smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000000000111 171238320 /nfs/dbraw/zinc/23/83/20/171238320.db2.gz IYEPZNKOJZOGJG-HNNXBMFYSA-N -1 0 240.302 3.932 50 0 in-man BHAARM C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000000000301 342669487 /nfs/dbraw/zinc/66/94/87/342669487.db2.gz RDJGLLICXDHJDY-NSHDSACASA-N -1 0 242.274 3.667 50 0 fda BHAARM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000000000323 176585872 /nfs/dbraw/zinc/58/58/72/176585872.db2.gz SYTBZMRGLBWNTM-JTQLQIEISA-N -1 0 244.265 3.681 50 0 fda BHAARM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000000000361 342669546 /nfs/dbraw/zinc/66/95/46/342669546.db2.gz JALUUBQFLPUJMY-NSHDSACASA-N -1 0 226.275 3.542 50 0 in-vivo BHAARM C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000000008667 342669655 /nfs/dbraw/zinc/66/96/55/342669655.db2.gz SYTBZMRGLBWNTM-SNVBAGLBSA-N -1 0 244.265 3.681 50 0 fda BHAARM Cc1cccc(Nc2ccccc2C(=O)[O-])c1C ZINC000000020241 179159309 /nfs/dbraw/zinc/15/93/09/179159309.db2.gz HYYBABOKPJLUIN-UHFFFAOYSA-N -1 0 241.290 3.745 50 0 fda BHAARM O=C([O-])c1ccc(Cl)cc1Nc1ccccc1 ZINC000000029077 342669973 /nfs/dbraw/zinc/66/99/73/342669973.db2.gz MTIKNMBLKUFLKL-UHFFFAOYSA-N -1 0 247.681 3.782 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000040867 182411691 /nfs/dbraw/zinc/41/16/91/182411691.db2.gz FPSINWFYJYHUBV-SOFGYWHQSA-N -1 0 248.665 3.698 50 0 BHAARM FC(F)(F)c1ccc2sc(=S)[n-]c2c1 ZINC000000053093 383819736 /nfs/dbraw/zinc/81/97/36/383819736.db2.gz DJRUWESABPZMRB-UHFFFAOYSA-N -1 0 235.255 3.604 50 0 BHAARM CC(=O)c1coc2c1cc([O-])c(Cl)c2Cl ZINC000000054869 383822183 /nfs/dbraw/zinc/82/21/83/383822183.db2.gz FTIQWDGGQAVVQL-UHFFFAOYSA-N -1 0 245.061 3.648 50 0 BHAARM Cc1ccc(C(=O)c2ccccc2Cl)c([O-])c1 ZINC000000058227 342672176 /nfs/dbraw/zinc/67/21/76/342672176.db2.gz OTCDVKUDWWUJPO-UHFFFAOYSA-N -1 0 246.693 3.585 50 0 BHAARM CCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000000058283 342672130 /nfs/dbraw/zinc/67/21/30/342672130.db2.gz SCEBDBNGUCNRCE-UHFFFAOYSA-N -1 0 226.275 3.614 50 0 BHAARM O=C([O-])c1cc2ccc3ccccc3c2s1 ZINC000000068795 491124757 /nfs/dbraw/zinc/12/47/57/491124757.db2.gz KRSFUJUZIQCOHU-UHFFFAOYSA-N -1 0 228.272 3.753 50 0 in-vitro BHAARM S=c1[n-]c2ccc(Cl)cc2c(=S)[nH]1 ZINC000000068823 183313800 /nfs/dbraw/zinc/31/38/00/183313800.db2.gz WBPLGJJUOXEWIB-UHFFFAOYSA-N -1 0 228.729 3.608 50 0 BHAARM CC(C)(C)N1Sc2ccccc2[N-]C1=S ZINC000000069860 344185803 /nfs/dbraw/zinc/18/58/03/344185803.db2.gz BKHJLCGPCZERSM-UHFFFAOYSA-N -1 0 238.381 3.505 50 0 BHAARM CCCC(=O)c1ccc([C@@H](C)CCC(=O)[O-])cc1 ZINC000000073718 342672713 /nfs/dbraw/zinc/67/27/13/342672713.db2.gz BVZYDHQOQXNBHL-NSHDSACASA-N -1 0 248.322 3.638 50 0 BHAARM CCCC(=O)c1ccc([C@H](C)CCC(=O)[O-])cc1 ZINC000000073721 342672784 /nfs/dbraw/zinc/67/27/84/342672784.db2.gz BVZYDHQOQXNBHL-LLVKDONJSA-N -1 0 248.322 3.638 50 0 BHAARM O=C([O-])c1ccccc1-c1cc2ccccc2[nH]1 ZINC000000103501 182580633 /nfs/dbraw/zinc/58/06/33/182580633.db2.gz LCESEHLZWDWPKJ-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=C([O-])C1CCC(c2ccc(Cl)cc2)CC1 ZINC000000105354 182428524 /nfs/dbraw/zinc/42/85/24/182428524.db2.gz NXXDIEYTMQYWJU-UHFFFAOYSA-N -1 0 238.714 3.698 50 0 BHAARM CC(C)(CC(=O)[O-])Sc1ccc(Cl)cc1 ZINC000000106242 188452112 /nfs/dbraw/zinc/45/21/12/188452112.db2.gz JHEWIQBRJXSGAO-UHFFFAOYSA-N -1 0 244.743 3.685 50 0 BHAARM Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000000113353 180526863 /nfs/dbraw/zinc/52/68/63/180526863.db2.gz HUQOLZUHGMRQFS-UHFFFAOYSA-N -1 0 236.654 3.607 50 0 BHAARM Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1 ZINC000000119403 342675396 /nfs/dbraw/zinc/67/53/96/342675396.db2.gz GPTXWRGISTZRIO-UHFFFAOYSA-N -1 0 228.078 3.556 50 0 world BHAARM O=C([O-])c1ccccc1SCc1ccccc1 ZINC000000124812 342675795 /nfs/dbraw/zinc/67/57/95/342675795.db2.gz IQMZULGMADGDLC-UHFFFAOYSA-N -1 0 244.315 3.677 50 0 BHAARM O=C([O-])c1cc(-c2ccccc2)nc2ccccc21 ZINC000000125047 342675725 /nfs/dbraw/zinc/67/57/25/342675725.db2.gz YTRMTPPVNRALON-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 world BHAARM CCOC(=S)[N-]c1cccc2ccccc21 ZINC000000129493 170312077 /nfs/dbraw/zinc/31/20/77/170312077.db2.gz NFMLPYDCAFNUOV-UHFFFAOYSA-N -1 0 231.320 3.573 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000000134348 383833387 /nfs/dbraw/zinc/83/33/87/383833387.db2.gz IZITWMKBFNBYRN-SOFGYWHQSA-N -1 0 248.665 3.698 50 0 BHAARM Cc1ccc([O-])c(Sc2cc(C)ccc2O)c1 ZINC000000136150 383832549 /nfs/dbraw/zinc/83/25/49/383832549.db2.gz CHNWLKJYOVQXOG-UHFFFAOYSA-N -1 0 246.331 3.866 50 0 BHAARM O=C([O-])/C=C/c1cccc(Oc2ccccc2)c1 ZINC000000153702 383835985 /nfs/dbraw/zinc/83/59/85/383835985.db2.gz RYTBBLWPDBZDHT-MDZDMXLPSA-N -1 0 240.258 3.577 50 0 BHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)cs1 ZINC000000154328 342677698 /nfs/dbraw/zinc/67/76/98/342677698.db2.gz LNGAFEJENIBSLI-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM O=Cc1cc(C2CCCCC2)cc(Cl)c1[O-] ZINC000000155406 383836010 /nfs/dbraw/zinc/83/60/10/383836010.db2.gz JLNRHGFUCPRGPY-UHFFFAOYSA-N -1 0 238.714 3.906 50 0 BHAARM O=C([O-])C1(c2ccc(Cl)cc2)CCCCC1 ZINC000000156542 182425131 /nfs/dbraw/zinc/42/51/31/182425131.db2.gz UPNXUJXIIZGXLQ-UHFFFAOYSA-N -1 0 238.714 3.627 50 0 BHAARM Cc1c(Cl)cccc1-c1ccc(C(=O)[O-])o1 ZINC000000157138 342677869 /nfs/dbraw/zinc/67/78/69/342677869.db2.gz LFEBNPDEXNGTRZ-UHFFFAOYSA-N -1 0 236.654 3.607 50 0 BHAARM O=c1cc(C(F)(F)F)[n-]c2c(Cl)cccc12 ZINC000000157271 183256663 /nfs/dbraw/zinc/25/66/63/183256663.db2.gz SBVZSZNYPRWWNN-UHFFFAOYSA-N -1 0 247.603 3.613 50 0 BHAARM O=c1cc(C(F)(F)F)[n-]c2cc(Cl)ccc12 ZINC000000161359 183257289 /nfs/dbraw/zinc/25/72/89/183257289.db2.gz ZJZPFKHDRYBYBO-UHFFFAOYSA-N -1 0 247.603 3.613 50 0 BHAARM Cc1c2cc(Cl)ccc2sc1C(=O)[O-] ZINC000000161930 342678475 /nfs/dbraw/zinc/67/84/75/342678475.db2.gz KEYCXZNZFABITO-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM O=C([O-])/C=C/c1ccccc1Oc1ccccc1 ZINC000000167431 383839779 /nfs/dbraw/zinc/83/97/79/383839779.db2.gz SDXHWGNPWXDXTC-ZHACJKMWSA-N -1 0 240.258 3.577 50 0 BHAARM O=C([O-])c1[nH]c2ccccc2c1-c1ccccc1 ZINC000000168350 383839553 /nfs/dbraw/zinc/83/95/53/383839553.db2.gz FEYRMXBCLPKSIJ-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000000168462 342678908 /nfs/dbraw/zinc/67/89/08/342678908.db2.gz FIMRRWLTRBEAOM-UHFFFAOYSA-N -1 0 232.666 3.705 50 0 BHAARM O=C([O-])c1cc2cc(C(F)(F)F)ccc2s1 ZINC000000169303 182559800 /nfs/dbraw/zinc/55/98/00/182559800.db2.gz ROIKYRUNAMGSHG-UHFFFAOYSA-N -1 0 246.209 3.618 50 0 BHAARM O=c1cc(C(F)(F)F)[n-]c2ccc(Cl)cc12 ZINC000000170944 183257286 /nfs/dbraw/zinc/25/72/86/183257286.db2.gz MGEMMMJZAWYWNI-UHFFFAOYSA-N -1 0 247.603 3.613 50 0 BHAARM Cc1ccccc1Sc1ccccc1C(=O)[O-] ZINC000000173110 179316224 /nfs/dbraw/zinc/31/62/24/179316224.db2.gz YLXSMYHGUVJZLR-UHFFFAOYSA-N -1 0 244.315 3.844 50 0 BHAARM O=C([O-])c1ccccc1/C=C/c1cccs1 ZINC000000173532 182581470 /nfs/dbraw/zinc/58/14/70/182581470.db2.gz ISSJZCAENPGUEW-BQYQJAHWSA-N -1 0 230.288 3.617 50 0 BHAARM O=C([O-])c1sc2cc(Cl)ccc2c1Cl ZINC000000176157 342679284 /nfs/dbraw/zinc/67/92/84/342679284.db2.gz AAHPIJMQJAZYTM-UHFFFAOYSA-N -1 0 247.102 3.906 50 0 in-vitro BHAARM O=P([O-])(C1CCCCC1)C1CCCCC1 ZINC000000188669 398277243 /nfs/dbraw/zinc/27/72/43/398277243.db2.gz NPEWVJINTXPNRF-UHFFFAOYSA-N -1 0 230.288 3.922 50 0 BHAARM CC(/C=C/c1cccc2ccccc12)=C/C(=O)[O-] ZINC000000228004 344650478 /nfs/dbraw/zinc/65/04/78/344650478.db2.gz AKKGCFXWQWYOJF-PVHUKWJHSA-N -1 0 238.286 3.884 50 0 BHAARM CC(/C=C/c1ccc2ccccc2c1)=C/C(=O)[O-] ZINC000000231442 188272469 /nfs/dbraw/zinc/27/24/69/188272469.db2.gz GGDBPPNSJOGAGG-PBDTWZTKSA-N -1 0 238.286 3.884 50 0 BHAARM [O-]c1c(Cl)cc(Cl)c2ccc(Cl)nc12 ZINC000000235916 342680962 /nfs/dbraw/zinc/68/09/62/342680962.db2.gz QIYAAVABXPAIOZ-UHFFFAOYSA-N -1 0 248.496 3.901 50 0 BHAARM C=Cn1c(C(=O)[O-])ccc1-c1ccc(CC)cc1 ZINC000000259216 187582402 /nfs/dbraw/zinc/58/24/02/187582402.db2.gz JCKJXCLFXLNOFD-UHFFFAOYSA-N -1 0 241.290 3.516 50 0 BHAARM C=Cn1c(C(=O)[O-])ccc1-c1ccc(Cl)cc1 ZINC000000259236 383847310 /nfs/dbraw/zinc/84/73/10/383847310.db2.gz PUKWBFVMKZYCMR-UHFFFAOYSA-N -1 0 247.681 3.607 50 0 BHAARM C=Cn1c(C(=O)[O-])cc(CC)c1-c1ccccc1 ZINC000000261203 383846660 /nfs/dbraw/zinc/84/66/60/383846660.db2.gz FLAXOPKZWSUVJN-UHFFFAOYSA-N -1 0 241.290 3.516 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000000265428 383848796 /nfs/dbraw/zinc/84/87/96/383848796.db2.gz IEAPEVHCQSTXDR-FNORWQNLSA-N -1 0 248.665 3.698 50 0 BHAARM Cc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1C ZINC000000274506 383851864 /nfs/dbraw/zinc/85/18/64/383851864.db2.gz VLOXKPOAFSQOIH-UHFFFAOYSA-N -1 0 242.274 3.794 50 0 BHAARM