smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C12CCC(CCC(=O)[O-])(CC1)CC2 ZINC000116368449 1168874795 /nfs/dbraw/zinc/87/47/95/1168874795.db2.gz ZPNGPMYNCFCZCU-UHFFFAOYSA-N -1 0 240.299 2.365 50 0 BEAARM CCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000006604037 1170221412 /nfs/dbraw/zinc/22/14/12/1170221412.db2.gz DYPKIQSLYQAFRW-UHFFFAOYSA-N -1 0 216.284 2.345 50 0 BEAARM CCc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000006821706 1170238028 /nfs/dbraw/zinc/23/80/28/1170238028.db2.gz MUMQRMXRZWZDEU-UHFFFAOYSA-N -1 0 202.257 2.036 50 0 BEAARM Cc1cc(Cl)c(C(=O)[O-])c(Cl)n1 ZINC000005046575 178061494 /nfs/dbraw/zinc/06/14/94/178061494.db2.gz CIVCELMLGDGMKZ-UHFFFAOYSA-N -1 0 206.028 2.395 50 0 BEAARM Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000000404797 178069195 /nfs/dbraw/zinc/06/91/95/178069195.db2.gz WHKUVVPPKQRRBV-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 in-vitro BEAARM Cc1cc(Br)ccc1[S@@](=O)[O-] ZINC000162610801 538923622 /nfs/dbraw/zinc/92/36/22/538923622.db2.gz JXRBGCUTMICPKV-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM Cc1ccc([C@H]2N[C@H](C(=O)[O-])C(C)(C)S2)o1 ZINC000074938374 398210774 /nfs/dbraw/zinc/21/07/74/398210774.db2.gz DUQOVLSZOJPRQR-BDAKNGLRSA-N -1 0 241.312 2.155 50 0 BEAARM Cc1cc([C@@H](O)C(=O)[O-])cc(Cl)c1Cl ZINC000263624539 178237774 /nfs/dbraw/zinc/23/77/74/178237774.db2.gz RJFJYSOILSZRFJ-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc2c(s1)c(C=O)c(C(=O)[O-])n2C ZINC000013999066 178293173 /nfs/dbraw/zinc/29/31/73/178293173.db2.gz UGFVUPMCZFWRGG-UHFFFAOYSA-N -1 0 223.253 2.059 50 0 BEAARM Cc1ccc(-c2ccc3n[n-]c(=S)n3n2)cc1 ZINC000041631084 178326014 /nfs/dbraw/zinc/32/60/14/178326014.db2.gz AJAVAUCZHZLHPN-UHFFFAOYSA-N -1 0 242.307 2.388 50 0 BEAARM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1 ZINC000010157357 178344561 /nfs/dbraw/zinc/34/45/61/178344561.db2.gz HKKTYHILGKBIGB-UHFFFAOYSA-N -1 0 228.295 2.353 50 0 BEAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C ZINC000010157337 178345027 /nfs/dbraw/zinc/34/50/27/178345027.db2.gz NDUCHUYVFWZTON-UHFFFAOYSA-N -1 0 202.257 2.091 50 0 BEAARM Cc1ccc(-n2cccc2)c(C(=O)[O-])c1 ZINC000019807117 178347065 /nfs/dbraw/zinc/34/70/65/178347065.db2.gz PMZGNXKGGKAPIC-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM Cc1ccc(C(=O)C(F)(F)F)c([O-])c1 ZINC000095775216 178371141 /nfs/dbraw/zinc/37/11/41/178371141.db2.gz FBZHWPJYAXFCFG-UHFFFAOYSA-N -1 0 204.147 2.446 50 0 BEAARM CCc1cccc(CC)c1NC(=O)/C=C/C(=O)[O-] ZINC000000097044 342674236 /nfs/dbraw/zinc/67/42/36/342674236.db2.gz HPUZNWHASPOJPF-CMDGGOBGSA-N -1 0 247.294 2.391 50 0 BEAARM Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)[O-])c1 ZINC000000097686 342674379 /nfs/dbraw/zinc/67/43/79/342674379.db2.gz HXLQYNIKTYRABW-UHFFFAOYSA-N -1 0 247.172 2.194 50 0 BEAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1 ZINC000000114177 342675039 /nfs/dbraw/zinc/67/50/39/342675039.db2.gz LESQASCTNMKKPZ-DTWKUNHWSA-N -1 0 243.715 2.128 50 0 BEAARM CCOc1cc(OCC)cc(C(=O)[O-])c1 ZINC000000123152 342675741 /nfs/dbraw/zinc/67/57/41/342675741.db2.gz FCSNGXDTYSQXPA-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CC(C)c1cccc2c(O)c(C(=O)[O-])cnc21 ZINC000000151629 342677394 /nfs/dbraw/zinc/67/73/94/342677394.db2.gz KGDOGYITTVCUJA-UHFFFAOYSA-N -1 0 231.251 2.350 50 0 biogenic BEAARM Cc1cc(Br)c(N)c(C(=O)[O-])c1 ZINC000000152810 342677430 /nfs/dbraw/zinc/67/74/30/342677430.db2.gz LCMZECCEEOQWLQ-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM CC(C)(C)OC(=O)c1ccc(C(=O)[O-])cc1 ZINC000000153961 342677445 /nfs/dbraw/zinc/67/74/45/342677445.db2.gz ILBDCOLCHNVWNS-UHFFFAOYSA-N -1 0 222.240 2.340 50 0 BEAARM Cn1ccnc1S[C@H](C(=O)[O-])c1ccccc1 ZINC000000154849 342677638 /nfs/dbraw/zinc/67/76/38/342677638.db2.gz OCAVFHDYHRSBOH-JTQLQIEISA-N -1 0 248.307 2.338 50 0 BEAARM O=C([O-])c1ccc(-n2cccn2)cc1Cl ZINC000000168132 342678906 /nfs/dbraw/zinc/67/89/06/342678906.db2.gz JBLRHBKKTPDCTI-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM Cc1cc(=O)cc(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000000240029 342680945 /nfs/dbraw/zinc/68/09/45/342680945.db2.gz QFWPFBINOFPSJZ-UHFFFAOYSA-N -1 0 243.262 2.153 50 0 BEAARM CC(C)c1ccccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000262753 342681605 /nfs/dbraw/zinc/68/16/05/342681605.db2.gz FBUFPMCSGREAOI-JTQLQIEISA-N -1 0 247.294 2.248 50 0 BEAARM COc1cc(C)nc(-c2ccccc2[O-])n1 ZINC000000275513 342681845 /nfs/dbraw/zinc/68/18/45/342681845.db2.gz DFKRMBRGENZQIM-UHFFFAOYSA-N -1 0 216.240 2.166 50 0 BEAARM CC(C)CC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000000312764 342683013 /nfs/dbraw/zinc/68/30/13/342683013.db2.gz PWLBEPZOOKEWIZ-UHFFFAOYSA-N -1 0 237.255 2.075 50 0 biogenic BEAARM O=C([O-])c1ccc(-n2nnc3ccccc32)cc1 ZINC000000320458 342683302 /nfs/dbraw/zinc/68/33/02/342683302.db2.gz FIZQRWMBURRTGD-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM O=C([O-])c1cc(F)c(Br)cc1F ZINC000000340520 342684047 /nfs/dbraw/zinc/68/40/47/342684047.db2.gz YWZSTHLOAZTDFJ-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM C[C@H](C[C@@H](C)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000000345919 342684424 /nfs/dbraw/zinc/68/44/24/342684424.db2.gz XPYGARPDBLWJQB-NXEZZACHSA-N -1 0 235.283 2.372 50 0 BEAARM Cc1oc(C(C)(C)C)c(CO)c1C(=O)[O-] ZINC000000376463 342685464 /nfs/dbraw/zinc/68/54/64/342685464.db2.gz FDSKGVGFTCCVAG-UHFFFAOYSA-N -1 0 212.245 2.076 50 0 BEAARM CSc1nsc(SC)c1C(=O)[O-] ZINC000000049911 342671226 /nfs/dbraw/zinc/67/12/26/342671226.db2.gz IQFPLSISGDGBMJ-UHFFFAOYSA-N -1 0 221.328 2.285 50 0 BEAARM CC(C)(C)c1ccc2c(c1)OC[C@@H](C(=O)[O-])O2 ZINC000000814470 342693298 /nfs/dbraw/zinc/69/32/98/342693298.db2.gz ZOUUZKCPXBOBDO-NSHDSACASA-N -1 0 236.267 2.209 50 0 BEAARM CCCC[C@@H](CC)COS(=O)(=O)[O-] ZINC000002015520 342714424 /nfs/dbraw/zinc/71/44/24/342714424.db2.gz MHGOKSLTIUHUBF-MRVPVSSYSA-N -1 0 210.295 2.022 50 0 endogenous,in-man BEAARM Cc1sc(NC(=O)C2CC2)c(C(=O)[O-])c1C ZINC000004206019 342744173 /nfs/dbraw/zinc/74/41/73/342744173.db2.gz YRMDKSOQCWUACR-UHFFFAOYSA-N -1 0 239.296 2.412 50 0 BEAARM Cc1c(F)c(C)c(F)c(C(=O)[O-])c1F ZINC000002525722 342722432 /nfs/dbraw/zinc/72/24/32/342722432.db2.gz SXGWHSPUAZKDFB-UHFFFAOYSA-N -1 0 204.147 2.419 50 0 BEAARM CCc1ccc(O[C@H](CC)C(=O)[O-])cc1 ZINC000002526149 342722437 /nfs/dbraw/zinc/72/24/37/342722437.db2.gz PUJPCPDJWKSSPA-LLVKDONJSA-N -1 0 208.257 2.491 50 0 BEAARM O=C([O-])c1cccc(OCC(F)(F)F)c1 ZINC000002534242 342723158 /nfs/dbraw/zinc/72/31/58/342723158.db2.gz VWFMHRHEAZGJBM-UHFFFAOYSA-N -1 0 220.146 2.326 50 0 BEAARM COc1cc(C(=O)[O-])c(Cl)c(Cl)c1O ZINC000002558081 342723947 /nfs/dbraw/zinc/72/39/47/342723947.db2.gz PIUZBDHQOOFIPU-UHFFFAOYSA-N -1 0 237.038 2.406 50 0 BEAARM CC(=O)SC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002560341 342724245 /nfs/dbraw/zinc/72/42/45/342724245.db2.gz BCAAXVOKLXDSPD-NSHDSACASA-N -1 0 238.308 2.210 50 0 in-vitro BEAARM CC(C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002569774 342724861 /nfs/dbraw/zinc/72/48/61/342724861.db2.gz MXPBQQXWXZWBMK-NSHDSACASA-N -1 0 231.292 2.010 50 0 BEAARM O=C(c1ccc(F)cc1)c1ccc(O)cc1[O-] ZINC000002574368 342725071 /nfs/dbraw/zinc/72/50/71/342725071.db2.gz ZAPDKBIMAJSFOM-UHFFFAOYSA-N -1 0 232.210 2.468 50 0 BEAARM CC(C)(C)OC(=O)Nc1cnccc1C(=O)[O-] ZINC000002585778 342725966 /nfs/dbraw/zinc/72/59/66/342725966.db2.gz ZZXUPXUHQHTUNH-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000002635411 342726350 /nfs/dbraw/zinc/72/63/50/342726350.db2.gz OBWBKPZBQCSHTL-FNORWQNLSA-N -1 0 222.240 2.192 50 0 BEAARM CCOc1ccc(NC(=O)/C(C)=C/C(=O)[O-])cc1 ZINC000002886758 342727841 /nfs/dbraw/zinc/72/78/41/342727841.db2.gz XKFPOICHSTXLIF-CMDGGOBGSA-N -1 0 249.266 2.055 50 0 BEAARM O=C([O-])c1cccc(CSc2ncccn2)c1 ZINC000003905662 342739432 /nfs/dbraw/zinc/73/94/32/342739432.db2.gz CMSGTJVKKFFSAA-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=C([O-])c1cc(-n2cccn2)ccc1Cl ZINC000004936822 342754739 /nfs/dbraw/zinc/75/47/39/342754739.db2.gz IJWPYVIFFDSOQM-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM COCn1cc(/C=C/C(=O)[O-])c2ccccc21 ZINC000005570035 342766352 /nfs/dbraw/zinc/76/63/52/342766352.db2.gz IMJOAMUGULYTSP-VOTSOKGWSA-N -1 0 231.251 2.343 50 0 BEAARM CCCCCC[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000005712072 342768751 /nfs/dbraw/zinc/76/87/51/342768751.db2.gz HKDGCSSFNOHHPI-DTWKUNHWSA-N -1 0 217.334 2.073 50 0 BEAARM O=C([O-])c1cccnc1NCc1ccccc1 ZINC000005773679 342769801 /nfs/dbraw/zinc/76/98/01/342769801.db2.gz AHAACQWBYCPTNV-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM Cc1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000008697847 342802290 /nfs/dbraw/zinc/80/22/90/342802290.db2.gz ZRZOLMFQFITNLN-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM O=C([O-])c1cccnc1SC(F)(F)F ZINC000008728697 342803627 /nfs/dbraw/zinc/80/36/27/342803627.db2.gz HLQHHEJYFJZNNX-UHFFFAOYSA-N -1 0 223.175 2.392 50 0 BEAARM Cc1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000008732346 342803720 /nfs/dbraw/zinc/80/37/20/342803720.db2.gz IZAWZHBNSTVPQF-UHFFFAOYSA-N -1 0 206.270 2.258 50 0 BEAARM CC(=O)c1cc(Br)c([O-])cc1O ZINC000009028482 342807271 /nfs/dbraw/zinc/80/72/71/342807271.db2.gz DUKKNGGJJTYXEN-UHFFFAOYSA-N -1 0 231.045 2.063 50 0 BEAARM CC(C)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000011638532 342842251 /nfs/dbraw/zinc/84/22/51/342842251.db2.gz IKXOCBVAUSSAIA-UHFFFAOYSA-N -1 0 237.255 2.075 50 0 BEAARM O=C([O-])c1cc(COc2ccccc2F)on1 ZINC000012355423 342849469 /nfs/dbraw/zinc/84/94/69/342849469.db2.gz DBBAKPJCJRFCHW-UHFFFAOYSA-N -1 0 237.186 2.091 50 0 BEAARM O=C([O-])c1cn(CC(F)(F)F)nc1C1CC1 ZINC000012395176 342850957 /nfs/dbraw/zinc/85/09/57/342850957.db2.gz TVPKQBSBOOLIDY-UHFFFAOYSA-N -1 0 234.177 2.021 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1cccc(C)c1C ZINC000011888077 342844064 /nfs/dbraw/zinc/84/40/64/342844064.db2.gz OGMLWOSTHMJTPF-UHFFFAOYSA-N -1 0 245.282 2.145 50 0 BEAARM CCCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000012896252 342860513 /nfs/dbraw/zinc/86/05/13/342860513.db2.gz FCAJUGBVJNATGI-LLVKDONJSA-N -1 0 247.294 2.077 50 0 BEAARM O=C([O-])c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000015444599 342896563 /nfs/dbraw/zinc/89/65/63/342896563.db2.gz SFBZBDJWQOVUGI-LBPRGKRZSA-N -1 0 246.266 2.434 50 0 BEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000014632731 342883342 /nfs/dbraw/zinc/88/33/42/342883342.db2.gz GJOMHEYOQWPVEZ-MRVPVSSYSA-N -1 0 245.319 2.401 50 0 BEAARM CC(C)(C)C(=O)Nc1ccncc1/C=C/C(=O)[O-] ZINC000014806735 342887695 /nfs/dbraw/zinc/88/76/95/342887695.db2.gz RMHPTZWKWWDVEZ-SNAWJCMRSA-N -1 0 248.282 2.164 50 0 BEAARM Nc1c(C(=O)[O-])cnc2c(Cl)cccc12 ZINC000014988287 342890463 /nfs/dbraw/zinc/89/04/63/342890463.db2.gz DMQKTDVVSMSBCL-UHFFFAOYSA-N -1 0 222.631 2.169 50 0 BEAARM COc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000016159041 342907308 /nfs/dbraw/zinc/90/73/08/342907308.db2.gz VAQSHRZOMRFBCX-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM O=c1nc[n-]c2c3ccccc3sc21 ZINC000018217770 342935188 /nfs/dbraw/zinc/93/51/88/342935188.db2.gz QFMSRGZWWJLTQE-UHFFFAOYSA-N -1 0 202.238 2.138 50 0 BEAARM Cc1ccc2[nH]c(CCC(=O)[O-])nc2c1C ZINC000019088430 342941335 /nfs/dbraw/zinc/94/13/35/342941335.db2.gz OIBSOTVYJCHRGX-UHFFFAOYSA-N -1 0 218.256 2.197 50 0 BEAARM O=C([O-])Cn1cnc(-c2ccc(Cl)cc2)c1 ZINC000000346187 398333536 /nfs/dbraw/zinc/33/35/36/398333536.db2.gz LNOSQXCDWISNOA-UHFFFAOYSA-N -1 0 236.658 2.288 50 0 BEAARM C/C=C/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000019471716 342949216 /nfs/dbraw/zinc/94/92/16/342949216.db2.gz FYCRGIYUOLGKQR-MQQKCMAXSA-N -1 0 231.251 2.456 