smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc(C(=O)[O-])c(Cl)c1)O2 ZINC000833747107 605157625 /nfs/dbraw/zinc/15/76/25/605157625.db2.gz QWFNQJZWWAZSLZ-UHFFFAOYSA-N -2 0 346.726 3.053 20 30 EGEDRL O=C([O-])CCOc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c1 ZINC000757471450 1300672983 /nfs/dbraw/zinc/67/29/83/1300672983.db2.gz CJYWXYZCYOJQGU-PLNGDYQASA-N -2 0 348.301 3.420 20 30 EGEDRL COc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c([O-])c1 ZINC000757471562 1300673126 /nfs/dbraw/zinc/67/31/26/1300673126.db2.gz GDCNFXYEQDCGIM-PWWFUAJNSA-N -2 0 342.347 3.149 20 30 EGEDRL COCCOc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000757474621 1300675456 /nfs/dbraw/zinc/67/54/56/1300675456.db2.gz VNQJKVLNYBADQS-SOFGYWHQSA-N -2 0 342.347 3.012 20 30 EGEDRL Cn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c(-c2ccccc2)n1 ZINC000771524702 1303417855 /nfs/dbraw/zinc/41/78/55/1303417855.db2.gz MOTFBZXWXPCEKS-CSKARUKUSA-N -2 0 348.358 3.387 20 30 EGEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000794940942 1309626588 /nfs/dbraw/zinc/62/65/88/1309626588.db2.gz GLDDDUXJYSAUBJ-HYXAFXHYSA-N -3 0 340.331 3.302 20 30 EGEDRL O=C([O-])CCOc1cccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000806558511 1317500908 /nfs/dbraw/zinc/50/09/08/1317500908.db2.gz FBZSWNDDIDKURI-FPLPWBNLSA-N -2 0 340.331 3.134 20 30 EGEDRL O=[P@@]([O-])(O)C1(Nc2ccc(CS)cc2)Cc2ccccc2C1 ZINC001167940511 1383773243 /nfs/dbraw/zinc/77/32/43/1383773243.db2.gz YGFANJSIRMBKLQ-UHFFFAOYSA-N -2 0 335.365 3.201 20 30 EGEDRL CC(N=Nc1cccc(C(=O)[O-])c1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001589017343 985002633 /nfs/dbraw/zinc/00/26/33/985002633.db2.gz JSDFHTXOXHKDER-PWSUYJOCSA-N -2 0 336.363 3.449 20 30 EGEDRL C[C@H](Oc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1)C(=O)[O-] ZINC000794701707 602112293 /nfs/dbraw/zinc/11/22/93/602112293.db2.gz NSAWYQNNLYZHDP-OHYQPGSNSA-N -2 0 330.311 3.279 20 30 EGEDRL C[C@@H](Oc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1)C(=O)[O-] ZINC000757469035 1300673594 /nfs/dbraw/zinc/67/35/94/1300673594.db2.gz YOESPHDMQLYGSU-JPVGGKMYSA-N -2 0 330.311 3.279 20 30 EGEDRL COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c(C)c1OC ZINC000806573667 1317504161 /nfs/dbraw/zinc/50/41/61/1317504161.db2.gz PIOIBVLFGHUUJF-QPJJXVBHSA-N -2 0 342.347 3.312 20 30 EGEDRL C=CCOc1ccccc1[C@H](C)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001171375981 1384505352 /nfs/dbraw/zinc/50/53/52/1384505352.db2.gz JSQCQQQYAOVEMV-ZDUSSCGKSA-N -2 0 333.324 3.228 20 30 EGEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(Cl)ccc1[O-] ZINC000822923521 1427311232 /nfs/dbraw/zinc/31/12/32/1427311232.db2.gz SPWFFNDBDUBESO-GORDUTHDSA-N -2 0 332.772 3.183 20 30 EGEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749603355 1299245190 /nfs/dbraw/zinc/24/51/90/1299245190.db2.gz HDYSYIINMNIOIX-UHFFFAOYSA-N -2 0 349.730 3.488 20 30 