smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 ZINC000409048584 263520661 /nfs/dbraw/zinc/52/06/61/263520661.db2.gz SISPKWUPUWXOQR-NHDPSOOVSA-N 0 2 364.426 4.260 40 30 FIEBLN C=CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1 ZINC000136818272 570630169 /nfs/dbraw/zinc/63/01/69/570630169.db2.gz MNMPIFACRLMZQX-SMTGANQKSA-N 0 2 371.487 4.083 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc([N+](=O)[O-])cc3)nc1-2 ZINC000409044378 570715837 /nfs/dbraw/zinc/71/58/37/570715837.db2.gz CJXYNVYZOGVCSU-GRSHGNNSSA-N 0 2 351.387 4.382 40 30 FIEBLN CCOC(=O)C(C#N)[C@@H](c1ccco1)[C@@H]1c2ccccc2SC1=S ZINC000016682117 206320085 /nfs/dbraw/zinc/32/00/85/206320085.db2.gz DFQWBJXAXWCZQR-RCBQFDQVSA-N 0 2 357.456 4.283 40 30 FIEBLN C/C(=N\c1cccc2cccc(N)c21)c1c(O)c2ccccc2n(C)c1=O ZINC000101161189 570510651 /nfs/dbraw/zinc/51/06/51/570510651.db2.gz BWBBYEAEMNWOHP-ZMOGYAJESA-N 0 2 357.413 4.120 40 30 FIEBLN CCc1nnc(C2=C(O)C(=Cc3c(F)cccc3Cl)SC2=N)s1 ZINC000137371386 570631554 /nfs/dbraw/zinc/63/15/54/570631554.db2.gz AKOIMASRGOCUIT-GGWXMKDLSA-N 0 2 367.858 4.311 40 30 FIEBLN N=C1SC(=Cc2ccc(Br)cc2)C(O)=C1c1nccs1 ZINC000035376976 570647452 /nfs/dbraw/zinc/64/74/52/570647452.db2.gz XCFOFMCPHITVKS-YHXJBOQGSA-N 0 2 365.277 4.323 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(OC)c3OC)nc1-2 ZINC000409046853 570715944 /nfs/dbraw/zinc/71/59/44/570715944.db2.gz KZXAKNSCVLFFHR-NHDPSOOVSA-N 0 2 366.442 4.491 40 30 FIEBLN Cc1cc(Cl)c(O)c(-c2cc(-c3ccccc3O)c(C#N)c(N)n2)c1 ZINC000035977389 571211572 /nfs/dbraw/zinc/21/15/72/571211572.db2.gz FQOMFKXNNSSZJM-UHFFFAOYSA-N 0 2 351.793 4.243 40 30 FIEBLN CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)c1 ZINC000006396820 571310252 /nfs/dbraw/zinc/31/02/52/571310252.db2.gz IOTRXPWOGIDSAK-UDWIEESQSA-N 0 2 355.394 4.488 40 30 FIEBLN C/C(=N\c1ccccc1N)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100643587 570506277 /nfs/dbraw/zinc/50/62/77/570506277.db2.gz NRYOAZLUSNSHNO-MFKUBSTISA-N 0 2 369.424 4.419 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C/c3ccc(O)c(OC)c3)nc1-2 ZINC000021006026 570927833 /nfs/dbraw/zinc/92/78/33/570927833.db2.gz UAFHYKYNPNQNSV-KEBDBYFISA-N 0 2 352.415 4.188 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)c(OC)c3)nc1-2 ZINC000409047679 570716316 /nfs/dbraw/zinc/71/63/16/570716316.db2.gz PRTPRUSZRIIGAI-NHDPSOOVSA-N 0 2 366.442 4.491 40 30 FIEBLN N=C1SC(=Cc2ccc(N3CCCCC3)o2)C(O)=C1c1nccs1 ZINC000033665044 571310597 /nfs/dbraw/zinc/31/05/97/571310597.db2.gz UJZUJYRXXSSNIV-MAWDRXTKSA-N 0 2 359.476 4.144 40 30 FIEBLN CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 ZINC000003059643 