Cc1ccc(C(C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000000282090 388586079 /nfs/dbraw/zinc/58/60/79/388586079.db2.gz DRVBWVSGMCHHOU-UHFFFAOYSA-N -1 0 240.302 3.520 50 0 BHAARM Cc1ccc2c(Cl)c(C(=O)[O-])sc2c1 ZINC000000327857 342683377 /nfs/dbraw/zinc/68/33/77/342683377.db2.gz KWGVHWHFCFSQAZ-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM O=C([O-])CCC(c1ccccc1)c1ccccc1 ZINC000000330281 383854242 /nfs/dbraw/zinc/85/42/42/383854242.db2.gz FLSBZXWDASEHJU-UHFFFAOYSA-N -1 0 240.302 3.683 50 0 BHAARM O=C([O-])C(F)=C(c1ccccc1)c1ccccc1 ZINC000000330716 383852910 /nfs/dbraw/zinc/85/29/10/383852910.db2.gz GUMRWFJERADMSX-UHFFFAOYSA-N -1 0 242.249 3.500 50 0 BHAARM O=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000000334753 342683649 /nfs/dbraw/zinc/68/36/49/342683649.db2.gz OIWHDKKVGXWDEW-UHFFFAOYSA-N -1 0 247.102 3.906 50 0 BHAARM O=C([O-])c1ccc2c(c1)Sc1ccccc1O2 ZINC000000336233 342683797 /nfs/dbraw/zinc/68/37/97/342683797.db2.gz WFQWCLKNTPDVJP-UHFFFAOYSA-N -1 0 244.271 3.642 50 0 BHAARM Cc1cc(C)c(C(=O)[O-])c(C)c1CC(C)(C)C ZINC000000345411 177849210 /nfs/dbraw/zinc/84/92/10/177849210.db2.gz ZSQNERWLNJWTHT-UHFFFAOYSA-N -1 0 234.339 3.899 50 0 BHAARM O=C([O-])c1ccc2cc(-c3ccccc3)[nH]c2c1 ZINC000000346102 342684463 /nfs/dbraw/zinc/68/44/63/342684463.db2.gz BWKYFLQHMXEKJX-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=C([O-])c1ccccc1/C=C/c1ccccc1 ZINC000000346193 342684429 /nfs/dbraw/zinc/68/44/29/342684429.db2.gz MGJDPQKVELOHMT-ZHACJKMWSA-N -1 0 224.259 3.555 50 0 BHAARM O=C([O-])c1ccccc1Sc1ccccc1F ZINC000000346841 383856252 /nfs/dbraw/zinc/85/62/52/383856252.db2.gz NVZKHYKVAZULAG-UHFFFAOYSA-N -1 0 248.278 3.675 50 0 BHAARM O=C([O-])c1ccccc1Nc1ccc(Cl)cc1 ZINC000000347210 353418290 /nfs/dbraw/zinc/41/82/90/353418290.db2.gz YZTPXKMADXYVOJ-UHFFFAOYSA-N -1 0 247.681 3.782 50 0 BHAARM Cc1c2cc(Cl)cc(Cl)c2oc1C(=O)[O-] ZINC000000351864 344719834 /nfs/dbraw/zinc/71/98/34/344719834.db2.gz YKTJGLLXEAXXDV-UHFFFAOYSA-N -1 0 245.061 3.746 50 0 BHAARM CC(C)Sc1cc(C(=O)[O-])ccc1Cl ZINC000000389072 167336086 /nfs/dbraw/zinc/33/60/86/167336086.db2.gz OMHHCDSZRSKDCC-UHFFFAOYSA-N -1 0 230.716 3.539 50 0 BHAARM O=C(c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000000389196 342685799 /nfs/dbraw/zinc/68/57/99/342685799.db2.gz TUJPRNXFVUWZAR-UHFFFAOYSA-N -1 0 248.281 3.776 50 0 BHAARM O=C([O-])C(C1CCCCC1)C1CCCCC1 ZINC000000389565 342685909 /nfs/dbraw/zinc/68/59/09/342685909.db2.gz PGGMEZOUAPIYOY-UHFFFAOYSA-N -1 0 224.344 3.848 50 0 BHAARM C[C@H]1c2ccccc2-c2ccc(C(=O)[O-])cc21 ZINC000000391650 177437847 /nfs/dbraw/zinc/43/78/47/177437847.db2.gz ACVPSAXOHIZCDV-VIFPVBQESA-N -1 0 224.259 3.517 50 0 BHAARM C[C@@H]1c2ccccc2-c2ccc(C(=O)[O-])cc21 ZINC000000391651 363293278 /nfs/dbraw/zinc/29/32/78/363293278.db2.gz ACVPSAXOHIZCDV-SECBINFHSA-N -1 0 224.259 3.517 50 0 BHAARM CC(C)CCc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000000392257 342686101 /nfs/dbraw/zinc/68/61/01/342686101.db2.gz ANHVCHYRRRCGAF-LBPRGKRZSA-N -1 0 234.339 3.853 50 0 BHAARM CC(C)CCc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000000392258 342686089 /nfs/dbraw/zinc/68/60/89/342686089.db2.gz ANHVCHYRRRCGAF-GFCCVEGCSA-N -1 0 234.339 3.853 50 0 BHAARM Cc1ccc([C@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000392279 342686173 /nfs/dbraw/zinc/68/61/73/342686173.db2.gz WHSXOWGHZWMPER-OCCSQVGLSA-N -1 0 232.323 3.744 50 0 BHAARM Cc1ccc([C@@H]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000000392280 383861789 /nfs/dbraw/zinc/86/17/89/383861789.db2.gz WHSXOWGHZWMPER-TZMCWYRMSA-N -1 0 232.323 3.744 50 0 BHAARM Cc1ccc([C@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000392281 342686064 /nfs/dbraw/zinc/68/60/64/342686064.db2.gz WHSXOWGHZWMPER-JSGCOSHPSA-N -1 0 232.323 3.744 50 0 BHAARM Cc1ccc([C@@H]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000000392282 383861631 /nfs/dbraw/zinc/86/16/31/383861631.db2.gz WHSXOWGHZWMPER-GXTWGEPZSA-N -1 0 232.323 3.744 50 0 BHAARM CC(C)(C)C1CCC(=CCC(=O)[O-])CC1 ZINC000000392283 346415761 /nfs/dbraw/zinc/41/57/61/346415761.db2.gz ACZHRJVKSYPPJR-UHFFFAOYSA-N -1 0 210.317 3.624 50 0 BHAARM CC(C)(C)c1ccc(SCCC(=O)[O-])cc1 ZINC000000392583 187300538 /nfs/dbraw/zinc/30/05/38/187300538.db2.gz UXBDUSBSAUFXCG-UHFFFAOYSA-N -1 0 238.352 3.551 50 0 BHAARM O=C([O-])CC=C(c1ccccc1)c1ccccc1 ZINC000000393115 383861808 /nfs/dbraw/zinc/86/18/08/383861808.db2.gz MGPHWSQUSKFMKT-UHFFFAOYSA-N -1 0 238.286 3.593 50 0 BHAARM Cc1c(C)c(Cl)c(C)c(Cl)c1O ZINC000000393623 342686068 /nfs/dbraw/zinc/68/60/68/342686068.db2.gz YYJLTJNUMBZDQC-UHFFFAOYSA-N -1 0 205.084 3.624 50 0 BHAARM CCc1cc(O)c(Cl)c(C)c1Cl ZINC000000393691 342686055 /nfs/dbraw/zinc/68/60/55/342686055.db2.gz GMHTUWZTSIUNIM-UHFFFAOYSA-N -1 0 205.084 3.570 50 0 BHAARM Cc1ccccc1[C@@H](CCC(C)C)C(=O)[O-] ZINC000000394128 383864272 /nfs/dbraw/zinc/86/42/72/383864272.db2.gz MNELGDYQFVCTGL-CYBMUJFWSA-N -1 0 220.312 3.599 50 0 BHAARM Cc1ccccc1[C@H](CCC(C)C)C(=O)[O-] ZINC000000394129 179340803 /nfs/dbraw/zinc/34/08/03/179340803.db2.gz MNELGDYQFVCTGL-ZDUSSCGKSA-N -1 0 220.312 3.599 50 0 BHAARM Cc1ccccc1[C@H](C(=O)[O-])C1CCCCC1 ZINC000000394136 179333278 /nfs/dbraw/zinc/33/32/78/179333278.db2.gz UVMFKMMLDQDRFS-CQSZACIVSA-N -1 0 232.323 3.744 50 0 BHAARM [S-]c1cc(Cl)c(Cl)cc1Cl ZINC000000394829 383864187 /nfs/dbraw/zinc/86/41/87/383864187.db2.gz JARIALSGFXECCH-UHFFFAOYSA-N -1 0 213.516 3.936 50 0 BHAARM CCc1ccc(C2=C/C(=C/C(=O)[O-])CCC2)cc1 ZINC000000395744 342686216 /nfs/dbraw/zinc/68/62/16/342686216.db2.gz RIBUDJRJSPBGEK-ACCUITESSA-N -1 0 242.318 3.827 50 0 BHAARM Cc1ccc(C2=C/C(=C/C(=O)[O-])CCC2)cc1 ZINC000000395756 342686362 /nfs/dbraw/zinc/68/63/62/342686362.db2.gz SRQVFHHSFLIBSB-ZRDIBKRKSA-N -1 0 228.291 3.573 50 0 BHAARM O=C([O-])c1ccc(Sc2ccccc2)cc1 ZINC000000396612 342686290 /nfs/dbraw/zinc/68/62/90/342686290.db2.gz WRZVDYSYXLKRNN-UHFFFAOYSA-N -1 0 230.288 3.536 50 0 BHAARM O=C([O-])c1cccc2c3ccccc3sc21 ZINC000000399994 342686471 /nfs/dbraw/zinc/68/64/71/342686471.db2.gz WHDBZUDFOQNASQ-UHFFFAOYSA-N -1 0 228.272 3.753 50 0 BHAARM [O-]c1c(Cl)cc(Cl)c2ccccc12 ZINC000000402846 342686691 /nfs/dbraw/zinc/68/66/91/342686691.db2.gz HVLJEMXDXOTWLV-UHFFFAOYSA-N -1 0 213.063 3.852 50 0 BHAARM C[C@@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000000402909 342686683 /nfs/dbraw/zinc/68/66/83/342686683.db2.gz RDJGLLICXDHJDY-LLVKDONJSA-N -1 0 242.274 3.667 50 0 fda BHAARM Cc1ccc(Cc2ccccc2C(=O)[O-])c(C)c1 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CC(C)(C)c1cc2c(c(C(=O)[O-])c1)CCC2(C)C ZINC000005303123 188277974 /nfs/dbraw/zinc/27/79/74/188277974.db2.gz CEQQWCGIEIQQKB-UHFFFAOYSA-N -1 0 246.350 3.906 50 0 BHAARM CC(C)(C)C[C@](C)(C(=O)[O-])C(C)(C)C ZINC000005434509 346617986 /nfs/dbraw/zinc/61/79/86/346617986.db2.gz CRLCLCBFULTTTR-GFCCVEGCSA-N -1 0 200.322 3.560 50 0 BHAARM CCCCCN(CCCCC)C(=S)[S-] ZINC000005512697 346622392 /nfs/dbraw/zinc/62/23/92/346622392.db2.gz JWHFYIKVRLMUCH-UHFFFAOYSA-N -1 0 233.446 3.884 50 0 BHAARM Cc1cc(Cl)cc(C(=O)c2ccccc2)c1[O-] ZINC000005540182 178063800 /nfs/dbraw/zinc/06/38/00/178063800.db2.gz NXYHCJJNCBKHSV-UHFFFAOYSA-N -1 0 246.693 3.585 50 0 BHAARM CC1=C(C)N(c2ccccc2)[N-]C(=S)S1 ZINC000005686186 535239176 /nfs/dbraw/zinc/23/91/76/535239176.db2.gz VDDABKUUDWBHFW-UHFFFAOYSA-N -1 0 236.365 3.692 50 0 BHAARM S=c1[n-]c2sc3ccccc3c2s1 ZINC000005731727 188103159 /nfs/dbraw/zinc/10/31/59/188103159.db2.gz JIGOAXBZURGCTJ-UHFFFAOYSA-N -1 0 223.347 3.800 50 0 BHAARM Cc1ccc(C)n1[C@H](CC(=O)[O-])C1CCCCC1 ZINC000005737372 342769018 /nfs/dbraw/zinc/76/90/18/342769018.db2.gz NMSONFQSEAJPRC-CQSZACIVSA-N -1 0 249.354 3.701 50 0 BHAARM Cc1ccc(C)n1[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000005737385 342769021 /nfs/dbraw/zinc/76/90/21/342769021.db2.gz NMSONFQSEAJPRC-AWEZNQCLSA-N -1 0 249.354 3.701 50 0 BHAARM CCCCCCc1ccc(C(=O)[O-])s1 ZINC000005792454 342770084 /nfs/dbraw/zinc/77/00/84/342770084.db2.gz PZDADHXWGFTYAK-UHFFFAOYSA-N -1 0 212.314 3.569 50 0 BHAARM CCCOCCCCCCCCCC(=O)[O-] ZINC000005835698 169308583 /nfs/dbraw/zinc/30/85/83/169308583.db2.gz HSRAJJQTYQHRSA-UHFFFAOYSA-N -1 0 230.348 3.618 50 0 in-vitro BHAARM O=C([O-])/C=C1\C=CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000005896037 384134874 /nfs/dbraw/zinc/13/48/74/384134874.db2.gz DOQSQCSWPIJYNF-BZYZDCJZSA-N -1 0 248.709 3.785 50 0 BHAARM O=C([O-])/C=C1\C=CC[C@H](c2ccc(Cl)cc2)C1 ZINC000005896091 384135778 /nfs/dbraw/zinc/13/57/78/384135778.db2.gz DOQSQCSWPIJYNF-VMPCVLLUSA-N -1 0 248.709 3.785 50 0 BHAARM CC(C)(C)[C@@H]1CCc2c(C(=O)[O-])csc2C1 ZINC000005901592 487521618 /nfs/dbraw/zinc/52/16/18/487521618.db2.gz GLZLGKPLGFUROM-MRVPVSSYSA-N -1 0 238.352 3.597 50 0 BHAARM CC(C)(C)[C@H]1CCc2c(C(=O)[O-])csc2C1 ZINC000005902443 384136658 /nfs/dbraw/zinc/13/66/58/384136658.db2.gz