smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl ZINC000000001655 169502892 /nfs/dbraw/zinc/50/28/92/169502892.db2.gz SBDNJUWAMKYJOX-UHFFFAOYSA-N -1 0 296.153 4.744 50 0 fda CJAARM O=C([O-])c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000000035816 169512177 /nfs/dbraw/zinc/51/21/77/169512177.db2.gz BALYMJPYABUHGF-UHFFFAOYSA-N -1 0 299.329 4.753 50 0 CJAARM O=C([O-])c1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000000044904 567817052 /nfs/dbraw/zinc/81/70/52/567817052.db2.gz LLMCWSJMTWWINZ-UHFFFAOYSA-N -1 0 299.329 4.753 50 0 CJAARM S=C([N-]C1CCCCC1)Sc1ccc(Cl)cc1 ZINC000000075403 567817694 /nfs/dbraw/zinc/81/76/94/567817694.db2.gz BSQWJLXATGUGOY-UHFFFAOYSA-N -1 0 285.865 4.639 50 0 CJAARM O=C([O-])c1cc(C(F)(F)F)ccc1Sc1ccccc1 ZINC000000085769 567817797 /nfs/dbraw/zinc/81/77/97/567817797.db2.gz QTOLCTUWRPDFOF-UHFFFAOYSA-N -1 0 298.285 4.555 50 0 CJAARM CC(C)c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000087402 528051492 /nfs/dbraw/zinc/05/14/92/528051492.db2.gz JVPIOGXNTJWFNP-UHFFFAOYSA-N -1 0 291.350 4.723 50 0 CJAARM Cc1cc(-c2cc(C(=O)[O-])c3ccccc3n2)cc(C)c1C ZINC000000118842 567818779 /nfs/dbraw/zinc/81/87/79/567818779.db2.gz AWZFYDVHBPKLEK-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM [O-]c1ccc(Cl)cc1Sc1cc(Cl)ccc1O ZINC000000136146 567819641 /nfs/dbraw/zinc/81/96/41/567819641.db2.gz ANUSOIHIIPAHJV-UHFFFAOYSA-N -1 0 287.167 4.556 50 0 in-man CJAARM CCC(C)(C)c1ccc(OCC(=O)[O-])c(C(C)(C)CC)c1 ZINC000000156080 567820736 /nfs/dbraw/zinc/82/07/36/567820736.db2.gz QXQMENSTZKYZCE-UHFFFAOYSA-N -1 0 292.419 4.525 50 0 CJAARM Cc1ccc2c(c1)nc(-c1ccc(Cl)cc1)cc2C(=O)[O-] ZINC000000160841 169558793 /nfs/dbraw/zinc/55/87/93/169558793.db2.gz GBGZFWPXFQLKFC-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM O=C([O-])c1ccccc1Sc1cccc(C(F)(F)F)c1 ZINC000000161509 570382586 /nfs/dbraw/zinc/38/25/86/570382586.db2.gz JFNWLZMHYFDRNE-UHFFFAOYSA-N -1 0 298.285 4.555 50 0 CJAARM O=C([O-])C1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC000000208602 169575121 /nfs/dbraw/zinc/57/51/21/169575121.db2.gz LBTWQJBAENCWKC-UHFFFAOYSA-N -1 0 280.367 4.712 50 0 CJAARM O=P([O-])(/C=C/c1ccccc1)/C=C/c1ccccc1 ZINC000000235106 541328684 /nfs/dbraw/zinc/32/86/84/541328684.db2.gz PTLUUQJIFBPHEY-PHEQNACWSA-N -1 0 270.268 4.599 50 0 CJAARM Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000000243048 169584763 /nfs/dbraw/zinc/58/47/63/169584763.db2.gz DTGFDMHLQGULMA-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 in-vitro CJAARM O=C([O-])c1csc(-c2ccccc2)c1-c1ccccc1 ZINC000000245899 567822948 /nfs/dbraw/zinc/82/29/48/567822948.db2.gz MLMYPFYUGJOXPR-UHFFFAOYSA-N -1 0 280.348 4.780 50 0 CJAARM Oc1ccccc1Oc1ccc(Oc2ccccc2O)cc1 ZINC000000283707 567926077 /nfs/dbraw/zinc/92/60/77/567926077.db2.gz GWTNEKQQMHNXAB-UHFFFAOYSA-N -1 0 294.306 4.682 50 0 CJAARM Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)[O-])c2c1 ZINC000000323651 567825305 /nfs/dbraw/zinc/82/53/05/567825305.db2.gz HAASHOWNRBQQMV-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM O=C([O-])C1(Cc2cc(Cl)sc2Cl)CCCCC1 ZINC000000337215 169610289 /nfs/dbraw/zinc/61/02/89/169610289.db2.gz HFVJXZXHLXQYJE-UHFFFAOYSA-N -1 0 293.215 4.633 50 0 CJAARM O=C([O-])c1ccccc1N(c1ccccc1)c1ccccc1 ZINC000000345709 567825805 /nfs/dbraw/zinc/82/58/05/567825805.db2.gz ZEGFMCQPAMLDCS-UHFFFAOYSA-N -1 0 289.334 4.855 50 0 CJAARM Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)[O-])c2C)c1 ZINC000000355152 567826272 /nfs/dbraw/zinc/82/62/72/567826272.db2.gz XUCBWSLFLIXZNQ-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM CCCc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000372408 567827694 /nfs/dbraw/zinc/82/76/94/567827694.db2.gz CMIVTPBNVBBQEH-UHFFFAOYSA-N -1 0 291.350 4.553 50 0 CJAARM CCc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)s1 ZINC000000373310 567827553 /nfs/dbraw/zinc/82/75/53/567827553.db2.gz VRWJVGDWLYHRCF-UHFFFAOYSA-N -1 0 297.379 4.532 50 0 CJAARM Cc1cccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)c1 ZINC000000373600 567827730 /nfs/dbraw/zinc/82/77/30/567827730.db2.gz JLKVATDVYPVUIT-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1cccc2c(C(=O)[O-])cc(-c3cccc(Cl)c3)nc12 ZINC000000373701 