204076646 /nfs/dbraw/zinc/07/66/46/204076646.db2.gz YEWMSZAUCWNKCR-UDWIEESQSA-N 0 2 356.378 4.316 40 30 FIEBLN O=c1[nH][nH]c(=O)c2c(N=Cc3c4ccccc4cc4ccccc43)cccc12 ZINC000102976549 222316020 /nfs/dbraw/zinc/31/60/20/222316020.db2.gz JMSQXXXAQNCHKF-ZMOGYAJESA-N 0 2 365.392 4.273 40 30 FIEBLN N=C1SC(=Cc2cccc(Br)c2)C(O)=C1c1nccs1 ZINC000135989706 570629064 /nfs/dbraw/zinc/62/90/64/570629064.db2.gz HVYRTFFVHSWVSQ-AAZDMDIYSA-N 0 2 365.277 4.323 40 30 FIEBLN O=[N+]([O-])c1cccc(/C=N\c2ccc(Br)c3cccnc23)c1O ZINC000005344195 204205037 /nfs/dbraw/zinc/20/50/37/204205037.db2.gz XCKKZVQNAQTJIS-OCKHKDLRSA-N 0 2 372.178 4.362 40 30 FIEBLN Cc1ccc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000003184820 206159576 /nfs/dbraw/zinc/15/95/76/206159576.db2.gz KBSHBHNOGFHWMS-QGMBQPNBSA-N 0 2 354.262 4.328 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3[N+](=O)[O-])nc1-2 ZINC000409044489 570715852 /nfs/dbraw/zinc/71/58/52/570715852.db2.gz VJRLYMCQDDVGKL-GRSHGNNSSA-N 0 2 351.387 4.382 40 30 FIEBLN O=[N+]([O-])c1cc(/C=N\c2ccc(Br)cn2)c(O)c2ccccc21 ZINC000034097992 571085507 /nfs/dbraw/zinc/08/55/07/571085507.db2.gz ZKYVIQPYXMVAHE-LSCVHKIXSA-N 0 2 372.178 4.362 40 30 FIEBLN CCc1nnc(C2=C(O)C(=Cc3c(F)cccc3Cl)SC2=N)s1 ZINC000033778192 571310635 /nfs/dbraw/zinc/31/06/35/571310635.db2.gz AKOIMASRGOCUIT-KFMFNYJESA-N 0 2 367.858 4.311 40 30 FIEBLN C/C(=N\c1ccc(N)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100370386 570503313 /nfs/dbraw/zinc/50/33/13/570503313.db2.gz YXEPXOUVZGLYDD-MFKUBSTISA-N 0 2 369.424 4.419 40 30 FIEBLN CCCCn1c2ccccc2nc1/N=C/c1cc(OC)cc([N+](=O)[O-])c1O ZINC000019419159 570888419 /nfs/dbraw/zinc/88/84/19/570888419.db2.gz LLININHXYHDVJN-UDWIEESQSA-N 0 2 368.393 4.209 40 30 FIEBLN N#C[C@H](C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001624661 204015030 /nfs/dbraw/zinc/01/50/30/204015030.db2.gz COENYRMXXJLMLM-LBPRGKRZSA-N 0 2 367.619 4.462 40 30 FIEBLN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cccc([N+](=O)[O-])c2O)c1 ZINC000006263834 263344595 /nfs/dbraw/zinc/34/45/95/263344595.db2.gz JSKAEGHBILUTRI-VXLYETTFSA-N 0 2 361.785 4.443 40 30 FIEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC(C)C)cc3)SC2=N)s1 ZINC000137192895 570631041 /nfs/dbraw/zinc/63/10/41/570631041.db2.gz SDBQEXZLGRPNQL-LIJALFLSSA-N 0 2 373.503 4.306 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3cccc([N+](=O)[O-])c3)nc1-2 ZINC000409043913 1084350158 /nfs/dbraw/zinc/35/01/58/1084350158.db2.gz FUYCWBKYRPWZJR-GRSHGNNSSA-N 0 2 351.387 4.382 40 30 FIEBLN CCOC(=O)C(C#N)[C@@H](c1ccco1)[C@H]1c2ccccc2SC1=S ZINC000137651830 570450301 /nfs/dbraw/zinc/45/03/01/570450301.db2.gz