smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c2ccccc21 ZINC000218540082 206371807 /nfs/dbraw/zinc/37/18/07/206371807.db2.gz WETRFYAVUBOSGC-UHFFFAOYSA-N 0 0 365.477 3.133 50 70 FGIARN COc1ccc(C2(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000217136343 206363296 /nfs/dbraw/zinc/36/32/96/206363296.db2.gz LYELRRQMLBTGDE-HXUWFJFHSA-N 0 0 350.462 3.242 50 70 FGIARN O=C(c1sccc1Cl)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217216368 206363476 /nfs/dbraw/zinc/36/34/76/206363476.db2.gz AVMODRUNAPIVDF-INIZCTEOSA-N 0 0 373.865 3.336 50 70 FGIARN CCOc1ccc2ccccc2c1C(=O)N1CC[C@H](SCC(=O)OC)C1 ZINC000217563344 206364090 /nfs/dbraw/zinc/36/40/90/206364090.db2.gz JMVMTNKCPWPKGG-HNNXBMFYSA-N 0 0 373.474 3.359 50 70 FGIARN CCNC(=O)N1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000218102918 206367000 /nfs/dbraw/zinc/36/70/00/206367000.db2.gz YXVNYRXGAZCWEX-UHFFFAOYSA-N 0 0 363.889 3.072 50 70 FGIARN Cc1ccccc1OC[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 ZINC000217142538 496994648 /nfs/dbraw/zinc/99/46/48/496994648.db2.gz SKAGKBZVNJSKBP-KRWDZBQOSA-N 0 0 368.481 3.244 50 70 FGIARN CC(C)c1nnsc1CN1CCCn2nc([C@H](O)C3CCC3)cc2C1 ZINC000218121310 519899143 /nfs/dbraw/zinc/89/91/43/519899143.db2.gz JBKQWFVZRYXLTQ-GOSISDBHSA-N 0 0 361.515 3.097 50 70 FGIARN CN1C(=O)C[C@H](CNC(=O)c2cc(-c3ccsc3)n[nH]2)c2ccccc21 ZINC000217705628 523709108 /nfs/dbraw/zinc/70/91/08/523709108.db2.gz SKIVJBHXWBDBQR-CYBMUJFWSA-N 0 0 366.446 3.018 50 70 FGIARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000218284382 526292943 /nfs/dbraw/zinc/29/29/43/526292943.db2.gz LMQFCQPFFKGXFR-UHFFFAOYSA-N 0 0 352.442 3.117 50 70 FGIARN O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccccc1SC(F)F ZINC000217583741 526576679 /nfs/dbraw/zinc/57/66/79/526576679.db2.gz LDVMQTBHBNZIQJ-AWEZNQCLSA-N 0 0 365.401 3.400 50 70 FGIARN CCOc1ccc2ccccc2c1C(=O)N1CC[C@@H](SCC(=O)OC)C1 ZINC000217563426 206364949 /nfs/dbraw/zinc/36/49/49/206364949.db2.gz JMVMTNKCPWPKGG-OAHLLOKOSA-N 0 0 373.474 3.359 50 70 FGIARN Cc1cc(C(=O)NCc2cnc3ccccc3c2)ccc1N1CCOCC1 ZINC000217202207 132272096 /nfs/dbraw/zinc/27/20/96/132272096.db2.gz RKXZQNROLQIMPU-UHFFFAOYSA-N 0 0 361.445 3.310 50 70 FGIARN CC[C@@H](C(=O)NCCc1c(C)n[nH]c1C)n1cc(C(C)=O)c2ccccc21 ZINC000217090878 496994561 /nfs/dbraw/zinc/99/45/61/496994561.db2.gz KGRFQENBZLGFHP-IBGZPJMESA-N 0 0 366.465 3.494 50 70 FGIARN CCCCc1cc(=O)oc2cc(OCC(=O)NCCn3cccc3)ccc12 ZINC000218004039 521259247 /nfs/dbraw/zinc/25/92/47/521259247.db2.gz YVUNVXJRUBWIOX-UHFFFAOYSA-N 0 0 368.433 3.132 50 70 FGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccccc1OC ZINC000218319623 522076419 /nfs/dbraw/zinc/07/64/19/522076419.db2.gz PGZMJGYNJUQYCT-HNNXBMFYSA-N 0 0 367.449 3.111 50 70 FGIARN C[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000216948884 526185063 /nfs/dbraw/zinc/18/50/63/526185063.db2.gz GFVNLJKUGAPVIJ-OAHLLOKOSA-N 0 0 371.506 3.144 50 70 FGIARN O=C(CCc1cccs1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217199995 