smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]([N-]c2nc(C(C)C)no2)C(C)C)cc1 ZINC000301497283 533135036 /nfs/dbraw/zinc/13/50/36/533135036.db2.gz BPKFAAUSTVSVKN-AWEZNQCLSA-N -1 3 289.379 4.011 20 0 CIADHM O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1[O-] ZINC000005749494 170136698 /nfs/dbraw/zinc/13/66/98/170136698.db2.gz NRGUHDKBSWHUMS-UHFFFAOYSA-N -1 3 281.783 4.345 20 0 CIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(Cl)c1 ZINC000188493585 262300809 /nfs/dbraw/zinc/30/08/09/262300809.db2.gz YWLNJYMJMOPAJH-UHFFFAOYSA-N -1 3 288.155 4.013 20 0 CIADHM Cc1cccc(NC(=O)c2cn[n-]c2-c2ccsc2)c1C ZINC000186927665 262330214 /nfs/dbraw/zinc/33/02/14/262330214.db2.gz JNPCQOSQIRVHCS-UHFFFAOYSA-N -1 3 297.383 4.007 20 0 CIADHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccsc2)c1C ZINC000186927665 262330215 /nfs/dbraw/zinc/33/02/15/262330215.db2.gz JNPCQOSQIRVHCS-UHFFFAOYSA-N -1 3 297.383 4.007 20 0 CIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc2ccccc2o1 ZINC000228718915 262338060 /nfs/dbraw/zinc/33/80/60/262338060.db2.gz GOWGWCCLYMWTEC-NSHDSACASA-N -1 3 285.318 4.128 20 0 CIADHM CC[C@H](C)c1cc(C(=O)[N-]c2ccsc2Cl)on1 ZINC000187890388 263289822 /nfs/dbraw/zinc/28/98/22/263289822.db2.gz UWNLTYWRAFRONI-ZETCQYMHSA-N -1 3 284.768 4.155 20 0 CIADHM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cccc([O-])c2)o1 ZINC000357280272 266271023 /nfs/dbraw/zinc/27/10/23/266271023.db2.gz CBQDIGLNSPNGGI-INIZCTEOSA-N -1 3 299.370 4.051 20 0 CIADHM CCc1sc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000104862865 328810572 /nfs/dbraw/zinc/81/05/72/328810572.db2.gz MLRRGWHHFCQQPY-UHFFFAOYSA-N -1 3 295.791 4.230 20 0 CIADHM Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)c([O-])c1 ZINC000531560477 328017857 /nfs/dbraw/zinc/01/78/57/328017857.db2.gz KRCHHFODNBGFRS-UHFFFAOYSA-N -1 3 295.382 4.052 20 0 CIADHM CC(C)(C)c1ccc(NC(=O)C23CCC(CC2)C3)c([O-])c1 ZINC000506254458 332767319 /nfs/dbraw/zinc/76/73/19/332767319.db2.gz OYVCBXWWDLPIDO-UHFFFAOYSA-N -1 3 287.403 4.209 20 0 CIADHM [O-]c1ccccc1-c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000048785596 328322226 /nfs/dbraw/zinc/32/22/26/328322226.db2.gz PIIFYJABLRPVJG-UHFFFAOYSA-N -1 3 289.306 4.461 20 0 CIADHM Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000111686813 328374622 /nfs/dbraw/zinc/37/46/22/328374622.db2.gz UMANXVRGDKNIRZ-UHFFFAOYSA-N -1 3 286.718 4.071 20 0 CIADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCC[C@H](C)C3)no2)c1 ZINC000111689056 328375042 /nfs/dbraw/zinc/37/50/42/328375042.db2.gz FYYKEOKLBFIBPR-CMPLNLGQSA-N -1 3 272.348 4.044 20 0 CIADHM