smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCC1=C([O-])c2ccccc2C(=O)C1=O ZINC000000402468 368547498 /nfs/dbraw/zinc/54/74/98/368547498.db2.gz CBIBTBSDPZSTOE-UHFFFAOYSA-N -1 0 244.290 3.314 40 30 biogenic,in-vitro BGEBRM O=C([O-])c1cccc(/N=C/c2ccccc2)c1 ZINC000000505530 342689143 /nfs/dbraw/zinc/68/91/43/342689143.db2.gz LVDVILMEKYWYQD-XNTDXEJSSA-N -1 0 225.247 3.135 40 30 BGEBRM Cc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000000572442 345973105 /nfs/dbraw/zinc/97/31/05/345973105.db2.gz HJGVCPYOCTVHBH-MHWRWJLKSA-N -1 0 239.274 3.444 40 30 BGEBRM N#C[C@@H](C(=O)[O-])C1(c2ccccc2)CCCCC1 ZINC000001567772 181054373 /nfs/dbraw/zinc/05/43/73/181054373.db2.gz HVKWHGWTODVXJE-ZDUSSCGKSA-N -1 0 243.306 3.113 40 30 BGEBRM C=C(C)[C@@H]1CCc2c(C)cc(O)c(C(=O)[O-])c2C1 ZINC000001569325 355906914 /nfs/dbraw/zinc/90/69/14/355906914.db2.gz GOBPGMOBZHNSGZ-SNVBAGLBSA-N -1 0 246.306 3.080 40 30 BGEBRM O=C([O-])CCCC1=C2CCC(=O)C=C2CCC1 ZINC000001600351 383912867 /nfs/dbraw/zinc/91/28/67/383912867.db2.gz POCYNNNWQCGAAY-UHFFFAOYSA-N -1 0 234.295 3.011 40 30 BGEBRM C=CC1(C(=O)[O-])CCC(C(C)(C)C)CC1 ZINC000001613569 355910400 /nfs/dbraw/zinc/91/04/00/355910400.db2.gz BYFDBTNMLMXIMU-UHFFFAOYSA-N -1 0 210.317 3.480 40 30 BGEBRM C=CCOc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000001653871 397935956 /nfs/dbraw/zinc/93/59/56/397935956.db2.gz VPUGVELDDVADPG-UHFFFAOYSA-N -1 0 247.077 3.256 40 30 BGEBRM O=C([O-])c1ccccc1/N=C/c1ccccc1 ZINC000001668637 342707829 /nfs/dbraw/zinc/70/78/29/342707829.db2.gz RSSOEXVKHMRAGG-XNTDXEJSSA-N -1 0 225.247 3.135 40 30 BGEBRM C=C[C@H](CCC)c1cc(C(=O)[O-])ccc1OC ZINC000001692006 355910281 /nfs/dbraw/zinc/91/02/81/355910281.db2.gz ICAGCHGMLHQKIT-SNVBAGLBSA-N -1 0 234.295 3.463 40 30 BGEBRM N#Cc1ccccc1-c1ccccc1/C=C/C(=O)[O-] ZINC000001698843 181144014 /nfs/dbraw/zinc/14/40/14/181144014.db2.gz ZOSJYZLGOLAZGI-MDZDMXLPSA-N -1 0 249.269 3.323 40 30 BGEBRM N#C[C@@H](c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000001704345 342710249 /nfs/dbraw/zinc/71/02/49/342710249.db2.gz XLWVORUWUYSALI-AWEZNQCLSA-N -1 0 237.258 3.040 40 30 BGEBRM ON=C1c2cc(F)ccc2-c2ccc(F)cc21 ZINC000001717043 188100360 /nfs/dbraw/zinc/10/03/60/188100360.db2.gz WWGZMLYZAFLAJI-UHFFFAOYSA-N -1 0 231.201 3.172 40 30 BGEBRM CCCCCCC#CC#CCCCC(=O)[O-] ZINC000002509480 188101295 /nfs/dbraw/zinc/10/12/95/188101295.db2.gz IAGHYQJIJUVATL-UHFFFAOYSA-N -1 0 220.312 3.219 40 30 BGEBRM CCCCCCCCCC[C@H](O)CC(=O)[O-] ZINC000002558056 342724052 /nfs/dbraw/zinc/72/40/52/342724052.db2.gz CWSNHZHHWHLJIM-LBPRGKRZSA-N -1 0 230.348 3.353 40 30 BGEBRM CCCCCCCCCCC[C@H](O)C(=O)[O-] ZINC000002558058 342724007 /nfs/dbraw/zinc/72/40/07/342724007.db2.gz KCEUZVYQPROALO-LBPRGKRZSA-N -1 0 230.348 3.353 40 30 in-vitro BGEBRM Cc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000003097501 178360353 /nfs/dbraw/zinc/36/03/53/178360353.db2.gz AEPVZLKKJZIHMS-MHWRWJLKSA-N -1 0 239.274 3.444 40 30 BGEBRM C=C[C@]1(C)Cc2occ(C)c2C[C@H]1C(=C)C(=O)[O-] ZINC000004104813 355352759 /nfs/dbraw/zinc/35/27/59/355352759.db2.gz VZTBSJNBYKYYRW-SWLSCSKDSA-N -1 0 246.306 3.136 40 30 biogenic,in-vitro BGEBRM CC(C)(C)CC1=C([O-])c2ccccc2C(=O)C1=O ZINC000004877025 342753900 /nfs/dbraw/zinc/75/39/00/342753900.db2.gz CYGFOOBBDNUOKQ-UHFFFAOYSA-N -1 0 244.290 3.314 40 30 BGEBRM [O-]/N=C(/Cl)c1c(Cl)cccc1Cl ZINC000005248552 384108790 /nfs/dbraw/zinc/10/87/90/384108790.db2.gz LXWQVTNZUIURFE-YRNVUSSQSA-N -1 0 224.474 3.368 40 30 BGEBRM CCC/C(=N\O)c1cccc(Cl)c1[O-] ZINC000005417186 384115971 /nfs/dbraw/zinc/11/59/71/384115971.db2.gz KTBMIIAYAPSFKW-FMIVXFBMSA-N -1 0 213.664 3.024 40 30 BGEBRM CCCCCCc1ccc(C(/C=N\O)=N/[O-])cc1 ZINC000005418503 342763620 /nfs/dbraw/zinc/76/36/20/342763620.db2.gz VYPIGNKKBINPAV-RONYGQJDSA-N -1 0 248.326 3.448 40 30 BGEBRM [O-]/N=C(\Cl)c1cccc(Cl)c1Cl ZINC000005426439 181825166 /nfs/dbraw/zinc/82/51/66/181825166.db2.gz KGRTTYDOBNWTOO-XFFZJAGNSA-N -1 0 224.474 3.368 40 30 BGEBRM C=C(C)CSC(=S)[N-]Nc1ccccc1 ZINC000005426849 355357920 /nfs/dbraw/zinc/35/79/20/355357920.db2.gz MODAKPLKLVBSGB-UHFFFAOYSA-N -1 0 238.381 3.197 40 30 BGEBRM O=C([O-])/C=C/c1cccc(/N=C/c2ccco2)c1 ZINC000005427894 182413052 /nfs/dbraw/zinc/41/30/52/182413052.db2.gz LJFDSHQYEJDQQM-HCRXKHKBSA-N -1 0 241.246 3.128 40 30 BGEBRM C=C1[C@H]2CC[C@H](C(=O)[O-])[C@@]23CC[C@H](C3)C1(C)C ZINC000005455616 346232252 /nfs/dbraw/zinc/23/22/52/346232252.db2.gz IJGMVUXEZUEDJR-RTWAVKEYSA-N -1 0 234.339 3.480 40 30 biogenic,in-vitro BGEBRM C=C[C@@H](CCC)c1cc(C(=O)[O-])ccc1OC ZINC000005561112 342809348 /nfs/dbraw/zinc/80/93/48/342809348.db2.gz ICAGCHGMLHQKIT-JTQLQIEISA-N -1 0 234.295 3.463 40 30 BGEBRM [O-]/N=C(/C=N/O)c1ccc(C2CCCCC2)cc1 ZINC000005569619 384120375 /nfs/dbraw/zinc/12/03/75/384120375.db2.gz ZVYBRWBHXIBYTD-AGZLXIDLSA-N -1 0 