smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000555859186 318371983 /nfs/dbraw/zinc/37/19/83/318371983.db2.gz YMQSQSXPXXSIOP-UHFFFAOYSA-N -2 0 340.357 2.566 10 30 EFEERL C=CCCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000291934778 474760122 /nfs/dbraw/zinc/76/01/22/474760122.db2.gz XEFBZOPLOVLNPD-UHFFFAOYSA-N -2 0 327.402 2.880 10 30 EFEERL COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000764638643 576483208 /nfs/dbraw/zinc/48/32/08/576483208.db2.gz AEEUTVYSPKEOIL-UHFFFAOYSA-N -2 0 345.311 2.843 10 30 EFEERL COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000764650593 576484908 /nfs/dbraw/zinc/48/49/08/576484908.db2.gz XXVMXZUUGLAJQN-UHFFFAOYSA-N -2 0 345.311 2.843 10 30 EFEERL CCC(=NN=c1cc[nH]n1C)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814907678 1287145716 /nfs/dbraw/zinc/14/57/16/1287145716.db2.gz ULTQRCXSBRNNFW-UHFFFAOYSA-N -2 0 344.415 2.702 10 30 EFEERL Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c([O-])cc2Cl)c(=O)o1 ZINC000134356383 714411320 /nfs/dbraw/zinc/41/13/20/714411320.db2.gz LGXHPHGYCASQOW-HSWBROFVSA-N -2 0 341.146 2.927 10 30 EFEERL O=C([O-])c1cc(-c2ccc(NC(=O)/C=N/[O-])cc2)nc2ccccc21 ZINC000020533842 212144439 /nfs/dbraw/zinc/14/44/39/212144439.db2.gz FAXWMSLOFPVIJU-VXLYETTFSA-N -2 0 335.319 2.999 10 30 EFEERL Cc1ccc(C(=O)[O-])cc1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001953314 301532414 /nfs/dbraw/zinc/53/24/14/301532414.db2.gz ZUBNIWGXJCPOSS-FRKPEAEDSA-N -2 0 345.267 2.966 10 30 EFEERL Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])cc1C ZINC000358490479 475719120 /nfs/dbraw/zinc/71/91/20/475719120.db2.gz CLQNALSLRJJHHA-UHFFFAOYSA-N -2 0 330.365 2.674 10 30 EFEERL C=CCCCS(=O)(=O)[N-]c1c(OCC)ccc(F)c1C(=O)[O-] ZINC000578479413 479605989 /nfs/dbraw/zinc/60/59/89/479605989.db2.gz APZBSTIDAJJLPP-UHFFFAOYSA-N -2 0 331.365 2.631 10 30 EFEERL COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000757471853 575840045 /nfs/dbraw/zinc/84/00/45/575840045.db2.gz FRIDEFDQXAONHU-DJWKRKHSSA-N -2 0 343.291 2.903 10 30 EFEERL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c1 ZINC000757472831 575840085 /nfs/dbraw/zinc/84/00/85/575840085.db2.gz KYCYAROQXBMFOA-XVNBXDOJSA-N -2 0 335.319 2.567 10 30 EFEERL Cn1nc2c(c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-])CCCC2 ZINC000865221564 1303193749 /nfs/dbraw/zinc/19/37/49/1303193749.db2.gz YVQPLQQVVDZBAR-CLFYSBASSA-N -2 0 326.352 2.599 10 30 EFEERL Cn1nc2c(c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-])CCCC2 ZINC000865225123 1303194650 /nfs/dbraw/zinc/19/46/50/1303194650.db2.gz YGEDRKJPALMNFD-CMDGGOBGSA-N -2 0 326.352 2.599 10 30 EFEERL N#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000074932513 1102502188 /nfs/dbraw/zinc/50/21/88/1102502188.db2.gz RYLFZQQPXQJYES-UHFFFAOYSA-N -2 0 336.756 2.711 10 30 EFEERL C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1 