DFQWBJXAXWCZQR-UHOFOFEASA-N 0 2 357.456 4.283 40 30 FIEBLN CCN(CC)c1ccc(/C=N/c2cccc(-c3n[nH]c(=N)s3)c2)cc1 ZINC000408718456 570672971 /nfs/dbraw/zinc/67/29/71/570672971.db2.gz YMQHCUQRIQTYBR-FYJGNVAPSA-N 0 2 351.479 4.214 40 30 FIEBLN O=[N+]([O-])c1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O ZINC000409095068 570721098 /nfs/dbraw/zinc/72/10/98/570721098.db2.gz HCLXVSOHRLBVPH-FRKPEAEDSA-N 0 2 355.575 4.467 40 30 FIEBLN N=C1SC(=Cc2cccc(Br)c2)C(O)=C1c1nccs1 ZINC000108218089 571310943 /nfs/dbraw/zinc/31/09/43/571310943.db2.gz HVYRTFFVHSWVSQ-YHXJBOQGSA-N 0 2 365.277 4.323 40 30 FIEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000003042677 571343996 /nfs/dbraw/zinc/34/39/96/571343996.db2.gz DUCOLNPORBMRRQ-SRZZPIQSSA-N 0 2 360.329 4.254 40 30 FIEBLN COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1Br ZINC000004808190 207049557 /nfs/dbraw/zinc/04/95/57/207049557.db2.gz SMCXTJBQMQBLHX-CMDGGOBGSA-N 0 2 363.207 4.068 40 30 FIEBLN O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)cc(Br)c1O ZINC000032116902 208024921 /nfs/dbraw/zinc/02/49/21/208024921.db2.gz WLBSIGVQGNNDOO-UHFFFAOYSA-N 0 2 363.594 4.271 40 30 FIEBLN CCCCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1OC ZINC000032115565 208025710 /nfs/dbraw/zinc/02/57/10/208025710.db2.gz MEXMOXTVPRIINU-UDWIEESQSA-N 0 2 371.393 4.188 40 30 FIEBLN CC(C)(C)c1ccc(OCCN2c3ccc(Cl)cc3/C(=N/O)C2=O)cc1 ZINC000039854137 208214950 /nfs/dbraw/zinc/21/49/50/208214950.db2.gz RVVLBYAFLZOJDH-PYCFMQQDSA-N 0 2 372.852 4.241 40 30 FIEBLN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000006263833 263344501 /nfs/dbraw/zinc/34/45/01/263344501.db2.gz DZKFFRMWNVOWRA-VXLYETTFSA-N 0 2 361.785 4.443 40 30 FIEBLN C/N=C1\SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 ZINC000015231149 518573888 /nfs/dbraw/zinc/57/38/88/518573888.db2.gz AMHDRHWKOJDYJO-UNEBPCJRSA-N 0 2 373.522 4.011 40 30 FIEBLN C/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 ZINC000015231149 518573896 /nfs/dbraw/zinc/57/38/96/518573896.db2.gz AMHDRHWKOJDYJO-UNEBPCJRSA-N 0 2 373.522 4.011 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)cc3OC)nc1-2 ZINC000409044838 263519331 /nfs/dbraw/zinc/51/93/31/263519331.db2.gz DQIKSELCYWFGHI-NHDPSOOVSA-N 0 2 366.442 4.491 40 30 FIEBLN CCOC(=O)C(C#N)[C@@H](c1ccco1)[C@@H]1c2ccccc2SC1=S ZINC000016682118 209599968 /nfs/dbraw/zinc/59/99/68/209599968.db2.gz DFQWBJXAXWCZQR-KCXAZCMYSA-N 0 2 357.456 4.283 40 30 FIEBLN O=C1/C(=N\O)c2cc(Cl)ccc2N1CCOc1ccc2ccccc2c1 ZINC000101102035 209222107 /nfs/dbraw/zinc/22/21/07/209222107.db2.gz UKNUYOLOFNRBMU-QOCHGBHMSA-N 0 2 366.804 4.097 40 30 