526623080 /nfs/dbraw/zinc/62/30/80/526623080.db2.gz VVOUZXFZOVKURZ-FQEVSTJZSA-N 0 0 367.474 3.001 50 70 FGIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000217538681 527219189 /nfs/dbraw/zinc/21/91/89/527219189.db2.gz FNWRXKLORNKNII-ZDUSSCGKSA-N 0 0 365.398 3.169 50 70 FGIARN O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1 ZINC000217858673 571351188 /nfs/dbraw/zinc/35/11/88/571351188.db2.gz ANLNTIJFYODUHV-KRWDZBQOSA-N 0 0 364.898 3.428 50 70 FGIARN COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCC2)c1 ZINC000218604702 206371275 /nfs/dbraw/zinc/37/12/75/206371275.db2.gz FBELFFMIXVVPER-OAHLLOKOSA-N 0 0 374.466 3.089 50 70 FGIARN CNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C1 ZINC000218604880 206372178 /nfs/dbraw/zinc/37/21/78/206372178.db2.gz HAYLPUBJQQMGGJ-FQEVSTJZSA-N 0 0 350.462 3.271 50 70 FGIARN COc1ccc(F)c(F)c1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000218748351 206373290 /nfs/dbraw/zinc/37/32/90/206373290.db2.gz NYGTVLMXVVGODO-AWEZNQCLSA-N 0 0 362.376 3.190 50 70 FGIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCc2ccccc2O1)CC3 ZINC000217889066 206366311 /nfs/dbraw/zinc/36/63/11/206366311.db2.gz RCKFJYKLJNQCKN-OAQYLSRUSA-N 0 0 362.429 3.455 50 70 FGIARN Clc1ncn(Cc2nn3c(nnc3-c3ccsc3)s2)c1Cl ZINC000218364689 206369635 /nfs/dbraw/zinc/36/96/35/206369635.db2.gz VXPOPUXJDHTPHN-UHFFFAOYSA-N 0 0 357.251 3.466 50 70 FGIARN O=C(CCNC(=O)c1ccccc1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000217164526 263459357 /nfs/dbraw/zinc/45/93/57/263459357.db2.gz GZISHVNLGQPWPA-QGZVFWFLSA-N 0 0 354.425 3.352 50 70 FGIARN CCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1 ZINC000217668344 521684384 /nfs/dbraw/zinc/68/43/84/521684384.db2.gz OQJUXCHBUIRKDQ-SFHVURJKSA-N 0 0 373.478 3.211 50 70 FGIARN COc1ccccc1CCNC(=O)c1sc(-c2ccncc2)nc1C ZINC000218397525 524420332 /nfs/dbraw/zinc/42/03/32/524420332.db2.gz DQZDFFHTRGREQC-UHFFFAOYSA-N 0 0 353.447 3.495 50 70 FGIARN Cc1ccc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)s1 ZINC000218210584 524494280 /nfs/dbraw/zinc/49/42/80/524494280.db2.gz CLFNRLGAUBGBBK-UHFFFAOYSA-N 0 0 363.504 3.198 50 70 FGIARN O=C(NCCc1noc(C2CCCC2)n1)c1ccccc1N1CCCC1 ZINC000217208642 526466600 /nfs/dbraw/zinc/46/66/00/526466600.db2.gz FCXCLUKWCSXPIL-UHFFFAOYSA-N 0 0 354.454 3.300 50 70 FGIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1cc(=O)c2ccccc2o1 ZINC000217886058 526469317 /nfs/dbraw/zinc/46/93/17/526469317.db2.gz GFFFUTSRFGVGAI-UHFFFAOYSA-N 0 0 365.414 3.148 50 70 FGIARN C[C@@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)c1ccc(-n2cncn2)cc1 ZINC000218628729 206372653 /nfs/dbraw/zinc/37/26/53/206372653.db2.gz ZHAJWIQBWHSFMA-GFCCVEGCSA-N 0 0 364.434 3.210 50 70 FGIARN COc1ccc(C2(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000217136352 206362394 /nfs/dbraw/zinc/36/23/94/206362394.db2.gz LYELRRQMLBTGDE-FQEVSTJZSA-N 0 0 350.462 3.242 50 70 FGIARN CN(C[C@H]1COCCO1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000217739619 