ZINC000349107489 475904369 /nfs/dbraw/zinc/90/43/69/475904369.db2.gz JYVPYAWBFYBABI-RMKNXTFCSA-N -2 0 326.352 2.853 10 30 EFEERL Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c([O-])cc2Cl)c(=O)o1 ZINC000759072811 575884078 /nfs/dbraw/zinc/88/40/78/575884078.db2.gz LGXHPHGYCASQOW-SFAKSCPVSA-N -2 0 341.146 2.927 10 30 EFEERL COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c([N+](=O)[O-])cc1O ZINC000096930475 1294590629 /nfs/dbraw/zinc/59/06/29/1294590629.db2.gz CCKXZXCVDFECLG-PJQLUOCWSA-N -2 0 329.264 2.631 10 30 EFEERL COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000757471855 575840013 /nfs/dbraw/zinc/84/00/13/575840013.db2.gz FRIDEFDQXAONHU-GORDUTHDSA-N -2 0 343.291 2.903 10 30 EFEERL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cnnn2Cc2ccccc2)c1 ZINC000792885728 1279241881 /nfs/dbraw/zinc/24/18/81/1279241881.db2.gz QWLDNBYWHZLYMB-CLFYSBASSA-N -2 0 349.346 2.626 10 30 EFEERL Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C(=O)[O-])cc1C ZINC000435477322 248245387 /nfs/dbraw/zinc/24/53/87/248245387.db2.gz AEWPWTORKLQTIU-UHFFFAOYSA-N -2 0 336.394 2.736 10 30 EFEERL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000132683950 472749292 /nfs/dbraw/zinc/74/92/92/472749292.db2.gz VOWMIZOEKPFFCL-UHFFFAOYSA-N -2 0 348.355 2.759 10 30 EFEERL CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])c1 ZINC000362431821 476242648 /nfs/dbraw/zinc/24/26/48/476242648.db2.gz VYFGSGZKVNWBPP-UHFFFAOYSA-N -2 0 348.355 2.759 10 30 EFEERL C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000790665832 1277706156 /nfs/dbraw/zinc/70/61/56/1277706156.db2.gz OLMFLFLHJPOQDA-UHFFFAOYSA-N -2 0 338.212 2.936 10 30 EFEERL O=C([O-])c1ccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000806561630 1281096196 /nfs/dbraw/zinc/09/61/96/1281096196.db2.gz XECGFLOLQCEIDC-FPYGCLRLSA-N -2 0 335.319 2.567 10 30 EFEERL Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC001631109185 1100370875 /nfs/dbraw/zinc/37/08/75/1100370875.db2.gz GUYZJYRPRCBVLE-UHFFFAOYSA-N -2 0 326.337 2.650 10 30 EFEERL O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000031540247 472382305 /nfs/dbraw/zinc/38/23/05/472382305.db2.gz HXSSCTOWBWPFEV-KMKOMSMNSA-N -2 0 326.304 2.744 10 30 EFEERL Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C#N)cccc1C(=O)[O-] ZINC000132563241 472742226 /nfs/dbraw/zinc/74/22/26/472742226.db2.gz ZVFCGJHNDIRKGF-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL O=C([O-])c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000252595382 474699137 /nfs/dbraw/zinc/69/91/37/474699137.db2.gz CAPPGCUBNONDCY-UHFFFAOYSA-N -2 0 332.323 2.650 10 30 EFEERL COc1ccc(C=Nc2ccccc2C(=O)[O-])c(C(=O)[O-])c1OC ZINC000252619606 474700690 /nfs/dbraw/zinc/70/06/90/474700690.db2.gz LQVWFFBLBBKISB-UHFFFAOYSA-N -2 0 329.308 2.851 10 30 EFEERL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c1C(=O)[O-] ZINC000362433150 476243709 /nfs/dbraw/zinc/24/37/09/476243709.db2.gz DDOIIEPGUSFKSN-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cnnn2Cc2ccccc2)c1 ZINC000792885731 1279241644 /nfs/dbraw/zinc/24/16/44/1279241644.db2.gz QWLDNBYWHZLYMB-VQHVLOKHSA-N -2 0 349.346 2.626 10 30 EFEERL Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000849245962 1335576456 /nfs/dbraw/zinc/57/64/56/1335576456.db2.gz DBZHPUACIGGQHR-SOFGYWHQSA-N -2 0 326.352 2.988 10 30 EFEERL CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)c(F)c2[O-])cc1C#N ZINC001468785960 1396984496 /nfs/dbraw/zinc/98/44/96/1396984496.db2.gz QXXCRCSUTMCKNY-UHFFFAOYSA-N -2 0 337.307 2.617 10 30 EFEERL N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001633077446 1100521677 /nfs/dbraw/zinc/52/16/77/1100521677.db2.gz UNGCFSXFDBXZHB-UHFFFAOYSA-N -2 0 333.687 2.783 10 30 EFEERL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000547933314 318053491 /nfs/dbraw/zinc/05/34/91/318053491.db2.gz SYSNAHJIPVPMQX-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL C=CCN(C[C@H](CC)c1cc(=O)oc2c(C=O)c([O-])ccc12)C(=O)[O-] ZINC000616220630 479854384 /nfs/dbraw/zinc/85/43/84/479854384.db2.gz CHZFOGBECRPTKD-NSHDSACASA-N -2 0 345.351 2.971 10 30 EFEERL COc1cc(/C=C2/Cc3c(ccc([O-])c3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000806575141 1281099979 /nfs/dbraw/zinc/09/99/79/1281099979.db2.gz QXEPGIUICZIWPW-WTKPLQERSA-N -2 0 345.282 2.976 10 30 EFEERL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N(O)Cc1ccccc1Cl ZINC000904189802 1107704281 /nfs/dbraw/zinc/70/42/81/1107704281.db2.gz AINWPQHVFRWNIU-UHFFFAOYSA-N -2 0 338.713 2.515 10 30 EFEERL O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000004215343 471461502 /nfs/dbraw/zinc/46/15/02/471461502.db2.gz HXSSCTOWBWPFEV-XCVCLJGOSA-N -2 0 326.304 2.744 10 30 in-man EFEERL O=[N+]([O-])c1cc(C=NNC(=S)Nc2ccccc2)c([O-])cc1[O-] ZINC000004628740 527325081 /nfs/dbraw/zinc/32/50/81/527325081.db2.gz HWJPGZWAVIJEMK-OVCLIPMQSA-N -2 0 332.341 2.738 10 30 EFEERL Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c([O-])cc2Cl)c(=O)o1 ZINC000759072809 575884058 /nfs/dbraw/zinc/88/40/58/575884058.db2.gz LGXHPHGYCASQOW-PYLYLYNFSA-N -2 0 341.146 2.927 10 30 EFEERL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000548206883 318084346 /nfs/dbraw/zinc/08/43/46/318084346.db2.gz DPLPAZDIGMHNTC-UHFFFAOYSA-N -2 0 348.355 2.813 10 30 EFEERL CSc1[n-]c(=O)c(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1C#N ZINC000358530540 475749590 /nfs/dbraw/zinc/74/95/90/475749590.db2.gz NWXMIOPJFQVCOF-UHFFFAOYSA-N -2 0 343.364 2.541 10 30 EFEERL CCCCCCCCCC[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-] ZINC000008219583 560207408 /nfs/dbraw/zinc/20/74/08/560207408.db2.gz DQIHPEKINXOMBM-WBMJQRKESA-N -3 0 332.393 2.508 10 30 in-vitro EFEERL N#Cc1ccc2ncc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])n2c1 ZINC000757471904 575840078 /nfs/dbraw/zinc/84/00/78/575840078.db2.gz GHQANJKOOGFXDM-HWKANZROSA-N -2 0 333.303 2.506 10 30 EFEERL COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1[N+](=O)[O-] ZINC000806558465 1281094715 /nfs/dbraw/zinc/09/47/15/1281094715.db2.gz DDYYKSDUJCSXEH-QHHAFSJGSA-N -2 0 343.291 2.903 10 30 EFEERL CCC(=O)c1ccc([O-])c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1 ZINC001468410226 1396955248 /nfs/dbraw/zinc/95/52/48/1396955248.db2.gz XSKYDCDKUCJLIO-UHFFFAOYSA-N -2 0 325.324 2.518 10 30 EFEERL N#Cc1ccc([O-])c(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC001633076976 1100521193 /nfs/dbraw/zinc/52/11/93/1100521193.db2.gz JWWWUZMBRDTJTA-UHFFFAOYSA-N -2 0 333.141 2.984 10 30 EFEERL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588316089 479415768 /nfs/dbraw/zinc/41/57/68/479415768.db2.gz LTFKWXJIWLYNHN-UHFFFAOYSA-N -2 0 340.744 2.612 10 30 EFEERL Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c([O-])cc2Cl)c(=O)o1 ZINC000134356402 714409876 /nfs/dbraw/zinc/40/98/76/714409876.db2.gz LGXHPHGYCASQOW-BAABZTOOSA-N -2 0 341.146 2.927 10 30 EFEERL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013011944 211512535 /nfs/dbraw/zinc/51/25/35/211512535.db2.gz MRBJPYWQGASDIZ-UHFFFAOYSA-N -2 0 336.756 2.711 10 30 EFEERL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000547910331 318052318 /nfs/dbraw/zinc/05/23/18/318052318.db2.gz DSAHFAYKOJULDA-UHFFFAOYSA-N -2 0 336.756 2.711 10 30 EFEERL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C#N)ccc1C(=O)[O-] ZINC000132563453 472742246 /nfs/dbraw/zinc/74/22/46/472742246.db2.gz ATXFPYKTHUGMCV-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL [O-]N=C1CCC(=N[O-])c2nn(-c3ccc(Cl)cc3Cl)nc21 ZINC000252628723 474702013 /nfs/dbraw/zinc/70/20/13/474702013.db2.gz SWHTVRNGLVFMQL-UHFFFAOYSA-N -2 0 326.143 2.725 10 30 EFEERL C=C1C[C@]23C[C@H]1CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-] ZINC000004102237 560196671 /nfs/dbraw/zinc/19/66/71/560196671.db2.gz JBJGOHHQQSPYTO-BLMVKCSQSA-N -2 0 330.380 2.670 10 30 in-vitro EFEERL C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-] ZINC000004102243 560196687 /nfs/dbraw/zinc/19/66/87/560196687.db2.gz TZGXVFYTKTWKCU-CXXOJBQZSA-N -2 0 348.439 2.933 10 30 in-vitro EFEERL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c1 ZINC000757472829 575840006 /nfs/dbraw/zinc/84/00/06/575840006.db2.gz KYCYAROQXBMFOA-CLTKARDFSA-N -2 0 335.319 2.567 10 30 EFEERL CCCc1nc(SCc2ccc(C(=O)[O-])cc2)[n-]c(=O)c1C#N ZINC000020335849 202039528 /nfs/dbraw/zinc/03/95/28/202039528.db2.gz QSLWEEGOYUJKHG-UHFFFAOYSA-N -2 0 329.381 2.585 10 30 EFEERL C=CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000274403612 201267609 /nfs/dbraw/zinc/26/76/09/201267609.db2.gz GKUNBEXLAZBTTC-UHFFFAOYSA-N -2 0 339.291 2.601 10 30 EFEERL N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3[O-])n2c1 ZINC000806558913 1281095889 /nfs/dbraw/zinc/09/58/89/1281095889.db2.gz