smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@H]1NCCc2ccccc21 ZINC000159425615 495730062 /nfs/dbraw/zinc/73/00/62/495730062.db2.gz TURFEQNVPXZNRH-HBMCJLEFSA-N 0 1 366.461 3.194 20 70 FGIDMN C[C@H](O)C[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000159473686 495739736 /nfs/dbraw/zinc/73/97/36/495739736.db2.gz PLVGGWQYNXGMIM-BWAGFHJFSA-N 0 1 366.505 3.322 20 70 FGIDMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159490793 495743498 /nfs/dbraw/zinc/74/34/98/495743498.db2.gz IANLUFDDAUFAOI-INIZCTEOSA-N 0 1 368.824 3.094 20 70 FGIDMN O=C(Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1)C1CCCCC1 ZINC000159506305 495747303 /nfs/dbraw/zinc/74/73/03/495747303.db2.gz IEIWMPNJSDARCD-KDURUIRLSA-N 0 1 355.482 3.172 20 70 FGIDMN CC[C@H](O)[C@H]1CCCCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159762549 495804007 /nfs/dbraw/zinc/80/40/07/495804007.db2.gz FXQWCNLFMWCVKV-CABCVRRESA-N 0 1 352.276 3.451 20 70 FGIDMN CC[C@H](O)[C@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159762549 495804025 /nfs/dbraw/zinc/80/40/25/495804025.db2.gz FXQWCNLFMWCVKV-CABCVRRESA-N 0 1 352.276 3.451 20 70 FGIDMN COc1ccccc1[C@H](C)NC(=O)CN(CCc1nccs1)C(C)C ZINC000159918612 495840297 /nfs/dbraw/zinc/84/02/97/495840297.db2.gz USQUDVDRZRMAIO-HNNXBMFYSA-N 0 1 361.511 3.282 20 70 FGIDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)[nH]c2c1 ZINC000159982715 495856017 /nfs/dbraw/zinc/85/60/17/495856017.db2.gz UCOSAGRLPADBLM-OAHLLOKOSA-N 0 1 364.449 3.196 20 70 FGIDMN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(-c2nnc[nH]2)c1 ZINC000160163440 495899779 /nfs/dbraw/zinc/89/97/79/495899779.db2.gz VDJIKBKMGLFEIT-DNVCBOLYSA-N 0 1 362.433 3.369 20 70 FGIDMN CCNC(=O)c1cccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000160180059 495902278 /nfs/dbraw/zinc/90/22/78/495902278.db2.gz ZKQHIRREQXMOIR-OAHLLOKOSA-N 0 1 367.449 3.244 20 70 FGIDMN CSc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)ccc1NC(C)=O ZINC000160248907 495917855 /nfs/dbraw/zinc/91/78/55/495917855.db2.gz OFXMWYXMVAOIBK-UHFFFAOYSA-N 0 1 371.422 3.306 20 70 FGIDMN CCC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2Cl)CCN1CCOC ZINC000160275151 495925246 /nfs/dbraw/zinc/92/52/46/495925246.db2.gz OLUZNGUNHFRQQM-CQSZACIVSA-N 0 1 369.893 3.313 20 70 FGIDMN Cc1nc2ccccn2c1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000160306999 495931804 /nfs/dbraw/zinc/93/18/04/495931804.db2.gz PBQPQWNGBLYPJE-UHFFFAOYSA-N 0 1 354.498 3.304 20 70 FGIDMN O=C([C@@H]1CCCCO1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000160350510 495942265 /nfs/dbraw/zinc/94/22/65/495942265.db2.gz ATZXRBFXKQUNHS-KRWDZBQOSA-N 0 1 370.415 3.309 20 70 FGIDMN O=C([C@@H]1CCCCO1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000160350510 495942267 /nfs/dbraw/zinc/94/22/67/495942267.db2.gz ATZXRBFXKQUNHS-KRWDZBQOSA-N 0 1 370.415 3.309 20 70 FGIDMN O=C(NCc1cccnc1OC1CCCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000160352713 495943451 /nfs/dbraw/zinc/94/34/51/495943451.db2.gz KOVWYTPUKUEZKD-UHFFFAOYSA-N 0 1 363.421 3.118 20 70 FGIDMN CCc1c(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cnn1CC(C)C ZINC000160373473 