50 0 BEAARM O=C([O-])[C@H](OCC(F)(F)F)c1ccccc1 ZINC000019505090 342950169 /nfs/dbraw/zinc/95/01/69/342950169.db2.gz LEPUWBXPJLLGGA-MRVPVSSYSA-N -1 0 234.173 2.391 50 0 BEAARM Cc1cccc(-c2nnc(CCC(=O)[O-])o2)c1 ZINC000019780308 342957095 /nfs/dbraw/zinc/95/70/95/342957095.db2.gz ULOFGMFUHYQYFS-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM O=C([O-])c1ccnc(N2CCc3ccccc32)c1 ZINC000019845133 342959875 /nfs/dbraw/zinc/95/98/75/342959875.db2.gz MSEGFAQPCDEQNH-UHFFFAOYSA-N -1 0 240.262 2.474 50 0 BEAARM COc1ccc(CCCC(=O)[O-])c(OC)c1 ZINC000020217148 342977655 /nfs/dbraw/zinc/97/76/55/342977655.db2.gz ULRYTCBBYQNVQO-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 BEAARM O=C([O-])c1ccc(Cn2cnc3ccccc32)o1 ZINC000022161904 343042838 /nfs/dbraw/zinc/04/28/38/343042838.db2.gz HHDKWKRXGFXJBH-UHFFFAOYSA-N -1 0 242.234 2.376 50 0 BEAARM O=C([O-])c1n[nH]c2cc(OC(F)(F)F)ccc21 ZINC000021984884 343031911 /nfs/dbraw/zinc/03/19/11/343031911.db2.gz DBSBRTKNVSHDMD-UHFFFAOYSA-N -1 0 246.144 2.160 50 0 BEAARM O=C([O-])c1ccc2c(c1)C(=O)CCCC2 ZINC000022015627 343035529 /nfs/dbraw/zinc/03/55/29/343035529.db2.gz MUIQSPLDRIXVGQ-UHFFFAOYSA-N -1 0 204.225 2.294 50 0 BEAARM C/C(=C\C(=O)Nc1cscc1C)C(=O)[O-] ZINC000000082762 187244548 /nfs/dbraw/zinc/24/45/48/187244548.db2.gz TZVWKLHESIYNQZ-ZZXKWVIFSA-N -1 0 225.269 2.026 50 0 BEAARM CC(C)(C)c1cc(C=O)c(O)c(C=O)c1 ZINC000000165790 187244259 /nfs/dbraw/zinc/24/42/59/187244259.db2.gz WQNTWZJPCLUXQC-UHFFFAOYSA-N -1 0 206.241 2.315 50 0 BEAARM O=C([O-])CCC1CCN(CC(F)(F)F)CC1 ZINC000050926155 343222127 /nfs/dbraw/zinc/22/21/27/343222127.db2.gz XLEWAFXIJCGBKQ-UHFFFAOYSA-N -1 0 239.237 2.126 50 0 BEAARM CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043589627 343230248 /nfs/dbraw/zinc/23/02/48/343230248.db2.gz HSAYWJCRLAYJKW-NSHDSACASA-N -1 0 239.315 2.056 50 0 BEAARM CC(C)(C)c1cnnn1-c1ccc(C(=O)[O-])cc1 ZINC000009517202 187250013 /nfs/dbraw/zinc/25/00/13/187250013.db2.gz UOGUXQYWBOBRKO-UHFFFAOYSA-N -1 0 245.282 2.263 50 0 BEAARM C[C@H]1/C(=N\O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000022034318 343271961 /nfs/dbraw/zinc/27/19/61/343271961.db2.gz IADWNRWYUQCWGZ-PFJVYOFESA-N -1 0 233.267 2.269 50 0 BEAARM O=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000034924970 343280336 /nfs/dbraw/zinc/28/03/36/343280336.db2.gz BINCAUXZQKKNIA-UHFFFAOYSA-N -1 0 230.223 2.312 50 0 BEAARM CCOc1ccc(/C=C/C(=O)[O-])c(OC)c1 ZINC000034926244 343280338 /nfs/dbraw/zinc/28/03/38/343280338.db2.gz VCIIWZZZNHYZFT-FNORWQNLSA-N -1 0 222.240 2.192 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1nc2ccccc2s1 ZINC000034926277 343280358 /nfs/dbraw/zinc/28/03/58/343280358.db2.gz QENQUKIOSLLIGG-RQJHMYQMSA-N -1 0 219.265 2.484 50 0 BEAARM O=[S@@]([O-])c1ccccc1Br ZINC000036533431 343320116 /nfs/dbraw/zinc/32/01/16/343320116.db2.gz ZHSKXPDVIUDXON-UHFFFAOYSA-N -1 0 221.075 2.030 50 0 BEAARM CC(C)Cn1ncc(C(=O)[O-])c1C1CC1 ZINC000036905556 343327567 /nfs/dbraw/zinc/32/75/67/343327567.db2.gz VFNMMVCYCODIGI-UHFFFAOYSA-N -1 0 208.261 2.115 50 0 BEAARM O=C([O-])c1c[nH]nc1-c1ccc(Cl)s1 ZINC000035286294 343292344 /nfs/dbraw/zinc/29/23/44/343292344.db2.gz TXZMKULDVPYEGO-UHFFFAOYSA-N -1 0 228.660 2.490 50 0 BEAARM CCOc1c(F)cc(/C=C/C(=O)[O-])cc1F ZINC000038529886 343375923 /nfs/dbraw/zinc/37/59/23/343375923.db2.gz WBJLFLHSNKNHCG-ONEGZZNKSA-N -1 0 228.194 2.461 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1cc(C)cc(C)c1 ZINC000037312341 343342993 /nfs/dbraw/zinc/34/29/93/343342993.db2.gz JIHHMULPDCAYBJ-UHFFFAOYSA-N -1 0 245.282 2.145 50 0 BEAARM CC(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000037403604 343344541 /nfs/dbraw/zinc/34/45/41/343344541.db2.gz ZGVYKILXYSAKML-UHFFFAOYSA-N -1 0 243.209 2.258 50 0 BEAARM CC(C)c1nc2cc(C(=O)[O-])cnc2o1 ZINC000040449301 343404005 /nfs/dbraw/zinc/40/40/05/343404005.db2.gz XMSWPBXCXSPCEE-UHFFFAOYSA-N -1 0 206.201 2.044 50 0 BEAARM O=C([O-])c1cnc(Oc2ccccc2F)cn1 ZINC000040457294 343404503 /nfs/dbraw/zinc/40/45/03/343404503.db2.gz OFFJVHJMMWHTPR-UHFFFAOYSA-N -1 0 234.186 2.106 50 0 BEAARM O=C([O-])c1ccnc(SCC(F)(F)F)c1 ZINC000041044165 343413478 /nfs/dbraw/zinc/41/34/78/343413478.db2.gz XWUYLFRFETWQFS-UHFFFAOYSA-N -1 0 237.202 2.434 50 0 BEAARM Cc1ccsc1C(=O)CCCC(=O)[O-] ZINC000042728684 343449279 /nfs/dbraw/zinc/44/92/79/343449279.db2.gz IPMIMJYXVSOCJP-UHFFFAOYSA-N -1 0 212.270 2.494 50 0 BEAARM CN(C)c1cccc(C(=O)CC(C)(C)C(=O)[O-])c1 ZINC000043214228 343466009 /nfs/dbraw/zinc/46/60/09/343466009.db2.gz ZGJODSNYZLJFOV-UHFFFAOYSA-N -1 0 249.310 2.436 50 0 BEAARM O=C([O-])c1ccc(C2CC2)c(OCC2CC2)n1 ZINC000150079003 343466510 /nfs/dbraw/zinc/46/65/10/343466510.db2.gz JPKWMNNAPKYWNH-UHFFFAOYSA-N -1 0 233.267 2.446 50 0 BEAARM O=C([O-])c1csc(NC2CCCC2)n1 ZINC000045951692 343536620 /nfs/dbraw/zinc/53/66/20/343536620.db2.gz SHPOJMUZHLUQPG-UHFFFAOYSA-N -1 0 212.274 2.196 50 0 BEAARM O=c1nc2c3cccnc3oc2c(Cl)[n-]1 ZINC000044830632 187268746 /nfs/dbraw/zinc/26/87/46/187268746.db2.gz SYUZMWVIBKXLNH-UHFFFAOYSA-N -1 0 221.603 2.130 50 0 BEAARM CC(C)(NC(=O)c1coc2ccccc12)C(=O)[O-] ZINC000070390880 187275312 /nfs/dbraw/zinc/27/53/12/187275312.db2.gz UMVIDLIQTUHNSX-UHFFFAOYSA-N -1 0 247.250 2.026 50 0 BEAARM O=S1(=O)[N-]c2ccccc2-c2ccccc21 ZINC000000096040 344097072 /nfs/dbraw/zinc/09/70/72/344097072.db2.gz HXNJMXAYTVQMJT-UHFFFAOYSA-N -1 0 231.276 2.468 50 0 in-vitro BEAARM O=C([O-])c1cc(Br)cnc1C1CC1 ZINC000166644212 344950088 /nfs/dbraw/zinc/95/00/88/344950088.db2.gz XULICKGKHMOJFD-UHFFFAOYSA-N -1 0 242.072 2.420 50 0 BEAARM CC(/C=C/c1ccc2c(c1)OCO2)=C/C(=O)[O-] ZINC000000517959 187298978 /nfs/dbraw/zinc/29/89/78/187298978.db2.gz WFBLTWGKKQPNHH-KRIUCBPDSA-N -1 0 232.235 2.459 50 0 biogenic BEAARM CC1(C)Cc2nc(Cl)c(C(=O)[O-])cc2CO1 ZINC000000198544 187300663 /nfs/dbraw/zinc/30/06/63/187300663.db2.gz HXKKGIJJSWDNKE-UHFFFAOYSA-N -1 0 241.674 2.285 50 0 BEAARM CC(=O)Nc1ccc(C2(C(=O)[O-])CCC2)cc1 ZINC000169676702 187303438 /nfs/dbraw/zinc/30/34/38/187303438.db2.gz JOYOBKJTIAZHPS-UHFFFAOYSA-N -1 0 233.267 2.151 50 0 BEAARM Cc1cccc(C)c1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000097039201 179031328 /nfs/dbraw/zinc/03/13/28/179031328.db2.gz CUKCVAPYMZPPBK-NSHDSACASA-N -1 0 249.310 2.287 50 0 BEAARM Cc1cccc(NC(=O)C(F)(F)F)c1C(=O)[O-] ZINC000000092508 179125378 /nfs/dbraw/zinc/12/53/78/179125378.db2.gz DMUDYGKPQIEHPM-UHFFFAOYSA-N -1 0 247.172 2.194 50 0 BEAARM Cc1cccc(OCc2n[n-]c(=S)o2)c1 ZINC000004950063 179172755 /nfs/dbraw/zinc/17/27/55/179172755.db2.gz BKXGWMZQIKEMTN-UHFFFAOYSA-N -1 0 222.269 2.246 50 0 BEAARM Cc1ccccc1-c1cc(C(=O)[O-])n(C)n1 ZINC000026420204 179235862 /nfs/dbraw/zinc/23/58/62/179235862.db2.gz VINZRIOXUAXYCB-UHFFFAOYSA-N -1 0 216.240 2.094 50 0 BEAARM Cc1ccccc1-c1nnc(C(=O)[O-])s1 ZINC000083304388 179240299 /nfs/dbraw/zinc/24/02/99/179240299.db2.gz MRFARNYELHGQEE-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000003269712 179250995 /nfs/dbraw/zinc/25/09/95/179250995.db2.gz CEWWDXIXQSJKBJ-LBPRGKRZSA-N -1 0 249.310 2.224 50 0 BEAARM O=C([O-])[C@H](Sc1ccncn1)c1ccccc1 ZINC000003163595 347658090 /nfs/dbraw/zinc/65/80/90/347658090.db2.gz SMPGUHPUSPHKGC-LLVKDONJSA-N -1 0 246.291 2.395 50 0 BEAARM Cc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC000050292132 179320340 /nfs/dbraw/zinc/32/03/40/179320340.db2.gz MXQUXDCBHANHGP-SNVBAGLBSA-N -1 0 247.294 2.037 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000037380675 348390284 /nfs/dbraw/zinc/39/02/84/348390284.db2.gz HRUXUHQNXUDJEP-RYUDHWBXSA-N -1 0 228.251 2.060 50 0 BEAARM Cc1nc(CC(F)(F)F)sc1C(=O)[O-] ZINC000048798457 179930121 /nfs/dbraw/zinc/93/01/21/179930121.db2.gz JYHPIPGZGVCHDG-UHFFFAOYSA-N -1 0 225.191 2.255 50 0 BEAARM Cc1nc2cc(CC(=O)[O-])ccc2s1 ZINC000000285047 180078543 /nfs/dbraw/zinc/07/85/43/180078543.db2.gz IWYBEKPGSYQVFQ-UHFFFAOYSA-N -1 0 207.254 2.232 50 0 BEAARM Cc1ccccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000037329816 191069666 /nfs/dbraw/zinc/06/96/66/191069666.db2.gz QZNGFEPRWSFILG-UHFFFAOYSA-N -1 0 247.294 2.122 50 0 BEAARM CCCCC(=O)NCCCCCCC(=O)[O-] ZINC000019519670 168619653 /nfs/dbraw/zinc/61/96/53/168619653.db2.gz UCOGRJOTZKIRTB-UHFFFAOYSA-N -1 0 229.320 2.328 50 0 BEAARM Cc1nccc(NCc2cccc(C(=O)[O-])c2)n1 ZINC000054935236 180201815 /nfs/dbraw/zinc/20/18/15/180201815.db2.gz NYAQFIGQNILXKP-UHFFFAOYSA-N -1 0 243.266 2.095 50 0 BEAARM COc1ccc(C(F)F)cc1C(=O)[O-] ZINC000040449174 350364937 /nfs/dbraw/zinc/36/49/37/350364937.db2.gz LKPOPZKPGMWGKC-UHFFFAOYSA-N -1 0 202.156 2.331 50 0 BEAARM O=C([O-])c1cc(Cl)ccc1OCCF ZINC000039119257 350332474 /nfs/dbraw/zinc/33/24/74/350332474.db2.gz XKMAGGNVRBMBET-UHFFFAOYSA-N -1 0 218.611 2.387 50 0 BEAARM Cc1nn(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000011920516 180329499 /nfs/dbraw/zinc/32/94/99/180329499.db2.gz AUJMRONEMHYYBH-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1C ZINC000040415094 180329669 /nfs/dbraw/zinc/32/96/69/180329669.db2.gz KTUNYMWLYJTJJQ-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM Cc1nn([C@H](C)CC(=O)[O-])c(C)c1Cl ZINC000000873758 180393546 /nfs/dbraw/zinc/39/35/46/180393546.db2.gz FRWXGXNZFHQBNL-RXMQYKEDSA-N -1 0 216.668 2.189 50 0 BEAARM Cc1nnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000015986898 180395061 /nfs/dbraw/zinc/39/50/61/180395061.db2.gz BHFWVAOPSUWYHS-UHFFFAOYSA-N -1 0 221.647 2.206 50 0 BEAARM CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000000303254 187582927 /nfs/dbraw/zinc/58/29/27/187582927.db2.gz INDWVNOSVBJHGZ-UHFFFAOYSA-N -1 0 213.258 2.022 50 0 BEAARM Cc1ccccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000019979928 187589935 /nfs/dbraw/zinc/58/99/35/187589935.db2.gz UEDXMRKTOKTYSH-NSHDSACASA-N -1 0 248.282 2.076 50 0 BEAARM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000077389074 187600447 /nfs/dbraw/zinc/60/04/47/187600447.db2.gz LHCJPDONJNMLDQ-SSDOTTSWSA-N -1 0 241.674 2.308 50 0 BEAARM CC(C)=CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000133851447 188050258 /nfs/dbraw/zinc/05/02/58/188050258.db2.gz PLLMKZHYFUJFBC-NSHDSACASA-N -1 0 245.278 2.168 50 0 BEAARM CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)[O-] ZINC000051971681 188299732 /nfs/dbraw/zinc/29/97/32/188299732.db2.gz ACHKRIQLSCPKKK-MRVPVSSYSA-N -1 0 243.303 2.107 50 0 BEAARM CC(/C=C\c1ccc2c(c1)OCO2)=C/C(=O)[O-] ZINC000005828141 188332731 /nfs/dbraw/zinc/33/27/31/188332731.db2.gz WFBLTWGKKQPNHH-CITLEARMSA-N -1 0 232.235 2.459 50 0 BEAARM CCOc1cc2c(cc1C(=O)[O-])O[C@H](C)C2 ZINC000006086118 355845967 /nfs/dbraw/zinc/84/59/67/355845967.db2.gz ODSXOISFTLLYEQ-SSDOTTSWSA-N -1 0 222.240 2.107 50 0 BEAARM O=C([O-])C1=Cc2ccccc2O[C@@H]1C(F)F ZINC000675050266 538472192 /nfs/dbraw/zinc/47/21/92/538472192.db2.gz NBIPOZSDPMAAMG-VIFPVBQESA-N -1 0 226.178 2.181 50 0 BEAARM Cn1cccc1-c1noc(C2CC2)c1C(=O)[O-] ZINC000675057816 538480436 /nfs/dbraw/zinc/48/04/36/538480436.db2.gz PXFNHMOHVQKGBO-UHFFFAOYSA-N -1 0 232.239 2.256 50 0 BEAARM CCc1onc(-c2c(C)noc2C)c1C(=O)[O-] ZINC000675057932 538480890 /nfs/dbraw/zinc/48/08/90/538480890.db2.gz SDQHZGKCSYGHRU-UHFFFAOYSA-N -1 0 236.227 2.207 50 0 BEAARM Cc1ccc(-c2noc(C)c2C(=O)[O-])o1 ZINC000675057728 538480929 /nfs/dbraw/zinc/48/09/29/538480929.db2.gz MBCPYVAGUMXKAY-UHFFFAOYSA-N -1 0 207.185 2.250 50 0 BEAARM O=C([O-])c1c(-c2cncs2)noc1C(F)F ZINC000675058120 538481036 /nfs/dbraw/zinc/48/10/36/538481036.db2.gz WJPGVCVXJWVAST-UHFFFAOYSA-N -1 0 246.194 2.434 50 0 BEAARM Cc1c(C(=O)[O-])c2cc([N+](=O)[O-])ccc2n1C ZINC000075271047 356932443 /nfs/dbraw/zinc/93/24/43/356932443.db2.gz AYPOIMOHOGKOMM-UHFFFAOYSA-N -1 0 234.211 2.093 50 0 BEAARM CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038221661 357331460 /nfs/dbraw/zinc/33/14/60/357331460.db2.gz NPIMKSLXCPUXPD-SECBINFHSA-N -1 0 230.304 2.465 50 