smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CSc2nc3ccccc3c3nc4ccccc4n32)cs1 ZINC000004246571 568376285 /nfs/dbraw/zinc/37/62/85/568376285.db2.gz YCKGTXASYFYDLG-UHFFFAOYSA-N 0 0 362.483 5.093 20 5 FKBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc4ccccc4c3)o2)cc1 ZINC000004886386 219618648 /nfs/dbraw/zinc/61/86/48/219618648.db2.gz GSVBCNOHAMBDOO-UHFFFAOYSA-N 0 0 363.398 5.090 20 5 FKBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000005242649 568383192 /nfs/dbraw/zinc/38/31/92/568383192.db2.gz JUDPMVCGHAORPO-UHFFFAOYSA-N 0 0 373.437 5.497 20 5 FKBDRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000005242917 568383213 /nfs/dbraw/zinc/38/32/13/568383213.db2.gz RNVMDIGZPYWJDF-UHFFFAOYSA-N 0 0 373.437 5.497 20 5 FKBDRN O=C(Nc1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005491086 206239662 /nfs/dbraw/zinc/23/96/62/206239662.db2.gz LRWBDRVYKJKDLD-UHFFFAOYSA-N 0 0 352.777 5.168 20 5 FKBDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005523003 204213714 /nfs/dbraw/zinc/21/37/14/204213714.db2.gz OBBWZIWPDSFQGZ-UHFFFAOYSA-N 0 0 360.841 5.747 20 5 FKBDRN Cc1ccc(Oc2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)cc1 ZINC000006261301 219722456 /nfs/dbraw/zinc/72/24/56/219722456.db2.gz LYCCTWPUZWZCLB-UHFFFAOYSA-N 0 0 362.385 5.256 20 5 FKBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006331768 204244332 /nfs/dbraw/zinc/24/43/32/204244332.db2.gz JYYOZZWWINVBKP-ZZXKWVIFSA-N 0 0 371.607 5.207 20 5 FKBDRN Cc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000006525652 568403466 /nfs/dbraw/zinc/40/34/66/568403466.db2.gz FOCZWNOMKKHRKH-UHFFFAOYSA-N 0 0 364.426 5.307 20 5 FKBDRN Cc1ccc(C)c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000006845027 210090396 /nfs/dbraw/zinc/09/03/96/210090396.db2.gz REYNJKANTYRVQT-CYBMUJFWSA-N 0 0 355.419 5.115 20 5 FKBDRN Cc1ccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000006845110 210090218 /nfs/dbraw/zinc/09/02/18/210090218.db2.gz PXVCARSXCRUSJY-CYBMUJFWSA-N 0 0 355.419 5.115 20 5 FKBDRN Cc1ccc(NC(=O)[C@H](SC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007091805 568167956 /nfs/dbraw/zinc/16/79/56/568167956.db2.gz UKDZTFPNTYLRJX-LJQANCHMSA-N 0 0 370.474 5.259 20 5 FKBDRN Cc1ccc(NC(=O)[C@@H](SC2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007091807 568167921 /nfs/dbraw/zinc/16/79/21/568167921.db2.gz UKDZTFPNTYLRJX-IBGZPJMESA-N 0 0 370.474 5.259 20 5 FKBDRN Cc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000007098927 568448157 /nfs/dbraw/zinc/44/81/57/568448157.db2.gz RNNHFMHUEWOGTQ-AWEZNQCLSA-N 0 0 353.447 5.070 20 5 FKBDRN Cc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000007098931 568448091 /nfs/dbraw/zinc/44/80/91/568448091.db2.gz RNNHFMHUEWOGTQ-CQSZACIVSA-N 0 0 353.447 5.070 20 5 FKBDRN O=[N+]([O-])c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)c(Cl)c1 ZINC000007171208 568462547 /nfs/dbraw/zinc/46/25/47/568462547.db2.gz SWNRGXAKHIIROE-UHFFFAOYSA-N 0 0 365.172 5.136 20 5 FKBDRN O=C(Nc1ccccc1)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007210339 568214536 /nfs/dbraw/zinc/21/45/36/568214536.db2.gz IRIHRBHKKBTHFV-UHFFFAOYSA-N 0 0 364.426 5.139 20 5 FKBDRN Cc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1[N+](=O)[O-] ZINC000007275052 568485073 /nfs/dbraw/zinc/48/50/73/568485073.db2.gz ZQIJMVFNHLUMMG-UHFFFAOYSA-N 0 0 367.455 5.227 20 5 FKBDRN Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c([N+](=O)[O-])c1 ZINC000007461860 568519167 /nfs/dbraw/zinc/51/91/67/568519167.db2.gz HFVFNPBLPKAAPZ-UHFFFAOYSA-N 0 0 370.449 5.168 20 5 FKBDRN CSc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000007668544 568251547 /nfs/dbraw/zinc/25/15/47/568251547.db2.gz NHKXHTJYFDOSBI-UHFFFAOYSA-N 0 0 372.490 5.816 20 5 FKBDRN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000007668910 204301478 /nfs/dbraw/zinc/30/14/78/204301478.db2.gz VCANNJICPSNOOE-UHFFFAOYSA-N 0 0 372.490 5.572 20 5 FKBDRN COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000007669051 203817387 /nfs/dbraw/zinc/81/73/87/203817387.db2.gz KWOURAROGNADNQ-UHFFFAOYSA-N 0 0 356.422 5.103 20 5 FKBDRN CC(=O)c1ccc(Oc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000007983619 