495947926 /nfs/dbraw/zinc/94/79/26/495947926.db2.gz FIQPMCCJXJLBJI-FQEVSTJZSA-N 0 1 372.513 3.143 20 70 FGIDMN CCc1noc(C)c1CS(=O)(=O)c1nc(Cc2ccccc2)c(C)[nH]1 ZINC000160382303 495949286 /nfs/dbraw/zinc/94/92/86/495949286.db2.gz PNNFRCMYAQQRKA-UHFFFAOYSA-N 0 1 359.451 3.142 20 70 FGIDMN CN(Cc1cn2cccnc2n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160459216 495967802 /nfs/dbraw/zinc/96/78/02/495967802.db2.gz NYHOQYQKWRZHQH-SJPCQFCGSA-N 0 1 371.485 3.092 20 70 FGIDMN CCN(CC)[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccco1 ZINC000160640336 496009174 /nfs/dbraw/zinc/00/91/74/496009174.db2.gz FSNZOFGYNVBLNW-LBPRGKRZSA-N 0 1 373.379 3.243 20 70 FGIDMN COc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1OC ZINC000160654887 496012872 /nfs/dbraw/zinc/01/28/72/496012872.db2.gz CSXXDNMQFHMOAH-YMXBGEKHSA-N 0 1 363.479 3.301 20 70 FGIDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc2c[nH]nc2c1 ZINC000160893308 496062356 /nfs/dbraw/zinc/06/23/56/496062356.db2.gz UYTOQERYUFBTTK-UHFFFAOYSA-N 0 1 352.438 3.422 20 70 FGIDMN CCN1CCN(c2ccccc2NC(=O)c2ccnc(Cl)c2F)CC1 ZINC000160926710 496069119 /nfs/dbraw/zinc/06/91/19/496069119.db2.gz GRCGCFYFQDVNAV-UHFFFAOYSA-N 0 1 362.836 3.268 20 70 FGIDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cnc5c(c4)ncn5C)C3)[nH]c2c1 ZINC000160955073 496074413 /nfs/dbraw/zinc/07/44/13/496074413.db2.gz OJWFWXWVCYUTIT-AWEZNQCLSA-N 0 1 374.448 3.173 20 70 FGIDMN COc1ccc(CNC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000160979138 496079146 /nfs/dbraw/zinc/07/91/46/496079146.db2.gz JASGSEFTHIBMHF-CYBMUJFWSA-N 0 1 364.392 3.264 20 70 FGIDMN COc1cccc([C@H](O)C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)c1 ZINC000160996409 496082427 /nfs/dbraw/zinc/08/24/27/496082427.db2.gz DEIYQPMYDVNCIG-KRWDZBQOSA-N 0 1 366.421 3.276 20 70 FGIDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CCn5ccnc5C4)C3)[nH]c2c1 ZINC000161082457 496098524 /nfs/dbraw/zinc/09/85/24/496098524.db2.gz IYXVYFYHCWZORZ-HZPDHXFCSA-N 0 1 363.465 3.036 20 70 FGIDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3cnc4ccccc43)cc2)n[nH]1 ZINC000161081009 496098716 /nfs/dbraw/zinc/09/87/16/496098716.db2.gz COBUDXLLJFIRCA-AWEZNQCLSA-N 0 1 359.433 3.418 20 70 FGIDMN CC(=O)NC1CCC(Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000161184654 496122496 /nfs/dbraw/zinc/12/24/96/496122496.db2.gz LJVAHFAURRJSSR-JZFKGDSASA-N 0 1 359.514 3.155 20 70 FGIDMN Cc1cc(C[C@@H](C)NC(=O)c2cnc(Cc3ccc(F)cc3)s2)n[nH]1 ZINC000161278292 496142858 /nfs/dbraw/zinc/14/28/58/496142858.db2.gz SQKWIURISHTTFP-LLVKDONJSA-N 0 1 358.442 3.266 20 70 FGIDMN Cc1cc(C[C@@H](C)NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)n[nH]1 ZINC000161378536 496163178 /nfs/dbraw/zinc/16/31/78/496163178.db2.gz FXGJTGUIGFRVCK-CQSZACIVSA-N 0 1 363.465 3.062 20 70 FGIDMN COc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc2c1OCCO2 ZINC000161431750 496176285 /nfs/dbraw/zinc/17/62/85/496176285.db2.gz HIEOZZSSOUIHLF-UHFFFAOYSA-N 0 1 369.377 3.319 20 70 FGIDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000161455339 496179539 /nfs/dbraw/zinc/17/95/39/496179539.db2.gz DGAWWAWQPMKGNM-NWDGAFQWSA-N 