smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000000630184 570440472 /nfs/dbraw/zinc/44/04/72/570440472.db2.gz VIMVYHAVSHZMDJ-UHFFFAOYSA-N -1 1 359.535 5.391 50 0 FKAAMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1 ZINC000000630185 570440318 /nfs/dbraw/zinc/44/03/18/570440318.db2.gz RZNPMSJRXHMNDD-UHFFFAOYSA-N -1 1 363.498 5.222 50 0 FKAAMM O=C1c2ccccc2C(=O)C(CCC[C@@H]2CC[C@H]3CCCC[C@H]3C2)=C1[O-] ZINC000000642078 570442932 /nfs/dbraw/zinc/44/29/32/570442932.db2.gz AWYKAOYJOQIVKI-ZACQAIPSSA-N -1 1 352.474 5.655 50 0 FKAAMM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1 ZINC000000642727 210256696 /nfs/dbraw/zinc/25/66/96/210256696.db2.gz KUZRYVQGPWKXPD-UHFFFAOYSA-N -1 1 371.461 5.212 50 0 FKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000000682474 206825165 /nfs/dbraw/zinc/82/51/65/206825165.db2.gz UAQIFXLWMZCTSM-UHFFFAOYSA-N -1 1 358.290 5.092 50 0 FKAAMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000683104 570450064 /nfs/dbraw/zinc/45/00/64/570450064.db2.gz MOHXEJCMECIDOH-UHFFFAOYSA-N -1 1 351.899 5.388 50 0 FKAAMM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000683167 219313434 /nfs/dbraw/zinc/31/34/34/219313434.db2.gz ZMBNHSCSDLMEEB-UHFFFAOYSA-N -1 1 373.562 6.032 50 0 FKAAMM O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1[O-] ZINC000000711866 210263860 /nfs/dbraw/zinc/26/38/60/210263860.db2.gz UCWRBXVEONUMEK-UHFFFAOYSA-N -1 1 372.449 5.435 50 0 FKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2C(C)(C)C)cc1 ZINC000000712563 210263540 /nfs/dbraw/zinc/26/35/40/210263540.db2.gz OLGXKENUYMKLFV-UHFFFAOYSA-N -1 1 359.535 5.391 50 0 FKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(C)c1 ZINC000000753343 210267475 /nfs/dbraw/zinc/26/74/75/210267475.db2.gz MARBUXQLJNSOOJ-UHFFFAOYSA-N -1 1 351.471 5.080 50 0 FKAAMM [O-]c1ccc(Cl)cc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1 ZINC000000755412 210268107 /nfs/dbraw/zinc/26/81/07/210268107.db2.gz BYIHNNHUQFLHOV-UHFFFAOYSA-N -1 1 350.727 5.188 50 0 FKAAMM Cc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000000817474 570458283 /nfs/dbraw/zinc/45/82/83/570458283.db2.gz RPKABBINFZHEQL-UHFFFAOYSA-N -1 1 372.424 5.378 50 0 FKAAMM Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000000817475 219325444 /nfs/dbraw/zinc/32/54/44/219325444.db2.gz BTHMDTGEHNLLBM-UHFFFAOYSA-N -1 1 372.424 5.378 50 0 FKAAMM Cc1ccc(-c2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2-c2ccccc2)cc1 ZINC000000826965 206836186 /nfs/dbraw/zinc/83/61/86/206836186.db2.gz FOPCFDNZNVYFOX-UHFFFAOYSA-N -1 1 354.409 5.417 50 0 FKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1cccc(F)c1 ZINC000000830072 219328068 /nfs/dbraw/zinc/32/80/68/219328068.db2.gz BIINVWHZWPRNKO-UHFFFAOYSA-N -1 1 364.401 5.060 50 0 FKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(F)cc1 ZINC000000830073 206837173 /nfs/dbraw/zinc/83/71/73/206837173.db2.gz UGRHBDATNXTDIX-UHFFFAOYSA-N -1 1 364.401 5.060 50 0 FKAAMM Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000000830076 210276985 /nfs/dbraw/zinc/27/69/85/210276985.db2.gz MKSJPJSSIYLCHA-UHFFFAOYSA-N -1 1 360.438 5.230 50 0 FKAAMM Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000000830077 210277682 /nfs/dbraw/zinc/27/76/82/210277682.db2.gz SSWXAAVJIIFVNI-UHFFFAOYSA-N -1 1 360.438 5.230 50 0 FKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4C)ccc3[O-])nc2c1 ZINC000000850278 210280998 /nfs/dbraw/zinc/28/09/98/210280998.db2.gz CJROWIXBRHDLFQ-UHFFFAOYSA-N -1 1 358.397 5.070 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000000975310 571140982 /nfs/dbraw/zinc/14/09/82/571140982.db2.gz BHVRLTMZAVTVHX-OQLLNIDSSA-N -1 1 361.875 5.248 50 0 FKAAMM CCc1ccc2oc(-c3cc(NC(=O)c4ccccc4)ccc3[O-])nc2c1 ZINC000000989585 570645445 /nfs/dbraw/zinc/64/54/45/570645445.db2.gz HPIXEUOEEXPXPO-UHFFFAOYSA-N -1 1 358.397 5.015 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccccc1Cl ZINC000000993800 219351721 /nfs/dbraw/zinc/35/17/21/219351721.db2.gz FYWIHYQFZODDPS-OQLLNIDSSA-N -1 1 361.875 5.248 50 0 FKAAMM CCSc1nnc([N-]C(=O)c2sc3cc(C)ccc3c2Cl)s1 ZINC000000997929 203970811 /nfs/dbraw/zinc/97/08/11/203970811.db2.gz OMBGZSJONZFBBM-UHFFFAOYSA-N -1 1 369.924 5.079 50 0 FKAAMM Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4[O-])cc3)sc2c1 ZINC000001004177 570471072 /nfs/dbraw/zinc/47/10/72/570471072.db2.gz JURHFSYBJXOBOY-UHFFFAOYSA-N -1 1 360.438 5.230 50 0 FKAAMM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000001040522 570474578 /nfs/dbraw/zinc/47/45/78/570474578.db2.gz QMIJXXHKMNPELL-UHFFFAOYSA-N -1 1 372.298 5.317 50 0 FKAAMM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]C(=O)c1c(F)cccc1F ZINC000001040797 570474874 /nfs/dbraw/zinc/47/48/74/570474874.db2.gz MXXMNHGLXIPSFB-UHFFFAOYSA-N -1 1 361.388 5.140 50 0 FKAAMM S=c1[n-]nc(CSCc2cccc3ccccc32)n1C1CCCCC1 ZINC000001043354 570476047 /nfs/dbraw/zinc/47/60/47/570476047.db2.gz MOBKMJLDUNPPBG-UHFFFAOYSA-N -1 1 369.559 6.032 50 0 FKAAMM O=c1c(Sc2ccccc2)c([O-])cc(-c2ccccc2)n1-c1ccccc1 ZINC000001044291 210308525 /nfs/dbraw/zinc/30/85/25/210308525.db2.gz HLJJTWFVMFGZCC-UHFFFAOYSA-N -1 1 371.461 5.361 50 0 FKAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c(C)c1C ZINC000001048730 219358127 /nfs/dbraw/zinc/35/81/27/219358127.db2.gz HDBWTYMFMFWFFU-UHFFFAOYSA-N -1 1 372.317 5.336 50 0 FKAAMM CCC[C@@H](C)c1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000001049271 219358763 /nfs/dbraw/zinc/35/87/63/219358763.db2.gz DXDJEKWFMCNXGC-SECBINFHSA-N -1 1 365.911 5.562 50 0 FKAAMM CCC[C@H](C)c1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000001049272 210307950 /nfs/dbraw/zinc/30/79/50/210307950.db2.gz DXDJEKWFMCNXGC-VIFPVBQESA-N -1 1 365.911 5.562 50 0 FKAAMM Cc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2c1 ZINC000001050095 570477410 /nfs/dbraw/zinc/47/74/10/570477410.db2.gz UXMDZOGRPCNVCE-UHFFFAOYSA-N -1 1 366.269 5.256 50 0 FKAAMM Cc1cc(C)c2nc([N-]c3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 ZINC000001072036 219364505 /nfs/dbraw/zinc/36/45/05/219364505.db2.gz PUPUPQKRTLYJIQ-UHFFFAOYSA-N -1 1 355.445 5.064 50 0 FKAAMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000001104789 219369308 /nfs/dbraw/zinc/36/93/08/219369308.db2.gz DCRZZVKLWQLDPD-UHFFFAOYSA-N -1 1 359.450 5.308 50 0 FKAAMM CCC(CC)c1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000001111599 219371831 /nfs/dbraw/zinc/37/18/31/219371831.db2.gz QNJZUCYGMKQZLD-UHFFFAOYSA-N -1 1 365.911 5.562 50 0 FKAAMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000001124826 219374905 /nfs/dbraw/zinc/37/49/05/219374905.db2.gz MGKAXXCGACJWTF-UHFFFAOYSA-N -1 1 363.482 5.182 50 