206245921 /nfs/dbraw/zinc/24/59/21/206245921.db2.gz OKFJKAVAPZAWCD-UHFFFAOYSA-N 0 0 370.586 5.006 20 5 FKBDRN CC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000008063691 567870772 /nfs/dbraw/zinc/87/07/72/567870772.db2.gz FUAPNZCBAIJHRX-UHFFFAOYSA-N 0 0 361.444 5.068 20 5 FKBDRN CC(=O)c1ccc(Sc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000008120155 568189287 /nfs/dbraw/zinc/18/92/87/568189287.db2.gz VNOSDLYJLDARJH-UHFFFAOYSA-N 0 0 356.428 5.072 20 5 FKBDRN Cc1ccc(-c2csc3ncnc(Oc4ccccc4[N+](=O)[O-])c23)cc1 ZINC000008146700 568271517 /nfs/dbraw/zinc/27/15/17/568271517.db2.gz DZAUCIWNWNJBKP-UHFFFAOYSA-N 0 0 363.398 5.367 20 5 FKBDRN CC(=O)c1ccc(Oc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000008177761 209512214 /nfs/dbraw/zinc/51/22/14/209512214.db2.gz VKTQFYDVJQDECR-UHFFFAOYSA-N 0 0 370.586 5.006 20 5 FKBDRN C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000014075782 204563230 /nfs/dbraw/zinc/56/32/30/204563230.db2.gz DJEXYZRREJMPMS-CYBMUJFWSA-N 0 0 374.824 5.055 20 5 FKBDRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015643457 568250820 /nfs/dbraw/zinc/25/08/20/568250820.db2.gz GFSXYIDSCDWZDI-UHFFFAOYSA-N 0 0 373.412 5.088 20 5 FKBDRN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000015982751 220174404 /nfs/dbraw/zinc/17/44/04/220174404.db2.gz YSCDNEUGGYJWAN-UHFFFAOYSA-N 0 0 364.788 5.072 20 5 FKBDRN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016481762 210153724 /nfs/dbraw/zinc/15/37/24/210153724.db2.gz LKBYWXRPKHVJOM-SECBINFHSA-N 0 0 371.245 5.021 20 5 FKBDRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016481763 220185212 /nfs/dbraw/zinc/18/52/12/220185212.db2.gz LKBYWXRPKHVJOM-VIFPVBQESA-N 0 0 371.245 5.021 20 5 FKBDRN CCOc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000019005374 211200203 /nfs/dbraw/zinc/20/02/03/211200203.db2.gz CRXDSCGUISMCBI-UHFFFAOYSA-N 0 0 370.449 5.493 20 5 FKBDRN COc1ccc(-c2nc(CSc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000023103378 211375489 /nfs/dbraw/zinc/37/54/89/211375489.db2.gz HESMNLBAPMMQDJ-UHFFFAOYSA-N 0 0 358.444 5.019 20 5 FKBDRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000023109408 568272732 /nfs/dbraw/zinc/27/27/32/568272732.db2.gz AVJCDLBORHOQGW-CQSZACIVSA-N 0 0 358.463 5.146 20 5 FKBDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000023109410 568272748 /nfs/dbraw/zinc/27/27/48/568272748.db2.gz AVJCDLBORHOQGW-AWEZNQCLSA-N 0 0 358.463 5.146 20 5 FKBDRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023120093 204797426 /nfs/dbraw/zinc/79/74/26/204797426.db2.gz FJMNYSMYZRCLKT-UHFFFAOYSA-N 0 0 366.320 5.081 20 5 FKBDRN Cc1cccc(Oc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000023723367 211394752 /nfs/dbraw/zinc/39/47/52/211394752.db2.gz YXDZPXJOMUOWQO-UHFFFAOYSA-N 0 0 362.385 5.256 20 5 FKBDRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000025161778 220477422 /nfs/dbraw/zinc/47/74/22/220477422.db2.gz DRYXUBTVNPUVCV-INIZCTEOSA-N 0 0 367.232 5.029 20 5 FKBDRN CC(C)c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000027681727 204866451 /nfs/dbraw/zinc/86/64/51/204866451.db2.gz GDYVPLKZBYEGMJ-UHFFFAOYSA-N 0 0 364.854 5.102 20 5 FKBDRN O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000030060917 568308583 /nfs/dbraw/zinc/30/85/83/568308583.db2.gz AKGQEEJONBQSHD-UHFFFAOYSA-N 0 0 374.805 5.354 20 5 FKBDRN CC(C)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000031777921 220644440 /nfs/dbraw/zinc/64/44/40/220644440.db2.gz UQQJHKCNZRLTIQ-UHFFFAOYSA-N 0 0 367.430 5.094 20 5 FKBDRN CC(C)c1ccc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000031851492 568342116 /nfs/dbraw/zinc/34/21/16/568342116.db2.gz VTOUBGDRICYYFL-UHFFFAOYSA-N 0 0 355.419 5.061 20 5 FKBDRN Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000032531250 568393886 /nfs/dbraw/zinc/39/38/86/568393886.db2.gz HYQATUYZHXRMHE-UHFFFAOYSA-N 0 0 360.841 5.415 20 5 FKBDRN CN(Cc1ccccc1Cl)C(=O)c1cc2ccccc2c2cccnc12 ZINC000046762466 208369559 /nfs/dbraw/zinc/36/95/59/208369559.db2.gz CYFQFIZSUAUMKL-UHFFFAOYSA-N 0 0 360.844 5.314 20 5 FKBDRN O=[N+]([O-])c1ccc(-c2nc(-c3sccc3Br)cs2)cc1 ZINC000048640633 