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)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001454823437 1107721615 /nfs/dbraw/zinc/72/16/15/1107721615.db2.gz VOBUUUPRNKPHCQ-XYPYZODXSA-N -1 0 336.388 2.131 10 10 EECERM O=S(=O)(NC1CCCC1)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000368093048 466578745 /nfs/dbraw/zinc/57/87/45/466578745.db2.gz MHSLULKFBLDSLL-UHFFFAOYSA-N -1 0 344.864 2.092 10 10 EECERM Cn1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)n1 ZINC000727243937 576415171 /nfs/dbraw/zinc/41/51/71/576415171.db2.gz LIDZYMZESJMMTI-UHFFFAOYSA-N -1 0 346.437 2.443 10 10 EECERM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)cn1 ZINC000194787306 684967407 /nfs/dbraw/zinc/96/74/07/684967407.db2.gz QVXJNICCKMERLW-UHFFFAOYSA-N -1 0 348.409 2.410 10 10 EECERM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1c(F)ccc(O)c1[O-] ZINC001161028295 1320360141 /nfs/dbraw/zinc/36/01/41/1320360141.db2.gz XYVDEJLGKBQWFP-SNVBAGLBSA-N -1 0 330.315 2.093 10 10 EECERM COC(=O)COc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC001306435934 1331470826 /nfs/dbraw/zinc/47/08/26/1331470826.db2.gz QNXFOPJJVLUSLD-UHFFFAOYSA-N -1 0 335.287 2.041 10 10 EECERM COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C2)cc1 ZINC000849183848 1339149062 /nfs/dbraw/zinc/14/90/62/1339149062.db2.gz WLKZIVORDYYOKR-XKQJLSEDSA-N -1 0 344.411 2.057 10 10 EECERM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]2COC[C@H]2O1 ZINC000846118094 790056237 /nfs/dbraw/zinc/05/62/37/790056237.db2.gz LEVWQCHBUPHPSM-CHWSQXEVSA-N -1 0 342.779 2.332 10 10 EECERM COC(=O)[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000787438023 807119433 /nfs/dbraw/zinc/11/94/33/807119433.db2.gz GFQXFCKEKFZHNF-GFCCVEGCSA-N -1 0 344.198 2.436 10 10 EECERM O=C(C1CCCC1)N1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000069813597 203052415 /nfs/dbraw/zinc/05/24/15/203052415.db2.gz JMBGGTKQORCCRF-UHFFFAOYSA-N -1 0 333.388 2.135 10 10 EECERM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](CO)C(=O)[O-])C1=O ZINC000005374272 277928718 /nfs/dbraw/zinc/92/87/18/277928718.db2.gz QWGNTIIDMHCNCU-LUNTWIETSA-N -1 0 349.433 2.280 10 10 EECERM O=C([O-])c1cc(NS(=O)(=O)Cc2noc3ccccc32)ccc1O ZINC000776434645 577459828 /nfs/dbraw/zinc/45/98/28/577459828.db2.gz HXKJTWFBXHSSCR-UHFFFAOYSA-N -1 0 348.336 2.174 10 10 EECERM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(F)c(F)c1[O-] ZINC000895864017 684746249 /nfs/dbraw/zinc/74/62/49/684746249.db2.gz MUZKIABUSPTNEA-WCQYABFASA-N -1 0 329.343 2.261 10 10 EECERM CN1CCCc2cc(CNC(=O)NC[C@@H](C(=O)[O-])C3CCC3)ccc21 ZINC000854234980 1292682523 /nfs/dbraw/zinc/68/25/23/1292682523.db2.gz KFIJXKUKIVZNIR-MRXNPFEDSA-N -1 0 345.443 2.369 10 10 EECERM O=C([O-])c1cc(NS(=O)(=O)CCOCC2CCCC2)ccc1O ZINC000841499390 1315565895 /nfs/dbraw/zinc/56/58/95/1315565895.db2.gz VWVLWNPWHYYYIY-UHFFFAOYSA-N -1 0 343.401 2.039 10 10 EECERM