0 1 354.422 3.285 20 70 FGIDMN CCCCn1ncc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1C ZINC000161471233 496183082 /nfs/dbraw/zinc/18/30/82/496183082.db2.gz KFHPGILOKMMWQP-LJQANCHMSA-N 0 1 354.498 3.386 20 70 FGIDMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000217198212 496996265 /nfs/dbraw/zinc/99/62/65/496996265.db2.gz KTXSTDJOKQFLEE-JRGCBEDISA-N 0 1 358.526 3.395 20 70 FGIDMN O=C(C[C@@H]1CSCCS1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000159396217 495724413 /nfs/dbraw/zinc/72/44/13/495724413.db2.gz VNNULCDVKWMYSN-QGZVFWFLSA-N 0 1 368.543 3.145 20 70 FGIDMN Cc1cccc2c(CCC(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)c[nH]c21 ZINC000159422031 495729798 /nfs/dbraw/zinc/72/97/98/495729798.db2.gz GDZNQZFMPGNWCX-CALCHBBNSA-N 0 1 357.498 3.024 20 70 FGIDMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(F)cc(F)c2)cc1 ZINC000159622064 495772436 /nfs/dbraw/zinc/77/24/36/495772436.db2.gz DJTXSHCHXKYOTM-UHFFFAOYSA-N 0 1 368.449 3.285 20 70 FGIDMN CCCCn1ncc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1C ZINC000159627974 495774023 /nfs/dbraw/zinc/77/40/23/495774023.db2.gz MDSFSLBJILBRNV-IBGZPJMESA-N 0 1 373.501 3.425 20 70 FGIDMN CN(CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159693326 495788449 /nfs/dbraw/zinc/78/84/49/495788449.db2.gz SJRQCFVUWDZRCT-CTNGQTDRSA-N 0 1 352.478 3.313 20 70 FGIDMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCCCCOC1CCCCC1 ZINC000159697794 495789206 /nfs/dbraw/zinc/78/92/06/495789206.db2.gz PAXREKSMUWGFQZ-LJQANCHMSA-N 0 1 353.551 3.488 20 70 FGIDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCCCCCOC1CCCCC1 ZINC000159697794 495789210 /nfs/dbraw/zinc/78/92/10/495789210.db2.gz PAXREKSMUWGFQZ-LJQANCHMSA-N 0 1 353.551 3.488 20 70 FGIDMN CSCCCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159695261 495789490 /nfs/dbraw/zinc/78/94/90/495789490.db2.gz XPYZHKARVRYIFW-IAGOWNOFSA-N 0 1 364.555 3.445 20 70 FGIDMN CC[N@H+]1CCCN(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000159715009 495793004 /nfs/dbraw/zinc/79/30/04/495793004.db2.gz NFKIYJDHHKRBME-UHFFFAOYSA-N 0 1 372.513 3.053 20 70 FGIDMN COC(=O)c1sc2cccc(F)c2c1CN(C)C[C@H]1CCC[C@@H]1O ZINC000159798145 495811935 /nfs/dbraw/zinc/81/19/35/495811935.db2.gz NMQZCAVEXCXLML-RISCZKNCSA-N 0 1 351.443 3.420 20 70 FGIDMN CN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159830192 495818950 /nfs/dbraw/zinc/81/89/50/495818950.db2.gz AYHLGROSLOFBOF-CTNGQTDRSA-N 0 1 352.478 3.309 20 70 FGIDMN CN(CC(=O)Nc1ccccc1Cc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159830040 495819181 /nfs/dbraw/zinc/81/91/81/495819181.db2.gz AYHLGROSLOFBOF-FPOVZHCZSA-N 0 1 352.478 3.309 20 70 FGIDMN CCn1nccc1CNCc1ccc(Oc2c(OC)cccc2OC)nc1 ZINC000160044263 495870492 /nfs/dbraw/zinc/87/04/92/495870492.db2.gz DDDGFRCTEAPVTA-UHFFFAOYSA-N 0 1 368.437 3.397 20 70 FGIDMN CCNC(=O)c1cccc(CN[C@H]2CCCOc3ccc(OC)cc32)c1 ZINC000160160466 495898420 /nfs/dbraw/zinc/89/84/20/495898420.db2.gz HNDCQLOOLCZUHZ-IBGZPJMESA-N 0 1 354.450 3.448 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(NC(=O)NC(C)C)c3)n2)o1 ZINC000160182419 495903491 /nfs/dbraw/zinc/90/34/91/495903491.db2.gz