0 BEAARM O=C([O-])c1coc(-c2ccc(F)cc2)n1 ZINC000040449179 358236162 /nfs/dbraw/zinc/23/61/62/358236162.db2.gz MSCLIRZXOMOBOM-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM Cn1c(=N)[n-]nc1S[C@@H]1C=CCCCCC1 ZINC000380850664 359726692 /nfs/dbraw/zinc/72/66/92/359726692.db2.gz ZXKHLSDDXJCHJI-SECBINFHSA-N -1 0 238.360 2.209 50 0 BEAARM CC(C)=CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000096402457 200731382 /nfs/dbraw/zinc/73/13/82/200731382.db2.gz VEHCHIQSSIBHJJ-UHFFFAOYSA-N -1 0 247.294 2.066 50 0 BEAARM O=[S@@]([O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000125982873 541468555 /nfs/dbraw/zinc/46/85/55/541468555.db2.gz ZKCWKAVJDDJHKG-UHFFFAOYSA-N -1 0 228.166 2.425 50 0 BEAARM O=c1cc(C(F)(F)F)[n-]n1CC(F)(F)F ZINC000038436207 368376063 /nfs/dbraw/zinc/37/60/63/368376063.db2.gz WMFAORGGNAWBMC-UHFFFAOYSA-N -1 0 234.099 2.170 50 0 BEAARM N#Cc1cc(C(=O)[O-])ccc1OCC(F)(F)F ZINC000096321190 368382488 /nfs/dbraw/zinc/38/24/88/368382488.db2.gz FGLGDRMGIUPUBH-UHFFFAOYSA-N -1 0 245.156 2.198 50 0 BEAARM CCOC(=O)c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000107839676 369362824 /nfs/dbraw/zinc/36/28/24/369362824.db2.gz COQKZWJFVDJPHJ-WDEREUQCSA-N -1 0 234.251 2.051 50 0 BEAARM Nc1scc(-c2ccco2)c1C(=O)[O-] ZINC000095117722 181820977 /nfs/dbraw/zinc/82/09/77/181820977.db2.gz NXDZLCJIUWEDGS-UHFFFAOYSA-N -1 0 209.226 2.289 50 0 BEAARM O=C([O-])C1(NC(=O)C2CCC2)CCCCCC1 ZINC000036947305 182089006 /nfs/dbraw/zinc/08/90/06/182089006.db2.gz NHOFSXOVXRXEPC-UHFFFAOYSA-N -1 0 239.315 2.080 50 0 BEAARM O=C([O-])/C=C\c1cc(F)c(F)cc1F ZINC000033374095 182415203 /nfs/dbraw/zinc/41/52/03/182415203.db2.gz KFVQEUPEGKJFCW-UPHRSURJSA-N -1 0 202.131 2.202 50 0 BEAARM O=C([O-])C1(COCc2ccccc2)CC1 ZINC000085390288 182422141 /nfs/dbraw/zinc/42/21/41/182422141.db2.gz MFGBZERSMBJZAL-UHFFFAOYSA-N -1 0 206.241 2.068 50 0 BEAARM O=C([O-])CCCC(=O)Nc1ccc(F)c(F)c1 ZINC000004652297 182435754 /nfs/dbraw/zinc/43/57/54/182435754.db2.gz DHIQJQVSBFXYGI-UHFFFAOYSA-N -1 0 243.209 2.158 50 0 BEAARM O=C([O-])CCCC(=O)c1ccc(F)c(F)c1 ZINC000002378675 182436152 /nfs/dbraw/zinc/43/61/52/182436152.db2.gz AJFXSKMQZMJMNC-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM O=C([O-])CCCOc1cccc2cccnc21 ZINC000004988441 182440865 /nfs/dbraw/zinc/44/08/65/182440865.db2.gz FEFCFHAKDHAQEC-UHFFFAOYSA-N -1 0 231.251 2.478 50 0 BEAARM O=C([O-])CCc1cc(F)cc(F)c1F ZINC000039712919 182453445 /nfs/dbraw/zinc/45/34/45/182453445.db2.gz BHVGSHLXHOLMNH-UHFFFAOYSA-N -1 0 204.147 2.121 50 0 BEAARM O=C([O-])CSc1ccc(Br)cn1 ZINC000019503657 182473785 /nfs/dbraw/zinc/47/37/85/182473785.db2.gz RFDYNSRQKRSDFK-UHFFFAOYSA-N -1 0 248.101 2.021 50 0 BEAARM O=C([O-])Cc1c(F)cc(Cl)cc1F ZINC000002243327 182488187 /nfs/dbraw/zinc/48/81/87/182488187.db2.gz LITZKYPXFPYSOE-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM O=C([O-])Cc1coc(-c2ccc(F)cc2)n1 ZINC000049563595 182493554 /nfs/dbraw/zinc/49/35/54/182493554.db2.gz NSXNTASTGRAOHP-UHFFFAOYSA-N -1 0 221.187 2.108 50 0 BEAARM O=C([O-])[C@@H](Sc1ncccn1)c1ccccc1 ZINC000000128053 182505441 /nfs/dbraw/zinc/50/54/41/182505441.db2.gz YOENNECCQWXNRA-JTQLQIEISA-N -1 0 246.291 2.395 50 0 BEAARM O=C([O-])[C@@](O)(c1ccccc1)C1CCCC1 ZINC000000548784 182523664 /nfs/dbraw/zinc/52/36/64/182523664.db2.gz WFLUEQCOAQCQLP-CYBMUJFWSA-N -1 0 220.268 2.149 50 0 BEAARM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008428162 182534794 /nfs/dbraw/zinc/53/47/94/182534794.db2.gz UKCJZGIJDOLOQJ-JTQLQIEISA-N -1 0 248.282 2.015 50 0 BEAARM O=C([O-])c1cc(CCc2ccccc2)no1 ZINC000238717391 182553932 /nfs/dbraw/zinc/55/39/32/182553932.db2.gz OIZSQGJMWSBBHV-UHFFFAOYSA-N -1 0 217.224 2.158 50 0 BEAARM O=C([O-])c1c(Cl)ncn1-c1ccc(F)cc1 ZINC000069949563 182547840 /nfs/dbraw/zinc/54/78/40/182547840.db2.gz DKZVYVDZHGPFBS-UHFFFAOYSA-N -1 0 240.621 2.363 50 0 BEAARM O=C([O-])c1ccc(NC(=O)C2CC2)cc1Cl ZINC000042417379 182568653 /nfs/dbraw/zinc/56/86/53/182568653.db2.gz CTWCQCGNRZVMLE-UHFFFAOYSA-N -1 0 239.658 2.387 50 0 BEAARM O=C([O-])c1ccc(OCC(=O)c2ccco2)cc1 ZINC000038478300 182571134 /nfs/dbraw/zinc/57/11/34/182571134.db2.gz XCGDCZVGHPWAGB-UHFFFAOYSA-N -1 0 246.218 2.240 50 0 BEAARM O=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000019256081 182571195 /nfs/dbraw/zinc/57/11/95/182571195.db2.gz SMEHWQFWKIXXHC-UHFFFAOYSA-N -1 0 207.229 2.101 50 0 BEAARM O=C([O-])c1cccc(NCc2ccncc2)c1 ZINC000000528718 182578287 /nfs/dbraw/zinc/57/82/87/182578287.db2.gz CFXLJICVRPHVAR-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])c1cccc(NCc2cncs2)c1 ZINC000054770463 182578327 /nfs/dbraw/zinc/57/83/27/182578327.db2.gz BUTJRDNKIIWPLT-UHFFFAOYSA-N -1 0 234.280 2.453 50 0 BEAARM O=C([O-])c1cscc1Br ZINC000004208979 182595008 /nfs/dbraw/zinc/59/50/08/182595008.db2.gz APBIZVFQQBCAAT-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 BEAARM O=Cc1ccc(-c2cccnc2C(=O)[O-])cc1 ZINC000065347214 182865573 /nfs/dbraw/zinc/86/55/73/182865573.db2.gz JLBFPCXWHINREB-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM O=[S@]([O-])c1ccc(Br)cc1 ZINC000019943369 182966929 /nfs/dbraw/zinc/96/69/29/182966929.db2.gz QBLQHDHWTVMHRH-UHFFFAOYSA-N -1 0 221.075 2.030 50 0 BEAARM CCCCn1[n-]c(C(F)(F)F)cc1=O ZINC000116397019 169037625 /nfs/dbraw/zinc/03/76/25/169037625.db2.gz OADRKBIIUQIPJV-UHFFFAOYSA-N -1 0 208.183 2.408 50 0 BEAARM [O-]c1cc(F)c(F)cc1Br ZINC000000389788 183258495 /nfs/dbraw/zinc/25/84/95/183258495.db2.gz FCYZOOHWUOEAOX-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM S=c1[n-]nnn1C1CCCCCCC1 ZINC000007717056 183316439 /nfs/dbraw/zinc/31/64/39/183316439.db2.gz XVBAYIKYIJKVRZ-UHFFFAOYSA-N -1 0 212.322 2.247 50 0 BEAARM CCCOc1ccc2c(c1)OCC(C(=O)[O-])=C2 ZINC000020284738 169323587 /nfs/dbraw/zinc/32/35/87/169323587.db2.gz OJFOAOYCGCZPRE-UHFFFAOYSA-N -1 0 234.251 2.336 50 0 BEAARM CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000001420623 166647462 /nfs/dbraw/zinc/64/74/62/166647462.db2.gz BKMVFOKQLCHCPK-VIFPVBQESA-N -1 0 243.303 2.251 50 0 BEAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000026896420 166668061 /nfs/dbraw/zinc/66/80/61/166668061.db2.gz HOKHELLEMBMVFK-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000000035747 383818894 /nfs/dbraw/zinc/81/88/94/383818894.db2.gz LBIJVLPGGBXNPM-UHFFFAOYSA-N -1 0 216.192 2.457 50 0 biogenic BEAARM Cc1cc(C(=O)[O-])c(C)n1Cc1ccncc1 ZINC000000113677 383828045 /nfs/dbraw/zinc/82/80/45/383828045.db2.gz IHQUENCAKSKBOG-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM O=C([O-])/C=C/c1ccc(Oc2ncccn2)cc1 ZINC000000168155 383839786 /nfs/dbraw/zinc/83/97/86/383839786.db2.gz APRNLMIZUQMXDA-QPJJXVBHSA-N -1 0 242.234 2.367 50 0 BEAARM O=C([O-])c1cc2n[nH]cc2cc1Br ZINC000066055104 383844167 /nfs/dbraw/zinc/84/41/67/383844167.db2.gz FWFQICPAPNKJTM-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])Cc1c(O)ccc2ccccc21 ZINC000000393720 383863723 /nfs/dbraw/zinc/86/37/23/383863723.db2.gz JXCXDZUOPZXGIA-UHFFFAOYSA-N -1 0 202.209 2.173 50 0 in-vitro BEAARM O=Cc1c(O)c(C(=O)[O-])cc2ccccc12 ZINC000000478303 383873189 /nfs/dbraw/zinc/87/31/89/383873189.db2.gz LPRBZICETYEWOZ-UHFFFAOYSA-N -1 0 216.192 2.056 50 0 BEAARM C[C@H](Cc1cncc2ccccc21)C(=O)[O-] ZINC000087925532 383875391 /nfs/dbraw/zinc/87/53/91/383875391.db2.gz XMFZCMFRPYPBSN-SECBINFHSA-N -1 0 215.252 2.498 50 0 BEAARM Cc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000000152400 383834132 /nfs/dbraw/zinc/83/41/32/383834132.db2.gz ODWJFUQRQUCRJZ-UHFFFAOYSA-N -1 0 205.135 2.107 50 0 BEAARM O=C([O-])CCc1ccccc1Br ZINC000001764338 383935239 /nfs/dbraw/zinc/93/52/39/383935239.db2.gz AOACQJFIGWNQBC-UHFFFAOYSA-N -1 0 229.073 2.466 50 0 BEAARM O=Cc1cc(OC(F)(F)F)ccc1O ZINC000001081146 383888958 /nfs/dbraw/zinc/88/89/58/383888958.db2.gz WQUZBERVMUEJTD-UHFFFAOYSA-N -1 0 206.119 2.103 50 0 BEAARM O=[P@@]([O-])(O)Cc1cccc(C(F)(F)F)c1 ZINC000001535206 383901516 /nfs/dbraw/zinc/90/15/16/383901516.db2.gz TVXYXFHWFHNWTJ-UHFFFAOYSA-N -1 0 240.117 2.383 50 0 BEAARM Cc1cn(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000113738201 384002922 /nfs/dbraw/zinc/00/29/22/384002922.db2.gz YAOWVWIUOKVULJ-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=[P@@]([O-])(O)C12CC3CC(CC(C3)C1)C2 ZINC000003121409 383999716 /nfs/dbraw/zinc/99/97/16/383999716.db2.gz WLVVUJAREKFGTQ-UHFFFAOYSA-N -1 0 216.217 2.133 50 0 BEAARM CCO[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000068576381 384000216 /nfs/dbraw/zinc/00/02/16/384000216.db2.gz VHHNAKXPUMJMLP-ZCFIWIBFSA-N -1 0 215.274 2.247 50 0 BEAARM Cc1cc(C(=O)[O-])c2cccc(F)c2n1 ZINC000003756750 384026509 /nfs/dbraw/zinc/02/65/09/384026509.db2.gz FJAJACPHCDNIBI-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM O=C([O-])/C=C1\CCCc2ccccc2[C@H]1O ZINC000003983943 384035060 /nfs/dbraw/zinc/03/50/60/384035060.db2.gz UADPGHINQMWEAG-FROQITRMSA-N -1 0 218.252 2.067 50 0 in-vitro BEAARM O=C([O-])CCc1cc(F)c(F)cc1F ZINC000039712921 384118880 /nfs/dbraw/zinc/11/88/80/384118880.db2.gz OMEITIOVLWUOPR-UHFFFAOYSA-N -1 0 204.147 2.121 50 0 BEAARM O=C([O-])c1ccnc(C(F)(F)F)c1Cl ZINC000091297641 384116055 /nfs/dbraw/zinc/11/60/55/384116055.db2.gz UVJBNXZJTBKRQB-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1noc(-c2cc(Cl)ccc2F)n1 ZINC000071047846 384148365 /nfs/dbraw/zinc/14/83/65/384148365.db2.gz SLGJEADFOUAEKN-UHFFFAOYSA-N -1 0 242.593 2.227 50 0 BEAARM O=C(C1=C([O-])c2ccoc2CC1)C(F)(F)F ZINC000002396151 384154614 /nfs/dbraw/zinc/15/46/14/384154614.db2.gz HXEAGBQMXLUQEO-LURJTMIESA-N -1 0 232.157 2.156 50 0 BEAARM CCOc1ccc(C(=O)CCC(=O)[O-])cc1F ZINC000071549997 384172025 /nfs/dbraw/zinc/17/20/25/384172025.db2.gz HXZRWFLDERXQFQ-UHFFFAOYSA-N -1 0 240.230 2.272 50 0 BEAARM Cc1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000006681896 384163802 /nfs/dbraw/zinc/16/38/02/384163802.db2.gz FZTBEHSMFGKXNA-UHFFFAOYSA-N -1 0 219.244 2.019 50 0 BEAARM C[C@@H](NC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000004201406 384163914 /nfs/dbraw/zinc/16/39/14/384163914.db2.gz XKPDGUIRFZFOCU-SECBINFHSA-N -1 0 243.262 2.043 50 0 BEAARM CC[C@H](C)n1ncc(C(=O)[O-])c1C1CC1 ZINC000040930730 384171254 /nfs/dbraw/zinc/17/12/54/384171254.db2.gz AQLPNAWLKPYKSU-ZETCQYMHSA-N -1 0 208.261 2.430 50 0 BEAARM O=C([O-])CC1SC(c2ccccc2)=NC1=O ZINC000008729961 384211014 /nfs/dbraw/zinc/21/10/14/384211014.db2.gz NOTOFOSPABEIMC-UHFFFAOYSA-N -1 0 235.264 2.143 50 0 BEAARM Cc1cc(C)c2c(n1)sc1c2[n-]cnc1=O ZINC000008739438 384214705 /nfs/dbraw/zinc/21/47/05/384214705.db2.gz YDGPIBYHPQKXIU-UHFFFAOYSA-N -1 0 231.280 2.150 50 0 BEAARM O=C([O-])Cc1cccc(OCc2cccnc2)c1 ZINC000042417269 384216762 /nfs/dbraw/zinc/21/67/62/384216762.db2.gz FJKRHKFGHZFNJT-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM O=C([O-])CCc1nc2cc(Cl)ccc2[nH]1 ZINC000008793619 384218267 /nfs/dbraw/zinc/21/82/67/384218267.db2.gz LPODEKMPICKOID-UHFFFAOYSA-N -1 0 224.647 2.234 50 0 BEAARM O=C([O-])Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000012359294 384314507 /nfs/dbraw/zinc/31/45/07/384314507.db2.gz QMBCHAZFNGSWSO-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])C1=NO[C@H](c2cccc(Cl)c2)C1 ZINC000012399097 384315636 /nfs/dbraw/zinc/31/56/36/384315636.db2.gz COPXHIMKUIIRKM-VIFPVBQESA-N -1 0 225.631 2.242 50 0 BEAARM C[C@@H](CNC(=O)C1CCCCCC1)CC(=O)[O-] ZINC000097016305 384284997 /nfs/dbraw/zinc/28/49/97/384284997.db2.gz WBCUFWICIDKPEU-SNVBAGLBSA-N -1 0 241.331 2.184 50 0 BEAARM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000097020124 384285461 /nfs/dbraw/zinc/28/54/61/384285461.db2.gz CULVGIKEFCRFHK-HTQZYQBOSA-N -1 0 239.271 2.142 50 0 BEAARM O=C([O-])CC[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000012954251 384343086 /nfs/dbraw/zinc/34/30/86/384343086.db2.gz QIDFEXAVLDVARN-LBPRGKRZSA-N -1 0 247.294 2.042 50 0 BEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CC2)cc1 ZINC000013181423 384351017 /nfs/dbraw/zinc/35/10/17/384351017.db2.gz SLUWGEODRZLBBZ-GFCCVEGCSA-N -1 0 247.294 2.037 50 0 BEAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(C)c1 ZINC000061214964 384351538 /nfs/dbraw/zinc/35/15/38/384351538.db2.gz MIMQERIVTOQJPG-LLVKDONJSA-N -1 0 249.310 2.178 50 0 BEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(C)c1 ZINC000061214965 384353326 /nfs/dbraw/zinc/35/33/26/384353326.db2.gz MIMQERIVTOQJPG-NSHDSACASA-N -1 0 249.310 2.178 50 0 BEAARM Cc1cc2cc(C(=O)[O-])n(C)c2c(C)c1 ZINC000013483695 384362864 /nfs/dbraw/zinc/36/28/64/384362864.db2.gz UKHPIWGRRHIJFW-UHFFFAOYSA-N -1 0 203.241 2.493 50 0 BEAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(CO)o1 ZINC000000471116 384326487 /nfs/dbraw/zinc/32/64/87/384326487.db2.gz DPPJBSCBFUJDEM-UHFFFAOYSA-N -1 0 232.235 2.446 50 0 BEAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])C(C)(C)C ZINC000095836239 384402519 /nfs/dbraw/zinc/40/25/19/384402519.db2.gz YYOSOHHBTSZOOE-QMMMGPOBSA-N -1 0 245.319 2.258 50 0 BEAARM CC(C)(C)OC(=O)NCc1cc(C(=O)[O-])co1 ZINC000095944516 384418272 /nfs/dbraw/zinc/41/82/72/384418272.db2.gz YVYPMRKEKXLHID-UHFFFAOYSA-N -1 0 241.243 2.003 50 0 BEAARM CCOc1c(Cl)cccc1CC(=O)[O-] ZINC000096300646 384452054 /nfs/dbraw/zinc/45/20/54/384452054.db2.gz QQBLIHKAWVVJNI-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM C[C@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000079041924 384481331 /nfs/dbraw/zinc/48/13/31/384481331.db2.gz TZNCDXAIDIETKV-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM O=C([O-])CSc1ccnc(-c2ccccc2)n1 ZINC000020120535 384578728 /nfs/dbraw/zinc/57/87/28/384578728.db2.gz SXPMNYJJBMNTSF-UHFFFAOYSA-N -1 0 246.291 2.320 50 0 BEAARM O=C([O-])CSCc1cnn(-c2ccccc2)c1 ZINC000020284811 384609027 /nfs/dbraw/zinc/60/90/27/384609027.db2.gz SMBGNGUVCPWROR-UHFFFAOYSA-N -1 0 248.307 2.190 50 0 BEAARM CC[C@H](C)n1cc(Cl)c(C(=O)[O-])n1 ZINC000020313798 384613197 /nfs/dbraw/zinc/61/31/97/384613197.db2.gz QXXQAXVEVDNYLN-YFKPBYRVSA-N -1 0 202.641 2.206 50 0 BEAARM O=C1CC(=O)CC(c2cccc(F)c2F)C1 ZINC000124067705 384613155 /nfs/dbraw/zinc/61/31/55/384613155.db2.gz BSNPGZQFCCPYFB-UHFFFAOYSA-N -1 0 224.206 2.371 50 0 BEAARM O=C([O-])CCCc1nc2ccccc2o1 ZINC000020423213 384617110 /nfs/dbraw/zinc/61/71/10/384617110.db2.gz UALGCDDZSUXDFW-UHFFFAOYSA-N -1 0 205.213 2.235 50 0 BEAARM O=C([O-])CCc1ncc(-c2ccccc2F)o1 ZINC000050107328 384594762 /nfs/dbraw/zinc/59/47/62/384594762.db2.gz QDFMTZISEJIKQK-UHFFFAOYSA-N -1 0 235.214 2.498 50 0 BEAARM CC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)C3 ZINC000101407167 384673056 /nfs/dbraw/zinc/67/30/56/384673056.db2.gz RDFVCFGNKZADIN-SSDOTTSWSA-N -1 0 243.262 2.027 50 0 BEAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000051603043 384674948 /nfs/dbraw/zinc/67/49/48/384674948.db2.gz VGQWCHXBPIFMTI-JTQLQIEISA-N -1 0 239.315 2.032 50 0 BEAARM O=C([O-])C1(c2ccc3ncsc3c2)CC1 ZINC000083010640 384737233 /nfs/dbraw/zinc/73/72/33/384737233.db2.gz IARGEVMBPSORNS-UHFFFAOYSA-N -1 0 219.265 2.413 50 0 BEAARM O=C([O-])CCOc1ccc(F)cc1Cl ZINC000022150526 384738294 /nfs/dbraw/zinc/73/82/94/384738294.db2.gz XNBUXUDYENDIRW-UHFFFAOYSA-N -1 0 218.611 2.333 50 0 BEAARM Cn1nc(C(C)(C)C)c(Cl)c1C(=O)[O-] ZINC000084483490 384871999 /nfs/dbraw/zinc/87/19/99/384871999.db2.gz PWNMMQXAXFGQSW-UHFFFAOYSA-N -1 0 216.668 2.069 50 0 BEAARM Cc1oc(-c2ccsc2)nc1CC(=O)[O-] ZINC000057218472 384931917 /nfs/dbraw/zinc/93/19/17/384931917.db2.gz ZPWGLCHQTGQZEO-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM Cc1ccc(CC(=O)[O-])c(Br)c1 ZINC000057953340 384973546 /nfs/dbraw/zinc/97/35/46/384973546.db2.gz VENUNMMLXJLOCO-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM CC(=O)Nc1ccc(-c2ccc([S-])cc2)nn1 ZINC000061966094 385009129 /nfs/dbraw/zinc/00/91/29/385009129.db2.gz JQCLNQNTWNTXNS-UHFFFAOYSA-N -1 0 245.307 2.391 50 0 BEAARM O=C([O-])C1(Cc2ccccc2)CCOCC1 ZINC000061674684 385129833 /nfs/dbraw/zinc/12/98/33/385129833.db2.gz VCQFYQIKERUPIO-UHFFFAOYSA-N -1 0 220.268 2.111 50 0 BEAARM CCc1ccc2cc(C(=O)[O-])cnc2c1 ZINC000032099626 385132469 /nfs/dbraw/zinc/13/24/69/385132469.db2.gz WJMGUVPYUJSNMI-UHFFFAOYSA-N -1 0 201.225 2.495 50 0 BEAARM Cc1csc(=S)n1[C@@H](C)C(=O)[O-] ZINC000032235662 385136823 /nfs/dbraw/zinc/13/68/23/385136823.db2.gz ZCHQLCDAVFQHAZ-YFKPBYRVSA-N -1 0 203.288 2.233 50 0 BEAARM O=C([O-])C1(CC(=O)Nc2cccnc2)CCCC1 ZINC000031818924 385106481 /nfs/dbraw/zinc/10/64/81/385106481.db2.gz PITWTFQKZMEVBO-UHFFFAOYSA-N -1 0 248.282 2.055 50 0 BEAARM CO[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000006483173 385194760 /nfs/dbraw/zinc/19/47/60/385194760.db2.gz MBAJSMKLHBYGHS-QMMMGPOBSA-N -1 0 200.621 2.112 50 0 BEAARM O=C([O-])CSc1nccc(-c2ccccc2)n1 ZINC000000128050 385241381 /nfs/dbraw/zinc/24/13/81/385241381.db2.gz ZQOPWPIWMGJZQH-UHFFFAOYSA-N -1 0 246.291 2.320 50 0 BEAARM O=C([O-])c1coc2cc(Cl)ccc2c1=O ZINC000082292134 385283306 /nfs/dbraw/zinc/28/33/06/385283306.db2.gz VFEYZVVQHYVKHQ-UHFFFAOYSA-N -1 0 224.599 2.145 50 0 BEAARM O=C([O-])CCc1conc1-c1cccc(F)c1 ZINC000169676689 385417341 /nfs/dbraw/zinc/41/73/41/385417341.db2.gz KFCFJEYKTCJXBT-UHFFFAOYSA-N -1 0 235.214 2.498 50 0 BEAARM O=C([O-])[C@@H](O)c1c(F)c(Cl)ccc1Cl ZINC000258145275 385776133 /nfs/dbraw/zinc/77/61/33/385776133.db2.gz BOKKWYYUZKKAAG-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM CCC[C@](C)(NC(=O)/C=C\C(C)(C)C)C(=O)[O-] ZINC000221909186 386024302 /nfs/dbraw/zinc/02/43/02/386024302.db2.gz AIXZFYVWZLZFTF-JWJUJFCLSA-N -1 0 241.331 2.348 50 0 BEAARM Cc1cc(C)c(C(=O)[O-])c(OCC(F)(F)F)n1 ZINC000038010292 386110944 /nfs/dbraw/zinc/11/09/44/386110944.db2.gz MXZWQMNOYMDFCD-UHFFFAOYSA-N -1 0 249.188 2.338 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)cc(Cl)c1F ZINC000263623340 386157874 /nfs/dbraw/zinc/15/78/74/386157874.db2.gz GQYMIQUECIDYKL-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H]1CCCC[C@H]1c1cccnc1 ZINC000062569310 386591950 /nfs/dbraw/zinc/59/19/50/386591950.db2.gz JVDWCSFNPJYXRT-WDEREUQCSA-N -1 0 205.257 2.440 50 0 BEAARM CCc1c(-c2cccc(C(=O)[O-])c2)cnn1C ZINC000534586263 386645292 /nfs/dbraw/zinc/64/52/92/386645292.db2.gz HMYXVUIEVYODQK-UHFFFAOYSA-N -1 0 230.267 2.348 50 0 BEAARM Cc1c([O-])ccc2c(=O)c(-c3ccon3)coc12 ZINC000005955552 386697575 /nfs/dbraw/zinc/69/75/75/386697575.db2.gz LERQZPRYMUVNOL-UHFFFAOYSA-N -1 0 243.218 2.462 50 0 biogenic BEAARM CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC000000409844 322809721 /nfs/dbraw/zinc/80/97/21/322809721.db2.gz OTXGVXYCMIJUGJ-UHFFFAOYSA-N -1 0 230.219 2.463 50 0 BEAARM CCC1C(=O)N(c2ccccc2)N=C1C ZINC000100165090 387276585 /nfs/dbraw/zinc/27/65/85/387276585.db2.gz UUOKEWKXBQCYAM-UHFFFAOYSA-N -1 0 202.257 2.449 50 0 BEAARM CC[C@H]1C=CCN1C(=O)c1ccccc1C(=O)[O-] ZINC000426668429 387584378 /nfs/dbraw/zinc/58/43/78/387584378.db2.gz RMRIBXZOFAAJFL-JTQLQIEISA-N -1 0 245.278 2.175 50 0 BEAARM CCCCOC(=O)N=c1[n-]nc(CC)s1 ZINC000001770703 387644215 /nfs/dbraw/zinc/64/42/15/387644215.db2.gz XLEVBHFFCGVREH-UHFFFAOYSA-N -1 0 229.305 2.449 50 0 BEAARM CCO[N-]C(=O)[C@@H](C)Sc1ccccc1 ZINC000036392127 387784456 /nfs/dbraw/zinc/78/44/56/387784456.db2.gz PQYIUCWRTVPXTD-SECBINFHSA-N -1 0 225.313 2.235 50 0 BEAARM CCO[N-]C(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000036393839 387790141 /nfs/dbraw/zinc/79/01/41/387790141.db2.gz BHWOATZDNFHBTK-LLVKDONJSA-N -1 0 237.299 2.138 50 0 BEAARM Nc1cccc(Br)c1[S-] ZINC000147780600 387853589 /nfs/dbraw/zinc/85/35/89/387853589.db2.gz GDKDKXYKTCNBIA-UHFFFAOYSA-N -1 0 204.092 2.320 50 0 BEAARM CC(C)C[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000003883387 322812531 /nfs/dbraw/zinc/81/25/31/322812531.db2.gz FBKXGYIYIKDCSB-GFCCVEGCSA-N -1 0 247.294 2.142 50 0 BEAARM Cc1cc(C(F)(F)F)ncc1C(=O)[O-] ZINC000040448474 177830349 /nfs/dbraw/zinc/83/03/49/177830349.db2.gz IJZZCZADLDCJRX-UHFFFAOYSA-N -1 0 205.135 2.107 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1CC(F)(F)F ZINC000004219039 177822264 /nfs/dbraw/zinc/82/22/64/177822264.db2.gz ZYOPSRRCTHKRMZ-UHFFFAOYSA-N -1 0 221.178 2.365 50 0 BEAARM CCCCNc1ncc(C(=O)[O-])c(CCC)n1 ZINC000169751198 388059418 /nfs/dbraw/zinc/05/94/18/388059418.db2.gz IYXOQSUYTDZGMG-UHFFFAOYSA-N -1 0 237.303 2.339 50 0 BEAARM Cc1ccc(C(=O)NCCCCC(=O)[O-])s1 ZINC000070191352 388284369 /nfs/dbraw/zinc/28/43/69/388284369.db2.gz YZSAJVAHMHUHIH-UHFFFAOYSA-N -1 0 241.312 2.041 50 0 BEAARM Cc1c(NC(=O)[C@@H]2C[C@@H]2C)cccc1C(=O)[O-] ZINC000057351895 388357620 /nfs/dbraw/zinc/35/76/20/388357620.db2.gz TYGGYUZQLBNKGD-OIBJUYFYSA-N -1 0 233.267 2.288 50 0 BEAARM CC(C)(C)O[N-]C(=O)[C@@H]1COc2ccccc2C1 ZINC000089694322 388360954 /nfs/dbraw/zinc/36/09/54/388360954.db2.gz HBEJGRVFVAXAEZ-NSHDSACASA-N -1 0 249.310 2.084 50 0 BEAARM O=C([O-])[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000521399596 256863146 /nfs/dbraw/zinc/86/31/46/256863146.db2.gz JZLKUPNAUQTSJI-FKTZTGRPSA-N -1 0 208.644 2.310 50 0 BEAARM CN(CCCC(=O)[O-])C(=O)CC1=CCCCC1 ZINC000096320086 388816142 /nfs/dbraw/zinc/81/61/42/388816142.db2.gz QRRVQLBWSSNSCX-UHFFFAOYSA-N -1 0 239.315 2.200 50 0 BEAARM Cc1cc(-c2ccc(CC(=O)[O-])cn2)ccc1O ZINC000217384612 177682944 /nfs/dbraw/zinc/68/29/44/177682944.db2.gz IFXZARGEZLVURK-UHFFFAOYSA-N -1 0 243.262 2.390 50 0 BEAARM O=C([O-])c1ccccc1N1CCCCC1 ZINC000000167015 132312909 /nfs/dbraw/zinc/31/29/09/132312909.db2.gz TVEAZHOLMPKUGM-UHFFFAOYSA-N -1 0 205.257 2.375 50 0 BEAARM O=C([O-])[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000019392975 132324522 /nfs/dbraw/zinc/32/45/22/132324522.db2.gz SNIJJDOFXHTRLC-MRVPVSSYSA-N -1 0 240.690 2.036 50 0 BEAARM Cc1sc(-c2cccnc2)nc1C(=O)[O-] ZINC000071478504 397975521 /nfs/dbraw/zinc/97/55/21/397975521.db2.gz RKLKSBRXIGWLAM-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)[O-] ZINC000004492884 398077480 /nfs/dbraw/zinc/07/74/80/398077480.db2.gz ZNJFBWYDHIGLCU-QKMQQOOLSA-N -1 0 210.273 2.413 50 0 biogenic,in-vitro BEAARM CC1(C)CN(CCC(=O)[O-])c2ccccc21 ZINC000082191625 487576604 /nfs/dbraw/zinc/57/66/04/487576604.db2.gz RJLYSOWDKRYTEA-UHFFFAOYSA-N -1 0 219.284 2.259 50 0 BEAARM CCCc1c(C(=O)[O-])sc(=S)n1C ZINC000072408206 410027626 /nfs/dbraw/zinc/02/76/26/410027626.db2.gz HBDADWUVCDDEDO-UHFFFAOYSA-N -1 0 217.315 2.467 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000016697119 166648754 /nfs/dbraw/zinc/64/87/54/166648754.db2.gz LNQIKLOOSITZGB-LBPRGKRZSA-N -1 0 243.303 2.108 50 0 BEAARM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)[O-])s1 ZINC000012650456 166669917 /nfs/dbraw/zinc/66/99/17/166669917.db2.gz QNFLEDLPOVONCN-UHFFFAOYSA-N -1 0 244.272 2.188 50 0 BEAARM CC(C)COC(=O)c1ccccc1C(=O)[O-] ZINC000005759355 167023342 /nfs/dbraw/zinc/02/33/42/167023342.db2.gz RZJSUWQGFCHNFS-UHFFFAOYSA-N -1 0 222.240 2.198 50 0 endogenous,in-man BEAARM CC/C=C(\C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000221672113 167832894 /nfs/dbraw/zinc/83/28/94/167832894.db2.gz HWVPFVQGWDUDGI-CSKARUKUSA-N -1 0 241.331 2.350 50 0 BEAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000000461832 168242511 /nfs/dbraw/zinc/24/25/11/168242511.db2.gz UZFFAVZVIXETGB-UHFFFAOYSA-N -1 0 207.229 2.042 50 0 BEAARM CCC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000096839043 168303944 /nfs/dbraw/zinc/30/39/44/168303944.db2.gz WZKPSAWKRJWANR-QMMMGPOBSA-N -1 0 245.319 2.401 50 0 BEAARM CCO[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000068576376 170476699 /nfs/dbraw/zinc/47/66/99/170476699.db2.gz VHHNAKXPUMJMLP-LURJTMIESA-N -1 0 215.274 2.247 50 0 BEAARM CCOc1ccc([C@@H](O)CCC(=O)[O-])cc1C ZINC000006678499 170560746 /nfs/dbraw/zinc/56/07/46/170560746.db2.gz MXEQIRCHABLPOO-NSHDSACASA-N -1 0 238.283 2.292 50 0 BEAARM CCOc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000008617208 