GLZLGKPLGFUROM-QMMMGPOBSA-N -1 0 238.352 3.597 50 0 BHAARM CC(C)(C)c1ccc2c(C(=O)[O-])csc2c1 ZINC000005904663 384137630 /nfs/dbraw/zinc/13/76/30/384137630.db2.gz GLMCOVPJTAOHEL-UHFFFAOYSA-N -1 0 234.320 3.897 50 0 BHAARM Cc1c(Cl)cc2[n-]c(=S)oc2c1Cl ZINC000006008375 342772492 /nfs/dbraw/zinc/77/24/92/342772492.db2.gz HXLKSPUYOZZJBE-UHFFFAOYSA-N -1 0 234.107 3.732 50 0 BHAARM O=C([O-])/C=C\c1ccc(-c2ccccc2Cl)o1 ZINC000006059905 182415470 /nfs/dbraw/zinc/41/54/70/182415470.db2.gz IZITWMKBFNBYRN-VURMDHGXSA-N -1 0 248.665 3.698 50 0 BHAARM O=C([O-])c1ccccc1/C=C\c1ccccc1 ZINC000006060638 355804305 /nfs/dbraw/zinc/80/43/05/355804305.db2.gz MGJDPQKVELOHMT-KHPPLWFESA-N -1 0 224.259 3.555 50 0 BHAARM O=C([O-])c1ccccc1/C=C\c1cccs1 ZINC000006192404 357017177 /nfs/dbraw/zinc/01/71/77/357017177.db2.gz ISSJZCAENPGUEW-FPLPWBNLSA-N -1 0 230.288 3.617 50 0 BHAARM CCOCCCCCCCCCCC(=O)[O-] ZINC000006403900 170367408 /nfs/dbraw/zinc/36/74/08/170367408.db2.gz RHTZJZZCRZAWHA-UHFFFAOYSA-N -1 0 230.348 3.618 50 0 BHAARM O=C([O-])c1csc2c3ccccc3sc12 ZINC000006550473 360047321 /nfs/dbraw/zinc/04/73/21/360047321.db2.gz QOYRTJXLEVDUPG-UHFFFAOYSA-N -1 0 234.301 3.814 50 0 BHAARM S=c1[n-]c2ccccc2c(=S)s1 ZINC000006583593 183313187 /nfs/dbraw/zinc/31/31/87/183313187.db2.gz QIQQPMKEDZXZEY-UHFFFAOYSA-N -1 0 211.336 3.688 50 0 BHAARM CC(C)[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000006645470 187758971 /nfs/dbraw/zinc/75/89/71/187758971.db2.gz VGSILRGEYUUGBL-LLVKDONJSA-N -1 0 226.703 3.554 50 0 BHAARM CC(C)[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000006645471 187758300 /nfs/dbraw/zinc/75/83/00/187758300.db2.gz VGSILRGEYUUGBL-NSHDSACASA-N -1 0 226.703 3.554 50 0 BHAARM C[C@@](C(=O)[O-])(c1ccccc1)C1CCCCC1 ZINC000006823833 176508331 /nfs/dbraw/zinc/50/83/31/176508331.db2.gz SYUJOANCOQHMKN-OAHLLOKOSA-N -1 0 232.323 3.609 50 0 BHAARM CCCCc1ccc(-n2cccc2C(=O)[O-])cc1 ZINC000006840815 169019400 /nfs/dbraw/zinc/01/94/00/169019400.db2.gz KBOGXULSVVVIBF-UHFFFAOYSA-N -1 0 243.306 3.518 50 0 BHAARM O=C([O-])c1ccc(-c2cccc3cccnc32)cc1 ZINC000006863640 342784994 /nfs/dbraw/zinc/78/49/94/342784994.db2.gz ZHVGZDKFCXKGQH-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 BHAARM CC(C)CCSc1ccccc1C(=O)[O-] ZINC000006883439 384171031 /nfs/dbraw/zinc/17/10/31/384171031.db2.gz UACLGFBCPUCMFP-UHFFFAOYSA-N -1 0 224.325 3.523 50 0 BHAARM O=C([O-])[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000006885485 342785669 /nfs/dbraw/zinc/78/56/69/342785669.db2.gz YSPUGNBNEKEGKB-ZDUSSCGKSA-N -1 0 246.693 3.557 50 0 BHAARM Cc1ccccc1Sc1ccc(C(=O)[O-])cc1 ZINC000006925139 179316148 /nfs/dbraw/zinc/31/61/48/179316148.db2.gz HWUWVADZGZZEPU-UHFFFAOYSA-N -1 0 244.315 3.844 50 0 BHAARM CC(C)(C)c1ccc(C(=O)[O-])c(C(C)(C)C)c1 ZINC000007023227 187248921 /nfs/dbraw/zinc/24/89/21/187248921.db2.gz PINAENFSXQEGCA-UHFFFAOYSA-N -1 0 234.339 3.980 50 0 BHAARM CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)[O-])c1 ZINC000007023237 187248405 /nfs/dbraw/zinc/24/84/05/187248405.db2.gz OHJGKKIIENYZIU-UHFFFAOYSA-N -1 0 234.339 3.980 50 0 BHAARM CCC(CC)(CC)c1ccc(C(=O)[O-])cc1 ZINC000007023242 168319098 /nfs/dbraw/zinc/31/90/98/168319098.db2.gz XLGRGWYFHBCAEX-UHFFFAOYSA-N -1 0 220.312 3.853 50 0 BHAARM CC(C)(C)c1cc(CC(=O)[O-])cc(C(C)(C)C)c1 ZINC000007023264 187249029 /nfs/dbraw/zinc/24/90/29/187249029.db2.gz VOMXJSLQKJJZSU-UHFFFAOYSA-N -1 0 248.366 3.909 50 0 BHAARM CC(C)(C)C1CCC(C(C)(C)C(=O)[O-])CC1 ZINC000007023452 166544328 /nfs/dbraw/zinc/54/43/28/166544328.db2.gz XICOROQJJSDVDH-UHFFFAOYSA-N -1 0 226.360 3.950 50 0 BHAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000008405315 342799023 /nfs/dbraw/zinc/79/90/23/342799023.db2.gz KEBLAPBLIPHXDP-UHFFFAOYSA-N -1 0 243.306 3.525 50 0 BHAARM S=C1CCSc2ccc(Cl)cc2[N-]1 ZINC000008578694 183312477 /nfs/dbraw/zinc/31/24/77/183312477.db2.gz JOUFDADZNMTYPZ-UHFFFAOYSA-N -1 0 229.757 3.575 50 0 BHAARM CC1(C)CC(=S)[N-]c2ccccc2S1 ZINC000008686058 167885397 /nfs/dbraw/zinc/88/53/97/167885397.db2.gz GXHAWMRBLUPWIB-UHFFFAOYSA-N -1 0 223.366 3.700 50 0 BHAARM O=C([O-])c1cc2c(cccc2C(F)(F)F)s1 ZINC000008730034 342803733 /nfs/dbraw/zinc/80/37/33/342803733.db2.gz BVVNCWBGCFGVAU-UHFFFAOYSA-N -1 0 246.209 3.618 50 0 BHAARM O=C([O-])c1cc2ccc(C(F)(F)F)cc2s1 ZINC000008730035 342803797 /nfs/dbraw/zinc/80/37/97/342803797.db2.gz HYHNPVVUDRTIJR-UHFFFAOYSA-N -1 0 246.209 3.618 50 0 BHAARM O=C([O-])c1cc2cccc(C(F)(F)F)c2s1 ZINC000008730036 342803880 /nfs/dbraw/zinc/80/38/80/342803880.db2.gz ZAKLURALPFCOEH-UHFFFAOYSA-N -1 0 246.209 3.618 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000008855840 384220019 /nfs/dbraw/zinc/22/00/19/384220019.db2.gz XTWCWHWCDDPEAK-SOFGYWHQSA-N -1 0 248.278 3.652 50 0 BHAARM Cc1ccc(SCc2ccc(C(=O)[O-])o2)cc1 ZINC000009260202 188104502 /nfs/dbraw/zinc/10/45/02/188104502.db2.gz YVVQCTVUNAOQNE-UHFFFAOYSA-N -1 0 248.303 3.579 50 0 BHAARM CCc1cc(C(=O)[O-])c2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000009264534 343274069 /nfs/dbraw/zinc/27/40/69/343274069.db2.gz LFLSXUKCWKQWAB-VIFPVBQESA-N -1 0 247.338 3.645 50 0 BHAARM CCc1cc(C(=O)[O-])c2c(c1)[C@H](C)CC(C)(C)N2 ZINC000009264537 343274000 /nfs/dbraw/zinc/27/40/00/343274000.db2.gz LFLSXUKCWKQWAB-SECBINFHSA-N -1 0 247.338 3.645 50 0 BHAARM Cc1ccccc1/C=C(/C(=O)[O-])c1ccccc1 ZINC000011589132 179243285 /nfs/dbraw/zinc/24/32/85/179243285.db2.gz KHANWKKJVBIUOJ-RVDMUPIBSA-N -1 0 238.286 3.620 50 0 BHAARM Cc1ccc(/C=C(/C(=O)[O-])c2ccccc2)cc1 ZINC000011589134 178352398 /nfs/dbraw/zinc/35/23/98/178352398.db2.gz GDRZOUTYRVLNHB-RVDMUPIBSA-N -1 0 238.286 3.620 50 0 BHAARM CC(C)/C(=C\C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000011628558 187249373 /nfs/dbraw/zinc/24/93/73/187249373.db2.gz LTEINPNTONYVJI-NTEUORMPSA-N -1 0 232.323 3.934 50 0 BHAARM CC(C)(C)c1ccc(CCCCC(=O)[O-])cc1 ZINC000011631144 188105361 /nfs/dbraw/zinc/10/53/61/188105361.db2.gz ADOMZIHVRVNNAC-UHFFFAOYSA-N -1 0 234.339 3.782 50 0 BHAARM O=C([O-])CCCCc1ccc(Cl)c(Cl)c1 ZINC000011631155 384292383 /nfs/dbraw/zinc/29/23/83/384292383.db2.gz RHSWIBGNIWRQNH-UHFFFAOYSA-N -1 0 247.121 3.791 50 0 BHAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)s1 ZINC000011730403 342842656 /nfs/dbraw/zinc/84/26/56/342842656.db2.gz PHEPUGXCVVHZGS-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM O=C([O-])c1ccc(-c2ccccc2Cl)s1 ZINC000011730409 182562642 /nfs/dbraw/zinc/56/26/42/182562642.db2.gz NOTFXXFIWUZPOO-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM Cc1c2cc(C(C)C)ccc2oc1C(=O)[O-] ZINC000011920442 342844585 /nfs/dbraw/zinc/84/45/85/342844585.db2.gz QXLLNILHUHYJSM-UHFFFAOYSA-N -1 0 218.252 3.563 50 0 BHAARM Cc1cc(C)cc(Oc2ccc(C(=O)[O-])cc2)c1 ZINC000011993182 177913509 /nfs/dbraw/zinc/91/35/09/177913509.db2.gz LEWICYODYSXXIA-UHFFFAOYSA-N -1 0 242.274 3.794 50 0 BHAARM O=C([O-])c1ccc(-c2ccccc2C2CC2)cc1 ZINC000012320925 350036743 /nfs/dbraw/zinc/03/67/43/350036743.db2.gz QNJOPLOFSISONO-UHFFFAOYSA-N -1 0 238.286 3.929 50 0 BHAARM Cc1c(C(C)C)sc(-n2cccc2)c1C(=O)[O-] ZINC000012404871 342851596 /nfs/dbraw/zinc/85/15/96/342851596.db2.gz OWLWEMBSINVAHN-UHFFFAOYSA-N -1 0 249.335 3.669 50 0 BHAARM CCOc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000012404908 342851548 /nfs/dbraw/zinc/85/15/48/342851548.db2.gz NZOSRHFNSDDPGE-UHFFFAOYSA-N -1 0 248.303 3.512 50 0 BHAARM Cc1cc(/C=C/C(=O)[O-])c(C)n1C1CCCCC1 ZINC000012504749 342852725 /nfs/dbraw/zinc/85/27/25/342852725.db2.gz BPFHXBYBEYVPMZ-CMDGGOBGSA-N -1 0 247.338 3.708 50 0 BHAARM O=C([O-])C1(c2cccc(Cl)c2)CCCCC1 ZINC000012505751 182425851 /nfs/dbraw/zinc/42/58/51/182425851.db2.gz IKAIZSGHPLHGLX-UHFFFAOYSA-N -1 0 238.714 3.627 50 0 BHAARM Cc1cccc2sc(C(=O)[O-])c(Cl)c21 ZINC000012505806 179234632 /nfs/dbraw/zinc/23/46/32/179234632.db2.gz GAPFLTQPRZZYET-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM CC(C)c1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000012760839 342857395 /nfs/dbraw/zinc/85/73/95/342857395.db2.gz CASMWKSPVZDRCY-UHFFFAOYSA-N -1 0 247.319 3.632 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2ccccc2F)s1 ZINC000012760931 384333690 /nfs/dbraw/zinc/33/36/90/384333690.db2.gz RKGKUJXOMYWFQX-SOFGYWHQSA-N -1 0 248.278 3.652 50 0 BHAARM CC(C)(C)c1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000012778403 384334690 /nfs/dbraw/zinc/33/46/90/384334690.db2.gz NJZGYIVRHNPBFP-UHFFFAOYSA-N -1 0 246.350 3.881 50 0 BHAARM O=C([O-])c1ccc(N=Nc2ccccc2)cc1 ZINC000012956625 368371864 /nfs/dbraw/zinc/37/18/64/368371864.db2.gz CSPTZWQFHBVOLO-UHFFFAOYSA-N -1 0 226.235 3.800 50 0 BHAARM Cc1cccc(/C=C(\C(=O)[O-])c2cccs2)c1 ZINC000013138001 179001948 /nfs/dbraw/zinc/00/19/48/179001948.db2.gz GYILLEGDYCMKQG-XFXZXTDPSA-N -1 0 244.315 3.682 50 0 BHAARM O=C([O-])c1csc(-c2ccc(Cl)cc2)c1 ZINC000013859011 342873078 /nfs/dbraw/zinc/87/30/78/342873078.db2.gz MFGBEAIHRUCLKX-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM C[C@@H]1[C@@H](c2ccccc2)C[C@@H](C(=O)[O-])C1(C)C ZINC000015188763 384273187 /nfs/dbraw/zinc/27/31/87/384273187.db2.gz YANDMRONFZDPSQ-WXHSDQCUSA-N -1 0 232.323 3.537 50 0 BHAARM C[C@@H]1[C@H](c2ccccc2)C[C@@H](C(=O)[O-])C1(C)C ZINC000015188765 342835721 /nfs/dbraw/zinc/83/57/21/342835721.db2.gz YANDMRONFZDPSQ-RTXFEEFZSA-N -1 0 232.323 3.537 50 0 BHAARM C/C(=C\[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C21)C(=O)[O-] ZINC000015657741 168091174 /nfs/dbraw/zinc/09/11/74/168091174.db2.gz FEBNTWHYQKGEIQ-SUKRRCERSA-N -1 0 234.339 3.790 50 0 endogenous,in-man BHAARM Cc1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC000016292061 384456519 /nfs/dbraw/zinc/45/65/19/384456519.db2.gz OTFAATWYAGFIAF-UHFFFAOYSA-N -1 0 243.331 3.536 50 0 BHAARM CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000016948097 342917856 /nfs/dbraw/zinc/91/78/56/342917856.db2.gz ZNNNCGUYJYUOCV-UHFFFAOYSA-N -1 0 244.290 3.942 50 0 BHAARM Cc1ccc(NC(=O)c2ccccc2)c([S-])c1 ZINC000018194547 384986137 /nfs/dbraw/zinc/98/61/37/384986137.db2.gz QAQSWLRKJNLLPT-UHFFFAOYSA-N -1 0 243.331 3.536 50 0 BHAARM C[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000019230251 343140671 /nfs/dbraw/zinc/14/06/71/343140671.db2.gz YPLFUSQRFMNDIK-LBPRGKRZSA-N -1 0 240.302 3.932 50 0 BHAARM C[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000019230252 176603425 /nfs/dbraw/zinc/60/34/25/176603425.db2.gz YPLFUSQRFMNDIK-GFCCVEGCSA-N -1 0 240.302 3.932 50 0 BHAARM [S-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000019502879 188349789 /nfs/dbraw/zinc/34/97/89/188349789.db2.gz PDIXBYFWGXOMSE-UHFFFAOYSA-N -1 0 226.304 3.519 50 0 BHAARM CC(C)c1ccc([C@H](C(=O)[O-])C(C)C)cc1 ZINC000019726421 342955023 /nfs/dbraw/zinc/95/50/23/342955023.db2.gz NMWVKYBNDRIKJU-CYBMUJFWSA-N -1 0 220.312 3.634 50 0 BHAARM CC(C)c1ccc([C@@H](C(=O)[O-])C(C)C)cc1 ZINC000019726422 167609938 /nfs/dbraw/zinc/60/99/38/167609938.db2.gz NMWVKYBNDRIKJU-ZDUSSCGKSA-N -1 0 220.312 3.634 50 0 BHAARM CC(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000019726445 167346441 /nfs/dbraw/zinc/34/64/41/167346441.db2.gz GHBQVLROVKDETD-SNVBAGLBSA-N -1 0 247.121 3.818 50 0 BHAARM CC(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000019726446 188107829 /nfs/dbraw/zinc/10/78/29/188107829.db2.gz GHBQVLROVKDETD-JTQLQIEISA-N -1 0 247.121 3.818 50 0 BHAARM O=C([O-])[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000019726567 342954952 /nfs/dbraw/zinc/95/49/52/342954952.db2.gz CQPSXVNFHFEGJV-LBPRGKRZSA-N -1 0 238.714 3.698 50 0 BHAARM O=C([O-])[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000019726568 342954917 /nfs/dbraw/zinc/95/49/17/342954917.db2.gz CQPSXVNFHFEGJV-GFCCVEGCSA-N -1 0 238.714 3.698 50 0 BHAARM Cc1ccc([C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000019726597 384534687 /nfs/dbraw/zinc/53/46/87/384534687.db2.gz MXYPZUQYVGICGS-CQSZACIVSA-N -1 0 232.323 3.744 50 0 BHAARM Cc1ccc([C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000019726598 384534446 /nfs/dbraw/zinc/53/44/46/384534446.db2.gz MXYPZUQYVGICGS-AWEZNQCLSA-N -1 0 232.323 3.744 50 0 BHAARM CC(C)c1ccc(C(C)C)c(C(=O)[O-])c1 ZINC000019801546 342958169 /nfs/dbraw/zinc/95/81/69/342958169.db2.gz BMTSOIOUIJOFJP-UHFFFAOYSA-N -1 0 206.285 3.632 50 0 BHAARM C[C@@H](Oc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000020080458 176003633 /nfs/dbraw/zinc/00/36/33/176003633.db2.gz XOSZAPCYWBTAOA-LLVKDONJSA-N -1 0 242.274 3.525 50 0 BHAARM C[C@H](Oc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000020080461 177022484 /nfs/dbraw/zinc/02/24/84/177022484.db2.gz XOSZAPCYWBTAOA-NSHDSACASA-N -1 0 242.274 3.525 50 0 BHAARM CCc1cc(C(=O)[O-])c2c(c1)C(C)=CC(C)(C)N2 ZINC000020134407 342971116 /nfs/dbraw/zinc/97/11/16/342971116.db2.gz NYBZVKNLJUZWBV-UHFFFAOYSA-N -1 0 245.322 3.555 50 0 BHAARM CC(C)c1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000020285249 342980529 /nfs/dbraw/zinc/98/05/29/342980529.db2.gz NGAINRAEGWSQPY-UHFFFAOYSA-N -1 0 232.323 3.706 50 0 BHAARM CCc1cc(C(=O)[O-])sc1-c1ccccc1 ZINC000020329054 171755916 /nfs/dbraw/zinc/75/59/16/171755916.db2.gz DSTPOYHSXHUJHS-UHFFFAOYSA-N -1 0 232.304 3.676 50 0 BHAARM CCC(=O)C=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000020375359 582459318 /nfs/dbraw/zinc/45/93/18/582459318.db2.gz NRMZQGUUPQWZEO-UHFFFAOYSA-N -1 0 245.105 3.545 50 0 BHAARM CCC(=O)C=C([O-])c1cc(Cl)ccc1Cl ZINC000020375641 583129966 /nfs/dbraw/zinc/12/99/66/583129966.db2.gz PYVRMBWUQPPGIR-UHFFFAOYSA-N -1 0 245.105 3.545 50 0 BHAARM CCC(=O)C=C([O-])c1ccc(Cl)cc1Cl ZINC000020375848 582459457 /nfs/dbraw/zinc/45/94/57/582459457.db2.gz NCOUSKHYAJVCSN-UHFFFAOYSA-N -1 0 245.105 3.545 50 0 BHAARM CCc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000020390986 397964208 /nfs/dbraw/zinc/96/42/08/397964208.db2.gz CHQHBOMSKFIMJY-UHFFFAOYSA-N -1 0 226.275 3.614 50 0 BHAARM O=C([O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000020391191 182570983 /nfs/dbraw/zinc/57/09/83/182570983.db2.gz KFOAXWSLHHLZQB-UHFFFAOYSA-N -1 0 248.665 3.831 50 0 BHAARM O=C([O-])c1ccc(Cl)c(-c2ccccc2)c1 ZINC000020397749 182567329 /nfs/dbraw/zinc/56/73/29/182567329.db2.gz YVUUMTVLLLZDAL-UHFFFAOYSA-N -1 0 232.666 3.705 50 0 BHAARM O=C([O-])c1cc(-c2ccccc2)ccc1Cl ZINC000020397755 342984901 /nfs/dbraw/zinc/98/49/01/342984901.db2.gz VQEKSOLICHLCHS-UHFFFAOYSA-N -1 0 232.666 3.705 50 0 BHAARM O=C([O-])c1cc(Cl)cc(-c2ccccc2)c1 ZINC000020397761 342984756 /nfs/dbraw/zinc/98/47/56/342984756.db2.gz GOVBCPARFFKQIO-UHFFFAOYSA-N -1 0 232.666 3.705 50 0 BHAARM [S-]c1ccc(Oc2ccccc2)cc1 ZINC000020431085 397964881 /nfs/dbraw/zinc/96/48/81/397964881.db2.gz VUFOTXYLUWEYFC-UHFFFAOYSA-N -1 0 202.278 3.768 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000020432657 178322754 /nfs/dbraw/zinc/32/27/54/178322754.db2.gz DPTMNNPYLZJREA-UHFFFAOYSA-N -1 0 232.304 3.730 50 0 BHAARM Cc1cc(C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000020432664 187935960 /nfs/dbraw/zinc/93/59/60/187935960.db2.gz APIVPPCSAVQTDT-UHFFFAOYSA-N -1 0 236.267 3.561 50 0 BHAARM CCCCCn1cc(C(=O)[O-])c2ccccc21 ZINC000020582724 342991888 /nfs/dbraw/zinc/99/18/88/342991888.db2.gz HAPJUNILBCTRIJ-UHFFFAOYSA-N -1 0 231.295 3.530 50 0 in-vitro BHAARM CC(C)c1ccc(-c2n[n-]c(=S)o2)cc1 ZINC000020584085 342991701 /nfs/dbraw/zinc/99/17/01/342991701.db2.gz APBJYSLYRXZFJK-UHFFFAOYSA-N -1 0 220.297 3.523 50 0 BHAARM CCC(C)(C)C1CCC(=CC(=O)[O-])CC1 ZINC000021504341 590192026 /nfs/dbraw/zinc/19/20/26/590192026.db2.gz PCNXVOUXZRYSAO-UHFFFAOYSA-N -1 0 210.317 3.624 50 0 BHAARM CCN(c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000021510583 343014763 /nfs/dbraw/zinc/01/47/63/343014763.db2.gz WHOYKJXJCOWAKE-UHFFFAOYSA-N -1 0 241.290 3.543 50 0 BHAARM CCC(C)(C)C1CCC(CC(=O)[O-])CC1 ZINC000021518410 168270352 /nfs/dbraw/zinc/27/03/52/168270352.db2.gz ROHHLOLAGSKPNN-UHFFFAOYSA-N -1 0 212.333 3.704 50 0 BHAARM O=C([O-])c1cc(-c2cccs2)ccc1Cl ZINC000021950840 343029384 /nfs/dbraw/zinc/02/93/84/343029384.db2.gz QYSJERLNZVWQRB-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM O=C([O-])c1ccc2c(c1)[nH]cc2C1CCCCC1 ZINC000022010831 347600277 /nfs/dbraw/zinc/60/02/77/347600277.db2.gz OZJSQVKDKOOQIT-UHFFFAOYSA-N -1 0 243.306 3.914 50 0 BHAARM CC1=CC(C)(C)Nc2ccc([S-])cc21 ZINC000023411128 168093173 /nfs/dbraw/zinc/09/31/73/168093173.db2.gz NQVSNVJWJKIBRG-UHFFFAOYSA-N -1 0 205.326 3.583 50 0 BHAARM CCCCSc1cc(C(=O)[O-])ccc1Cl ZINC000025725562 359312563 /nfs/dbraw/zinc/31/25/63/359312563.db2.gz NLJZCBWUKAMAJS-UHFFFAOYSA-N -1 0 244.743 3.930 50 0 BHAARM CC(C)(C)c1ccc2oc(=S)[n-]c2c1 ZINC000026439829 384872822 /nfs/dbraw/zinc/87/28/22/384872822.db2.gz OIOGHWZPVMHTEA-UHFFFAOYSA-N -1 0 207.298 3.788 50 0 BHAARM O=C([O-])c1cscc1-c1ccc(Cl)cc1 ZINC000026545112 343106807 /nfs/dbraw/zinc/10/68/07/343106807.db2.gz WKYNENLAUDTPMU-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM C[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000028711044 371638123 /nfs/dbraw/zinc/63/81/23/371638123.db2.gz YTUMWOBUZOYYJQ-NSHDSACASA-N -1 0 232.323 3.922 50 0 in-man BHAARM O=C([O-])C1(C2CCCCC2)CCCCC1 ZINC000031361588 385056875 /nfs/dbraw/zinc/05/68/75/385056875.db2.gz SJSRFXJWBKOROD-UHFFFAOYSA-N -1 0 210.317 3.602 50 0 in-vitro BHAARM O=C([O-])c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000031997548 343227695 /nfs/dbraw/zinc/22/76/95/343227695.db2.gz LHQTVFZTJQJXMP-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 BHAARM O=C([O-])c1cc2cc(-c3ccccc3)ccc2[nH]1 ZINC000032003100 182560313 /nfs/dbraw/zinc/56/03/13/182560313.db2.gz ZFGZSZKIDKLLQE-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM CC(C)(C(=O)[O-])c1cccc(-c2ccccc2)c1 