JUOXTKBVHZWBTQ-UHFFFAOYSA-N 0 1 368.397 3.155 20 70 FGIDMN CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cnn1-c1cccc(Cl)c1 ZINC000160276685 495924513 /nfs/dbraw/zinc/92/45/13/495924513.db2.gz NWZOYFZUXNDZAQ-GASCZTMLSA-N 0 1 358.873 3.055 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(OC4CCOCC4)cc3)n2)o1 ZINC000160296409 495929507 /nfs/dbraw/zinc/92/95/07/495929507.db2.gz VCXCLNKEVNRCCY-UHFFFAOYSA-N 0 1 368.393 3.183 20 70 FGIDMN COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1OC(F)F ZINC000160339134 495940044 /nfs/dbraw/zinc/94/00/44/495940044.db2.gz FUOUZBBTVUOCAO-UHFFFAOYSA-N 0 1 364.308 3.235 20 70 FGIDMN Cc1ccsc1CCCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000160371007 495947510 /nfs/dbraw/zinc/94/75/10/495947510.db2.gz DSRXBKBZTPGXPX-UHFFFAOYSA-N 0 1 358.511 3.165 20 70 FGIDMN CN(C(=O)c1ccc(CN2CCSCC2)cc1)c1ccc2c(c1)OCO2 ZINC000160533447 495986075 /nfs/dbraw/zinc/98/60/75/495986075.db2.gz CUHDVYHXUJRBAM-UHFFFAOYSA-N 0 1 370.474 3.241 20 70 FGIDMN OCCn1nccc1C1CCN(Cc2ccccc2Br)CC1 ZINC000160558244 495991488 /nfs/dbraw/zinc/99/14/88/495991488.db2.gz HUDHTHATIWVPHI-UHFFFAOYSA-N 0 1 364.287 3.018 20 70 FGIDMN COc1cc([C@H](C)NCC(=O)NCC(F)(F)F)ccc1SC(F)F ZINC000160610612 496002807 /nfs/dbraw/zinc/00/28/07/496002807.db2.gz JSVBTRJVXYIJIZ-QMMMGPOBSA-N 0 1 372.359 3.339 20 70 FGIDMN COc1ccc(-c2nc3c(s2)[C@@H](NCC(=O)NC(C)C)CCC3)cc1 ZINC000160966003 496077006 /nfs/dbraw/zinc/07/70/06/496077006.db2.gz ABADUZCZTIOOHO-HNNXBMFYSA-N 0 1 359.495 3.310 20 70 FGIDMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000161021006 496086871 /nfs/dbraw/zinc/08/68/71/496086871.db2.gz OPAYIYSEMKGEKG-AWEZNQCLSA-N 0 1 351.399 3.103 20 70 FGIDMN CN(Cc1ccc(F)cc1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000161147678 496113831 /nfs/dbraw/zinc/11/38/31/496113831.db2.gz ZENDJQIBAAHRAQ-UHFFFAOYSA-N 0 1 356.441 3.363 20 70 FGIDMN COc1cc([C@@H](C)NCc2ccc(C)nc2)ccc1S(=O)(=O)C(F)F ZINC000161299065 496147370 /nfs/dbraw/zinc/14/73/70/496147370.db2.gz ZWPMKBNHWAUJKR-GFCCVEGCSA-N 0 1 370.421 3.246 20 70 FGIDMN CC(C)N(CC(=O)OC(C)(C)C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161311701 496150202 /nfs/dbraw/zinc/15/02/02/496150202.db2.gz AFPCDRJVELOKIW-UHFFFAOYSA-N 0 1 354.535 3.323 20 70 FGIDMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)s1 ZINC000161401398 496168251 /nfs/dbraw/zinc/16/82/51/496168251.db2.gz GIIPGJFRMMTRDB-VXGBXAGGSA-N 0 1 367.540 3.334 20 70 FGIDMN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161416818 496172606 /nfs/dbraw/zinc/17/26/06/496172606.db2.gz UUTKJSLRHDWKCZ-HNNXBMFYSA-N 0 1 370.497 3.341 20 70 FGIDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000161469528 496181877 /nfs/dbraw/zinc/18/18/77/496181877.db2.gz FBHZVZKNDGSPLL-OAHLLOKOSA-N 0 1 374.456 3.370 20 70 FGIDMN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000161469528 496181881 /nfs/dbraw/zinc/18/18/81/496181881.db2.gz FBHZVZKNDGSPLL-OAHLLOKOSA-N 0 1 374.456 3.370 20 70 FGIDMN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc2nc[nH]c21 ZINC000159474626 495740239 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COc1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(N(C)C)c2)cc1OC