smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)[O-])c1ccc(Oc2nccs2)cc1 ZINC000000000851 350311597 /nfs/dbraw/zinc/31/15/97/350311597.db2.gz RXZTWBVFHQLTBU-QMMMGPOBSA-N -1 0 249.291 3.124 10 0 in-man BGAERM O=C([O-])C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000000342548 182480133 /nfs/dbraw/zinc/48/01/33/182480133.db2.gz QLBOQQXMVVKOCI-NWDGAFQWSA-N -1 0 204.269 3.045 10 0 BGAERM C[C@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000000345869 342684279 /nfs/dbraw/zinc/68/42/79/342684279.db2.gz YEUZPPMNBARTOY-VIFPVBQESA-N -1 0 206.285 3.172 10 0 BGAERM C[C@@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000000345873 342684475 /nfs/dbraw/zinc/68/44/75/342684475.db2.gz YEUZPPMNBARTOY-SECBINFHSA-N -1 0 206.285 3.172 10 0 BGAERM O=C([O-])C1=Cc2ccccc2Oc2ccccc21 ZINC000000415541 182428212 /nfs/dbraw/zinc/42/82/12/182428212.db2.gz BBBADFKCXHGXLZ-UHFFFAOYSA-N -1 0 238.242 3.418 10 0 BGAERM CC[C@@H](C)n1c(=O)c2sccc2[n-]c1=S ZINC000000425426 384530228 /nfs/dbraw/zinc/53/02/28/384530228.db2.gz YQNLQFMBABKCRY-ZCFIWIBFSA-N -1 0 240.353 3.092 10 0 BGAERM CC[C@H](C)n1c(=O)c2sccc2[n-]c1=S ZINC000000425427 384531586 /nfs/dbraw/zinc/53/15/86/384531586.db2.gz YQNLQFMBABKCRY-LURJTMIESA-N -1 0 240.353 3.092 10 0 BGAERM [O-]c1ccccc1Sc1ccccc1O ZINC000000496162 187300514 /nfs/dbraw/zinc/30/05/14/187300514.db2.gz BLDLRWQLBOJPEB-UHFFFAOYSA-N -1 0 218.277 3.249 10 0 BGAERM CCc1ccc2nc(Cl)c(C(=O)[O-])cc2c1 ZINC000000874051 171851557 /nfs/dbraw/zinc/85/15/57/171851557.db2.gz KFTZXWBMXLBXJM-UHFFFAOYSA-N -1 0 235.670 3.149 10 0 BGAERM Cc1cc2cc(C(=O)[O-])c(Cl)nc2cc1C ZINC000000874054 178294996 /nfs/dbraw/zinc/29/49/96/178294996.db2.gz ZSOSXMDKHKAYPG-UHFFFAOYSA-N -1 0 235.670 3.203 10 0 BGAERM [O-]c1c(Cl)cc(O)c(Cl)c1Cl ZINC000000896614 183257033 /nfs/dbraw/zinc/25/70/33/183257033.db2.gz ZIIRLFNUZROIBX-UHFFFAOYSA-N -1 0 213.447 3.058 10 0 in-vitro BGAERM O=c1c2ccccc2occ1-c1ccccc1O ZINC000000901543 560179795 /nfs/dbraw/zinc/17/97/95/560179795.db2.gz SZYDLZMCCKYZBP-UHFFFAOYSA-N -1 0 238.242 3.166 10 0 in-vitro BGAERM C[C@H](C(=O)[O-])c1cccc(Cc2ccccc2)c1 ZINC000001009784 342695887 /nfs/dbraw/zinc/69/58/87/342695887.db2.gz RYYYTOGKTKBJDJ-LBPRGKRZSA-N -1 0 240.302 3.466 10 0 in-vitro BGAERM C[C@@H](C(=O)[O-])c1cccc(Cc2ccccc2)c1 ZINC000001009785 342695835 /nfs/dbraw/zinc/69/58/35/342695835.db2.gz RYYYTOGKTKBJDJ-GFCCVEGCSA-N -1 0 240.302 3.466 10 0 in-vitro BGAERM COc1ccc(CCC(C)(C)CC(=O)[O-])cc1 ZINC000001022307 175088624 /nfs/dbraw/zinc/08/86/24/175088624.db2.gz FGGYCXQIJDBFMR-UHFFFAOYSA-N -1 0 236.311 3.129 10 0 BGAERM O=C([O-])[C@@H](CCc1ccccc1)c1ccccc1 ZINC000001090533 342697446 /nfs/dbraw/zinc/69/74/46/342697446.db2.gz FZFIAPLRITZLME-HNNXBMFYSA-N -1 0 240.302 3.488 10 0 BGAERM O=C([O-])[C@H](CCc1ccccc1)c1ccccc1 ZINC000001090534 342697529 /nfs/dbraw/zinc/69/75/29/342697529.db2.gz FZFIAPLRITZLME-OAHLLOKOSA-N -1 0 240.302 3.488 10 0 BGAERM Cc1ccccc1-c1ccccc1CC(=O)[O-] ZINC000001259416 353113245 /nfs/dbraw/zinc/11/32/45/353113245.db2.gz CDXCQMTVJWVFAH-UHFFFAOYSA-N -1 0 226.275 3.289 10 0 BGAERM COc1ccc2ccccc2c1/C=C(/C)C(=O)[O-] ZINC000001596363 175225614 /nfs/dbraw/zinc/22/56/14/175225614.db2.gz JVBDICQCEOOBBW-KTKRTIGZSA-N -1 0 242.274 3.336 10 0 BGAERM Cc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000001602035 177595751 /nfs/dbraw/zinc/59/57/51/177595751.db2.gz MHJGSEXAJKXRKK-UHFFFAOYSA-N -1 0 205.040 3.000 10 0 BGAERM CCC(C)(C)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000001605544 168306302 /nfs/dbraw/zinc/30/63/02/168306302.db2.gz QDZHAABOWALIHW-JTQLQIEISA-N -1 0 236.311 3.226 10 0 BGAERM CCc1ccc(OCCCCCC(=O)[O-])cc1 ZINC000001606334 357000952 /nfs/dbraw/zinc/00/09/52/357000952.db2.gz BTZVTOAHRLPDEA-UHFFFAOYSA-N -1 0 236.311 3.273 10 0 BGAERM O=C([O-])CCCCCCCCCCCCO ZINC000001610426 560183023 /nfs/dbraw/zinc/18/30/23/560183023.db2.gz DWXOPJCPYKBNEC-UHFFFAOYSA-N -1 0 230.348 3.354 10 0 in-vitro BGAERM COc1ccc2ccccc2c1CCCC(=O)[O-] ZINC000001610435 175225700 /nfs/dbraw/zinc/22/57/00/175225700.db2.gz QBXQMSYOUZFSPT-UHFFFAOYSA-N -1 0 244.290 3.256 10 0 BGAERM COCCCCCCCCCCC(=O)[O-] ZINC000001641920 174175307 /nfs/dbraw/zinc/17/53/07/174175307.db2.gz WIRNCMWAXLBKCD-UHFFFAOYSA-N -1 0 216.321 3.228 10 0 BGAERM CCCOc1cc(C)c(C(=O)[O-])c(CC)c1 ZINC000001648415 169313995 /nfs/dbraw/zinc/31/39/95/169313995.db2.gz BQSQUHFJCFUYRX-UHFFFAOYSA-N -1 0 222.284 3.044 10 0 BGAERM O=C([O-])/C(=C/c1ccccc1)c1ccc(O)cc1 ZINC000001690336 182407616 /nfs/dbraw/zinc/40/76/16/182407616.db2.gz PWIVKZVIIHYFAY-GXDHUFHOSA-N -1 0 240.258 3.017 10 0 BGAERM O=C([O-])/C(=C\c1ccccc1)c1ccc(O)cc1 ZINC000001690337 383923466 /nfs/dbraw/zinc/92/34/66/383923466.db2.gz PWIVKZVIIHYFAY-UVTDQMKNSA-N -1 0 240.258 3.017 10 0 BGAERM CC[C@@H](C)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000001694962 383926099 /nfs/dbraw/zinc/92/60/99/383926099.db2.gz CGXMDIBLXDQTMH-ZJUUUORDSA-N -1 0 222.284 3.052 10 0 BGAERM CC[C@H](C)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000001694963 383926053 /nfs/dbraw/zinc/92/60/53/383926053.db2.gz CGXMDIBLXDQTMH-UWVGGRQHSA-N -1 0 222.284 3.052 10 0 BGAERM CC[C@@H](C)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000001694964 383924907 /nfs/dbraw/zinc/92/49/07/383924907.db2.gz CGXMDIBLXDQTMH-NXEZZACHSA-N -1 0 222.284 3.052 10 0 BGAERM CC[C@H](C)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000001694965 171410073 /nfs/dbraw/zinc/41/00/73/171410073.db2.gz CGXMDIBLXDQTMH-VHSXEESVSA-N -1 0 222.284 3.052 10 0 BGAERM Cc1cc(Cl)c(C(=O)[O-])cc1Br ZINC000001722896 357184167 /nfs/dbraw/zinc/18/41/67/357184167.db2.gz WZZDFLXTHBVRGY-UHFFFAOYSA-N -1 0 249.491 3.109 10 0 BGAERM O=C([O-])Cc1ccc(Cl)c2ccccc12 ZINC000001732194 387047905 /nfs/dbraw/zinc/04/79/05/387047905.db2.gz LCZVWFNEVFJDAJ-UHFFFAOYSA-N -1 0 220.655 3.120 10 0 BGAERM C[C@H](CC(=O)[O-])Oc1cc(Cl)cc(Cl)c1 ZINC000001843724 176602816 /nfs/dbraw/zinc/60/28/16/176602816.db2.gz NWXIUIWAVPASHD-ZCFIWIBFSA-N -1 0 249.093 3.235 10 0 BGAERM C[C@@H](C(=O)[O-])c1ccc(Oc2nccs2)cc1 ZINC000001846293 351566845 /nfs/dbraw/zinc/56/68/45/351566845.db2.gz RXZTWBVFHQLTBU-MRVPVSSYSA-N -1 0 249.291 3.124 10 0 in-man BGAERM O=C([O-])Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000001852049 383937879 /nfs/dbraw/zinc/93/78/79/383937879.db2.gz ROTGBOYWQQKIMO-UHFFFAOYSA-N -1 0 244.077 3.102 10 0 BGAERM O=C([O-])Cc1cc(F)cc(-c2ccccc2)c1 ZINC000001854387 383938985 /nfs/dbraw/zinc/93/89/85/383938985.db2.gz JGBOWITUOMPRBI-UHFFFAOYSA-N -1 0 230.238 3.120 10 0 BGAERM COc1cc(CC(=O)[O-])cc(C2CCCCC2)c1 ZINC000002005589 342714154 /nfs/dbraw/zinc/71/41/54/342714154.db2.gz AHDHGUHGYWNZNG-UHFFFAOYSA-N -1 0 248.322 3.370 10 0 BGAERM CC(C)(Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000002014845 187926036 /nfs/dbraw/zinc/92/60/36/187926036.db2.gz GUOJPBXXOMDAGO-UHFFFAOYSA-N -1 0 230.716 3.295 10 0 BGAERM Cc1cc(Cl)c(C(=O)[O-])cc1Cl ZINC000002016186 178061512 /nfs/dbraw/zinc/06/15/12/178061512.db2.gz KZEKKSQWQXNSBB-UHFFFAOYSA-N -1 0 205.040 3.000 10 0 BGAERM O=C([O-])c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000002017527 355915357 /nfs/dbraw/zinc/91/53/57/355915357.db2.gz RXHAQWAUXWKINY-UHFFFAOYSA-N -1 0 249.653 3.226 10 0 BGAERM CCCCOc1ccc(CC(=O)[O-])cc1Cl ZINC000002018719 168918598 /nfs/dbraw/zinc/91/85/98/168918598.db2.gz LXZKVRZDXPACMC-UHFFFAOYSA-N -1 0 242.702 3.146 10 0 BGAERM CC[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000002018784 171238679 /nfs/dbraw/zinc/23/86/79/171238679.db2.gz BKYOHEHDQWPGOY-ZDUSSCGKSA-N -1 0 214.264 3.418 10 0 BGAERM CC[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000002018785 170670457 /nfs/dbraw/zinc/67/04/57/170670457.db2.gz BKYOHEHDQWPGOY-CYBMUJFWSA-N -1 0 214.264 3.418 10 0 BGAERM CCCCC[C@H](C(=O)[O-])c1ccccc1 ZINC000002037217 168741719 /nfs/dbraw/zinc/74/17/19/168741719.db2.gz LHDANYVMYMTDHJ-LBPRGKRZSA-N -1 0 206.285 3.435 10 0 BGAERM CCCCC[C@@H](C(=O)[O-])c1ccccc1 ZINC000002037218 342714875 /nfs/dbraw/zinc/71/48/75/342714875.db2.gz LHDANYVMYMTDHJ-GFCCVEGCSA-N -1 0 206.285 3.435 10 0 BGAERM Cc1ccc(C(=O)C[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000002378335 229450892 /nfs/dbraw/zinc/45/08/92/229450892.db2.gz BYTVBMWKXJZNBJ-YPMHNXCESA-N -1 0 246.306 3.069 10 0 BGAERM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2ccccc2)C1 ZINC000002378408 182020566 /nfs/dbraw/zinc/02/05/66/182020566.db2.gz PVKLKPBXJCWRBO-YPMHNXCESA-N -1 0 246.306 3.150 10 0 BGAERM O=C([O-])[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)C1 ZINC000002378433 182020441 /nfs/dbraw/zinc/02/04/41/182020441.db2.gz PVKLKPBXJCWRBO-DGCLKSJQSA-N -1 0 246.306 3.150 10 0 BGAERM CCCCCCOc1ccc(C(=O)[O-])cc1F ZINC000002379712 168671465 /nfs/dbraw/zinc/67/14/65/168671465.db2.gz YESNVFNRNPLKED-UHFFFAOYSA-N -1 0 240.274 3.483 10 0 BGAERM O=C([O-])/C=C/c1ccc2c(c1)Cc1ccccc1-2 ZINC000002504977 371562488 /nfs/dbraw/zinc/56/24/88/371562488.db2.gz ROYMPXSAONCYQV-SOFGYWHQSA-N -1 0 236.270 3.356 10 0 BGAERM O=P1([O-])Oc2ccccc2-c2ccccc2O1 ZINC000002512291 368369957 /nfs/dbraw/zinc/36/99/57/368369957.db2.gz RMRHEPZUTYXELS-UHFFFAOYSA-N -1 0 248.174 3.225 10 0 BGAERM O=C([O-])c1ccncc1Cc1ccc(Cl)cc1 ZINC000002524948 342722474 /nfs/dbraw/zinc/72/24/74/342722474.db2.gz NJENTRVCKGPCPI-UHFFFAOYSA-N -1 0 247.681 3.024 10 0 BGAERM CCc1ccc2sc(C(=O)[O-])cc2c1 ZINC000002536923 171852680 /nfs/dbraw/zinc/85/26/80/171852680.db2.gz ONNKWVVHZZORRC-UHFFFAOYSA-N -1 0 206.266 3.162 10 0 BGAERM O=C([O-])C1(Nc2cccc(F)c2)CCCCC1 ZINC000002559567 383975905 /nfs/dbraw/zinc/97/59/05/383975905.db2.gz VMFBOPOKTDDYPR-UHFFFAOYSA-N -1 0 237.274 3.025 10 0 BGAERM CC(C)CCOP(=O)([O-])OCCC(C)C ZINC000002563394 383976852 /nfs/dbraw/zinc/97/68/52/383976852.db2.gz PYKHKJJMHQLJOH-UHFFFAOYSA-N -1 0 238.264 3.212 10 0 BGAERM O=C([O-])CCCCCc1c[nH]c2ccccc12 ZINC000002566960 383975745 /nfs/dbraw/zinc/97/57/45/383975745.db2.gz MDAWQYLSKUSBQG-UHFFFAOYSA-N -1 0 231.295 3.355 10 0 BGAERM Cc1ccccc1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002574464 179254011 /nfs/dbraw/zinc/25/40/11/179254011.db2.gz FZGOZGATZZWODF-OLZOCXBDSA-N -1 0 246.306 3.069 10 0 BGAERM Cc1ccccc1C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002574479 387916193 /nfs/dbraw/zinc/91/61/93/387916193.db2.gz FZGOZGATZZWODF-STQMWFEESA-N -1 0 246.306 3.069 10 0 BGAERM Cc1ccccc1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000002574517 179253948 /nfs/dbraw/zinc/25/39/48/179253948.db2.gz DGBUMVZGPSXIHQ-VXGBXAGGSA-N -1 0 246.306 3.069 10 0 BGAERM Cc1cccc(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000002574518 188101120 /nfs/dbraw/zinc/10/11/20/188101120.db2.gz CRVGWBFUJRSQOX-CHWSQXEVSA-N -1 0 246.306 3.069 10 0 BGAERM O=C([O-])[C@H]1CCCC[C@H]1CC(=O)c1ccccc1 ZINC000002574571 182017657 /nfs/dbraw/zinc/01/76/57/182017657.db2.gz RKPPDKWMENPRKR-STQMWFEESA-N -1 0 246.306 3.150 10 0 BGAERM O=C([O-])[C@H]1CCCC[C@@H]1CC(=O)c1ccccc1 ZINC000002574587 182026813 /nfs/dbraw/zinc/02/68/13/182026813.db2.gz RKPPDKWMENPRKR-OLZOCXBDSA-N -1 0 246.306 3.150 10 0 BGAERM O=C([O-])CCC(=O)c1c(Cl)cccc1Cl ZINC000002579933 182434894 /nfs/dbraw/zinc/43/48/94/182434894.db2.gz IBENUZDXNGTFTM-UHFFFAOYSA-N -1 0 247.077 3.041 10 0 BGAERM CCOC(=O)C(C)(C)Cc1ccc([S-])cc1 ZINC000002583543 170186377 /nfs/dbraw/zinc/18/63/77/170186377.db2.gz GARCOZSVVMBQFJ-UHFFFAOYSA-N -1 0 238.352 3.107 10 0 in-vitro BGAERM C/C(=C/c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000003051305 188276057 /nfs/dbraw/zinc/27/60/57/188276057.db2.gz RRFQDBWWFNMLQO-XQRVVYSFSA-N -1 0 231.078 3.481 10 0 BGAERM O=C([O-])c1ccc(Cl)nc1Nc1ccccc1 ZINC000003175866 398321085 /nfs/dbraw/zinc/32/10/85/398321085.db2.gz DBUAFVVCWPMWDB-UHFFFAOYSA-N -1 0 248.669 3.177 10 0 BGAERM O=C([O-])C1c2ccccc2Sc2ccccc21 ZINC000003199181 384003604 /nfs/dbraw/zinc/00/36/04/384003604.db2.gz DHALJNUNTPESFN-UHFFFAOYSA-N -1 0 242.299 3.368 10 0 BGAERM CC[C@@H](C)c1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000003748661 384026340 /nfs/dbraw/zinc/02/63/40/384026340.db2.gz GZZALJVATHNTNE-MRVPVSSYSA-N -1 0 217.268 3.380 10 0 BGAERM CC[C@H](C)c1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000003748662 171412284 /nfs/dbraw/zinc/41/22/84/171412284.db2.gz GZZALJVATHNTNE-QMMMGPOBSA-N -1 0 217.268 3.380 10 0 BGAERM CCC(C)(C)c1ccc(CC(=O)[O-])cc1 ZINC000003750842 168306029 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/nfs/dbraw/zinc/09/15/06/180091506.db2.gz FHYPGKUASSFWLZ-UHFFFAOYSA-N -1 0 229.279 3.365 10 0 BGAERM [O-]c1c2ccsc2ccc1Br ZINC000015043129 183252825 /nfs/dbraw/zinc/25/28/25/183252825.db2.gz RCWMLFOECUDVQL-UHFFFAOYSA-N -1 0 229.098 3.369 10 0 BGAERM CC(C)(C)c1cc(=O)n(C2CCCCCC2)[n-]1 