567827677 /nfs/dbraw/zinc/82/76/77/567827677.db2.gz FPKLEYUUKRWSND-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)[O-])c2c1 ZINC000000374523 567827629 /nfs/dbraw/zinc/82/76/29/567827629.db2.gz SYVNPWGGRKYTBV-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c(C)c1 ZINC000000374797 567827588 /nfs/dbraw/zinc/82/75/88/567827588.db2.gz OIPCYAQMBPYCFB-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM CC(C)Cc1ccc([C@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000392275 567828686 /nfs/dbraw/zinc/82/86/86/567828686.db2.gz LBCKXAPXTNZPSS-WBVHZDCISA-N -1 0 274.404 4.634 50 0 CJAARM CC(C)Cc1ccc([C@@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000392276 567828761 /nfs/dbraw/zinc/82/87/61/567828761.db2.gz LBCKXAPXTNZPSS-NVXWUHKLSA-N -1 0 274.404 4.634 50 0 CJAARM CC(C)Cc1ccc([C@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000392277 567828534 /nfs/dbraw/zinc/82/85/34/567828534.db2.gz LBCKXAPXTNZPSS-RDJZCZTQSA-N -1 0 274.404 4.634 50 0 CJAARM CC(C)Cc1ccc([C@@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000392278 567828539 /nfs/dbraw/zinc/82/85/39/567828539.db2.gz LBCKXAPXTNZPSS-DOTOQJQBSA-N -1 0 274.404 4.634 50 0 CJAARM O=C([O-])CCC(=O)c1ccc(C2CCCC2)c2ccccc12 ZINC000000393421 169628647 /nfs/dbraw/zinc/62/86/47/169628647.db2.gz BEQXZGBFTBUDIY-UHFFFAOYSA-N -1 0 296.366 4.545 50 0 CJAARM S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000395499 567828728 /nfs/dbraw/zinc/82/87/28/567828728.db2.gz NYQSTRUSYDZNHC-UHFFFAOYSA-N -1 0 253.326 4.671 50 0 CJAARM CC(C)c1ccc([C@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000395767 567053169 /nfs/dbraw/zinc/05/31/69/567053169.db2.gz VUFRXPPRTZOMME-CJNGLKHVSA-N -1 0 260.377 4.559 50 0 CJAARM CC(C)c1ccc([C@@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000395768 169629380 /nfs/dbraw/zinc/62/93/80/169629380.db2.gz VUFRXPPRTZOMME-CZUORRHYSA-N -1 0 260.377 4.559 50 0 CJAARM CC(C)c1ccc([C@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000395769 567053306 /nfs/dbraw/zinc/05/33/06/567053306.db2.gz VUFRXPPRTZOMME-BBRMVZONSA-N -1 0 260.377 4.559 50 0 CJAARM CC(C)c1ccc([C@@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000395770 567053255 /nfs/dbraw/zinc/05/32/55/567053255.db2.gz VUFRXPPRTZOMME-XJKSGUPXSA-N -1 0 260.377 4.559 50 0 CJAARM Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)[O-] ZINC000000442698 169641921 /nfs/dbraw/zinc/64/19/21/169641921.db2.gz ZYTMJUPLERGXJB-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)[O-] ZINC000000442803 567830427 /nfs/dbraw/zinc/83/04/27/567830427.db2.gz CDRUOLULNFZWLV-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM c1ccc2sc([N-]c3nc4ccccc4s3)nc2c1 ZINC000000470825 567932787 /nfs/dbraw/zinc/93/27/87/567932787.db2.gz BAKKCCVQOIFVKD-UHFFFAOYSA-N -1 0 283.381 4.650 50 0 CJAARM CC(C)(C)c1cc(CCCC(=O)[O-])c(C(C)(C)C)s1 ZINC000000497326 567940180 /nfs/dbraw/zinc/94/01/80/567940180.db2.gz WQQPSSGRMXZUQH-UHFFFAOYSA-N -1 0 282.449 4.750 50 0 CJAARM S=c1oc2ccccc2cc1-c1nc2ccccc2[n-]1 ZINC000000499975 567940204 /nfs/dbraw/zinc/94/02/04/567940204.db2.gz PDSCDHFFBASGJT-UHFFFAOYSA-N -1 0 278.336 4.706 50 0 CJAARM S=c1[nH]nc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000000522124 567833185 /nfs/dbraw/zinc/83/31/85/567833185.db2.gz XRHUXNAMYPEHHK-UHFFFAOYSA-N -1 0 293.823 4.766 50 0 CJAARM [O-]c1c(Cl)cc(-c2nc3ccccc3s2)cc1Cl ZINC000000570157 567833616 /nfs/dbraw/zinc/83/36/16/567833616.db2.gz MBFVAPULZYHLSV-UHFFFAOYSA-N -1 0 296.178 4.976 50 0 CJAARM Cc1ccc(C(C)C)c(Oc2ccc(C(=O)[O-])cc2)c1 ZINC000000758814 567947962 /nfs/dbraw/zinc/94/79/62/567947962.db2.gz OODNKYPFAQOGRO-UHFFFAOYSA-N -1 0 270.328 4.609 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000000873978 567835099 /nfs/dbraw/zinc/83/50/99/567835099.db2.gz JYXFXXNOTATROZ-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)cc1 ZINC000000874168 567835180 /nfs/dbraw/zinc/83/51/80/567835180.db2.gz URBOZCFEPSTTKH-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)[O-] ZINC000000874178 567834892 /nfs/dbraw/zinc/83/48/92/567834892.db2.gz CDZCTMBUDWLODM-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c(C)c1 ZINC000000874670 567835121 /nfs/dbraw/zinc/83/51/21/567835121.db2.gz