EGEDRL O=C([O-])c1cc(NN=Cc2cc(F)c([O-])c(F)c2)ccc1Cl ZINC000749853286 1299287389 /nfs/dbraw/zinc/28/73/89/1299287389.db2.gz ISRACHQJFPTWCI-UHFFFAOYSA-N -2 0 326.686 3.468 20 30 EGEDRL COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc(OC)c1 ZINC000757471345 1300672878 /nfs/dbraw/zinc/67/28/78/1300672878.db2.gz AWARCIHAOAJFIO-HWKANZROSA-N -2 0 328.320 3.004 20 30 EGEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1 ZINC000757468178 1300673455 /nfs/dbraw/zinc/67/34/55/1300673455.db2.gz PSPKRQUCPKXNQQ-XVNBXDOJSA-N -2 0 330.311 3.281 20 30 EGEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1 ZINC000757474409 1300675090 /nfs/dbraw/zinc/67/50/90/1300675090.db2.gz AXYVTWLAXPHMRN-FPYGCLRLSA-N -2 0 330.311 3.281 20 30 EGEDRL Cc1ccccc1-n1nccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000794941666 1309626866 /nfs/dbraw/zinc/62/68/66/1309626866.db2.gz ULKKUQMPYYRCLB-CLFYSBASSA-N -2 0 348.358 3.481 20 30 EGEDRL COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c(C)c1OC ZINC000806573666 1317504124 /nfs/dbraw/zinc/50/41/24/1317504124.db2.gz PIOIBVLFGHUUJF-DAXSKMNVSA-N -2 0 342.347 3.312 20 30 EGEDRL CCC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000916582147 1319678690 /nfs/dbraw/zinc/67/86/90/1319678690.db2.gz OSHJOKUWIJQGQS-UHFFFAOYSA-N -2 0 342.186 3.124 20 30 EGEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCCC(=O)[O-] ZINC001594249728 959602224 /nfs/dbraw/zinc/60/22/24/959602224.db2.gz DHZURGQBKZDTQS-ZDUSSCGKSA-N -2 0 326.352 3.013 20 30 EGEDRL O=C([O-])Nc1ccc(CCN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000740015343 576532655 /nfs/dbraw/zinc/53/26/55/576532655.db2.gz CYEIODZMQKTSHS-LICLKQGHSA-N -2 0 329.312 3.052 20 30 EGEDRL CCCCC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000829311197 601365348 /nfs/dbraw/zinc/36/53/48/601365348.db2.gz BSQORFMSUQZGBQ-AXLKIAQESA-N -2 0 328.752 3.406 20 30 EGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cncc(Br)c2)c1 ZINC000767357289 1302650634 /nfs/dbraw/zinc/65/06/34/1302650634.db2.gz GUHWHENTFSMIOF-IWQZZHSRSA-N -2 0 348.152 3.144 20 30 EGEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000794940941 1309626661 /nfs/dbraw/zinc/62/66/61/1309626661.db2.gz GLDDDUXJYSAUBJ-HWKANZROSA-N -3 0 340.331 3.302 20 30 EGEDRL O=C([O-])[C@@H]1C/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806560433 1317501249 /nfs/dbraw/zinc/50/12/49/1317501249.db2.gz LWCJLMZCBYDAMK-SMJHDNPOSA-N -2 0 339.303 3.139 20 30 EGEDRL CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814681126 1318799845 /nfs/dbraw/zinc/79/98/45/1318799845.db2.gz XVRAWGMCUYTGHC-LBPRGKRZSA-N -2 0 342.351 3.073 20 30 EGEDRL C[C@@H](C#N)c1ccc(NC(=O)c2ccccc2OP(=O)([O-])[O-])cc1 ZINC001189888655 1367123257 /nfs/dbraw/zinc/12/32/57/1367123257.db2.gz IFCWNCBGYRSESI-NSHDSACASA-N -2 0 346.279 3.037 20 30 EGEDRL O=C([O-])[C@H](Cc1ccccc1)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000740057363 576540704 /nfs/dbraw/zinc/54/07/04/576540704.db2.gz XOTRKEJXUIAKDL-VVSAQIQQSA-N -2 0 348.742 3.069 20 30 EGEDRL C[C@@H](Sc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-])C(=O)[O-] ZINC000833545959 604798298 /nfs/dbraw/zinc/79/82/98/604798298.db2.gz XANJBDOLWPYJCH-SNVBAGLBSA-N -2 0 342.376 3.081 20 30 EGEDRL COc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c([O-])c1 ZINC000757473562 1300674921 /nfs/dbraw/zinc/67/49/21/1300674921.db2.gz YEPBIMCKTFTVIS-YVMONPNESA-N -2 0 342.347 3.150 20 30 EGEDRL COc1cccc(OC)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000776190770 1304109918 /nfs/dbraw/zinc/10/99/18/1304109918.db2.gz YUONYOHAASVPDM-CLFYSBASSA-N -2 0 328.320 3.004 20 30 EGEDRL O=C([O-])c1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)c([O-])c1 ZINC000806558775 1317500702 /nfs/dbraw/zinc/50/07/02/1317500702.db2.gz LFJYVNAWFAKJFL-WTKPLQERSA-N -2 0 334.331 3.172 20 30 EGEDRL C#C[C@@H](CCC)Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234123668 1376770773 /nfs/dbraw/zinc/77/07/73/1376770773.db2.gz GJGQYDMEMNUDEC-NSHDSACASA-N -2 0 340.331 3.244 20 30 EGEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000588480242 974965284 /nfs/dbraw/zinc/96/52/84/974965284.db2.gz DIUSIIODVAHVJY-CLTKARDFSA-N -2 0 332.739 3.405 20 30 EGEDRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000342781199 457522393 /nfs/dbraw/zinc/52/23/93/457522393.db2.gz NGDMOHOFDFISBV-UHFFFAOYSA-N -2 0 346.408 3.003 20 30 EGEDRL CN(Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1)C(=O)[O-] ZINC000737476661 576235162 /nfs/dbraw/zinc/23/51/62/576235162.db2.gz MIAHILKXXOZHJV-UHFFFAOYSA-N -2 0 329.312 3.161 20 30 EGEDRL O=C([O-])CCCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000739683293 576497248 /nfs/dbraw/zinc/49/72/48/576497248.db2.gz SQYGXUPUNVRINQ-UHFFFAOYSA-N -2 0 344.323 3.295 20 30 EGEDRL COCCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000757471745 1300673555 /nfs/dbraw/zinc/67/35/55/1300673555.db2.gz DGEOXRATKOQBRP-ALCCZGGFSA-N -2 0 342.347 3.012 20 30 EGEDRL COc1ccc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)c([O-])c1 ZINC000757471563 1300673585 /nfs/dbraw/zinc/67/35/85/1300673585.db2.gz GDCNFXYEQDCGIM-UVMWJGKXSA-N -2 0 342.347 3.149 20 30 EGEDRL O=C([O-])c1ccccc1NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000812441722 1318393552 /nfs/dbraw/zinc/39/35/52/1318393552.db2.gz FVUPMORBPAAXLA-UHFFFAOYSA-N -2 0 335.703 3.098 20 30 EGEDRL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1scc([O-])c1C#N ZINC001195277136 1368413256 /nfs/dbraw/zinc/41/32/56/1368413256.db2.gz FNNHJZYQCIJBMF-UHFFFAOYSA-N -2 0 328.802 3.088 20 30 EGEDRL COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814886999 978895965 /nfs/dbraw/zinc/89/59/65/978895965.db2.gz LYYLJDPKTPSRSD-UHFFFAOYSA-N -2 0 348.742 3.191 20 30 EGEDRL O=C([O-])CSCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000739868887 576511904 /nfs/dbraw/zinc/51/19/04/576511904.db2.gz