smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000004844485 204081777 /nfs/dbraw/zinc/08/17/77/204081777.db2.gz CEQZRSKXBIDCRV-OAQYLSRUSA-N 0 1 392.499 4.439 50 30 GIEAMN C=CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OCC ZINC000004690159 204064815 /nfs/dbraw/zinc/06/48/15/204064815.db2.gz PVBCTRTXWZEEBF-KGENOOAVSA-N 0 1 380.473 4.453 50 30 GIEAMN C/C(=N\N=C1/NC(=O)C(Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 ZINC000005214331 204119435 /nfs/dbraw/zinc/11/94/35/204119435.db2.gz UEFSTJZORAACHQ-CNPYVQQSSA-N 0 1 375.856 4.033 50 30 GIEAMN CC(C)c1ccc(OCC(=O)ONC(=N)Cc2cccc3ccccc32)cc1 ZINC000004819736 519838097 /nfs/dbraw/zinc/83/80/97/519838097.db2.gz BXTKZZMTYQWALW-UHFFFAOYSA-N 0 1 376.456 4.400 50 30 GIEAMN CCOc1ccc(-c2csc(C(=O)OC)c2/N=C/N(C)C)cc1OCC ZINC000100025592 520813519 /nfs/dbraw/zinc/81/35/19/520813519.db2.gz PLKWMNOCDRWBMN-UDWIEESQSA-N 0 1 376.478 4.221 50 30 GIEAMN CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019771360 520883693 /nfs/dbraw/zinc/88/36/93/520883693.db2.gz IEFBPLMVUXKBJU-JJIBRWJFSA-N 0 1 384.955 4.338 50 30 GIEAMN CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000095471661 520896199 /nfs/dbraw/zinc/89/61/99/520896199.db2.gz IJPWHHSNVWXTKV-WLDAGKKMSA-N 0 1 381.501 4.329 50 30 GIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000016810025 523422924 /nfs/dbraw/zinc/42/29/24/523422924.db2.gz JVALZDFTUNMDKF-MNAFEPAFSA-N 0 1 379.456 4.391 50 30 GIEAMN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000016810038 524321842 /nfs/dbraw/zinc/32/18/42/524321842.db2.gz UTLQYUVEBNXDPN-OFNOZLENSA-N 0 1 379.456 4.249 50 30 GIEAMN Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(C#CCCO)cc2)[nH]n1 ZINC000067948076 524922610 /nfs/dbraw/zinc/92/26/10/524922610.db2.gz QTPASDNZGWQXAC-UHFFFAOYSA-N 0 1 382.467 4.031 50 30 GIEAMN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000016810037 525768967 /nfs/dbraw/zinc/76/89/67/525768967.db2.gz RRCYXZJIYIGMAU-RANIVTSPSA-N 0 1 379.456 4.249 50 30 GIEAMN Cc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000004312457 525985318 /nfs/dbraw/zinc/98/53/18/525985318.db2.gz LZDRGXYJOLPOBX-IBGZPJMESA-N 0 1 390.464 4.230 50 30 GIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 ZINC000006382911 526269289 /nfs/dbraw/zinc/26/92/89/526269289.db2.gz LGBNBYXWJIQLFJ-QGZVFWFLSA-N 0 1 383.400 4.259 50 30 GIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1 ZINC000005491258 526269405 /nfs/dbraw/zinc/26/94/05/526269405.db2.gz LGBNBYXWJIQLFJ-KRWDZBQOSA-N 0 1 383.400 4.259 50 30 GIEAMN N#CC(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000071843992 526506956 /nfs/dbraw/zinc/50/69/56/526506956.db2.gz YKCXERGUPYYVBO-SOUVJXGZSA-N 0 1 388.393 4.003 50 30 GIEAMN C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000001006352 570251441 /nfs/dbraw/zinc/25/14/41/570251441.db2.gz GWLWQRRMIMIZSS-ACNPPRPFSA-N 0 1 380.488 4.134 50 30 GIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1Br ZINC000001239311 570259739 /nfs/dbraw/zinc/25/97/39/570259739.db2.gz RVWKGDGMFLTYJH-VCHYOVAHSA-N 0 1 389.278 4.261 50 30 GIEAMN CC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(F)cc1 ZINC000244811773 570434034 /nfs/dbraw/zinc/43/40/34/570434034.db2.gz SKZAEPYYNKXXRD-VABKMULXSA-N 0 1 381.447 4.224 50 30 GIEAMN OC1=C[C@@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2c3ccccc3ccc21 ZINC000003097153 570503175 /nfs/dbraw/zinc/50/31/75/570503175.db2.gz ZKMCPEZTLVCGCX-ZDUSSCGKSA-N 0 1 398.230 4.258 50 30 GIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CC=C)cc1 ZINC000002705537 570505997 /nfs/dbraw/zinc/50/59/97/570505997.db2.gz SPCYXEXHAGYYJS-GOSISDBHSA-N 0 1 381.453 4.077 50 30 GIEAMN COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000000953492 570737095 /nfs/dbraw/zinc/73/70/95/570737095.db2.gz ZZLALGCKIJDOJV-UHFFFAOYSA-N 0 1 380.425 4.160 50 30 GIEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21 ZINC000001024784 570747316 /nfs/dbraw/zinc/74/73/16/570747316.db2.gz NSBRKSWSLRQPJW-LYZACZEUSA-N 0 1 396.487 4.354 50 30 GIEAMN CCCCNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828702 570842180 /nfs/dbraw/zinc/84/21/80/570842180.db2.gz UVOAEKQOYPVFRK-SFHVURJKSA-N 0 1 398.463 4.019 50 30 GIEAMN CC[C@H]1CCc2sc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)cc2C1 ZINC000007779922 571037241 /nfs/dbraw/zinc/03/72/41/571037241.db2.gz ZTANFLFFKPNQJN-JSGCOSHPSA-N 0 1 388.514 4.061 50 30 GIEAMN CC[C@H]1CCc2sc(C(=O)OCC(=O)C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779922 571037245 /nfs/dbraw/zinc/03/72/45/571037245.db2.gz ZTANFLFFKPNQJN-JSGCOSHPSA-N 0 1 388.514 4.061 50 30 GIEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@H]1c1ccccc1F ZINC000004809744 571042938 /nfs/dbraw/zinc/04/29/38/571042938.db2.gz AXPJUZKDSXDZEO-OAQYLSRUSA-N 0 1 377.419 4.269 50 30 GIEAMN CC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002321306 817384421 /nfs/dbraw/zinc/38/44/21/817384421.db2.gz XXUNRUDGXWNTFM-VEUNDLRXSA-N 0 1 375.856 4.333 50 30 GIEAMN CCc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Br)cc1 ZINC000004749820 