Cc1cc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000330401221 328460882 /nfs/dbraw/zinc/46/08/82/328460882.db2.gz ODRSTBBHNPDMDC-UHFFFAOYSA-N -1 3 287.359 4.152 20 0 CIADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000558516370 327100766 /nfs/dbraw/zinc/10/07/66/327100766.db2.gz BKRSLYUEDGAFIQ-XHDPSFHLSA-N -1 3 295.810 4.134 20 0 CIADHM C/C=C\c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000560524470 327318367 /nfs/dbraw/zinc/31/83/67/327318367.db2.gz BQCPGIRICVYZOY-IHWYPQMZSA-N -1 3 275.298 4.316 20 0 CIADHM Cc1ccc([O-])c(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000536732208 328685618 /nfs/dbraw/zinc/68/56/18/328685618.db2.gz PJVRKZPASNIYLC-UHFFFAOYSA-N -1 3 295.382 4.148 20 0 CIADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])c(C)c1 ZINC000395717881 328757837 /nfs/dbraw/zinc/75/78/37/328757837.db2.gz NZJHVMIVEUZINV-OAHLLOKOSA-N -1 3 297.398 4.142 20 0 CIADHM Cc1ccc(-c2ncco2)cc1NCc1cc([O-])cc(F)c1 ZINC000370348911 328949494 /nfs/dbraw/zinc/94/94/94/328949494.db2.gz OEISLQSFWLPALG-UHFFFAOYSA-N -1 3 298.317 4.107 20 0 CIADHM Cc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])o1 ZINC000175003648 329162258 /nfs/dbraw/zinc/16/22/58/329162258.db2.gz SYYZTBHHIOBLEI-UHFFFAOYSA-N -1 3 287.359 4.152 20 0 CIADHM CSc1ccc(NC(=O)c2cccc([O-])c2)cc1Cl ZINC000182552181 329242944 /nfs/dbraw/zinc/24/29/44/329242944.db2.gz QEINZZFZMDTFNT-UHFFFAOYSA-N -1 3 293.775 4.020 20 0 CIADHM CC(C)Sc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182615267 329243431 /nfs/dbraw/zinc/24/34/31/329243431.db2.gz OSEGJQDQBGOFCU-UHFFFAOYSA-N -1 3 287.384 4.145 20 0 CIADHM Cc1cc([C@@H](C)N2CCC(C)(C(C)C)CC2)oc1C(=O)[O-] ZINC000583089581 329314190 /nfs/dbraw/zinc/31/41/90/329314190.db2.gz IXPKIMHDAYFAJR-CYBMUJFWSA-N -1 3 293.407 4.105 20 0 CIADHM [O-]c1ccc(F)c(CNCc2ccc3ccccc3c2)c1F ZINC000510283159 332899177 /nfs/dbraw/zinc/89/91/77/332899177.db2.gz MJVCPHLMNFMNLS-UHFFFAOYSA-N -1 3 299.320 4.113 20 0 CIADHM C[C@H](CCc1ccccc1)NCc1cccc([O-])c1Cl ZINC000328079320 330311831 /nfs/dbraw/zinc/31/18/31/330311831.db2.gz AFHVQZBNTKJXTO-CYBMUJFWSA-N -1 3 289.806 4.157 20 0 CIADHM Cc1cccc(C(=O)Nc2ccccc2OC(C)(C)C)c1[O-] ZINC000436543854 330679791 /nfs/dbraw/zinc/67/97/91/330679791.db2.gz ACYIBWOFMOXFIS-UHFFFAOYSA-N -1 3 299.370 4.130 20 0 CIADHM C[C@@H](c1nc(-c2ccc([O-])c3ccccc23)no1)C1CC1 ZINC000436606799 330681298 /nfs/dbraw/zinc/68/12/98/330681298.db2.gz FGGMJSQSDLRJGV-SNVBAGLBSA-N -1 3 280.327 4.109 20 0 CIADHM C[C@H](CC1CCCC1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436684510 330682707 /nfs/dbraw/zinc/68/27/07/330682707.db2.gz BMVCNSJUUNEMMC-LLVKDONJSA-N -1 3 272.348 4.126 20 0 CIADHM