170570457 /nfs/dbraw/zinc/57/04/57/170570457.db2.gz FRMATZBTAXOKFT-UHFFFAOYSA-N -1 0 233.223 2.037 50 0 BEAARM CCOc1cccc(Cl)c1C(=O)[O-] ZINC000020080384 170581057 /nfs/dbraw/zinc/58/10/57/170581057.db2.gz NQYCWKVXKAVSAC-UHFFFAOYSA-N -1 0 200.621 2.437 50 0 BEAARM CCOc1oc(-c2ccco2)nc1C(=O)[O-] ZINC000009690947 170605943 /nfs/dbraw/zinc/60/59/43/170605943.db2.gz NDWPEVUEZXXLSB-UHFFFAOYSA-N -1 0 223.184 2.032 50 0 BEAARM CC[C@H](C)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000006358520 171392331 /nfs/dbraw/zinc/39/23/31/171392331.db2.gz CMRZYYUYDQRCEO-IUCAKERBSA-N -1 0 245.319 2.401 50 0 BEAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576249 171398585 /nfs/dbraw/zinc/39/85/85/171398585.db2.gz QJCNLJWUIOIMMF-YUMQZZPRSA-N -1 0 231.292 2.010 50 0 biogenic BEAARM CCc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000138426 171836911 /nfs/dbraw/zinc/83/69/11/171836911.db2.gz OTYQAMRZSHKIGF-WDEREUQCSA-N -1 0 237.324 2.037 50 0 BEAARM CCc1nc2ccc(C(=O)[O-])cc2nc1CC ZINC000000256545 172011840 /nfs/dbraw/zinc/01/18/40/172011840.db2.gz PPDTZYUTKIMTJM-UHFFFAOYSA-N -1 0 230.267 2.453 50 0 BEAARM CCn1cc(CNc2ccccc2C(=O)[O-])cn1 ZINC000012395148 172176312 /nfs/dbraw/zinc/17/63/12/172176312.db2.gz JKOCJZOJIWGILJ-UHFFFAOYSA-N -1 0 245.282 2.213 50 0 BEAARM CCn1cc(NCc2ccccc2)c(C(=O)[O-])n1 ZINC000020354135 172185120 /nfs/dbraw/zinc/18/51/20/172185120.db2.gz BVJHUMGDMWDJSY-UHFFFAOYSA-N -1 0 245.282 2.213 50 0 BEAARM CO[C@]1(c2ccccc2)C[C@]12C[C@]2(C)C(=O)[O-] ZINC000004025342 174917056 /nfs/dbraw/zinc/91/70/56/174917056.db2.gz NEWSMEZTKJNJKD-RDBSUJKOSA-N -1 0 232.279 2.413 50 0 biogenic BEAARM COc1cc(C)c2cc(C(=O)[O-])[nH]c2c1C ZINC000003748680 174964393 /nfs/dbraw/zinc/96/43/93/174964393.db2.gz GXVGEWKNQXYASD-UHFFFAOYSA-N -1 0 219.240 2.492 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])no2)cc1OC ZINC000000810965 175030645 /nfs/dbraw/zinc/03/06/45/175030645.db2.gz XIPXHDKCCWLQEV-UHFFFAOYSA-N -1 0 249.222 2.057 50 0 BEAARM COc1ccc(-c2cnccc2C(=O)[O-])cc1 ZINC000065347347 175037006 /nfs/dbraw/zinc/03/70/06/175037006.db2.gz WNLJXXVBGINPOS-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(-c2noc(C)c2C(=O)[O-])cc1 ZINC000000161915 175042529 /nfs/dbraw/zinc/04/25/29/175042529.db2.gz IKDPECCMAKOJTK-UHFFFAOYSA-N -1 0 233.223 2.357 50 0 BEAARM COc1ccc(-c2ocnc2C(=O)[O-])cc1 ZINC000000161923 175042901 /nfs/dbraw/zinc/04/29/01/175042901.db2.gz XVXCIDWYZMBWJU-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccc(C(=O)[O-])c(OC)c1Cl ZINC000095883607 175064856 /nfs/dbraw/zinc/06/48/56/175064856.db2.gz CRTJISYFGAVVBI-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM COc1ccc(Cl)cc1/C=C/C(=O)[O-] ZINC000005661766 175119524 /nfs/dbraw/zinc/11/95/24/175119524.db2.gz NKLWZACBNHDQFZ-GORDUTHDSA-N -1 0 212.632 2.446 50 0 BEAARM COc1ccc([C@@H]2C[C@H]2CC(=O)[O-])cc1 ZINC000041214539 175185546 /nfs/dbraw/zinc/18/55/46/175185546.db2.gz KBRGKJHCWDGEIX-ONGXEEELSA-N -1 0 206.241 2.273 50 0 BEAARM COc1ccc2c(c1)snc2C(=O)[O-] ZINC000040434549 175203924 /nfs/dbraw/zinc/20/39/24/175203924.db2.gz TVWVDWCIELUGGY-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM COc1ccc2c(c1)/C(=C/C(=O)[O-])CC2 ZINC000041212493 175205316 /nfs/dbraw/zinc/20/53/16/175205316.db2.gz AGSMHSCYVKXYDK-RMKNXTFCSA-N -1 0 204.225 2.109 50 0 BEAARM COc1ccc2c(c1)C(C(=O)[O-])=CCC2 ZINC000034622738 175206534 /nfs/dbraw/zinc/20/65/34/175206534.db2.gz ROSZDWNARIOXOW-UHFFFAOYSA-N -1 0 204.225 2.109 50 0 BEAARM COc1cccc(-c2cccc(C(=O)[O-])n2)c1 ZINC000035630158 175234162 /nfs/dbraw/zinc/23/41/62/175234162.db2.gz UTSGKGBUZVHCBL-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(-c2nc(=S)o[n-]2)c1 ZINC000061881135 175238464 /nfs/dbraw/zinc/23/84/64/175238464.db2.gz VWAFCJLWERTLAK-UHFFFAOYSA-N -1 0 208.242 2.034 50 0 BEAARM COc1cccc(Cc2n[n-]c(=S)o2)c1 ZINC000020584081 175272847 /nfs/dbraw/zinc/27/28/47/175272847.db2.gz SIFMIXUMYIIXFG-UHFFFAOYSA-N -1 0 222.269 2.332 50 0 BEAARM COc1ccccc1-c1cc(C(=O)[O-])ccn1 ZINC000041250939 175307998 /nfs/dbraw/zinc/30/79/98/175307998.db2.gz RRABOSZUERNZNF-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccccc1-c1cccc(C(=O)[O-])n1 ZINC000020443276 175309809 /nfs/dbraw/zinc/30/98/09/175309809.db2.gz YKISLHFFDIVAAF-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM CSc1nc(Cl)c(C(=O)[O-])c(Cl)n1 ZINC000038339237 175588075 /nfs/dbraw/zinc/58/80/75/175588075.db2.gz LUCAXEBLTQAMHS-UHFFFAOYSA-N -1 0 239.083 2.204 50 0 BEAARM C[C@@H](NC(=O)c1csc2ccccc12)C(=O)[O-] ZINC000042880828 175853652 /nfs/dbraw/zinc/85/36/52/175853652.db2.gz UEWFZNQZNDTYLJ-SSDOTTSWSA-N -1 0 249.291 2.104 50 0 BEAARM C[C@@H](Sc1nccn1-c1ccccc1)C(=O)[O-] ZINC000004023465 176010330 /nfs/dbraw/zinc/01/03/30/176010330.db2.gz YRSLAYWOCRLWDU-SECBINFHSA-N -1 0 248.307 2.438 50 0 BEAARM C[C@H](C(=O)[O-])[C@H]1OCCc2sccc21 ZINC000238856883 176585335 /nfs/dbraw/zinc/58/53/35/176585335.db2.gz XNJKFVMZPSGMFR-IMTBSYHQSA-N -1 0 212.270 2.083 50 0 BEAARM C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000005608115 177023196 /nfs/dbraw/zinc/02/31/96/177023196.db2.gz PKMQCFXRILFKFU-VIFPVBQESA-N -1 0 220.268 2.417 50 0 BEAARM C[C@H](Sc1nccn1-c1ccccc1)C(=O)[O-] ZINC000004023464 177030087 /nfs/dbraw/zinc/03/00/87/177030087.db2.gz YRSLAYWOCRLWDU-VIFPVBQESA-N -1 0 248.307 2.438 50 0 BEAARM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000002527181 177151550 /nfs/dbraw/zinc/15/15/50/177151550.db2.gz LTNNUMKAWAGPIS-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)[O-] ZINC000000103556 177411335 /nfs/dbraw/zinc/41/13/35/177411335.db2.gz OEZHHHFRMDIKIH-XCODYQFDSA-N -1 0 216.236 2.492 50 0 BEAARM Cc1cc(C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000014985198 262712655 /nfs/dbraw/zinc/71/26/55/262712655.db2.gz GKPPJKYOHIYGGZ-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM CCOc1cc(Cl)ccc1C(=O)[O-] ZINC000042224325 487691516 /nfs/dbraw/zinc/69/15/16/487691516.db2.gz JYELDIDGIRZNPI-UHFFFAOYSA-N -1 0 200.621 2.437 50 0 BEAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000039276359 322905461 /nfs/dbraw/zinc/90/54/61/322905461.db2.gz LURNCVQHNOOYJK-YPMHNXCESA-N -1 0 247.294 2.069 50 0 BEAARM O=C([O-])c1ccc(-c2nnc(C3CCC3)[nH]2)s1 ZINC000534671704 323158882 /nfs/dbraw/zinc/15/88/82/323158882.db2.gz QSSZRNNLLPJKAE-UHFFFAOYSA-N -1 0 249.295 2.499 50 0 BEAARM Cc1cc(C(=O)[O-])oc1Br ZINC000108271922 488027077 /nfs/dbraw/zinc/02/70/77/488027077.db2.gz MNFDVTIXQPJBOH-UHFFFAOYSA-N -1 0 205.007 2.049 50 0 BEAARM COCCCOc1cccc(C(=O)[O-])c1C ZINC000147932452 488071182 /nfs/dbraw/zinc/07/11/82/488071182.db2.gz YUTICMOOXGOSOX-UHFFFAOYSA-N -1 0 224.256 2.109 50 0 BEAARM CC/C=C(/C)C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000087622778 488147423 /nfs/dbraw/zinc/14/74/23/488147423.db2.gz IZEKLGGJQLMRFR-HJWRWDBZSA-N -1 0 241.331 2.348 50 0 BEAARM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000069553823 490170902 /nfs/dbraw/zinc/17/09/02/490170902.db2.gz MWOMAVYZRMNVDD-BDAKNGLRSA-N -1 0 245.319 2.401 50 0 BEAARM CCCCC1=C(C(=O)[O-])SC(C)N1 ZINC000390825643 519917635 /nfs/dbraw/zinc/91/76/35/519917635.db2.gz LKASCAALJUPMCU-UHFFFAOYSA-N -1 0 200.283 2.319 50 0 BEAARM Cc1ccc(C2(C(=O)[O-])CCOCC2)cc1C ZINC000061681179 524228748 /nfs/dbraw/zinc/22/87/48/524228748.db2.gz HKHYWOWHFRQNCZ-UHFFFAOYSA-N -1 0 234.295 2.436 50 0 BEAARM CO[C@H]1CCCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000230259232 536710082 /nfs/dbraw/zinc/71/00/82/536710082.db2.gz PEHGJHIPDXLVDX-LBPRGKRZSA-N -1 0 235.283 2.000 50 0 BEAARM CC(C)[C@H](C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719950283 566281979 /nfs/dbraw/zinc/28/19/79/566281979.db2.gz BCTXIPJDYFHTMC-LURJTMIESA-N -1 0 242.300 2.072 50 0 BEAARM CCC[C@H](C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719952445 566282109 /nfs/dbraw/zinc/28/21/09/566282109.db2.gz VXOPVJDKCMHJDQ-LURJTMIESA-N -1 0 242.300 2.216 50 0 BEAARM COc1c(F)ccc(Br)c1C(=O)[O-] ZINC000211914188 591275320 /nfs/dbraw/zinc/27/53/20/591275320.db2.gz WQNHBLNTCXKCEL-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM C/C=C(\C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000584908110 601728973 /nfs/dbraw/zinc/72/89/73/601728973.db2.gz IRIPIZFENSOBAD-YCRREMRBSA-N -1 0 233.267 2.218 50 0 BEAARM C[C@H]1CCC[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000086678878 644164776 /nfs/dbraw/zinc/16/47/76/644164776.db2.gz IDFDGFSMIICWGS-QPUJVOFHSA-N -1 0 243.303 2.155 50 0 BEAARM CCC[C@H](CC(=O)[O-])NC(=O)/C=C(/C)C1CC1 ZINC000195551313 644396634 /nfs/dbraw/zinc/39/66/34/644396634.db2.gz FSYMCYCXWUJUSN-GXMKHXEJSA-N -1 0 239.315 2.102 50 0 BEAARM COc1cc(F)c(Cl)cc1C(=O)[O-] ZINC000108377387 1166265325 /nfs/dbraw/zinc/26/53/25/1166265325.db2.gz BSYFUUVHTCUXKE-UHFFFAOYSA-N -1 0 204.584 2.186 50 0 BEAARM Cc1cc(=O)oc2cc([O-])c(-c3cc[nH]n3)cc12 ZINC000828407470 968786105 /nfs/dbraw/zinc/78/61/05/968786105.db2.gz VDSSOJBKPLVMCJ-UHFFFAOYSA-N -1 0 242.234 2.197 50 0 BEAARM CCC(C)(C)c1ccc([C@H](O)C(=O)[O-])cc1 ZINC000005307530 990530479 /nfs/dbraw/zinc/53/04/79/990530479.db2.gz USIISGAPNYJZOX-NSHDSACASA-N -1 0 222.284 2.492 50 0 BEAARM CCOc1cccc(CCCC(=O)[O-])c1 ZINC000036179758 1170907524 /nfs/dbraw/zinc/90/75/24/1170907524.db2.gz XIMSORUZMDMOEL-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM Cc1cc(C)n(Cc2csc(C(=O)[O-])c2)n1 ZINC000012357631 177930770 /nfs/dbraw/zinc/93/07/70/177930770.db2.gz TWIVYJZTHNAPIY-UHFFFAOYSA-N -1 0 236.296 2.308 50 0 BEAARM Cc1cc(Cl)c(Cl)cc1[C@@H](O)C(=O)[O-] ZINC000263624111 178061455 /nfs/dbraw/zinc/06/14/55/178061455.db2.gz NMAGPLDLHVPPPZ-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc(N)c(C(=O)[O-])cc1Br ZINC000034156119 178101449 /nfs/dbraw/zinc/10/14/49/178101449.db2.gz PJGDLDZLEKENNP-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM CC(C)[C@H](NC(=O)CC1=CCCCC1)C(=O)[O-] ZINC000096320085 187326273 /nfs/dbraw/zinc/32/62/73/187326273.db2.gz AOBHCJZNBFKYOY-LBPRGKRZSA-N -1 0 239.315 2.102 50 0 BEAARM Cc1cc(NCc2ccc(C(=O)[O-])cc2)ncn1 ZINC000011903101 178171422 /nfs/dbraw/zinc/17/14/22/178171422.db2.gz GLUDOAHCATVOGY-UHFFFAOYSA-N -1 0 243.266 2.095 50 0 BEAARM Cc1cc2c(ncnc2SCC(=O)[O-])s1 ZINC000006702994 178282034 /nfs/dbraw/zinc/28/20/34/178282034.db2.gz UADAVIOFIOBDAS-UHFFFAOYSA-N -1 0 240.309 2.176 50 0 BEAARM Cc1cc2ccccc2n1CCC(=O)[O-] ZINC000004414866 178297009 /nfs/dbraw/zinc/29/70/09/178297009.db2.gz OJDOEXJZNZKRBK-UHFFFAOYSA-N -1 0 203.241 2.424 50 0 BEAARM Cc1ccc(-c2noc(CCC(=O)[O-])n2)cc1 ZINC000000211876 178342193 /nfs/dbraw/zinc/34/21/93/178342193.db2.gz DEEIJRMZDVOOAA-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM Cc1ccc(-n2nc(C(=O)[O-])c3c2CCC3)cc1 ZINC000011802322 178347703 /nfs/dbraw/zinc/34/77/03/178347703.db2.gz BPFQULCHXXUGSS-UHFFFAOYSA-N -1 0 242.278 2.368 50 0 BEAARM Cc1nn(-c2ccc(C)cc2)c(C)c1CC(=O)[O-] ZINC000022175650 178348074 /nfs/dbraw/zinc/34/80/74/178348074.db2.gz DONZROCEKYMCPK-UHFFFAOYSA-N -1 0 244.294 2.425 50 0 BEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000021952508 178385955 /nfs/dbraw/zinc/38/59/55/178385955.db2.gz BZXDLYJKTZHAKP-GFCCVEGCSA-N -1 0 247.294 2.074 50 0 BEAARM CCOc1cc(C=O)cc(Br)c1[O-] ZINC000000078254 342673095 /nfs/dbraw/zinc/67/30/95/342673095.db2.gz GWEFTCNMUHHQLP-UHFFFAOYSA-N -1 0 245.072 2.366 50 0 BEAARM CC(C)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000097252 342674449 /nfs/dbraw/zinc/67/44/49/342674449.db2.gz NSMYFMFTSJZRGG-BQYQJAHWSA-N -1 0 233.267 2.389 50 0 BEAARM COc1cc(C(=O)[O-])c(OC)cc1Cl ZINC000000144789 342676987 /nfs/dbraw/zinc/67/69/87/342676987.db2.gz OKZBREHFLFCMIC-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM O=C([O-])c1cccc(NCc2cccnc2)c1 ZINC000000529230 342689513 /nfs/dbraw/zinc/68/95/13/342689513.db2.gz