204073046 /nfs/dbraw/zinc/07/30/46/204073046.db2.gz OYIOOVFFXANCPC-CIAFOILYSA-N 0 1 397.276 4.003 50 30 GIEAMN CCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O ZINC000004903691 204088372 /nfs/dbraw/zinc/08/83/72/204088372.db2.gz BCOVJYVGRXAORU-NAZSODNNSA-N 0 1 394.544 4.387 50 30 GIEAMN CCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O ZINC000004903706 204088858 /nfs/dbraw/zinc/08/88/58/204088858.db2.gz BCOVJYVGRXAORU-PEHOWQFQSA-N 0 1 394.544 4.387 50 30 GIEAMN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1CC(C)C ZINC000004625815 204058359 /nfs/dbraw/zinc/05/83/59/204058359.db2.gz KGKMHEFDHWGNDS-UHFFFAOYSA-N 0 1 388.562 4.459 50 30 GIEAMN C=CC[C@@H]1C=CC[C@H](CC=C)[N@@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000005188482 204117637 /nfs/dbraw/zinc/11/76/37/204117637.db2.gz SBHWYMPHTLLVGA-AGIUHOORSA-N 0 1 375.328 4.332 50 30 GIEAMN C=CC[C@@H]1C=CC[C@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000005188482 204117641 /nfs/dbraw/zinc/11/76/41/204117641.db2.gz SBHWYMPHTLLVGA-AGIUHOORSA-N 0 1 375.328 4.332 50 30 GIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000005045100 204106354 /nfs/dbraw/zinc/10/63/54/204106354.db2.gz WWMUVBBCAWMQCP-SFHVURJKSA-N 0 1 385.485 4.096 50 30 GIEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Br)c1 ZINC000006102789 204166234 /nfs/dbraw/zinc/16/62/34/204166234.db2.gz AABYTNPBQJJJLW-GIJQJNRQSA-N 0 1 377.242 4.391 50 30 GIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 ZINC000005490600 204135447 /nfs/dbraw/zinc/13/54/47/204135447.db2.gz FZXZTJRJSFOOCG-JOCHJYFZSA-N 0 1 398.462 4.211 50 30 GIEAMN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)n1 ZINC000006813374 204211191 /nfs/dbraw/zinc/21/11/91/204211191.db2.gz FUDBLPJQNFDYPI-GOSISDBHSA-N 0 1 394.427 4.374 50 30 GIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000007995197 204258521 /nfs/dbraw/zinc/25/85/21/204258521.db2.gz KXANNJMOIULRRP-UHFFFAOYSA-N 0 1 396.859 4.105 50 30 GIEAMN C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000012062597 519026035 /nfs/dbraw/zinc/02/60/35/519026035.db2.gz NXHKQVQWPOYGCF-QHCPKHFHSA-N 0 1 394.515 4.217 50 30 GIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019884417 519840228 /nfs/dbraw/zinc/84/02/28/519840228.db2.gz JAPUFXWPQOLQJE-IBGZPJMESA-N 0 1 398.528 4.011 50 30 GIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2OC)c(O)c1 ZINC000005643993 520885150 /nfs/dbraw/zinc/88/51/50/520885150.db2.gz FPETXKMUZIUTKS-FYJGNVAPSA-N 0 1 397.504 4.050 50 30 GIEAMN CCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000095471662 521256399 /nfs/dbraw/zinc/25/63/99/521256399.db2.gz MPWWYKIJELSXPI-YGAJUMRDSA-N 0 1 399.491 4.469 50 30 GIEAMN COc1ccc(-c2n[nH]c(NC(=O)CSCc3ccc(C)cc3)n2)c(OC)c1 ZINC000058062530 523173643 /nfs/dbraw/zinc/17/36/43/523173643.db2.gz HJERTQXDAOKBCL-UHFFFAOYSA-N 0 1 398.488 4.319 50 30 GIEAMN Cc1cccc(CC2S/C(=N/c3ccc(Br)cc3)NC2=O)c1 ZINC000013477835 524470475 /nfs/dbraw/zinc/47/04/75/524470475.db2.gz KKGUJSQIPFKPKN-OAHLLOKOSA-N 0 1 375.291 4.219 50 30 GIEAMN Cc1ccccc1/N=C1/NC(=O)C(Cc2ccc(Br)cc2)S1 ZINC000013477819 525040914 /nfs/dbraw/zinc/04/09/14/525040914.db2.gz MYYFNSIMJPBFTJ-OAHLLOKOSA-N 0 1 375.291 4.219 50 30 GIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102886141 525045965 /nfs/dbraw/zinc/04/59/65/525045965.db2.gz IIIZRFIYYUIZJQ-LFVOPCPISA-N 0 1 392.386 4.057 50 30 GIEAMN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009348906 525393677 /nfs/dbraw/zinc/39/36/77/525393677.db2.gz JIMRNSVFPBQRSP-FATZIPQQSA-N 0 1 376.456 4.468 50 30 biogenic,in-vitro GIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000017145996 526271859 /nfs/dbraw/zinc/27/18/59/526271859.db2.gz STBKEAFJLBFCFD-INIZCTEOSA-N 0 1 380.400 4.065 50 30 GIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000018067854 526272327 /nfs/dbraw/zinc/27/23/27/526272327.db2.gz SDNFUEXEZGDVKV-CQSZACIVSA-N 0 1 386.429 4.127 50 30 GIEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 ZINC000011916898 527014127 /nfs/dbraw/zinc/01/41/27/527014127.db2.gz QWIRQXQRGPUNJM-UHFFFAOYSA-N 0 1 376.438 4.171 50 30 GIEAMN Oc1c(Br)cc(Br)cc1/C=N/NCc1ccccc1 ZINC000002895644 570317414 /nfs/dbraw/zinc/31/74/14/570317414.db2.gz XTISYVRZTWVHGB-GIJQJNRQSA-N 0 1 384.071 4.041 50 30 GIEAMN CCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O ZINC000006274315 570357193 /nfs/dbraw/zinc/35/71/93/570357193.db2.gz JRIJTVMJZXYCGG-UAQCVPFCSA-N 0 1 396.472 4.229 50 30 GIEAMN CCCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004973897 570386844 /nfs/dbraw/zinc/38/68/44/570386844.db2.gz MPWWYKIJELSXPI-VOSQQLOXSA-N 0 1 399.491 4.469 50 30 GIEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000011915955 570448056 /nfs/dbraw/zinc/44/80/56/570448056.db2.gz AGRRDQCPVKFPGU-UHFFFAOYSA-N 0 1 378.866 4.377 50 30 GIEAMN C=CCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccccc1F ZINC000006743290 570565241 /nfs/dbraw/zinc/56/52/41/570565241.db2.gz LDSCQFYUBZCDLU-NRFANRHFSA-N 0 1 377.419 4.269 50 30 GIEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000006813944 