Cc1c(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)ccn1C ZINC000911360876 787403096 /nfs/dbraw/zinc/40/30/96/787403096.db2.gz ZWDRAVUUPVRYSG-UHFFFAOYSA-N -1 0 336.775 2.420 10 10 EECERM CCO[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)C1CCCC1 ZINC000911492633 787488116 /nfs/dbraw/zinc/48/81/16/787488116.db2.gz IWDRTCZAPPYEOM-QGZVFWFLSA-N -1 0 335.400 2.401 10 10 EECERM COc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2O)cc1OC ZINC000280703594 464236179 /nfs/dbraw/zinc/23/61/79/464236179.db2.gz SGVYXMSQINQONI-LLVKDONJSA-N -1 0 331.368 2.476 10 10 EECERM COCCc1noc(CN(C)Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000295497630 464859475 /nfs/dbraw/zinc/85/94/75/464859475.db2.gz YDZQYHQUUXIXIL-UHFFFAOYSA-N -1 0 329.759 2.389 10 10 EECERM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cccc2nonc21 ZINC000765079584 577494345 /nfs/dbraw/zinc/49/43/45/577494345.db2.gz PCXFNXOCRMFYDS-UHFFFAOYSA-N -1 0 331.353 2.349 10 10 EECERM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000753023051 577780298 /nfs/dbraw/zinc/78/02/98/577780298.db2.gz ZTFSQRUWDZGOTC-UHFFFAOYSA-N -1 0 343.307 2.258 10 10 EECERM O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1F ZINC000756390281 577843162 /nfs/dbraw/zinc/84/31/62/577843162.db2.gz VETMXXDWTLPKLB-AWEZNQCLSA-N -1 0 338.266 2.494 10 10 EECERM C[C@@H](NC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000929042925 1206442000 /nfs/dbraw/zinc/44/20/00/1206442000.db2.gz GMNOGOXMVIFNEK-BZNIZROVSA-N -1 0 325.384 2.316 10 10 EECERM O=C(NCc1cccc(Cl)c1O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001606868879 1351368674 /nfs/dbraw/zinc/36/86/74/1351368674.db2.gz SDQITEVGYQMUEH-UHFFFAOYSA-N -1 0 345.742 2.319 10 10 EECERM CCN(CC)c1ccc(CN(C)C(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC001623452145 1352397558 /nfs/dbraw/zinc/39/75/58/1352397558.db2.gz SIVHFHHXVRAIRG-UHFFFAOYSA-N -1 0 349.460 2.107 10 10 EECERM O=S1(=O)CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCC[C@H]21 ZINC000825203203 788497261 /nfs/dbraw/zinc/49/72/61/788497261.db2.gz YMSDPZXQWCPGOB-DGCLKSJQSA-N -1 0 333.812 2.336 10 10 EECERM CNC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000808090161 812453759 /nfs/dbraw/zinc/45/37/59/812453759.db2.gz RJCLOVZNDIHADO-UHFFFAOYSA-N -1 0 327.171 2.461 10 10 EECERM CN(C)c1ccc(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1F ZINC001542430089 1124113269 /nfs/dbraw/zinc/11/32/69/1124113269.db2.gz FPWWNAIYPMCMIM-UHFFFAOYSA-N -1 0 330.319 2.064 10 10 EECERM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc[nH]2)SC1=S ZINC000027231067 202152612 /nfs/dbraw/zinc/15/26/12/202152612.db2.gz PUGKHTARRSXMCQ-YIXGCBLDSA-N -1 0 342.467 2.422 10 10 EECERM Cc1nnc([C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCO2)[nH]1 ZINC000191425531 237257862 /nfs/dbraw/zinc/25/78/62/237257862.db2.gz RDMNICIWBDMWIW-LBPRGKRZSA-N -1 0 326.759 2.185 10 10 EECERM CCc1nc(NCc2ccc(N(C)C)cc2)nc(OCC(=O)[O-])c1C