ZINC000032003141 343227638 /nfs/dbraw/zinc/22/76/38/343227638.db2.gz INYBFLCSYFMZJA-UHFFFAOYSA-N -1 0 240.302 3.716 50 0 BHAARM Cc1ccc(C)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000032015175 178460728 /nfs/dbraw/zinc/46/07/28/178460728.db2.gz ABYDLDPPTUIJHA-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM O=C([O-])c1cc2sccc2n1C1CCCC1 ZINC000032501250 350202144 /nfs/dbraw/zinc/20/21/44/350202144.db2.gz ODOXFYKGWYFYII-UHFFFAOYSA-N -1 0 235.308 3.516 50 0 BHAARM O=C([O-])c1cccnc1-c1cccc2ccccc21 ZINC000032580966 343237898 /nfs/dbraw/zinc/23/78/98/343237898.db2.gz MNDKZCQQWWXOGP-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 BHAARM O=C([O-])c1cc2c(s1)-c1ccccc1SC2 ZINC000032919133 343244535 /nfs/dbraw/zinc/24/45/35/343244535.db2.gz DSLNPJCJIWZKMV-UHFFFAOYSA-N -1 0 248.328 3.719 50 0 BHAARM O=C([O-])/C=C\c1cccc(Oc2ccccc2)c1 ZINC000033290852 385221691 /nfs/dbraw/zinc/22/16/91/385221691.db2.gz RYTBBLWPDBZDHT-KTKRTIGZSA-N -1 0 240.258 3.577 50 0 BHAARM O=C([O-])c1ccc2nc(C3CCCCC3)oc2c1 ZINC000033420210 343253924 /nfs/dbraw/zinc/25/39/24/343253924.db2.gz SLTOJZPUDOLWKT-UHFFFAOYSA-N -1 0 245.278 3.574 50 0 BHAARM Cc1cccc(C)c1-c1cccc(C(=O)[O-])c1 ZINC000033427276 179028721 /nfs/dbraw/zinc/02/87/21/179028721.db2.gz GYAKPFZFMPRKKS-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1cc(C)c(-c2ccccc2C(=O)[O-])c(C)c1 ZINC000033427531 582673561 /nfs/dbraw/zinc/67/35/61/582673561.db2.gz GAQABVRYHABODI-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1cc(C)c(-c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000033427532 582673519 /nfs/dbraw/zinc/67/35/19/582673519.db2.gz RGYPBKAMMGRADI-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1cc(C)c(-c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000033427533 384998581 /nfs/dbraw/zinc/99/85/81/384998581.db2.gz QMHHTHIWRXMBCG-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM CC(C)(C)c1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000033465190 385237795 /nfs/dbraw/zinc/23/77/95/385237795.db2.gz QQYHEVCCHANDBL-UHFFFAOYSA-N -1 0 234.339 3.736 50 0 BHAARM O=C([O-])c1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033465922 182574565 /nfs/dbraw/zinc/57/45/65/182574565.db2.gz MGJLRWLKXHCPNQ-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=C([O-])c1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033465923 355370077 /nfs/dbraw/zinc/37/00/77/355370077.db2.gz PSCRBJAULXKESG-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=C([O-])/C=C\c1ccc(-c2ccccc2)s1 ZINC000033573531 642227626 /nfs/dbraw/zinc/22/76/26/642227626.db2.gz UMDVSCUPOVDRQE-CLFYSBASSA-N -1 0 230.288 3.513 50 0 BHAARM O=C([O-])c1ccc(/C=C/c2ccccc2)cc1 ZINC000033759110 343260239 /nfs/dbraw/zinc/26/02/39/343260239.db2.gz IAGXTPCOGVFRSQ-VOTSOKGWSA-N -1 0 224.259 3.555 50 0 BHAARM CCCC(=O)c1ccc([O-])c(Cl)c1Cl ZINC000034225936 350261086 /nfs/dbraw/zinc/26/10/86/350261086.db2.gz MRAKITVQDPSLMI-UHFFFAOYSA-N -1 0 233.094 3.682 50 0 BHAARM CCOc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000034238063 343267092 /nfs/dbraw/zinc/26/70/92/343267092.db2.gz MOYWXOIHUAIRAN-UHFFFAOYSA-N -1 0 248.303 3.512 50 0 BHAARM CCc1ccc(Nc2ccccc2C(=O)[O-])cc1 ZINC000034286413 171822675 /nfs/dbraw/zinc/82/26/75/171822675.db2.gz MUCDJIXUVULPDP-UHFFFAOYSA-N -1 0 241.290 3.691 50 0 BHAARM CCCC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000034439919 346284109 /nfs/dbraw/zinc/28/41/09/346284109.db2.gz ZBQYIWIVTXAGCM-UHFFFAOYSA-N -1 0 233.094 3.682 50 0 BHAARM CC(C)(C)C(F)(F)c1ccc(C(=O)[O-])cc1 ZINC000034504066 343273255 /nfs/dbraw/zinc/27/32/55/343273255.db2.gz IFVKRWITXNTROR-UHFFFAOYSA-N -1 0 228.238 3.523 50 0 BHAARM O=C([O-])c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000034538924 343274328 /nfs/dbraw/zinc/27/43/28/343274328.db2.gz ICBGRQBEFICVLK-UHFFFAOYSA-N -1 0 248.665 3.831 50 0 BHAARM CC(C)=CCCC1=CC[C@H](C(=O)[O-])CC1 ZINC000034741393 187257403 /nfs/dbraw/zinc/25/74/03/187257403.db2.gz RUAHWVXDDZKWNU-LBPRGKRZSA-N -1 0 208.301 3.544 50 0 BHAARM CC(C)=CCCC1=CC[C@@H](C(=O)[O-])CC1 ZINC000034741394 187257535 /nfs/dbraw/zinc/25/75/35/187257535.db2.gz RUAHWVXDDZKWNU-GFCCVEGCSA-N -1 0 208.301 3.544 50 0 BHAARM COc1c(C(C)C)cc(C(=O)[O-])cc1C(C)C ZINC000034760137 174919077 /nfs/dbraw/zinc/91/90/77/174919077.db2.gz IIDVLGKHIXHIMH-UHFFFAOYSA-N -1 0 236.311 3.640 50 0 BHAARM O=C([O-])c1ccc2ccc(-c3ccccc3)nc2c1 ZINC000034784684 343278520 /nfs/dbraw/zinc/27/85/20/343278520.db2.gz KCKFTFSVGYDHAW-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1F ZINC000034974629 582569456 /nfs/dbraw/zinc/56/94/56/582569456.db2.gz LDJAMQMBCZLKTC-UHFFFAOYSA-N -1 0 236.267 3.561 50 0 BHAARM Cc1c2cccc(Cl)c2sc1C(=O)[O-] ZINC000034975087 343282342 /nfs/dbraw/zinc/28/23/42/343282342.db2.gz JXEJPBOIKNNLQX-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM CC(C)(C)C(=O)C=C([O-])c1ccc(Cl)s1 ZINC000035286002 642387342 /nfs/dbraw/zinc/38/73/42/642387342.db2.gz ICKWGMYXUWVTHF-UHFFFAOYSA-N -1 0 244.743 3.590 50 0 BHAARM CCC(CC)[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000036139881 168399125 /nfs/dbraw/zinc/39/91/25/168399125.db2.gz VVKYQXWUDIBXJQ-CYBMUJFWSA-N -1 0 238.302 3.820 50 0 BHAARM CCC(CC)[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000036139883 383883889 /nfs/dbraw/zinc/88/38/89/383883889.db2.gz VVKYQXWUDIBXJQ-ZDUSSCGKSA-N -1 0 238.302 3.820 50 0 BHAARM CCC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000036139892 169375208 /nfs/dbraw/zinc/37/52/08/169375208.db2.gz GSSBSZFPTQRYBV-JTQLQIEISA-N -1 0 226.703 3.698 50 0 BHAARM CCC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000036139895 387247248 /nfs/dbraw/zinc/24/72/48/387247248.db2.gz GSSBSZFPTQRYBV-SNVBAGLBSA-N -1 0 226.703 3.698 50 0 BHAARM CC[C@@H](CC(=O)[O-])c1ccc(CC(C)C)cc1 ZINC000036140357 170814724 /nfs/dbraw/zinc/81/47/24/170814724.db2.gz ANCNWCSUQJUYNG-ZDUSSCGKSA-N -1 0 234.339 3.853 50 0 BHAARM CC[C@H](CC(=O)[O-])c1ccc(CC(C)C)cc1 ZINC000036140359 383882495 /nfs/dbraw/zinc/88/24/95/383882495.db2.gz ANCNWCSUQJUYNG-CYBMUJFWSA-N -1 0 234.339 3.853 50 0 BHAARM O=C([O-])c1cccc(-c2nccc3ccccc32)c1 ZINC000036155061 343310898 /nfs/dbraw/zinc/31/08/98/343310898.db2.gz GUMXPUUWTAFHEG-UHFFFAOYSA-N -1 0 249.269 3.600 50 0 BHAARM CCC(CC)/C(=C\C(=O)[O-])c1ccc(F)cc1 ZINC000036163708 168332837 /nfs/dbraw/zinc/33/28/37/168332837.db2.gz QPLJTXMDSLAXCS-UKTHLTGXSA-N -1 0 236.286 3.730 50 0 BHAARM O=C([O-])/C=C(/c1ccc(F)cc1)C1CCCCC1 ZINC000036171830 383885336 /nfs/dbraw/zinc/88/53/36/383885336.db2.gz HVYVUSYVNROKRA-GXDHUFHOSA-N -1 0 248.297 3.874 50 0 BHAARM Cc1c2cc(C)c(C)cc2sc1C(=O)[O-] ZINC000036928807 178307175 /nfs/dbraw/zinc/30/71/75/178307175.db2.gz CLGVPJKKIFLXCK-UHFFFAOYSA-N -1 0 220.293 3.525 50 0 BHAARM CC(C)c1cccc(-c2ccc(C(=O)[O-])o2)c1 ZINC000036929534 167629122 /nfs/dbraw/zinc/62/91/22/167629122.db2.gz GEUBXEQMYSSKGM-UHFFFAOYSA-N -1 0 230.263 3.768 50 0 BHAARM Cc1cc(Cl)ccc1-c1ccc(C(=O)[O-])o1 ZINC000036984543 178064705 /nfs/dbraw/zinc/06/47/05/178064705.db2.gz FRWPCRSHODWUNA-UHFFFAOYSA-N -1 0 236.654 3.607 50 0 BHAARM Cc1ccccc1/C=C(\C(=O)[O-])c1ccccc1 ZINC000037375257 179243640 /nfs/dbraw/zinc/24/36/40/179243640.db2.gz KHANWKKJVBIUOJ-PTNGSMBKSA-N -1 0 238.286 3.620 50 0 BHAARM Cc1cc(C)cc(-c2ccccc2C(=O)[O-])c1 ZINC000038068098 384064065 /nfs/dbraw/zinc/06/40/65/384064065.db2.gz YSTSEEODNZVFEJ-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccc(F)c(-c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000038068139 343368566 /nfs/dbraw/zinc/36/85/66/343368566.db2.gz HVZMZAJJKTZEDS-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(F)ccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC000038068191 178080504 /nfs/dbraw/zinc/08/05/04/178080504.db2.gz UZZPIRDMOWFESJ-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(F)ccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC000038068192 178080156 /nfs/dbraw/zinc/08/01/56/178080156.db2.gz FONVBULAKGQXQQ-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000038068203 343368478 /nfs/dbraw/zinc/36/84/78/343368478.db2.gz YHBBLLCQZCJYRJ-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000038068204 343368529 /nfs/dbraw/zinc/36/85/29/343368529.db2.gz BAIDWRMRVGPTLP-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000038068713 178326993 /nfs/dbraw/zinc/32/69/93/178326993.db2.gz UMORCGAQBRIKAF-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000038068788 178322493 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RQFGMCIZIKLPOY-AWEZNQCLSA-N -1 0 232.323 3.744 50 0 BHAARM O=C([O-])C1(CCc2ccccc2)CCCCC1 ZINC000041259274 384184588 /nfs/dbraw/zinc/18/45/88/384184588.db2.gz YBPPWOLVLAYLSA-UHFFFAOYSA-N -1 0 232.323 3.654 50 0 BHAARM O=C([O-])C1(Cc2cccc(Cl)c2)CCCC1 ZINC000041280908 384184458 /nfs/dbraw/zinc/18/44/58/384184458.db2.gz