221014516 /nfs/dbraw/zinc/01/45/16/221014516.db2.gz CHSURTUDKPUHKS-UHFFFAOYSA-N 0 0 367.249 5.209 20 5 FKBDRN O=[N+]([O-])c1cccc(-c2nc(-c3sccc3Br)cs2)c1 ZINC000048640644 221014877 /nfs/dbraw/zinc/01/48/77/221014877.db2.gz UBJJLPIRJCJFPC-UHFFFAOYSA-N 0 0 367.249 5.209 20 5 FKBDRN C[C@H](Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000050004966 568654739 /nfs/dbraw/zinc/65/47/39/568654739.db2.gz VYCBGWRNCFSOAL-HNNXBMFYSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@@H](Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000050004967 568654803 /nfs/dbraw/zinc/65/48/03/568654803.db2.gz VYCBGWRNCFSOAL-OAHLLOKOSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@H](Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000050005439 568656189 /nfs/dbraw/zinc/65/61/89/568656189.db2.gz BMGHCCNCKVQKFQ-HNNXBMFYSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@@H](Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000050005441 568656178 /nfs/dbraw/zinc/65/61/78/568656178.db2.gz BMGHCCNCKVQKFQ-OAHLLOKOSA-N 0 0 361.401 5.020 20 5 FKBDRN Cc1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000059920269 208592622 /nfs/dbraw/zinc/59/26/22/208592622.db2.gz HKBQMSXUMPBTKZ-UHFFFAOYSA-N 0 0 366.348 5.087 20 5 FKBDRN O=[N+]([O-])c1ccc(CN[C@@H](c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000061134665 567859111 /nfs/dbraw/zinc/85/91/11/567859111.db2.gz RCYYSPIUSMNMMI-GOSISDBHSA-N 0 0 358.850 5.189 20 5 FKBDRN O=[N+]([O-])c1ccc2sc(/C=C/c3csc(-c4ccsc4)n3)nc2c1 ZINC000063275790 212031544 /nfs/dbraw/zinc/03/15/44/212031544.db2.gz HSOPVTHTRLDBLI-DAFODLJHSA-N 0 0 371.468 5.560 20 5 FKBDRN COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)ccc1SC ZINC000063866849 212035223 /nfs/dbraw/zinc/03/52/23/212035223.db2.gz DWAUHOFQAJIAEY-XBXARRHUSA-N 0 0 358.444 5.105 20 5 FKBDRN O=C(CCSc1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000071829631 221380878 /nfs/dbraw/zinc/38/08/78/221380878.db2.gz WZFIRDLDELIAKX-UHFFFAOYSA-N 0 0 371.245 5.023 20 5 FKBDRN O=C(CCSc1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000071829677 221380945 /nfs/dbraw/zinc/38/09/45/221380945.db2.gz FMKOQXZWTZCZNW-UHFFFAOYSA-N 0 0 371.245 5.023 20 5 FKBDRN Cc1c(C(=O)Nc2ccccc2Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000072012346 205459928 /nfs/dbraw/zinc/45/99/28/205459928.db2.gz SBVAPGKSQLOIRV-UHFFFAOYSA-N 0 0 366.348 5.087 20 5 FKBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cc2ccccc2o1 ZINC000072021738 221397299 /nfs/dbraw/zinc/39/72/99/221397299.db2.gz QHSHQXAQHMJBNT-LBPRGKRZSA-N 0 0 372.808 5.218 20 5 FKBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cc2ccccc2o1 ZINC000072021739 221397377 /nfs/dbraw/zinc/39/73/77/221397377.db2.gz QHSHQXAQHMJBNT-GFCCVEGCSA-N 0 0 372.808 5.218 20 5 FKBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032473 221398355 /nfs/dbraw/zinc/39/83/55/221398355.db2.gz XTASRRBESMJYTM-ZDUSSCGKSA-N 0 0 373.840 5.081 20 5 FKBDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032474 208794613 /nfs/dbraw/zinc/79/46/13/208794613.db2.gz XTASRRBESMJYTM-CYBMUJFWSA-N 0 0 373.840 5.081 20 5 FKBDRN C[C@H](Sc1cccc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072076960 208796792 /nfs/dbraw/zinc/79/67/92/208796792.db2.gz WSCIZVNZGSLHBC-JTQLQIEISA-N 0 0 361.810 5.152 20 5 FKBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096954223 222146854 /nfs/dbraw/zinc/14/68/54/222146854.db2.gz GVMLDNBLEDEOQM-SUMWQHHRSA-N 0 0 353.447 5.103 20 5 FKBDRN O=[N+]([O-])c1ccc2sc(/C=C/c3csc(-c4cccs4)n3)nc2c1 ZINC000097546136 209185468 /nfs/dbraw/zinc/18/54/68/209185468.db2.gz ZSVGOYQQPGOLGE-ZZXKWVIFSA-N 0 0 371.468 5.560 20 5 FKBDRN O=C(Nc1ccccc1-c1cccs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000105355611 222367526 /nfs/dbraw/zinc/36/75/26/222367526.db2.gz KCCSUCHXFWKFIH-UHFFFAOYSA-N 0 0 358.806 5.229 20 5 FKBDRN CN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000107512359 222396543 /nfs/dbraw/zinc/39/65/43/222396543.db2.gz OWYLIRWVDHYGLV-UHFFFAOYSA-N 0 0 360.844 5.314 20 5 FKBDRN O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000107755670 206022965 /nfs/dbraw/zinc/02/29/65/206022965.db2.gz