ZINC000073706315 522407445 /nfs/dbraw/zinc/40/74/45/522407445.db2.gz MVLAGQFMWAEHGW-UHFFFAOYSA-N -1 0 344.415 2.489 10 10 EECERM O=C([O-])c1cc(O)ccc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000776434888 577459816 /nfs/dbraw/zinc/45/98/16/577459816.db2.gz PKLMZGZOVJYGFM-UHFFFAOYSA-N -1 0 325.317 2.171 10 10 EECERM Cn1cc(Br)c(CNCc2ccc(F)c(F)c2[O-])n1 ZINC000703287461 1196421315 /nfs/dbraw/zinc/42/13/15/1196421315.db2.gz VZLFWEIQSYJKNK-UHFFFAOYSA-N -1 0 332.148 2.456 10 10 EECERM COc1ccc(N2CC[C@H](NC(=O)CC3(CC(=O)[O-])CCC3)C2)cc1 ZINC000849182364 1339149095 /nfs/dbraw/zinc/14/90/95/1339149095.db2.gz DWNWQUZYCKTIAC-AWEZNQCLSA-N -1 0 346.427 2.425 10 10 EECERM COc1ccc(N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC001654957780 1354161853 /nfs/dbraw/zinc/16/18/53/1354161853.db2.gz OUYFHRHLFJTFBZ-UHFFFAOYSA-N -1 0 331.397 2.154 10 10 EECERM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C1CCC(=O)CC1 ZINC000911360234 787402931 /nfs/dbraw/zinc/40/29/31/787402931.db2.gz PLEKCHLLQCLOSF-UHFFFAOYSA-N -1 0 339.775 2.218 10 10 EECERM NC(=O)N1CCCc2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc21 ZINC001183333012 801573085 /nfs/dbraw/zinc/57/30/85/801573085.db2.gz GHTDNPRFPCUMQD-UHFFFAOYSA-N -1 0 345.330 2.321 10 10 EECERM O=C([O-])C12CC(C1)CN2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000908847140 785787602 /nfs/dbraw/zinc/78/76/02/785787602.db2.gz JRQGFDQGNWMDJE-UHFFFAOYSA-N -1 0 329.400 2.045 10 10 EECERM Cn1nccc1[C@H]1COCCN1Cc1c([O-])ccc(Cl)c1F ZINC000846116884 790055031 /nfs/dbraw/zinc/05/50/31/790055031.db2.gz XQLLEFOETMEWRG-CYBMUJFWSA-N -1 0 325.771 2.492 10 10 EECERM Cc1c([N-]S(=O)(=O)c2cccc3nonc32)cccc1N(C)C ZINC000776090847 577451956 /nfs/dbraw/zinc/45/19/56/577451956.db2.gz FLUHYGIBHXWFIH-UHFFFAOYSA-N -1 0 332.385 2.398 10 10 EECERM Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000854236671 1292684505 /nfs/dbraw/zinc/68/45/05/1292684505.db2.gz ZMCGNGAOQCQBBK-MRXNPFEDSA-N -1 0 333.432 2.361 10 10 EECERM CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000854474738 1292798106 /nfs/dbraw/zinc/79/81/06/1292798106.db2.gz NCTNEWMZNXOHED-OQPBUACISA-N -1 0 334.199 2.367 10 10 EECERM O=C([O-])CN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000923108736 788839057 /nfs/dbraw/zinc/83/90/57/788839057.db2.gz IALFTFKWWRIBBR-GOEBONIOSA-N -1 0 333.384 2.153 10 10 EECERM Cn1nccc1[C@@H]1COCCN1Cc1c([O-])ccc(Cl)c1F ZINC000846116885 790055284 /nfs/dbraw/zinc/05/52/84/790055284.db2.gz XQLLEFOETMEWRG-ZDUSSCGKSA-N -1 0 325.771 2.492 10 10 EECERM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1c(O)cccc1O ZINC001456232944 1109117645 /nfs/dbraw/zinc/11/76/45/1109117645.db2.gz CNEMSAZLIUEFGQ-UHFFFAOYSA-N -1 0 331.372 2.129 10 10 EECERM O=[N+]([O-])c1cc(Cl)cc(CN2CCSC[C@@H]2CCO)c1[O-] ZINC000770308027 577593726 /nfs/dbraw/zinc/59/37/26/577593726.db2.gz XJVIERVSIFWMDR-NSHDSACASA-N -1 0 332.809 2.254 10 10 EECERM COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753014331 577780072 /nfs/dbraw/zinc/78/00/72/577780072.db2.gz FWIWHWWUTPCLCP-UHFFFAOYSA-N -1 0 341.335 2.430 10 10 EECERM O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1[O-] ZINC000753017722 577780196 /nfs/dbraw/zinc/78/01/96/577780196.db2.gz NIPGFTBXZLDRQD-UHFFFAOYSA-N -1 0 343.307 2.242 10 10 EECERM COc1ccccc1[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC000756359723 577842701 /nfs/dbraw/zinc/84/27/01/577842701.db2.gz FAOIMSWFRKMMIU-HNNXBMFYSA-N -1 0 332.312 2.225 10 10 EECERM COC(=O)[C@H](Cc1cncs1)NCc1cc(F)cc(F)c1[O-] ZINC000895473167 684614028 /nfs/dbraw/zinc/61/40/28/684614028.db2.gz GWEJQLLHXAGQBD-LBPRGKRZSA-N -1 0 328.340 2.001 10 10 EECERM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1c([O-])ccc(Cl)c1F ZINC000895862700 684745353 /nfs/dbraw/zinc/74/53/53/684745353.db2.gz HCZYMQLDOSZMAX-BXKDBHETSA-N -1 0 331.771 2.385 10 10 EECERM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928711622 687127352 /nfs/dbraw/zinc/12/73/52/687127352.db2.gz JZGDSUZNHVTUSF-GWCFXTLKSA-N -1 0 340.420 2.095 10 10 EECERM CNc1cnc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001298840443 1330126636 /nfs/dbraw/zinc/12/66/36/1330126636.db2.gz AQRFNOIZLUMJIH-UHFFFAOYSA-N -1 0 327.171 2.461 10 10 EECERM O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1n[nH]c(=O)[n-]1 ZINC001559130270 1342497923 /nfs/dbraw/zinc/49/79/23/1342497923.db2.gz AXMNNZLYEMKLEW-UHFFFAOYSA-N -1 0 339.311 2.262 10 10 EECERM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c(C)n1-c1ccccn1 ZINC000910340475 786671724 /nfs/dbraw/zinc/67/17/24/786671724.db2.gz RJOYVNAQSHXBBX-IQUTYRLHSA-N -1 0 339.395 2.472 10 10 EECERM CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)cc1 ZINC000911117699 787265287 /nfs/dbraw/zinc/26/52/87/787265287.db2.gz BLKTYHSWVXNRKU-CVEARBPZSA-N -1 0 334.416 2.123 10 10 EECERM CC(C)(O)C1CCC(C(=O)N(CC(=O)[O-])Cc2ccccc2O)CC1 ZINC000911487303 787483949 /nfs/dbraw/zinc/48/39/49/787483949.db2.gz CPBSIWJKZFRCMT-UHFFFAOYSA-N -1 0 349.427 2.383 10 10 EECERM CCn1nccc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C ZINC000277563819 463920397 /nfs/dbraw/zinc/92/03/97/463920397.db2.gz DJCYFBBDWHLLAK-UHFFFAOYSA-N -1 0 325.390 2.197 10 10 EECERM C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc(Br)c1[O-] ZINC000841891609 684650916 /nfs/dbraw/zinc/65/09/16/684650916.db2.gz MOQPFNVILMTNQE-VXGBXAGGSA-N -1 0 343.265 2.042 10 10 EECERM COC(=O)[C@H](C[C@H]1CCCO1)NCc1c([O-])ccc(Cl)c1F ZINC000895862704 684745153 /nfs/dbraw/zinc/74/51/53/684745153.db2.gz HCZYMQLDOSZMAX-SKDRFNHKSA-N -1 0 331.771 2.385 10 10 EECERM COC1(OC)CC2(CN(C(=O)c3cccc(O)c3O)[C@@H]2C(C)C)C1 ZINC000898349127 691945522 /nfs/dbraw/zinc/94/55/22/691945522.db2.gz FQNMVICIKHWFGQ-OAHLLOKOSA-N -1 0 335.400 2.348 10 10 EECERM O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)ccc(O)c1[O-] ZINC001306485490 1331475930 /nfs/dbraw/zinc/47/59/30/1331475930.db2.gz