246.310 3.373 40 30 BGEBRM C=C(C)[C@H]1CCc2c(C)cc(O)c(C(=O)[O-])c2C1 ZINC000005641090 386816140 /nfs/dbraw/zinc/81/61/40/386816140.db2.gz GOBPGMOBZHNSGZ-JTQLQIEISA-N -1 0 246.306 3.080 40 30 BGEBRM CCCCC(=N\O)/C(=N/[O-])c1ccc(CC)cc1 ZINC000006203120 342775042 /nfs/dbraw/zinc/77/50/42/342775042.db2.gz ARWQDTILOCZPGD-WXUKJITCSA-N -1 0 248.326 3.448 40 30 BGEBRM Cc1ccc2[n-]c(=S)c(C#N)cc2c1 ZINC000006533914 387133699 /nfs/dbraw/zinc/13/36/99/387133699.db2.gz DTHQCRQMVGTELS-UHFFFAOYSA-N -1 0 200.266 3.077 40 30 BGEBRM Cc1ccc2cc(C#N)c(=S)[n-]c2c1 ZINC000006533927 359932970 /nfs/dbraw/zinc/93/29/70/359932970.db2.gz TYNHOKWDZQESAU-UHFFFAOYSA-N -1 0 200.266 3.077 40 30 BGEBRM N#C[C@H](C(=O)[O-])C1(c2ccccc2)CCCCC1 ZINC000006574888 181063148 /nfs/dbraw/zinc/06/31/48/181063148.db2.gz HVKWHGWTODVXJE-CYBMUJFWSA-N -1 0 243.306 3.113 40 30 BGEBRM CC(=N/O)/C(=N\[O-])c1ccc(C2CCCC2)cc1 ZINC000006691168 384162553 /nfs/dbraw/zinc/16/25/53/384162553.db2.gz LAAIPVBUHSLDMX-OPQFGGCESA-N -1 0 246.310 3.373 40 30 BGEBRM CCCCC(=N\O)/C(=N/[O-])c1ccc(C)cc1 ZINC000006755970 188103094 /nfs/dbraw/zinc/10/30/94/188103094.db2.gz KLQVEYAFPOZWBM-QUMQEAAQSA-N -1 0 234.299 3.194 40 30 BGEBRM [O-]/N=C\c1ccccc1OCc1ccccc1F ZINC000006926925 181830844 /nfs/dbraw/zinc/83/08/44/181830844.db2.gz NVNWFMDMGZSJLR-SXGWCWSVSA-N -1 0 245.253 3.213 40 30 BGEBRM Oc1ccccc1/C=N\c1ccccc1[S-] ZINC000008649686 183300385 /nfs/dbraw/zinc/30/03/85/183300385.db2.gz RCDKQPLQNRHCGH-ZROIWOOFSA-N -1 0 229.304 3.432 40 30 BGEBRM O/N=C\c1cccc(OCc2ccccc2F)c1 ZINC000011802220 398267559 /nfs/dbraw/zinc/26/75/59/398267559.db2.gz YMWMRHQSRDWSMG-SXGWCWSVSA-N -1 0 245.253 3.213 40 30 BGEBRM CCCCCCOc1ccc(/C=N/O)cc1 ZINC000011864423 342843927 /nfs/dbraw/zinc/84/39/27/342843927.db2.gz QYDNPDYSYAFFQI-SDNWHVSQSA-N -1 0 221.300 3.454 40 30 BGEBRM Cc1cc(C)c2[n-]c(=S)c(C#N)cc2c1 ZINC000013483178 384866499 /nfs/dbraw/zinc/86/64/99/384866499.db2.gz VXYAITBUAWSETP-UHFFFAOYSA-N -1 0 214.293 3.012 40 30 BGEBRM Cc1ccc(C)c2[n-]c(=S)c(C#N)cc12 ZINC000013483180 343099605 /nfs/dbraw/zinc/09/96/05/343099605.db2.gz NJRDGDNPMIKZFX-UHFFFAOYSA-N -1 0 214.293 3.012 40 30 BGEBRM Cc1cc(C)c2cc(C#N)c(=S)[n-]c2c1 ZINC000013483182 384864687 /nfs/dbraw/zinc/86/46/87/384864687.db2.gz RIPWGURUVPZPLY-UHFFFAOYSA-N -1 0 214.293 3.012 40 30 BGEBRM CC/C(=N\[O-])C(=O)c1c(C)cc(C)cc1C ZINC000015442014 384935855 /nfs/dbraw/zinc/93/58/55/384935855.db2.gz