ZINC000159832300 495820789 /nfs/dbraw/zinc/82/07/89/495820789.db2.gz INLVLNPQFHGCLK-OAHLLOKOSA-N 0 1 371.481 3.229 20 70 FGIDMN Cc1cc(C[C@@H](C)NC(=O)Nc2nnc(Cc3ccccc3F)s2)n[nH]1 ZINC000159967414 495851556 /nfs/dbraw/zinc/85/15/56/495851556.db2.gz JNLQIMSSHWVJHH-SNVBAGLBSA-N 0 1 374.445 3.052 20 70 FGIDMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000160059403 495874842 /nfs/dbraw/zinc/87/48/42/495874842.db2.gz UBRNGVVDXLFYBM-UHFFFAOYSA-N 0 1 372.444 3.015 20 70 FGIDMN C[N@@H+](CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1 ZINC000160142454 495893657 /nfs/dbraw/zinc/89/36/57/495893657.db2.gz HVSJMMRTXKKOGT-FQEVSTJZSA-N 0 1 369.465 3.108 20 70 FGIDMN CCOC(=O)[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160279110 495925846 /nfs/dbraw/zinc/92/58/46/495925846.db2.gz POMXZVXFNVFDHK-NSHDSACASA-N 0 1 366.259 3.101 20 70 FGIDMN Cc1cccc2nc(CNC(=O)Nc3ccc(Cn4cccn4)cc3)[nH]c21 ZINC000160353300 495943676 /nfs/dbraw/zinc/94/36/76/495943676.db2.gz UFHJEHYUXIUBDL-UHFFFAOYSA-N 0 1 360.421 3.438 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4c(F)cccc4F)n3)n2)o1 ZINC000160364856 495945743 /nfs/dbraw/zinc/94/57/43/495945743.db2.gz XVYHZGPIGLLQQA-UHFFFAOYSA-N 0 1 370.319 3.089 20 70 FGIDMN COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)[nH]n2)cc1 ZINC000160369566 495947219 /nfs/dbraw/zinc/94/72/19/495947219.db2.gz VDIITINLNMFUJN-UHFFFAOYSA-N 0 1 364.405 3.039 20 70 FGIDMN CCN(c1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cn1)C(C)C ZINC000160390023 495952159 /nfs/dbraw/zinc/95/21/59/495952159.db2.gz JVFPDIKRFBXVDH-UHFFFAOYSA-N 0 1 354.414 3.255 20 70 FGIDMN COc1ccccc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160425703 495960238 /nfs/dbraw/zinc/96/02/38/495960238.db2.gz DUIBLYGMLRZOGT-INIZCTEOSA-N 0 1 374.506 3.331 20 70 FGIDMN Cc1cccc2nc(CNC(=O)c3ccc(NC(=O)C(C)C)cc3)[nH]c21 ZINC000160456580 495966885 /nfs/dbraw/zinc/96/68/85/495966885.db2.gz HKAJVEMFZBGPQL-UHFFFAOYSA-N 0 1 350.422 3.396 20 70 FGIDMN COc1ccccc1[C@H](CNC(=O)C[C@H](C)SC)N1CCCCC1 ZINC000160479016 495972662 /nfs/dbraw/zinc/97/26/62/495972662.db2.gz HFMBLTIOLBKZPX-RDJZCZTQSA-N 0 1 350.528 3.480 20 70 FGIDMN C[C@@H]1CN(C[C@@H]2CCCN2c2cc(Cl)nc(C3CC3)n2)C[C@@H](C)O1 ZINC000160498522 495976070 /nfs/dbraw/zinc/97/60/70/495976070.db2.gz LGJROQVZRGVNQY-NFAWXSAZSA-N 0 1 350.894 3.085 20 70 FGIDMN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(SC)c(OC)c2)cc1 ZINC000161000127 496082013 /nfs/dbraw/zinc/08/20/13/496082013.db2.gz OWGCPYCBUSIEIR-CQSZACIVSA-N 0 1 374.506 3.393 20 70 FGIDMN CCc1cccc(CC(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000161041563 496091634 /nfs/dbraw/zinc/09/16/34/496091634.db2.gz PLGDFUNFVKJAOB-UHFFFAOYSA-N 0 1 351.494 3.178 20 70 FGIDMN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1F ZINC000161116876 496107865 /nfs/dbraw/zinc/10/78/65/496107865.db2.gz QSGNBFBSXYPRJJ-UHFFFAOYSA-N 0 1 365.304 3.376 20 70 FGIDMN CC(=O)NC1CCC(Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000161184525 496122228 /nfs/dbraw/zinc/12/22/28/496122228.db2.gz LJVAHFAURRJSSR-MVYVIFSASA-N 0 1 359.514 3.155 20 70 FGIDMN