smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1-n1c(O)c(C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000100404977 132232591 /nfs/dbraw/zinc/23/25/91/132232591.db2.gz ROCBOALUKPLHFC-WUKNDPDISA-N 0 2 366.373 2.946 2 0 FFAFLN CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F ZINC000001856265 204020434 /nfs/dbraw/zinc/02/04/34/204020434.db2.gz WUWDHQPLLZPRAK-CYBMUJFWSA-N 0 2 354.275 2.725 1 0 FFAFLN O=C([O-])c1ccc2ccccc2c1CCCn1c[nH+]c2c1NC=NC[C@@H]2O ZINC000013807509 204554341 /nfs/dbraw/zinc/55/43/41/204554341.db2.gz NSZCHJJJAXDYNF-KRWDZBQOSA-N 0 2 364.405 2.855 1 0 FFAFLN COc1cc(=O)c2c(O)c(OC)c(-c3cc(OC)c(OC)cc3O)oc-2c1 ZINC000014436490 560221386 /nfs/dbraw/zinc/22/13/86/560221386.db2.gz GNJVUACZJGJODM-UHFFFAOYSA-N 0 2 374.345 2.906 1 0 biogenic,in-vitro FFAFLN CC1(C)Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2C[C@H]1O ZINC000015262018 291057831 /nfs/dbraw/zinc/05/78/31/291057831.db2.gz UFWHTSBKDGUFOX-OAHLLOKOSA-N 0 2 370.357 2.651 1 0 endogenous,in-man FFAFLN O=C1N[C@@H](c2ccccc2)C(=C(O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000011859141 206286801 /nfs/dbraw/zinc/28/68/01/206286801.db2.gz OXRRYKXYECAQSB-TYNCELHUSA-N 0 2 370.352 2.852 1 0 FFAFLN Cn1c2cn(-c3ccccc3S)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000061920898 205289005 /nfs/dbraw/zinc/28/90/05/205289005.db2.gz VQNAPYDINZSJDS-UHFFFAOYSA-N 0 2 363.442 2.984 3 0 FFAFLN O=C(O)c1c2scc3n2c2c(cc(F)c(N4CCCC4)c2OC3)c1=O ZINC000150580007 209385625 /nfs/dbraw/zinc/38/56/25/209385625.db2.gz HYUVLEMKVWSDAT-UHFFFAOYSA-N 0 2 360.366 2.844 1 0 FFAFLN O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000103284972 209252388 /nfs/dbraw/zinc/25/23/88/209252388.db2.gz BIBXOLJIONCAKX-QMMMGPOBSA-N 0 2 368.827 2.539 1 0 FFAFLN Cc1c(N2CCC[C@H](CO)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027550281 132916444 /nfs/dbraw/zinc/91/64/44/132916444.db2.gz QYVUNZXAOSMGRK-ZDUSSCGKSA-N 0 2 356.422 2.552 1 0 FFAFLN C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3cc2OC1(C)C ZINC000015267014 291055478 /nfs/dbraw/zinc/05/54/78/291055478.db2.gz KKDRQZCQNSHBHY-MGDKSHQASA-N 0 2 374.389 2.582 1 0 biogenic,in-vitro FFAFLN O=c1nc(CN2CCOCC2)[nH]c2cc(-c3c[nH]c4ccccc43)sc21 ZINC000096909539 209160311 /nfs/dbraw/zinc/16/03/11/209160311.db2.gz PBAADYUWPYCXRE-UHFFFAOYSA-N 0 2 366.446 2.965 1 0 FFAFLN CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCCC5)c1c4n23 ZINC000150563488 132252276 /nfs/dbraw/zinc/25/22/76/132252276.db2.gz CSALMZYNSGMYFM-UHFFFAOYSA-N 0 2 373.409 2.902 1 0 FFAFLN O=c1[nH]c(-c2ccc(NS(=O)(=O)c3cccs3)c(O)c2)cs1 ZINC000095601508 209085357 /nfs/dbraw/zinc/08/53/57/209085357.db2.gz IRHWTKUUHQJNEM-UHFFFAOYSA-N 0 2 354.434 2.671 1 0 FFAFLN CCCCN1C(=O)NC(=O)C(=C(O)C=Cc2c[nH]c3ccccc23)C1=O ZINC000100593966 209215348 /nfs/dbraw/zinc/21/53/48/209215348.db2.gz OQLXZBCHTNEOPS-DBQILDTASA-N 0 2 353.378 2.872 3 0 FFAFLN O=C1Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)cc3c2N1CCC3 ZINC000004270410 207008856 /nfs/dbraw/zinc/00/88/56/207008856.db2.gz NIMIYDYZJAXSII-UHFFFAOYSA-N 0 2 364.373 2.601 3 0 FFAFLN C/C(=C\Cc1c(O)cc2oc(-c3ccc(O)cc3O)cc(O)c-2c1=O)CO ZINC000095552511 209079262 /nfs/dbraw/zinc/07/92/62/209079262.db2.gz GGNFRQNGJUKIKW-WTDSWWLTSA-N 0 2 370.357 2.764 1 0 FFAFLN O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000096916342 209161952 /nfs/dbraw/zinc/16/19/52/209161952.db2.gz VQOKWGNGONANPR-JTQLQIEISA-N 0 2 351.384 2.629 1 0 FFAFLN Cn1ncc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21 ZINC000068204776 208745568 /nfs/dbraw/zinc/74/55/68/208745568.db2.gz IINNYDBIZMTPEV-UHFFFAOYSA-N 0 2 351.337 2.774 1 0 FFAFLN COc1cc(=O)c2c(O)c(OC)c(-c3cc(O)c(OC)cc3OC)oc-2c1 ZINC000014436489 211092905 /nfs/dbraw/zinc/09/29/05/211092905.db2.gz DCBXANRVINYQLF-UHFFFAOYSA-N 0 2 374.345 2.906 1 0 biogenic,in-vitro FFAFLN COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(OC)c32)cc1 ZINC000096906834 222138130 /nfs/dbraw/zinc/13/81/30/222138130.db2.gz WRQOOCMTJMFIRG-UHFFFAOYSA-N 0 2 357.337 2.904 1 0 FFAFLN O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000103284956 222331615 /nfs/dbraw/zinc/33/16/15/222331615.db2.gz JNBTXWKHPDYFOE-QMMMGPOBSA-N 0 2 368.827 2.539 1 0 FFAFLN Cc1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)[nH]c1=O ZINC000013637272 211044295 /nfs/dbraw/zinc/04/42/95/211044295.db2.gz KJKHBRAIWVBQQD-UHFFFAOYSA-N 0 2 361.452 2.767 3 0 FFAFLN C/C=C(/C)C(=O)O[C@H]1Cc2c(O)c3c(=O)cc(CO)oc3cc2OC1(C)C ZINC000015267016 211126228 /nfs/dbraw/zinc/12/62/28/211126228.db2.gz KKDRQZCQNSHBHY-AVFOEOQDSA-N 0 2 374.389 2.582 1 0 biogenic,in-vitro FFAFLN CCOc1ccc(NS(=O)(=O)c2cccc3c2cccc3N(C)C)nn1 ZINC000013761363 211058858 /nfs/dbraw/zinc/05/88/58/211058858.db2.gz QWTLDQHYZZGSAB-UHFFFAOYSA-N 0 2 372.450 2.895 1 0 FFAFLN O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2F)cs1 ZINC000096916370 222138572 /nfs/dbraw/zinc/13/85/72/222138572.db2.gz PRFSWPFDEMBFFY-JTQLQIEISA-N 0 2 351.384 2.629 1 0 FFAFLN O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2F)cs1 ZINC000096916368 222138427 /nfs/dbraw/zinc/13/84/27/222138427.db2.gz PRFSWPFDEMBFFY-SNVBAGLBSA-N 0 2 351.384 2.629 1 0 FFAFLN CN(C)c1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C ZINC000101210485 222264710 /nfs/dbraw/zinc/26/47/10/222264710.db2.gz HUCKXVMPBACWLN-UHFFFAOYSA-N 0 2 351.406 2.587 1 0 FFAFLN COc1ccc(C(=O)C2=C(O)c3cc(OC)c(OC)cc3C2)cc1OC ZINC000101323978 222270680 /nfs/dbraw/zinc/27/06/80/222270680.db2.gz KRKPKRZYAMBZCV-AWEZNQCLSA-N 0 2 356.374 2.959 1 0 FFAFLN CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1OCc1ccccc1 ZINC000013110446 220057436 /nfs/dbraw/zinc/05/74/36/220057436.db2.gz