RWPQJCLUZYJQIG-SDNWHVSQSA-N -1 0 219.284 3.035 40 30 BGEBRM O=C([O-])c1ccc(/N=C\c2cccs2)cc1 ZINC000015636463 342898904 /nfs/dbraw/zinc/89/89/04/342898904.db2.gz NFKOTVHQEVUACX-JYRVWZFOSA-N -1 0 231.276 3.197 40 30 BGEBRM Cc1ccc(COc2ccc(/C=N\O)cc2)cc1 ZINC000015990454 384373217 /nfs/dbraw/zinc/37/32/17/384373217.db2.gz YZTLIJZLYKZLKA-YBEGLDIGSA-N -1 0 241.290 3.382 40 30 BGEBRM O=C(/C=C/c1ccccc1)c1cc(F)ccc1[O-] ZINC000016159380 384453464 /nfs/dbraw/zinc/45/34/64/384453464.db2.gz FYCMOVNYZGSAEB-SOFGYWHQSA-N -1 0 242.249 3.427 40 30 BGEBRM O=C(/C=C/c1ccco1)c1cc(F)ccc1[O-] ZINC000016159387 384454355 /nfs/dbraw/zinc/45/43/55/384454355.db2.gz MHKPYZMVWULMGR-GQCTYLIASA-N -1 0 232.210 3.020 40 30 BGEBRM CCC/C(=N\O)c1cc(Cl)ccc1O ZINC000016611444 384463503 /nfs/dbraw/zinc/46/35/03/384463503.db2.gz OXWWAADNWIUNGZ-FMIVXFBMSA-N -1 0 213.664 3.024 40 30 BGEBRM CC(=O)c1ccccc1N=Cc1ccccc1O ZINC000016918423 384472904 /nfs/dbraw/zinc/47/29/04/384472904.db2.gz KUYNGCHXTNTNIZ-YBEGLDIGSA-N -1 0 239.274 3.345 40 30 BGEBRM N#CCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000016946621 181047897 /nfs/dbraw/zinc/04/78/97/181047897.db2.gz MUXHMXSQPLTKBU-UHFFFAOYSA-N -1 0 237.258 3.118 40 30 BGEBRM N#C[C@H](c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000017021063 188280849 /nfs/dbraw/zinc/28/08/49/188280849.db2.gz XLWVORUWUYSALI-CQSZACIVSA-N -1 0 237.258 3.040 40 30 BGEBRM O=C([O-])c1ccccc1/N=C\c1ccccc1 ZINC000017299588 342923326 /nfs/dbraw/zinc/92/33/26/342923326.db2.gz RSSOEXVKHMRAGG-GDNBJRDFSA-N -1 0 225.247 3.135 40 30 BGEBRM O=C(/C=C\c1cccs1)c1ccccc1[O-] ZINC000017303443 384895140 /nfs/dbraw/zinc/89/51/40/384895140.db2.gz KROMWFWQAIFUPA-FPLPWBNLSA-N -1 0 230.288 3.350 40 30 BGEBRM N#Cc1ccccc1-c1ccccc1/C=C\C(=O)[O-] ZINC000017328112 181144229 /nfs/dbraw/zinc/14/42/29/181144229.db2.gz ZOSJYZLGOLAZGI-KTKRTIGZSA-N -1 0 249.269 3.323 40 30 BGEBRM O=C(C/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC000017420899 384490034 /nfs/dbraw/zinc/49/00/34/384490034.db2.gz ZPOXIJFCDBGJFN-JQIJEIRASA-N -1 0 239.274 3.138 40 30 BGEBRM O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2)c1 ZINC000017427570 342924864 /nfs/dbraw/zinc/92/48/64/342924864.db2.gz YGHDLAGZWXIPNK-ZROIWOOFSA-N -1 0 242.234 3.051 40 30 BGEBRM CC(C)=CCCC(C)=C1C(=O)CC(C)C(=O)C1=O ZINC000018206332 370064480 /nfs/dbraw/zinc/06/44/80/370064480.db2.gz