FDOXNJWMRVHSSC-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000000259645 342681593 /nfs/dbraw/zinc/68/15/93/342681593.db2.gz MYGBXELIXXVZAA-SECBINFHSA-N -1 0 246.266 2.129 50 0 BEAARM C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000000270399 342681802 /nfs/dbraw/zinc/68/18/02/342681802.db2.gz ZJFCMJDNHPXGBY-ZETCQYMHSA-N -1 0 217.190 2.426 50 0 BEAARM O=C([O-])c1ccccc1C(=O)Nc1ccccn1 ZINC000000032141 342670330 /nfs/dbraw/zinc/67/03/30/342670330.db2.gz LYSBRRGPHIJPGG-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1ccc(Cn2cccc2)cc1 ZINC000000563785 342690416 /nfs/dbraw/zinc/69/04/16/342690416.db2.gz BVJRENXLDBXRHV-UHFFFAOYSA-N -1 0 201.225 2.235 50 0 BEAARM O=C([O-])c1ccc(CSc2ncccn2)cc1 ZINC000001025867 342695946 /nfs/dbraw/zinc/69/59/46/342695946.db2.gz AWYQMGKBUVAEHY-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM COc1cc(C(=O)[O-])ccc1OCC(C)C ZINC000001126779 342697694 /nfs/dbraw/zinc/69/76/94/342697694.db2.gz SBHFJHQPZDLFTD-UHFFFAOYSA-N -1 0 224.256 2.428 50 0 BEAARM Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl ZINC000001237662 342698536 /nfs/dbraw/zinc/69/85/36/342698536.db2.gz NQQVFXUMIDALNH-UHFFFAOYSA-N -1 0 241.461 2.322 50 0 in-vitro BEAARM O=C([O-])c1csc(NC(=O)c2ccccc2)n1 ZINC000001415047 342700273 /nfs/dbraw/zinc/70/02/73/342700273.db2.gz SJAQWRGQJLGZDL-UHFFFAOYSA-N -1 0 248.263 2.094 50 0 BEAARM O=C([O-])c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000001437384 342700800 /nfs/dbraw/zinc/70/08/00/342700800.db2.gz KFIYDCWKTZPYHH-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576250 342703748 /nfs/dbraw/zinc/70/37/48/342703748.db2.gz QJCNLJWUIOIMMF-HTQZYQBOSA-N -1 0 231.292 2.010 50 0 biogenic BEAARM CC(C)(C)OC(=O)N=C([O-])OC(C)(C)C ZINC000001717885 342710916 /nfs/dbraw/zinc/71/09/16/342710916.db2.gz XCAQIUOFDMREBA-UHFFFAOYSA-N -1 0 217.265 2.446 50 0 BEAARM Cc1cc(-n2c(C)cc(C(=O)[O-])c2C)no1 ZINC000004206782 342744297 /nfs/dbraw/zinc/74/42/97/342744297.db2.gz VZCAPDCBGHRAFS-UHFFFAOYSA-N -1 0 220.228 2.089 50 0 BEAARM Cc1cc(C)nc(-n2[n-]c(C(C)(C)C)cc2=O)n1 ZINC000004487607 342748269 /nfs/dbraw/zinc/74/82/69/342748269.db2.gz JBZKCAYYLBCCCC-UHFFFAOYSA-N -1 0 246.314 2.232 50 0 BEAARM Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)[O-] ZINC000002549559 342723754 /nfs/dbraw/zinc/72/37/54/342723754.db2.gz SMNCRCZGFVBMJT-SCSAIBSYSA-N -1 0 238.621 2.428 50 0 BEAARM O=C([O-])c1cccc(-c2ccc(Cl)nn2)c1 ZINC000002563831 342724323 /nfs/dbraw/zinc/72/43/23/342724323.db2.gz UNZBOMFXUMHBFC-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccccc1 ZINC000002574449 342725077 /nfs/dbraw/zinc/72/50/77/342725077.db2.gz SPRHBCOBGFZPAI-GHMZBOCLSA-N -1 0 218.252 2.370 50 0 BEAARM COC(=O)C=C([O-])c1cccc(Cl)c1 ZINC000002575873 342725287 /nfs/dbraw/zinc/72/52/87/342725287.db2.gz MDZSDWBDIPJXKR-UHFFFAOYSA-N -1 0 212.632 2.086 50 0 BEAARM COc1cc(C(=O)[O-])ccc1OC(C)C ZINC000002576192 342725301 /nfs/dbraw/zinc/72/53/01/342725301.db2.gz JIDRJYBQEIPGRF-UHFFFAOYSA-N -1 0 210.229 2.181 50 0 BEAARM CCOc1ccccc1C(=O)CCC(=O)[O-] ZINC000002579968 342725530 /nfs/dbraw/zinc/72/55/30/342725530.db2.gz CBCGHBBXNYFBMF-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM O=C([O-])c1ccccc1[C@H](O)c1ccccc1 ZINC000003321974 342732505 /nfs/dbraw/zinc/73/25/05/342732505.db2.gz QILGRFFFTBOYJX-CYBMUJFWSA-N -1 0 228.247 2.467 50 0 BEAARM O=C([O-])c1ccc2c(c1)nc1n2CCCC1 ZINC000004973434 342755289 /nfs/dbraw/zinc/75/52/89/342755289.db2.gz MIKTXSBXZZWMOD-UHFFFAOYSA-N -1 0 216.240 2.071 50 0 BEAARM CCc1ccc(C(=O)CCC(=O)[O-])s1 ZINC000004998672 342756302 /nfs/dbraw/zinc/75/63/02/342756302.db2.gz CQZPZVGEZHGESA-UHFFFAOYSA-N -1 0 212.270 2.358 50 0 in-vitro BEAARM O=C([O-])c1cnc2c(Cl)cccc2c1O ZINC000008649815 342801425 /nfs/dbraw/zinc/80/14/25/342801425.db2.gz MQDCOKGAQYWIDE-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM CC(C)Cn1cc(C(=O)[O-])c2ccccc2c1=O ZINC000006724960 342781493 /nfs/dbraw/zinc/78/14/93/342781493.db2.gz KHWZWHBGCGZGLA-UHFFFAOYSA-N -1 0 245.278 2.356 50 0 BEAARM CNc1ccc(Br)cc1C(=O)[O-] ZINC000008703074 342802785 /nfs/dbraw/zinc/80/27/85/342802785.db2.gz SIAWPBGFCFNHCS-UHFFFAOYSA-N -1 0 230.061 2.189 50 0 BEAARM O=C([O-])[C@H]1CS[C@H](c2cccc(Cl)c2)N1 ZINC000006863035 342785079 /nfs/dbraw/zinc/78/50/79/342785079.db2.gz ZIAXCRNTOFXJPM-RKDXNWHRSA-N -1 0 243.715 2.128 50 0 BEAARM O=C([O-])[C@H]1CS[C@@H](c2cccc(Cl)c2)N1 ZINC000006863037 342785255 /nfs/dbraw/zinc/78/52/55/342785255.db2.gz ZIAXCRNTOFXJPM-BDAKNGLRSA-N -1 0 243.715 2.128 50 0 BEAARM Cc1cc(=O)n(CCCC(=O)[O-])c2ccccc12 ZINC000009236908 342810925 /nfs/dbraw/zinc/81/09/25/342810925.db2.gz RAKUDWONCLZWMO-UHFFFAOYSA-N -1 0 245.278 2.175 50 0 BEAARM CC(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000010109828 342834377 /nfs/dbraw/zinc/83/43/77/342834377.db2.gz RAQMKACVSPTXNB-MXWKQRLJSA-N -1 0 241.331 2.038 50 0 BEAARM O=C([O-])c1ccc(F)c(OC(F)(F)F)c1 ZINC000012359200 342849826 /nfs/dbraw/zinc/84/98/26/342849826.db2.gz PTPKGMXRSREZFB-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM Cc1cncc(Oc2cccc(C(=O)[O-])c2)n1 ZINC000012370716 342850439 /nfs/dbraw/zinc/85/04/39/342850439.db2.gz OKPBLLHANTVVJS-UHFFFAOYSA-N -1 0 230.223 2.276 50 0 BEAARM COc1cc(C(F)(F)F)sc1C(=O)[O-] ZINC000012394719 342851016 /nfs/dbraw/zinc/85/10/16/342851016.db2.gz UDHXNKJSJKISON-UHFFFAOYSA-N -1 0 226.175 2.474 50 0 BEAARM COCc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000012505261 342852668 /nfs/dbraw/zinc/85/26/68/342852668.db2.gz NKOZFTCNUWSLCQ-UHFFFAOYSA-N -1 0 231.251 2.388 50 0 BEAARM CC(C)c1c(C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000011888050 342843933 /nfs/dbraw/zinc/84/39/33/342843933.db2.gz DDNJDQLCHCEWIP-UHFFFAOYSA-N -1 0 249.245 2.228 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(C)cc1C ZINC000011888074 342844027 /nfs/dbraw/zinc/84/40/27/342844027.db2.gz BTIUKGDQNWIFHB-UHFFFAOYSA-N -1 0 245.282 2.145 50 0 BEAARM CCCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013091797 342863325 /nfs/dbraw/zinc/86/33/25/342863325.db2.gz YSXQLLAIXRBUKP-UHFFFAOYSA-N -1 0 235.283 2.191 50 0 BEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2CC2)cc1 ZINC000013181426 342864647 /nfs/dbraw/zinc/86/46/47/342864647.db2.gz SLUWGEODRZLBBZ-LBPRGKRZSA-N -1 0 247.294 2.037 50 0 BEAARM CSc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000013609082 342868663 /nfs/dbraw/zinc/86/86/63/342868663.db2.gz XHNHHJSRWSRKLG-SSDOTTSWSA-N -1 0 236.296 2.404 50 0 BEAARM O=[S@]([O-])c1ccc(Br)s1 ZINC000015444465 342896703 /nfs/dbraw/zinc/89/67/03/342896703.db2.gz MLQCXAGNFBJZHE-UHFFFAOYSA-N -1 0 227.104 2.091 50 0 BEAARM CC/C=C(\C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000019425322 398313703 /nfs/dbraw/zinc/31/37/03/398313703.db2.gz NOOUDLDKISJZHL-PMDBQALLSA-N -1 0 247.294 2.285 50 0 BEAARM O=C([O-])c1cnc2cc(Br)[nH]cc1-2 ZINC000014986209 342890425 /nfs/dbraw/zinc/89/04/25/342890425.db2.gz OMNSPSNQBACNCT-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccc2c(c1)ncn2-c1cccnc1 ZINC000017169588 342921716 /nfs/dbraw/zinc/92/17/16/342921716.db2.gz UQEJHZDRRFRWLG-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C ZINC000017045383 342919707 /nfs/dbraw/zinc/91/97/07/342919707.db2.gz ICRINYJHBYGDKB-UHFFFAOYSA-N -1 0 245.307 2.392 50 0 BEAARM CCCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000011638310 346874084 /nfs/dbraw/zinc/87/40/84/346874084.db2.gz YGLIYRHROWCHPP-UHFFFAOYSA-N -1 0 221.256 2.148 50 0 BEAARM O=C1CCCCCC1=C([O-])C(F)(F)F ZINC000100133212 398344368 /nfs/dbraw/zinc/34/43/68/398344368.db2.gz WMDLGLZRZCXLSM-ZCFIWIBFSA-N -1 0 208.179 2.267 50 0 BEAARM CC(C)COc1ncc(C(=O)[O-])cc1Cl ZINC000019407846 342947890 /nfs/dbraw/zinc/94/78/90/342947890.db2.gz FBOXLYUMUCAYRF-UHFFFAOYSA-N -1 0 229.663 2.468 50 0 BEAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC1 ZINC000019836903 342959196 /nfs/dbraw/zinc/95/91/96/342959196.db2.gz MTQTVKWQIWHNQE-UHFFFAOYSA-N -1 0 225.675 2.282 50 0 BEAARM CCc1c(C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000020082212 342968535 /nfs/dbraw/zinc/96/85/35/342968535.db2.gz VANLYNHVFHDWCT-UHFFFAOYSA-N -1 0 234.230 2.272 50 0 BEAARM Cc1c(NC(=O)C(F)(F)F)cccc1C(=O)[O-] ZINC000020137002 342971368 /nfs/dbraw/zinc/97/13/68/342971368.db2.gz NGCMTKBHVCIZCQ-UHFFFAOYSA-N -1 0 247.172 2.194 50 0 BEAARM Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000020596517 342992212 /nfs/dbraw/zinc/99/22/12/342992212.db2.gz GPZBWIDDZJBVSL-UHFFFAOYSA-N -1 0 234.280 2.014 50 0 BEAARM O=C([O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000020283812 342980290 /nfs/dbraw/zinc/98/02/90/342980290.db2.gz FJPKVQQEPGUFCG-UHFFFAOYSA-N -1 0 246.241 2.198 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2)c[nH]c1=O ZINC000020440355 342985260 /nfs/dbraw/zinc/98/52/60/342985260.db2.gz SIHMMTANWQXEHE-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM C[C@H](C1CC1)n1ncc2cc(C(=O)[O-])cnc21 ZINC000021968289 343031726 /nfs/dbraw/zinc/03/17/26/343031726.db2.gz VWZIPYZDJWDKQC-SSDOTTSWSA-N -1 0 231.255 2.101 50 0 BEAARM Cc1ccc(C)c(NC(=O)CCCC(=O)[O-])c1 ZINC000000197599 187244505 /nfs/dbraw/zinc/24/45/05/187244505.db2.gz VQDAIXDKDWTYCU-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM CC(C)[C@H](CC(=O)[O-])N1Cc2ccccc2C1=O ZINC000002513397 187245568 /nfs/dbraw/zinc/24/55/68/187245568.db2.gz YGLGUPAEFIXUOO-LBPRGKRZSA-N -1 0 247.294 2.142 50 0 BEAARM CCc1ccc(O[P@](C)(=O)[O-])cc1 ZINC000002986746 187246250 /nfs/dbraw/zinc/24/62/50/187246250.db2.gz LMFJTALGTWPYIG-UHFFFAOYSA-N -1 0 200.174 2.443 50 0 BEAARM CC(C)CO[C@H]1C(=O)CCC[C@@H]1CCC(=O)[O-] ZINC000004181827 187246825 /nfs/dbraw/zinc/24/68/25/187246825.db2.gz IGZDTIAVSQHVMM-ZWNOBZJWSA-N -1 0 242.315 2.262 50 0 BEAARM CC(=O)c1ccc2[nH]c(C(=O)[O-])c(C)c2c1 ZINC000004384486 187247288 /nfs/dbraw/zinc/24/72/88/187247288.db2.gz NSVCINNISZIPQE-UHFFFAOYSA-N -1 0 217.224 2.377 50 0 BEAARM Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000006788197 187248638 /nfs/dbraw/zinc/24/86/38/187248638.db2.gz WMLNPCBEVWMWNX-LLVKDONJSA-N -1 0 249.310 2.112 50 0 BEAARM CCn1c([C@@H](O)c2ccccc2)n[nH]c1=S ZINC000000085192 187244589 /nfs/dbraw/zinc/24/45/89/187244589.db2.gz LSTGRRLDDJXRDC-VIFPVBQESA-N -1 0 235.312 2.042 50 0 BEAARM COCc1nc2ccc(C(=O)[O-])cc2s1 ZINC000031894183 343226059 /nfs/dbraw/zinc/22/60/59/343226059.db2.gz MUGSBHKYFBSCNK-UHFFFAOYSA-N -1 0 223.253 2.141 50 0 BEAARM CN(C)c1cccc(C(C)(C)C(=O)[O-])c1 ZINC000033487187 343255185 /nfs/dbraw/zinc/25/51/85/343255185.db2.gz SSKKONUBZYISDY-UHFFFAOYSA-N -1 0 207.273 2.115 50 0 BEAARM CCCCc1nc(C(=O)[O-])c(Cl)[nH]1 ZINC000036437249 343318722 /nfs/dbraw/zinc/31/87/22/343318722.db2.gz FETCESOEGZHHTR-UHFFFAOYSA-N -1 0 202.641 2.104 50 0 BEAARM COc1c(F)cc(C(=O)[O-])cc1Br ZINC000036449906 343319010 /nfs/dbraw/zinc/31/90/10/343319010.db2.gz DIHPLBXMGUGUPO-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM O=[S@@]([O-])c1cccc(OC(F)(F)F)c1 ZINC000036533516 343319903 /nfs/dbraw/zinc/31/99/03/343319903.db2.gz UDQJAOPOVIOHKR-UHFFFAOYSA-N -1 0 226.175 2.166 50 0 BEAARM O=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000036930138 343327861 /nfs/dbraw/zinc/32/78/61/343327861.db2.gz KLDNNIFPEQVRRN-UHFFFAOYSA-N -1 0 249.247 2.237 50 0 BEAARM CC(=O)CCc1ccc(OCCC(=O)[O-])cc1 ZINC000021954079 187253594 /nfs/dbraw/zinc/25/35/94/187253594.db2.gz CEURSLCOGMORAR-UHFFFAOYSA-N -1 0 236.267 2.062 50 0 BEAARM O=C([O-])[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000036379618 343317530 /nfs/dbraw/zinc/31/75/30/343317530.db2.gz PLTXACXZZGZCLU-MNOVXSKESA-N -1 0 206.241 2.239 50 0 BEAARM COc1c(F)cc(CC(=O)[O-])cc1Cl ZINC000038529642 343375959 /nfs/dbraw/zinc/37/59/59/343375959.db2.gz SGTDDWCLJYAKEL-UHFFFAOYSA-N -1 0 218.611 2.115 50 0 BEAARM O=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000037295141 