570617947 /nfs/dbraw/zinc/61/79/47/570617947.db2.gz SXISQEIHNVJFLS-HKUYNNGSSA-N 0 1 397.858 4.097 50 30 GIEAMN C=CC[C@@H]1C=CC[C@@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000169682775 570784469 /nfs/dbraw/zinc/78/44/69/570784469.db2.gz SBHWYMPHTLLVGA-JHJVBQTASA-N 0 1 375.328 4.332 50 30 GIEAMN Cc1ccc(-c2ccc(/C=N\N=C3\NC(=O)C(Cc4ccccc4)S3)o2)cc1 ZINC000004719566 570859218 /nfs/dbraw/zinc/85/92/18/570859218.db2.gz NOCJOAFKKLQBQD-FVHJOOJJSA-N 0 1 389.480 4.419 50 30 GIEAMN N#Cc1cc(NC2CCN(Cc3cccnc3)CC2)nc2ccc(Cl)cc12 ZINC000170616203 570873885 /nfs/dbraw/zinc/87/38/85/570873885.db2.gz MZWMUXMOBWMMRE-UHFFFAOYSA-N 0 1 377.879 4.231 50 30 GIEAMN C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984022 570911047 /nfs/dbraw/zinc/91/10/47/570911047.db2.gz LTYVRHMSOYMCLR-FCHUYYIVSA-N 0 1 382.479 4.148 50 30 GIEAMN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984022 570911050 /nfs/dbraw/zinc/91/10/50/570911050.db2.gz LTYVRHMSOYMCLR-FCHUYYIVSA-N 0 1 382.479 4.148 50 30 GIEAMN Cc1ccc(-c2ccc(C=NN=C3NC(=O)C(Cc4ccccc4)S3)o2)cc1 ZINC000252622077 571033928 /nfs/dbraw/zinc/03/39/28/571033928.db2.gz NOCJOAFKKLQBQD-FQEVSTJZSA-N 0 1 389.480 4.419 50 30 GIEAMN COc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000004975441 817544347 /nfs/dbraw/zinc/54/43/47/817544347.db2.gz DIMDHMNILJZXGX-UHFFFAOYSA-N 0 1 377.400 4.477 50 30 GIEAMN C=CCn1c2ccc(C)cc2cc(CN(C)[C@@H](C)c2c(C)nn(C)c2C)c1=O ZINC000014983019 818280619 /nfs/dbraw/zinc/28/06/19/818280619.db2.gz NOJXTFSMABFLNT-KRWDZBQOSA-N 0 1 378.520 4.039 50 30 GIEAMN C=CCn1c2ccc(C)cc2cc(CN(C)[C@H](C)c2c(C)nn(C)c2C)c1=O ZINC000014983016 818280840 /nfs/dbraw/zinc/28/08/40/818280840.db2.gz NOJXTFSMABFLNT-QGZVFWFLSA-N 0 1 378.520 4.039 50 30 GIEAMN CCN(CC)c1ccc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 ZINC000004737904 204070608 /nfs/dbraw/zinc/07/06/08/204070608.db2.gz QWWCIXUZIHWQJR-HYARGMPZSA-N 0 1 394.431 4.384 50 30 GIEAMN CCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004888990 204086888 /nfs/dbraw/zinc/08/68/88/204086888.db2.gz DRNMDCULEAJLAY-JCAVJTNVSA-N 0 1 385.464 4.078 50 30 GIEAMN O=C1CSC(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)=N1 ZINC000004592195 204056137 /nfs/dbraw/zinc/05/61/37/204056137.db2.gz RLRMCEJTTYQEAH-DNTJNYDQSA-N 0 1 394.283 4.125 50 30 GIEAMN Fc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000006059539 204162252 /nfs/dbraw/zinc/16/22/52/204162252.db2.gz UTNLKKMFPHELIS-GIJQJNRQSA-N 0 1 377.242 4.391 50 30 GIEAMN O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(-c3ccccc3F)n[nH]c2=S)c1 ZINC000005450573 204133585 /nfs/dbraw/zinc/13/35/85/204133585.db2.gz OGGMVMOIEXUGRA-QGMBQPNBSA-N 0 1 377.788 4.191 50 30 GIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)no1 ZINC000006412931 204177114 /nfs/dbraw/zinc/17/71/14/204177114.db2.gz CBEDLAYJQPOKGN-SFHVURJKSA-N 0 1 396.349 4.044 50 30 GIEAMN C(=NNc1nc2ccccc2s1)c1cccn1CCCOc1ccccc1 ZINC000004671874 518376309 /nfs/dbraw/zinc/37/63/09/518376309.db2.gz GZQJWTRXSIOWAC-CJLVFECKSA-N 0 1 376.485 4.435 50 30 GIEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccn1CCCOc1ccccc1 ZINC000004671874 518376313 /nfs/dbraw/zinc/37/63/13/518376313.db2.gz GZQJWTRXSIOWAC-CJLVFECKSA-N 0 1 376.485 4.435 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000103098390 520556548 /nfs/dbraw/zinc/55/65/48/520556548.db2.gz UGLDBWLEYXAIPN-WOOAAIBNSA-N 0 1 383.419 4.056 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009363628 520557798 /nfs/dbraw/zinc/55/77/98/520557798.db2.gz DJYNMGKJJTVXON-HXUWFJFHSA-N 0 1 395.455 4.082 50 30 GIEAMN CCCCc1n(C)c(=O)c2c3ccccc3sc2[n+]1C=C([O-])c1ccccc1 ZINC000019878835 521288537 /nfs/dbraw/zinc/28/85/37/521288537.db2.gz FGRVJADLMWCJQI-UHFFFAOYSA-N 0 1 391.516 4.266 50 30 GIEAMN 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GIEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000002399549 570285999 /nfs/dbraw/zinc/28/59/99/570285999.db2.gz SBHGHNHQBGNJBL-YBFXNURJSA-N 0 1 383.433 4.185 50 30 GIEAMN COc1ccc(O)c(C=NNc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000004092164 570357076 /nfs/dbraw/zinc/35/70/76/570357076.db2.gz KSYZEJIQZNCEAW-BUVRLJJBSA-N 0 1 384.439 4.381 50 30 GIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000004898771 570358634 /nfs/dbraw/zinc/35/86/34/570358634.db2.gz WTXYTRDODISRJZ-SQULJVTFSA-N 0 1 381.501 4.329 50 30 GIEAMN CCCC1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000004899380 570358639 /nfs/dbraw/zinc/35/86/39/570358639.db2.gz STJRTMJUYULVQZ-YGHXBTADSA-N 0 1 381.501 4.329 50 30 GIEAMN O=[N+]([O-])c1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239248146 570428583 /nfs/dbraw/zinc/42/85/83/570428583.db2.gz YDZTVMFLSZTBCN-UHFFFAOYSA-N 0 1 398.466 4.316 50 30 GIEAMN C#Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000072285052 570474209 /nfs/dbraw/zinc/47/42/09/570474209.db2.gz HWRJZEPYRCFOLB-LJQANCHMSA-N 0 1 387.405 4.083 50 30 GIEAMN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc1 ZINC000052778679 570817387 /nfs/dbraw/zinc/81/73/87/570817387.db2.gz ARDBQVCFPGQIOY-UHFFFAOYSA-N 0 1 