FIEBLN Cc1ccc(S(=O)(=O)N=C(O)Nc2cc(Cl)c(Cl)cc2C)cc1 ZINC000001738943 570506366 /nfs/dbraw/zinc/50/63/66/570506366.db2.gz RYIGVYDKPGGPQM-UHFFFAOYSA-N 0 2 373.261 4.325 40 30 FIEBLN N=c1[nH]nc(-c2cccc(/N=C/c3ccc(Br)cc3)c2)s1 ZINC000408718312 570672689 /nfs/dbraw/zinc/67/26/89/570672689.db2.gz RIBLCZUJRJFFOW-GIJQJNRQSA-N 0 2 359.252 4.131 40 30 FIEBLN CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cccc(C)c21 ZINC000101101711 520259673 /nfs/dbraw/zinc/25/96/73/520259673.db2.gz PQCXGMBFXSLPPO-QOCHGBHMSA-N 0 2 352.434 4.289 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C/c3cc(OC)ccc3OC)nc1-2 ZINC000018057847 570874852 /nfs/dbraw/zinc/87/48/52/570874852.db2.gz FDCPANQRVFWJLQ-SRZZPIQSSA-N 0 2 366.442 4.491 40 30 FIEBLN CCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1 ZINC000033474956 571310609 /nfs/dbraw/zinc/31/06/09/571310609.db2.gz ZQQSIQDECSYIGY-SMTGANQKSA-N 0 2 373.503 4.307 40 30 FIEBLN COc1ccc(Cl)cc1C=C1SC(=N)C(c2nccs2)=C1O ZINC000137757015 571311048 /nfs/dbraw/zinc/31/10/48/571311048.db2.gz SOFXXEIBNKUFMQ-LVUZNEBMSA-N 0 2 350.852 4.223 40 30 FIEBLN CCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1 ZINC000137661658 571311059 /nfs/dbraw/zinc/31/10/59/571311059.db2.gz ZQQSIQDECSYIGY-CZGNVTRDSA-N 0 2 373.503 4.307 40 30 FIEBLN CCn1c2ccccc2c(O)c(/C=N/c2cccc3cccc(N)c32)c1=O ZINC000103461968 222337217 /nfs/dbraw/zinc/33/72/17/222337217.db2.gz DZGICJYTTNNELL-ZMOGYAJESA-N 0 2 357.413 4.213 40 30 FIEBLN O=[N+]([O-])c1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O ZINC000408905369 570696987 /nfs/dbraw/zinc/69/69/87/570696987.db2.gz XYOIEAAEIAHPRN-FRKPEAEDSA-N 0 2 355.575 4.467 40 30 FIEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC(C)C)cc3)SC2=N)s1 ZINC000108052419 571311052 /nfs/dbraw/zinc/31/10/52/571311052.db2.gz SDBQEXZLGRPNQL-XDNJSQOTSA-N 0 2 373.503 4.306 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc4c(c3)OCO4)nc1-2 ZINC000409049776 263520028 /nfs/dbraw/zinc/52/00/28/263520028.db2.gz YOJSXPQRWPZGRS-UKWGHVSLSA-N 0 2 350.399 4.202 40 30 FIEBLN CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(C)c32)cc1 ZINC000101101727 520252919 /nfs/dbraw/zinc/25/29/19/520252919.db2.gz VDJHTHVSZOBYHL-QOCHGBHMSA-N 0 2 352.434 4.289 40 30 FIEBLN N#C[C@@H](C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000006512613 570648471 /nfs/dbraw/zinc/64/84/71/570648471.db2.gz COENYRMXXJLMLM-GFCCVEGCSA-N 0 2 367.619 4.462 40 30 FIEBLN Oc1c(Br)cc(C=NNc2ccccc2)cc1Br ZINC000004280570 570894331 /nfs/dbraw/zinc/89/43/31/570894331.db2.gz KTYPVLPVTXIKSO-LZYBPNLTSA-N 0 2 370.044 4.363 40 30 FIEBLN N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000001613798 