343343050 /nfs/dbraw/zinc/34/30/50/343343050.db2.gz OUBSTFOBVYTGNO-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000037381179 343344441 /nfs/dbraw/zinc/34/44/41/343344441.db2.gz VEQHUVWIKWWTFY-JGVFFNPUSA-N -1 0 228.194 2.476 50 0 BEAARM CC(C)[C@@](O)(CC(=O)[O-])c1ccc(F)cc1 ZINC000032015150 187256762 /nfs/dbraw/zinc/25/67/62/187256762.db2.gz RXAUWKKLCQIFCU-LBPRGKRZSA-N -1 0 226.247 2.144 50 0 BEAARM Cc1ccc(Nc2cccc(C(=O)[O-])c2)nn1 ZINC000041074681 343414601 /nfs/dbraw/zinc/41/46/01/343414601.db2.gz JBVMDCVLYMARJB-UHFFFAOYSA-N -1 0 229.239 2.227 50 0 BEAARM O=C([O-])c1cnn(-c2nc3ccccc3s2)c1 ZINC000043299382 343467715 /nfs/dbraw/zinc/46/77/15/343467715.db2.gz GPDXAFQTIUVEEW-UHFFFAOYSA-N -1 0 245.263 2.180 50 0 BEAARM Cc1cc(-n2cccc2)ccc1C(=O)[O-] ZINC000044750423 343513097 /nfs/dbraw/zinc/51/30/97/343513097.db2.gz RAECIJDHJSGACW-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM C[C@H](C(=O)[O-])n1ccnc1-c1ccccc1 ZINC000044353374 343498789 /nfs/dbraw/zinc/49/87/89/343498789.db2.gz JQCIZZBJPBAXOQ-SECBINFHSA-N -1 0 216.240 2.196 50 0 BEAARM O=C([O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000049646744 343604884 /nfs/dbraw/zinc/60/48/84/343604884.db2.gz WRESJPKJERQPHN-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM CC(=O)N1CCC(c2ccc(C(=O)[O-])cc2)CC1 ZINC000045795897 187269402 /nfs/dbraw/zinc/26/94/02/187269402.db2.gz HYCWXWTUMWWRHP-UHFFFAOYSA-N -1 0 247.294 2.111 50 0 BEAARM CC1CCN(c2ncc(C(=O)[O-])s2)CC1 ZINC000054909796 187272460 /nfs/dbraw/zinc/27/24/60/187272460.db2.gz SLLWHUMPKXRVNI-UHFFFAOYSA-N -1 0 226.301 2.078 50 0 BEAARM CC(C)(C)c1nc2cncc(C(=O)[O-])c2o1 ZINC000066054430 187273636 /nfs/dbraw/zinc/27/36/36/187273636.db2.gz JMBRSGBJKORISN-UHFFFAOYSA-N -1 0 220.228 2.219 50 0 BEAARM CCC1=C(C(=O)[O-])Cc2ccccc2O1 ZINC000071373558 187275544 /nfs/dbraw/zinc/27/55/44/187275544.db2.gz HTXKPILAAQJECD-UHFFFAOYSA-N -1 0 204.225 2.370 50 0 BEAARM COc1cc(Br)ccc1CC(=O)[O-] ZINC000079362741 187281109 /nfs/dbraw/zinc/28/11/09/187281109.db2.gz RNRCAQYXOAHKGD-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 BEAARM CO[C@H](C(=O)[O-])c1ccc2occc2c1 ZINC000107199159 344120867 /nfs/dbraw/zinc/12/08/67/344120867.db2.gz VABYUELQWVZEKH-JTQLQIEISA-N -1 0 206.197 2.205 50 0 BEAARM CC(C)CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095969942 187288803 /nfs/dbraw/zinc/28/88/03/187288803.db2.gz BWJQITGWHRFKEK-UHFFFAOYSA-N -1 0 249.310 2.146 50 0 BEAARM CC(=O)Nc1cccc(CC[C@H](C)C(=O)[O-])c1 ZINC000096316064 187288833 /nfs/dbraw/zinc/28/88/33/187288833.db2.gz SYKFBANLPZHTKH-VIFPVBQESA-N -1 0 235.283 2.298 50 0 BEAARM Cc1cc(C(=O)[O-])nn1Cc1ccc(C)cc1 ZINC000004394919 178665490 /nfs/dbraw/zinc/66/54/90/178665490.db2.gz IVYAPCQMEXZKBT-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM O=C([O-])c1cnc(SC2CCCC2)nc1 ZINC000306918778 344502557 /nfs/dbraw/zinc/50/25/57/344502557.db2.gz DBAAVGJIJNAGJT-UHFFFAOYSA-N -1 0 224.285 2.210 50 0 BEAARM Cc1ccc(O[C@H](C(=O)[O-])C(C)C)cc1 ZINC000011864224 178818796 /nfs/dbraw/zinc/81/87/96/178818796.db2.gz NTNPBNPKNWPBIM-NSHDSACASA-N -1 0 208.257 2.483 50 0 BEAARM O=C([O-])c1n[nH]c2cc(C(F)(F)F)ccc21 ZINC000002513829 187360541 /nfs/dbraw/zinc/36/05/41/187360541.db2.gz PUNYEWFCUQQVCA-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM Cc1cccc(C(=O)[O-])c1-n1cccc1 ZINC000020283318 179025730 /nfs/dbraw/zinc/02/57/30/179025730.db2.gz HUEZYBRDOHNVDX-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM Cc1cccc(C)c1C(=O)NCCCCC(=O)[O-] ZINC000097035973 179029906 /nfs/dbraw/zinc/02/99/06/179029906.db2.gz YOYWBHUYSZYXST-UHFFFAOYSA-N -1 0 249.310 2.288 50 0 BEAARM Cc1ccc(NC=C2SC([O-])=NC2=O)cc1 ZINC000005570851 346623647 /nfs/dbraw/zinc/62/36/47/346623647.db2.gz QTTDQWQBZKGYDD-RMKNXTFCSA-N -1 0 234.280 2.231 50 0 BEAARM Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000021783174 179132679 /nfs/dbraw/zinc/13/26/79/179132679.db2.gz IYDWIEKTZDGAEQ-LLVKDONJSA-N -1 0 248.282 2.076 50 0 BEAARM Cc1cccc2c(CCC(=O)[O-])c[nH]c21 ZINC000001564645 179209580 /nfs/dbraw/zinc/20/95/80/179209580.db2.gz ITGAJZHXKNHAMK-UHFFFAOYSA-N -1 0 203.241 2.494 50 0 BEAARM Cc1ccccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000017879182 179241742 /nfs/dbraw/zinc/24/17/42/179241742.db2.gz FSJPHUCMLWROEC-UHFFFAOYSA-N -1 0 228.295 2.353 50 0 BEAARM Cc1ccccc1-n1ccnc1SCC(=O)[O-] ZINC000003354102 179241954 /nfs/dbraw/zinc/24/19/54/179241954.db2.gz LTJFBTXRNIOGNJ-UHFFFAOYSA-N -1 0 248.307 2.357 50 0 BEAARM CC(C)n1ncnc1-c1ccc(C(=O)[O-])s1 ZINC000309149740 323172064 /nfs/dbraw/zinc/17/20/64/323172064.db2.gz QINFUOONTDCDNW-UHFFFAOYSA-N -1 0 237.284 2.286 50 0 BEAARM Cc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC000050292134 179335901 /nfs/dbraw/zinc/33/59/01/179335901.db2.gz MXQUXDCBHANHGP-JTQLQIEISA-N -1 0 247.294 2.037 50 0 BEAARM Cc1ccc(-c2ccc(C(=O)[O-])o2)cn1 ZINC000062948289 349271857 /nfs/dbraw/zinc/27/18/57/349271857.db2.gz XKSVTAFYQINQGO-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM CC(C)[C@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036420899 190987105 /nfs/dbraw/zinc/98/71/05/190987105.db2.gz QMCJVFYCDSYHGW-QMMMGPOBSA-N -1 0 216.277 2.075 50 0 BEAARM Cc1nc(NCc2ccccc2)ncc1C(=O)[O-] ZINC000012243738 180020798 /nfs/dbraw/zinc/02/07/98/180020798.db2.gz ABLBDYTXAHBWRH-UHFFFAOYSA-N -1 0 243.266 2.095 50 0 BEAARM Cc1nc(-c2cccc(C(=O)[O-])c2)c[nH]1 ZINC000067742678 180121602 /nfs/dbraw/zinc/12/16/02/180121602.db2.gz FSVHZBMGEDCNEA-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM Nc1c(C(=O)[O-])snc1-c1cccc(F)c1 ZINC000033268118 350226271 /nfs/dbraw/zinc/22/62/71/350226271.db2.gz SLDAXHADRCWHAK-UHFFFAOYSA-N -1 0 238.243 2.230 50 0 BEAARM Cc1nn(-c2cccc(F)c2)cc1C(=O)[O-] ZINC000049668244 180329454 /nfs/dbraw/zinc/32/94/54/180329454.db2.gz WPHZWRNCRXEJOB-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)[O-] ZINC000000140432 180329545 /nfs/dbraw/zinc/32/95/45/180329545.db2.gz LPYTYYLNGJGJGW-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1nn(-c2ccccc2F)c(C)c1C(=O)[O-] ZINC000008887730 180330833 /nfs/dbraw/zinc/33/08/33/180330833.db2.gz OSYBBCSASBLDBC-UHFFFAOYSA-N -1 0 234.230 2.326 50 0 BEAARM CCCCC(=O)Oc1ccccc1C(=O)[O-] ZINC000002390211 168630268 /nfs/dbraw/zinc/63/02/68/168630268.db2.gz WJHZBTMHUNVIKC-UHFFFAOYSA-N -1 0 222.240 2.480 50 0 in-vitro BEAARM Cc1nn([C@@H](C)CC(=O)[O-])c(C)c1Cl ZINC000000873757 180392083 /nfs/dbraw/zinc/39/20/83/180392083.db2.gz FRWXGXNZFHQBNL-YFKPBYRVSA-N -1 0 216.668 2.189 50 0 BEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)[O-] ZINC000004218605 180386802 /nfs/dbraw/zinc/38/68/02/180386802.db2.gz OERBTSVZNYTLRW-UHFFFAOYSA-N -1 0 224.304 2.173 50 0 BEAARM CC(C)(C)OC(=O)CCC(C)(C)C(=O)[O-] ZINC000230527776 350603798 /nfs/dbraw/zinc/60/37/98/350603798.db2.gz GNOHKGNABPMMSA-UHFFFAOYSA-N -1 0 216.277 2.219 50 0 BEAARM CC(C)(C)OC(=O)n1cccc1/C=C/C(=O)[O-] ZINC000328579743 187661537 /nfs/dbraw/zinc/66/15/37/187661537.db2.gz ZBTWJKYTBYYMDG-VOTSOKGWSA-N -1 0 237.255 2.369 50 0 BEAARM O=C([O-])c1cccc2c(-c3cccnc3)n[nH]c21 ZINC000031991967 188010300 /nfs/dbraw/zinc/01/03/00/188010300.db2.gz MQYUVCUZVGRRFU-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC(=O)c1c(C)n(CC(=O)[O-])c2ccccc21 ZINC000000818942 188273200 /nfs/dbraw/zinc/27/32/00/188273200.db2.gz NYHOPWDTCWYJLH-UHFFFAOYSA-N -1 0 231.251 2.237 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000002510797 188275166 /nfs/dbraw/zinc/27/51/66/188275166.db2.gz JSGHMGKJNZTKGF-IUCAKERBSA-N -1 0 243.303 2.155 50 0 BEAARM Cc1cc(C)cc(NC(=O)CCCC(=O)[O-])c1 ZINC000004795480 188276225 /nfs/dbraw/zinc/27/62/25/188276225.db2.gz HLINWYGNEQGSJK-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM C/C=C/C=C(\NC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000004525246 188276962 /nfs/dbraw/zinc/27/69/62/188276962.db2.gz ACVRFRXENNMEPE-QOROXLEMSA-N -1 0 245.278 2.269 50 0 BEAARM CC(C)[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000010109826 188278601 /nfs/dbraw/zinc/27/86/01/188278601.db2.gz RAQMKACVSPTXNB-VWYCJHECSA-N -1 0 241.331 2.038 50 0 BEAARM CC(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000019257916 188280807 /nfs/dbraw/zinc/28/08/07/188280807.db2.gz OLWFGPQNJWSRSA-SSDOTTSWSA-N -1 0 239.296 2.210 50 0 BEAARM Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000026420160 188283243 /nfs/dbraw/zinc/28/32/43/188283243.db2.gz FGJAILOFVCOWJI-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM O=C([O-])c1c(F)cc(F)cc1Br ZINC000038302625 188290741 /nfs/dbraw/zinc/29/07/41/188290741.db2.gz GKYHVDQTGWPNBP-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM CC(C)(C)c1cn2cc(C(=O)[O-])ccc2n1 ZINC000049646734 188298954 /nfs/dbraw/zinc/29/89/54/188298954.db2.gz HCQNLKXWRDAHMO-UHFFFAOYSA-N -1 0 218.256 2.330 50 0 BEAARM COc1cc(C)c(Br)cc1C(=O)[O-] ZINC000060115269 188302664 /nfs/dbraw/zinc/30/26/64/188302664.db2.gz JQSRUIYBQNPWQR-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM CCCCc1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000675058244 538481171 /nfs/dbraw/zinc/48/11/71/538481171.db2.gz YXIQIECYDZVSCP-UHFFFAOYSA-N -1 0 235.243 2.106 50 0 BEAARM O=C([O-])c1cccc(C(=O)NC2CCCCC2)c1 ZINC000035347380 357192643 /nfs/dbraw/zinc/19/26/43/357192643.db2.gz GCVCAOXNTUEQSG-UHFFFAOYSA-N -1 0 247.294 2.447 50 0 BEAARM O=C([O-])c1cnc(-c2ccccc2)nc1Cl ZINC000000343497 357336238 /nfs/dbraw/zinc/33/62/38/357336238.db2.gz QZZQDABCMAQWAS-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=S(=O)([O-])c1ccc2cccc3c2c1CC3 ZINC000001758839 358435583 /nfs/dbraw/zinc/43/55/83/358435583.db2.gz SONPAJLACPWVKT-UHFFFAOYSA-N -1 0 234.276 2.185 50 0 BEAARM O=C([O-])CCc1cnn(-c2ccc(F)cc2)c1 ZINC000214036556 358753546 /nfs/dbraw/zinc/75/35/46/358753546.db2.gz UZYUONXEMYGIFQ-UHFFFAOYSA-N -1 0 234.230 2.029 50 0 BEAARM CO[P@](=O)([O-])C(=O)Nc1ccccc1 ZINC000002025563 360130486 /nfs/dbraw/zinc/13/04/86/360130486.db2.gz HUDNDHOFYYXNBS-UHFFFAOYSA-N -1 0 215.145 2.050 50 0 BEAARM O=C([O-])Cc1ccnc(C(F)(F)F)c1Cl ZINC000238695616 361179939 /nfs/dbraw/zinc/17/99/39/361179939.db2.gz KQPKBIHSYRHVFO-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM CC[C@@H]1C=CCN1C(=O)c1ccccc1C(=O)[O-] ZINC000426668435 200996511 /nfs/dbraw/zinc/99/65/11/200996511.db2.gz RMRIBXZOFAAJFL-SNVBAGLBSA-N -1 0 245.278 2.175 50 0 BEAARM C[C@@H](CC(=O)[O-])NC(=O)CCC1CCCCC1 ZINC000037416764 364018853 /nfs/dbraw/zinc/01/88/53/364018853.db2.gz IWEPDAAAEGXPNG-JTQLQIEISA-N -1 0 241.331 2.326 50 0 BEAARM CCCC[C@H](CC)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000037457877 364042009 /nfs/dbraw/zinc/04/20/09/364042009.db2.gz SGJOUOAHSOFHTD-UWVGGRQHSA-N -1 0 229.320 2.182 50 0 BEAARM O=C([O-])c1cncc(-c2ccc(Cl)cc2)n1 ZINC000211537376 368399254 /nfs/dbraw/zinc/39/92/54/368399254.db2.gz BRONFCRDDFHGKC-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM CC(C)(O)c1cc2cc(C(=O)[O-])ccc2o1 ZINC000114960141 370613419 /nfs/dbraw/zinc/61/34/19/370613419.db2.gz LYUNYAGVRWTGEB-UHFFFAOYSA-N -1 0 220.224 2.358 50 0 BEAARM C[N@H+](CCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000003375334 371977603 /nfs/dbraw/zinc/97/76/03/371977603.db2.gz VAQFQYFWSFSRLU-UHFFFAOYSA-N -1 0 227.691 2.247 50 0 BEAARM CCCCCCC[C@H]1OC(=O)C[C@@H]1C(=O)[O-] ZINC000008402557 372701625 /nfs/dbraw/zinc/70/16/25/372701625.db2.gz GLJAEVIGKCSCRV-VHSXEESVSA-N -1 0 228.288 2.363 50 0 BEAARM O=C([O-])/C=C\c1cccn1-c1nccs1 ZINC000005896535 182415092 /nfs/dbraw/zinc/41/50/92/182415092.db2.gz YVMCXFFETMPDNB-ARJAWSKDSA-N -1 0 220.253 2.032 50 0 BEAARM O=C([O-])/C=C/c1c(F)ccc(F)c1F ZINC000004290167 182411489 /nfs/dbraw/zinc/41/14/89/182411489.db2.gz OLYDUMMUGMYVHJ-DAFODLJHSA-N -1 0 202.131 2.202 50 0 BEAARM O=C([O-])CCCCOCc1ccccc1 ZINC000020474373 182438672 /nfs/dbraw/zinc/43/86/72/182438672.db2.gz