ZINC000015043196 342890993 /nfs/dbraw/zinc/89/09/93/342890993.db2.gz UNNRZQPQJBHKGL-UHFFFAOYSA-N -1 0 236.359 3.344 10 0 BGAERM COc1ccc(-n2c(=S)[n-]nc2C(C)C)cc1 ZINC000015109564 175044337 /nfs/dbraw/zinc/04/43/37/175044337.db2.gz HUBHOMPWAYZVQQ-UHFFFAOYSA-N -1 0 249.339 3.062 10 0 BGAERM [O-]c1ccc(Cl)cc1Cc1ccccc1O ZINC000015771981 183304133 /nfs/dbraw/zinc/30/41/33/183304133.db2.gz JFICBMAELAHNNQ-UHFFFAOYSA-N -1 0 234.682 3.342 10 0 BGAERM Cc1ccc(C(=O)c2cccc(C)c2O)cc1 ZINC000015784509 188105911 /nfs/dbraw/zinc/10/59/11/188105911.db2.gz URAHCXVXMJJJSU-UHFFFAOYSA-N -1 0 226.275 3.240 10 0 BGAERM O=C([O-])c1c2c(nc3c(Cl)cccc31)CCC2 ZINC000016430918 188107117 /nfs/dbraw/zinc/10/71/17/188107117.db2.gz PZJVOTNDSNJOGG-UHFFFAOYSA-N -1 0 247.681 3.075 10 0 BGAERM COc1ccc2ccccc2c1/C=C(\C)C(=O)[O-] ZINC000016890861 175225643 /nfs/dbraw/zinc/22/56/43/175225643.db2.gz JVBDICQCEOOBBW-MDZDMXLPSA-N -1 0 242.274 3.336 10 0 BGAERM O=C([O-])c1ccc(-c2ccc3c(c2)CCN3)cc1 ZINC000016945929 342917550 /nfs/dbraw/zinc/91/75/50/342917550.db2.gz HJARSOLINSDYDO-UHFFFAOYSA-N -1 0 239.274 3.020 10 0 BGAERM CSc1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000016948079 188270422 /nfs/dbraw/zinc/27/04/22/188270422.db2.gz KTWYUNTVKWMQSJ-UHFFFAOYSA-N -1 0 245.303 3.169 10 0 BGAERM Cc1cc(C(=O)[O-])ccc1NCc1cccs1 ZINC000016973364 177824643 /nfs/dbraw/zinc/82/46/43/177824643.db2.gz CDNWZMTVQYDHCB-UHFFFAOYSA-N -1 0 247.319 3.367 10 0 BGAERM Cc1ccc(/C=C(\C(=O)[O-])c2cccs2)o1 ZINC000017175420 178352339 /nfs/dbraw/zinc/35/23/39/178352339.db2.gz UJNSKZNQUVJVGL-YFHOEESVSA-N -1 0 234.276 3.275 10 0 BGAERM Nc1ccc(N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000017322332 363371610 /nfs/dbraw/zinc/37/16/10/363371610.db2.gz KJNBDJZDRNLJJG-UHFFFAOYSA-N -1 0 241.250 3.382 10 0 BGAERM Cc1c(Cl)cccc1-c1oncc1C(=O)[O-] ZINC000019045313 177599580 /nfs/dbraw/zinc/59/95/80/177599580.db2.gz ZSRZNTCZCCMIED-UHFFFAOYSA-N -1 0 237.642 3.002 10 0 BGAERM CCc1ccc(Oc2ncccc2C(=O)[O-])cc1 ZINC000019257259 384512835 /nfs/dbraw/zinc/51/28/35/384512835.db2.gz RICLKTXAEHRTNZ-UHFFFAOYSA-N -1 0 243.262 3.135 10 0 BGAERM Cc1cc(C(=O)[O-])c(C)n1CCc1ccccc1 ZINC000019262089 384685077 /nfs/dbraw/zinc/68/50/77/384685077.db2.gz AZGUGZFXPVMKGX-UHFFFAOYSA-N -1 0 243.306 3.046 10 0 BGAERM Cc1ccc(SCCCC(=O)[O-])cc1C ZINC000019262602 188002759 /nfs/dbraw/zinc/00/27/59/188002759.db2.gz PBWSNKRMZHVOJV-UHFFFAOYSA-N -1 0 224.325 3.260 10 0 BGAERM CCC(CC)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000019267293 168340296 /nfs/dbraw/zinc/34/02/96/168340296.db2.gz VXFGSCBHGTZKAM-UHFFFAOYSA-N -1 0 249.310 3.068 10 0 BGAERM CCCOc1cc2ccccc2cc1C(=O)[O-] ZINC000019274283 169315770 /nfs/dbraw/zinc/31/57/70/169315770.db2.gz IDZCHSCKSJDRLM-UHFFFAOYSA-N -1 0 230.263 3.327 10 0 BGAERM Cc1cc(Cl)cc(C)c1OCCCC(=O)[O-] ZINC000019385280 178062980 /nfs/dbraw/zinc/06/29/80/178062980.db2.gz LSUKAGYPZRZRGN-UHFFFAOYSA-N -1 0 242.702 3.200 10 0 BGAERM CCC[C@@H](C)n1c(C)cc(C(=O)[O-])c1C ZINC000019388285 169375200 /nfs/dbraw/zinc/37/52/00/169375200.db2.gz HQJSJFXPPKJFOF-MRVPVSSYSA-N -1 0 209.289 3.164 10 0 BGAERM C[C@H]1C[C@@H]1c1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000019397861 177352612 /nfs/dbraw/zinc/35/26/12/177352612.db2.gz SPHHUQXKNQJSEZ-WPRPVWTQSA-N -1 0 243.262 3.163 10 0 BGAERM C[C@H]1C[C@H]1c1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000019397867 177387525 /nfs/dbraw/zinc/38/75/25/177387525.db2.gz SPHHUQXKNQJSEZ-WCBMZHEXSA-N -1 0 243.262 3.163 10 0 BGAERM C[C@H]1C[C@@H]1c1oc(-c2cccs2)nc1C(=O)[O-] ZINC000019400381 177352492 /nfs/dbraw/zinc/35/24/92/177352492.db2.gz YEDFMXFJTLMLPF-BQBZGAKWSA-N -1 0 249.291 3.225 10 0 BGAERM C[C@H]1C[C@H]1c1oc(-c2cccs2)nc1C(=O)[O-] ZINC000019400387 177387004 /nfs/dbraw/zinc/38/70/04/177387004.db2.gz YEDFMXFJTLMLPF-NKWVEPMBSA-N -1 0 249.291 3.225 10 0 BGAERM CC(C)(C)c1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000019402323 188280617 /nfs/dbraw/zinc/28/06/17/188280617.db2.gz OYYFGXLIRKHELY-UHFFFAOYSA-N -1 0 245.278 3.337 10 0 BGAERM O=C([O-])c1nc(-c2cccs2)oc1C1CCC1 ZINC000019403109 188280688 /nfs/dbraw/zinc/28/06/88/188280688.db2.gz CENNVAOYWJUBRK-UHFFFAOYSA-N -1 0 249.291 3.369 10 0 BGAERM O=C([O-])CCCNc1ccc2ccccc2c1 ZINC000019409606 182440732 /nfs/dbraw/zinc/44/07/32/182440732.db2.gz YGFSASCDQUMCTE-UHFFFAOYSA-N -1 0 229.279 3.117 10 0 BGAERM CC(C)c1cccc(NCCCC(=O)[O-])c1 ZINC000019409949 167633717 /nfs/dbraw/zinc/63/37/17/167633717.db2.gz WIAASKNAZZQBGQ-UHFFFAOYSA-N -1 0 221.300 3.087 10 0 BGAERM O=C([O-])CCCNc1ccc(Cl)c(Cl)c1 ZINC000019410580 182441186 /nfs/dbraw/zinc/44/11/86/182441186.db2.gz OWMKFRXWPQVZKJ-UHFFFAOYSA-N -1 0 248.109 3.270 10 0 BGAERM CC(C)c1ccc(NCCCC(=O)[O-])cc1 ZINC000019410913 167604370 /nfs/dbraw/zinc/60/43/70/167604370.db2.gz OFHXPZIKAKNUAC-UHFFFAOYSA-N -1 0 221.300 3.087 10 0 BGAERM O=C([O-])CCCNc1cccc(Cl)c1Cl ZINC000019411028 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/nfs/dbraw/zinc/93/22/90/342932290.db2.gz KTAYMWQRNMXGPG-LBPRGKRZSA-N -1 0 206.285 3.038 10 0 BGAERM CCC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000037462396 342932273 /nfs/dbraw/zinc/93/22/73/342932273.db2.gz KTAYMWQRNMXGPG-GFCCVEGCSA-N -1 0 206.285 3.038 10 0 BGAERM CCCC[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000037462398 342932296 /nfs/dbraw/zinc/93/22/96/342932296.db2.gz QPELRNZOXDFUSD-NSHDSACASA-N -1 0 224.275 3.259 10 0 BGAERM CCCC[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000037462400 342932238 /nfs/dbraw/zinc/93/22/38/342932238.db2.gz QPELRNZOXDFUSD-LLVKDONJSA-N -1 0 224.275 3.259 10 0 BGAERM CCC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000037462413 364046917 /nfs/dbraw/zinc/04/69/17/364046917.db2.gz UBUNYNSWYBNUKN-JTQLQIEISA-N -1 0 226.703 3.383 10 0 BGAERM CCC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000037462415 364046764 /nfs/dbraw/zinc/04/67/64/364046764.db2.gz UBUNYNSWYBNUKN-SNVBAGLBSA-N -1 0 226.703 3.383 10 0 BGAERM Cc1cccc(C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000037462445 179104976 /nfs/dbraw/zinc/10/49/76/179104976.db2.gz JVKRZHJXKHPKNR-ZDUSSCGKSA-N -1 0 220.312 3.284 10 0 BGAERM CCCC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000037462451 364047172 /nfs/dbraw/zinc/04/71/72/364047172.db2.gz DRKPAUNDKQKMHZ-NSHDSACASA-N -1 0 224.275 3.259 10 0 BGAERM CCCC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000037462453 364046888 /nfs/dbraw/zinc/04/68/88/364046888.db2.gz DRKPAUNDKQKMHZ-LLVKDONJSA-N -1 0 224.275 3.259 10 0 BGAERM CCCC[C@@H](Cc1ccccc1F)C(=O)[O-] ZINC000037462506 364046716 /nfs/dbraw/zinc/04/67/16/364046716.db2.gz YJRDEKYOSMRZHE-NSHDSACASA-N -1 0 224.275 3.259 10 0 BGAERM CCCC[C@H](Cc1ccccc1F)C(=O)[O-] ZINC000037462508 364046812 /nfs/dbraw/zinc/04/68/12/364046812.db2.gz YJRDEKYOSMRZHE-LLVKDONJSA-N -1 0 224.275 3.259 10 0 BGAERM CCC[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000037462526 364047221 /nfs/dbraw/zinc/04/72/21/364047221.db2.gz OYDQKEOLVSXOEI-JTQLQIEISA-N -1 0 226.703 3.383 10 0 BGAERM CCC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000037462528 364047152 /nfs/dbraw/zinc/04/71/52/364047152.db2.gz OYDQKEOLVSXOEI-SNVBAGLBSA-N -1 0 226.703 3.383 10 0 BGAERM CCCC[C@@H](Cc1ccc(OC)cc1)C(=O)[O-] ZINC000037528411 168967496 /nfs/dbraw/zinc/96/74/96/168967496.db2.gz NXZRQNXUKKHMGH-LBPRGKRZSA-N -1 0 236.311 3.129 10 0 BGAERM CCCC[C@H](Cc1ccc(OC)cc1)C(=O)[O-] ZINC000037528412 169006431 /nfs/dbraw/zinc/00/64/31/169006431.db2.gz NXZRQNXUKKHMGH-GFCCVEGCSA-N -1 0 236.311 3.129 10 0 BGAERM CCCC[C@@H](Cc1cccc(OC)c1)C(=O)[O-] ZINC000037528645 348635308 /nfs/dbraw/zinc/63/53/08/348635308.db2.gz GGKHZIAEXBPHTO-LBPRGKRZSA-N -1 0 236.311 3.129 10 0 BGAERM CCCC[C@H](Cc1cccc(OC)c1)C(=O)[O-] ZINC000037528646 169005493 /nfs/dbraw/zinc/00/54/93/169005493.db2.gz GGKHZIAEXBPHTO-GFCCVEGCSA-N -1 0 236.311 3.129 10 0 BGAERM CCCC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC000037528829 343348392 /nfs/dbraw/zinc/34/83/92/343348392.db2.gz RTQRWLUEDRPQJQ-LBPRGKRZSA-N -1 0 236.311 3.129 10 0 BGAERM CCCC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC000037528830 348635354 /nfs/dbraw/zinc/63/53/54/348635354.db2.gz RTQRWLUEDRPQJQ-GFCCVEGCSA-N -1 0 236.311 3.129 10 0 BGAERM CC(C)=CCc1cccc2c(C(=O)[O-])c[nH]c21 ZINC000037538612 343348332 /nfs/dbraw/zinc/34/83/32/343348332.db2.gz OULFVOIAZKEFST-UHFFFAOYSA-N -1 0 229.279 3.375 10 0 BGAERM CC(C)CCN(CCC(=O)[O-])c1ccccc1 ZINC000037595130 409737713 /nfs/dbraw/zinc/73/77/13/409737713.db2.gz DYPJWLMKFHEIDK-UHFFFAOYSA-N -1 0 235.327 3.014 10 0 BGAERM CCCCCN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595866 132344836 /nfs/dbraw/zinc/34/48/36/132344836.db2.gz GLPVVOANQBVYSM-UHFFFAOYSA-N -1 0 247.338 3.328 10 0 BGAERM CC(C)=CCN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595886 132344703 /nfs/dbraw/zinc/34/47/03/132344703.db2.gz JQKVFPWDZVXSKU-UHFFFAOYSA-N -1 0 245.322 3.104 10 0 BGAERM Cc1cccc([C@H](C(=O)[O-])c2ccccc2)c1 ZINC000037629163 179193138 /nfs/dbraw/zinc/19/31/38/179193138.db2.gz BCVXJTWFPCPASC-CQSZACIVSA-N -1 0 226.275 3.212 10 0 BGAERM Cc1cccc([C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000037629165 179179195 /nfs/dbraw/zinc/17/91/95/179179195.db2.gz BCVXJTWFPCPASC-AWEZNQCLSA-N -1 0 226.275 3.212 10 0 BGAERM O=Cc1cc(Cc2ccc(Cl)cc2)ccc1O ZINC000037637331 383991173 /nfs/dbraw/zinc/99/11/73/383991173.db2.gz KJOROGVQSCADFH-UHFFFAOYSA-N -1 0 246.693 3.449 10 0 BGAERM CC(C)C[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000037653470 187253495 /nfs/dbraw/zinc/25/34/95/187253495.db2.gz RUAFOABDLVHCMI-NSHDSACASA-N -1 0 224.275 3.115 10 0 BGAERM Cc1ccccc1C[C@@H](CC(C)C)C(=O)[O-] ZINC000037653697 179290166 /nfs/dbraw/zinc/29/01/66/179290166.db2.gz AJLBUGXSCPQOHQ-CYBMUJFWSA-N -1 0 220.312 3.284 10 0 BGAERM Cc1ccccc1C[C@H](CC(C)C)C(=O)[O-] ZINC000037653699 179291923 /nfs/dbraw/zinc/29/19/23/179291923.db2.gz AJLBUGXSCPQOHQ-ZDUSSCGKSA-N -1 0 220.312 3.284 10 0 BGAERM Cc1ccccc1SCCCCC(=O)[O-] ZINC000037665496 350286277 /nfs/dbraw/zinc/28/62/77/350286277.db2.gz LPLANQLJDKHCRH-UHFFFAOYSA-N -1 0 224.325 3.342 10 0 BGAERM CC(C)Sc1cc(C(=O)[O-])c2ccccc2n1 ZINC000037684885 167335203 /nfs/dbraw/zinc/33/52/03/167335203.db2.gz RQVNYMMZXXFFLY-UHFFFAOYSA-N -1 0 247.319 3.434 10 0 BGAERM Cc1cccc(C(=O)[O-])c1OCc1cccs1 ZINC000037729672 179025667 /nfs/dbraw/zinc/02/56/67/179025667.db2.gz QHYCENRZUYWGEV-UHFFFAOYSA-N -1 0 248.303 3.334 10 0 BGAERM Cc1cccc(C(=O)[O-])c1OCc1ccsc1 ZINC000037729840 179025814 /nfs/dbraw/zinc/02/58/14/179025814.db2.gz CAGVUBZYCAPNLR-UHFFFAOYSA-N -1 0 248.303 3.334 10 0 BGAERM CC(C)Oc1ccc(-c2c[nH]cc2C(=O)[O-])cc1 ZINC000037742915 167288550 /nfs/dbraw/zinc/28/85/50/167288550.db2.gz XICSJXWGKHGLKK-UHFFFAOYSA-N -1 0 245.278 3.167 10 0 BGAERM CC[C@H]1CCCN1c1ccccc1/C=C/C(=O)[O-] ZINC000037914780 171622412 /nfs/dbraw/zinc/62/24/12/171622412.db2.gz CYXVPEZKBWMAQA-LXKVQUBZSA-N -1 0 245.322 3.163 10 0 BGAERM Cc1cccc(Nc2ccc(N)c(C(=O)[O-])c2)c1 ZINC000037930665 179158756 /nfs/dbraw/zinc/15/87/56/179158756.db2.gz SGAHRRQKFAEAEX-UHFFFAOYSA-N -1 0 242.278 3.019 10 0 BGAERM Cc1ccccc1Nc1ccc(N)c(C(=O)[O-])c1 ZINC000037930684 179308492 /nfs/dbraw/zinc/30/84/92/179308492.db2.gz IGCWMRXOKYKANG-UHFFFAOYSA-N -1 0 242.278 3.019 10 0 BGAERM Nc1cc(C(=O)[O-])ccc1NC1CCCCCC1 ZINC000037930802 181679239 /nfs/dbraw/zinc/67/92/39/181679239.db2.gz PULYSAKLJIQGCK-UHFFFAOYSA-N -1 0 248.326 3.102 10 0 BGAERM Cc1cccc(Oc2ccc(C(=O)[O-])cc2N)c1 ZINC000037933397 179175755 /nfs/dbraw/zinc/17/57/55/179175755.db2.gz KHOBXWIWNCLTNZ-UHFFFAOYSA-N -1 0 243.262 3.068 10 0 BGAERM Cc1ccccc1Oc1ccc(N)cc1C(=O)[O-] ZINC000037933399 179314508 /nfs/dbraw/zinc/31/45/08/179314508.db2.gz ZKVUFAFRZRZKKD-UHFFFAOYSA-N -1 0 243.262 3.068 10 0 BGAERM Cc1ccccc1Oc1ccc(C(=O)[O-])cc1N ZINC000037933400 179313955 /nfs/dbraw/zinc/31/39/55/179313955.db2.gz ZQXWVZOOYZFALG-UHFFFAOYSA-N -1 0 243.262 3.068 10 0 BGAERM Cc1ccc(Oc2ccc(N)cc2C(=O)[O-])cc1 ZINC000037933509 178820686 /nfs/dbraw/zinc/82/06/86/178820686.db2.gz ZRMFCAPYVCKESJ-UHFFFAOYSA-N -1 0 243.262 3.068 10 0 BGAERM Nc1cc(C(=O)[O-])ccc1Sc1ccccc1 ZINC000037933701 343144987 /nfs/dbraw/zinc/14/49/87/343144987.db2.gz DNGMNSVVXGMRGH-UHFFFAOYSA-N -1 0 245.303 3.118 10 0 BGAERM CCC(CC)(C(=O)[O-])c1cc(C)ccc1OC ZINC000037934458 168312521 /nfs/dbraw/zinc/31/25/21/168312521.db2.gz XZDHCXOZVRSMOX-UHFFFAOYSA-N -1 0 236.311 3.146 10 0 BGAERM CCC(CC)(C(=O)[O-])c1ccc(C)c(OC)c1 ZINC000037934474 168312472 /nfs/dbraw/zinc/31/24/72/168312472.db2.gz OFAONUKKUIQWSO-UHFFFAOYSA-N -1 0 236.311 3.146 10 0 BGAERM CCC(CC)(C(=O)[O-])c1ccc(C)cc1 ZINC000037934492 350291848 /nfs/dbraw/zinc/29/18/48/350291848.db2.gz FFXUXGKQQHHOMA-UHFFFAOYSA-N -1 0 206.285 3.137 10 0 BGAERM CCC[C@](C)(Nc1ccc(C)cc1)C(=O)[O-] ZINC000037953090 169550153 /nfs/dbraw/zinc/55/01/53/169550153.db2.gz UNUIGXQOGPGSGK-ZDUSSCGKSA-N -1 0 221.300 3.050 10 0 BGAERM CCC(CC)(Nc1ccc(C)cc1)C(=O)[O-] ZINC000037953193 168332165 /nfs/dbraw/zinc/33/21/65/168332165.db2.gz LZJFWVYLCRABSN-UHFFFAOYSA-N -1 0 221.300 3.050 10 0 BGAERM Cc1ccc(N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000037953241 178769328 /nfs/dbraw/zinc/76/93/28/178769328.db2.gz IXCLUQUYSLYDLY-CQSZACIVSA-N -1 0 247.338 3.440 10 0 BGAERM C[C@@H]1CCCC[C@]1(Nc1ccccc1)C(=O)[O-] ZINC000037953624 176091151 /nfs/dbraw/zinc/09/11/51/176091151.db2.gz SEPKRWZQGRCSPB-BXUZGUMPSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@H]1CCCC[C@]1(Nc1ccccc1)C(=O)[O-] ZINC000037953625 177090556 /nfs/dbraw/zinc/09/05/56/177090556.db2.gz SEPKRWZQGRCSPB-SMDDNHRTSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@@H]1CCCC[C@@]1(Nc1ccccc1)C(=O)[O-] ZINC000037953626 176083279 /nfs/dbraw/zinc/08/32/79/176083279.db2.gz SEPKRWZQGRCSPB-RISCZKNCSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@H]1CCCC[C@@]1(Nc1ccccc1)C(=O)[O-] ZINC000037953627 177084985 /nfs/dbraw/zinc/08/49/85/177084985.db2.gz SEPKRWZQGRCSPB-FZMZJTMJSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@@H]1CCC[C@](Nc2ccccc2)(C(=O)[O-])C1 ZINC000037953632 176152108 /nfs/dbraw/zinc/15/21/08/176152108.db2.gz AKBWMPIDRKEIHC-BXUZGUMPSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@H]1CCC[C@](Nc2ccccc2)(C(=O)[O-])C1 ZINC000037953633 177143452 /nfs/dbraw/zinc/14/34/52/177143452.db2.gz AKBWMPIDRKEIHC-SMDDNHRTSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@@H]1CCC[C@@](Nc2ccccc2)(C(=O)[O-])C1 ZINC000037953634 176134128 /nfs/dbraw/zinc/13/41/28/176134128.db2.gz AKBWMPIDRKEIHC-RISCZKNCSA-N -1 0 233.311 3.132 10 0 BGAERM C[C@H]1CCC[C@@](Nc2ccccc2)(C(=O)[O-])C1 ZINC000037953635 177127492 /nfs/dbraw/zinc/12/74/92/177127492.db2.gz AKBWMPIDRKEIHC-FZMZJTMJSA-N -1 0 233.311 3.132 10 0 BGAERM O=C([O-])C1(Nc2ccccc2)CCCCCC1 ZINC000037953670 182423619 /nfs/dbraw/zinc/42/36/19/182423619.db2.gz DYWOOROFVNASKM-UHFFFAOYSA-N -1 0 233.311 3.276 10 0 BGAERM Cc1ccccc1[C@H](Nc1ccccc1)C(=O)[O-] ZINC000037953812 179345631 /nfs/dbraw/zinc/34/56/31/179345631.db2.gz IEKBNHFCLOXODA-AWEZNQCLSA-N -1 0 241.290 3.233 10 0 BGAERM Cc1ccccc1[C@@H](Nc1ccccc1)C(=O)[O-] ZINC000037953813 179326565 /nfs/dbraw/zinc/32/65/65/179326565.db2.gz IEKBNHFCLOXODA-CQSZACIVSA-N -1 0 241.290 3.233 10 0 BGAERM Cc1ccccc1N[C@H](C(=O)[O-])c1ccsc1 ZINC000037954490 179306591 /nfs/dbraw/zinc/30/65/91/179306591.db2.gz ORIGPYUPBCWFGX-LBPRGKRZSA-N -1 0 247.319 3.294 10 0 BGAERM Cc1ccccc1N[C@@H](C(=O)[O-])c1ccsc1 ZINC000037954491 179305535 /nfs/dbraw/zinc/30/55/35/179305535.db2.gz ORIGPYUPBCWFGX-GFCCVEGCSA-N -1 0 247.319 3.294 10 0 BGAERM Cc1ccccc1N[C@H](C(=O)[O-])C1CCCCC1 ZINC000037954504 179307368 /nfs/dbraw/zinc/30/73/68/179307368.db2.gz BXEDGKGYNCWNBN-AWEZNQCLSA-N -1 0 247.338 3.440 10 0 BGAERM Cc1ccccc1N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000037954505 179306108 /nfs/dbraw/zinc/30/61/08/179306108.db2.gz BXEDGKGYNCWNBN-CQSZACIVSA-N -1 0 247.338 3.440 10 0 BGAERM Cc1ccccc1N[C@H](C(=O)[O-])[C@H]1CC=CCC1 ZINC000037954577 179307075 /nfs/dbraw/zinc/30/70/75/179307075.db2.gz CLDHODDGUMYKBH-JSGCOSHPSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1ccccc1N[C@@H](C(=O)[O-])[C@H]1CC=CCC1 ZINC000037954578 179306196 /nfs/dbraw/zinc/30/61/96/179306196.db2.gz CLDHODDGUMYKBH-GXTWGEPZSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1ccccc1N[C@H](C(=O)[O-])[C@@H]1CC=CCC1 ZINC000037954579 179306859 /nfs/dbraw/zinc/30/68/59/179306859.db2.gz CLDHODDGUMYKBH-OCCSQVGLSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1ccccc1N[C@@H](C(=O)[O-])[C@@H]1CC=CCC1 ZINC000037954580 179305504 /nfs/dbraw/zinc/30/55/04/179305504.db2.gz CLDHODDGUMYKBH-TZMCWYRMSA-N -1 0 245.322 3.216 10 0 BGAERM CC[C@@](C)(Nc1cccc(Cl)c1)C(=O)[O-] ZINC000037955342 171177698 /nfs/dbraw/zinc/17/76/98/171177698.db2.gz HFWNGSFVQXDAMU-LLVKDONJSA-N -1 0 227.691 3.005 10 0 BGAERM CC(C)C[C@H](Nc1cccc(Cl)c1)C(=O)[O-] ZINC000037955508 187419749 /nfs/dbraw/zinc/41/97/49/187419749.db2.gz FMJXXYDLGLKYIY-NSHDSACASA-N -1 0 241.718 3.251 10 0 BGAERM CC(C)C[C@@H](Nc1cccc(Cl)c1)C(=O)[O-] ZINC000037955509 187937041 /nfs/dbraw/zinc/93/70/41/187937041.db2.gz FMJXXYDLGLKYIY-LLVKDONJSA-N -1 0 241.718 3.251 10 0 BGAERM CCC[C@](C)(Nc1cccc(C)c1)C(=O)[O-] ZINC000037957810 169549867 /nfs/dbraw/zinc/54/98/67/169549867.db2.gz VWQGQGKEGXVUMJ-ZDUSSCGKSA-N -1 0 221.300 3.050 10 0 BGAERM Cc1cccc(N[C@@](C)(CC(C)C)C(=O)[O-])c1 ZINC000037957862 179156524 /nfs/dbraw/zinc/15/65/24/179156524.db2.gz UOOKVYIHQNMLEY-AWEZNQCLSA-N -1 0 235.327 3.296 10 0 BGAERM Cc1cccc(N[C@](C)(CC(C)C)C(=O)[O-])c1 ZINC000037957863 179159097 /nfs/dbraw/zinc/15/90/97/179159097.db2.gz UOOKVYIHQNMLEY-CQSZACIVSA-N -1 0 235.327 3.296 10 0 BGAERM CCCCC[C@H](Nc1cccc(C)c1)C(=O)[O-] ZINC000037957933 168745137 /nfs/dbraw/zinc/74/51/37/168745137.db2.gz ALECOOJBTZWLPQ-ZDUSSCGKSA-N -1 0 235.327 3.440 10 0 BGAERM Cc1cccc(N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000037957948 179156698 /nfs/dbraw/zinc/15/66/98/179156698.db2.gz YJNLGMWZOLECPH-LBPRGKRZSA-N -1 0 247.319 3.294 10 0 BGAERM Cc1cccc(N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000037957949 179153868 /nfs/dbraw/zinc/15/38/68/179153868.db2.gz YJNLGMWZOLECPH-GFCCVEGCSA-N -1 0 247.319 3.294 10 0 BGAERM Cc1cccc(N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000037957962 179156128 /nfs/dbraw/zinc/15/61/28/179156128.db2.gz IDLZZJGLRGCFTB-AWEZNQCLSA-N -1 0 247.338 3.440 10 0 BGAERM Cc1cccc(N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000037957963 179152356 /nfs/dbraw/zinc/15/23/56/179152356.db2.gz IDLZZJGLRGCFTB-CQSZACIVSA-N -1 0 247.338 3.440 10 0 BGAERM Cc1cccc(N[C@H](C(=O)[O-])[C@H]2CC=CCC2)c1 ZINC000037958031 179156737 /nfs/dbraw/zinc/15/67/37/179156737.db2.gz UYKKAYTWSLRORJ-JSGCOSHPSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1cccc(N[C@@H](C(=O)[O-])[C@H]2CC=CCC2)c1 ZINC000037958032 179152413 /nfs/dbraw/zinc/15/24/13/179152413.db2.gz UYKKAYTWSLRORJ-GXTWGEPZSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1cccc(N[C@H](C(=O)[O-])[C@@H]2CC=CCC2)c1 