SDACGHUQBLGBNS-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)cc1 ZINC000000875152 567834927 /nfs/dbraw/zinc/83/49/27/567834927.db2.gz SVNVBZSLEPTROS-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM O=C([O-])Cc1ccc(-c2ccccc2-c2ccccc2)cc1 ZINC000000976692 567835235 /nfs/dbraw/zinc/83/52/35/567835235.db2.gz LHWRHTLIOVOKOB-UHFFFAOYSA-N -1 0 288.346 4.648 50 0 CJAARM O=C([O-])c1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000001027556 570323832 /nfs/dbraw/zinc/32/38/32/570323832.db2.gz AGZTUQQSZRDANA-UHFFFAOYSA-N -1 0 294.375 4.830 50 0 CJAARM CC[C@@H](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000001405434 566875016 /nfs/dbraw/zinc/87/50/16/566875016.db2.gz CCLVGHDFLATNLC-CYBMUJFWSA-N -1 0 268.356 4.640 50 0 CJAARM CC[C@H](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000001405435 567837321 /nfs/dbraw/zinc/83/73/21/567837321.db2.gz CCLVGHDFLATNLC-ZDUSSCGKSA-N -1 0 268.356 4.640 50 0 CJAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001578907 567838324 /nfs/dbraw/zinc/83/83/24/567838324.db2.gz IONYGGJUUJFXJK-UHFFFAOYSA-N -1 0 294.348 4.652 50 0 CJAARM O=C([O-])CCCCCCCCCCOc1ccccc1 ZINC000001600681 169723313 /nfs/dbraw/zinc/72/33/13/169723313.db2.gz FRSQLPPSRJNREN-UHFFFAOYSA-N -1 0 278.392 4.661 50 0 CJAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccccc3)nc12 ZINC000001671896 567841134 /nfs/dbraw/zinc/84/11/34/567841134.db2.gz ZVEMFXOLQBHHKA-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(Cl)cc3)nc12 ZINC000001671982 567840973 /nfs/dbraw/zinc/84/09/73/567840973.db2.gz ZMIYWPBMCVFZAO-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM O=C([O-])[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001734029 567842848 /nfs/dbraw/zinc/84/28/48/567842848.db2.gz ZXVGEBRRCLVWQY-IBGZPJMESA-N -1 0 288.346 4.570 50 0 CJAARM CCCCC1CCC(C2CCC(C(=O)[O-])CC2)CC1 ZINC000002022828 567844134 /nfs/dbraw/zinc/84/41/34/567844134.db2.gz XYKCCZSKCZRZST-UHFFFAOYSA-N -1 0 266.425 4.874 50 0 CJAARM CCCCC1CCC(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000002024164 169768648 /nfs/dbraw/zinc/76/86/48/169768648.db2.gz JFFLQXBPRCPGNZ-UHFFFAOYSA-N -1 0 274.404 4.924 50 0 CJAARM CCCCC1CCC(c2ccc(C(=O)[O-])cc2)CC1 ZINC000002030422 567844063 /nfs/dbraw/zinc/84/40/63/567844063.db2.gz BFZJIPFMDIHKKI-UHFFFAOYSA-N -1 0 260.377 4.849 50 0 CJAARM O=C([O-])[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002042226 567844354 /nfs/dbraw/zinc/84/43/54/567844354.db2.gz ZXVGEBRRCLVWQY-LJQANCHMSA-N -1 0 288.346 4.570 50 0 CJAARM CCCCOc1ccc(-c2ccc(C)cc2)cc1C(=O)[O-] ZINC000002170547 567845276 /nfs/dbraw/zinc/84/52/76/567845276.db2.gz LKKDPJJPFVRJIC-UHFFFAOYSA-N -1 0 284.355 4.539 50 0 CJAARM Cc1ccc2c(c1)/C(=C/CC(=O)[O-])c1ccccc1CS2 ZINC000002193126 570375469 /nfs/dbraw/zinc/37/54/69/570375469.db2.gz SSTKQFGZJJOWGS-VIZOYTHASA-N -1 0 296.391 4.507 50 0 CJAARM CC(=O)c1ccc(CCCCCCCCCC(=O)[O-])s1 ZINC000002293915 570385654 /nfs/dbraw/zinc/38/56/54/570385654.db2.gz HDTZBTOOXZUCLB-UHFFFAOYSA-N -1 0 296.432 4.699 50 0 CJAARM O=C([O-])CCCCCCCCCC(=O)c1cccs1 ZINC000002295865 169784564 /nfs/dbraw/zinc/78/45/64/169784564.db2.gz OICVGBWQVSUMAO-UHFFFAOYSA-N -1 0 282.405 4.526 50 0 CJAARM O=C([O-])CCCCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002378751 567845627 /nfs/dbraw/zinc/84/56/27/567845627.db2.gz ANOUXTSJHYKTJE-UHFFFAOYSA-N -1 0 296.366 4.571 50 0 CJAARM O=C([O-])c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000002390393 567845816 /nfs/dbraw/zinc/84/58/16/567845816.db2.gz WUTBSOJTMUNLCC-UHFFFAOYSA-N -1 0 281.547 4.560 50 0 CJAARM CCCCCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1 ZINC000002494756 169795441 /nfs/dbraw/zinc/79/54/41/169795441.db2.gz YKTWXCMHHNUDNN-UKTHLTGXSA-N -1 0 295.382 4.579 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000002505821 567846487 /nfs/dbraw/zinc/84/64/87/567846487.db2.gz MLOOGLXTXMVIAZ-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM O=C([O-])CCCCCCCCCCc1ccccc1 ZINC000002510086 169797470 /nfs/dbraw/zinc/79/74/70/169797470.db2.gz AUQIXRHHSITZFM-UHFFFAOYSA-N -1 0 262.393 4.825 50 0 CJAARM CCCCCC1CCC(c2n[n-]c(=S)o2)CC1 ZINC000002511806 567846167 /nfs/dbraw/zinc/84/61/67/567846167.db2.gz HWQQUVXVUDIVHG-UHFFFAOYSA-N -1 0 254.399 4.586 50 0 CJAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccccc3Cl)nc12 ZINC000002521244 169801501 /nfs/dbraw/zinc/80/15/01/169801501.db2.gz KQICKYYIRMWRJY-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccccc1-c1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000002521248 169801457 /nfs/dbraw/zinc/80/14/57/169801457.db2.gz XJIIWWXZEKPFPP-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000002521249 567847481 /nfs/dbraw/zinc/84/74/81/567847481.db2.gz YNSCJHCAYOGRHL-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM CCc1ccc2nc(-c3ccc(C)s3)cc(C(=O)[O-])c2c1 ZINC000002525930 567847634 /nfs/dbraw/zinc/84/76/34/567847634.db2.gz QEZISVVOJJLAKD-UHFFFAOYSA-N -1 0 297.379 4.532 50 0 CJAARM Cc1cccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526016 567847648 /nfs/dbraw/zinc/84/76/48/567847648.db2.gz GPHOCYQTDFLPOV-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccccc1-c1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000002526018 567847805 /nfs/dbraw/zinc/84/78/05/567847805.db2.gz CWPFJURJTLDVFY-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1cc(C(=O)[O-])sc1-c1ccc(C(C)C)cc1 ZINC000002538888 567847660 /nfs/dbraw/zinc/84/76/60/567847660.db2.gz GBFPEJNVULONSA-UHFFFAOYSA-N -1 0 260.358 4.545 50 0 CJAARM Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)[O-] ZINC000002549353 169807180 /nfs/dbraw/zinc/80/71/80/169807180.db2.gz XPICDAJPAVHJOS-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1cc(C(=O)[O-])sc1-c1ccc(C(C)(C)C)cc1 ZINC000002554037 567847995 /nfs/dbraw/zinc/84/79/95/567847995.db2.gz PPOWKZVFZODKAT-UHFFFAOYSA-N -1 0 274.385 4.719 50 0 CJAARM CCCCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002559375 567848176 /nfs/dbraw/zinc/84/81/76/567848176.db2.gz VRGQQLFRUKMDSW-UHFFFAOYSA-N -1 0 268.356 4.785 50 0 CJAARM CCCCc1ccc(C(=O)CCCCCCC(=O)[O-])cc1 ZINC000002579953 567848393 /nfs/dbraw/zinc/84/83/93/567848393.db2.gz JKFYZRAXARKFBZ-UHFFFAOYSA-N -1 0 290.403 4.637 50 0 CJAARM CC(C)(C)c1ccc(C(=O)CCCCCCC(=O)[O-])cc1 ZINC000002579958 567848344 /nfs/dbraw/zinc/84/83/44/567848344.db2.gz HFMXUKCCGWBZSS-UHFFFAOYSA-N -1 0 290.403 4.592 50 0 CJAARM CCCCCc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579961 567848322 /nfs/dbraw/zinc/84/83/22/567848322.db2.gz SRCFHVJYSUDPBQ-UHFFFAOYSA-N -1 0 290.403 4.637 50 0 CJAARM CCCCCCc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579964 169812912 /nfs/dbraw/zinc/81/29/12/169812912.db2.gz HBVPJPCDSQNIBL-UHFFFAOYSA-N -1 0 290.403 4.637 50 0 CJAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 ZINC000002735935 567849074 /nfs/dbraw/zinc/84/90/74/567849074.db2.gz GJFHVJHGNWFJFL-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1ccc2nc(-c3cccc(Cl)c3)cc(C(=O)[O-])c2c1 ZINC000002738036 567860494 /nfs/dbraw/zinc/86/04/94/567860494.db2.gz COQSLVPWXCACCD-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM CCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)s1 ZINC000002760384 567849185 /nfs/dbraw/zinc/84/91/85/567849185.db2.gz QKWLXGLRSOUDTL-UHFFFAOYSA-N -1 0 297.379 4.532 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)s1 ZINC000002765244 169827001 /nfs/dbraw/zinc/82/70/01/169827001.db2.gz MYARBKQEYBVYEG-UHFFFAOYSA-N -1 0 297.379 4.587 50 0 CJAARM O=C([O-])c1ccccc1Cc1ccc(-c2ccccc2)cc1 ZINC000002993560 567888334 /nfs/dbraw/zinc/88/83/34/567888334.db2.gz UKPQBXOGKHHBMK-UHFFFAOYSA-N -1 0 288.346 4.643 50 0 CJAARM CCCC1CCC(c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000003064800 570219223 /nfs/dbraw/zinc/21/92/23/570219223.db2.gz NVIYVQUKBBOUKC-MDWZMJQESA-N -1 0 272.388 4.858 50 0 CJAARM O=C([O-])c1ccccc1C=C1c2ccccc2-c2ccccc21 ZINC000003132665 567057776 /nfs/dbraw/zinc/05/77/76/567057776.db2.gz KHAKIUANPMTDEA-UHFFFAOYSA-N -1 0 298.341 4.954 50 0 CJAARM O=C([O-])CCCCCCCCc1ccc(Cl)s1 ZINC000003159531 567851570 /nfs/dbraw/zinc/85/15/70/567851570.db2.gz YNRIKGNXVYGENF-UHFFFAOYSA-N -1 0 274.813 4.759 50 0 CJAARM CCCCn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1 ZINC000003249329 567851927 /nfs/dbraw/zinc/85/19/27/567851927.db2.gz DLPQZMFBSJUWGB-UHFFFAOYSA-N -1 0 289.448 4.705 50 0 CJAARM Cc1ccc2c(C(=O)[O-])cc(-c3ccccc3C)nc2c1C ZINC000003756207 570328452 /nfs/dbraw/zinc/32/84/52/570328452.db2.gz AOPLYPMRZWCKSA-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1cccc(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)c1 ZINC000003756208 567853402 /nfs/dbraw/zinc/85/34/02/567853402.db2.gz DFSPJQGZQWCZNW-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)s1 ZINC000003756209 169911393 /nfs/dbraw/zinc/91/13/93/169911393.db2.gz BWTOIVHFIZIYJT-UHFFFAOYSA-N -1 0 297.379 4.587 50 0 CJAARM Cc1cc(C)c2nc(-c3ccccc3C)cc(C(=O)[O-])c2c1 ZINC000003756457 567853542 /nfs/dbraw/zinc/85/35/42/567853542.db2.gz ISRKMRYQBAUEGW-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM O=C([O-])CCCCCCCCCCCCCCCO ZINC000003861297 567854405 /nfs/dbraw/zinc/85/44/05/567854405.db2.gz UGAGPNKCDRTDHP-UHFFFAOYSA-N -1 0 272.429 4.525 50 0 endogenous,in-man CJAARM Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c2c1 ZINC000003882431 567854235 /nfs/dbraw/zinc/85/42/35/567854235.db2.gz UKVYTICTOCBCIP-UHFFFAOYSA-N -1 0 297.741 4.562 50 0 CJAARM Cc1ccc(C)c2c1Sc1ccc(C(=O)[O-])cc1N=C2C ZINC000003913661 567854479 /nfs/dbraw/zinc/85/44/79/567854479.db2.gz CXYTZOGRAMKMAV-UHFFFAOYSA-N -1 0 297.379 4.607 50 0 CJAARM Cc1sc(C)c(C2=C(C)CCC[C@@H]2C)c1C(=O)[O-] ZINC000004019227 567854521 /nfs/dbraw/zinc/85/45/21/567854521.db2.gz LTZPSPMFLLFISQ-QMMMGPOBSA-N -1 0 264.390 4.657 50 0 CJAARM Cc1sc(C)c(C2=C(C)CCC[C@H]2C)c1C(=O)[O-] ZINC000004019228 567854616 /nfs/dbraw/zinc/85/46/16/567854616.db2.gz LTZPSPMFLLFISQ-MRVPVSSYSA-N -1 0 264.390 4.657 50 0 CJAARM S=C1C[C@@H](c2ccccc2)Sc2ccccc2[N-]1 ZINC000004174683 567855963 /nfs/dbraw/zinc/85/59/63/567855963.db2.gz FQEWVXXAJZVQAC-AWEZNQCLSA-N -1 0 271.410 4.663 50 0 CJAARM S=C1C[C@H](c2ccccc2)Sc2ccccc2[N-]1 ZINC000004174687 567855660 /nfs/dbraw/zinc/85/56/60/567855660.db2.gz FQEWVXXAJZVQAC-CQSZACIVSA-N -1 0 271.410 4.663 50 0 CJAARM O=C([O-])c1ccc(-c2ccc(-c3ccccc3)cc2)s1 ZINC000004218286 169945118 /nfs/dbraw/zinc/94/51/18/169945118.db2.gz DSTXAXUTSLGOLB-UHFFFAOYSA-N -1 0 280.348 4.780 50 0 CJAARM C[C@@H]1CC[C@@](C)(COC(=S)[N-]c2ccccc2)C1(C)C ZINC000004235355 567856147 /nfs/dbraw/zinc/85/61/47/567856147.db2.gz WSCQPJOIYBRJQZ-DYVFJYSZSA-N -1 0 291.460 4.862 50 0 CJAARM C[C@H]1CC[C@@](C)(COC(=S)[N-]c2ccccc2)C1(C)C ZINC000004235356 567856067 /nfs/dbraw/zinc/85/60/67/567856067.db2.gz WSCQPJOIYBRJQZ-GUYCJALGSA-N -1 0 291.460 4.862 50 0 CJAARM C[C@@H]1CC[C@](C)(COC(=S)[N-]c2ccccc2)C1(C)C ZINC000004235357 567856135 /nfs/dbraw/zinc/85/61/35/567856135.db2.gz WSCQPJOIYBRJQZ-CXAGYDPISA-N -1 0 291.460 4.862 50 0 CJAARM C[C@H]1CC[C@](C)(COC(=S)[N-]c2ccccc2)C1(C)C ZINC000004235358 567856144 /nfs/dbraw/zinc/85/61/44/567856144.db2.gz WSCQPJOIYBRJQZ-SUMWQHHRSA-N -1 0 291.460 4.862 50 0 CJAARM S=c1[n-]c2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1 ZINC000004343269 567856898 /nfs/dbraw/zinc/85/68/98/567856898.db2.gz GULMIEWUVWLKCY-UHFFFAOYSA-N -1 0 285.412 4.958 50 0 CJAARM Cc1ccc(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004600094 570235357 /nfs/dbraw/zinc/23/53/57/570235357.db2.gz MIGOZOUJAOVMKM-UHFFFAOYSA-N -1 0 294.394 4.748 50 0 CJAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1 ZINC000004651935 567858638 /nfs/dbraw/zinc/85/86/38/567858638.db2.gz OYSSECUCEIMIEG-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1C ZINC000004651980 169993882 /nfs/dbraw/zinc/99/38/82/169993882.db2.gz GLZQMZIZJACQKF-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)[O-] ZINC000004655397 567858654 /nfs/dbraw/zinc/85/86/54/567858654.db2.gz HNICUWMFWZBIFP-IRQZEAMPSA-N -1 0 296.451 4.855 50 0 endogenous,in-man CJAARM CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)[O-] ZINC000004655401 567858642 /nfs/dbraw/zinc/85/86/42/567858642.db2.gz NPDSHTNEKLQQIJ-UINYOVNOSA-N -1 0 296.451 4.855 50 0 endogenous,in-man CJAARM CCCCCCc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000004749555 170011481 /nfs/dbraw/zinc/01/14/81/170011481.db2.gz QSYDWVWKCPCPIS-UHFFFAOYSA-N -1 0 294.778 4.583 50 0 CJAARM O=C([O-])c1cc(-c2ccccc2)cc(-c2ccccc2)c1 ZINC000004823168 170024157 /nfs/dbraw/zinc/02/41/57/170024157.db2.gz KKNFLGHYWGUFHY-UHFFFAOYSA-N -1 0 274.319 4.719 50 0 CJAARM CCO[C@H](/C=C(\C)CCC=C(C)C)C/C(C)=C\C(=O)[O-] ZINC000004976346 170047764 /nfs/dbraw/zinc/04/77/64/170047764.db2.gz SYHZIWQDPDTBGP-WTRSMJFCSA-N -1 0 280.408 4.505 50 0 CJAARM CCO[C@@H](/C=C(\C)CCC=C(C)C)C/C(C)=C\C(=O)[O-] ZINC000004976352 170047667 /nfs/dbraw/zinc/04/76/67/170047667.db2.gz SYHZIWQDPDTBGP-KJMOSUECSA-N -1 0 280.408 4.505 50 0 CJAARM S=C1C=C(c2ccccc2)Sc2ccccc2[N-]1 ZINC000005175996 170073631 /nfs/dbraw/zinc/07/36/31/170073631.db2.gz TXZDWZXRCBKQAM-UHFFFAOYSA-N -1 0 269.394 4.573 50 0 CJAARM O=C([O-])CCCCCCCCCCCCCCCCO ZINC000005287109 170083118 /nfs/dbraw/zinc/08/31/18/170083118.db2.gz JHRQMZPLCYCFPI-UHFFFAOYSA-N -1 0 286.456 4.915 50 0 biogenic,in-vitro CJAARM CCC[C@@H](CCCCCCCCCCC(=O)[O-])C(C)=O ZINC000005313499 170085070 /nfs/dbraw/zinc/08/50/70/170085070.db2.gz GCRHMKCGZJEGOC-INIZCTEOSA-N -1 0 284.440 4.977 50 0 CJAARM CCC[C@H](CCCCCCCCCCC(=O)[O-])C(C)=O ZINC000005313565 170085073 /nfs/dbraw/zinc/08/50/73/170085073.db2.gz GCRHMKCGZJEGOC-MRXNPFEDSA-N -1 0 284.440 4.977 50 0 CJAARM CCCCCCOc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000005418198 170096691 /nfs/dbraw/zinc/09/66/91/170096691.db2.gz KGBWWTXUSOPASH-UHFFFAOYSA-N -1 0 298.382 4.582 50 0 CJAARM Cc1cc(C)c2nc(-c3ccccc3)c(C)c(C(=O)[O-])c2c1 ZINC000005488592 170104146 /nfs/dbraw/zinc/10/41/46/170104146.db2.gz OTGGVDIKLFZRPO-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM CC(C)c1ccc(Sc2ccc(F)cc2C(=O)[O-])cc1 ZINC000005633623 567932809 /nfs/dbraw/zinc/93/28/09/567932809.db2.gz RDQIROAPSJMUCO-UHFFFAOYSA-N -1 0 290.359 4.799 50 0 CJAARM CCCCc1cc2c(cc1[O-])occ(-c1ccccc1)c2=O ZINC000005897635 170152054 /nfs/dbraw/zinc/15/20/54/170152054.db2.gz VMWIWCJCPQRYSA-UHFFFAOYSA-N -1 0 294.350 4.508 50 0 CJAARM CCCCCC1CCC(c2ccc(C(=O)[O-])nc2)CC1 ZINC000006050848 170172199 /nfs/dbraw/zinc/17/21/99/170172199.db2.gz USJRPBLCPJFWKU-UHFFFAOYSA-N -1 0 275.392 4.634 50 0 CJAARM Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)[O-])c2C)cc1 ZINC000006277300 170187756 /nfs/dbraw/zinc/18/77/56/170187756.db2.gz MAJOXBWPHXTLRS-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2C)cc1 ZINC000006277337 170188061 /nfs/dbraw/zinc/18/80/61/170188061.db2.gz UVCGUUPBIALSIL-UHFFFAOYSA-N -1 0 291.350 4.525 50 0 CJAARM Cc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c(C)s1 ZINC000006279199 170188330 /nfs/dbraw/zinc/18/83/30/170188330.db2.gz GYXOTEIZJASUHV-UHFFFAOYSA-N -1 0 297.379 4.587 50 0 CJAARM O=C([O-])c1ccccc1Sc1ccccc1C(F)(F)F ZINC000006926874 170256030 /nfs/dbraw/zinc/25/60/30/170256030.db2.gz ZNQWHIGKRQNNAC-UHFFFAOYSA-N -1 0 298.285 4.555 50 0 CJAARM CSc1ccccc1[N-]C(=S)Nc1cccc(C)c1 ZINC000006967667 170259622 /nfs/dbraw/zinc/25/96/22/170259622.db2.gz VZSBXOOWDFQUID-UHFFFAOYSA-N -1 0 288.441 4.526 50 0 CJAARM O=[P@@]([O-])(/C=C/c1ccccc1)Oc1ccc(Cl)cc1 ZINC000010434602 567861516 /nfs/dbraw/zinc/86/15/16/567861516.db2.gz XIGPBHRWNGZRON-ZHACJKMWSA-N -1 0 294.674 4.575 50 0 CJAARM C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c2ccccc21 ZINC000011616593 567881298 /nfs/dbraw/zinc/88/12/98/567881298.db2.gz FTSQZNUQZBAPET-CYBMUJFWSA-N -1 0 276.335 4.695 50 0 in-man CJAARM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)c2ccccc21 ZINC000011616594 170428091 /nfs/dbraw/zinc/42/80/91/170428091.db2.gz FTSQZNUQZBAPET-ZDUSSCGKSA-N -1 0 276.335 4.695 50 0 in-man CJAARM CC(C)c1ccc(S[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000011956010 567862180 /nfs/dbraw/zinc/86/21/80/567862180.db2.gz WXOIHKXGGSBFKT-MRXNPFEDSA-N -1 0 286.396 4.728 50 0 CJAARM CC(C)c1ccc(S[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000011956014 567862437 /nfs/dbraw/zinc/86/24/37/567862437.db2.gz WXOIHKXGGSBFKT-INIZCTEOSA-N -1 0 286.396 4.728 50 0 CJAARM CCN(CC)c1ccc(N=Nc2ccccc2C(=O)[O-])cc1 ZINC000012405048 567862972 /nfs/dbraw/zinc/86/29/72/567862972.db2.gz HBRCDTRQDHMTDA-UHFFFAOYSA-N -1 0 297.358 4.646 50 0 CJAARM CC(C)(C)c1ccc(-c2c/c(=N\[O-])c3ccccc3o2)cc1 ZINC000012418180 570317633 /nfs/dbraw/zinc/31/76/33/570317633.db2.gz HHTOYPRLBGKTDU-CAPFRKAQSA-N -1 0 293.366 4.687 50 0 CJAARM COc1ccc(C(=O)[O-])cc1C/C=C(\C)CCC=C(C)C ZINC000015120543 567870226 /nfs/dbraw/zinc/87/02/26/567870226.db2.gz IHSAYXMNBDVWDA-RIYZIHGNSA-N -1 0 288.387 4.629 50 0 biogenic,in-vitro CJAARM CCCC1=Nc2cc(C(=O)[O-])ccc2Sc2ccccc21 ZINC000015827490 