraw/zinc/53/24/10/464532410.db2.gz QWJIDHONJLTVOT-UGSOOPFHSA-N 0 0 349.479 2.306 40 0 EEABRN CCn1c(=O)[nH]nc1S[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189987558 464579722 /nfs/dbraw/zinc/57/97/22/464579722.db2.gz QACBKUVZBSDRAB-CYBMUJFWSA-N 0 0 346.456 2.414 40 0 EEABRN O=C(NCc1ccc(Br)cc1)NC[C@H]1CC[C@H](O)C1 ZINC000190569589 464678634 /nfs/dbraw/zinc/67/86/34/464678634.db2.gz LIEXZBSJJWIKNR-AAEUAGOBSA-N 0 0 327.222 2.409 40 0 EEABRN COC(=O)[C@H](Cc1ccc(F)cc1)Sc1ncnc2c1cnn2C ZINC000272897549 464695017 /nfs/dbraw/zinc/69/50/17/464695017.db2.gz CDSFAPCCTRYUGB-ZDUSSCGKSA-N 0 0 346.387 2.379 40 0 EEABRN O=C(Cc1ccccn1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000247865945 464711195 /nfs/dbraw/zinc/71/11/95/464711195.db2.gz OQDMBEXSGMYUEJ-IBGZPJMESA-N 0 0 348.406 2.311 40 0 EEABRN CC(C)(C)n1ncnc1CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000282136769 464711128 /nfs/dbraw/zinc/71/11/28/464711128.db2.gz ALCGPGYXRNOZML-GOSISDBHSA-N 0 0 326.400 2.250 40 0 EEABRN CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000247953392 464715973 /nfs/dbraw/zinc/71/59/73/464715973.db2.gz CNEQEYQXOSSCPY-SUHUHFCYSA-N 0 0 340.395 2.058 40 0 EEABRN CC(=O)N1c2ccc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)cc2C[C@@H]1C ZINC000247950109 464716057 /nfs/dbraw/zinc/71/60/57/464716057.db2.gz QFXZIDXLEFXTGB-IHRRRGAJSA-N 0 0 345.443 2.032 40 0 EEABRN Cn1cnc2c1[C@@H](C(=O)NCc1ccco1)CN(C1CCCC1)C2 ZINC000248026486 464723581 /nfs/dbraw/zinc/72/35/81/464723581.db2.gz JQIWRYUEZKJCMC-HNNXBMFYSA-N 0 0 328.416 2.171 40 0 EEABRN Cn1cccc1C(=O)NC[C@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000248096005 464730029 /nfs/dbraw/zinc/73/00/29/464730029.db2.gz CZRNJMBRKQGYJN-OAHLLOKOSA-N 0 0 343.427 2.029 40 0 EEABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000250232253 464927276 /nfs/dbraw/zinc/92/72/76/464927276.db2.gz FOMPJXDFLLHYGY-OCCSQVGLSA-N 0 0 342.436 2.065 40 0 EEABRN COC[C@@H](NC(=O)NCCc1ccc2[nH]ccc2c1)[C@@H]1CCCO1 ZINC000252485346 464963033 /nfs/dbraw/zinc/96/30/33/464963033.db2.gz GRTVWAPRKMUUIX-SJORKVTESA-N 0 0 331.416 2.204 40 0 EEABRN CS(=O)(=O)c1ccccc1CC(=O)NC/C=C/c1ccccc1 ZINC000252495705 464969910 /nfs/dbraw/zinc/96/99/10/464969910.db2.gz OWYDIWUDCAWBNS-JXMROGBWSA-N 0 0 329.421 2.462 40 0 EEABRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000252511148 464977221 /nfs/dbraw/zinc/97/72/21/464977221.db2.gz ZUZVVVOIVHWDLB-ARFHVFGLSA-N 0 0 333.432 2.152 40 0 EEABRN Cc1cc(=O)[nH]c([C@H](C)N2CCN([C@H](C)c3ccccn3)CC2)n1 ZINC000192784978 464996521 /nfs/dbraw/zinc/99/65/21/464996521.db2.gz YDLXUVFUAOCLLB-CABCVRRESA-N 0 0 327.432 2.325 40 0 EEABRN CC(=O)Nc1ccc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1 ZINC000253473311 465016373 /nfs/dbraw/zinc/01/63/73/465016373.db2.gz UCURZXNGOCNLSB-INIZCTEOSA-N 0 0 339.399 2.201 40 0 EEABRN C[C@@H]1CN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC[C@H]1O ZINC000253602275 465018818 /nfs/dbraw/zinc/01/88/18/465018818.db2.gz