smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(CNc2ccc(C(=O)[O-])cc2)c1O ZINC000076274126 191607904 /nfs/dbraw/zinc/60/79/04/191607904.db2.gz QEFMDWZIGFVWGN-UHFFFAOYSA-N -1 0 307.733 3.365 10 10 DGCERM C[C@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000053044890 431960875 /nfs/dbraw/zinc/96/08/75/431960875.db2.gz BQLLNHMCIPEENK-JTQLQIEISA-N -1 0 303.745 3.456 10 10 DGCERM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@](C)(C(F)F)O1 ZINC000705038017 660829468 /nfs/dbraw/zinc/82/94/68/660829468.db2.gz MPQASBHZPVAADL-YMTOWFKASA-N -1 0 305.752 3.290 10 10 DGCERM CCOc1cc(F)ccc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000089792775 1198046969 /nfs/dbraw/zinc/04/69/69/1198046969.db2.gz ATYFQVXHXAHWRA-UHFFFAOYSA-N -1 0 306.293 3.450 10 10 DGCERM CC(C)(C(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000135840038 400589132 /nfs/dbraw/zinc/58/91/32/400589132.db2.gz VUGACVQKQBRFRJ-UHFFFAOYSA-N -1 0 301.298 3.167 10 10 DGCERM O=C(c1cccc(O)c1O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000187030847 432643688 /nfs/dbraw/zinc/64/36/88/432643688.db2.gz NOELQGNONDKLMT-CQSZACIVSA-N -1 0 315.344 3.084 10 10 DGCERM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@](C)(C(F)F)O1 ZINC000705038008 660829562 /nfs/dbraw/zinc/82/95/62/660829562.db2.gz MPQASBHZPVAADL-OTYXRUKQSA-N -1 0 305.752 3.290 10 10 DGCERM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000016904487 182063828 /nfs/dbraw/zinc/06/38/28/182063828.db2.gz GDAXGXHCMXFGGY-AWPPVZKDSA-N -1 0 321.423 3.141 10 10 DGCERM C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109771818 431179994 /nfs/dbraw/zinc/17/99/94/431179994.db2.gz VQEJIDZPNTYGKJ-GJZGRUSLSA-N -1 0 312.413 3.090 10 10 DGCERM Cc1ccc(-c2noc(COC(=O)C3=CC(=O)CS3)n2)cc1 ZINC000731912659 574562184 /nfs/dbraw/zinc/56/21/84/574562184.db2.gz XDGQMXBDZSZVNU-UHFFFAOYSA-N -1 0 316.338 3.169 10 10 DGCERM [O-]c1c(F)cc(Br)cc1CNC1(C(F)F)CC1 ZINC000715814262 661215142 /nfs/dbraw/zinc/21/51/42/661215142.db2.gz QSOYNRHXRZRFAJ-UHFFFAOYSA-N -1 0 310.113 3.181 10 10 DGCERM O=C([O-])[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086787760 662220102 /nfs/dbraw/zinc/22/01/02/662220102.db2.gz PCCWEBFQFMPIDT-LDYMZIIASA-N -1 0 318.200 3.432 10 10 DGCERM CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000015777308 182016012 /nfs/dbraw/zinc/01/60/12/182016012.db2.gz WTJVGFIPUJBCKI-GDNBJRDFSA-N -1 0 323.308 3.107 10 10 DGCERM O=C(CCCc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000027751564 400279020 /nfs/dbraw/zinc/27/90/20/400279020.db2.gz REPSXRLQYFDFRU-UHFFFAOYSA-N -1 0 301.298 3.212 10 10 DGCERM O=C(c1cccc(O)c1O)N1CC=C(c2cccs2)CC1 ZINC000185682663 228395598 /nfs/dbraw/zinc/39/55/98/228395598.db2.gz IOPVFJBDCMQSTL-UHFFFAOYSA-N -1 0 301.367 3.089 10 10 DGCERM C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657515 432396624 /nfs/dbraw/zinc/39/66/24/432396624.db2.gz MWBAENWTGMXZGD-MRVPVSSYSA-N -1 0 300.189 3.283 10 10 