YDWLPMRYZYEZPF-UHFFFAOYSA-N 0 0 368.776 5.293 20 5 FKBDRN Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000107762596 206023746 /nfs/dbraw/zinc/02/37/46/206023746.db2.gz HXLJAAPGLKIQHQ-UHFFFAOYSA-N 0 0 366.348 5.087 20 5 FKBDRN O=C(Nc1cccc(-c2cnco2)c1)c1cc2ccccc2c2cccnc12 ZINC000108725647 206038008 /nfs/dbraw/zinc/03/80/08/206038008.db2.gz ZQKYAOCITDSBLQ-UHFFFAOYSA-N 0 0 365.392 5.295 20 5 FKBDRN Cc1c(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000108983423 222434285 /nfs/dbraw/zinc/43/42/85/222434285.db2.gz DAHPXXAUKSEXAV-UHFFFAOYSA-N 0 0 368.339 5.101 20 5 FKBDRN CC[C@H](C)Sc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)c1 ZINC000109641914 209310098 /nfs/dbraw/zinc/31/00/98/209310098.db2.gz GYFKULPTPLIIFQ-NSHDSACASA-N 0 0 364.492 5.416 20 5 FKBDRN CO[C@@H](C)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000128712917 568204894 /nfs/dbraw/zinc/20/48/94/568204894.db2.gz UBZSEPQIMAXSCN-ZDUSSCGKSA-N 0 0 369.446 5.038 20 5 FKBDRN CO[C@H](C)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000128713142 568205000 /nfs/dbraw/zinc/20/50/00/568205000.db2.gz UBZSEPQIMAXSCN-CYBMUJFWSA-N 0 0 369.446 5.038 20 5 FKBDRN Cc1nc2c(s1)[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)CCC2 ZINC000302039537 568072339 /nfs/dbraw/zinc/07/23/39/568072339.db2.gz QZPXVOOANCYGNC-CQSZACIVSA-N 0 0 361.467 5.027 20 5 FKBDRN O=[N+]([O-])c1ccsc1Sc1nnc(-c2cccc3ccccc32)o1 ZINC000302039794 568225687 /nfs/dbraw/zinc/22/56/87/568225687.db2.gz VZYXJMYFONAYLZ-UHFFFAOYSA-N 0 0 355.400 5.011 20 5 FKBDRN CC(C)c1ccccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454169555 567865705 /nfs/dbraw/zinc/86/57/05/567865705.db2.gz PVYSAEYSDIHSFE-KRWDZBQOSA-N 0 0 367.449 5.130 20 5 FKBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1C ZINC000454947832 568041013 /nfs/dbraw/zinc/04/10/13/568041013.db2.gz VCTHIYNKAOBNIW-GOSISDBHSA-N 0 0 371.412 5.028 20 5 FKBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1ccc(F)cc1C ZINC000454947833 568041020 /nfs/dbraw/zinc/04/10/20/568041020.db2.gz VCTHIYNKAOBNIW-SFHVURJKSA-N 0 0 371.412 5.028 20 5 FKBDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000456131381 568213634 /nfs/dbraw/zinc/21/36/34/568213634.db2.gz QXDQVQCURUDHHZ-DZGCQCFKSA-N 0 0 372.390 5.191 20 5 FKBDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000456131382 568213624 /nfs/dbraw/zinc/21/36/24/568213624.db2.gz QXDQVQCURUDHHZ-HIFRSBDPSA-N 0 0 372.390 5.191 20 5 FKBDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000456131383 568213720 /nfs/dbraw/zinc/21/37/20/568213720.db2.gz QXDQVQCURUDHHZ-UKRRQHHQSA-N 0 0 372.390 5.191 20 5 FKBDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000456131384 568213726 /nfs/dbraw/zinc/21/37/26/568213726.db2.gz QXDQVQCURUDHHZ-ZFWWWQNUSA-N 0 0 372.390 5.191 20 5 FKBDRN CC[C@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482090968 568258655 /nfs/dbraw/zinc/25/86/55/568258655.db2.gz TZDKADPEOWZUHK-FQEVSTJZSA-N 0 0 356.466 5.151 20 5 FKBDRN CC[C@@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482090969 568258668 /nfs/dbraw/zinc/25/86/68/568258668.db2.gz TZDKADPEOWZUHK-HXUWFJFHSA-N 0 0 356.466 5.151 20 5 FKBDRN CSc1cccc(C(=O)Nc2ccccc2CCC(C)C)c1[N+](=O)[O-] ZINC000548601075 567830043 /nfs/dbraw/zinc/83/00/43/567830043.db2.gz YBTBJJOLRPJWDD-UHFFFAOYSA-N 0 0 358.463 5.158 20 5 FKBDRN FC(F)(F)c1ccc(SCc2nc3ccccc3c3ccccc23)nn1 ZINC000548612079 567835232 /nfs/dbraw/zinc/83/52/32/567835232.db2.gz FDFKULGWBUYRDM-UHFFFAOYSA-N 0 0 371.387 5.489 20 5 FKBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc21 ZINC000548686831 567862733 /nfs/dbraw/zinc/86/27/33/567862733.db2.gz PVMMHXUGZCRORH-UHFFFAOYSA-N 0 0 373.799 5.052 20 5 FKBDRN CCCc1cccc(C(C)C)c1NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000549006941 567967663 /nfs/dbraw/zinc/96/76/63/567967663.db2.gz RALJDJSCUUHVMT-UHFFFAOYSA-N 0 0 370.449 5.322 20 5 FKBDRN Cc1ccc(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1[N+](=O)[O-] ZINC000549295531 568014600 /nfs/dbraw/zinc/01/46/00/568014600.db2.gz UNUDIFAXMDADPH-UHFFFAOYSA-N 0 0 373.412 5.118 20 5 FKBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-c4ccccc4)o3)o2)cc1 ZINC000549558182 