CCDVHOPGVALFAG-UHFFFAOYSA-N 0 2 356.330 2.960 3 0 FFAFLN CC(C)(O)[C@@H]1Cc2c(c(-c3coc4cc(O)cc(=O)c-4c3O)ccc2O)O1 ZINC000013864662 220097977 /nfs/dbraw/zinc/09/79/77/220097977.db2.gz ONQRNGWXVWFLDX-INIZCTEOSA-N 0 2 370.357 2.651 1 0 FFAFLN CC(C)(O)[C@@H]1Cc2c(c(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)O1 ZINC000013864662 220097981 /nfs/dbraw/zinc/09/79/81/220097981.db2.gz ONQRNGWXVWFLDX-INIZCTEOSA-N 0 2 370.357 2.651 1 0 FFAFLN CC(C)c1cccc(C(=O)[O-])c1CCCn1c[nH+]c2c1NC=NC[C@@H]2O ZINC000013807502 220095597 /nfs/dbraw/zinc/09/55/97/220095597.db2.gz WCWQUDJXNHTWQN-INIZCTEOSA-N 0 2 356.426 2.825 1 0 FFAFLN CC(C)c1cccc(C(=O)[O-])c1SCCn1c[nH+]c2c1NC=NC[C@@H]2O ZINC000013807521 220096168 /nfs/dbraw/zinc/09/61/68/220096168.db2.gz DVADQLJWEGAWJS-AWEZNQCLSA-N 0 2 374.466 2.984 1 0 FFAFLN COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(O)c1OC ZINC000014436780 220124748 /nfs/dbraw/zinc/12/47/48/220124748.db2.gz YTYFGDJADQYGLC-UHFFFAOYSA-N 0 2 360.318 2.603 1 0 in-vitro FFAFLN COc1cc(=O)c2c(O)c(OC)c(-c3cc(O)c(OC)c(O)c3)oc-2c1 ZINC000014436788 220124372 /nfs/dbraw/zinc/12/43/72/220124372.db2.gz XWQRPAOBLCGIRQ-UHFFFAOYSA-N 0 2 360.318 2.603 1 0 FFAFLN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=C(O)C=Cc1ccccc1 ZINC000101816885 222286176 /nfs/dbraw/zinc/28/61/76/222286176.db2.gz FXQYSNXQELVSLT-DFQUBZKKSA-N 0 2 362.385 2.833 3 0 aggregator FFAFLN O=c1c2cc(I)ccc2nc(-c2cccs2)n1O ZINC000001663526 219415665 /nfs/dbraw/zinc/41/56/65/219415665.db2.gz PWXOVFJGQMENIX-UHFFFAOYSA-N 0 2 370.171 2.967 1 0 FFAFLN Cc1c(O)c(C=O)c(=O)c2c(O)c(Cc3ccc4c(c3)OCO4)coc1-2 ZINC000013310195 291064254 /nfs/dbraw/zinc/06/42/54/291064254.db2.gz RTHZSGZAVUIROF-UHFFFAOYSA-N 0 2 354.314 2.645 1 0 biogenic,in-vitro FFAFLN C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 ZINC000049748494 136123905 /nfs/dbraw/zinc/12/39/05/136123905.db2.gz XITMABSZYZIVCB-JTQLQIEISA-N 0 2 359.451 2.559 1 0 FFAFLN CCOc1ccccc1-n1c(O)c(C(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000100404971 132232849 /nfs/dbraw/zinc/23/28/49/132232849.db2.gz DORARILCRUGAFF-FOCLMDBBSA-N 0 2 352.346 2.637 2 0 FFAFLN COC(=O)C=Cc1c(O)cc2oc(-c3ccc(O)cc3)cc(O)c-2c1=O ZINC000095909454 291060086 /nfs/dbraw/zinc/06/00/86/291060086.db2.gz ZYGRRQHXBIRCRU-VOTSOKGWSA-N 0 2 354.314 2.763 1 0 biogenic,in-vitro FFAFLN Cc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)o1 ZINC000001480297 204010020 /nfs/dbraw/zinc/01/00/20/204010020.db2.gz NICRJXXZPLAFMD-WDMOLILDSA-N 0 2 374.340 2.753 1 0 FFAFLN C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 ZINC000049748493 136123963 /nfs/dbraw/zinc/12/39/63/136123963.db2.gz XITMABSZYZIVCB-SNVBAGLBSA-N 0 2 359.451 2.559 1 0 FFAFLN CCNC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=[NH+]CCc3ccccc32)C1 ZINC000049590521 205174510 /nfs/dbraw/zinc/17/45/10/205174510.db2.gz WYDCDWZPWHOLMQ-HOTGVXAUSA-N 0 2 357.454 2.564 1 0 FFAFLN CCOC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084758895 132199250 /nfs/dbraw/zinc/19/92/50/132199250.db2.gz QXFDPMCSDJQLEK-LBPRGKRZSA-N 0 2 354.366 2.768 1 0 FFAFLN CCOC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084758894 132199114 /nfs/dbraw/zinc/19/91/14/132199114.db2.gz QXFDPMCSDJQLEK-GFCCVEGCSA-N 0 2 354.366 2.768 1 0 FFAFLN Cc1nn(-c2nc(C)c(Br)c(=O)[nH]2)c(C)c1Br ZINC000103189253 209248605 /nfs/dbraw/zinc/24/86/05/209248605.db2.gz XSRALKWKAAJACR-UHFFFAOYSA-N 0 2 362.025 2.818 1 0 FFAFLN COc1ccc(CCn2c(=O)cc(O)n(CCc3ccccc3)c2=O)cc1 ZINC000102843869 209242426 /nfs/dbraw/zinc/24/24/26/209242426.db2.gz NRBRWFADFZINOI-UHFFFAOYSA-N 0 2 366.417 2.661 1 0 FFAFLN COc1ccc(CCn2c(O)cc(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000102843869 209242430 /nfs/dbraw/zinc/24/24/30/209242430.db2.gz NRBRWFADFZINOI-UHFFFAOYSA-N 0 2 366.417 2.661 1 0 FFAFLN Cc1c(O)c2c(O)c(Cc3ccc4c(c3)OCO4)coc-2c(C=O)c1=O ZINC000013481919 291064272 /nfs/dbraw/zinc/06/42/72/291064272.db2.gz MNAZQDBGIVJQLS-UHFFFAOYSA-N 0 2 354.314 2.645 1 0 biogenic,in-vitro FFAFLN O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c3c(c21)O[C@H](CCO)CC3 ZINC000085569496 291064918 /nfs/dbraw/zinc/06/49/18/291064918.db2.gz IEYZRXXFPOGRTP-LBPRGKRZSA-N 0 2 370.357 2.653 1 0 biogenic,in-vitro FFAFLN CC1(CCc2c(O)c3cccnc3n(-c3ccccc3)c2=O)OCCO1 ZINC000100818137 209219504 /nfs/dbraw/zinc/21/95/04/209219504.db2.gz LDDOPSZHXULJHU-UHFFFAOYSA-N 0 2 352.390 2.787 1 0 FFAFLN O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000096916340 209161453 /nfs/dbraw/zinc/16/14/53/209161453.db2.gz VQOKWGNGONANPR-SNVBAGLBSA-N 0 2 351.384 2.629 1 0 FFAFLN COc1cc(=O)c2c(O)c(OC)c(-c3cc(OC)c(O)cc3O)oc-2c1 ZINC000014436487 220124638 /nfs/dbraw/zinc/12/46/38/220124638.db2.gz FJFLYDSOXABNGE-UHFFFAOYSA-N 0 2 360.318 2.603 1 0 FFAFLN CC(C)(O)[C@@H]1Cc2c(ccc(-c3coc4cc(O)cc(=O)c-4c3O)c2O)O1 ZINC000013864656 211063708 /nfs/dbraw/zinc/06/37/08/211063708.db2.gz FEZXFNWSKGIOKM-INIZCTEOSA-N 0 2 370.357 2.651 1 0 FFAFLN CC(C)(O)[C@@H]1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1 ZINC000013864656 211063716 /nfs/dbraw/zinc/06/37/16/211063716.db2.gz FEZXFNWSKGIOKM-INIZCTEOSA-N 0 2 370.357 2.651 1 0 FFAFLN COc1cccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)c1OC ZINC000014436574 291063094 /nfs/dbraw/zinc/06/30/94/291063094.db2.gz DSNICWRJCXGVEE-UHFFFAOYSA-N 0 2 374.345 2.906 1 0 biogenic,in-vitro FFAFLN Cn1cc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc2n1 ZINC000071418556 221347188 /nfs/dbraw/zinc/34/71/88/221347188.db2.gz KDEYNBKAOJCRCD-UHFFFAOYSA-N 0 2 351.337 2.774 1 0 FFAFLN O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000103284969 222332671 /nfs/dbraw/zinc/33/26/71/222332671.db2.gz BIBXOLJIONCAKX-MRVPVSSYSA-N 0 2 368.827 2.539 1 0 FFAFLN COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1OC ZINC000001635008 210226227 /nfs/dbraw/zinc/22/62/27/210226227.db2.gz QCOSAYZZNVASNN-UHFFFAOYSA-N 0 2 374.345 2.906 1 0 endogenous,in-man FFAFLN CC1(C)Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2C[C@@H]1O ZINC000015215982 210181580 /nfs/dbraw/zinc/18/15/80/210181580.db2.gz HUHGGORLMLOUCC-KRWDZBQOSA-N 0 2 354.358 2.946 1 0 FFAFLN CC(C)c1cccc(C(=O)[O-])c1SCCn1c[nH+]c2c1NC=NC[C@H]2O ZINC000013807524 220096250 /nfs/dbraw/zinc/09/62/50/220096250.db2.gz DVADQLJWEGAWJS-CQSZACIVSA-N 0 2 374.466 2.984 1 0 FFAFLN CC[C@H](O)COc1cc(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12 ZINC000085569494 291059949 /nfs/dbraw/zinc/05/99/49/291059949.db2.gz KRKUEWHVDHGJJR-NSHDSACASA-N 0 2 358.346 2.727 1 0 biogenic,in-vitro FFAFLN CCOc1ccccc1-n1c(O)c(C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000100404979 132232814 /nfs/dbraw/zinc/23/28/14/132232814.db2.gz ROCBOALUKPLHFC-MSUUIHNZSA-N 0 2 366.373 2.946 2 0 FFAFLN Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3cccnc32)cc1 ZINC000049070613 221019754 /nfs/dbraw/zinc/01/97/54/221019754.db2.gz HHIKSUGMZSRONC-UHFFFAOYSA-N 0 2 360.373 2.637 1 0 FFAFLN Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027552395 132916701 /nfs/dbraw/zinc/91/67/01/132916701.db2.gz SHNRRTSPZBPXFF-TXEJJXNPSA-N 0 2 356.422 2.957 1 0 FFAFLN CSc1ccc(C(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1 ZINC000025962743 220498994 /nfs/dbraw/zinc/49/89/94/220498994.db2.gz AHSGSKZYZFQYPJ-UHFFFAOYSA-N 0 2 373.821 2.527 1 0 FFAFLN Cc1cn(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4cccnc43)cc2)c[nH+]1 ZINC000049071835 221019593 /nfs/dbraw/zinc/01/95/93/221019593.db2.gz VXFLYKWETSEHQD-UHFFFAOYSA-N 0 2 360.373 2.637 1 0 FFAFLN O=C(O)c1cn(Cc2ccc3c(c2)CC[C@H]3O)c2cccc(F)c2c1=O ZINC000071341533 221345520 /nfs/dbraw/zinc/34/55/20/221345520.db2.gz AUISFPQBEJOBIF-QGZVFWFLSA-N 0 2 353.349 2.867 1 0 FFAFLN CCOc1ccccc1-n1c(O)c(C(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000100404974 132232823 /nfs/dbraw/zinc/23/28/23/132232823.db2.gz DORARILCRUGAFF-NXVVXOECSA-N 0 2 352.346 2.637 2 0 FFAFLN CC(C)(O)[C@H]1Cc2c(ccc(-c3coc4cc(O)cc(=O)c-4c3O)c2O)O1 ZINC000013864657 220098605 /nfs/dbraw/zinc/09/86/05/220098605.db2.gz FEZXFNWSKGIOKM-MRXNPFEDSA-N 0 2 370.357 2.651 1 0 FFAFLN CC(C)(O)[C@H]1Cc2c(ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O)O1 ZINC000013864657 220098607 /nfs/dbraw/zinc/09/86/07/220098607.db2.gz FEZXFNWSKGIOKM-MRXNPFEDSA-N 0 2 370.357 2.651 1 0 FFAFLN O=C([O-])c1cn(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccsc2c1=O ZINC000049072029 221018667 /nfs/dbraw/zinc/01/86/67/221018667.db2.gz WIWJJEQYHCZEJN-UHFFFAOYSA-N 0 2 351.387 2.995 1 0 FFAFLN