DGCERM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1 ZINC000033246730 518190472 /nfs/dbraw/zinc/19/04/72/518190472.db2.gz FIHYEPLLKDUHDI-GDNBJRDFSA-N -1 0 322.320 3.207 10 10 DGCERM C[C@H]([NH2+]Cc1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657501 432396820 /nfs/dbraw/zinc/39/68/20/432396820.db2.gz MWBAENWTGMXZGD-QMMMGPOBSA-N -1 0 300.189 3.283 10 10 DGCERM O=C([O-])[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086787756 655644903 /nfs/dbraw/zinc/64/49/03/655644903.db2.gz PCCWEBFQFMPIDT-GZMMTYOYSA-N -1 0 318.200 3.432 10 10 DGCERM O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccccc3)S2)c1 ZINC000016904426 182063676 /nfs/dbraw/zinc/06/36/76/182063676.db2.gz ZZHGAQZFYCTUNM-ZROIWOOFSA-N -1 0 324.361 3.467 10 10 DGCERM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100210647 431981227 /nfs/dbraw/zinc/98/12/27/431981227.db2.gz BYBIBYBLMSEYRI-BQASMSSTSA-N -1 0 323.312 3.470 10 10 DGCERM Cc1cccc(N2[N-]C(=O)/C(=C\c3ccc(Cl)cc3)C2=O)c1 ZINC000000472946 281231255 /nfs/dbraw/zinc/23/12/55/281231255.db2.gz AVLPCGVZDHUZLE-XNTDXEJSSA-N -1 0 312.756 3.110 10 10 DGCERM CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)[O-] ZINC000262430773 337617710 /nfs/dbraw/zinc/61/77/10/337617710.db2.gz OGPZLVFDJVEONJ-GOSISDBHSA-N -1 0 314.385 3.077 10 10 DGCERM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000016904651 182063508 /nfs/dbraw/zinc/06/35/08/182063508.db2.gz MLQBCWNRZYEKOJ-LCFDYFRESA-N -1 0 321.423 3.059 10 10 DGCERM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000016904653 182063872 /nfs/dbraw/zinc/06/38/72/182063872.db2.gz MLQBCWNRZYEKOJ-HQQGHWSLSA-N -1 0 321.423 3.059 10 10 DGCERM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCO1 ZINC000020335019 182208996 /nfs/dbraw/zinc/20/89/96/182208996.db2.gz HOPKAYFUTSCGOH-GFCCVEGCSA-N -1 0 317.366 3.231 10 10 DGCERM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)c(C)n1-c1ccccc1 ZINC000178073151 228337056 /nfs/dbraw/zinc/33/70/56/228337056.db2.gz AQOOTCLTVGPYCB-UHFFFAOYSA-N -1 0 314.385 3.029 10 10 DGCERM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100210657 281701961 /nfs/dbraw/zinc/70/19/61/281701961.db2.gz BYBIBYBLMSEYRI-DVEDPGPFSA-N -1 0 323.312 3.470 10 10 DGCERM Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126139781 623696310 /nfs/dbraw/zinc/69/63/10/623696310.db2.gz DUSWVXDBBUDNOQ-UHFFFAOYSA-N -1 0 315.753 3.294 10 10 DGCERM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@](C)(C(F)F)O1 ZINC000705038012 660829491 /nfs/dbraw/zinc/82/94/91/660829491.db2.gz MPQASBHZPVAADL-XPTSAGLGSA-N -1 0 305.752 3.290 10 10 DGCERM C[C@@]1(C(F)(F)F)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000712804157 661189772 /nfs/dbraw/zinc/18/97/72/661189772.db2.gz WKYUIAOEHQRHPV-LBPRGKRZSA-N -1 0 309.715 3.199 10 10 DGCERM O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccco3)S2)c1 ZINC000016904446 182063856 /nfs/dbraw/zinc/06/38/56/182063856.db2.gz MLOXKYZJEWSPMU-WQLSENKSSA-N -1 0 314.322 3.060 10 10 DGCERM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCO1 ZINC000020335016 182209310 /nfs/dbraw/zinc/20/93/10/182209310.db2.gz HOPKAYFUTSCGOH-LBPRGKRZSA-N -1 0 317.366 3.231 10 10 DGCERM C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1O ZINC000109771813 431179094 /nfs/dbraw/zinc/17/90/94/431179094.db2.gz VQEJIDZPNTYGKJ-LSDHHAIUSA-N -1 0 312.413 3.090 10 10 DGCERM C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109771822 431179130 /nfs/dbraw/zinc/17/91/30/431179130.db2.gz VQEJIDZPNTYGKJ-CABCVRRESA-N -1 0 312.413 3.090 10 10 DGCERM O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086729853 662219361 /nfs/dbraw/zinc/21/93/61/662219361.db2.gz ABRVQHIPVOTENS-NSHDSACASA-N -1 0 304.173 3.138 10 10 DGCERM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccns2)c1O ZINC000404492149 1094259810 /nfs/dbraw/zinc/25/98/10/1094259810.db2.gz VJPGTODWRYGOQF-UHFFFAOYSA-N -1 0 310.806 3.337 10 10 DGCERM CCOc1ccc2ncc3c([O-])c(C(=O)OC)sc3c2c1 ZINC000072237228 191080653 /nfs/dbraw/zinc/08/06/53/191080653.db2.gz CPNOBBHLUJZTHP-UHFFFAOYSA-N -1 0 303.339 3.340 10 10 DGCERM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000096703633 657552993 /nfs/dbraw/zinc/55/29/93/657552993.db2.gz CUAWQLQVFPGAHC-GDNBJRDFSA-N -1 0 322.320 3.207 10 10 DGCERM COc1ccccc1-c1ccc2c(N)c(C(=O)[O-])sc2n1 ZINC000095081191 193418221 /nfs/dbraw/zinc/41/82/21/193418221.db2.gz DTNJWWZYUVLJPB-UHFFFAOYSA-N -1 0 300.339 3.252 10 10 DGCERM O=[N+]([O-])c1ccc([O-])c(O)c1Sc1nc2ccccc2o1 ZINC000584629644 337376530 /nfs/dbraw/zinc/37/65/30/337376530.db2.gz MPRRTZWDMMUTBU-UHFFFAOYSA-N -1 0 304.283 3.298 10 10 DGCERM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@](C)(C(F)F)O1 ZINC000705038001 660829683 /nfs/dbraw/zinc/82/96/83/660829683.db2.gz MPQASBHZPVAADL-LKFCYVNXSA-N -1 0 305.752 3.290 10 10 DGCERM CN(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000059432308 184138538 /nfs/dbraw/zinc/13/85/38/184138538.db2.gz HLYBIFPPQZVXQI-FMIVXFBMSA-N -1 0 310.353 3.103 10 10 DGCERM CC(C)c1nc2c(n1C)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000180157116 278075287 /nfs/dbraw/zinc/07/52/87/278075287.db2.gz QPMBFRXXMNRCES-UHFFFAOYSA-N -1 0 319.836 3.461 10 10 DGCERM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)s1 ZINC000085204647 655636485 /nfs/dbraw/zinc/63/64/85/655636485.db2.gz HHJPLQDLSKJHSU-UHFFFAOYSA-N -1 0 317.819 3.470 10 10 DGCERM O=C([O-])CC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000198564801 400934279 /nfs/dbraw/zinc/93/42/79/400934279.db2.gz CQUOXVLDVUJVRQ-UHFFFAOYSA-N -1 0 303.280 3.276 10 10 DGCERM O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000187030827 432643226 /nfs/dbraw/zinc/64/32/26/432643226.db2.gz NOELQGNONDKLMT-AWEZNQCLSA-N -1 0 315.344 3.084 10 10 DGCERM CC(C)c1nnc2n1CCN(Cc1cccc(Cl)c1[O-])[C@H]2C ZINC000188461029 432727816 /nfs/dbraw/zinc/72/78/16/432727816.db2.gz RRIASNOBOHXSII-NSHDSACASA-N -1 0 320.824 3.337 