UCNJKYQPNWCNSU-UHFFFAOYSA-N -2 0 346.364 3.369 20 30 EGEDRL C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1)C(=O)[O-] ZINC000794705870 602110687 /nfs/dbraw/zinc/11/06/87/602110687.db2.gz BQFLXTNMOYSGOZ-LAUIRUGDSA-N -2 0 330.311 3.279 20 30 EGEDRL C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1)C(=O)[O-] ZINC000827894958 604626997 /nfs/dbraw/zinc/62/69/97/604626997.db2.gz CYLLHIVPXVDSNW-SBKJXLNCSA-N -2 0 340.331 3.133 20 30 EGEDRL CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000833386516 605156121 /nfs/dbraw/zinc/15/61/21/605156121.db2.gz LYDOWIOQMZMNEV-UHFFFAOYSA-N -2 0 349.730 3.488 20 30 EGEDRL O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1 ZINC000255423118 1296532161 /nfs/dbraw/zinc/53/21/61/1296532161.db2.gz QZQYFBHXRVSULW-XQRVVYSFSA-N -2 0 330.311 3.281 20 30 EGEDRL C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1)C(=O)[O-] ZINC000255809294 1296568690 /nfs/dbraw/zinc/56/86/90/1296568690.db2.gz NMQJRWYPBFPBLQ-JPVGGKMYSA-N -2 0 330.311 3.279 20 30 EGEDRL COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c(OC)c1 ZINC000757471824 1300673761 /nfs/dbraw/zinc/67/37/61/1300673761.db2.gz FMNNXURZISLOPI-DAXSKMNVSA-N -2 0 328.320 3.004 20 30 EGEDRL CCOc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1O ZINC000757475169 1300675389 /nfs/dbraw/zinc/67/53/89/1300675389.db2.gz ZFCDGMRWOJDJHI-UTCJRWHESA-N -2 0 328.320 3.091 20 30 EGEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c([O-])c1 ZINC000806561043 1317501932 /nfs/dbraw/zinc/50/19/32/1317501932.db2.gz QTUXFJIKAMXHHZ-ALCCZGGFSA-N -3 0 346.722 3.338 20 30 EGEDRL O=C([O-])[C@@H]1C/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)c2ccccc21 ZINC000806560430 1317502028 /nfs/dbraw/zinc/50/20/28/1317502028.db2.gz LWCJLMZCBYDAMK-DPQIITEBSA-N -2 0 339.303 3.139 20 30 EGEDRL Cc1c(C(=O)[O-])oc2c1C(=NNc1cccc(C(=O)[O-])c1C)CCC2 ZINC000844625272 1321626800 /nfs/dbraw/zinc/62/68/00/1321626800.db2.gz XYDOYBZCESUBNW-UHFFFAOYSA-N -2 0 342.351 3.445 20 30 EGEDRL N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155187335 1380421429 /nfs/dbraw/zinc/42/14/29/1380421429.db2.gz YNKZSYLLBTYNKT-UHFFFAOYSA-N -2 0 333.685 3.013 20 30 EGEDRL Cc1[n-][nH]c(=NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])c1C#N ZINC000588717464 459974250 /nfs/dbraw/zinc/97/42/50/459974250.db2.gz LWVADFFSNVGMAM-UHFFFAOYSA-N -2 0 326.400 3.216 20 30 EGEDRL O=C([O-])CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000739660293 576494138 /nfs/dbraw/zinc/49/41/38/576494138.db2.gz WRPRKZZDLPBTSH-LZNAANCOSA-N -2 0 328.324 3.325 20 30 EGEDRL CCCCC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)[O-] ZINC000829311201 601365476 /nfs/dbraw/zinc/36/54/76/601365476.db2.gz BSQORFMSUQZGBQ-FSKGUYTJSA-N -2 0 328.752 3.406 20 30 EGEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cc(F)c([O-])c(F)c1)CC2 ZINC000749892193 1299293967 /nfs/dbraw/zinc/29/39/67/1299293967.db2.gz