CBHZQTFACJLHQR-UHFFFAOYSA-N -1 0 238.714 3.528 50 0 BHAARM O=C([O-])C1(Cc2ccc(Cl)cc2)CCCC1 ZINC000041280924 182422756 /nfs/dbraw/zinc/42/27/56/182422756.db2.gz PPILKNABXPXPKU-UHFFFAOYSA-N -1 0 238.714 3.528 50 0 BHAARM Cc1cc(C)cc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000041283708 177888602 /nfs/dbraw/zinc/88/86/02/177888602.db2.gz OOHTVAZDYJTVRC-UHFFFAOYSA-N -1 0 240.302 3.598 50 0 BHAARM Cc1ccc(-c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000041283710 538975410 /nfs/dbraw/zinc/97/54/10/538975410.db2.gz LSGPUIOBRSDQGT-UHFFFAOYSA-N -1 0 240.302 3.598 50 0 BHAARM CC(C)c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000041722498 322836227 /nfs/dbraw/zinc/83/62/27/322836227.db2.gz YIBYCRXAHGVUTO-UHFFFAOYSA-N -1 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O=C([O-])/C=C/c1cc(-c2ccccc2)cs1 ZINC000044201273 385196575 /nfs/dbraw/zinc/19/65/75/385196575.db2.gz XWCDCMPNKPBHNU-VOTSOKGWSA-N -1 0 230.288 3.513 50 0 BHAARM O=C([O-])c1cccc(Cl)c1Oc1ccccc1 ZINC000044559910 356372324 /nfs/dbraw/zinc/37/23/24/356372324.db2.gz BPAFTJNLMQWIBU-UHFFFAOYSA-N -1 0 248.665 3.831 50 0 BHAARM C=CCCCC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000045074594 387276320 /nfs/dbraw/zinc/27/63/20/387276320.db2.gz JZHWLMQJEHZIBY-OAHLLOKOSA-N -1 0 232.323 3.775 50 0 BHAARM C=CCCCC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000045074595 262790546 /nfs/dbraw/zinc/79/05/46/262790546.db2.gz JZHWLMQJEHZIBY-HNNXBMFYSA-N -1 0 232.323 3.775 50 0 BHAARM O=C([O-])c1ccc(-c2ccccc2)cc1Cl ZINC000047207383 343559153 /nfs/dbraw/zinc/55/91/53/343559153.db2.gz SIJOLCGREMQDIW-UHFFFAOYSA-N -1 0 232.666 3.705 50 0 BHAARM O=C([O-])c1ccc(-c2ccc(Cl)s2)cc1 ZINC000047476120 182561052 /nfs/dbraw/zinc/56/10/52/182561052.db2.gz HHYWNBOMTAPIOO-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM O=C([O-])c1cccc(-c2ccc(Cl)s2)c1 ZINC000047476122 343562367 /nfs/dbraw/zinc/56/23/67/343562367.db2.gz JCMOFFGOSHROSN-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM CCC/C(=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000048533910 368378366 /nfs/dbraw/zinc/37/83/66/368378366.db2.gz FRXPKLMORKEMQS-JXMROGBWSA-N -1 0 224.687 3.608 50 0 BHAARM Cc1ccc([C@@H]2CCC/C(=C\C(=O)[O-])C2)cc1 ZINC000048545005 385665007 /nfs/dbraw/zinc/66/50/07/385665007.db2.gz DNMMIQIIGKAQOH-IEZBTEQYSA-N -1 0 230.307 3.664 50 0 BHAARM Cc1ccc([C@H]2CCC/C(=C\C(=O)[O-])C2)cc1 ZINC000048545006 385664698 /nfs/dbraw/zinc/66/46/98/385664698.db2.gz DNMMIQIIGKAQOH-WONIAPNHSA-N -1 0 230.307 3.664 50 0 BHAARM O=C([O-])/C=C/c1ccc(-c2ccsc2)s1 ZINC000048545129 368378701 /nfs/dbraw/zinc/37/87/01/368378701.db2.gz JDZHTNIDPXMJRA-DUXPYHPUSA-N -1 0 236.317 3.574 50 0 BHAARM CC(C)n1cc(CCCC(=O)[O-])c2ccccc21 ZINC000049453174 167746022 /nfs/dbraw/zinc/74/60/22/167746022.db2.gz INLKUYUZFUEGOQ-UHFFFAOYSA-N -1 0 245.322 3.630 50 0 BHAARM Cc1cccc(-c2cccc(C(=O)[O-])c2)c1C ZINC000049820422 384569459 /nfs/dbraw/zinc/56/94/59/384569459.db2.gz NZCHUDYYICLURF-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1sc(C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000049827951 384572720 /nfs/dbraw/zinc/57/27/20/384572720.db2.gz JXNYHJRYTXQDTG-UHFFFAOYSA-N -1 0 236.267 3.561 50 0 BHAARM CC(=O)C=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000049831878 384571369 /nfs/dbraw/zinc/57/13/69/384571369.db2.gz BSVRBWSTENVTPL-UHFFFAOYSA-N -1 0 244.334 3.896 50 0 BHAARM Cc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1F ZINC000049840843 178081150 /nfs/dbraw/zinc/08/11/50/178081150.db2.gz FUVOMDPCBPLUTC-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000049840844 384575902 /nfs/dbraw/zinc/57/59/02/384575902.db2.gz NUQVQUHKAMKXRD-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM CC(=O)c1c([O-])c(Cl)cc(Cl)c1Cl ZINC000052066174 350901804 /nfs/dbraw/zinc/90/18/04/350901804.db2.gz WUFXNJJZTWDDJL-UHFFFAOYSA-N -1 0 239.485 3.555 50 0 BHAARM CCCC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000052068490 350901870 /nfs/dbraw/zinc/90/18/70/350901870.db2.gz ZRFPPUXLCHCKCT-UHFFFAOYSA-N -1 0 233.094 3.682 50 0 BHAARM CC(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000052068491 632062074 /nfs/dbraw/zinc/06/20/74/632062074.db2.gz ROHIXAFYLJBHSG-UHFFFAOYSA-N -1 0 233.094 3.538 50 0 BHAARM CC(C)(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000052068555 711603321 /nfs/dbraw/zinc/60/33/21/711603321.db2.gz ZMIMCCRFQBVBIY-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)CC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000052068556 711602778 /nfs/dbraw/zinc/60/27/78/711602778.db2.gz AKAOTMZAYPBLOB-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM O=C([O-])c1cccc(F)c1Sc1ccccc1 ZINC000054205796 384825627 /nfs/dbraw/zinc/82/56/27/384825627.db2.gz JIZJNRZGBLOIBH-UHFFFAOYSA-N -1 0 248.278 3.675 50 0 BHAARM CCCCCC[C@@](C)(CCC)C(=O)[O-] ZINC000054632648 168677997 /nfs/dbraw/zinc/67/79/97/168677997.db2.gz UWLMCYVBNXGUFL-GFCCVEGCSA-N -1 0 200.322 3.848 50 0 BHAARM CCCCCC[C@](C)(CCC)C(=O)[O-] ZINC000054632650 384847250 /nfs/dbraw/zinc/84/72/50/384847250.db2.gz UWLMCYVBNXGUFL-LBPRGKRZSA-N -1 0 200.322 3.848 50 0 BHAARM CCCCC(CC)(CCCC)C(=O)[O-] ZINC000054633018 168630231 /nfs/dbraw/zinc/63/02/31/168630231.db2.gz UDIMEPZRBOMNAG-UHFFFAOYSA-N -1 0 200.322 3.848 50 0 BHAARM CCCCCCC(CC)(CC)C(=O)[O-] ZINC000054633179 384847013 /nfs/dbraw/zinc/84/70/13/384847013.db2.gz GCXPWMYZEFIFNC-UHFFFAOYSA-N -1 0 200.322 3.848 50 0 BHAARM Cc1ccccc1CSc1ccc(C(=O)[O-])o1 ZINC000054963720 179286745 /nfs/dbraw/zinc/28/67/45/179286745.db2.gz FCGAAWYNYYKACU-UHFFFAOYSA-N -1 0 248.303 3.579 50 0 BHAARM O=C([O-])c1cccc(-c2cccc3[nH]ccc32)c1 ZINC000054965438 384860598 /nfs/dbraw/zinc/86/05/98/384860598.db2.gz JIDDTZCMXFNWAB-UHFFFAOYSA-N -1 0 237.258 3.533 50 0 BHAARM O=c1cc(C(F)F)[n-]c2ccc(Cl)cc12 ZINC000061629424 183256951 /nfs/dbraw/zinc/25/69/51/183256951.db2.gz PRUGMEQMQJSQSK-UHFFFAOYSA-N -1 0 229.613 3.531 50 0 BHAARM O=C([O-])[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000062619088 384826019 /nfs/dbraw/zinc/82/60/19/384826019.db2.gz UBMXBPQXGJCEKV-NWDGAFQWSA-N -1 0 238.714 3.698 50 0 BHAARM Cc1ccc(SC2CCCC2)c(C(=O)[O-])c1 ZINC000062829108 188487092 /nfs/dbraw/zinc/48/70/92/188487092.db2.gz XKYZIRKTTULULG-UHFFFAOYSA-N -1 0 236.336 3.728 50 0 BHAARM Cc1ccc(C(=O)[O-])c(SC2CCCC2)c1 ZINC000062831353 385191752 /nfs/dbraw/zinc/19/17/52/385191752.db2.gz DYZBKRYWIXCCKD-UHFFFAOYSA-N -1 0 236.336 3.728 50 0 BHAARM CCc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336916 398083132 /nfs/dbraw/zinc/08/31/32/398083132.db2.gz GPPCSEBXFMEWTB-UHFFFAOYSA-N -1 0 226.275 3.614 50 0 BHAARM CCc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000065336917 398083389 /nfs/dbraw/zinc/08/33/89/398083389.db2.gz LIOMBQKACCJAHQ-UHFFFAOYSA-N -1 0 226.275 3.614 50 0 BHAARM CSc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000065336919 175581735 /nfs/dbraw/zinc/58/17/35/175581735.db2.gz BAFFLHNQRDYNJA-UHFFFAOYSA-N -1 0 244.315 3.774 50 0 BHAARM CSc1ccccc1-c1ccccc1C(=O)[O-] ZINC000065339757 398083409 /nfs/dbraw/zinc/08/34/09/398083409.db2.gz WPNXPSYCZSXYTH-UHFFFAOYSA-N -1 0 244.315 3.774 50 0 BHAARM O=C([O-])c1cc(Cl)cc(-c2cccs2)c1 ZINC000065349412 182554424 /nfs/dbraw/zinc/55/44/24/182554424.db2.gz GLHZROZJLPKPCJ-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM O=C([O-])c1cc(Cl)cc(-c2ccsc2)c1 ZINC000065349439 182554254 /nfs/dbraw/zinc/55/42/54/182554254.db2.gz DBEVKQVIXLICPW-UHFFFAOYSA-N -1 0 238.695 3.767 50 0 BHAARM Cc1ccccc1-c1ccc(C(=O)[O-])cc1C ZINC000065349445 179235951 /nfs/dbraw/zinc/23/59/51/179235951.db2.gz ZGBAXFOVTPCBRW-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccccc1-c1cccc(C(=O)[O-])c1C ZINC000065349446 179237351 /nfs/dbraw/zinc/23/73/51/179237351.db2.gz POCKWWUPOFGQDP-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1cccc(-c2ccc(C(=O)[O-])cc2C)c1 ZINC000065349464 385301254 /nfs/dbraw/zinc/30/12/54/385301254.db2.gz WOHKBTCOGNYIAZ-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1 ZINC000065349481 178322859 /nfs/dbraw/zinc/32/28/59/178322859.db2.gz LHCCZUSKOCWOFZ-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccc(-c2ccc(C)cc2C(=O)[O-])cc1 ZINC000065349483 178324263 /nfs/dbraw/zinc/32/42/63/178324263.db2.gz XQGAYWVPAVKFBR-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Cc1ccc(C)c(-c2cccc(C(=O)[O-])c2C)c1 ZINC000065349785 385300561 /nfs/dbraw/zinc/30/05/61/385300561.db2.gz AMAQFQINEAJOEJ-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1ccc(-c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000065349823 178327034 /nfs/dbraw/zinc/32/70/34/178327034.db2.gz NBESNFBLRRAOJS-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)c(C)c1 ZINC000065349829 178322089 /nfs/dbraw/zinc/32/20/89/178322089.db2.gz