10 10 DGCERM COc1cc(NCc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000311656376 659480264 /nfs/dbraw/zinc/48/02/64/659480264.db2.gz VOMBQVYPKNOWKF-UHFFFAOYSA-N -1 0 302.161 3.053 10 10 DGCERM CCN(CCC(=O)[O-])C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000236826187 202028708 /nfs/dbraw/zinc/02/87/08/202028708.db2.gz DVCANOHVZSHAKO-UHFFFAOYSA-N -1 0 314.385 3.031 10 10 DGCERM [O-]c1c(Cl)cc(Cl)cc1CN1CCO[C@@H](CCF)C1 ZINC000700594846 660630097 /nfs/dbraw/zinc/63/00/97/660630097.db2.gz PNZCVAOVAABGTE-NSHDSACASA-N -1 0 308.180 3.259 10 10 DGCERM O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1cccs1 ZINC000057690190 659024735 /nfs/dbraw/zinc/02/47/35/659024735.db2.gz WLKDXVFLETZFFA-UHFFFAOYSA-N -1 0 323.424 3.067 10 10 DGCERM Cc1csc([C@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)n1 ZINC000179975233 526445199 /nfs/dbraw/zinc/44/51/99/526445199.db2.gz GHDGZPOHJKFFTM-CYBMUJFWSA-N -1 0 324.833 3.384 10 10 DGCERM O=C([O-])[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086787757 662219529 /nfs/dbraw/zinc/21/95/29/662219529.db2.gz PCCWEBFQFMPIDT-KWQFWETISA-N -1 0 318.200 3.432 10 10 DGCERM Cn1cc(NCc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000708190659 1082649813 /nfs/dbraw/zinc/64/98/13/1082649813.db2.gz MIHDMAFOKGJZGW-UHFFFAOYSA-N -1 0 316.586 3.154 10 10 DGCERM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000016904489 182063878 /nfs/dbraw/zinc/06/38/78/182063878.db2.gz GDAXGXHCMXFGGY-ZGSOTFDTSA-N -1 0 321.423 3.141 10 10 DGCERM [O-]c1c(Br)cccc1CN[C@@H]1CCCC1(F)F ZINC000397931396 685232872 /nfs/dbraw/zinc/23/28/72/685232872.db2.gz BULULHQRMDGFMB-SNVBAGLBSA-N -1 0 306.150 3.432 10 10 DGCERM O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000089446626 662243542 /nfs/dbraw/zinc/24/35/42/662243542.db2.gz HRIKPOWFQDRLBY-LDYMZIIASA-N -1 0 318.200 3.290 10 10 DGCERM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1O ZINC000126300781 623769598 /nfs/dbraw/zinc/76/95/98/623769598.db2.gz JCEXSBXBPQIAPI-UHFFFAOYSA-N -1 0 315.753 3.294 10 10 DGCERM CCCN(Cc1ccccc1O)C(=O)c1c([O-])cc(F)cc1F ZINC000170732460 659233243 /nfs/dbraw/zinc/23/32/43/659233243.db2.gz YXNYFLHKLWYHRX-UHFFFAOYSA-N -1 0 321.323 3.428 10 10 DGCERM [O-]c1c(Br)cccc1CN[C@H]1CCCC1(F)F ZINC000397931395 685232712 /nfs/dbraw/zinc/23/27/12/685232712.db2.gz BULULHQRMDGFMB-JTQLQIEISA-N -1 0 306.150 3.432 10 10 DGCERM O=C1C=C([N+](=O)[O-])C=CC1=NNc1cc([N+](=O)[O-])ccc1[O-] ZINC000504044766 340140139 /nfs/dbraw/zinc/14/01/39/340140139.db2.gz RCSNUHYXQJOEJS-BUHFOSPRSA-N -1 0 304.218 3.330 10 10 DGCERM [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000180008074 526326984 /nfs/dbraw/zinc/32/69/84/526326984.db2.gz BWCWCJRZFVQLMZ-GFCCVEGCSA-N -1 0 310.806 3.076 10 10 DGCERM Cc1ccc(-n2cccn2)cc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000188937149 661954611 /nfs/dbraw/zinc/95/46/11/661954611.db2.gz PTKRLQUJLAKOAK-UHFFFAOYSA-N -1 0 324.340 3.407 10 10 DGCERM