568032976 /nfs/dbraw/zinc/03/29/76/568032976.db2.gz HOTRKLNLLJXWPT-UHFFFAOYSA-N 0 0 374.396 5.405 20 5 FKBDRN C[C@H](Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549711822 568030165 /nfs/dbraw/zinc/03/01/65/568030165.db2.gz YZBDUUUNNQUDBE-HNNXBMFYSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@@H](Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549711823 568030199 /nfs/dbraw/zinc/03/01/99/568030199.db2.gz YZBDUUUNNQUDBE-OAHLLOKOSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@H](Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000549715420 568030358 /nfs/dbraw/zinc/03/03/58/568030358.db2.gz LXFXSMPKNOVKTR-HNNXBMFYSA-N 0 0 361.401 5.020 20 5 FKBDRN C[C@@H](Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000549715421 568030374 /nfs/dbraw/zinc/03/03/74/568030374.db2.gz LXFXSMPKNOVKTR-OAHLLOKOSA-N 0 0 361.401 5.020 20 5 FKBDRN CCCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)c1ccccc1 ZINC000549745890 568030877 /nfs/dbraw/zinc/03/08/77/568030877.db2.gz LEZBPVDRPQUDPX-OAHLLOKOSA-N 0 0 365.433 5.080 20 5 FKBDRN C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl ZINC000549928042 568039651 /nfs/dbraw/zinc/03/96/51/568039651.db2.gz KHONOVWZXBZZAS-JTQLQIEISA-N 0 0 358.747 5.118 20 5 FKBDRN O=[N+]([O-])c1ccc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000550708126 568100379 /nfs/dbraw/zinc/10/03/79/568100379.db2.gz WRFKAUSSTLCLIT-GOSISDBHSA-N 0 0 356.834 5.525 20 5 FKBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000550822942 568107330 /nfs/dbraw/zinc/10/73/30/568107330.db2.gz CDQIADMOGOROGC-UHFFFAOYSA-N 0 0 366.348 5.087 20 5 FKBDRN O=[N+]([O-])c1cccc([C@H](NCc2coc3ccccc23)c2ccccc2)c1 ZINC000550828314 568107575 /nfs/dbraw/zinc/10/75/75/568107575.db2.gz CKTRMIOTTOOFKP-JOCHJYFZSA-N 0 0 358.397 5.220 20 5 FKBDRN O=[N+]([O-])c1cccc([C@@H](NCc2coc3ccccc23)c2ccccc2)c1 ZINC000550828315 568107535 /nfs/dbraw/zinc/10/75/35/568107535.db2.gz CKTRMIOTTOOFKP-QFIPXVFZSA-N 0 0 358.397 5.220 20 5 FKBDRN CC(C)Oc1cccc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C(F)F)c1 ZINC000550933361 568120762 /nfs/dbraw/zinc/12/07/62/568120762.db2.gz RBPXPKGEXRGGGN-ACJLOTCBSA-N 0 0 364.392 5.039 20 5 FKBDRN CC(C)Oc1cccc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C(F)F)c1 ZINC000550933362 568120733 /nfs/dbraw/zinc/12/07/33/568120733.db2.gz RBPXPKGEXRGGGN-FZKQIMNGSA-N 0 0 364.392 5.039 20 5 FKBDRN CC(C)Oc1cccc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(F)F)c1 ZINC000550933363 568120761 /nfs/dbraw/zinc/12/07/61/568120761.db2.gz RBPXPKGEXRGGGN-SCLBCKFNSA-N 0 0 364.392 5.039 20 5 FKBDRN CC(C)Oc1cccc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(F)F)c1 ZINC000550933364 568120771 /nfs/dbraw/zinc/12/07/71/568120771.db2.gz RBPXPKGEXRGGGN-UGSOOPFHSA-N 0 0 364.392 5.039 20 5 FKBDRN CC(C)(C)c1ccccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000550972071 568123348 /nfs/dbraw/zinc/12/33/48/568123348.db2.gz NLYLHQYDFBZSNN-UHFFFAOYSA-N 0 0 351.406 5.159 20 5 FKBDRN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000551099071 568155728 /nfs/dbraw/zinc/15/57/28/568155728.db2.gz WRDSCHTXUPNYJC-LLVKDONJSA-N 0 0 363.389 5.334 20 5 FKBDRN C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000551099072 568155754 /nfs/dbraw/zinc/15/57/54/568155754.db2.gz WRDSCHTXUPNYJC-NSHDSACASA-N 0 0 363.389 5.334 20 5 FKBDRN O=[N+]([O-])c1ccc(Sc2cccs2)c(NCc2ncc(C3CC3)o2)c1 ZINC000551345581 568216370 /nfs/dbraw/zinc/21/63/70/568216370.db2.gz GRZIIUQFVFIGEF-UHFFFAOYSA-N 0 0 373.459 5.285 20 5 FKBDRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cn1 ZINC000551660102 568238549 /nfs/dbraw/zinc/23/85/49/568238549.db2.gz QGSNRAMINIDEIG-UHFFFAOYSA-N 0 0 374.425 5.198 20 5 FKBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000552163119 568261379 /nfs/dbraw/zinc/26/13/79/568261379.db2.gz WGDWOURLHZVIDL-UHFFFAOYSA-N 0 0 368.767 5.363 20 5 FKBDRN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000552186006 568261705 /nfs/dbraw/zinc/26/17/05/568261705.db2.gz MCVYDXHURUASMM-GOSISDBHSA-N 0 0 370.427 5.157 20 5 FKBDRN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](c2cccc(F)c2)C1 ZINC000552186007 568261709 /nfs/dbraw/zinc/26/17/09/568261709.db2.gz MCVYDXHURUASMM-SFHVURJKSA-N 0 0 370.427 5.157 20 5 FKBDRN Cc1ccccc1N(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)C ZINC000552464856 568291973 /nfs/dbraw/zinc/29/19/73/568291973.db2.gz RLBPJPSGFBOXRU-UHFFFAOYSA-N 0 0 354.431 5.173 20 5 FKBDRN O=C(Nc1cccc(C2CCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552541209 568271239 /nfs/dbraw/zinc/27/12/39/568271239.db2.gz HSNVXRJSYWHLTQ-UHFFFAOYSA-N 0 0 364.323 5.133 20 5 FKBDRN Cc1ccc([C@@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000552756319 568282893 /nfs/dbraw/zinc/28/28/93/568282893.db2.gz FRPKUGYPBODOGO-CHWSQXEVSA-N 0 0 374.391 5.060 20 5 FKBDRN Cc1ccc([C@@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000552756352 568282866 /nfs/dbraw/zinc/28/28/66/568282866.db2.gz FRPKUGYPBODOGO-OLZOCXBDSA-N 0 0 374.391 5.060 20 5 FKBDRN Cc1ccc([C@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000552756353 568282793 /nfs/dbraw/zinc/28/27/93/568282793.db2.gz FRPKUGYPBODOGO-QWHCGFSZSA-N 0 0 374.391 5.060 20 5 FKBDRN Cc1ccc([C@H](C)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000552756354 568282983 /nfs/dbraw/zinc/28/29/83/568282983.db2.gz FRPKUGYPBODOGO-STQMWFEESA-N 0 0 374.391 5.060 20 5 FKBDRN CCOc1cccc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)oc21 ZINC000552908216 568301272 /nfs/dbraw/zinc/30/12/72/568301272.db2.gz NMOZQEKJKNGHHP-GFCCVEGCSA-N 0 0 368.389 5.115 20 5 FKBDRN CCOc1cccc2cc([C@H](C)Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)oc21 ZINC000552908217 568301273 /nfs/dbraw/zinc/30/12/73/568301273.db2.gz NMOZQEKJKNGHHP-LBPRGKRZSA-N 0 0 368.389 5.115 20 5 FKBDRN O=[N+]([O-])c1ccc(CSCc2ccc(OCc3ccccn3)cc2)cc1 ZINC000553037029 568310673 /nfs/dbraw/zinc/31/06/73/568310673.db2.gz UKGLNQFULCEDRV-UHFFFAOYSA-N 0 0 366.442 5.002 20 5 FKBDRN O=[N+]([O-])c1cccc(F)c1Sc1nnc(-c2cccc3ccccc32)o1 ZINC000553078535 568311803 /nfs/dbraw/zinc/31/18/03/568311803.db2.gz QFSJKMSOUOWERI-UHFFFAOYSA-N 0 0 367.361 5.088 20 5 FKBDRN O=[N+]([O-])c1ccc(Oc2cnc3ccc(Cl)cc3c2)c2ccncc21 ZINC000553227395 568320483 /nfs/dbraw/zinc/32/04/83/568320483.db2.gz HLGUHJLEMQIZCB-UHFFFAOYSA-N 0 0 351.749 5.137 20 5 FKBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cnc2ccc(Cl)cc2c1 ZINC000553227420 568320476 /nfs/dbraw/zinc/32/04/76/568320476.db2.gz IVFHTFGNGPIHRJ-UHFFFAOYSA-N 0 0 369.686 5.003 20 5 FKBDRN CCC(=O)c1ccc(Oc2cnc3ccc(Cl)cc3c2)c([N+](=O)[O-])c1 ZINC000553227421 568320473 /nfs/dbraw/zinc/32/04/73/568320473.db2.gz IXIOLBSWBUHBLZ-UHFFFAOYSA-N 0 0 356.765 5.181 20 5 FKBDRN O=[N+]([O-])c1ccc(Nc2ccc3nc(C(F)F)sc3c2)c2ccncc21 ZINC000553384667 568345094 /nfs/dbraw/zinc/34/50/94/568345094.db2.gz GUCWCFPSKFJAMF-UHFFFAOYSA-N 0 0 372.356 5.434 20 5 FKBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CCC(C)C)c1 ZINC000553392253 568348897 /nfs/dbraw/zinc/34/88/97/568348897.db2.gz REHRKDJULYUMLK-UHFFFAOYSA-N 0 0 358.463 5.158 20 5 FKBDRN CCc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1Cl ZINC000553566991 568395639 /nfs/dbraw/zinc/39/56/39/568395639.db2.gz RAYXZEDJLWBDRE-UHFFFAOYSA-N 0 0 372.730 5.082 20 5 FKBDRN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000553580298 568395721 /nfs/dbraw/zinc/39/57/21/568395721.db2.gz KRHRUFBSXSRBGR-DEOSSOPVSA-N 0 0 368.436 5.627 20 5 FKBDRN O=[N+]([O-])c1ccccc1CN[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000553580597 568395695 /nfs/dbraw/zinc/39/56/95/568395695.db2.gz KRHRUFBSXSRBGR-XMMPIXPASA-N 0 0 368.436 5.627 20 5 FKBDRN CSc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000553686605 568396735 /nfs/dbraw/zinc/39/67/35/568396735.db2.gz JFPQPDKZPAYHSH-UHFFFAOYSA-N 0 0 364.426 5.236 20 5 FKBDRN O=C(Nc1cccc(-c2ccccc2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553688024 568396714 /nfs/dbraw/zinc/39/67/14/568396714.db2.gz KUKPZZZJGCSXED-UHFFFAOYSA-N 0 0 352.777 5.168 20 5 FKBDRN Cc1ccc([C@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)cc1[N+](=O)[O-] ZINC000553874561 568401334 /nfs/dbraw/zinc/40/13/34/568401334.db2.gz JCOABZXIYSLLSA-JTQLQIEISA-N 0 0 374.309 5.051 20 5 FKBDRN Cc1ccc([C@@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)cc1[N+](=O)[O-] ZINC000553874562 