JZXORCGMYQZBBQ-SNVBAGLBSA-N -1 0 248.322 3.279 40 30 BGEBRM O=[N+]([O-])c1cc(/C=N/c2ccccc2)ccc1[O-] ZINC000025665277 188282715 /nfs/dbraw/zinc/28/27/15/188282715.db2.gz YILSMUQWQWNQDW-NTEUORMPSA-N -1 0 242.234 3.051 40 30 BGEBRM C#CCC(C)(C)CC(=O)C=C([O-])c1ccccc1 ZINC000026896995 518247294 /nfs/dbraw/zinc/24/72/94/518247294.db2.gz DJCPYEGHDHDAER-UHFFFAOYSA-N -1 0 242.318 3.268 40 30 BGEBRM C#CC(C)(C)CCC(=O)C=C([O-])c1ccccc1 ZINC000026896997 166108411 /nfs/dbraw/zinc/10/84/11/166108411.db2.gz ADXGCWRRANDFRG-UHFFFAOYSA-N -1 0 242.318 3.268 40 30 BGEBRM CC#CCCCC(=O)C=C([O-])c1ccccc1 ZINC000026897315 343675210 /nfs/dbraw/zinc/67/52/10/343675210.db2.gz RIKBGNGLCGCHBN-UHFFFAOYSA-N -1 0 228.291 3.022 40 30 BGEBRM C#CCCCCC(=O)C=C([O-])c1ccccc1 ZINC000026897317 518247226 /nfs/dbraw/zinc/24/72/26/518247226.db2.gz LAIRJBKZEJMLMH-UHFFFAOYSA-N -1 0 228.291 3.022 40 30 BGEBRM [O-]/N=C(\Cl)c1cccc2ccccc21 ZINC000034217007 385276057 /nfs/dbraw/zinc/27/60/57/385276057.db2.gz VDSBIVTXOOTQIP-QBFSEMIESA-N -1 0 205.644 3.214 40 30 BGEBRM N#C[C@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000034573370 181063827 /nfs/dbraw/zinc/06/38/27/181063827.db2.gz YPWDURPSIHDKSW-LURJTMIESA-N -1 0 244.077 3.075 40 30 BGEBRM N#C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000034573372 181054082 /nfs/dbraw/zinc/05/40/82/181054082.db2.gz YPWDURPSIHDKSW-ZCFIWIBFSA-N -1 0 244.077 3.075 40 30 BGEBRM CCc1cc([S-])c(C#N)c2c1CCCC2 ZINC000036625070 361182391 /nfs/dbraw/zinc/18/23/91/361182391.db2.gz NKUNTIYCNBTURC-UHFFFAOYSA-N -1 0 217.337 3.288 40 30 BGEBRM C=C(C)C1(C(=O)[O-])[C@@H]2CC[C@H]1c1ccccc12 ZINC000045028057 187355298 /nfs/dbraw/zinc/35/52/98/187355298.db2.gz NLOZJNQTNWEEGC-NNQSOWQGSA-N -1 0 228.291 3.308 40 30 BGEBRM O=C([O-])c1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC000060044377 368410616 /nfs/dbraw/zinc/41/06/16/368410616.db2.gz QHKCPYGAFOJMEG-CXUHLZMHSA-N -1 0 243.237 3.275 40 30 BGEBRM CCCCCCCCCCC[C@@H](O)C(=O)[O-] ZINC000062240558 168649826 /nfs/dbraw/zinc/64/98/26/168649826.db2.gz KCEUZVYQPROALO-GFCCVEGCSA-N -1 0 230.348 3.353 40 30 in-vitro BGEBRM C=CCn1c(C(=O)[O-])cc2scc(Cl)c21 ZINC000072226026 259322557 /nfs/dbraw/zinc/32/25/57/259322557.db2.gz DHIBIWCWCWTREO-UHFFFAOYSA-N -1 0 241.699 3.240 40 30 BGEBRM C=CCOc1cc(C(=O)[O-])ccc1C(C)C ZINC000072226053 259323035 /nfs/dbraw/zinc/32/30/35/259323035.db2.gz XJRPZHQEFHREEI-UHFFFAOYSA-N -1 0 220.268 3.073 40 30 BGEBRM C=C(C)COc1cc(C(=O)[O-])cc2occc21 ZINC000072228304 259322839 /nfs/dbraw/zinc/32/28/39/259322839.db2.gz FDEJXCNSXSJHIO-UHFFFAOYSA-N -1 0 232.235 3.086 40 30 BGEBRM C=CCOc1cc(C(=O)[O-])cc2oc(C)cc21 ZINC000072228317 385128699 /nfs/dbraw/zinc/12/86/99/385128699.db2.gz KRPFPRHVKINOKM-UHFFFAOYSA-N -1 0 232.235 3.004 40 30 BGEBRM C=C(C)COc1cc(C(=O)[O-])cc2oc(C)cc21 ZINC000072228319 385127591 /nfs/dbraw/zinc/12/75/91/385127591.db2.gz JZTHTIRSJQTIJP-UHFFFAOYSA-N -1 0 246.262 3.394 40 30 BGEBRM C=CCOc1cc(C(=O)[O-])cc2sccc21 ZINC000072228329 166422595 /nfs/dbraw/zinc/42/25/95/166422595.db2.gz UGPJVTCMUQQYOK-UHFFFAOYSA-N -1 0 234.276 3.164 40 30 BGEBRM C=CCOc1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000085398503 166423281 /nfs/dbraw/zinc/42/32/81/166423281.db2.gz XGINRDUVYHMVST-UHFFFAOYSA-N -1 0 234.295 3.004 40 30 BGEBRM O=C([O-])[C@@H](S)c1cc(Cl)ccc1Cl ZINC000085482983 384949552 /nfs/dbraw/zinc/94/95/52/384949552.db2.gz CRTGVRQQKMHWLD-ZETCQYMHSA-N -1 0 237.107 3.049 40 30 BGEBRM O=C([O-])[C@H](S)c1cc(Cl)ccc1Cl ZINC000085482985 384949482 /nfs/dbraw/zinc/94/94/82/384949482.db2.gz CRTGVRQQKMHWLD-SSDOTTSWSA-N -1 0 237.107 3.049 40 30 BGEBRM N#Cc1ccc(N(C(=O)[O-])c2ccccc2)cc1 ZINC000087492926 181113688 /nfs/dbraw/zinc/11/36/88/181113688.db2.gz MKKLVVXNYHPECJ-UHFFFAOYSA-N -1 0 238.246 3.374 40 30 BGEBRM O=[N+]([O-])c1ccc([O-])c(/N=C\c2ccccc2)c1 ZINC000090719160 384071167 /nfs/dbraw/zinc/07/11/67/384071167.db2.gz NNTURZUKNVOWBH-ZROIWOOFSA-N -1 0 242.234 3.051 40 30 BGEBRM COc1c(Cl)c(N=[N+]=[N-])sc1C(=O)[O-] ZINC000096511037 385249649 /nfs/dbraw/zinc/24/96/49/385249649.db2.gz KFDRWCPSLAZSGW-UHFFFAOYSA-N -1 0 233.636 3.050 40 30 BGEBRM [O-]/N=C\c1ccccc1SC(F)(F)F ZINC000098210542 384605291 /nfs/dbraw/zinc/60/52/91/384605291.db2.gz QMVQUWFRXJRUQH-XGICHPGQSA-N -1 0 221.203 3.107 40 30 BGEBRM O=C(C=C([O-])c1ccccc1)c1ccccc1O ZINC000100069442 384776296 /nfs/dbraw/zinc/77/62/96/384776296.db2.gz AOJIJXJCNKMEET-UVTDQMKNSA-N -1 0 240.258 3.174 40 30 BGEBRM O=C(C=C([O-])C(F)(F)F)c1ccc(F)cc1 ZINC000100244395 384625225 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GAIYRENJSTYBLQ-ZROIWOOFSA-N -1 0 248.282 3.052 40 30 BGEBRM Cc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1 ZINC000408911569 191115431 /nfs/dbraw/zinc/11/54/31/191115431.db2.gz NXYUGHPEWGMRRL-RIYZIHGNSA-N -1 0 229.235 3.037 40 30 BGEBRM