CCCCS[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436767176 330684889 /nfs/dbraw/zinc/68/48/89/330684889.db2.gz GBKIARYVZOWIMG-JTQLQIEISA-N -1 3 278.377 4.037 20 0 CIADHM [O-]c1ccc(-c2noc([C@@H](F)CC3CCCCC3)n2)cc1 ZINC000436870522 330687172 /nfs/dbraw/zinc/68/71/72/330687172.db2.gz NQDMVMGLPDCNCA-AWEZNQCLSA-N -1 3 290.338 4.423 20 0 CIADHM Cc1ccc([O-])c(-c2nc(-c3cc(C)cc(C)c3)no2)c1 ZINC000436930129 330688784 /nfs/dbraw/zinc/68/87/84/330688784.db2.gz FVHKMQLTCXPLDY-UHFFFAOYSA-N -1 3 280.327 4.034 20 0 CIADHM CC(C)c1ccc(C(=O)N2CCCC(C)(C)CC2)c([O-])c1 ZINC000440042591 330745816 /nfs/dbraw/zinc/74/58/16/330745816.db2.gz GCPQGDYMFWDJFT-UHFFFAOYSA-N -1 3 289.419 4.168 20 0 CIADHM CC(C)(C)CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448700484 330811090 /nfs/dbraw/zinc/81/10/90/330811090.db2.gz MBLHKUBPRVECLP-UHFFFAOYSA-N -1 3 299.414 4.030 20 0 CIADHM CC(C)(C)c1ccc(NC(=O)CC2CC(F)(F)C2)c([O-])c1 ZINC000451475720 331030948 /nfs/dbraw/zinc/03/09/48/331030948.db2.gz CYSQELICTVORRH-UHFFFAOYSA-N -1 3 297.345 4.064 20 0 CIADHM CC(C)(C)CCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000303138667 332908377 /nfs/dbraw/zinc/90/83/77/332908377.db2.gz ARMQCZZFEANNSK-UHFFFAOYSA-N -1 3 269.772 4.201 20 0 CIADHM CCCCOc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000195535249 331176603 /nfs/dbraw/zinc/17/66/03/331176603.db2.gz YRIZXIUHKXRMNM-UHFFFAOYSA-N -1 3 299.370 4.132 20 0 CIADHM [O-]c1cc(F)cc(CNc2cccc(C3CCC3)c2)c1 ZINC000462861873 331333045 /nfs/dbraw/zinc/33/30/45/331333045.db2.gz UWEMHDOAVCFYKS-UHFFFAOYSA-N -1 3 271.335 4.411 20 0 CIADHM C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)c2c([O-])cccc21 ZINC000469191168 331447347 /nfs/dbraw/zinc/44/73/47/331447347.db2.gz KENLHTDIOGHHHD-CHWSQXEVSA-N -1 3 287.403 4.059 20 0 CIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc3ccccc3c2)n1 ZINC000469805784 331461441 /nfs/dbraw/zinc/46/14/41/331461441.db2.gz GFJAAMUXTHUWDB-GFCCVEGCSA-N -1 3 296.395 4.497 20 0 CIADHM CCc1ccc(C(C)(C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472063897 331528052 /nfs/dbraw/zinc/52/80/52/331528052.db2.gz PAHDFRMUAIMUBR-UHFFFAOYSA-N -1 3 287.378 4.119 20 0 CIADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc([O-])cc1F ZINC000478303418 331703341 /nfs/dbraw/zinc/70/33/41/331703341.db2.gz JVDOWPQBVMINJJ-ZDUSSCGKSA-N -1 3 293.382 4.466 20 0 CIADHM CCc1cc(C(=O)N2CC[C@@H](C)c3ccccc32)ccc1[O-] ZINC000485793902 331923894 /nfs/dbraw/zinc/92/38/94/331923894.db2.gz VWTZZIMGODTJPH-CYBMUJFWSA-N -1 3 295.382 4.109 20 0 CIADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccccc1[O-] ZINC000488561118 332017534 /nfs/dbraw/zinc/01/75/34/332017534.db2.gz FIPRIJCAAKWYHF-UONOGXRCSA-N -1 3 295.382 4.320 20 0 CIADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@@H](C)c2ccc(F)cc2)n1 ZINC000488862591 332030147 /nfs/dbraw/zinc/03/01/47/332030147.db2.gz WPVIDQPKWZYEHS-WDEREUQCSA-N -1 3 292.379 4.185 20 0 CIADHM Cc1ccc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000490186446 332084061 /nfs/dbraw/zinc/08/40/61/332084061.db2.gz BXRCMJJWRVBMKT-MRXNPFEDSA-N -1 3 297.398 4.469 20 0 CIADHM CC(C)(C)c1ccc(NC(=O)c2cccc(F)c2)c([O-])c1 ZINC000501965804 332644171 /nfs/dbraw/zinc/64/41/71/332644171.db2.gz FCHPUFGBMJLUBU-UHFFFAOYSA-N -1 3 287.334 4.081 20 0 CIADHM [O-]c1ccc(F)c(CNc2ccc(F)c(C3CC3)c2)c1F ZINC000513480183 333021940 /nfs/dbraw/zinc/02/19/40/333021940.db2.gz YDVXNCIECIUUKT-UHFFFAOYSA-N -1 3 293.288 4.299 20 0 CIADHM Cc1ccc2nc(/C=C/c3ccc([O-])cc3)ccc2c1 ZINC000007586271 333096442 /nfs/dbraw/zinc/09/64/42/333096442.db2.gz VHIQFTOCGIPODU-XVNBXDOJSA-N -1 3 261.324 4.419 20 0 CIADHM O=C(CCCC1CCCC1)Nc1c([O-])cccc1Cl ZINC000517408308 333099022 /nfs/dbraw/zinc/09/90/22/333099022.db2.gz YORQGFGIGURGLH-UHFFFAOYSA-N -1 3 281.783 4.345 20 0 CIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(F)c(Cl)c1 ZINC000185489185 333141876 /nfs/dbraw/zinc/14/18/76/333141876.db2.gz YHMOXMBQZKYHJP-VIFPVBQESA-N -1 3 297.732 4.175 20 0 CIADHM [O-]c1cc(F)cc(CNc2ccc(CC(F)(F)F)cc2)c1 ZINC000185552948 333143600 /nfs/dbraw/zinc/14/36/00/333143600.db2.gz VQLXTGMOAMOMJR-UHFFFAOYSA-N -1 3 299.267 4.248 20 0 CIADHM CSCc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000185594812 333144460 /nfs/dbraw/zinc/14/44/60/333144460.db2.gz QHDJKDCQUQTFJC-UHFFFAOYSA-N -1 3 277.364 4.006 20 0 CIADHM CCc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000186264217 333157698 /nfs/dbraw/zinc/15/76/98/333157698.db2.gz IZYCNKXIYXRSPK-ZDUSSCGKSA-N -1 3 295.382 4.109 20 0 CIADHM Cc1cccc([O-])c1NC(=O)c1coc2cc(C)c(C)cc12 ZINC000186305189 333158389 /nfs/dbraw/zinc/15/83/89/333158389.db2.gz CUQUWUCGCURZQP-UHFFFAOYSA-N -1 3 295.338 4.316 20 0 CIADHM CCCC[C@H](CCC)NC(=O)c1cc([O-])ccc1Cl ZINC000226038777 333246498 /nfs/dbraw/zinc/24/64/98/333246498.db2.gz OHCBEZOMFZCMCD-NSHDSACASA-N -1 3 283.799 4.134 20 0 CIADHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)C(C)C)c([O-])c1 ZINC000303917943 333348109 /nfs/dbraw/zinc/34/81/09/333348109.db2.gz YDONPLJTQVOIDQ-MRXNPFEDSA-N -1 3 297.398 4.154 20 0 CIADHM CC(C)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000316123020 333385583 /nfs/dbraw/zinc/38/55/83/333385583.db2.gz PKJLJNNBZOMXPC-UHFFFAOYSA-N -1 3 295.382 4.109 20 0 CIADHM Cc1cccc(-c2nc(-c3coc4ccccc34)no2)c1[O-] ZINC000316942298 333407503 /nfs/dbraw/zinc/40/75/03/333407503.db2.gz GLRCTWBQWYMCMQ-UHFFFAOYSA-N -1 3 292.294 4.164 20 0 CIADHM [O-]c1cccc(CN[C@@H]2CCCc3sccc32)c1Cl ZINC000328229569 333480309 /nfs/dbraw/zinc/48/03/09/333480309.db2.gz NRDSGVYRVDRUOI-GFCCVEGCSA-N -1 3 293.819 4.274 20 0 CIADHM CC1(C)CCC[C@H](CC(=O)Nc2cccc([O-])c2F)C1 ZINC000128452885 333673310 /nfs/dbraw/zinc/67/33/10/333673310.db2.gz MOOWNKMCVCOUKK-LLVKDONJSA-N -1 3 279.355 4.076 20 0 CIADHM CC[C@@H](C)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000552364468 334320466 /nfs/dbraw/zinc/32/04/66/334320466.db2.gz MWOWOFMRKNMSHO-SECBINFHSA-N -1 3 289.297 4.176 20 0 CIADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000552408945 334324706 /nfs/dbraw/zinc/32/47/06/334324706.db2.gz IHHQNVIPMKXFGT-RBSFLKMASA-N -1 3 287.403 4.246 20 0 CIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)cc(C)c1F ZINC000552435662 334327029 /nfs/dbraw/zinc/32/70/29/334327029.db2.gz SVDSQXPPXGYTOO-UHFFFAOYSA-N -1 3 293.725 4.054 20 0 CIADHM [O-]c1cccnc1CS[C@@H]1CCCc2ccccc21 ZINC000577020457 335282926 /nfs/dbraw/zinc/28/29/26/335282926.db2.gz PCRDWTQMGBNOKA-MRXNPFEDSA-N -1 3 271.385 4.098 20 0 CIADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)[C@@H]1c1cccs1 ZINC000577305333 335337313 /nfs/dbraw/zinc/33/73/13/335337313.db2.gz HEJZAODPDWXFGA-OAHLLOKOSA-N -1 3 291.391 4.176 20 0 CIADHM CCC(CC)CN(CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000577760625 335398569 /nfs/dbraw/zinc/39/85/69/335398569.db2.gz KNUQINFRZLNPFO-UHFFFAOYSA-N -1 3 297.826 4.296 20 0 CIADHM Cc1ccc(NC(=O)[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000178088714 335413037 /nfs/dbraw/zinc/41/30/37/335413037.db2.gz HRDVDLLGVLBHGB-GFCCVEGCSA-N -1 3 295.338 4.189 20 0 CIADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(C)C)s1 ZINC000184105752 335918221 /nfs/dbraw/zinc/91/82/21/335918221.db2.gz BWMSOXABCZVRBO-UHFFFAOYSA-N -1 3 275.373 4.138 20 0 CIADHM Cc1ccc(NC(=O)c2ccc3sccc3c2)c([O-])c1 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333143260 /nfs/dbraw/zinc/14/32/60/333143260.db2.gz QUVLRWCBASIZFY-UHFFFAOYSA-N -1 3 297.276 4.053 20 0 CIADHM CC[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1F ZINC000185546621 333143383 /nfs/dbraw/zinc/14/33/83/333143383.db2.gz FJPUXJNLVUDLKX-MRXNPFEDSA-N -1 3 295.304 4.050 20 0 CIADHM CC(C)n1ncc2ccc(NCc3cc([O-])cc(F)c3)cc21 ZINC000185592003 333144395 /nfs/dbraw/zinc/14/43/95/333144395.db2.gz VDYNEFPBASHOHA-UHFFFAOYSA-N -1 3 299.349 4.074 20 0 CIADHM CCSc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185596289 333144572 /nfs/dbraw/zinc/14/45/72/333144572.db2.gz NCNMIUSNBWBGPG-UHFFFAOYSA-N -1 3 277.364 4.255 20 0 