O=C([O-])c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O ZINC000003828929 181047757 /nfs/dbraw/zinc/04/77/57/181047757.db2.gz XQDVWYSATRRSMJ-ORCRQEGFSA-N -1 0 323.304 3.220 10 10 DGCERM CC(C)c1nnc2n1CCN(Cc1cccc(Cl)c1[O-])[C@@H]2C ZINC000188461002 432727394 /nfs/dbraw/zinc/72/73/94/432727394.db2.gz RRIASNOBOHXSII-LLVKDONJSA-N -1 0 320.824 3.337 10 10 DGCERM Cc1csc([C@@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)n1 ZINC000179975220 526424132 /nfs/dbraw/zinc/42/41/32/526424132.db2.gz GHDGZPOHJKFFTM-ZDUSSCGKSA-N -1 0 324.833 3.384 10 10 DGCERM CCOc1ccc2c3sc(C(=O)OC)c([O-])c3cnc2c1 ZINC000072237174 191080436 /nfs/dbraw/zinc/08/04/36/191080436.db2.gz OCXXUWKZBBPICD-UHFFFAOYSA-N -1 0 303.339 3.340 10 10 DGCERM COC(=O)[C@@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000154657157 620699585 /nfs/dbraw/zinc/69/95/85/620699585.db2.gz VVYDQEPWUKEPCP-AWEZNQCLSA-N -1 0 305.761 3.050 10 10 DGCERM COC(=O)[C@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000154657033 620699706 /nfs/dbraw/zinc/69/97/06/620699706.db2.gz VVYDQEPWUKEPCP-CQSZACIVSA-N -1 0 305.761 3.050 10 10 DGCERM CCOc1cccc2c3sc(C(=O)OC)c([O-])c3cnc12 ZINC000072237118 191080163 /nfs/dbraw/zinc/08/01/63/191080163.db2.gz UQEUORKKCZZTGE-UHFFFAOYSA-N -1 0 303.339 3.340 10 10 DGCERM Cc1cc(CC(=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000003630633 181042917 /nfs/dbraw/zinc/04/29/17/181042917.db2.gz RKZFEYDWVDEQTM-UHFFFAOYSA-N -1 0 308.175 3.484 10 10 DGCERM CCc1nnc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000289979043 432980712 /nfs/dbraw/zinc/98/07/12/432980712.db2.gz ZOPWKBYXBAKUDM-UHFFFAOYSA-N -1 0 318.229 3.403 10 10 DGCERM O=C([O-])CN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000692416272 976458213 /nfs/dbraw/zinc/45/82/13/976458213.db2.gz UQYAOOZMJFRRGE-UHFFFAOYSA-N -1 0 305.761 3.132 10 10 DGCERM CC[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)[O-] ZINC000262430775 337617690 /nfs/dbraw/zinc/61/76/90/337617690.db2.gz OGPZLVFDJVEONJ-SFHVURJKSA-N -1 0 314.385 3.077 10 10 DGCERM [O-]c1c(Cl)cccc1CN1CCO[C@H](c2nccs2)C1 ZINC000180008057 526327592 /nfs/dbraw/zinc/32/75/92/526327592.db2.gz BWCWCJRZFVQLMZ-LBPRGKRZSA-N -1 0 310.806 3.076 10 10 DGCERM C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109771816 431179836 /nfs/dbraw/zinc/17/98/36/431179836.db2.gz VQEJIDZPNTYGKJ-HUUCEWRRSA-N -1 0 312.413 3.090 10 10 DGCERM O=C(Cc1ccc(Cl)cc1)c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000027755722 431694697 /nfs/dbraw/zinc/69/46/97/431694697.db2.gz ZFRHGPDWSJHMIM-UHFFFAOYSA-N -1 0 307.689 3.085 10 10 DGCERM [O-]c1c(Cl)cc(Cl)cc1CN1CCO[C@H](CCF)C1 ZINC000700594845 660630122 /nfs/dbraw/zinc/63/01/22/660630122.db2.gz PNZCVAOVAABGTE-LLVKDONJSA-N -1 0 308.180 3.259 10 10 DGCERM C[C@]1(C(F)(F)F)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000712804156 661189945 /nfs/dbraw/zinc/18/99/45/661189945.db2.gz WKYUIAOEHQRHPV-GFCCVEGCSA-N -1 0 309.715 3.199 10 10 DGCERM