210361449 /nfs/dbraw/zinc/36/14/49/210361449.db2.gz VWTGJKGXJRKZBQ-CYBMUJFWSA-N 0 2 366.726 4.174 40 30 FIEBLN N#C[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000001613798 210361452 /nfs/dbraw/zinc/36/14/52/210361452.db2.gz VWTGJKGXJRKZBQ-CYBMUJFWSA-N 0 2 366.726 4.174 40 30 FIEBLN Cc1cccc2c1N(CCCOc1ccc3ccccc3c1)C(=O)/C2=N\O ZINC000101101806 222261726 /nfs/dbraw/zinc/26/17/26/222261726.db2.gz SZVDVKJXDQQDNJ-ATJXCDBQSA-N 0 2 360.413 4.142 40 30 FIEBLN Oc1c(Cl)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1Cl ZINC000409055502 263521381 /nfs/dbraw/zinc/52/13/81/263521381.db2.gz CGJMKMAFQWDKSF-QGMBQPNBSA-N 0 2 365.245 4.128 40 30 FIEBLN Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 ZINC000101101686 526136214 /nfs/dbraw/zinc/13/62/14/526136214.db2.gz ONLOYWQLKAKWJH-ATJXCDBQSA-N 0 2 366.461 4.287 40 30 FIEBLN CCOC(=O)C(C#N)[C@H](c1ccco1)[C@@H]1c2ccccc2SC1=S ZINC000016682115 220190922 /nfs/dbraw/zinc/19/09/22/220190922.db2.gz DFQWBJXAXWCZQR-MAZHCROVSA-N 0 2 357.456 4.283 40 30 FIEBLN N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000006513962 570648293 /nfs/dbraw/zinc/64/82/93/570648293.db2.gz VWTGJKGXJRKZBQ-ZDUSSCGKSA-N 0 2 366.726 4.174 40 30 FIEBLN N#C[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000006513962 570648297 /nfs/dbraw/zinc/64/82/97/570648297.db2.gz VWTGJKGXJRKZBQ-ZDUSSCGKSA-N 0 2 366.726 4.174 40 30 FIEBLN C/N=C1\SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 ZINC000015231151 518573176 /nfs/dbraw/zinc/57/31/76/518573176.db2.gz AMHDRHWKOJDYJO-QBEKEKFNSA-N 0 2 373.522 4.011 40 30 FIEBLN C/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C1CCCC1 ZINC000015231151 518573184 /nfs/dbraw/zinc/57/31/84/518573184.db2.gz AMHDRHWKOJDYJO-QBEKEKFNSA-N 0 2 373.522 4.011 40 30 FIEBLN CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000032115526 571057090 /nfs/dbraw/zinc/05/70/90/571057090.db2.gz NGIWMVHOKRMQFO-UDWIEESQSA-N 0 2 371.393 4.188 40 30 FIEBLN N=C1SC(=Cc2ccc(Br)cc2)C(O)=C1c1nccs1 ZINC000136259407 570629360 /nfs/dbraw/zinc/62/93/60/570629360.db2.gz XCFOFMCPHITVKS-AAZDMDIYSA-N 0 2 365.277 4.323 40 30 FIEBLN N=C1SC(=Cc2ccc(N3CCCCC3)o2)C(O)=C1c1nccs1 ZINC000137681855 571311037 /nfs/dbraw/zinc/31/10/37/571311037.db2.gz UJZUJYRXXSSNIV-CELURBQWSA-N 0 2 359.476 4.144 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(OC)c3O)nc1-2 ZINC000409053303 263520065 /nfs/dbraw/zinc/52/00/65/263520065.db2.gz BUSAUNDGGNNNAL-JMIUGGIZSA-N 0 2 352.415 4.188 40 30 FIEBLN COc1cc(OC)c(C(=O)/C=C\c2ccccc2)c(O)c1Br ZINC000017328411 220214395 /nfs/dbraw/zinc/21/43/95/220214395.db2.gz SMCXTJBQMQBLHX-HJWRWDBZSA-N 