206365586 /nfs/dbraw/zinc/36/55/86/206365586.db2.gz SDANXTJLHSQQNG-HNNXBMFYSA-N 0 0 363.498 3.475 50 70 FGIARN CC(C)C[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C ZINC000218381121 519381944 /nfs/dbraw/zinc/38/19/44/519381944.db2.gz KTLJVAFFQANUSP-KRWDZBQOSA-N 0 0 353.470 3.454 50 70 FGIARN CN(Cc1cc[nH]n1)C(=O)c1cccnc1SCCc1ccccc1 ZINC000217550085 523193670 /nfs/dbraw/zinc/19/36/70/523193670.db2.gz WKQUACYBNNQINC-UHFFFAOYSA-N 0 0 352.463 3.412 50 70 FGIARN COc1ccc(Br)c(C(=O)NCC[C@@H](O)c2ccsc2)c1 ZINC000217533273 523479216 /nfs/dbraw/zinc/47/92/16/523479216.db2.gz YIZFUQVPMJMEPP-CQSZACIVSA-N 0 0 370.268 3.373 50 70 FGIARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2c1cccc2Cl ZINC000218339181 523910134 /nfs/dbraw/zinc/91/01/34/523910134.db2.gz SEWQCTQXVAOBFM-KRWDZBQOSA-N 0 0 370.836 3.195 50 70 FGIARN C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2s1 ZINC000217501877 525773885 /nfs/dbraw/zinc/77/38/85/525773885.db2.gz GUTDIIFMOKNLTF-LJQANCHMSA-N 0 0 355.415 3.268 50 70 FGIARN Cc1nn(CCC(=O)NC2CCN(c3cccc(C)c3)CC2)c(C)c1C ZINC000218126651 526278101 /nfs/dbraw/zinc/27/81/01/526278101.db2.gz BJTWQUBPLFGRLD-UHFFFAOYSA-N 0 0 354.498 3.292 50 70 FGIARN Cc1nc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cs1 ZINC000217902057 526638133 /nfs/dbraw/zinc/63/81/33/526638133.db2.gz DCWYUDZCNBVLGK-UHFFFAOYSA-N 0 0 356.451 3.109 50 70 FGIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000217537894 527219289 /nfs/dbraw/zinc/21/92/89/527219289.db2.gz BGKAXXOUCQLUIA-KRWDZBQOSA-N 0 0 351.493 3.029 50 70 FGIARN Cc1ccc2[nH]c([C@@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C(C)C)nc2c1 ZINC000217040381 206362868 /nfs/dbraw/zinc/36/28/68/206362868.db2.gz YIDWEPKWKWZGJY-SFHVURJKSA-N 0 0 364.449 3.175 50 70 FGIARN COc1ccc2c(c1)ncc(C(=O)Nc1cccc(NC(C)=O)c1)c2O ZINC000218200626 206368174 /nfs/dbraw/zinc/36/81/74/206368174.db2.gz DXBZWQWPAUPYPW-UHFFFAOYSA-N 0 0 351.362 3.160 50 70 FGIARN O=C(c1cnc2ccc(F)cc2c1O)N1CCN(Cc2ccccc2)CC1 ZINC000218386959 206370856 /nfs/dbraw/zinc/37/08/56/206370856.db2.gz PZUZYZWQBCTCEX-UHFFFAOYSA-N 0 0 365.408 3.038 50 70 FGIARN O=C(c1ccccc1N1CCOCC1)N1CCCC[C@@H]1c1nccs1 ZINC000218640495 132273162 /nfs/dbraw/zinc/27/31/62/132273162.db2.gz BHTQRQCHNOZDGX-QGZVFWFLSA-N 0 0 357.479 3.347 50 70 FGIARN CCN(Cc1noc(C2CCC2)n1)C(=O)Cc1cn(C)c2ccccc12 ZINC000218062773 521466695 /nfs/dbraw/zinc/46/66/95/521466695.db2.gz UOAHIAGXIYJONR-UHFFFAOYSA-N 0 0 352.438 3.420 50 70 FGIARN COc1ccc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)c(OC)c1 ZINC000218265841 524030419 /nfs/dbraw/zinc/03/04/19/524030419.db2.gz QBQASYHXFKXXNL-OAQYLSRUSA-N 0 0 371.481 3.140 50 70 FGIARN C[C@H](NC(=O)c1ccccc1OC(F)F)c1nncn1C1CCCC1 ZINC000218098315 525240287 /nfs/dbraw/zinc/24/02/87/525240287.db2.gz GKZSOHZKERHBDE-NSHDSACASA-N 0 0 350.369 3.486 50 70 FGIARN O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1cccc(-c2ccco2)c1 ZINC000218247730 526865172 /nfs/dbraw/zinc/86/51/72/526865172.db2.gz