CIADHM C[C@@H]1CCN(C(=O)CC2=CCCCC2)c2c([O-])cccc21 ZINC000186329463 333158638 /nfs/dbraw/zinc/15/86/38/333158638.db2.gz YSEKERIDHPWHDI-CYBMUJFWSA-N -1 3 285.387 4.123 20 0 CIADHM CC(C)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000223078628 333204214 /nfs/dbraw/zinc/20/42/14/333204214.db2.gz XTUPOEMHXPGJBU-UHFFFAOYSA-N -1 3 259.324 4.267 20 0 CIADHM CC[C@@]1(C)CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 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292.338 4.109 20 0 CIADHM CC(C)[C@H](CC1CCCC1)C(=O)Nc1cccc([O-])c1F ZINC000551761580 334260031 /nfs/dbraw/zinc/26/00/31/334260031.db2.gz XBEQEYHTUNUACD-ZDUSSCGKSA-N -1 3 293.382 4.322 20 0 CIADHM Cc1ccccc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000565686487 334587493 /nfs/dbraw/zinc/58/74/93/334587493.db2.gz KPSUNJCTBWOFHL-UHFFFAOYSA-N -1 3 281.277 4.332 20 0 CIADHM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1[O-] ZINC000572703411 334872725 /nfs/dbraw/zinc/87/27/25/334872725.db2.gz ZVWAQLNNICZYMH-MRXNPFEDSA-N -1 3 297.398 4.236 20 0 CIADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000179556226 335500400 /nfs/dbraw/zinc/50/04/00/335500400.db2.gz VQEJAARPQIIKRA-AWEZNQCLSA-N -1 3 283.371 4.141 20 0 CIADHM Cc1ccc(CCCC(=O)Nc2c(C)cccc2[O-])s1 ZINC000179560540 335500631 /nfs/dbraw/zinc/50/06/31/335500631.db2.gz DRGSBYPNHRLJNK-UHFFFAOYSA-N -1 3 289.400 4.032 20 0 CIADHM [O-]c1cc(CNc2ccccc2F)cc(C(F)(F)F)c1 ZINC000579412256 335745475 /nfs/dbraw/zinc/74/54/75/335745475.db2.gz NGZAMASZRINVKO-UHFFFAOYSA-N -1 3 285.240 4.162 20 0 CIADHM CCc1ccc(NCc2cc([O-])cc(F)c2)cc1C ZINC000381635648 336069704 /nfs/dbraw/zinc/06/97/04/336069704.db2.gz CYSUVZGZPGVSOE-UHFFFAOYSA-N -1 3 259.324 4.014 20 0 CIADHM CC[C@H]1CCCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000382020792 336080353 /nfs/dbraw/zinc/08/03/53/336080353.db2.gz ARBDHUDEERHCLF-ZDUSSCGKSA-N -1 3 295.810 4.193 20 0 CIADHM CC1(C)CCCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000382207464 336084508 /nfs/dbraw/zinc/08/45/08/336084508.db2.gz SJJXEJOVHIPHHZ-UHFFFAOYSA-N -1 3 295.810 4.050 20 0 CIADHM Cc1cc(C(=O)Nc2cccc3ccsc32)ccc1[O-] ZINC000386441924 336174479 /nfs/dbraw/zinc/17/44/79/336174479.db2.gz OXUXQUZUOWEOMY-UHFFFAOYSA-N -1 3 283.352 4.168 20 0 CIADHM Cc1ccc([O-])c(C(=O)N(CC(C)C)c2ccccc2)c1 ZINC000386504152 336175882 /nfs/dbraw/zinc/17/58/82/336175882.db2.gz QUSHYICNOVGYSV-UHFFFAOYSA-N -1 3 283.371 4.003 20 0 CIADHM Cc1cc2occ(C(=O)Nc3ccc([O-])cc3F)c2cc1C ZINC000354589996 534147010 /nfs/dbraw/zinc/14/70/10/534147010.db2.gz DCOOWDCHUYZJOE-UHFFFAOYSA-N -1 3 299.301 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20 0 CIADHM