SKNLMDHKKHQWAC-RUDMXATFSA-N -2 0 334.274 3.483 20 30 EGEDRL O=C([O-])CCOc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1 ZINC000757468955 1300672767 /nfs/dbraw/zinc/67/27/67/1300672767.db2.gz WKIPBOPKKJWXQP-XQRVVYSFSA-N -2 0 330.311 3.281 20 30 EGEDRL CCOc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])ccc1O ZINC000806558693 1317500552 /nfs/dbraw/zinc/50/05/52/1317500552.db2.gz JFSLDNNSKXGTDQ-XVNBXDOJSA-N -2 0 328.320 3.091 20 30 EGEDRL Cc1cc(CC#N)ccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939682 1383773043 /nfs/dbraw/zinc/77/30/43/1383773043.db2.gz OLVWERHPHBMYBP-UHFFFAOYSA-N -2 0 342.335 3.146 20 30 EGEDRL C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001593612965 995818308 /nfs/dbraw/zinc/81/83/08/995818308.db2.gz FFTSBADKHSXHMC-QNCMIEPLSA-N -2 0 340.331 3.133 20 30 EGEDRL C[C@H](Oc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000730149345 574925843 /nfs/dbraw/zinc/92/58/43/574925843.db2.gz VWVOEYDUMUFPOS-PORFMDCZSA-N -2 0 346.360 3.194 20 30 EGEDRL O=C([O-])C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000833174735 601366222 /nfs/dbraw/zinc/36/62/22/601366222.db2.gz VIMXTILTRBEVQL-FRKPEAEDSA-N -2 0 326.736 3.018 20 30 EGEDRL C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1)C(=O)[O-] ZINC000794702434 602112403 /nfs/dbraw/zinc/11/24/03/602112403.db2.gz QFGJYKOGZAZFJI-VCFDLTMXSA-N -2 0 330.311 3.279 20 30 EGEDRL CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000835009554 1293186450 /nfs/dbraw/zinc/18/64/50/1293186450.db2.gz VIGKCPUSKUUKAB-MFKMUULPSA-N -2 0 336.363 3.449 20 30 EGEDRL C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000746684023 1298639154 /nfs/dbraw/zinc/63/91/54/1298639154.db2.gz JESLJUNZKWXVCW-WWQCOOJYSA-N -2 0 346.360 3.194 20 30 EGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1 ZINC000757471421 1300673789 /nfs/dbraw/zinc/67/37/89/1300673789.db2.gz BXBXSQOXHMNSBK-SOFGYWHQSA-N -2 0 346.342 3.444 20 30 EGEDRL Cc1cn2c(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])c(C)nc2s1 ZINC000757473697 1300675621 /nfs/dbraw/zinc/67/56/21/1300675621.db2.gz NWLSIPCKZRZMEX-GQCTYLIASA-N -2 0 342.376 3.313 20 30 EGEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(C(=O)[O-])c1Cl ZINC000345756402 456991688 /nfs/dbraw/zinc/99/16/88/456991688.db2.gz BEEAFTVPMMOTDK-XQRVVYSFSA-N -2 0 328.711 3.173 20 30 EGEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000772807018 1303579967 /nfs/dbraw/zinc/57/99/67/1303579967.db2.gz OVJGKVZIUABDNP-RMKNXTFCSA-N -2 0 343.291 3.113 20 30 EGEDRL 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EGEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000730149343 574925965 /nfs/dbraw/zinc/92/59/65/574925965.db2.gz VWVOEYDUMUFPOS-OMMCCPJFSA-N -2 0 346.360 3.194 20 30 EGEDRL O=C([O-])COc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1 ZINC000833252816 601393860 /nfs/dbraw/zinc/39/38/60/601393860.db2.gz HWAMCCLZKYWDBR-BHQIHCQQSA-N -2 0 334.274 3.030 