CCC[C@H]1CN(C(=O)N[C@@H](C)c2cc(C)oc2C)CCN1CCOC ZINC000161220860 496130880 /nfs/dbraw/zinc/13/08/80/496130880.db2.gz HXEVEPJGSZNYLW-RDJZCZTQSA-N 0 1 351.491 3.100 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4c3O[C@@H](C)C(=O)N4)c2C)o1 ZINC000161382611 496164551 /nfs/dbraw/zinc/16/45/51/496164551.db2.gz PWHLCLDBSFWGPG-NSHDSACASA-N 0 1 366.377 3.258 20 70 FGIDMN CCCCn1ncc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1C ZINC000161394021 496167535 /nfs/dbraw/zinc/16/75/35/496167535.db2.gz BSFCBCCGXOUBFB-IBGZPJMESA-N 0 1 358.486 3.033 20 70 FGIDMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)s1 ZINC000161401280 496168908 /nfs/dbraw/zinc/16/89/08/496168908.db2.gz GIIPGJFRMMTRDB-RYUDHWBXSA-N 0 1 367.540 3.334 20 70 FGIDMN CCCC(=O)N1CCC[C@@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1 ZINC000161489373 496185449 /nfs/dbraw/zinc/18/54/49/496185449.db2.gz IUZDUXXMTYRHJK-CQSZACIVSA-N 0 1 358.442 3.264 20 70 FGIDMN COc1cccc([C@H](CNC(=O)[C@H](C)C2CCOCC2)N2CCCC2)c1 ZINC000159465931 495737509 /nfs/dbraw/zinc/73/75/09/495737509.db2.gz JDOONOIBSDCHRO-UZLBHIALSA-N 0 1 360.498 3.011 20 70 FGIDMN CCOc1ccc(Cl)cc1CCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160002913 495860530 /nfs/dbraw/zinc/86/05/30/495860530.db2.gz LOSXILWXEPGLDJ-KRWDZBQOSA-N 0 1 350.821 3.237 20 70 FGIDMN CC(C)N1CCN(C(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)CC1 ZINC000160053946 495873568 /nfs/dbraw/zinc/87/35/68/495873568.db2.gz OHPWOKBKQJCZSC-UHFFFAOYSA-N 0 1 359.514 3.156 20 70 FGIDMN Cc1ccc([C@@H](CNC(=O)c2cncc(OC(C)C)c2)N2CCCC2)o1 ZINC000160131046 495891254 /nfs/dbraw/zinc/89/12/54/495891254.db2.gz HYSCTVPFHVHTEF-GOSISDBHSA-N 0 1 357.454 3.337 20 70 FGIDMN CCCCn1ncc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)c1C ZINC000160177796 495901679 /nfs/dbraw/zinc/90/16/79/495901679.db2.gz YBEAGYQUOCKXCE-UHFFFAOYSA-N 0 1 367.471 3.118 20 70 FGIDMN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000160211892 495910369 /nfs/dbraw/zinc/91/03/69/495910369.db2.gz GNFWBVGBQHRRPN-UHFFFAOYSA-N 0 1 356.850 3.019 20 70 FGIDMN CC(C)C1CCC(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC1 ZINC000160259403 495921425 /nfs/dbraw/zinc/92/14/25/495921425.db2.gz ZJYWJQIEZKUGOH-UHFFFAOYSA-N 0 1 374.529 3.431 20 70 FGIDMN O=C(Nc1ccccc1N1CCC(CO)CC1)c1cc(-c2ccco2)n[nH]1 ZINC000160298870 495929373 /nfs/dbraw/zinc/92/93/73/495929373.db2.gz MYQUPSKUUYWULR-UHFFFAOYSA-N 0 1 366.421 3.131 20 70 FGIDMN CN(Cc1ccc(Br)o1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160307839 495931292 /nfs/dbraw/zinc/93/12/92/495931292.db2.gz GPVOZNZTWDGTMH-UHFFFAOYSA-N 0 1 361.199 3.099 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)n2)o1 ZINC000160384439 495950649 /nfs/dbraw/zinc/95/06/49/495950649.db2.gz MLCKAIOJGSXLRM-UHFFFAOYSA-N 0 1 361.361 3.185 20 70 FGIDMN CC(=O)CCc1ccc(OCC(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000160491871 495975176 /nfs/dbraw/zinc/97/51/76/495975176.db2.gz ODUQTWYHECQGPE-UHFFFAOYSA-N 0 1 365.433 3.088 20 70 FGIDMN CCC[C@@H]1CN(C(=O)Nc2ccc3cnn(CC)c3c2)CCN1CCOC ZINC000160569276 495993771 /nfs/dbraw/zinc/99/37/71/495993771.db2.gz NBQLCHDPMHAZOS-GOSISDBHSA-N 