394.431 4.130 50 30 GIEAMN COc1cc(Br)cc(C=NNc2nc3ccccc3s2)c1O ZINC000252598014 571004208 /nfs/dbraw/zinc/00/42/08/571004208.db2.gz CXGFQDFTTTWLCO-UHFFFAOYSA-N 0 1 378.251 4.219 50 30 GIEAMN Cc1ccc(-c2ccc(C=NN=C3NC(=O)C(Cc4ccccc4)S3)o2)cc1 ZINC000252622078 571033948 /nfs/dbraw/zinc/03/39/48/571033948.db2.gz NOCJOAFKKLQBQD-HXUWFJFHSA-N 0 1 389.480 4.419 50 30 GIEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000002370427 817386097 /nfs/dbraw/zinc/38/60/97/817386097.db2.gz JHAUZUIBRFOYAR-PKOBYXMFSA-N 0 1 399.498 4.105 50 30 GIEAMN COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1C[NH+]1CCCCC1 ZINC000012808238 818183435 /nfs/dbraw/zinc/18/34/35/818183435.db2.gz XVVSRUCPXQIJCG-YRNVUSSQSA-N 0 1 379.456 4.275 50 30 GIEAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1sccc1C#N ZINC000012823350 818184844 /nfs/dbraw/zinc/18/48/44/818184844.db2.gz KOHZHGHVDYSTSU-ZPMKCOPCSA-N 0 1 399.476 4.167 50 30 GIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000006813495 230851988 /nfs/dbraw/zinc/85/19/88/230851988.db2.gz VEJKOEOFZITYLM-GOSISDBHSA-N 0 1 394.427 4.061 50 30 GIEAMN Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000097001602 231002280 /nfs/dbraw/zinc/00/22/80/231002280.db2.gz CEPMXUWESVAOSF-NSHDSACASA-N 0 1 378.335 4.010 50 30 GIEAMN Cc1csc(C(C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000097001602 231002283 /nfs/dbraw/zinc/00/22/83/231002283.db2.gz CEPMXUWESVAOSF-NSHDSACASA-N 0 1 378.335 4.010 50 30 GIEAMN CC(NNc1ncc(C(F)(F)F)cc1Cl)=C1C(=O)c2ccccc2C1=O ZINC000002571145 203949785 /nfs/dbraw/zinc/94/97/85/203949785.db2.gz ACOIAYAKVVVCIU-UHFFFAOYSA-N 0 1 381.741 4.024 50 30 GIEAMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004739376 204071892 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COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006720106 204194222 /nfs/dbraw/zinc/19/42/22/204194222.db2.gz BGABIROZKWKFMT-IBGZPJMESA-N 0 1 399.874 4.263 50 30 GIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C)cc2)cc1 ZINC000016741318 519019103 /nfs/dbraw/zinc/01/91/03/519019103.db2.gz NFGYKZRFMHUYIX-NRFANRHFSA-N 0 1 389.451 4.324 50 30 GIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016741703 520863121 /nfs/dbraw/zinc/86/31/21/520863121.db2.gz MHJBXFRQFFOZPT-GOSISDBHSA-N 0 1 385.847 4.385 50 30 GIEAMN CCC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000100229420 521171590 /nfs/dbraw/zinc/17/15/90/521171590.db2.gz ODOFYPRVKSLVEI-UHFFFAOYSA-N 0 1 382.226 4.464 50 30 GIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000004312708 526024576 /nfs/dbraw/zinc/02/45/76/526024576.db2.gz MPXMEVUGBLJMQN-JOCHJYFZSA-N 0 1 398.462 4.477 50 30 GIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F ZINC000013161938 526269124 /nfs/dbraw/zinc/26/91/24/526269124.db2.gz HZLNUPFVACAETK-LJQANCHMSA-N 0 1 377.371 4.197 50 30 GIEAMN N=C(Cc1cccc2ccccc21)NOC(=O)c1ccccc1Br ZINC000004860287 570349843 /nfs/dbraw/zinc/34/98/43/570349843.db2.gz GMTZKZDLLBOLCZ-UHFFFAOYSA-N 0 1 383.245 4.274 50 30 GIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004934693 570373424 /nfs/dbraw/zinc/37/34/24/570373424.db2.gz ZDGAPVBAKDJXBQ-LXYRJJAWSA-N 0 1 399.491 4.469 50 30 GIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005409059 570438310 /nfs/dbraw/zinc/43/83/10/570438310.db2.gz JYSTTYUZXWSDLJ-HRAATJIYSA-N 0 1 393.483 4.078 50 30 GIEAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000100552383 570513583 /nfs/dbraw/zinc/51/35/83/570513583.db2.gz DKSDQRCPFPHCCK-WQRHYEAKSA-N 0 1 376.485 4.444 50 30 GIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000006813929 570617719 /nfs/dbraw/zinc/61/77/19/570617719.db2.gz SXISQEIHNVJFLS-IEBWSBKVSA-N 0 1 397.858 4.097 50 30 GIEAMN Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)c1C ZINC000022928319 570631899 /nfs/dbraw/zinc/63/18/99/570631899.db2.gz YIIQGQGVJVFUGR-UGKGYDQZSA-N 0 1 396.604 4.378 50 30 GIEAMN Oc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(Cl)cc2Cl)cc1O ZINC000254704877 570736622 /nfs/dbraw/zinc/73/66/22/570736622.db2.gz KYRCNKYXCCIVIO-UHFFFAOYSA-N 0 1 381.244 4.208 50 30 GIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000104197981 570897950 /nfs/dbraw/zinc/89/79/50/570897950.db2.gz SNEHGHGYMDUGQA-UYTDBDHRSA-N 0 1 398.390 4.048 50 30 GIEAMN Oc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1F ZINC000001276206 570947139 /nfs/dbraw/zinc/94/71/39/570947139.db2.gz XEUSPJLZEVLAFE-QGMBQPNBSA-N 0 1 393.241 4.097 50 30 GIEAMN C=CCc1cccc(C=Nn2c(-c3cccc(OCC)c3)n[nH]c2=S)c1O ZINC000001238980 570947274 /nfs/dbraw/zinc/94/72/74/570947274.db2.gz XQACJWLTELTXCE-FYJGNVAPSA-N 0 1 380.473 4.323 50 30 GIEAMN CC[C@@H]1CCc2sc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)cc2C1 ZINC000007779921 571037270 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COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O ZINC000004756415 204074842 /nfs/dbraw/zinc/07/48/42/204074842.db2.gz QFDRAVQYXJBMBF-LPYMAVHISA-N 0 1 391.383 4.312 50 30 GIEAMN Cc1cc(N=NCc2ccc(Br)cc2)nc(-c2ccccc2O)n1 ZINC000004837351 204080212 /nfs/dbraw/zinc/08/02/12/204080212.db2.gz