570341643 /nfs/dbraw/zinc/34/16/43/570341643.db2.gz KTQPHUUAPZQAGC-UHFFFAOYSA-N -1 0 297.379 4.770 50 0 CJAARM CCCC[C@@H](O)CCCCCCCCCCC(=O)[O-] ZINC000016637707 570358107 /nfs/dbraw/zinc/35/81/07/570358107.db2.gz VXLJMBUCOXFMGJ-OAHLLOKOSA-N -1 0 272.429 4.523 50 0 CJAARM CCCC[C@H](O)CCCCCCCCCCC(=O)[O-] ZINC000016637710 570358081 /nfs/dbraw/zinc/35/80/81/570358081.db2.gz VXLJMBUCOXFMGJ-HNNXBMFYSA-N -1 0 272.429 4.523 50 0 CJAARM O=C([O-])c1cc2c(s1)CCCCCCCCCC2 ZINC000016991104 570225981 /nfs/dbraw/zinc/22/59/81/570225981.db2.gz LNSQBMPERJWUBR-UHFFFAOYSA-N -1 0 266.406 4.666 50 0 CJAARM Cc1ccc2c(c1)/C(=C\CC(=O)[O-])c1ccccc1CS2 ZINC000017185680 567875266 /nfs/dbraw/zinc/87/52/66/567875266.db2.gz SSTKQFGZJJOWGS-CHHVJCJISA-N -1 0 296.391 4.507 50 0 CJAARM CCc1ccc2[nH]c(C(=O)[O-])c(-c3ccc(Cl)cc3)c2c1 ZINC000019894288 170909990 /nfs/dbraw/zinc/90/99/90/170909990.db2.gz XQIHQWFBSSEQPS-UHFFFAOYSA-N -1 0 299.757 4.749 50 0 CJAARM O=C1CCCCCCCCCCC1=C([O-])c1ccccc1 ZINC000019926346 567944682 /nfs/dbraw/zinc/94/46/82/567944682.db2.gz KYKFKHJDOGHZIA-KRWDZBQOSA-N -1 0 286.415 4.969 50 0 CJAARM O=C1CCCCCCCCCCC1=C([O-])c1ccccc1 ZINC000019926347 567944738 /nfs/dbraw/zinc/94/47/38/567944738.db2.gz KYKFKHJDOGHZIA-QGZVFWFLSA-N -1 0 286.415 4.969 50 0 CJAARM CC(C)(C)c1ccc(Oc2ccc(C(=O)[O-])cc2F)cc1 ZINC000022150866 171358669 /nfs/dbraw/zinc/35/86/69/171358669.db2.gz PMXQUDMXXBCKJX-UHFFFAOYSA-N -1 0 288.318 4.614 50 0 CJAARM CCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-] ZINC000027643024 570409208 /nfs/dbraw/zinc/40/92/08/570409208.db2.gz UGNYDWLENCPIBP-MRXNPFEDSA-N -1 0 286.456 4.913 50 0 CJAARM O=C([O-])c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000034057267 171829784 /nfs/dbraw/zinc/82/97/84/171829784.db2.gz BJHHREPACLZKDA-UHFFFAOYSA-N -1 0 274.319 4.719 50 0 CJAARM O=C([O-])c1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000034295570 567887142 /nfs/dbraw/zinc/88/71/42/567887142.db2.gz PLXZYDNEHLDUNJ-UHFFFAOYSA-N -1 0 299.178 4.843 50 0 CJAARM CC(C)[C@@H](CC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000036140658 570357714 /nfs/dbraw/zinc/35/77/14/570357714.db2.gz PCJQTPPOJLISPP-QGZVFWFLSA-N -1 0 274.404 4.949 50 0 CJAARM CC(C)[C@H](CC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000036140661 570357529 /nfs/dbraw/zinc/35/75/29/570357529.db2.gz PCJQTPPOJLISPP-KRWDZBQOSA-N -1 0 274.404 4.949 50 0 CJAARM CCCCc1ccc(-c2ccc(/C=C/C(=O)[O-])s2)cc1 ZINC000036666869 567889693 /nfs/dbraw/zinc/88/96/93/567889693.db2.gz MHVHXABZECCFPX-ZRDIBKRKSA-N -1 0 286.396 4.856 50 0 CJAARM Cc1ccc(C)c(Oc2ccccc2/C=C/C(=O)[O-])c1C ZINC000037382556 173167921 /nfs/dbraw/zinc/16/79/21/173167921.db2.gz WXPOLSQBRBTEDI-ZHACJKMWSA-N -1 0 282.339 4.502 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)c(C)cc3n2)s1 ZINC000040163689 174196715 /nfs/dbraw/zinc/19/67/15/174196715.db2.gz MUXAYGLSZQNZBR-UHFFFAOYSA-N -1 0 297.379 4.587 50 0 CJAARM Cc1ccc(Sc2c3ccc(C)cc3[nH]c2C(=O)[O-])cc1 ZINC000045795956 175384040 /nfs/dbraw/zinc/38/40/40/175384040.db2.gz WUPBPHDMHAPCTF-UHFFFAOYSA-N -1 0 297.379 4.634 50 0 CJAARM C[C@H](C(=O)[O-])[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000048547283 570298514 /nfs/dbraw/zinc/29/85/14/570298514.db2.gz ZLDAKGRXSLJJHX-LIRRHRJNSA-N -1 0 290.362 4.692 50 0 CJAARM C[C@@H](C(=O)[O-])[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000048547285 570298497 /nfs/dbraw/zinc/29/84/97/570298497.db2.gz ZLDAKGRXSLJJHX-KUHUBIRLSA-N -1 0 290.362 4.692 50 0 CJAARM C[C@H](C(=O)[O-])[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000048547287 570298508 /nfs/dbraw/zinc/29/85/08/570298508.db2.gz ZLDAKGRXSLJJHX-IFXJQAMLSA-N -1 0 290.362 4.692 50 0 CJAARM C[C@@H](C(=O)[O-])[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000048547289 570298556 /nfs/dbraw/zinc/29/85/56/570298556.db2.gz ZLDAKGRXSLJJHX-AUUYWEPGSA-N -1 0 290.362 4.692 50 0 CJAARM O=C([O-])c1cc(-c2cccc3ccccc32)ccc1Cl ZINC000065331654 570243676 /nfs/dbraw/zinc/24/36/76/570243676.db2.gz GPUXFANAURCFNN-UHFFFAOYSA-N -1 0 282.726 4.858 50 0 CJAARM Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000065350098 567898383 /nfs/dbraw/zinc/89/83/83/567898383.db2.gz GKYADOUZTBGAPJ-UHFFFAOYSA-N -1 0 298.235 4.518 