0 1 373.501 3.021 20 70 FGIDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)NCC(F)(F)F ZINC000160597201 496000109 /nfs/dbraw/zinc/00/01/09/496000109.db2.gz QMCAKVUFOZHGOE-JTQLQIEISA-N 0 1 357.401 3.448 20 70 FGIDMN COc1ccc(C(C)(C)C(=O)NCc2nc3cccc(C)c3[nH]2)cc1OC ZINC000160599766 496000886 /nfs/dbraw/zinc/00/08/86/496000886.db2.gz CVQXRKCCJADEDY-UHFFFAOYSA-N 0 1 367.449 3.483 20 70 FGIDMN C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000160661532 496014851 /nfs/dbraw/zinc/01/48/51/496014851.db2.gz MTACIAMWLUULQY-CRAIPNDOSA-N 0 1 352.434 3.430 20 70 FGIDMN COc1ccccc1S(=O)(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000160681962 496018782 /nfs/dbraw/zinc/01/87/82/496018782.db2.gz SJIKNCFTOQENRK-UHFFFAOYSA-N 0 1 359.407 3.320 20 70 FGIDMN CC(C)(C)C1CCC(CC(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000160948811 496073877 /nfs/dbraw/zinc/07/38/77/496073877.db2.gz QKHZIQCZBGBDAK-XBMUEBEBSA-N 0 1 350.547 3.410 20 70 FGIDMN COc1ccc(CNC(=O)CN[C@@H]2CCCOc3cc(C)ccc32)cc1 ZINC000160965100 496075729 /nfs/dbraw/zinc/07/57/29/496075729.db2.gz ZLSOTWOEUFMTCD-LJQANCHMSA-N 0 1 354.450 3.123 20 70 FGIDMN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000161030736 496089318 /nfs/dbraw/zinc/08/93/18/496089318.db2.gz DUAJIYXXWIYFDJ-CYBMUJFWSA-N 0 1 353.827 3.309 20 70 FGIDMN Cc1cc(C[C@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n[nH]1 ZINC000161092375 496101051 /nfs/dbraw/zinc/10/10/51/496101051.db2.gz YSQHSPIQEHNDJP-NSHDSACASA-N 0 1 374.391 3.331 20 70 FGIDMN CC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1c(C)noc1C ZINC000161150596 496114672 /nfs/dbraw/zinc/11/46/72/496114672.db2.gz LWIWBWAZKFLOOA-DLBZAZTESA-N 0 1 362.449 3.484 20 70 FGIDMN O=C(c1csc([C@@H]2CCCO2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000161168863 496119483 /nfs/dbraw/zinc/11/94/83/496119483.db2.gz FPESUZZMELRZEV-SFHVURJKSA-N 0 1 371.506 3.343 20 70 FGIDMN C[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)NCc1ccccc1 ZINC000161209374 496127896 /nfs/dbraw/zinc/12/78/96/496127896.db2.gz LDYPWKVIWNIWTH-ZWKOTPCHSA-N 0 1 362.477 3.287 20 70 FGIDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000161229582 496132277 /nfs/dbraw/zinc/13/22/77/496132277.db2.gz JWIUYMLMBBRSMN-MRVPVSSYSA-N 0 1 356.651 3.495 20 70 FGIDMN Cc1cc(C[C@H](C)NC(=O)CCc2ncc(-c3ccccc3F)o2)n[nH]1 ZINC000161225663 496132349 /nfs/dbraw/zinc/13/23/49/496132349.db2.gz FEBSYWRSMPFMPI-LBPRGKRZSA-N 0 1 356.401 3.192 20 70 FGIDMN Cc1cc(C[C@@H](C)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)n[nH]1 ZINC000161273615 496142413 /nfs/dbraw/zinc/14/24/13/496142413.db2.gz IEGXGPHKVSVRNV-RWBZWWBESA-N 0 1 374.529 3.021 20 70 FGIDMN Brc1ccc2[nH]c(CN3CCCC[C@@H]3c3nnc[nH]3)nc2c1 ZINC000161356361 496158298 /nfs/dbraw/zinc/15/82/98/496158298.db2.gz CRANJLGQXKWKHD-CYBMUJFWSA-N 0 1 361.247 3.171 20 70 FGIDMN Brc1ccc2nc(CN3CCCC[C@@H]3c3nc[nH]n3)[nH]c2c1 ZINC000161356361 496158301 /nfs/dbraw/zinc/15/83/01/496158301.db2.gz CRANJLGQXKWKHD-CYBMUJFWSA-N 0 1 361.247 3.171 20 70 FGIDMN CCC(CC)n1nccc1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000161353919 496158324 /nfs/dbraw/zinc/15/83/24/496158324.db2.gz