DLHHTPPNZBOSTH-MHJFOBGBSA-N 0 0 362.429 3.454 50 70 FGIARN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2nc(C3CC3)no2)C1 ZINC000161069470 206341234 /nfs/dbraw/zinc/34/12/34/206341234.db2.gz YYDBVUNFHYWCLR-ZIAGYGMSSA-N 0 0 353.344 3.274 50 70 FGIARN Cc1scnc1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000217192493 206362387 /nfs/dbraw/zinc/36/23/87/206362387.db2.gz WIZPNZQNIIRZAE-LJQANCHMSA-N 0 0 354.479 3.136 50 70 FGIARN C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)N1CCc2ccccc21 ZINC000160576313 495995911 /nfs/dbraw/zinc/99/59/11/495995911.db2.gz TZDLHGHYVIQUAP-LBPRGKRZSA-N 0 0 367.375 3.018 50 70 FGIARN Cc1cc2c(c(=O)o1)[C@@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2 ZINC000218028820 497000575 /nfs/dbraw/zinc/00/05/75/497000575.db2.gz NCGSSRUHZXKIKQ-SNVBAGLBSA-N 0 0 358.733 3.149 50 70 FGIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCn1ccc2ccccc21 ZINC000217669258 519749629 /nfs/dbraw/zinc/74/96/29/519749629.db2.gz UUHKFFBYTXKQPM-UHFFFAOYSA-N 0 0 374.444 3.371 50 70 FGIARN Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2ccc3ccccc32)n1 ZINC000218587964 524205649 /nfs/dbraw/zinc/20/56/49/524205649.db2.gz QEZMCOACYHDUAT-UHFFFAOYSA-N 0 0 362.355 3.117 50 70 FGIARN Cc1nn(C)cc1[C@@H](C)NC(=O)CCCc1nc(-c2ccccc2C)no1 ZINC000218341330 527695291 /nfs/dbraw/zinc/69/52/91/527695291.db2.gz KPNSLCVYYUWGNM-CQSZACIVSA-N 0 0 367.453 3.287 50 70 FGIARN Cc1cc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)n1C ZINC000217776467 571350631 /nfs/dbraw/zinc/35/06/31/571350631.db2.gz WPSGHRQLFHOGOO-UHFFFAOYSA-N 0 0 366.870 3.092 50 70 FGIARN COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c2[nH]snc-2ccc1=O ZINC000218545838 206372509 /nfs/dbraw/zinc/37/25/09/206372509.db2.gz DMTSZYYCLYOQCL-VIFPVBQESA-N 0 0 364.810 3.451 50 70 FGIARN O=C(c1nnn(Cc2ccccc2)c1-n1cccc1)N1CCc2ccccc21 ZINC000217472181 206362423 /nfs/dbraw/zinc/36/24/23/206362423.db2.gz FEDPDACQSBFPEE-UHFFFAOYSA-N 0 0 369.428 3.320 50 70 FGIARN O=C(N1CCOc2ccc(CO)cc2C1)C1(c2ccccc2)CCCC1 ZINC000218108242 206366822 /nfs/dbraw/zinc/36/68/22/206366822.db2.gz UMPKSRLFVFTHAO-UHFFFAOYSA-N 0 0 351.446 3.412 50 70 FGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccccc2)on1 ZINC000218219892 206368667 /nfs/dbraw/zinc/36/86/67/206368667.db2.gz KDNQAHPESJEPNF-UHFFFAOYSA-N 0 0 352.394 3.217 50 70 FGIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 ZINC000218514163 206369878 /nfs/dbraw/zinc/36/98/78/206369878.db2.gz PBQITVJUKPEHII-GUYCJALGSA-N 0 0 356.470 3.023 50 70 FGIARN [O-]c1c([C@H](c2cccc(OC(F)F)c2)[NH+]2CCCC2)sc2ncnn12 ZINC000218491029 206370393 /nfs/dbraw/zinc/37/03/93/206370393.db2.gz ZJCREQBRAFMDKA-LBPRGKRZSA-N 0 0 366.393 3.283 50 70 FGIARN Cc1scc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)c1-c1ccccc1 ZINC000218436813 206370704 /nfs/dbraw/zinc/37/07/04/206370704.db2.gz PHLHBEYNUWJMBM-LJQANCHMSA-N 0 0 356.447 3.390 50 70 FGIARN CCCCSCc1cc(C(=O)N2CCN(c3cnccn3)CC2)oc1C ZINC000217083873 