ZINC000037958033 179156764 /nfs/dbraw/zinc/15/67/64/179156764.db2.gz UYKKAYTWSLRORJ-OCCSQVGLSA-N -1 0 245.322 3.216 10 0 BGAERM Cc1cccc(N[C@@H](C(=O)[O-])[C@@H]2CC=CCC2)c1 ZINC000037958034 179151639 /nfs/dbraw/zinc/15/16/39/179151639.db2.gz UYKKAYTWSLRORJ-TZMCWYRMSA-N -1 0 245.322 3.216 10 0 BGAERM O=C([O-])[C@@H](Nc1cccc(F)c1)[C@H]1CC=CCC1 ZINC000037961926 182502097 /nfs/dbraw/zinc/50/20/97/182502097.db2.gz SUNZSXZYHWARBO-GWCFXTLKSA-N -1 0 249.285 3.047 10 0 BGAERM O=C([O-])[C@H](Nc1cccc(F)c1)[C@H]1CC=CCC1 ZINC000037961927 182527693 /nfs/dbraw/zinc/52/76/93/182527693.db2.gz SUNZSXZYHWARBO-GXFFZTMASA-N -1 0 249.285 3.047 10 0 BGAERM CC[C@](C)(Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000037962230 171699915 /nfs/dbraw/zinc/69/99/15/171699915.db2.gz AMOOPLNSBCIZOH-NSHDSACASA-N -1 0 227.691 3.005 10 0 BGAERM CC[C@@](C)(Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000037962231 171175780 /nfs/dbraw/zinc/17/57/80/171175780.db2.gz AMOOPLNSBCIZOH-LLVKDONJSA-N -1 0 227.691 3.005 10 0 BGAERM CCC(CC)(Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000037962324 168332172 /nfs/dbraw/zinc/33/21/72/168332172.db2.gz ZMVABPYHHOJKBN-UHFFFAOYSA-N -1 0 241.718 3.395 10 0 BGAERM CCCCC[C@H](Nc1ccccc1F)C(=O)[O-] ZINC000037962805 168745106 /nfs/dbraw/zinc/74/51/06/168745106.db2.gz HBPJFRGWHGGXIU-LBPRGKRZSA-N -1 0 239.290 3.271 10 0 BGAERM Cc1cc(C)c(C(=O)[O-])c(SCC(C)C)n1 ZINC000037977988 177849363 /nfs/dbraw/zinc/84/93/63/177849363.db2.gz GWWDIPYXFFFUDD-UHFFFAOYSA-N -1 0 239.340 3.145 10 0 BGAERM CC[C@@H](C)Sc1nc(C)cc(C)c1C(=O)[O-] ZINC000037978249 170767630 /nfs/dbraw/zinc/76/76/30/170767630.db2.gz IORDHDXPFHSQHI-SECBINFHSA-N -1 0 239.340 3.287 10 0 BGAERM CC[C@H](C)Sc1nc(C)cc(C)c1C(=O)[O-] ZINC000037978250 171356939 /nfs/dbraw/zinc/35/69/39/171356939.db2.gz IORDHDXPFHSQHI-VIFPVBQESA-N -1 0 239.340 3.287 10 0 BGAERM Cc1ccc(C)n1[C@H](C(=O)[O-])C1CCCCC1 ZINC000038037194 178510342 /nfs/dbraw/zinc/51/03/42/178510342.db2.gz DCISAIDIAGVONB-ZDUSSCGKSA-N -1 0 235.327 3.311 10 0 BGAERM CSCc1cc(Cl)cc(C(C)=O)c1O ZINC000038064016 343368284 /nfs/dbraw/zinc/36/82/84/343368284.db2.gz XWVBKIORHQEVDC-UHFFFAOYSA-N -1 0 230.716 3.111 10 0 BGAERM Cc1ccc(-c2cc(F)ccc2C(=O)[O-])cc1 ZINC000038068114 178321643 /nfs/dbraw/zinc/32/16/43/178321643.db2.gz XIPLQNIWOWBSOM-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM COc1ccccc1-c1cc(F)ccc1C(=O)[O-] ZINC000038068145 175309344 /nfs/dbraw/zinc/30/93/44/175309344.db2.gz HXECEHBTLUBGIO-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM COc1ccccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC000038068146 175309014 /nfs/dbraw/zinc/30/90/14/175309014.db2.gz NWEJVOAMFCGCSS-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM COc1ccccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC000038068147 175309327 /nfs/dbraw/zinc/30/93/27/175309327.db2.gz UHROEDFMTLAQAI-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM Cc1ccccc1-c1cc(F)ccc1C(=O)[O-] ZINC000038068155 179235296 /nfs/dbraw/zinc/23/52/96/179235296.db2.gz HBESULREYWENRE-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM Cc1ccccc1-c1ccc(F)cc1C(=O)[O-] ZINC000038068156 179235481 /nfs/dbraw/zinc/23/54/81/179235481.db2.gz WBVDJHZTJSGOOE-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM Cc1ccc(F)cc1-c1cccc(C(=O)[O-])c1 ZINC000038068164 178680725 /nfs/dbraw/zinc/68/07/25/178680725.db2.gz UOBJDHCBGWCIJP-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM COc1ccc(-c2cc(F)ccc2C(=O)[O-])cc1 ZINC000038068173 175031300 /nfs/dbraw/zinc/03/13/00/175031300.db2.gz WWTVKYNSVAXFQF-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM Cc1cc(F)ccc1-c1ccccc1C(=O)[O-] ZINC000038068188 178080841 /nfs/dbraw/zinc/08/08/41/178080841.db2.gz JRKRUMUSNMJYCW-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM COc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 ZINC000038068218 175233616 /nfs/dbraw/zinc/23/36/16/175233616.db2.gz NUWLULBWCLHGNB-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM Cc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 ZINC000038068221 178992353 /nfs/dbraw/zinc/99/23/53/178992353.db2.gz XSOXOKBAOWOCHK-UHFFFAOYSA-N -1 0 230.238 3.499 10 0 BGAERM O=C([O-])c1cc(F)ccc1-c1cccc(F)c1 ZINC000038068226 182556685 /nfs/dbraw/zinc/55/66/85/182556685.db2.gz RPZHPQYMSZPIAW-UHFFFAOYSA-N -1 0 234.201 3.330 10 0 BGAERM COc1ccc(-c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000038068233 175032843 /nfs/dbraw/zinc/03/28/43/175032843.db2.gz TWWOEXVZOBUJTL-UHFFFAOYSA-N -1 0 242.274 3.369 10 0 BGAERM COc1ccc(-c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000038068243 175033094 /nfs/dbraw/zinc/03/30/94/175033094.db2.gz UKLVWYMXGFTUOT-UHFFFAOYSA-N -1 0 246.237 3.200 10 0 BGAERM COc1ccc(-c2cccc(C)c2)c(C(=O)[O-])c1 ZINC000038068254 175034251 /nfs/dbraw/zinc/03/42/51/175034251.db2.gz DCRIFAWDSXKUJE-UHFFFAOYSA-N -1 0 242.274 3.369 10 0 BGAERM COc1ccc(-c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000038068255 175034913 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/nfs/dbraw/zinc/30/21/85/188302185.db2.gz PKCOUFCALPKNEL-JTQLQIEISA-N -1 0 226.703 3.239 10 0 BGAERM S=c1[n-]nc(C2CCC2)n1-c1ccccc1 ZINC000040539332 183314836 /nfs/dbraw/zinc/31/48/36/183314836.db2.gz NBBHESLIUPXOOS-UHFFFAOYSA-N -1 0 231.324 3.197 10 0 BGAERM CCCCn1c(C(=O)[O-])cc2sccc21 ZINC000040541681 169032636 /nfs/dbraw/zinc/03/26/36/169032636.db2.gz XGFBPFNGRMLJHE-UHFFFAOYSA-N -1 0 223.297 3.201 10 0 BGAERM CC(C)(C)c1oc2ccc(O)cc2c1C(=O)[O-] ZINC000040541883 187231376 /nfs/dbraw/zinc/23/13/76/187231376.db2.gz YQSBSBIRFNCXFH-UHFFFAOYSA-N -1 0 234.251 3.134 10 0 BGAERM CCCCCSc1nc(CC(=O)[O-])cs1 ZINC000040541910 373460641 /nfs/dbraw/zinc/46/06/41/373460641.db2.gz LLGQQUJGPLBIRN-UHFFFAOYSA-N -1 0 245.369 3.053 10 0 BGAERM Nc1ccc([C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000040544541 358238901 /nfs/dbraw/zinc/23/89/01/358238901.db2.gz KGIWRNSLKYOTEJ-CYBMUJFWSA-N -1 0 233.311 3.017 10 0 BGAERM Nc1ccc([C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000040544543 181725470 /nfs/dbraw/zinc/72/54/70/181725470.db2.gz KGIWRNSLKYOTEJ-ZDUSSCGKSA-N -1 0 233.311 3.017 10 0 BGAERM C/C(=C\c1cc(Cl)cc(Cl)c1[O-])CO ZINC000040546044 342974921 /nfs/dbraw/zinc/97/49/21/342974921.db2.gz YWFKLVDHYDXPBV-QHHAFSJGSA-N -1 0 233.094 3.095 10 