0 FKAAMM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001150558 219381515 /nfs/dbraw/zinc/38/15/15/219381515.db2.gz RDFFZIMYYNUCGJ-UHFFFAOYSA-N -1 1 369.511 5.088 50 0 FKAAMM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000001155882 210325748 /nfs/dbraw/zinc/32/57/48/210325748.db2.gz PUSPTFVNSPKPLD-PKTZIBPZSA-N -1 1 374.411 5.460 50 0 FKAAMM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000001155883 570485308 /nfs/dbraw/zinc/48/53/08/570485308.db2.gz PUSPTFVNSPKPLD-DHIUTWEWSA-N -1 1 374.411 5.460 50 0 FKAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000001183229 570489958 /nfs/dbraw/zinc/48/99/58/570489958.db2.gz SCGGONZINLUROJ-UHFFFAOYSA-N -1 1 372.493 5.115 50 0 FKAAMM Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3[O-])nc2c1 ZINC000001207148 210334904 /nfs/dbraw/zinc/33/49/04/210334904.db2.gz NBTYCGZTJROGFU-XYOKQWHBSA-N -1 1 370.408 5.161 50 0 FKAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(Cl)cc1 ZINC000001207871 219389659 /nfs/dbraw/zinc/38/96/59/219389659.db2.gz RKJCYKRKYCPATJ-UHFFFAOYSA-N -1 1 364.788 5.106 50 0 FKAAMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 ZINC000001208417 570492675 /nfs/dbraw/zinc/49/26/75/570492675.db2.gz AJFVMFITPBGAJC-UHFFFAOYSA-N -1 1 364.788 5.106 50 0 FKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 ZINC000001208572 570492780 /nfs/dbraw/zinc/49/27/80/570492780.db2.gz MEQWPGASWLSZNH-UHFFFAOYSA-N -1 1 364.788 5.106 50 0 FKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4cccc(C)c4)ccc3[O-])nc2c1 ZINC000001208732 570492751 /nfs/dbraw/zinc/49/27/51/570492751.db2.gz PDUSOTQJGRGVSS-UHFFFAOYSA-N -1 1 358.397 5.070 50 0 FKAAMM Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000001210528 570493301 /nfs/dbraw/zinc/49/33/01/570493301.db2.gz ZRSFGCASVXQYEW-UHFFFAOYSA-N -1 1 358.397 5.070 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001240273 570496285 /nfs/dbraw/zinc/49/62/85/570496285.db2.gz PQCBMLVRDBJEMS-WUXMJOGZSA-N -1 1 356.255 5.583 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000001245241 219392809 /nfs/dbraw/zinc/39/28/09/219392809.db2.gz UOUZZHXIEFYNRG-RQZCQDPDSA-N -1 1 368.458 5.158 50 0 FKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000001254308 571044698 /nfs/dbraw/zinc/04/46/98/571044698.db2.gz OCLWVSHCVSTEPG-UHFFFAOYSA-N -1 1 360.844 5.999 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000001260255 210339533 /nfs/dbraw/zinc/33/95/33/210339533.db2.gz SULFIKDZDGQWBD-SDQBBNPISA-N -1 1 356.255 5.583 50 0 FKAAMM Cc1cc(Sc2cc(C)cc(C(C)(C)C)c2O)c([O-])c(C(C)(C)C)c1 ZINC000001694482 204017399 /nfs/dbraw/zinc/01/73/99/204017399.db2.gz MQWCQFCZUNBTCM-UHFFFAOYSA-N -1 1 358.547 6.461 50 0 FKAAMM CCCCc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000001791952 570507860 /nfs/dbraw/zinc/50/78/60/570507860.db2.gz LPWVTWIFIXNUBX-UHFFFAOYSA-N -1 1 351.884 5.001 50 0 FKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1 ZINC000002049091 571214395 /nfs/dbraw/zinc/21/43/95/571214395.db2.gz PFBDMYLVHXLEFP-UHFFFAOYSA-N -1 1 371.461 5.596 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000002055982 204024562 /nfs/dbraw/zinc/02/45/62/204024562.db2.gz KBOMKXMRXTYCLF-OQLLNIDSSA-N -1 1 361.875 5.248 50 0 FKAAMM CC(C)(C)c1cc(OC(=O)[N-]C(=O)c2ccccc2)cc(C(C)(C)C)c1 ZINC000002057881 210377755 /nfs/dbraw/zinc/37/77/55/210377755.db2.gz OZJQTYZOHYXKGT-UHFFFAOYSA-N -1 1 353.462 5.210 50 0 FKAAMM CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2cc1[O-] ZINC000002105787 571277688 /nfs/dbraw/zinc/27/76/88/571277688.db2.gz YOWGEJICJCYWTE-UHFFFAOYSA-N -1 1 362.429 5.165 50 0 FKAAMM O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2cc1[O-] ZINC000002127225 570767087 /nfs/dbraw/zinc/76/70/87/570767087.db2.gz RECQANCHHAZCPJ-UHFFFAOYSA-N -1 1 366.631 5.758 50 0 FKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000002184766 210382973 /nfs/dbraw/zinc/38/29/73/210382973.db2.gz MKJFPOGTSJGYOB-UHFFFAOYSA-N -1 1 369.486 5.236 50 0 FKAAMM O=c1[n-]c(SCc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000002197028 570517030 /nfs/dbraw/zinc/51/70/30/570517030.db2.gz RVKNNZBAEJTCSR-UHFFFAOYSA-N -1 1 374.509 5.097 50 0 FKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000002307252 570518817 /nfs/dbraw/zinc/51/88/17/570518817.db2.gz QGUMNKHEDYJVPV-YRNVUSSQSA-N -1 1 353.877 5.413 50 0 FKAAMM O=C([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1 ZINC000002352936 571318961 /nfs/dbraw/zinc/31/89/61/571318961.db2.gz WPKWBGXRAVVURA-UHFFFAOYSA-N -1 1 374.827 5.762 50 0 FKAAMM S=c1[n-]nc(-c2ccc(OCc3ccccc3)cc2)n1Cc1ccccc1 ZINC000002369882 204036699 /nfs/dbraw/zinc/03/66/99/204036699.db2.gz RPOQACUSXKIAES-UHFFFAOYSA-N -1 1 373.481 5.235 50 0 FKAAMM Cc1cc2c3oc(=O)sc3c(-c3ccc(C(C)C)cc3)c([O-])c2cc1C ZINC000002403986 571321511 /nfs/dbraw/zinc/32/15/11/571321511.db2.gz RAFAKQDYNKRLSJ-UHFFFAOYSA-N -1 1 364.466 6.121 50 0 FKAAMM Cc1cc2c3oc(=O)sc3c(-c3ccc(Cl)cc3)c([O-])c2cc1C ZINC000002404092 571321470 /nfs/dbraw/zinc/32/14/70/571321470.db2.gz WDVCFSNICJVORF-UHFFFAOYSA-N -1 1 356.830 5.651 50 0 FKAAMM Cc1ccc(-c2c3sc(=O)oc3c3cc(C)c(C)cc3c2[O-])cc1C ZINC000002405385 204037590 /nfs/dbraw/zinc/03/75/90/204037590.db2.gz WKRAYFCVIACWFB-UHFFFAOYSA-N -1 1 350.439 5.614 50 0 FKAAMM S=c1nc[n-]c2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000002509644 570522769 /nfs/dbraw/zinc/52/27/69/570522769.db2.gz VMDCRKKEHBEEAK-UHFFFAOYSA-N -1 1 372.478 5.257 50 0 FKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000002636004 571339758 /nfs/dbraw/zinc/33/97/58/571339758.db2.gz 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COc1cccc(C([O-])=C(C(C)=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000044671941 570898546 /nfs/dbraw/zinc/89/85/46/570898546.db2.gz KBLRIZRRJPFDED-JOCHJYFZSA-N -1 1 372.420 5.021 50 0 FKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccccc3)c2)cs1 ZINC000064670014 205302644 /nfs/dbraw/zinc/30/26/44/205302644.db2.gz XNFCVTNQJWVQAG-UHFFFAOYSA-N -1 1 372.515 5.043 50 0 FKAAMM CC(C)(C)c1ccc(CSc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000067259863 571048499 /nfs/dbraw/zinc/04/84/99/571048499.db2.gz NZZOPELVMVJDKG-UHFFFAOYSA-N -1 1 364.470 5.671 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2cccc(C(F)(F)F)c2)S1 ZINC000071286113 221340586 /nfs/dbraw/zinc/34/05/86/221340586.db2.gz YTJQKERVLLACBR-ZDUSSCGKSA-N -1 1 355.385 5.075 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)S1 ZINC000071286114 571269961 /nfs/dbraw/zinc/26/99/61/571269961.db2.gz YTJQKERVLLACBR-CYBMUJFWSA-N -1 1 355.385 5.075 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000071287046 571269985 /nfs/dbraw/zinc/26/99/85/571269985.db2.gz