PFDRHEOCPSFMNR-HYXAFXHYSA-N -2 0 333.303 2.506 10 30 EFEERL Cn1ncc(C2CCC2)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000849245964 1335576611 /nfs/dbraw/zinc/57/66/11/1335576611.db2.gz DBZHPUACIGGQHR-VURMDHGXSA-N -2 0 326.352 2.988 10 30 EFEERL N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000541000116 317765213 /nfs/dbraw/zinc/76/52/13/317765213.db2.gz FTHOVGGOYAXJKL-UHFFFAOYSA-N -2 0 344.392 2.766 10 30 EFEERL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])c1 ZINC000131883335 472699243 /nfs/dbraw/zinc/69/92/43/472699243.db2.gz NQOUVBZUSXVLJJ-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL N#Cc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1[O-] ZINC000442647548 476699652 /nfs/dbraw/zinc/69/96/52/476699652.db2.gz IRJIYZQWLNDAFX-UHFFFAOYSA-N -2 0 328.378 2.518 10 30 EFEERL N#Cc1ccc2ncc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3[O-])n2c1 ZINC000757471906 575840003 /nfs/dbraw/zinc/84/00/03/575840003.db2.gz GHQANJKOOGFXDM-HYXAFXHYSA-N -2 0 333.303 2.506 10 30 EFEERL COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1[N+](=O)[O-] ZINC000806558464 1281095399 /nfs/dbraw/zinc/09/53/99/1281095399.db2.gz DDYYKSDUJCSXEH-KXFIGUGUSA-N -2 0 343.291 2.903 10 30 EFEERL Cn1nc2c(c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1[O-])CCCC2 ZINC000865225124 1303194814 /nfs/dbraw/zinc/19/48/14/1303194814.db2.gz YGEDRKJPALMNFD-HJWRWDBZSA-N -2 0 326.352 2.599 10 30 EFEERL Cn1ncc(C2CCC2)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-] ZINC000849248257 1335577827 /nfs/dbraw/zinc/57/78/27/1335577827.db2.gz OBBNYYIHHQNPLJ-BQYQJAHWSA-N -2 0 326.352 2.988 10 30 EFEERL Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])cc1C ZINC000527028143 268011987 /nfs/dbraw/zinc/01/19/87/268011987.db2.gz NDBFZBZDXMMMSQ-UHFFFAOYSA-N -2 0 348.355 2.813 10 30 EFEERL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000547883332 318051058 /nfs/dbraw/zinc/05/10/58/318051058.db2.gz VPNQXPFDOCZKJF-UHFFFAOYSA-N -2 0 334.328 2.505 10 30 EFEERL CSc1[n-]c(=O)c(C(=O)Nc2cccc(Cl)c2[O-])cc1C#N ZINC000077012041 472446611 /nfs/dbraw/zinc/44/66/11/472446611.db2.gz HEZFJGMSSRDLOI-UHFFFAOYSA-N -2 0 335.772 2.992 10 30 EFEERL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])c1 ZINC000132477972 472736103 /nfs/dbraw/zinc/73/61/03/472736103.db2.gz VRNLGRTXBPDEHO-UHFFFAOYSA-N -2 0 348.355 2.813 10 30 EFEERL C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1 ZINC000349107492 475904391 /nfs/dbraw/zinc/90/43/91/475904391.db2.gz JYVPYAWBFYBABI-TWGQIWQCSA-N -2 0 326.352 2.853 10 30 EFEERL C=CCN(C[C@@H](CC)c1cc(=O)oc2c(C=O)c([O-])ccc12)C(=O)[O-] ZINC000616220623 479854664 /nfs/dbraw/zinc/85/46/64/479854664.db2.gz CHZFOGBECRPTKD-LLVKDONJSA-N -2 0 345.351 2.971 10 30 EFEERL COc1cc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000806575140 1281100192 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