496994668 /nfs/dbraw/zinc/99/46/68/496994668.db2.gz PKMXZOQQOWTNDJ-UHFFFAOYSA-N 0 0 374.510 3.374 50 70 FGIARN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1 ZINC000218327863 523736799 /nfs/dbraw/zinc/73/67/99/523736799.db2.gz MIEWREHEZWBMPZ-MYKUNDNFSA-N 0 0 367.445 3.181 50 70 FGIARN Cc1cc2c(ncnc2N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)s1 ZINC000218041450 525625545 /nfs/dbraw/zinc/62/55/45/525625545.db2.gz LKKQLBMVGLNYIG-HZPDHXFCSA-N 0 0 374.466 3.391 50 70 FGIARN 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Cc1ccc2occ([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1 ZINC000217922309 497000093 /nfs/dbraw/zinc/00/00/93/497000093.db2.gz VDSIHKPUILSUND-LLVKDONJSA-N 0 0 350.326 3.271 50 70 FGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1c(F)cccc1Cl ZINC000218007498 497000238 /nfs/dbraw/zinc/00/02/38/497000238.db2.gz VBOMTHSNGDHQID-LJQANCHMSA-N 0 0 363.816 3.442 50 70 FGIARN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c1=O ZINC000217947860 497000257 /nfs/dbraw/zinc/00/02/57/497000257.db2.gz DLZKFUCDHCYVQK-CQSZACIVSA-N 0 0 373.364 3.086 50 70 FGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(Cl)s1 ZINC000218007118 497000480 /nfs/dbraw/zinc/00/04/80/497000480.db2.gz GKJOCFATXIWOGB-QGZVFWFLSA-N 0 0 351.855 3.364 50 70 FGIARN C[C@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)c1ccc(-n2cncn2)cc1 ZINC000218628822 497003256 /nfs/dbraw/zinc/00/32/56/497003256.db2.gz ZHAJWIQBWHSFMA-LBPRGKRZSA-N 0 0 364.434 3.210 50 70 FGIARN O=C(N[C@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000218629589 497003321 /nfs/dbraw/zinc/00/33/21/497003321.db2.gz JAWMDEVTCGTTEZ-NMLBUPMWSA-N 0 0 351.450 3.196 50 70 FGIARN COC(=O)[C@H](C)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000218137670 523881317 /nfs/dbraw/zinc/88/13/17/523881317.db2.gz UZISCIBKLFZHCI-GXFFZTMASA-N 0 0 374.264 3.183 50 70 FGIARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1ccc2c1cccc2C ZINC000218166183 523910067 /nfs/dbraw/zinc/91/00/67/523910067.db2.gz VIAZPOSBZHAWJW-IBGZPJMESA-N 0 0 364.445 3.240 50 70 FGIARN Cc1ccc(C2(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)CC2)cc1 ZINC000218476624 524225350 /nfs/dbraw/zinc/22/53/50/524225350.db2.gz VRXKRPVBAGVJBP-UHFFFAOYSA-N 0 0 366.436 3.037 50 70 FGIARN Cc1cc(C)nc(NCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000218128164 524589204 /nfs/dbraw/zinc/58/92/04/524589204.db2.gz HDRUHHMSTLTURA-UHFFFAOYSA-N 0 0 361.449 3.303 50 70 FGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)n1 ZINC000218150780 524591370 /nfs/dbraw/zinc/59/13/70/524591370.db2.gz VNLJNDBEEQKUOU-FQEVSTJZSA-N 0 0 360.461 3.433 50 70 FGIARN CSCC[C@@H](CO)NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000218318826 525536766 /nfs/dbraw/zinc/53/67/66/525536766.db2.gz FOYKQFQXJVRAEC-JTQLQIEISA-N 0 0 374.293 3.227 50 70 FGIARN O=C(CC1(n2cccc2)CCOCC1)NCCc1c[nH]c2ccc(F)cc12 ZINC000218192549 526336383 /nfs/dbraw/zinc/33/63/83/526336383.db2.gz NTTNFRFRYLQDFG-UHFFFAOYSA-N 