FZXATYBPLIKAQN-LJQANCHMSA-N 0 1 358.486 3.286 20 70 FGIDMN C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000161370990 496162010 /nfs/dbraw/zinc/16/20/10/496162010.db2.gz GNYYSSFVFXFARN-ARFHVFGLSA-N 0 1 352.906 3.134 20 70 FGIDMN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000161384153 496165262 /nfs/dbraw/zinc/16/52/62/496165262.db2.gz BSFHQPDJAWIQRI-MRXNPFEDSA-N 0 1 368.462 3.306 20 70 FGIDMN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000161384153 496165271 /nfs/dbraw/zinc/16/52/71/496165271.db2.gz BSFHQPDJAWIQRI-MRXNPFEDSA-N 0 1 368.462 3.306 20 70 FGIDMN CCCC(=O)N1CCC(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)CC1 ZINC000161456005 496179059 /nfs/dbraw/zinc/17/90/59/496179059.db2.gz FHFQLSDWVCBLMP-UHFFFAOYSA-N 0 1 358.442 3.264 20 70 FGIDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCc3nc(C)sc32)c1 ZINC000161472330 496182963 /nfs/dbraw/zinc/18/29/63/496182963.db2.gz KENYMYVEVBWYKS-ABAIWWIYSA-N 0 1 365.524 3.088 20 70 FGIDMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(C(F)F)c3)[nH]c21 ZINC000159365841 495717757 /nfs/dbraw/zinc/71/77/57/495717757.db2.gz CRAMCQYDODKDKS-UHFFFAOYSA-N 0 1 358.348 3.064 20 70 FGIDMN COC(=O)C[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccc(SC)cc1 ZINC000159387173 495721594 /nfs/dbraw/zinc/72/15/94/495721594.db2.gz MMCCNIRVHNYRCG-INIZCTEOSA-N 0 1 369.446 3.319 20 70 FGIDMN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc2nc[nH]c21 ZINC000159596981 495766289 /nfs/dbraw/zinc/76/62/89/495766289.db2.gz DLQNZZZUBIEJLC-ROUUACIJSA-N 0 1 351.406 3.498 20 70 FGIDMN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc2nc[nH]c21 ZINC000159596836 495766492 /nfs/dbraw/zinc/76/64/92/495766492.db2.gz DLQNZZZUBIEJLC-ZWKOTPCHSA-N 0 1 351.406 3.498 20 70 FGIDMN C[C@H](CSCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000159603722 495767745 /nfs/dbraw/zinc/76/77/45/495767745.db2.gz YPLRILKMKYORKK-CYBMUJFWSA-N 0 1 353.451 3.375 20 70 FGIDMN O=S(=O)(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c(F)cccc1F ZINC000159794688 495810709 /nfs/dbraw/zinc/81/07/09/495810709.db2.gz KGZZMIYAWCJNPW-CXAGYDPISA-N 0 1 367.417 3.411 20 70 FGIDMN CCOc1cc(CN2CCC(CC(N)=O)CC2)ccc1OCC(F)(F)F ZINC000159797387 495811183 /nfs/dbraw/zinc/81/11/83/495811183.db2.gz LLQOVJFNFWTMQV-UHFFFAOYSA-N 0 1 374.403 3.114 20 70 FGIDMN CCc1nsc(N2CCCN(CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159926091 495842252 /nfs/dbraw/zinc/84/22/52/495842252.db2.gz CTCAUUDFGJRUDH-UHFFFAOYSA-N 0 1 358.511 3.194 20 70 FGIDMN CCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)nc1C ZINC000160042380 495869613 /nfs/dbraw/zinc/86/96/13/495869613.db2.gz OHRSAMWDNCHGCL-UHFFFAOYSA-N 0 1 372.288 3.392 20 70 FGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@H]4C)cc3)n2)o1 ZINC000160201813 495907766 /nfs/dbraw/zinc/90/77/66/495907766.db2.gz FFCPPGLFTFPVJE-QMTHXVAHSA-N 0 1 365.393 3.220 20 70 FGIDMN COc1cccc(-c2cc(C(=O)N(C)c3ccc4c(c3)OCO4)[nH]n2)c1 ZINC000160280942 495926379 /nfs/dbraw/zinc/92/63/79/495926379.db2.gz IBHYARXCQCNFAS-UHFFFAOYSA-N 0 1 351.362 3.091 20 70 FGIDMN 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