0 BGAERM Cc1cccc(SCCCCC(=O)[O-])c1 ZINC000040695614 359810755 /nfs/dbraw/zinc/81/07/55/359810755.db2.gz OLFQJFHSWRWBRO-UHFFFAOYSA-N -1 0 224.325 3.342 10 0 BGAERM Cc1cccc(Sc2ncccc2C(=O)[O-])c1 ZINC000040695738 179177012 /nfs/dbraw/zinc/17/70/12/179177012.db2.gz QRPFDWMTBQSPHV-UHFFFAOYSA-N -1 0 245.303 3.239 10 0 BGAERM Cc1nn(C2CCCCC2)c(Cl)c1C(=O)[O-] ZINC000041043655 180384737 /nfs/dbraw/zinc/38/47/37/180384737.db2.gz QWWXCAOBKFEQQT-UHFFFAOYSA-N -1 0 242.706 3.048 10 0 BGAERM Cc1cc(C(=O)[O-])sc1-c1cccs1 ZINC000041062138 358242107 /nfs/dbraw/zinc/24/21/07/358242107.db2.gz SHWSBFMGWQSHRY-UHFFFAOYSA-N -1 0 224.306 3.483 10 0 BGAERM CCOc1ccc(-c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000041166401 374116165 /nfs/dbraw/zinc/11/61/65/374116165.db2.gz WVYSNLXXEBYKKW-UHFFFAOYSA-N -1 0 246.262 3.352 10 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ZINC000041214763 179053693 /nfs/dbraw/zinc/05/36/93/179053693.db2.gz WQNWFXYQDSMGNN-UHFFFAOYSA-N -1 0 206.285 3.183 10 0 BGAERM Cc1ccc(C(C)(C)CC(=O)[O-])c(C)c1 ZINC000041214851 388273316 /nfs/dbraw/zinc/27/33/16/388273316.db2.gz FQKOGNCACUYRGS-UHFFFAOYSA-N -1 0 206.285 3.056 10 0 BGAERM Cc1ccc([C@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000041214853 636977977 /nfs/dbraw/zinc/97/79/77/636977977.db2.gz FTMMGVDWHWMUEP-GFCCVEGCSA-N -1 0 206.285 3.128 10 0 BGAERM Cc1ccc([C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000041214855 636976520 /nfs/dbraw/zinc/97/65/20/636976520.db2.gz FTMMGVDWHWMUEP-LBPRGKRZSA-N -1 0 206.285 3.128 10 0 BGAERM CCC[C@H](C(=O)[O-])c1cc(C)ccc1C ZINC000041214903 361463898 /nfs/dbraw/zinc/46/38/98/361463898.db2.gz YJJGWALLAUJRNW-NSHDSACASA-N -1 0 206.285 3.272 10 0 BGAERM CCC[C@@H](C(=O)[O-])c1cc(C)ccc1C ZINC000041214905 361463859 /nfs/dbraw/zinc/46/38/59/361463859.db2.gz YJJGWALLAUJRNW-LLVKDONJSA-N -1 0 206.285 3.272 10 0 BGAERM Cc1cc(C)cc([C@H](C(=O)[O-])C(C)C)c1 ZINC000041214986 177917698 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222.259 3.013 10 0 BGAERM CCC[C@@H](C(=O)[O-])c1ccc(OCC)cc1 ZINC000041240034 169346261 /nfs/dbraw/zinc/34/62/61/169346261.db2.gz YCOXGLZXJHUGSP-GFCCVEGCSA-N -1 0 222.284 3.054 10 0 BGAERM CC[C@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000041240037 171238568 /nfs/dbraw/zinc/23/85/68/171238568.db2.gz TZSVFTPMAIEABV-LBPRGKRZSA-N -1 0 222.284 3.052 10 0 BGAERM CC[C@@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000041240040 170670663 /nfs/dbraw/zinc/67/06/63/170670663.db2.gz TZSVFTPMAIEABV-GFCCVEGCSA-N -1 0 222.284 3.052 10 0 BGAERM CC(C)[C@@H](CCCc1cccs1)C(=O)[O-] ZINC000041247358 167390235 /nfs/dbraw/zinc/39/02/35/167390235.db2.gz MPJROLGUZXEECN-LLVKDONJSA-N -1 0 226.341 3.428 10 0 BGAERM O=C([O-])c1cc(-c2ccccc2)[nH]c1C1CC1 ZINC000041248098 566340056 /nfs/dbraw/zinc/34/00/56/566340056.db2.gz GXVKKHGDUHUROX-UHFFFAOYSA-N -1 0 227.263 3.257 10 0 BGAERM CCc1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000041248118 171777727 /nfs/dbraw/zinc/77/77/27/171777727.db2.gz JDUJZFJLUGSNRJ-UHFFFAOYSA-N -1 0 227.263 3.009 10 0 BGAERM 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ZINC000041248154 178328046 /nfs/dbraw/zinc/32/80/46/178328046.db2.gz RTJXRFWBNBOFDT-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1ccc(-c2cncc(C(=O)[O-])c2)c(C)c1 ZINC000041248156 178329366 /nfs/dbraw/zinc/32/93/66/178329366.db2.gz KRHGATXDSVUTJC-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1ccc(-c2cc(C(=O)[O-])ccn2)c(C)c1 ZINC000041248160 178318689 /nfs/dbraw/zinc/31/86/89/178318689.db2.gz VKBRIFJORJKDLR-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1ccc(-c2ncccc2C(=O)[O-])c(C)c1 ZINC000041248164 178338540 /nfs/dbraw/zinc/33/85/40/178338540.db2.gz ZJOQWURRSMKYBJ-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1ccc(-c2cccnc2C(=O)[O-])c(C)c1 ZINC000041248166 178327365 /nfs/dbraw/zinc/32/73/65/178327365.db2.gz QQKFXYMYQKDWDS-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1cccc(-c2ccc(C(=O)[O-])nc2)c1C ZINC000041248168 178993483 /nfs/dbraw/zinc/99/34/83/178993483.db2.gz XKFBEPXHYKHHLQ-UHFFFAOYSA-N -1 0 227.263 3.064 10 0 BGAERM Cc1[nH]c(-c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000041251196 178319031 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349086162 /nfs/dbraw/zinc/08/61/62/349086162.db2.gz MSEQVDCTBBCOKO-UHFFFAOYSA-N -1 0 242.274 3.451 10 0 BGAERM CCCOc1ccc([C@@H](CC)C(=O)[O-])cc1 ZINC000055262169 169320680 /nfs/dbraw/zinc/32/06/80/169320680.db2.gz ZZOTXPRIIPMYIM-GFCCVEGCSA-N -1 0 222.284 3.054 10 0 BGAERM CCCOc1ccc([C@H](CC)C(=O)[O-])cc1 ZINC000055262171 169322495 /nfs/dbraw/zinc/32/24/95/169322495.db2.gz ZZOTXPRIIPMYIM-LBPRGKRZSA-N -1 0 222.284 3.054 10 0 BGAERM CCCOc1ccc([C@H](C(=O)[O-])C(C)C)cc1 ZINC000055262179 169321389 /nfs/dbraw/zinc/32/13/89/169321389.db2.gz KYSOOQIIQVFDFO-CYBMUJFWSA-N -1 0 236.311 3.300 10 0 BGAERM CCCOc1ccc([C@@H](C(=O)[O-])C(C)C)cc1 ZINC000055262181 169321202 /nfs/dbraw/zinc/32/12/02/169321202.db2.gz KYSOOQIIQVFDFO-ZDUSSCGKSA-N -1 0 236.311 3.300 10 0 BGAERM O=C([O-])c1cscc1-c1cccs1 ZINC000057496237 371850464 /nfs/dbraw/zinc/85/04/64/371850464.db2.gz JWMXCCOQTCEAGR-UHFFFAOYSA-N -1 0 210.279 3.175 10 0 BGAERM CC(C)Cc1ccc([C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000057499281 541516589 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/nfs/dbraw/zinc/18/72/51/175187251.db2.gz UKDGEHCBSMRAQV-SNVBAGLBSA-N -1 0 222.284 3.054 10 0 BGAERM COc1ccccc1[C@@H](C)CCCC(=O)[O-] ZINC000071524319 175345072 /nfs/dbraw/zinc/34/50/72/175345072.db2.gz ZBQVQHXRSMJYSK-JTQLQIEISA-N -1 0 222.284 3.054 10 0 BGAERM COc1ccccc1[C@H](C)CCCC(=O)[O-] ZINC000071524320 175350847 /nfs/dbraw/zinc/35/08/47/175350847.db2.gz ZBQVQHXRSMJYSK-SNVBAGLBSA-N -1 0 222.284 3.054 10 0 BGAERM CCCCOc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000071524333 385917973 /nfs/dbraw/zinc/91/79/73/385917973.db2.gz JDOISYLQFNWIBJ-SNVBAGLBSA-N -1 0 222.284 3.054 10 0 BGAERM CCCCOc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000071524334 385918115 /nfs/dbraw/zinc/91/81/15/385918115.db2.gz JDOISYLQFNWIBJ-JTQLQIEISA-N -1 0 222.284 3.054 10 0 BGAERM C[C@H](C(=O)[O-])c1ccc(OC(C)(C)C)cc1 ZINC000071524340 385917438 /nfs/dbraw/zinc/91/74/38/385917438.db2.gz LZRVNUFBGTXTEE-VIFPVBQESA-N -1 0 222.284 3.052 10 0 BGAERM CC(C)[C@@H](CCCC(=O)[O-])c1ccn(C)c1 