568401345 /nfs/dbraw/zinc/40/13/45/568401345.db2.gz JCOABZXIYSLLSA-SNVBAGLBSA-N 0 0 374.309 5.051 20 5 FKBDRN CC[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000553876869 568401341 /nfs/dbraw/zinc/40/13/41/568401341.db2.gz AUMKQTXRXBGJDG-INIZCTEOSA-N 0 0 374.309 5.133 20 5 FKBDRN CC[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000553876870 568401331 /nfs/dbraw/zinc/40/13/31/568401331.db2.gz AUMKQTXRXBGJDG-MRXNPFEDSA-N 0 0 374.309 5.133 20 5 FKBDRN CC(C)c1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000554779316 568409869 /nfs/dbraw/zinc/40/98/69/568409869.db2.gz ICYBMXVGXPIHCM-UHFFFAOYSA-N 0 0 368.767 5.562 20 5 FKBDRN CSc1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000554779946 568409861 /nfs/dbraw/zinc/40/98/61/568409861.db2.gz OIZNVAJFZGFCGH-UHFFFAOYSA-N 0 0 372.780 5.160 20 5 FKBDRN CC1CCC(c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)CC1 ZINC000554800855 568409999 /nfs/dbraw/zinc/40/99/99/568409999.db2.gz DNTVPNAWZQBSLW-UHFFFAOYSA-N 0 0 359.429 5.025 20 5 FKBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554831189 568410538 /nfs/dbraw/zinc/41/05/38/568410538.db2.gz BJHRVSFCZHTRKE-JTQLQIEISA-N 0 0 368.220 5.127 20 5 FKBDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554831190 568410515 /nfs/dbraw/zinc/41/05/15/568410515.db2.gz BJHRVSFCZHTRKE-SNVBAGLBSA-N 0 0 368.220 5.127 20 5 FKBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000554886206 568411281 /nfs/dbraw/zinc/41/12/81/568411281.db2.gz MCPRLIBCUKJWIS-UHFFFAOYSA-N 0 0 370.449 5.493 20 5 FKBDRN Cc1c(NC(=O)N2Cc3ccccc3-c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000554902313 568411351 /nfs/dbraw/zinc/41/13/51/568411351.db2.gz RJHWXWUWTHMGOV-UHFFFAOYSA-N 0 0 373.412 5.118 20 5 FKBDRN C[C@H](C(=O)N1CCC[C@H]1c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000555309621 568412955 /nfs/dbraw/zinc/41/29/55/568412955.db2.gz MVNDQTVFGVMOSR-AOMKIAJQSA-N 0 0 374.440 5.215 20 5 FKBDRN C[C@H](C(=O)N1CCC[C@@H]1c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000555309622 568412987 /nfs/dbraw/zinc/41/29/87/568412987.db2.gz MVNDQTVFGVMOSR-KSFYIVLOSA-N 0 0 374.440 5.215 20 5 FKBDRN C[C@@H](C(=O)N1CCC[C@@H]1c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000555309623 568412953 /nfs/dbraw/zinc/41/29/53/568412953.db2.gz MVNDQTVFGVMOSR-OPAMFIHVSA-N 0 0 374.440 5.215 20 5 FKBDRN C[C@@H](C(=O)N1CCC[C@H]1c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000555309625 568412973 /nfs/dbraw/zinc/41/29/73/568412973.db2.gz MVNDQTVFGVMOSR-ZHRRBRCNSA-N 0 0 374.440 5.215 20 5 FKBDRN CC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc(F)ccc1F ZINC000555420620 568414002 /nfs/dbraw/zinc/41/40/02/568414002.db2.gz JBIRUMDCIVLRJV-INIZCTEOSA-N 0 0 374.309 5.133 20 5 FKBDRN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc(F)ccc1F ZINC000555420628 568413914 /nfs/dbraw/zinc/41/39/14/568413914.db2.gz JBIRUMDCIVLRJV-MRXNPFEDSA-N 0 0 374.309 5.133 20 5 FKBDRN C[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1Cl ZINC000555461051 568414582 /nfs/dbraw/zinc/41/45/82/568414582.db2.gz KHONOVWZXBZZAS-SNVBAGLBSA-N 0 0 358.747 5.118 20 5 FKBDRN C[C@@H](Nc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000555524567 568412379 /nfs/dbraw/zinc/41/23/79/568412379.db2.gz HEGCWQUQKDZALN-CYBMUJFWSA-N 0 0 367.430 5.082 20 5 FKBDRN C[C@H](Nc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000555524568 568412388 /nfs/dbraw/zinc/41/23/88/568412388.db2.gz HEGCWQUQKDZALN-ZDUSSCGKSA-N 0 0 367.430 5.082 20 5 FKBDRN C[C@@H](Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000555525991 568412443 /nfs/dbraw/zinc/41/24/43/568412443.db2.gz KHFVTQYOZRYMQY-CYBMUJFWSA-N 0 0 367.430 5.082 20 5 FKBDRN C[C@H](Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000555525993 568412450 /nfs/dbraw/zinc/41/24/50/568412450.db2.gz KHFVTQYOZRYMQY-ZDUSSCGKSA-N 0 0 367.430 5.082 20 5 FKBDRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555748283 568423675 /nfs/dbraw/zinc/42/36/75/568423675.db2.gz PAOIOHJXECFHCM-HNNXBMFYSA-N 0 0 354.450 5.413 20 5 FKBDRN CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555748288 568423694 /nfs/dbraw/zinc/42/36/94/568423694.db2.gz PAOIOHJXECFHCM-OAHLLOKOSA-N 0 0 354.450 5.413 20 5 FKBDRN O=[N+]([O-])c1ccc2sc(/C=C/c3cnc(-c4ccco4)s3)nc2c1 ZINC000556282687 568431515 /nfs/dbraw/zinc/43/15/15/568431515.db2.gz ZAKGESCUKHWPSZ-GQCTYLIASA-N 0 0 355.400 5.091 20 5 FKBDRN O=[N+]([O-])c1ccc2sc(/C=C\c3cnc(-c4ccco4)s3)nc2c1 ZINC000556282688 568431540 /nfs/dbraw/zinc/43/15/40/568431540.db2.gz ZAKGESCUKHWPSZ-XQRVVYSFSA-N 0 0 355.400 5.091 20 5 FKBDRN Cc1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C(F)(F)F)o1 ZINC000556483553 568436125 /nfs/dbraw/zinc/43/61/25/568436125.db2.gz YLYZJJWKJNDISW-UHFFFAOYSA-N 0 0 370.327 5.065 20 5 FKBDRN COc1ccc2oc([C@@H](C)Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)c(C)c2c1 ZINC000557577751 568455177 /nfs/dbraw/zinc/45/51/77/568455177.db2.gz JASRLBPHPAJPHE-GFCCVEGCSA-N 0 0 368.389 5.034 20 5 FKBDRN COc1ccc2oc([C@H](C)Nc3ccc([N+](=O)[O-])c(C(C)=O)c3)c(C)c2c1 ZINC000557577753 568455234 /nfs/dbraw/zinc/45/52/34/568455234.db2.gz JASRLBPHPAJPHE-LBPRGKRZSA-N 0 0 368.389 5.034 20 5 FKBDRN O=[N+]([O-])c1c(Oc2cnc3ccc(Cl)cc3c2)ccc2ncccc21 ZINC000557673577 568459056 /nfs/dbraw/zinc/45/90/56/568459056.db2.gz YPVSKQRCAPEROP-UHFFFAOYSA-N 0 0 351.749 5.137 20 5 FKBDRN O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000557930064 568464125 /nfs/dbraw/zinc/46/41/25/568464125.db2.gz TUDSCHXBGZWVGE-HJWRWDBZSA-N 0 0 362.172 5.122 20 5 FKBDRN Cc1c([C@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] ZINC000558259715 568467307 /nfs/dbraw/zinc/46/73/07/568467307.db2.gz WOJNOZZHHNEQPE-JTQLQIEISA-N 0 0 374.309 5.051 20 5 FKBDRN Cc1c([C@@H](C)NCc2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] ZINC000558259722 568467278 /nfs/dbraw/zinc/46/72/78/568467278.db2.gz WOJNOZZHHNEQPE-SNVBAGLBSA-N 0 0 374.309 5.051 20 5 FKBDRN C[C@H](Nc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000558296858 568468197 /nfs/dbraw/zinc/46/81/97/568468197.db2.gz NGCQSIJAGHGZOW-KRWDZBQOSA-N 0 0 362.429 5.485 20 5 FKBDRN C[C@@H](Nc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000558296865 568468209 /nfs/dbraw/zinc/46/82/09/568468209.db2.gz NGCQSIJAGHGZOW-QGZVFWFLSA-N 0 0 362.429 5.485 20 5 FKBDRN O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)o1 ZINC000558481802 568481088 /nfs/dbraw/zinc/48/10/88/568481088.db2.gz BMKLJVZKHNNZFQ-AWEZNQCLSA-N 0 0 374.849 5.347 20 5 FKBDRN O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)o1 ZINC000558481807 568481151 /nfs/dbraw/zinc/48/11/51/568481151.db2.gz BMKLJVZKHNNZFQ-CQSZACIVSA-N 0 0 374.849 5.347 20 5 FKBDRN O=[N+]([O-])c1ccc(-c2nc(CNc3cccc4ccsc43)co2)cc1 ZINC000559934112 568503422 /nfs/dbraw/zinc/50/34/22/568503422.db2.gz DGYXLDFBOWWZML-UHFFFAOYSA-N 0 0 351.387 5.077 20 5 FKBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000560414552 568543466 /nfs/dbraw/zinc/54/34/66/568543466.db2.gz YJXPBCNPDHZALF-UHFFFAOYSA-N 0 0 368.393 5.120 20 5 FKBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCC(CC(F)(F)F)CC1 ZINC000560824723 568647015 /nfs/dbraw/zinc/64/70/15/568647015.db2.gz FQERNHVZWHDTPW-UHFFFAOYSA-N 0 0 372.390 5.193 20 5 FKBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000569055750 568292912 /nfs/dbraw/zinc/29/29/12/568292912.db2.gz MMKXNGGMUNNSIC-SFHVURJKSA-N 0 0 373.840 5.180 20 5 FKBDRN CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000584694716 568261868 /nfs/dbraw/zinc/26/18/68/568261868.db2.gz RTWJPKYECZKANA-CABCVRRESA-N 0 0 366.417 5.054 20 5 FKBDRN CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000584694717 568269355 /nfs/dbraw/zinc/26/93/55/568269355.db2.gz RTWJPKYECZKANA-GJZGRUSLSA-N 0 0 366.417 5.054 20 5 FKBDRN CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000584694718 568293746 /nfs/dbraw/zinc/29/37/46/568293746.db2.gz RTWJPKYECZKANA-HUUCEWRRSA-N 0 0 366.417 5.054 20 5 FKBDRN CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000584694719 568292471 /nfs/dbraw/zinc/29/24/71/568292471.db2.gz RTWJPKYECZKANA-LSDHHAIUSA-N 0 0 366.417 5.054 20 5 FKBDRN CN(C(C)(C)C)C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001165023090 721834135 /nfs/dbraw/zinc/83/41/35/721834135.db2.gz RZXFINDTZSLMSW-UHFFFAOYSA-N 0 0 369.799 5.090 20 5 FKBDRN