LXCNZIYIBPUSGI-UHFFFAOYSA-N -1 0 328.303 2.129 10 10 EECERM Cn1nc(-c2ccncc2)cc1NC(=O)c1c(F)ccc(O)c1[O-] ZINC001654362604 1354147647 /nfs/dbraw/zinc/14/76/47/1354147647.db2.gz COSSMSSSNMNCML-UHFFFAOYSA-N -1 0 328.303 2.285 10 10 EECERM CCOc1cc(C)nc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179572201 464159735 /nfs/dbraw/zinc/15/97/35/464159735.db2.gz LQZANEQGXFKEPL-UHFFFAOYSA-N -1 0 328.416 2.212 10 10 EECERM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC000237701202 464366392 /nfs/dbraw/zinc/36/63/92/464366392.db2.gz STJWOMVJQKTFNO-INIZCTEOSA-N -1 0 328.368 2.020 10 10 EECERM COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000905128254 694544320 /nfs/dbraw/zinc/54/43/20/694544320.db2.gz XFHDDILKQRGISB-ZQIUZPCESA-N -1 0 346.427 2.139 10 10 EECERM CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000189427045 1180673559 /nfs/dbraw/zinc/67/35/59/1180673559.db2.gz XZKZWQZFGZMZJC-UHFFFAOYSA-N -1 0 334.397 2.115 10 10 EECERM O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCCSc2nccs2)CO1 ZINC000901719249 1331521073 /nfs/dbraw/zinc/52/10/73/1331521073.db2.gz AEEJTHHRKGSSPD-MNOVXSKESA-N -1 0 344.458 2.011 10 10 EECERM CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H](CCC(=O)[O-])O3)ccc21 ZINC000911302116 787366212 /nfs/dbraw/zinc/36/62/12/787366212.db2.gz WCUDKPJBCBJLOI-WBVHZDCISA-N -1 0 346.427 2.098 10 10 EECERM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cc(Br)ccc1O ZINC000911555079 787526040 /nfs/dbraw/zinc/52/60/40/787526040.db2.gz GZXCAKAVBOUVCR-LLVKDONJSA-N -1 0 330.178 2.128 10 10 EECERM C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[S@]1=O ZINC000844217822 788907536 /nfs/dbraw/zinc/90/75/36/788907536.db2.gz MUNYJMWPHSBWPA-OMDWBDPJSA-N -1 0 338.385 2.040 10 10 EECERM O=C([O-])c1cnn2c1[nH]c(CN1CC3(CC3)c3ccccc31)cc2=O ZINC000738701611 578024252 /nfs/dbraw/zinc/02/42/52/578024252.db2.gz DNAVOLRCSBVAKM-UHFFFAOYSA-N -1 0 336.351 2.185 10 10 EECERM [O-]c1c(Br)cccc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735407102 578152381 /nfs/dbraw/zinc/15/23/81/578152381.db2.gz CBZFEKBQUYAULF-UHFFFAOYSA-N -1 0 338.209 2.227 10 10 EECERM COC(=O)[C@H](CF)NCc1cc(Cl)cc(Br)c1[O-] ZINC000894782370 683092915 /nfs/dbraw/zinc/09/29/15/683092915.db2.gz YKEHEMMIWGPUGB-VIFPVBQESA-N -1 0 340.576 2.409 10 10 EECERM CCN(CC)c1ccc(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC000901933572 1331528161 /nfs/dbraw/zinc/52/81/61/1331528161.db2.gz ARUFGNXMMJDOBG-RDJZCZTQSA-N -1 0 348.443 2.419 10 10 EECERM O=C(Nc1nnc(-c2ccncc2)s1)c1c(F)ccc(O)c1[O-] ZINC001611075083 1352294069 /nfs/dbraw/zinc/29/40/69/1352294069.db2.gz WSUAMRPSCNRHKT-UHFFFAOYSA-N -1 0 332.316 2.403 10 10 EECERM O=C([O-])c1ccnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000911452728 787470833 /nfs/dbraw/zinc/47/08/33/787470833.db2.gz ZAJCRDALQFBSNW-UHFFFAOYSA-N -1 0 326.352 2.294 10 10 EECERM 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