50 0 CJAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C(C)(C)C)cc1 ZINC000065351391 567898553 /nfs/dbraw/zinc/89/85/53/567898553.db2.gz WVKGRFBQUHRTHJ-UHFFFAOYSA-N -1 0 268.356 4.658 50 0 CJAARM O=C([O-])c1ccccc1Sc1cc(Cl)ccc1Cl ZINC000071767102 567901652 /nfs/dbraw/zinc/90/16/52/567901652.db2.gz DORYKFKWTFOSHQ-UHFFFAOYSA-N -1 0 299.178 4.843 50 0 CJAARM O=C([O-])CCCCCCCCCCCC[C@@H]1CC[C@@H]2O[C@@H]21 ZINC000071771069 567901918 /nfs/dbraw/zinc/90/19/18/567901918.db2.gz MBUAHSTXXJLPOJ-SOLBZPMBSA-N -1 0 296.451 4.930 50 0 CJAARM O=C([O-])CCCCCCCCCCCC[C@@H]1CC[C@H]2O[C@H]21 ZINC000071771072 567090851 /nfs/dbraw/zinc/09/08/51/567090851.db2.gz MBUAHSTXXJLPOJ-NUJGCVRESA-N -1 0 296.451 4.930 50 0 CJAARM O=C([O-])Cc1ccc(-c2cccc(Cl)c2)c2ccccc12 ZINC000071771412 176262283 /nfs/dbraw/zinc/26/22/83/176262283.db2.gz GTKDBBUZUGRECX-UHFFFAOYSA-N -1 0 296.753 4.787 50 0 CJAARM O=C([O-])Cc1ccc(-c2ccccc2Cl)c2ccccc12 ZINC000071771420 176262443 /nfs/dbraw/zinc/26/24/43/176262443.db2.gz BAJAVTCOZQZADS-UHFFFAOYSA-N -1 0 296.753 4.787 50 0 CJAARM C[C@H](C(=O)[O-])c1cccc2c(-c3ccccc3)cccc21 ZINC000071771502 176262558 /nfs/dbraw/zinc/26/25/58/176262558.db2.gz BPFUGVAQMRYDCU-ZDUSSCGKSA-N -1 0 276.335 4.695 50 0 CJAARM C[C@@H](C(=O)[O-])c1cccc2c(-c3ccccc3)cccc21 ZINC000071771504 176262432 /nfs/dbraw/zinc/26/24/32/176262432.db2.gz BPFUGVAQMRYDCU-CYBMUJFWSA-N -1 0 276.335 4.695 50 0 CJAARM O=C([O-])c1cccc(C(c2ccccc2)c2ccccc2)c1 ZINC000071772881 567902101 /nfs/dbraw/zinc/90/21/01/567902101.db2.gz CJFXUOBKKHOEIM-UHFFFAOYSA-N -1 0 288.346 4.565 50 0 CJAARM Cc1ccccc1-c1cc2ccccc2c(C(=O)[O-])c1 ZINC000071777836 567902003 /nfs/dbraw/zinc/90/20/03/567902003.db2.gz LSMWQTKZPYYZHX-UHFFFAOYSA-N -1 0 262.308 4.513 50 0 CJAARM Cc1cccc2c1[nH]c(-c1ccccc1)c2C(C)(C)C(=O)[O-] ZINC000075252748 566937926 /nfs/dbraw/zinc/93/79/26/566937926.db2.gz QSSVIDHHMXGVPA-UHFFFAOYSA-N -1 0 293.366 4.506 50 0 CJAARM Cc1cc(/C=C/c2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000075283109 566939959 /nfs/dbraw/zinc/93/99/59/566939959.db2.gz BGQGIRGYINASGL-GORDUTHDSA-N -1 0 278.760 4.579 50 0 CJAARM O=C([O-])c1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC000090225704 179936601 /nfs/dbraw/zinc/93/66/01/179936601.db2.gz YVCUWBJKGWDSBE-UHFFFAOYSA-N -1 0 299.178 4.843 50 0 CJAARM O=C([O-])c1ccc(Cl)cc1Sc1ccc(Cl)cc1 ZINC000095348369 567909299 /nfs/dbraw/zinc/90/92/99/567909299.db2.gz CENXGFUFMFJOCH-UHFFFAOYSA-N -1 0 299.178 4.843 50 0 CJAARM Cc1oc(-c2cc(Cl)ccc2Cl)c(C)c1C(=O)[O-] ZINC000096306135 567141133 /nfs/dbraw/zinc/14/11/33/567141133.db2.gz RMKXLYCEJQWCEQ-UHFFFAOYSA-N -1 0 285.126 4.568 50 0 CJAARM CC(C(=O)c1ccc(C)c(C)c1)=C([O-])c1ccc(C)c(C)c1 ZINC000100780625 567913813 /nfs/dbraw/zinc/91/38/13/567913813.db2.gz CGJOWGDEVUJEFE-UHFFFAOYSA-N -1 0 294.394 4.622 50 0 CJAARM Cc1cc(/C=C\c2ccc(Cl)cc2)c(C(=O)[O-])s1 ZINC000211057544 570323489 /nfs/dbraw/zinc/32/34/89/570323489.db2.gz BGQGIRGYINASGL-DJWKRKHSSA-N -1 0 278.760 4.579 50 0 CJAARM O=C([O-])C[C@H]1CC[C@H](c2ccc3ccccc3c2)CC1 ZINC000257358142 190038053 /nfs/dbraw/zinc/03/80/53/190038053.db2.gz RWWHTPAGFIDBSJ-CTYIDZIISA-N -1 0 268.356 4.588 50 0 CJAARM O=C([O-])c1c(-c2ccc(C(F)(F)F)cc2)coc1C1CC1 ZINC000725245261 567908155 /nfs/dbraw/zinc/90/81/55/567908155.db2.gz BOQYUMCRNBKPLA-UHFFFAOYSA-N -1 0 296.244 4.541 50 0 CJAARM CCCc1occ(-c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000725245667 567908271 /nfs/dbraw/zinc/90/82/71/567908271.db2.gz DUXVHFKIXMZQTI-UHFFFAOYSA-N -1 0 298.260 4.616 50 0 CJAARM O=C([O-])c1c(-c2ccc(F)cc2F)coc1C1CCCC1 ZINC000725246424 567908131 /nfs/dbraw/zinc/90/81/31/567908131.db2.gz MPCUKUCMOGKRAQ-UHFFFAOYSA-N -1 0 292.281 4.581 50 0 CJAARM O=C([O-])c1c(-c2ccc(Cl)cc2)coc1C1CCCC1 ZINC000725246656 570255803 /nfs/dbraw/zinc/25/58/03/570255803.db2.gz RXJRERRZHZTCCV-UHFFFAOYSA-N -1 0 290.746 4.956 50 0 CJAARM CC(C)c1occ(-c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000725246693 567908537 /nfs/dbraw/zinc/90/85/37/567908537.db2.gz SURZAAJRKZKGDW-UHFFFAOYSA-N -1 0 298.260 4.787 50 0 CJAARM O=C([O-])c1c(-c2ccc(Cl)cc2)coc1C1CCC1 ZINC000725246703 567908562 /nfs/dbraw/zinc/90/85/62/567908562.db2.gz UAEWENIPBSAHQZ-UHFFFAOYSA-N -1 0 276.719 4.566 50 0 CJAARM