URKJIAHPNNBRCJ-RGVLZGJSSA-N 0 1 383.249 4.366 50 30 GIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005819012 204152708 /nfs/dbraw/zinc/15/27/08/204152708.db2.gz PDHZKADGEVACCD-INIZCTEOSA-N 0 1 398.390 4.204 50 30 GIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(C#N)c1C ZINC000006547846 204182340 /nfs/dbraw/zinc/18/23/40/204182340.db2.gz DHYZWZYVJBCMRR-SSDVNMTOSA-N 0 1 394.456 4.055 50 30 GIEAMN N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4cnc[nH]4)CC3)c2)cc1 ZINC000241965774 206128706 /nfs/dbraw/zinc/12/87/06/206128706.db2.gz UVOATTOLPFUJBS-UHFFFAOYSA-N 0 1 387.443 4.485 50 30 GIEAMN C#CCOc1c(Cl)cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OC ZINC000004680686 518316900 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HMDCHUJABWOXNP-UHFFFAOYSA-N 0 1 375.520 4.008 50 30 GIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCC)[C@H]2c2ccccc2)cc1 ZINC000016741475 519018019 /nfs/dbraw/zinc/01/80/19/519018019.db2.gz NQBBTTKQLYFSBC-FQEVSTJZSA-N 0 1 377.440 4.240 50 30 GIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019884419 519839550 /nfs/dbraw/zinc/83/95/50/519839550.db2.gz JAPUFXWPQOLQJE-LJQANCHMSA-N 0 1 398.528 4.011 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102859023 520556505 /nfs/dbraw/zinc/55/65/05/520556505.db2.gz OTNAOPIMEUTNAB-MRJHHRETSA-N 0 1 392.499 4.283 50 30 GIEAMN COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000100007120 523382447 /nfs/dbraw/zinc/38/24/47/523382447.db2.gz ZMGUKFHHNQMKJI-CIOHCNBKSA-N 0 1 396.439 4.459 50 30 biogenic,in-vitro GIEAMN CCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O ZINC000002372729 523606016 /nfs/dbraw/zinc/60/60/16/523606016.db2.gz RBGDPVLILJKLTM-SPKHDRPZSA-N 0 1 396.472 4.147 50 30 GIEAMN 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391.398 4.349 50 30 GIEAMN O=C(Nc1cccnc1)/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccccc1 ZINC000098055430 527441005 /nfs/dbraw/zinc/44/10/05/527441005.db2.gz IFNJJKIHGZXJDU-BOPFTXTBSA-N 0 1 378.815 4.346 50 30 GIEAMN CCCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O ZINC000004956817 570381729 /nfs/dbraw/zinc/38/17/29/570381729.db2.gz JRIJTVMJZXYCGG-RXSWUABFSA-N 0 1 396.472 4.229 50 30 GIEAMN N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000011006769 570425603 /nfs/dbraw/zinc/42/56/03/570425603.db2.gz PPKJUQHRJVOITP-UHFFFAOYSA-N 0 1 384.483 4.451 50 30 GIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000006813782 570494867 /nfs/dbraw/zinc/49/48/67/570494867.db2.gz PIWFESMCEYBBIS-IEBWSBKVSA-N 0 1 397.858 4.097 50 30 GIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000006813177 570495075 /nfs/dbraw/zinc/49/50/75/570495075.db2.gz QPBPPKGNIZWMST-LJQANCHMSA-N 0 1 399.874 4.263 50 30 GIEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000005214339 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Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc(Br)ccc1O ZINC000001240576 206370586 /nfs/dbraw/zinc/37/05/86/206370586.db2.gz CERZKKCJQMHQHE-GIJQJNRQSA-N 0 1 389.278 4.266 50 30 GIEAMN COc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1O ZINC000012467072 206904429 /nfs/dbraw/zinc/90/44/29/206904429.db2.gz BYKIBMZSNQDEBY-YZSQISJMSA-N 0 1 399.494 4.122 50 30 GIEAMN COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000027562213 207326777 /nfs/dbraw/zinc/32/67/77/207326777.db2.gz XJYOWKLOUGNNTN-GOSISDBHSA-N 0 1 378.432 4.064 50 30 GIEAMN CCn1c(-c2cc(NC(=O)c3ccc(C#N)cc3)[nH]n2)cc2c1cccc2OC ZINC000096398627 208314702 /nfs/dbraw/zinc/31/47/02/208314702.db2.gz VPJIALRVEQULMO-UHFFFAOYSA-N 0 1 385.427 4.184 50 30 GIEAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1sccc1C#N ZINC000098003827 208365586 /nfs/dbraw/zinc/36/55/86/208365586.db2.gz KOHZHGHVDYSTSU-MEQVVJDKSA-N 0 1 399.476 4.167 50 30 GIEAMN C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000012062596 519027214 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Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000100148478 208371422 /nfs/dbraw/zinc/37/14/22/208371422.db2.gz PBOVVOGJFCDMCH-GZTJUZNOSA-N 0 1 380.448 4.356 50 30 GIEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1cccc(OCC)c1 ZINC000012063458 221147137 /nfs/dbraw/zinc/14/71/37/221147137.db2.gz KYKKJWSBZGQDNE-QFIPXVFZSA-N 0 1 389.455 4.221 50 30 GIEAMN CCCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000004062816 520322537 /nfs/dbraw/zinc/32/25/37/520322537.db2.gz PIPVGFCNYNRMSL-XQNSMLJCSA-N 0 1 395.484 4.422 50 30 GIEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000004953047 521253054 /nfs/dbraw/zinc/25/30/54/521253054.db2.gz SHIASKFIZDLYCS-RXSWUABFSA-N 0 1 385.489 4.313 50 30 GIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc1OC ZINC000016995593 523456156 /nfs/dbraw/zinc/45/61/56/523456156.db2.gz YIQYYOUDEHOOOT-CIAFOILYSA-N 0 1 398.488 4.294 50 30 GIEAMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000003129898 523909155 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Cc1ccc(CC2S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 ZINC000013583184 