MQWULOCVSPUDPJ-IUODEOHRSA-N 0 0 337.383 2.401 40 0 EEABRN O=C(c1cccc(O)c1)N1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000306125529 466488611 /nfs/dbraw/zinc/48/86/11/466488611.db2.gz CTHZRXYHQYCXMT-HNNXBMFYSA-N 0 0 340.379 2.097 40 0 EEABRN CCOc1ccc(N([C@H](C)C(=O)N(CC)CC)S(C)(=O)=O)cc1 ZINC000408922498 466684350 /nfs/dbraw/zinc/68/43/50/466684350.db2.gz BKGKOCOMWFDEDY-CYBMUJFWSA-N 0 0 342.461 2.108 40 0 EEABRN O=C(N1CC2(C1)C[C@H](OCC1CCOCC1)CS2)C1(F)CCC1 ZINC000575403514 468141423 /nfs/dbraw/zinc/14/14/23/468141423.db2.gz MKFNRYDUETYIFV-AWEZNQCLSA-N 0 0 343.464 2.408 40 0 EEABRN Cc1cncc(O[C@H]2CCOC3(CN(C(=O)CCC(C)C)C3)C2)n1 ZINC000575405035 468141908 /nfs/dbraw/zinc/14/19/08/468141908.db2.gz QOTHPSRCFPJZMW-HNNXBMFYSA-N 0 0 333.432 2.360 40 0 EEABRN CSc1cccc(C(=O)NCCn2nc(C3CC3)ccc2=O)c1 ZINC000575609672 468147639 /nfs/dbraw/zinc/14/76/39/468147639.db2.gz ZRCRMBGQYFNITK-UHFFFAOYSA-N 0 0 329.425 2.273 40 0 EEABRN CCOCC[C@H]1Cn2cccc2CN(S(=O)(=O)c2cccnc2)C1 ZINC000585095049 468964552 /nfs/dbraw/zinc/96/45/52/468964552.db2.gz BMCUFMCUTWUZOY-HNNXBMFYSA-N 0 0 349.456 2.130 40 0 EEABRN CNC(=O)C[C@@H]1Cn2cccc2CN(C(=O)c2sccc2C)C1 ZINC000585099219 468966979 /nfs/dbraw/zinc/96/69/79/468966979.db2.gz VYNYZZMQGXPEKI-CYBMUJFWSA-N 0 0 331.441 2.266 40 0 EEABRN C[C@H]1c2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1 ZINC000585098105 468967010 /nfs/dbraw/zinc/96/70/10/468967010.db2.gz UFWVUSAXLGDUBR-LBPRGKRZSA-N 0 0 339.355 2.062 40 0 EEABRN O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]12 ZINC000585109246 468973616 /nfs/dbraw/zinc/97/36/16/468973616.db2.gz FFWWGSHTYNWXQS-ILXRZTDVSA-N 0 0 334.441 2.036 40 0 EEABRN O=C(OCCF)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cc(F)cc(F)c1 ZINC000585108975 468973641 /nfs/dbraw/zinc/97/36/41/468973641.db2.gz JGSOFUWEAINOEQ-KBPBESRZSA-N 0 0 342.317 2.246 40 0 EEABRN CN1CCCC[C@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)C1=O ZINC000585140745 468990167 /nfs/dbraw/zinc/99/01/67/468990167.db2.gz KJTRUTKDPHULRS-LPHOPBHVSA-N 0 0 330.428 2.019 40 0 EEABRN COc1cccc(CC(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1 ZINC000585146980 468992288 /nfs/dbraw/zinc/99/22/88/468992288.db2.gz ADOBKCVAPCAAEA-UHFFFAOYSA-N 0 0 341.411 2.406 40 0 EEABRN COc1ccccc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585273978 468999045 /nfs/dbraw/zinc/99/90/45/468999045.db2.gz XRPWTRJYPGZDPH-FQEVSTJZSA-N 0 0 341.407 2.141 40 0 EEABRN Cc1ccccc1OC[C@]1(O)CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000585277863 469003014 /nfs/dbraw/zinc/00/30/14/469003014.db2.gz WWJPOANTQUSYSI-FQEVSTJZSA-N 0 0 347.455 2.423 40 0 EEABRN O=C(CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1)NC1CCCC1 ZINC000585278956 469005281 /nfs/dbraw/zinc/00/52/81/469005281.db2.gz JMXLKCHBJWDOOC-QAPCUYQASA-N 0 0 334.435 2.110 40 0 EEABRN CO[C@@H]1CN(C(=O)c2ccncc2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585288299 469009001 /nfs/dbraw/zinc/00/90/01/469009001.db2.gz UPWOPTMUMATNAR-NLWGTHIKSA-N 0 0 338.407 2.495 40 0 EEABRN CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cccnc2)CC[C@@]1(C)O ZINC000604382276 469475217 /nfs/dbraw/zinc/47/52/17/469475217.db2.gz MUPNFNCDYLAJBM-SLFFLAALSA-N 0 0 339.439 2.284 40 0 biogenic,in-vitro EEABRN CC(C)O[C@H]1C[C@@H](Nc2ncnc3ccc(S(C)(=O)=O)cc32)C1 ZINC000665729855 472160326 /nfs/dbraw/zinc/16/03/26/472160326.db2.gz AZZLOJABAUCASO-TXEJJXNPSA-N 0 0 335.429 2.401 40 0 EEABRN COc1ccc(N(C(=O)[C@H]2CSCN2C(C)=O)C(C)C)cc1F ZINC000158137990 524336782 /nfs/dbraw/zinc/33/67/82/524336782.db2.gz ORZNYOGGZRSJEA-CQSZACIVSA-N 0 0 340.420 2.497 40 0 EEABRN Cc1cccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)c1C ZINC000022573247 524756880 /nfs/dbraw/zinc/75/68/80/524756880.db2.gz JVTUIUBKUWYEBL-SFHVURJKSA-N 0 0 341.455 2.260 40 0 EEABRN Cc1cnc(C)c(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000195563716 525984141 /nfs/dbraw/zinc/98/41/41/525984141.db2.gz XUZJJUXHRUVHJN-UHFFFAOYSA-N 0 0 349.438 2.466 40 0 EEABRN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000096473687 528137505 /nfs/dbraw/zinc/13/75/05/528137505.db2.gz LZILEULNGYRGDU-HZPDHXFCSA-N 0 0 332.448 2.487 40 0 EEABRN CCNC(=S)Nc1nc(OC)cc(N2Cc3ccccc3C2)n1 ZINC000225881382 535451449 /nfs/dbraw/zinc/45/14/49/535451449.db2.gz ADXZSUHWQMWZAY-UHFFFAOYSA-N 0 0 329.429 2.312 40 0 EEABRN COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000247832754 536554752 /nfs/dbraw/zinc/55/47/52/536554752.db2.gz HYSLMOZELVABSF-GFCCVEGCSA-N 0 0 347.839 2.115 40 0 EEABRN CO[C@H]1CCCOC12CCN(S(=O)(=O)c1ccccc1C)CC2 ZINC000257223835 536714585 /nfs/dbraw/zinc/71/45/85/536714585.db2.gz DZCRAOLFVGVCCZ-INIZCTEOSA-N 0 0 339.457 2.344 40 0 EEABRN OCC(F)(F)CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1 ZINC000895096158 683872257 /nfs/dbraw/zinc/87/22/57/683872257.db2.gz QHXXGLSHXCICMO-UHFFFAOYSA-N 0 0 342.777 2.033 40 0 EEABRN CO[C@@H]1COC[C@@H]1NC(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000895325934 684496094 /nfs/dbraw/zinc/49/60/94/684496094.db2.gz WDDDCHIKCFRCNG-KVSKMBFKSA-N 0 0 344.411 2.050 40 0 EEABRN CCn1c(C)cc2n[nH]c(NC(=O)c3cccc4c3OCC4)c2c1=O ZINC000899174760 693646603 /nfs/dbraw/zinc/64/66/03/693646603.db2.gz KQXKTZHXPQRYOO-UHFFFAOYSA-N 0 0 338.367 2.240 40 0 EEABRN COc1cccc(CNCc2cccc(NS(C)(=O)=O)c2)c1F ZINC000800218892 1202222159 /nfs/dbraw/zinc/22/21/59/1202222159.db2.gz DGSUVMUGBFDAIP-UHFFFAOYSA-N 0 0 338.404 2.496 40 0 EEABRN CCN1C(=O)N=NC1C1CCN(Cc2nc(C(C)C)ns2)CC1 ZINC000930059161 1206532186 /nfs/dbraw/zinc/53/21/86/1206532186.db2.gz VKRNAMWJGXCDFZ-UHFFFAOYSA-N 0 0 336.465 2.358 40 0 EEABRN COc1ccc(CCNc2ncnc3c(C)n(C)nc32)cc1OC ZINC000041070364 1352492712 /nfs/dbraw/zinc/49/27/12/1352492712.db2.gz ZAVRFEWSUCGLMJ-UHFFFAOYSA-N 0 0 327.388 2.344 40 0 EEABRN C[C@@]1(C(=O)NCCc2ccccn2)Sc2ccccc2NC1=O ZINC000041644113 1352510508 /nfs/dbraw/zinc/51/05/08/1352510508.db2.gz CXVQLJWFEVWFFF-KRWDZBQOSA-N 0 0 327.409 2.243 40 0 EEABRN