BTDUTLXSYLSHSE-UHFFFAOYSA-N -1 0 244.265 3.808 50 0 BHAARM Cc1cc(C)cc(-c2ccc(C(=O)[O-])cc2C)c1 ZINC000065349841 177888629 /nfs/dbraw/zinc/88/86/29/177888629.db2.gz VVOZWOSSANZQEE-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1cc(C)cc(-c2cccc(C(=O)[O-])c2C)c1 ZINC000065349842 385301001 /nfs/dbraw/zinc/30/10/01/385301001.db2.gz MOHYENBSUVGRBZ-UHFFFAOYSA-N -1 0 240.302 3.977 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1F ZINC000065350072 178322895 /nfs/dbraw/zinc/32/28/95/178322895.db2.gz ILXUGAMSUNSJBT-UHFFFAOYSA-N -1 0 244.265 3.808 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1F ZINC000065350082 178322455 /nfs/dbraw/zinc/32/24/55/178322455.db2.gz WHEWBRDYJWPYHK-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000065350083 178323088 /nfs/dbraw/zinc/32/30/88/178323088.db2.gz HSMVFYUWQXPAPI-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC000065350085 178321181 /nfs/dbraw/zinc/32/11/81/178321181.db2.gz VWFBNXPZVSDSJZ-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1cc(-c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000065350107 385300289 /nfs/dbraw/zinc/30/02/89/385300289.db2.gz GTBMSYYTCWCQDO-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM Cc1ccc(F)cc1-c1cc(F)cc(C(=O)[O-])c1 ZINC000065350129 385301708 /nfs/dbraw/zinc/30/17/08/385301708.db2.gz ZNGWROUAZSNRRF-UHFFFAOYSA-N -1 0 248.228 3.638 50 0 BHAARM O=C([O-])c1cc(-c2ccc3[nH]ccc3c2)cs1 ZINC000067805721 383950439 /nfs/dbraw/zinc/95/04/39/383950439.db2.gz JDYDKLFLXUZIFT-UHFFFAOYSA-N -1 0 243.287 3.595 50 0 BHAARM CC(C)CCCCc1ccc(C(=O)[O-])cc1 ZINC000071773706 384001014 /nfs/dbraw/zinc/00/10/14/384001014.db2.gz KKGMALOYWVSHNU-UHFFFAOYSA-N -1 0 220.312 3.754 50 0 BHAARM C[C@@H](CCC(=O)[O-])CCC1CCCCC1 ZINC000071773720 384001262 /nfs/dbraw/zinc/00/12/62/384001262.db2.gz MSNMOSOYSBVXTJ-LLVKDONJSA-N -1 0 212.333 3.848 50 0 BHAARM CC(C)(c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000071778011 187276746 /nfs/dbraw/zinc/27/67/46/187276746.db2.gz SGNXBLNCNPOEDO-UHFFFAOYSA-N -1 0 240.302 3.711 50 0 BHAARM C[C@H](CC(=O)[O-])C1=C[C@]2(C)C[C@@H]2CC(C)(C)C1 ZINC000071786232 387288706 /nfs/dbraw/zinc/28/87/06/387288706.db2.gz JSIYILXJZQYKNQ-IFUGULHKSA-N -1 0 236.355 3.870 50 0 BHAARM C[C@H](CC(=O)[O-])C1=C[C@]2(C)C[C@H]2CC(C)(C)C1 ZINC000071786233 387288703 /nfs/dbraw/zinc/28/87/03/387288703.db2.gz JSIYILXJZQYKNQ-IXPVHAAZSA-N -1 0 236.355 3.870 50 0 BHAARM C[C@H](C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000074143646 643651258 /nfs/dbraw/zinc/65/12/58/643651258.db2.gz XJFWKCRAIXEQLM-WHXUTIOJSA-N -1 0 212.333 3.560 50 0 BHAARM C[C@@H](C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000074143647 643652337 /nfs/dbraw/zinc/65/23/37/643652337.db2.gz XJFWKCRAIXEQLM-KPPDAEKUSA-N -1 0 212.333 3.560 50 0 BHAARM Cc1cc(C)cc(-c2cccc(CC(=O)[O-])c2)c1 ZINC000074938325 398210041 /nfs/dbraw/zinc/21/00/41/398210041.db2.gz OEYCTWRGFOPQOG-UHFFFAOYSA-N -1 0 240.302 3.598 50 0 BHAARM CCCc1c2ccccc2sc1C(=O)[O-] ZINC000075437958 398221582 /nfs/dbraw/zinc/22/15/82/398221582.db2.gz ABKTYIOUUIPSOS-UHFFFAOYSA-N -1 0 220.293 3.552 50 0 BHAARM Cc1cc(O)c(C(C)C)cc1C(=O)C(C)C ZINC000075854531 178195933 /nfs/dbraw/zinc/19/59/33/178195933.db2.gz XAHNMYDPUHUCDL-UHFFFAOYSA-N -1 0 220.312 3.663 50 0 BHAARM O=C([O-])c1cc(F)ccc1SC1CCCC1 ZINC000082516716 384690368 /nfs/dbraw/zinc/69/03/68/384690368.db2.gz FGZRWEYWGMFFLW-UHFFFAOYSA-N -1 0 240.299 3.559 50 0 BHAARM C[C@@H](CC(=O)[O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000082704450 384704341 /nfs/dbraw/zinc/70/43/41/384704341.db2.gz KVDYVTKVLAJNKR-VIFPVBQESA-N -1 0 248.253 3.664 50 0 BHAARM C[C@H](CC(=O)[O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000082704451 384703683 /nfs/dbraw/zinc/70/36/83/384703683.db2.gz KVDYVTKVLAJNKR-SECBINFHSA-N -1 0 248.253 3.664 50 0 BHAARM O=C([O-])/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000083327905 644404093 /nfs/dbraw/zinc/40/40/93/644404093.db2.gz XTWCWHWCDDPEAK-VURMDHGXSA-N -1 0 248.278 3.652 50 0 BHAARM O=C([O-])c1c(F)cccc1SC1CCCC1 ZINC000086477948 182548763 /nfs/dbraw/zinc/54/87/63/182548763.db2.gz WEDQKDAKXCFULT-UHFFFAOYSA-N -1 0 240.299 3.559 50 0 BHAARM CCC(C)(C)C1CCC([C@@H](C)C(=O)[O-])CC1 ZINC000086717557 538558859 /nfs/dbraw/zinc/55/88/59/538558859.db2.gz ZVWAFVWILOBXTL-VOMCLLRMSA-N -1 0 226.360 3.950 50 0 BHAARM CCC(C)(C)C1CCC([C@H](C)C(=O)[O-])CC1 ZINC000086717560 538559152 /nfs/dbraw/zinc/55/91/52/538559152.db2.gz ZVWAFVWILOBXTL-UNXYVOJBSA-N -1 0 226.360 3.950 50 0 BHAARM Cc1ccc(-c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000087743018 178324511 /nfs/dbraw/zinc/32/45/11/178324511.db2.gz HYCSNDDSKGAZRU-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM O=C([O-])[C@H](CC1CCCCC1)c1ccccc1 ZINC000088096888 641313655 /nfs/dbraw/zinc/31/36/55/641313655.db2.gz ZVNNMSKUDGJJJI-CQSZACIVSA-N -1 0 232.323 3.825 50 0 BHAARM O=C([O-])[C@@H](CC1CCCCC1)c1ccccc1 ZINC000088096889 641312925 /nfs/dbraw/zinc/31/29/25/641312925.db2.gz ZVNNMSKUDGJJJI-AWEZNQCLSA-N -1 0 232.323 3.825 50 0 BHAARM CC(C)CC(=O)c1ccc([O-])c(Cl)c1Cl ZINC000088120885 644509168 /nfs/dbraw/zinc/50/91/68/644509168.db2.gz IRIYBLVBHXOKCJ-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)(C)C(=O)c1ccc([O-])c(Cl)c1Cl ZINC000088120886 644509628 /nfs/dbraw/zinc/50/96/28/644509628.db2.gz FBJZAOTUXAFANU-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)C(=O)c1ccc([O-])c(Cl)c1Cl ZINC000088120887 644510503 /nfs/dbraw/zinc/51/05/03/644510503.db2.gz VKARGAWBSFWZMN-UHFFFAOYSA-N -1 0 233.094 3.538 50 0 BHAARM CC(C)CC(=O)c1cc(Cl)c([O-])cc1Cl ZINC000088120896 644509293 /nfs/dbraw/zinc/50/92/93/644509293.db2.gz APEAEVFPURYRMO-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)(C)C(=O)c1cc(Cl)c([O-])cc1Cl ZINC000088120897 644510073 /nfs/dbraw/zinc/51/00/73/644510073.db2.gz LLICOZMUFZJNFJ-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)C(=O)c1cc(Cl)c([O-])cc1Cl ZINC000088120898 644509769 /nfs/dbraw/zinc/50/97/69/644509769.db2.gz NXQOUTXNDZADNK-UHFFFAOYSA-N -1 0 233.094 3.538 50 0 BHAARM CCCC(=O)c1cc(Cl)c([O-])cc1Cl ZINC000088120899 644510260 /nfs/dbraw/zinc/51/02/60/644510260.db2.gz NASVKZJPUHOAKU-UHFFFAOYSA-N -1 0 233.094 3.682 50 0 BHAARM CC(C)CC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000088120917 644509934 /nfs/dbraw/zinc/50/99/34/644509934.db2.gz XQNOILIHIYOWBM-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)(C)C(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000088120918 644509610 /nfs/dbraw/zinc/50/96/10/644509610.db2.gz RWTALRMZYAYHFK-UHFFFAOYSA-N -1 0 247.121 3.928 50 0 BHAARM CC(C)C(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000088120919 644510512 /nfs/dbraw/zinc/51/05/12/644510512.db2.gz VCLKIARGMFBWGJ-UHFFFAOYSA-N -1 0 233.094 3.538 50 0 BHAARM CCC(C)(C)C1CCC([C@H](F)C(=O)[O-])CC1 ZINC000088157922 538572124 /nfs/dbraw/zinc/57/21/24/538572124.db2.gz VYAHWHCDZHKETL-ILDUYXDCSA-N -1 0 230.323 3.652 50 0 BHAARM CCC(C)(C)C1CCC([C@@H](F)C(=O)[O-])CC1 ZINC000088157923 538572451 /nfs/dbraw/zinc/57/24/51/538572451.db2.gz VYAHWHCDZHKETL-VQXHTEKXSA-N -1 0 230.323 3.652 50 0 BHAARM CC[C@H](C(=O)[O-])[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000090413990 538592204 /nfs/dbraw/zinc/59/22/04/538592204.db2.gz GTCDXCQOKLGTDV-AXFHLTTASA-N -1 0 212.333 3.560 50 0 BHAARM CC[C@H](C(=O)[O-])[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000090413992 538592144 /nfs/dbraw/zinc/59/21/44/538592144.db2.gz GTCDXCQOKLGTDV-DCAQKATOSA-N -1 0 212.333 3.560 50 0 BHAARM O=C([O-])c1c(F)cccc1Sc1ccccc1 ZINC000093411740 182548757 /nfs/dbraw/zinc/54/87/57/182548757.db2.gz MFNXNIVITGJDJJ-UHFFFAOYSA-N -1 0 248.278 3.675 50 0 BHAARM O=C([O-])c1c2ccccc2ccc1C(F)(F)F ZINC000095611722 182548118 /nfs/dbraw/zinc/54/81/18/182548118.db2.gz LDMKXMSMYUYUNU-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1cc(C(F)(F)F)cc2ccccc21 ZINC000095611723 182554012 /nfs/dbraw/zinc/55/40/12/182554012.db2.gz JHQSTCZNVIOSDS-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1cccc2cccc(C(F)(F)F)c21 ZINC000095611726 182579785 /nfs/dbraw/zinc/57/97/85/182579785.db2.gz RFZGWQTZWDTQDY-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1cc2ccccc2cc1C(F)(F)F ZINC000095611729 182559847 /nfs/dbraw/zinc/55/98/47/182559847.db2.gz KBPDBCYMCFVLPX-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1ccc2ccccc2c1C(F)(F)F ZINC000095611735 182573301 /nfs/dbraw/zinc/57/33/01/182573301.db2.gz WGKBTJAUMPPVCX-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM Cc1c(C(=O)[O-])sc2cccc(Cl)c12 ZINC000095835456 384403514 /nfs/dbraw/zinc/40/35/14/384403514.db2.gz GSUMXDXBXSOHIZ-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM Cc1c2ccc(Cl)cc2sc1C(=O)[O-] ZINC000095835715 384403037 /nfs/dbraw/zinc/40/30/37/384403037.db2.gz