524688309 /nfs/dbraw/zinc/68/83/09/524688309.db2.gz UNECMZKCHQMYMT-OAHLLOKOSA-N 0 1 375.291 4.219 50 30 GIEAMN Cc1ccc(NC(=O)C(N=Nc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000002903560 524991902 /nfs/dbraw/zinc/99/19/02/524991902.db2.gz YPOFUIPXABOKQB-UHFFFAOYSA-N 0 1 386.455 4.349 50 30 GIEAMN COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009348907 525228041 /nfs/dbraw/zinc/22/80/41/525228041.db2.gz JIMRNSVFPBQRSP-LFVRLGFBSA-N 0 1 376.456 4.468 50 30 biogenic,in-vitro GIEAMN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009348905 525393948 /nfs/dbraw/zinc/39/39/48/525393948.db2.gz JIMRNSVFPBQRSP-PSLXWICFSA-N 0 1 376.456 4.468 50 30 biogenic,in-vitro GIEAMN C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=N)Cc1cccc2ccccc21 ZINC000004978556 525942086 /nfs/dbraw/zinc/94/20/86/525942086.db2.gz SYGZFJUXYZNENR-CQSZACIVSA-N 0 1 382.847 4.319 50 30 GIEAMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 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NSBRKSWSLRQPJW-ZXJYCPGTSA-N 0 1 396.487 4.354 50 30 GIEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000005214338 570512051 /nfs/dbraw/zinc/51/20/51/570512051.db2.gz GRYHSJNMADRUOA-RSFOSLOZSA-N 0 1 375.856 4.033 50 30 GIEAMN N#Cc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005884325 570801023 /nfs/dbraw/zinc/80/10/23/570801023.db2.gz NYVATBSKVBDVLV-UHFFFAOYSA-N 0 1 394.296 4.397 50 30 GIEAMN CCc1ccc(N2C(=O)C(C=Nc3ccc(C(C)=O)cc3)C(=O)NC2=S)cc1 ZINC000101581672 570826914 /nfs/dbraw/zinc/82/69/14/570826914.db2.gz DWVKFEIILVYMLB-WSDLNYQXSA-N 0 1 393.468 4.116 50 30 GIEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005025687 570945810 /nfs/dbraw/zinc/94/58/10/570945810.db2.gz HDKRICRDGRISIS-FDJFIASXSA-N 0 1 381.501 4.248 50 30 GIEAMN CC[C@H]1CCc2sc(C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)cc2C1 ZINC000007779920 571037262 /nfs/dbraw/zinc/03/72/62/571037262.db2.gz ZTANFLFFKPNQJN-GXTWGEPZSA-N 0 1 388.514 4.061 50 30 GIEAMN CC[C@H]1CCc2sc(C(=O)OCC(=O)C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779920 571037263 /nfs/dbraw/zinc/03/72/63/571037263.db2.gz ZTANFLFFKPNQJN-GXTWGEPZSA-N 0 1 388.514 4.061 50 30 GIEAMN CCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000002362409 209358866 /nfs/dbraw/zinc/35/88/66/209358866.db2.gz MPWWYKIJELSXPI-MQBMHJJESA-N 0 1 399.491 4.469 50 30 GIEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc32)c1 ZINC000001478941 209330166 /nfs/dbraw/zinc/33/01/66/209330166.db2.gz YXACFFHSIOSNRC-CIAFOILYSA-N 0 1 376.441 4.357 50 30 GIEAMN CCn1c(-c2cc(NC(=O)c3cccc(C#N)c3)[nH]n2)cc2ccc(OC)cc21 ZINC000096400339 211341445 /nfs/dbraw/zinc/34/14/45/211341445.db2.gz IRUXPWYCTMMCHU-UHFFFAOYSA-N 0 1 385.427 4.184 50 30 GIEAMN CCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000069349165 211035412 /nfs/dbraw/zinc/03/54/12/211035412.db2.gz CXDGZTXZRKMKQS-XLIONFOSSA-N 0 1 380.492 4.081 50 30 GIEAMN C=CCOc1c(Cl)cc(CNCc2ccc(C(=O)NC)cc2)cc1Cl ZINC000055307430 519003973 /nfs/dbraw/zinc/00/39/73/519003973.db2.gz KUUCQWJERZRKDS-UHFFFAOYSA-N 0 1 379.287 4.208 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000103098388 520557885 /nfs/dbraw/zinc/55/78/85/520557885.db2.gz UGLDBWLEYXAIPN-LFVOPCPISA-N 0 1 383.419 4.056 50 30 GIEAMN CCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000033776419 523422205 /nfs/dbraw/zinc/42/22/05/523422205.db2.gz BLRRPGWQQPUFRP-IIGRLWHBSA-N 0 1 394.544 4.305 50 30 GIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 ZINC000017058130 526026831 /nfs/dbraw/zinc/02/68/31/526026831.db2.gz HGCQFXZLGGYWHQ-OAQYLSRUSA-N 0 1 384.435 4.169 50 30 GIEAMN C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn32)CC1 ZINC000040216703 526608408 /nfs/dbraw/zinc/60/84/08/526608408.db2.gz VQBGQWVTFKKWGJ-UHFFFAOYSA-N 0 1 395.938 4.365 50 30 GIEAMN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)CCCOc1ccccc1 ZINC000004986007 526814649 /nfs/dbraw/zinc/81/46/49/526814649.db2.gz DVCGFZQIAQIBSV-UHFFFAOYSA-N 0 1 381.259 4.211 50 30 GIEAMN O=C(COc1ccc(Br)cc1Cl)Nc1nc(C2CCC2)n[nH]1 ZINC000097136378 527587342 /nfs/dbraw/zinc/58/73/42/527587342.db2.gz YUFFOXWIUWLYOZ-UHFFFAOYSA-N 0 1 385.649 4.155 50 30 GIEAMN O=C(COc1ccc(Br)cc1Cl)Nc1n[nH]c(C2CCC2)n1 ZINC000097136378 527587347 /nfs/dbraw/zinc/58/73/47/527587347.db2.gz YUFFOXWIUWLYOZ-UHFFFAOYSA-N 0 1 385.649 4.155 50 30 GIEAMN N#CCCN(C(=O)CN1CCC[C@@H]1CCc1ccccc1)c1ccccc1F ZINC000048289783 570229011 /nfs/dbraw/zinc/22/90/11/570229011.db2.gz RDCNHPUBJUHKEV-HXUWFJFHSA-N 0 1 379.479 4.170 50 30 GIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004934697 570373442 /nfs/dbraw/zinc/37/34/42/570373442.db2.gz ZDGAPVBAKDJXBQ-VOSQQLOXSA-N 0 1 399.491 4.469 50 30 GIEAMN N=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000004719637 570397599 /nfs/dbraw/zinc/39/75/99/570397599.db2.gz LBSRCOYMOTUWHH-CQSZACIVSA-N 0 1 394.283 4.005 50 30 GIEAMN C/C(=N/N=C1\NC(=O)C(Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000005047956 570425873 /nfs/dbraw/zinc/42/58/73/570425873.db2.gz GRYHSJNMADRUOA-VBHHZLGVSA-N 0 1 375.856 4.033 50 30 GIEAMN