0 2 363.207 4.068 40 30 FIEBLN CC(C)CCOc1ccc(CN2c3ccc(Cl)cc3/C(=N/O)C2=O)cc1 ZINC000101101981 222262628 /nfs/dbraw/zinc/26/26/28/222262628.db2.gz CDAVIJIHHGYESD-QOCHGBHMSA-N 0 2 372.852 4.490 40 30 FIEBLN Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc2ccccc2c1 ZINC000101101690 526136804 /nfs/dbraw/zinc/13/68/04/526136804.db2.gz BIFYWCMWCNYPDT-LNVKXUELSA-N 0 2 360.413 4.142 40 30 FIEBLN O=C(/C(=N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000035610661 527590877 /nfs/dbraw/zinc/59/08/77/527590877.db2.gz PBZNGJYVUFNWDN-DAEAJKMYSA-N 0 2 373.368 4.007 40 30 FIEBLN Oc1c(Cl)cc(Cl)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038405 570715182 /nfs/dbraw/zinc/71/51/82/570715182.db2.gz OVFQPKWDQDFIAR-DYUKFFQPSA-N 0 2 373.055 4.413 40 30 FIEBLN C/C(=N\c1cccc(N)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100370391 222243411 /nfs/dbraw/zinc/24/34/11/222243411.db2.gz UGRZIYPMFJDUFD-MFKUBSTISA-N 0 2 369.424 4.419 40 30 FIEBLN CCOC(=O)C(C#N)[C@H](c1ccco1)[C@@H]1c2ccccc2SC1=S ZINC000016682116 220190953 /nfs/dbraw/zinc/19/09/53/220190953.db2.gz DFQWBJXAXWCZQR-WQVCFCJDSA-N 0 2 357.456 4.283 40 30 FIEBLN COc1ccc(Cl)cc1C=C1SC(=N)C(c2nccs2)=C1O ZINC000108155133 571310976 /nfs/dbraw/zinc/31/09/76/571310976.db2.gz SOFXXEIBNKUFMQ-HGAWGFJMSA-N 0 2 350.852 4.223 40 30 FIEBLN O=c1c2ccccc2nc2c(/C=N\c3cccc(Cl)c3Cl)c[nH]n21 ZINC000016525249 220186229 /nfs/dbraw/zinc/18/62/29/220186229.db2.gz JXUZIDOZLSPULV-ZBKNUEDVSA-N 0 2 357.200 4.233 40 30 FIEBLN CCCCCCCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1 ZINC000588229111 570782932 /nfs/dbraw/zinc/78/29/32/570782932.db2.gz FJLCLDJFYKVSNY-UHFFFAOYSA-N 0 2 360.483 4.265 40 30 FIEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(OCC(F)(F)C(F)F)cc2)c1 ZINC000003092230 571344664 /nfs/dbraw/zinc/34/46/64/571344664.db2.gz IWBWHZOPANCIHP-ODCIPOBUSA-N 0 2 372.274 4.330 40 30 FIEBLN CCOC(=O)C(C#N)[C@H](c1ccco1)[C@H]1c2ccccc2SC1=S ZINC000137651663 570450312 /nfs/dbraw/zinc/45/03/12/570450312.db2.gz DFQWBJXAXWCZQR-DAXOMENPSA-N 0 2 357.456 4.283 40 30 FIEBLN Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409032245 570714713 /nfs/dbraw/zinc/71/47/13/570714713.db2.gz MBRXNUQHMHFFDP-DYUKFFQPSA-N 0 2 373.055 4.413 40 30 FIEBLN COc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1Br ZINC000006825465 570655360 /nfs/dbraw/zinc/65/53/60/570655360.db2.gz AIWFORLDNXZORU-CAOOACKPSA-N 0 2 365.183 4.131 40 30 FIEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3cc(OC)ccc3OC)nc1-2 ZINC000103576932 571310787 /nfs/dbraw/zinc/31/07/87/571310787.db2.gz FDCPANQRVFWJLQ-NHDPSOOVSA-N 0 2 366.442 4.491 40 30 FIEBLN