20 30 EGEDRL O=C([O-])c1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000833328723 601845319 /nfs/dbraw/zinc/84/53/19/601845319.db2.gz CKGDMVZFXQNECT-CAOOACKPSA-N -2 0 334.715 3.271 20 30 EGEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000746684019 1298640313 /nfs/dbraw/zinc/64/03/13/1298640313.db2.gz JESLJUNZKWXVCW-OMMCCPJFSA-N -2 0 346.360 3.194 20 30 EGEDRL C[C@H](Oc1cccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1)C(=O)[O-] ZINC000749891431 1299294560 /nfs/dbraw/zinc/29/45/60/1299294560.db2.gz JYJPIYRRNAMKMU-OMMCCPJFSA-N -2 0 348.301 3.418 20 30 EGEDRL C=C[C@]1(C)CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C(C)(C)O1 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ZINC000749885384 1299291651 /nfs/dbraw/zinc/29/16/51/1299291651.db2.gz CQDUYUQEXQKFAP-SNAWJCMRSA-N -2 0 334.274 3.030 20 30 EGEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cc(F)c([O-])c(F)c1)CC2 ZINC000749892194 1299293724 /nfs/dbraw/zinc/29/37/24/1299293724.db2.gz SKNLMDHKKHQWAC-WTKPLQERSA-N -2 0 334.274 3.483 20 30 EGEDRL C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753771699 1300018056 /nfs/dbraw/zinc/01/80/56/1300018056.db2.gz PQBVFUCFDRVJOQ-UHFFFAOYSA-N -2 0 349.795 3.129 20 30 EGEDRL COc1cc(/C=C\C(=O)c2ccc(C)cc2[O-])ccc1OCC(=O)[O-] ZINC000757475003 1300674638 /nfs/dbraw/zinc/67/46/38/1300674638.db2.gz FIRSRCQPIXQHFR-DAXSKMNVSA-N -2 0 342.347 3.069 20 30 EGEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758095186 1300784751 /nfs/dbraw/zinc/78/47/51/1300784751.db2.gz USXZHNZNRYPOCA-UHFFFAOYSA-N -2 0 349.730 3.488 20 30 EGEDRL COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C(=O)[O-])c(F)c1 ZINC000776776072 1304197484 /nfs/dbraw/zinc/19/74/84/1304197484.db2.gz 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30 EGEDRL Cc1cc(/C=C\C(=O)c2ccccc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832880742 601825966 /nfs/dbraw/zinc/82/59/66/601825966.db2.gz GMQKRPYEABDLIL-FPLPWBNLSA-N -2 0 326.348 3.369 20 30 EGEDRL CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cc(C(=O)[O-])ccc1O ZINC000833386612 605156179 /nfs/dbraw/zinc/15/61/79/605156179.db2.gz MUTHKXYBOOEWLS-UHFFFAOYSA-N -2 0 348.742 3.278 20 30 EGEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000160716728 1294275930 /nfs/dbraw/zinc/27/59/30/1294275930.db2.gz MDVFPTBGLOHJRR-UHFFFAOYSA-N -2 0 343.191 3.371 20 30 EGEDRL O=C([O-])c1cc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)ccc1Cl ZINC000748131788 1298934135 /nfs/dbraw/zinc/93/41/35/1298934135.db2.gz NZVKYSMMVYGHQF-UHFFFAOYSA-N -2 0 335.703 3.098 20 30 EGEDRL O=C([O-])CCOc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c1 ZINC000757471451 1300673089 /nfs/dbraw/zinc/67/30/89/1300673089.db2.gz CJYWXYZCYOJQGU-SNAWJCMRSA-N -2 0 348.301 3.420 20 30 EGEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1)C(=O)[O-] ZINC000757469038 1300673952 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