CN(CC(=O)Nc1nnc(-c2ccccc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000027929467 570445279 /nfs/dbraw/zinc/44/52/79/570445279.db2.gz YKWSBYQPPZUTIO-UHFFFAOYSA-N 0 1 380.492 4.473 50 30 GIEAMN CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000005625099 570449058 /nfs/dbraw/zinc/44/90/58/570449058.db2.gz HWXNCWMJKBDAHJ-YBFXNURJSA-N 0 1 383.433 4.185 50 30 GIEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)c1 ZINC000006007295 570463971 /nfs/dbraw/zinc/46/39/71/570463971.db2.gz ODSLLWDCYSNQNQ-VCHYOVAHSA-N 0 1 389.278 4.261 50 30 GIEAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc1Cc1ccccc1 ZINC000005312488 570552302 /nfs/dbraw/zinc/55/23/02/570552302.db2.gz IYUZDFQAMOUGJV-HNNXBMFYSA-N 0 1 376.485 4.300 50 30 GIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)no1 ZINC000005800516 570693497 /nfs/dbraw/zinc/69/34/97/570693497.db2.gz RWUBZBBYHSCLTN-SFHVURJKSA-N 0 1 396.349 4.044 50 30 GIEAMN CN(C)CCO/N=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257358568 570786120 /nfs/dbraw/zinc/78/61/20/570786120.db2.gz VDVFPECJIDUPKS-ISPPVKPYSA-N 0 1 376.585 4.324 50 30 GIEAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122138 570815292 /nfs/dbraw/zinc/81/52/92/570815292.db2.gz DKSDQRCPFPHCCK-WOJGMQOQSA-N 0 1 376.485 4.444 50 30 GIEAMN N#CC(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2ccccc2o1 ZINC000170623078 570881464 /nfs/dbraw/zinc/88/14/64/570881464.db2.gz LQZQEGBOHTWQOT-LBPRGKRZSA-N 0 1 398.300 4.387 50 30 GIEAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1sccc1C#N ZINC000012823348 818184849 /nfs/dbraw/zinc/18/48/49/818184849.db2.gz KOHZHGHVDYSTSU-TZOMUSMUSA-N 0 1 399.476 4.167 50 30 GIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000018211418 210217608 /nfs/dbraw/zinc/21/76/08/210217608.db2.gz ZRLMKXLHFGQFHY-KRWDZBQOSA-N 0 1 394.427 4.374 50 30 GIEAMN N#Cc1ccccc1OCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013734307 210086498 /nfs/dbraw/zinc/08/64/98/210086498.db2.gz BDMZDDPAFOSIOC-UHFFFAOYSA-N 0 1 392.528 4.149 50 30 GIEAMN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)n1 ZINC000006813377 209692245 /nfs/dbraw/zinc/69/22/45/209692245.db2.gz FUDBLPJQNFDYPI-SFHVURJKSA-N 0 1 394.427 4.374 50 30 GIEAMN CCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000002353586 209359317 /nfs/dbraw/zinc/35/93/17/209359317.db2.gz KVHDHLDKXPQPLZ-REYLQNMUSA-N 0 1 387.530 4.391 50 30 GIEAMN CCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002324352 209356875 /nfs/dbraw/zinc/35/68/75/209356875.db2.gz SGZYMNZLXIYDLF-MQBMHJJESA-N 0 1 398.507 4.136 50 30 GIEAMN CCCC1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000004888938 211555484 /nfs/dbraw/zinc/55/54/84/211555484.db2.gz KVHDHLDKXPQPLZ-AVBHYHMMSA-N 0 1 387.530 4.391 50 30 GIEAMN N#Cc1cccc(/C=C\C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000096130002 211304878 /nfs/dbraw/zinc/30/48/78/211304878.db2.gz NZFFNAHSEMTYLP-TWGQIWQCSA-N 0 1 379.891 4.006 50 30 GIEAMN CCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(CC)cc2)S1 ZINC000006593528 520471788 /nfs/dbraw/zinc/47/17/88/520471788.db2.gz FNTQFQUHTADVHO-KMUCBOENSA-N 0 1 395.528 4.202 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 ZINC000103098597 520558466 /nfs/dbraw/zinc/55/84/66/520558466.db2.gz VIGSHLNAPFLZSG-LFVOPCPISA-N 0 1 383.419 4.056 50 30 GIEAMN CCCCNC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000012377720 520628464 /nfs/dbraw/zinc/62/84/64/520628464.db2.gz LZWJUSCKNNMNAA-NKWDDMGQSA-N 0 1 381.501 4.129 50 30 GIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020606225 523550862 /nfs/dbraw/zinc/55/08/62/523550862.db2.gz MISIIQDPFZXAMH-HXUWFJFHSA-N 0 1 395.430 4.355 50 30 GIEAMN OCC1(Cc2ccccc2C(F)(F)F)CCN(CC#Cc2ccccc2)CC1 ZINC000012711546 527523758 /nfs/dbraw/zinc/52/37/58/527523758.db2.gz JWGCYRUHYKMBIS-UHFFFAOYSA-N 0 1 387.445 4.374 50 30 GIEAMN C=CCOc1ccccc1CN1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000015063151 570246187 /nfs/dbraw/zinc/24/61/87/570246187.db2.gz UAMLVUTYGZEOPA-QHCPKHFHSA-N 0 1 387.470 4.347 50 30 GIEAMN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000005096599 570415179 /nfs/dbraw/zinc/41/51/79/570415179.db2.gz SJXIBSDTWXHWRH-JOCHJYFZSA-N 0 1 397.519 4.182 50 30 GIEAMN COc1ccc(C(=N)NOC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000004898705 570416022 /nfs/dbraw/zinc/41/60/22/570416022.db2.gz AWJGPIPPBRCLLA-UHFFFAOYSA-N 0 1 397.258 4.025 50 30 GIEAMN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1Br ZINC000005174135 570492941 /nfs/dbraw/zinc/49/29/41/570492941.db2.gz CWDNGDYQAYQJGL-LZYBPNLTSA-N 0 1 377.223 4.413 50 30 GIEAMN COc1ccccc1CC(=N)NOC(=O)CC(c1ccccc1)c1ccccc1 ZINC000004913772 570499087 /nfs/dbraw/zinc/49/90/87/570499087.db2.gz IIVVSLZAYFDYRT-UHFFFAOYSA-N 0 1 388.467 4.275 50 30 GIEAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000064670187 570515169 /nfs/dbraw/zinc/51/51/69/570515169.db2.gz CNAHSKODUOLPJI-UHFFFAOYSA-N 0 1 399.497 4.190 50 30 GIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 ZINC000009013384 570546350 /nfs/dbraw/zinc/54/63/50/570546350.db2.gz