ZINC000071531212 167390224 /nfs/dbraw/zinc/39/02/24/167390224.db2.gz PZPJHWIJMJDZMZ-GFCCVEGCSA-N -1 0 223.316 3.020 10 0 BGAERM Cc1sc(-c2ccccc2C)nc1C(=O)[O-] ZINC000071536846 179237199 /nfs/dbraw/zinc/23/71/99/179237199.db2.gz MTYQGCJHRBBEBK-UHFFFAOYSA-N -1 0 233.292 3.125 10 0 BGAERM Cc1sc(-c2cccc(C)c2)nc1C(=O)[O-] ZINC000071536848 384966009 /nfs/dbraw/zinc/96/60/09/384966009.db2.gz BRCDIHVTPKLIQZ-UHFFFAOYSA-N -1 0 233.292 3.125 10 0 BGAERM COc1ccc(/C(C)=C/CCCC(=O)[O-])cc1 ZINC000071543771 175045699 /nfs/dbraw/zinc/04/56/99/175045699.db2.gz GIPWNPYGPBNKGR-VZUCSPMQSA-N -1 0 234.295 3.353 10 0 BGAERM COc1ccc(/C=C/CCCC(=O)[O-])cc1C ZINC000071543778 175047652 /nfs/dbraw/zinc/04/76/52/175047652.db2.gz MEVSCKPITFCZGB-GQCTYLIASA-N -1 0 234.295 3.272 10 0 BGAERM COc1ccc(C)cc1/C=C/CCCC(=O)[O-] ZINC000071543781 175072834 /nfs/dbraw/zinc/07/28/34/175072834.db2.gz DOPMQMVXKQKZLO-GQCTYLIASA-N -1 0 234.295 3.272 10 0 BGAERM COc1ccccc1/C(C)=C/CCCC(=O)[O-] ZINC000071543782 175314421 /nfs/dbraw/zinc/31/44/21/175314421.db2.gz NREHHULQHCOGSG-YRNVUSSQSA-N -1 0 234.295 3.353 10 0 BGAERM COc1cccc(/C(C)=C/CCCC(=O)[O-])c1 ZINC000071543788 175239948 /nfs/dbraw/zinc/23/99/48/175239948.db2.gz GYIXALFBBWGXBF-IZZDOVSWSA-N -1 0 234.295 3.353 10 0 BGAERM CC(C)COc1ccc(/C=C/CC(=O)[O-])cc1 ZINC000071543817 187441997 /nfs/dbraw/zinc/44/19/97/187441997.db2.gz YQZRBOINMPIBAS-ONEGZZNKSA-N -1 0 234.295 3.209 10 0 BGAERM CC(C)/C(=C\CCCC(=O)[O-])c1ccn(C)c1 ZINC000071546081 188306393 /nfs/dbraw/zinc/30/63/93/188306393.db2.gz VKCSHZWQXPXIAQ-AWNIVKPZSA-N -1 0 235.327 3.319 10 0 BGAERM COc1ccc([C@@H](C)CCCC(=O)[O-])cc1C ZINC000071547135 175176156 /nfs/dbraw/zinc/17/61/56/175176156.db2.gz RVJJVTSHUGGHAH-JTQLQIEISA-N -1 0 236.311 3.362 10 0 BGAERM COc1ccc([C@H](C)CCCC(=O)[O-])cc1C ZINC000071547136 175187659 /nfs/dbraw/zinc/18/76/59/175187659.db2.gz RVJJVTSHUGGHAH-SNVBAGLBSA-N -1 0 236.311 3.362 10 0 BGAERM COc1ccc(C)cc1[C@@H](C)CCCC(=O)[O-] ZINC000071547137 175078961 /nfs/dbraw/zinc/07/89/61/175078961.db2.gz RVEYJMCTVACLRR-NSHDSACASA-N 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COc1ccc([C@@H](C)CCCC(=O)[O-])cc1F ZINC000071550068 175175885 /nfs/dbraw/zinc/17/58/85/175175885.db2.gz WAJKUTIQCSYXKX-VIFPVBQESA-N -1 0 240.274 3.193 10 0 BGAERM COc1ccc([C@H](C)CCCC(=O)[O-])cc1F ZINC000071550069 175187259 /nfs/dbraw/zinc/18/72/59/175187259.db2.gz WAJKUTIQCSYXKX-SECBINFHSA-N -1 0 240.274 3.193 10 0 BGAERM COc1ccc(F)cc1[C@@H](C)CCCC(=O)[O-] ZINC000071550070 175132459 /nfs/dbraw/zinc/13/24/59/175132459.db2.gz UEVDZLSDIIQVSJ-VIFPVBQESA-N -1 0 240.274 3.193 10 0 BGAERM COc1ccc(F)cc1[C@H](C)CCCC(=O)[O-] ZINC000071550071 175133196 /nfs/dbraw/zinc/13/31/96/175133196.db2.gz UEVDZLSDIIQVSJ-SECBINFHSA-N -1 0 240.274 3.193 10 0 BGAERM CC(C)Oc1ccc(CCCC(=O)[O-])cc1F ZINC000071550076 167293080 /nfs/dbraw/zinc/29/30/80/167293080.db2.gz QSGKJMVBKQULHC-UHFFFAOYSA-N -1 0 240.274 3.020 10 0 BGAERM Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)cc1C ZINC000071551356 178325920 /nfs/dbraw/zinc/32/59/20/178325920.db2.gz IIYUVAOPMDMXIM-UHFFFAOYSA-N -1 0 242.274 3.374 10 0 BGAERM Cc1cc(C)c(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C ZINC000071558975 177851069 /nfs/dbraw/zinc/85/10/69/177851069.db2.gz FLAPIRAFFQXPIH-UHFFFAOYSA-N -1 0 244.294 3.009 10 0 BGAERM O=C([O-])c1cc(F)ccc1NCc1ccccc1 ZINC000071559620 362009709 /nfs/dbraw/zinc/00/97/09/362009709.db2.gz NKKDUMMHJRONQD-UHFFFAOYSA-N -1 0 245.253 3.136 10 0 BGAERM CC(C)Cc1ccc(-c2oncc2C(=O)[O-])cc1 ZINC000071559651 187276038 /nfs/dbraw/zinc/27/60/38/187276038.db2.gz ZBIHNXVBLDCMSA-UHFFFAOYSA-N -1 0 245.278 3.238 10 0 BGAERM CCCOc1ccc(/C(=C/C(=O)[O-])C2CC2)cc1 ZINC000071560637 169316392 /nfs/dbraw/zinc/31/63/92/169316392.db2.gz KAEAZCRFKGODRC-GXDHUFHOSA-N -1 0 246.306 3.353 10 0 BGAERM Cc1sc(Cc2ccccc2C)nc1C(=O)[O-] ZINC000071561731 179293246 /nfs/dbraw/zinc/29/32/46/179293246.db2.gz MZEONOHTAFAGQX-UHFFFAOYSA-N -1 0 247.319 3.049 10 0 BGAERM Cc1sc(Cc2cccc(C)c2)nc1C(=O)[O-] ZINC000071561732 187787170 /nfs/dbraw/zinc/78/71/70/187787170.db2.gz HPOPHLWZKXXPDK-UHFFFAOYSA-N -1 0 247.319 3.049 10 0 BGAERM 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[O-]C(=S)Cc1cccc(C(F)(F)F)c1 ZINC000071614700 384172963 /nfs/dbraw/zinc/17/29/63/384172963.db2.gz GKRSKRQCBPDZHF-UHFFFAOYSA-N -1 0 220.215 3.133 10 0 BGAERM CCC(CC)(c1ccc(C)cc1)[P@@](=O)([O-])O ZINC000071615113 168332490 /nfs/dbraw/zinc/33/24/90/168332490.db2.gz ZNAMLURJXIXJTK-UHFFFAOYSA-N -1 0 242.255 3.188 10 0 BGAERM C[C@@H](CNc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000071716193 388445441 /nfs/dbraw/zinc/44/54/41/388445441.db2.gz XGTGAEAUOWKIOK-LURJTMIESA-N -1 0 248.109 3.126 10 0 BGAERM C[C@H](CNc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000071716194 388445284 /nfs/dbraw/zinc/44/52/84/388445284.db2.gz XGTGAEAUOWKIOK-ZCFIWIBFSA-N -1 0 248.109 3.126 10 0 BGAERM O=C([O-])c1ccccc1-c1cc(Cl)ccc1O ZINC000071791835 384180677 /nfs/dbraw/zinc/18/06/77/384180677.db2.gz OLXBNCSAXBFKHO-UHFFFAOYSA-N -1 0 248.665 3.411 10 0 BGAERM O=c1cc(-c2ccccc2C(F)(F)F)[n-]o1 ZINC000071976583 183256827 /nfs/dbraw/zinc/25/68/27/183256827.db2.gz DVEHOFXIBCKHCF-UHFFFAOYSA-N -1 0 229.157 3.066 10 0 BGAERM 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3.051 10 0 BGAERM CC[C@H](C(=O)[O-])c1ccc(Cl)cc1F ZINC000087264388 640867009 /nfs/dbraw/zinc/86/70/09/640867009.db2.gz IETRVIDDTRQRQR-ZETCQYMHSA-N -1 0 216.639 3.057 10 0 BGAERM CC[C@@H](C(=O)[O-])c1ccc(Cl)cc1F ZINC000087264391 640867063 /nfs/dbraw/zinc/86/70/63/640867063.db2.gz IETRVIDDTRQRQR-SSDOTTSWSA-N -1 0 216.639 3.057 10 0 BGAERM CCCCCC(=O)C=C([O-])c1ccoc1 ZINC000087290626 538566979 /nfs/dbraw/zinc/56/69/79/538566979.db2.gz MGMGWBBAZPZUHA-UHFFFAOYSA-N -1 0 208.257 3.002 10 0 BGAERM CC[C@H](C(=O)[O-])c1sccc1Br ZINC000087570976 171238302 /nfs/dbraw/zinc/23/83/02/171238302.db2.gz ITTDEIYMQMTJRK-YFKPBYRVSA-N -1 0 249.129 3.089 10 0 BGAERM CC[C@@H](C(=O)[O-])c1sccc1Br ZINC000087570978 644498636 /nfs/dbraw/zinc/49/86/36/644498636.db2.gz ITTDEIYMQMTJRK-RXMQYKEDSA-N -1 0 249.129 3.089 10 0 BGAERM C[C@@H](CC(=O)[O-])c1sccc1Br ZINC000087925288 518176878 /nfs/dbraw/zinc/17/68/78/518176878.db2.gz SCEVGFZESAJICS-YFKPBYRVSA-N -1 0 249.129 3.089 10 0 BGAERM 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