YTPGRFQBPPQIFN-ZDUSSCGKSA-N -1 1 356.278 5.363 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000071287047 571269963 /nfs/dbraw/zinc/26/99/63/571269963.db2.gz YTPGRFQBPPQIFN-CYBMUJFWSA-N -1 1 356.278 5.363 50 0 FKAAMM [O-]C(c1c2ccccc2[nH]c1-c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000075270673 571158849 /nfs/dbraw/zinc/15/88/49/571158849.db2.gz SMSKTSQDOODONR-UHFFFAOYSA-N -1 1 359.269 5.147 50 0 FKAAMM CC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc([O-])c(Cl)c2)S1 ZINC000079488884 571327632 /nfs/dbraw/zinc/32/76/32/571327632.db2.gz LEOFPQFLFGBJRG-SFHVURJKSA-N -1 1 369.877 5.177 50 0 FKAAMM CC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc([O-])c(Cl)c2)S1 ZINC000079488886 571327658 /nfs/dbraw/zinc/32/76/58/571327658.db2.gz LEOFPQFLFGBJRG-GOSISDBHSA-N -1 1 369.877 5.177 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc(Cl)cc2)S1 ZINC000085411986 571113516 /nfs/dbraw/zinc/11/35/16/571113516.db2.gz KNIPONITDAFRPK-INIZCTEOSA-N -1 1 361.898 5.221 50 0 FKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc(Cl)cc2)S1 ZINC000085411989 571113368 /nfs/dbraw/zinc/11/33/68/571113368.db2.gz KNIPONITDAFRPK-MRXNPFEDSA-N -1 1 361.898 5.221 50 0 FKAAMM CC1=Nc2c(cnn2-c2ccccc2)[C@H](c2ccc([O-])c(Cl)c2)S1 ZINC000095476354 571330847 /nfs/dbraw/zinc/33/08/47/571330847.db2.gz MVDYOPWQYJBIGQ-KRWDZBQOSA-N -1 1 355.850 5.117 50 0 FKAAMM CC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2ccc([O-])c(Cl)c2)S1 ZINC000095476355 209058937 /nfs/dbraw/zinc/05/89/37/209058937.db2.gz MVDYOPWQYJBIGQ-QGZVFWFLSA-N -1 1 355.850 5.117 50 0 FKAAMM O=c1c2ccc(Cl)cc2[nH]c([O-])c1-c1cccc(Oc2ccccc2)c1 ZINC000095541799 570470339 /nfs/dbraw/zinc/47/03/39/570470339.db2.gz FLVRDMUHUXVRET-UHFFFAOYSA-N -1 1 363.800 5.346 50 0 in-vitro FKAAMM CC(=O)C(=C([O-])c1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 ZINC000100620110 209215379 /nfs/dbraw/zinc/21/53/79/209215379.db2.gz LHSFJGLRWCYDFF-NRFANRHFSA-N -1 1 360.384 5.151 50 0 FKAAMM CC(=O)C(=C([O-])c1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 ZINC000100620111 570505721 /nfs/dbraw/zinc/50/57/21/570505721.db2.gz LHSFJGLRWCYDFF-OAQYLSRUSA-N -1 1 360.384 5.151 50 0 FKAAMM CC(=O)C(=C([O-])c1ccccc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671635 222248936 /nfs/dbraw/zinc/24/89/36/222248936.db2.gz CCDDWUZRKQKEPO-VXKWHMMOSA-N -1 1 360.384 5.151 50 0 FKAAMM CC(=O)C(=C([O-])c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671639 570506528 /nfs/dbraw/zinc/50/65/28/570506528.db2.gz CCDDWUZRKQKEPO-FCHUYYIVSA-N -1 1 360.384 5.151 50 0 FKAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)o1 ZINC000137818362 571182489 /nfs/dbraw/zinc/18/24/89/571182489.db2.gz YZJIAVOYCGZTNO-IBGZPJMESA-N -1 1 363.438 5.012 50 0 FKAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)o1 ZINC000137819428 571182447 /nfs/dbraw/zinc/18/24/47/571182447.db2.gz YZJIAVOYCGZTNO-LJQANCHMSA-N -1 1 363.438 5.012 50 0 FKAAMM Cc1nnc(Cl)c(-c2c(F)cc([O-])cc2F)c1-c1ccc(Cl)cc1 ZINC000147823958 571194143 /nfs/dbraw/zinc/19/41/43/571194143.db2.gz OMOJBNHDLJZAAF-UHFFFAOYSA-N -1 1 367.182 5.410 50 0 FKAAMM Cc1ccc(-c2csc(-c3cc4cc(Cl)ccc4oc3=N[O-])n2)cc1 ZINC000252675032 571292415 /nfs/dbraw/zinc/29/24/15/571292415.db2.gz SRQWHARYHMFLDC-UHFFFAOYSA-N -1 1 368.845 5.475 50 0 FKAAMM