YLSIJWSBEYKASE-IBGZPJMESA-N 0 1 383.419 4.213 50 30 GIEAMN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147082 570548850 /nfs/dbraw/zinc/54/88/50/570548850.db2.gz LTYVRHMSOYMCLR-YADHBBJMSA-N 0 1 382.479 4.148 50 30 GIEAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc1Cc1ccccc1 ZINC000004492514 570809984 /nfs/dbraw/zinc/80/99/84/570809984.db2.gz SSRQHPIKYPIPKD-OAHLLOKOSA-N 0 1 376.485 4.300 50 30 GIEAMN COc1cccc(C=NNc2ccc3c(Cl)cc(Cl)c(O)c3n2)c1O ZINC000004587458 570922614 /nfs/dbraw/zinc/92/26/14/570922614.db2.gz CBJIXQCZPHXPAQ-DNTJNYDQSA-N 0 1 378.215 4.407 50 30 GIEAMN C=CCN(Cc1cccn1Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000004753075 570964548 /nfs/dbraw/zinc/96/45/48/570964548.db2.gz HHQCDRDPPXRGAF-QHCPKHFHSA-N 0 1 378.491 4.267 50 30 GIEAMN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(C)n[nH]c1C ZINC000015986033 210181290 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C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccccc2)c(C)c1 ZINC000016741366 519019361 /nfs/dbraw/zinc/01/93/61/519019361.db2.gz BBTLIAHZBOGMFG-OAQYLSRUSA-N 0 1 389.451 4.324 50 30 GIEAMN CCCOc1ccccc1/C=N/N=C1\NC(=O)C(Cc2ccc(CC)cc2)S1 ZINC000006593525 520471335 /nfs/dbraw/zinc/47/13/35/520471335.db2.gz FNTQFQUHTADVHO-VRMLFSPKSA-N 0 1 395.528 4.202 50 30 GIEAMN CCOc1cc(C=NNc2nc3ccccc3s2)c(Br)cc1O ZINC000036046627 520647427 /nfs/dbraw/zinc/64/74/27/520647427.db2.gz FGDMYJGVKNYOPE-NVMNQCDNSA-N 0 1 392.278 4.031 50 30 GIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102876356 523271155 /nfs/dbraw/zinc/27/11/55/523271155.db2.gz DGPHAVWBCGUBGD-LFVOPCPISA-N 0 1 399.874 4.107 50 30 GIEAMN COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1OC ZINC000019773290 523440327 /nfs/dbraw/zinc/44/03/27/523440327.db2.gz QVFWNULZUVGPGS-KOEQRZSOSA-N 0 1 389.499 4.009 50 30 GIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102862690 523791737 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4.122 50 30 GIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000005800503 570693522 /nfs/dbraw/zinc/69/35/22/570693522.db2.gz NJMZZWXAPVEWRF-GOSISDBHSA-N 0 1 394.814 4.419 50 30 GIEAMN CCOC(=O)c1ccc(N=NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000004519742 570830405 /nfs/dbraw/zinc/83/04/05/570830405.db2.gz OKAHKFQRSAXIQN-UFWORHAWSA-N 0 1 398.202 4.230 50 30 GIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000104197977 570898092 /nfs/dbraw/zinc/89/80/92/570898092.db2.gz SNEHGHGYMDUGQA-IBOXJLQUSA-N 0 1 398.390 4.048 50 30 GIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccccc2)cc1 ZINC000016737372 570932237 /nfs/dbraw/zinc/93/22/37/570932237.db2.gz LIPQONRABLNMNY-FQEVSTJZSA-N 0 1 375.424 4.016 50 30 GIEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc21 ZINC000002509431 570965842 /nfs/dbraw/zinc/96/58/42/570965842.db2.gz JUZSXCUDTUKBBB-CIAFOILYSA-N 0 1 376.441 4.357 50 30 GIEAMN COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682367 571028335 /nfs/dbraw/zinc/02/83/35/571028335.db2.gz CYCFKJOMTSSBSV-NLRVBDNBSA-N 0 1 383.495 4.417 50 30 GIEAMN C[C@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000002370422 817386068 /nfs/dbraw/zinc/38/60/68/817386068.db2.gz JHAUZUIBRFOYAR-HKUYNNGSSA-N 0 1 399.498 4.105 50 30 GIEAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000003129896 817418414 /nfs/dbraw/zinc/41/84/14/817418414.db2.gz FOSDDCZISGKMLB-OLGPUJBVSA-N 0 1 391.254 4.384 50 30 GIEAMN COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)[nH]c2c1 ZINC000004252317 817513891 /nfs/dbraw/zinc/51/38/91/817513891.db2.gz JPLSNKJYBYFQJI-UHFFFAOYSA-N 0 1 398.513 4.114 50 30 GIEAMN COc1ccccc1[C@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)N(C)C ZINC000027562194 820259643 /nfs/dbraw/zinc/25/96/43/820259643.db2.gz ZYTASXABLBDXCL-IBGZPJMESA-N 0 1 376.460 4.245 50 30 GIEAMN CCOC(=O)Nc1cccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041554197 821208370 /nfs/dbraw/zinc/20/83/70/821208370.db2.gz ZBQFDKRNBKGXDD-AWEZNQCLSA-N 0 1 377.322 4.159 50 30 GIEAMN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S ZINC000015011395 518832294 /nfs/dbraw/zinc/83/22/94/518832294.db2.gz YHZLEYJHGNBPKA-BJMVGYQFSA-N 0 1 390.711 4.195 50 30 GIEAMN C=CCOc1c(Br)cc(CNCc2ccccc2OC)cc1OC ZINC000013720664 519001354 /nfs/dbraw/zinc/00/13/54/519001354.db2.gz VMOKIRFGSMGZCB-UHFFFAOYSA-N 0 1 392.293 4.321 50 30 GIEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000005445043 522129426 /nfs/dbraw/zinc/12/94/26/522129426.db2.gz RUPBUHZGVFQJQB-KGENOOAVSA-N 0 1 382.489 4.015 50 30 GIEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000005576563 522129588 /nfs/dbraw/zinc/12/95/88/522129588.db2.gz XZCQYKBBDSKSFE-SRZZPIQSSA-N 0 1 386.452 4.112 50 30 GIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000102508289 523275283 /nfs/dbraw/zinc/27/52/83/523275283.db2.gz HUIZTXNAHWXQCM-LFVOPCPISA-N 0 1 399.874 4.107 50 30 GIEAMN CCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O ZINC000033727612 523423053 /nfs/dbraw/zinc/42/30/53/523423053.db2.gz 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