0 0 369.440 3.363 50 70 FGIARN O=C(NCCn1ccc(-c2ccsc2)n1)Nc1ccc2c(c1)OCO2 ZINC000217890145 526468826 /nfs/dbraw/zinc/46/88/26/526468826.db2.gz MDDULUVUEJFWBG-UHFFFAOYSA-N 0 0 356.407 3.162 50 70 FGIARN O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(=O)oc3ccccc3c2O1 ZINC000217777585 571350635 /nfs/dbraw/zinc/35/06/35/571350635.db2.gz VWSTXIIRZAPSAI-CYBMUJFWSA-N 0 0 359.337 3.076 50 70 FGIARN COC(=O)CS[C@@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 ZINC000217557060 222672256 /nfs/dbraw/zinc/67/22/56/222672256.db2.gz RDXZBKKZLFUTCT-CYBMUJFWSA-N 0 0 353.509 3.067 50 70 FGIARN O=C(NCc1nnc2ccccn21)c1cc(-n2cccc2)ccc1Cl ZINC000218450863 222681247 /nfs/dbraw/zinc/68/12/47/222681247.db2.gz 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COC(=O)c1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000217747318 571350314 /nfs/dbraw/zinc/35/03/14/571350314.db2.gz VJPLQNMLVVLVIE-AWEZNQCLSA-N 0 0 350.326 3.021 50 70 FGIARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000218286190 222679846 /nfs/dbraw/zinc/67/98/46/222679846.db2.gz KDNTXWYAMUPSGR-AXHNFQJDSA-N 0 0 370.836 3.139 50 70 FGIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c(s1)CCCC3)C2 ZINC000217180791 496996104 /nfs/dbraw/zinc/99/61/04/496996104.db2.gz LBDLARWABICMCO-INIZCTEOSA-N 0 0 359.495 3.313 50 70 FGIARN O=C(CCCc1nnc2ccc(Cl)nn21)Nc1ccc2[nH]ccc2c1 ZINC000218234038 497000995 /nfs/dbraw/zinc/00/09/95/497000995.db2.gz BSLWXYWPUUAVTH-UHFFFAOYSA-N 0 0 354.801 3.220 50 70 FGIARN COCCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)c1=O ZINC000218290621 497001321 /nfs/dbraw/zinc/00/13/21/497001321.db2.gz MYAYRYHGMPGALV-UHFFFAOYSA-N 0 0 353.422 3.235 50 70 FGIARN C[C@H](NC(=O)c1cnc2ccc(Cl)cc2c1O)c1nnc2ccccn21 ZINC000218387740 497001903 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O=C(COCc1nc2cc(F)ccc2[nH]1)NCc1ccc2ccccc2n1 ZINC000217869408 526942410 /nfs/dbraw/zinc/94/24/10/526942410.db2.gz AGLIZOUHLAFVLT-UHFFFAOYSA-N 0 0 364.380 3.083 50 70 FGIARN O=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@H](c2cccs2)C1 ZINC000159931096 495843986 /nfs/dbraw/zinc/84/39/86/495843986.db2.gz MOEXOVFYPAWLNN-INIZCTEOSA-N 0 0 373.478 3.215 50 70 FGIARN O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCN(c2ccccn2)C1 ZINC000161257741 496139226 /nfs/dbraw/zinc/13/92/26/496139226.db2.gz PPFJDGHIKCYERD-LBPRGKRZSA-N 0 0 372.479 3.062 50 70 FGIARN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC(c2ccncc2)CC1 ZINC000216950065 496992901 /nfs/dbraw/zinc/99/29/01/496992901.db2.gz BLCVZYSXJXQNIZ-UHFFFAOYSA-N 0 0 351.381 3.082 50 70 FGIARN COC(=O)CS[C@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 ZINC000217557156 496998598 /nfs/dbraw/zinc/99/85/98/496998598.db2.gz RDXZBKKZLFUTCT-ZDUSSCGKSA-N 0 0 353.509 3.067 50 70 FGIARN COc1cccc2c(O)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)cnc12 ZINC000218142295 497000719 /nfs/dbraw/zinc/00/07/19/497000719.db2.gz 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