QEINRGCVGFKPIW-UHFFFAOYSA-N -1 0 226.684 3.561 50 0 BHAARM CCCCC[C@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000096115548 388808702 /nfs/dbraw/zinc/80/87/02/388808702.db2.gz PPWHJIIUBXUACW-CQSZACIVSA-N -1 0 242.359 3.617 50 0 BHAARM CCCCC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000096115549 388808886 /nfs/dbraw/zinc/80/88/86/388808886.db2.gz PPWHJIIUBXUACW-AWEZNQCLSA-N -1 0 242.359 3.617 50 0 BHAARM O=C([O-])c1ccc2cccc(C(F)(F)F)c2c1 ZINC000096171582 387022970 /nfs/dbraw/zinc/02/29/70/387022970.db2.gz LSXBDPOOVFVKQH-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1ccc2c(cccc2C(F)(F)F)c1 ZINC000096171594 386590031 /nfs/dbraw/zinc/59/00/31/386590031.db2.gz DVTGNFAWKSGNHM-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1ccc2cc(C(F)(F)F)ccc2c1 ZINC000096171595 182573500 /nfs/dbraw/zinc/57/35/00/182573500.db2.gz PFOFLKYBBRXDFU-UHFFFAOYSA-N -1 0 240.180 3.557 50 0 BHAARM O=C([O-])c1ccc2ccc(C(F)(F)F)cc2c1 ZINC000096171598 386591468 /nfs/dbraw/zinc/59/14/68/386591468.db2.gz 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244.290 3.573 50 0 BHAARM O=C([O-])[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1 ZINC000100003912 384607102 /nfs/dbraw/zinc/60/71/02/384607102.db2.gz NXXDIEYTMQYWJU-JGZJWPJOSA-N -1 0 238.714 3.698 50 0 in-vitro BHAARM CCCCCC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000100004151 384606863 /nfs/dbraw/zinc/60/68/63/384606863.db2.gz POEBGIQSFIJHAX-TXEJJXNPSA-N -1 0 212.333 3.848 50 0 BHAARM O=c1cc(-c2ccccc2)[n-]n1C1CCCCC1 ZINC000102063358 183256942 /nfs/dbraw/zinc/25/69/42/183256942.db2.gz NADKUCSYVMZKSY-UHFFFAOYSA-N -1 0 242.322 3.761 50 0 BHAARM O=C([O-])c1ccc2oc(C3CCCC3)cc2c1 ZINC000114957589 370612995 /nfs/dbraw/zinc/61/29/95/370612995.db2.gz JBEILVKQALNUNL-UHFFFAOYSA-N -1 0 230.263 3.789 50 0 BHAARM CC1(C)CC[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000127750191 387158373 /nfs/dbraw/zinc/15/83/73/387158373.db2.gz CNJNOTDRZQGNMD-STQMWFEESA-N -1 0 232.323 3.681 50 0 BHAARM CC1(C)CC[C@@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000127750417 323943924 /nfs/dbraw/zinc/94/39/24/323943924.db2.gz CNJNOTDRZQGNMD-OLZOCXBDSA-N -1 0 232.323 3.681 50 0 BHAARM CC1(C)CC[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000127750638 323943275 /nfs/dbraw/zinc/94/32/75/323943275.db2.gz CNJNOTDRZQGNMD-QWHCGFSZSA-N -1 0 232.323 3.681 50 0 BHAARM CC1(C)CC[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000127750867 323943919 /nfs/dbraw/zinc/94/39/19/323943919.db2.gz CNJNOTDRZQGNMD-CHWSQXEVSA-N -1 0 232.323 3.681 50 0 BHAARM Cc1ccc(-c2cc(C)ccc2C(=O)[O-])cc1 ZINC000142391392 178318860 /nfs/dbraw/zinc/31/88/60/178318860.db2.gz YNNYPBLQEOZTHO-UHFFFAOYSA-N -1 0 226.275 3.669 50 0 BHAARM Oc1cccnc1Sc1ccc(Cl)cc1 ZINC000146336269 368393885 /nfs/dbraw/zinc/39/38/85/368393885.db2.gz WFEVCHGUQXWWRC-UHFFFAOYSA-N -1 0 237.711 3.592 50 0 BHAARM CC[C@H](C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000166326614 541480952 /nfs/dbraw/zinc/48/09/52/541480952.db2.gz HVWTUWNQJCECNN-MCIGGMRASA-N -1 0 226.360 3.950 50 0 BHAARM CC[C@@H](C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000166326736 537903599 /nfs/dbraw/zinc/90/35/99/537903599.db2.gz HVWTUWNQJCECNN-HTAVTVPLSA-N -1 0 226.360 3.950 50 0 BHAARM CC[C@H](C(=O)[O-])[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000168224720 537908245 /nfs/dbraw/zinc/90/82/45/537908245.db2.gz GTCDXCQOKLGTDV-MXWKQRLJSA-N -1 0 212.333 3.560 50 0 BHAARM CC[C@H](C(=O)[O-])[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000168224917 538945126 /nfs/dbraw/zinc/94/51/26/538945126.db2.gz GTCDXCQOKLGTDV-VWYCJHECSA-N -1 0 212.333 3.560 50 0 BHAARM CCCCCC[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000168515526 346737084 /nfs/dbraw/zinc/73/70/84/346737084.db2.gz POEBGIQSFIJHAX-HAQNSBGRSA-N -1 0 212.333 3.848 50 0 BHAARM O=C([O-])c1cc2cn(C3CCCC3)cc2s1 ZINC000169676683 182559737 /nfs/dbraw/zinc/55/97/37/182559737.db2.gz DEQZTOFVFQZXBM-UHFFFAOYSA-N -1 0 235.308 3.516 50 0 BHAARM CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000169676787 172148999 /nfs/dbraw/zinc/14/89/99/172148999.db2.gz VXMAXMWQQQACGA-UHFFFAOYSA-N -1 0 249.697 3.527 50 0 BHAARM C=C[C@H](CCC(=C)C)[C@@H](C(=O)[O-])[Si](C)(C)C ZINC000169833285 345867280 /nfs/dbraw/zinc/86/72/80/345867280.db2.gz MCMUBZWTRLTXEW-NEPJUHHUSA-N -1 0 240.419 3.938 50 0 BHAARM C=C[C@@H](CCC(=C)C)[C@@H](C(=O)[O-])[Si](C)(C)C ZINC000169833288 345867777 /nfs/dbraw/zinc/86/77/77/345867777.db2.gz MCMUBZWTRLTXEW-RYUDHWBXSA-N -1 0 240.419 3.938 50 0 BHAARM C=C[C@H](CCC(=C)C)[C@H](C(=O)[O-])[Si](C)(C)C ZINC000169833290 345525910 /nfs/dbraw/zinc/52/59/10/345525910.db2.gz MCMUBZWTRLTXEW-VXGBXAGGSA-N -1 0 240.419 3.938 50 0 BHAARM C=C[C@@H](CCC(=C)C)[C@H](C(=O)[O-])[Si](C)(C)C ZINC000169833293 345867592 /nfs/dbraw/zinc/86/75/92/345867592.db2.gz MCMUBZWTRLTXEW-NWDGAFQWSA-N -1 0 240.419 3.938 50 0 BHAARM O=C([O-])[C@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000228974168 386655510 /nfs/dbraw/zinc/65/55/10/386655510.db2.gz NXXDIEYTMQYWJU-HOMQSWHASA-N -1 0 238.714 3.698 50 0 BHAARM Cc1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000334163158 526039596 /nfs/dbraw/zinc/03/95/96/526039596.db2.gz MVGBISYSRQGHOM-UHFFFAOYSA-N -1 0 236.654 3.607 50 0 BHAARM CCCC1CCC([C@@H](CC)C(=O)[O-])CC1 ZINC000685951278 538894483 /nfs/dbraw/zinc/89/44/83/538894483.db2.gz CFIZRTXVLCSVSH-HTAVTVPLSA-N -1 0 212.333 3.704 50 0 BHAARM CCCC1CCC([C@H](CC)C(=O)[O-])CC1 ZINC000685951279 538894454 /nfs/dbraw/zinc/89/44/54/538894454.db2.gz CFIZRTXVLCSVSH-MCIGGMRASA-N -1 0 212.333 3.704 50 0 BHAARM CC[C@@H](C(=O)[O-])C1CCC(C(C)C)CC1 ZINC000685951466 538895520 /nfs/dbraw/zinc/89/55/20/538895520.db2.gz KUPZURDMKSHJCH-HTAVTVPLSA-N -1 0 212.333 3.560 50 0 BHAARM CC[C@H](C(=O)[O-])C1CCC(C(C)C)CC1 ZINC000685951469 538895519 /nfs/dbraw/zinc/89/55/19/538895519.db2.gz KUPZURDMKSHJCH-MCIGGMRASA-N -1 0 212.333 3.560 50 0 BHAARM CC1(C)CCC=C(c2ccc(C(=O)[O-])cc2)C1 ZINC000725245558 538000739 /nfs/dbraw/zinc/00/07/39/538000739.db2.gz KFMJJMMIWRJVGU-UHFFFAOYSA-N -1 0 230.307 3.978 50 0 BHAARM CC(C)c1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725245773 538001951 /nfs/dbraw/zinc/00/19/51/538001951.db2.gz GKURMLYAMSDEOM-UHFFFAOYSA-N -1 0 248.253 3.907 50 0 BHAARM CC(C)c1occ(-c2ccccc2)c1C(=O)[O-] ZINC000725246095 538005386 /nfs/dbraw/zinc/00/53/86/538005386.db2.gz JBIWLKAAIPLRDG-UHFFFAOYSA-N -1 0 230.263 3.768 50 0 BHAARM CCCc1occ(-c2cccc(F)c2)c1C(=O)[O-] ZINC000725246161 538004318 /nfs/dbraw/zinc/00/43/18/538004318.db2.gz LMVBKVACPKFOGV-UHFFFAOYSA-N -1 0 248.253 3.736 50 0 BHAARM CC1(C)CCC=C(c2cccc(C(=O)[O-])c2)C1 ZINC000725246380 538007052 /nfs/dbraw/zinc/00/70/52/538007052.db2.gz XKZPADPYVBCEFM-UHFFFAOYSA-N -1 0 230.307 3.978 50 0 BHAARM CC1(C)CCC=C(c2ccccc2C(=O)[O-])C1 ZINC000725246386 538007019 /nfs/dbraw/zinc/00/70/19/538007019.db2.gz XQHAKXTVUCHTQI-UHFFFAOYSA-N -1 0 230.307 3.978 50 0 BHAARM O=C([O-])c1c(-c2ccccc2)coc1C(F)F ZINC000725246548 538007027 /nfs/dbraw/zinc/00/70/27/538007027.db2.gz PAPGZULRSAYQCU-UHFFFAOYSA-N -1 0 238.189 3.582 50 0 BHAARM CCCc1occ(-c2ccccc2)c1C(=O)[O-] ZINC000725246751 538009541 /nfs/dbraw/zinc/00/95/41/538009541.db2.gz VQDPLBHRRTXNCX-UHFFFAOYSA-N -1 0 230.263 3.597 50 0 BHAARM Cc1occ(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000725246762 538009233 /nfs/dbraw/zinc/00/92/33/538009233.db2.gz WATSSLLUEIBROU-UHFFFAOYSA-N -1 0 236.654 3.607 50 0 BHAARM O=C([O-])c1c(-c2ccccc2)coc1C1CC1 ZINC000725246774 538009369 /nfs/dbraw/zinc/00/93/69/538009369.db2.gz WNJKHERHUUPGRI-UHFFFAOYSA-N -1 0 228.247 3.522 50 0 BHAARM O=C([O-])c1c(-c2ccccc2)coc1C1CCC1 ZINC000725246845 538008210 /nfs/dbraw/zinc/00/82/10/538008210.db2.gz YPBUFHUJFCHFAE-UHFFFAOYSA-N -1 0 242.274 3.912 50 0 BHAARM O=C([O-])c1c(-c2cccc(F)c2)coc1C1CC1 ZINC000725246874 538009512 /nfs/dbraw/zinc/00/95/12/538009512.db2.gz ZNKFPIPQVWDKPO-UHFFFAOYSA-N -1 0 246.237 3.661 50 0 BHAARM CC(C)c1csc(-c2ccccc2C(=O)[O-])n1 ZINC000725271227 711588906 /nfs/dbraw/zinc/58/89/06/711588906.db2.gz AOJZXDDHTPLTNN-UHFFFAOYSA-N -1 0 247.319 3.632 50 0 BHAARM CCc1oc(-c2ccccc2)c(C)c1C(=O)[O-] ZINC000958527866 644806017 /nfs/dbraw/zinc/80/60/17/644806017.db2.gz HFGBAZWVUATESE-UHFFFAOYSA-N -1 0 230.263 3.516 50 0 BHAARM Cc1c(-c2ccccc2)oc(C2CC2)c1C(=O)[O-] ZINC000958528081 644806634 /nfs/dbraw/zinc/80/66/34/644806634.db2.gz JCKQDKRKEMMFMH-UHFFFAOYSA-N -1 0 242.274 3.831 50 0 BHAARM Cc1oc(C(C)C)c(C(=O)[O-])c1C(C)C ZINC000958528231 644806031 /nfs/dbraw/zinc/80/60/31/644806031.db2.gz LFEBOPQRTIEKNS-UHFFFAOYSA-N -1 0 210.273 3.533 50 0 BHAARM Cc1oc(C2CCC2)c(C(=O)[O-])c1C(C)C ZINC000958528925 644808129 /nfs/dbraw/zinc/80/81/29/644808129.db2.gz YPYDZEGDBSYWOJ-UHFFFAOYSA-N -1 0 222.284 3.677 50 0 BHAARM