MXXWSDBAURXMNQ-UHFFFAOYSA-N -1 0 208.257 2.458 50 0 BEAARM O=C([O-])CCCC(=O)OC/C=C/c1ccccc1 ZINC000003105965 182436207 /nfs/dbraw/zinc/43/62/07/182436207.db2.gz QZEHKFUXXBHHRF-VMPITWQZSA-N -1 0 248.278 2.498 50 0 BEAARM O=C([O-])CCc1ccc2ccccc2n1 ZINC000001654190 182454232 /nfs/dbraw/zinc/45/42/32/182454232.db2.gz PBXJDATXARPDPW-UHFFFAOYSA-N -1 0 201.225 2.252 50 0 BEAARM O=C([O-])COc1ccc(OC(F)(F)F)cc1 ZINC000000074329 182470868 /nfs/dbraw/zinc/47/08/68/182470868.db2.gz QHSBEEUEIRDHCD-UHFFFAOYSA-N -1 0 236.145 2.049 50 0 BEAARM O=C([O-])Cc1ccc(F)cc1OC(F)(F)F ZINC000091252021 182490872 /nfs/dbraw/zinc/49/08/72/182490872.db2.gz FXCYHVBZPAWHHJ-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000008580263 182503877 /nfs/dbraw/zinc/50/38/77/182503877.db2.gz TZCCKRXYTBHLMH-ZETCQYMHSA-N -1 0 221.039 2.111 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000004720845 182530803 /nfs/dbraw/zinc/53/08/03/182530803.db2.gz OYCGDTUIPZFBRJ-FRRDWIJNSA-N -1 0 234.295 2.406 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2F)on1 ZINC000020283761 182550983 /nfs/dbraw/zinc/55/09/83/182550983.db2.gz QVWCQOSJFUMRFM-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1cc(Br)cs1 ZINC000000159061 182553493 /nfs/dbraw/zinc/55/34/93/182553493.db2.gz HJZFPRVFLBBAMU-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 BEAARM O=C([O-])c1csc(/C=C/c2cccnc2)n1 ZINC000096403895 182594017 /nfs/dbraw/zinc/59/40/17/182594017.db2.gz JDPGQAZMJDWMSL-ONEGZZNKSA-N -1 0 232.264 2.407 50 0 BEAARM [O-]c1ccc(Br)cc1-c1nnco1 ZINC000006224406 183268222 /nfs/dbraw/zinc/26/82/22/183268222.db2.gz BBEBNKOFVVLLBN-UHFFFAOYSA-N -1 0 241.044 2.205 50 0 BEAARM [O-]c1cc(F)c(Br)cc1F ZINC000002541323 183259138 /nfs/dbraw/zinc/25/91/38/183259138.db2.gz BYZMZJIWCQTYSR-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=c1cnnc(SCc2cccc(F)c2)[n-]1 ZINC000004248969 183305822 /nfs/dbraw/zinc/30/58/22/183305822.db2.gz FPYUUXFUWNHQON-UHFFFAOYSA-N -1 0 237.259 2.009 50 0 BEAARM O=c1cnnc(SC/C=C/c2ccccc2)[n-]1 ZINC000004248951 183305379 /nfs/dbraw/zinc/30/53/79/183305379.db2.gz ZZCIMHIBANWMKZ-QPJJXVBHSA-N -1 0 245.307 2.383 50 0 BEAARM CC(C)(C)Nc1cc(C(=O)[O-])c(N)cc1F ZINC000050018441 166638295 /nfs/dbraw/zinc/63/82/95/166638295.db2.gz UMNMXJZHBFJIQF-UHFFFAOYSA-N -1 0 226.251 2.317 50 0 BEAARM O=C([O-])c1nc2[nH]ccc2c(Cl)c1F ZINC000066054226 383845551 /nfs/dbraw/zinc/84/55/51/383845551.db2.gz YVKQWOUKLUGWFX-UHFFFAOYSA-N -1 0 214.583 2.054 50 0 BEAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000000216042 383845832 /nfs/dbraw/zinc/84/58/32/383845832.db2.gz JSNNVBLCQRJOQF-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM O=C([O-])CO[C@@H](c1ccccc1)C(F)(F)F ZINC000000275279 383850491 /nfs/dbraw/zinc/85/04/91/383850491.db2.gz QVFVPBIDJMYUDX-VIFPVBQESA-N -1 0 234.173 2.391 50 0 BEAARM C[C@@H]1SC(=S)[N-]N1c1ccccc1 ZINC000000392791 383862214 /nfs/dbraw/zinc/86/22/14/383862214.db2.gz UCOSZMPNTRCHEN-ZETCQYMHSA-N -1 0 210.327 2.375 50 0 BEAARM O=C([O-])CCC(=O)Nc1ccc(Cl)cc1 ZINC000000123594 383830197 /nfs/dbraw/zinc/83/01/97/383830197.db2.gz UPSNSRKMOHOEEO-UHFFFAOYSA-N -1 0 227.647 2.143 50 0 BEAARM CCOc1ccc2[nH]cc(CC(=O)[O-])c2c1 ZINC000071487225 383991513 /nfs/dbraw/zinc/99/15/13/383991513.db2.gz JADLKAXYGRNFKN-UHFFFAOYSA-N -1 0 219.240 2.194 50 0 BEAARM O=C([O-])/C=C/c1ccc(O)c(Br)c1 ZINC000002504974 383967043 /nfs/dbraw/zinc/96/70/43/383967043.db2.gz HOZXBZABAJSGDX-DUXPYHPUSA-N -1 0 243.056 2.253 50 0 BEAARM CC(C)(C[C@H](O)c1ccccc1)C(=O)[O-] ZINC000071773291 384001475 /nfs/dbraw/zinc/00/14/75/384001475.db2.gz RHYWHKTUITTYKV-JTQLQIEISA-N -1 0 208.257 2.221 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1ccccc1CC ZINC000037312262 383972788 /nfs/dbraw/zinc/97/27/88/383972788.db2.gz BHTPMEUCUFGJQX-UHFFFAOYSA-N -1 0 245.282 2.090 50 0 BEAARM O=C([O-])Cc1ccccc1OC(F)(F)F ZINC000002560219 383976935 /nfs/dbraw/zinc/97/69/35/383976935.db2.gz QFLBBLZROQPTAI-UHFFFAOYSA-N -1 0 220.146 2.212 50 0 BEAARM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000003654652 384023644 /nfs/dbraw/zinc/02/36/44/384023644.db2.gz YJOYXRINXOHSNM-UHFFFAOYSA-N -1 0 218.256 2.216 50 0 BEAARM O=C([O-])Cc1csc(-c2cccs2)n1 ZINC000004204673 384045041 /nfs/dbraw/zinc/04/50/41/384045041.db2.gz PSWAJRIIRPRMQB-UHFFFAOYSA-N -1 0 225.294 2.499 50 0 BEAARM COc1ccc(SC)c(OC)c1C(=O)[O-] ZINC000090225715 384035267 /nfs/dbraw/zinc/03/52/67/384035267.db2.gz JIAWNEVMLDUMIS-UHFFFAOYSA-N -1 0 228.269 2.124 50 0 BEAARM C[C@]1(C(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC000004512125 384064186 /nfs/dbraw/zinc/06/41/86/384064186.db2.gz ZRRIBPPHPPYNFM-LLVKDONJSA-N -1 0 239.658 2.308 50 0 BEAARM O=C([O-])c1cc(C(F)(F)F)ncc1Cl ZINC000090685969 384067746 /nfs/dbraw/zinc/06/77/46/384067746.db2.gz FLNMNRMAYBXCCM-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1cc(C(=O)[O-])c2c(n1)onc2-c1ccco1 ZINC000038342480 384080536 /nfs/dbraw/zinc/08/05/36/384080536.db2.gz SFGVTCSTRANNCY-UHFFFAOYSA-N -1 0 244.206 2.489 50 0 BEAARM Cc1nc(C(F)(F)F)sc1C(=O)[O-] ZINC000040435271 384151978 /nfs/dbraw/zinc/15/19/78/384151978.db2.gz DMKDYSIOZORCEB-UHFFFAOYSA-N -1 0 211.164 2.169 50 0 BEAARM COC(=O)c1cc(Br)c(F)cc1O ZINC000117687166 384179861 /nfs/dbraw/zinc/17/98/61/384179861.db2.gz MCMGUPTVQMMNDL-UHFFFAOYSA-N -1 0 249.035 2.080 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000041233708 384183234 /nfs/dbraw/zinc/18/32/34/384183234.db2.gz WJQPYKXTWOTIBA-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=C([O-])c1cc(F)ccc1OC(F)(F)F ZINC000071867285 384183956 /nfs/dbraw/zinc/18/39/56/384183956.db2.gz JRQMLAPRSGFPRF-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM Cn1c(Cc2ccccc2)ccc1C(=O)[O-] ZINC000072324041 384208453 /nfs/dbraw/zinc/20/84/53/384208453.db2.gz LWXSZWQPIRUCGZ-UHFFFAOYSA-N -1 0 215.252 2.314 50 0 BEAARM O=C([O-])COc1ccc(Cl)c2cccnc12 ZINC000009239247 384237516 /nfs/dbraw/zinc/23/75/16/384237516.db2.gz ICJSJAJWTWPSBD-UHFFFAOYSA-N -1 0 237.642 2.352 50 0 BEAARM Cc1[nH]nc(C(=O)[O-])c1-c1ccccc1 ZINC000082237860 384217599 /nfs/dbraw/zinc/21/75/99/384217599.db2.gz DAAKPKWRIKQBQM-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM O=C([O-])c1csc2c1C1CCN2CC1 ZINC000010861818 384279587 /nfs/dbraw/zinc/27/95/87/384279587.db2.gz RKRVVOJCCOXOTP-UHFFFAOYSA-N -1 0 209.270 2.144 50 0 BEAARM O=C([O-])Cc1csc(Cc2ccccc2)n1 ZINC000011761035 384295135 /nfs/dbraw/zinc/29/51/35/384295135.db2.gz UJRCHAXRBQIJNK-UHFFFAOYSA-N -1 0 233.292 2.361 50 0 BEAARM O=C([O-])CCCOc1ccc2c(c1)CCC2 ZINC000011798427 384299246 /nfs/dbraw/zinc/29/92/46/384299246.db2.gz MQCWTCZQSLOSNO-UHFFFAOYSA-N -1 0 220.268 2.419 50 0 BEAARM O=C(c1c([O-])cccc1F)C(F)(F)F ZINC000075926833 384346814 /nfs/dbraw/zinc/34/68/14/384346814.db2.gz KSFNFJLUGOPZQK-UHFFFAOYSA-N -1 0 208.110 2.276 50 0 BEAARM Cc1c(C(=O)[O-])c(-c2ccccc2)nn1C ZINC000013483715 384362323 /nfs/dbraw/zinc/36/23/23/384362323.db2.gz DYGGJXVTZCRGTE-UHFFFAOYSA-N -1 0 216.240 2.094 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1(C)C ZINC000095743305 384393102 /nfs/dbraw/zinc/39/31/02/384393102.db2.gz AOJXKOSBUVHAIA-YUMQZZPRSA-N -1 0 243.303 2.010 50 0 BEAARM O=C([O-])Cc1nc2c(cccc2Cl)o1 ZINC000095831272 384402016 /nfs/dbraw/zinc/40/20/16/384402016.db2.gz FLWIVRCSEAYTRP-UHFFFAOYSA-N -1 0 211.604 2.108 50 0 BEAARM CCN(CC)c1ccc2c([O-])cc(=O)oc2c1 ZINC000095867969 384403549 /nfs/dbraw/zinc/40/35/49/384403549.db2.gz XTPBPGPAPLKZGO-UHFFFAOYSA-N -1 0 233.267 2.345 50 0 BEAARM O=C([O-])c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000095883986 384405710 /nfs/dbraw/zinc/40/57/10/384405710.db2.gz RFVCNOQBECTQJN-UHFFFAOYSA-N -1 0 242.230 2.321 50 0 BEAARM O=C([O-])CC1(n2cccc2)CCSCC1 ZINC000095475094 384378147 /nfs/dbraw/zinc/37/81/47/384378147.db2.gz BVIHULWARONGAQ-UHFFFAOYSA-N -1 0 225.313 2.185 50 0 BEAARM Nc1ncc(C(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000097757472 384555031 /nfs/dbraw/zinc/55/50/31/384555031.db2.gz BAQMGOIJPDQQCN-UHFFFAOYSA-N -1 0 249.657 2.077 50 0 BEAARM O=C([O-])CCNc1ccc(Br)cc1 ZINC000020133718 384583017 /nfs/dbraw/zinc/58/30/17/384583017.db2.gz MRQMMZRTPYMDPW-UHFFFAOYSA-N -1 0 244.088 2.336 50 0 BEAARM O=C([O-])c1cc(F)c(N2CCCC2)c(F)c1F ZINC000098210486 384605586 /nfs/dbraw/zinc/60/55/86/384605586.db2.gz UQDOTYVIDXPSQC-UHFFFAOYSA-N -1 0 245.200 2.402 50 0 BEAARM O=C([O-])CCc1cc(Cl)ccc1O ZINC000011953278 384611749 /nfs/dbraw/zinc/61/17/49/384611749.db2.gz ONNIBDHZMCXKPP-UHFFFAOYSA-N -1 0 200.621 2.063 50 0 BEAARM CC[C@@H](C)n1ncc(Cl)c1C(=O)[O-] ZINC000020313825 384612333 /nfs/dbraw/zinc/61/23/33/384612333.db2.gz YNGLSEGRQVBPLM-RXMQYKEDSA-N -1 0 202.641 2.206 50 0 BEAARM O=C([O-])/C=C/c1cccc(OC(F)F)c1 ZINC000020526719 384622199 /nfs/dbraw/zinc/62/21/99/384622199.db2.gz YAXXERXTVQNNBQ-SNAWJCMRSA-N -1 0 214.167 2.386 50 0 BEAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100219831 384624206 /nfs/dbraw/zinc/62/42/06/384624206.db2.gz PSQCMVQGPMFFCX-UHFFFAOYSA-N -1 0 228.173 2.184 50 0 BEAARM CCC(CC)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000022052766 384726703 /nfs/dbraw/zinc/72/67/03/384726703.db2.gz IWFUADFCRJVRNH-SECBINFHSA-N -1 0 245.319 2.401 50 0 BEAARM O=C([O-])[C@@H]1C[C@]12CCCc1ccccc12 ZINC000052126549 384716348 /nfs/dbraw/zinc/71/63/48/384716348.db2.gz WVRLFWFGLWUZBD-AAEUAGOBSA-N -1 0 202.253 2.365 50 0 BEAARM C[C@]1(c2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC000052126510 384716449 /nfs/dbraw/zinc/71/64/49/384716449.db2.gz KEZWLMCNLNEKOA-KBUNVGBDSA-N -1 0 212.195 2.327 50 0 BEAARM C[C@]1(c2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000052126512 384716729 /nfs/dbraw/zinc/71/67/29/384716729.db2.gz KEZWLMCNLNEKOA-KGFZYKRKSA-N -1 0 212.195 2.327 50 0 BEAARM O=C([O-])[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000084499328 384877327 /nfs/dbraw/zinc/87/73/27/384877327.db2.gz FPGYADRKFPWWLU-MRVPVSSYSA-N -1 0 225.675 2.251 50 0 BEAARM O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000054634106 384846775 /nfs/dbraw/zinc/84/67/75/384846775.db2.gz PRLQSBHXPDYLQU-GFCCVEGCSA-N -1 0 240.686 2.374 50 0 BEAARM CCc1c(C(=O)[O-])sc(=S)n1C ZINC000085392091 384941671 /nfs/dbraw/zinc/94/16/71/384941671.db2.gz ZWMZRHZKZMFRFO-UHFFFAOYSA-N -1 0 203.288 2.077 50 0 BEAARM Cc1ccc(CC(=O)[O-])cc1Br ZINC000057953339 384972474 /nfs/dbraw/zinc/97/24/74/384972474.db2.gz POUORGSHKJVFIC-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM CO[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000006483172 385194105 /nfs/dbraw/zinc/19/41/05/385194105.db2.gz OFASTQPKCTUSPZ-QMMMGPOBSA-N -1 0 200.621 2.112 50 0 BEAARM CCc1cc(-c2nc(CC(=O)[O-])cs2)ccn1 ZINC000064038048 385244399 /nfs/dbraw/zinc/24/43/99/385244399.db2.gz ABOGCRBFPDVSAU-UHFFFAOYSA-N -1 0 248.307 2.395 50 0 BEAARM Nc1cccc(-c2cccc(C(=O)[O-])n2)c1 ZINC000065347076 385301364 /nfs/dbraw/zinc/30/13/64/385301364.db2.gz APPZUWSRWDJQDL-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM CS[C@H](C)C(=O)Nc1cc(F)ccc1O ZINC000178328602 385356716 /nfs/dbraw/zinc/35/67/16/385356716.db2.gz SZLQCAJKFJTUBQ-ZCFIWIBFSA-N -1 0 229.276 2.221 50 0 BEAARM O=C([O-])CCc1conc1-c1ccccc1F ZINC000169676695 385416698 /nfs/dbraw/zinc/41/66/98/385416698.db2.gz QPWGAZBLNSOKBM-UHFFFAOYSA-N -1 0 235.214 2.498 50 0 BEAARM O=C([O-])C[C@@H]1CSc2ccccc2O1 ZINC000197178985 385525591 /nfs/dbraw/zinc/52/55/91/385525591.db2.gz SCDRFFVQCMNORR-SSDOTTSWSA-N -1 0 210.254 2.014 50 0 BEAARM Cc1cccc(CNc2cccc(C(=O)[O-])n2)n1 ZINC000051577173 385849783 /nfs/dbraw/zinc/84/97/83/385849783.db2.gz BIEAMGZKHNUIKR-UHFFFAOYSA-N -1 0 243.266 2.095 50 0 BEAARM O=C([O-])[C@H](O)c1c(Cl)cc(F)cc1Cl ZINC000263625404 386159369 /nfs/dbraw/zinc/15/93/69/386159369.db2.gz ZPLPOIYHPCKOCZ-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H]1CCCC[C@@H]1c1cccnc1 ZINC000062569311 386592754 /nfs/dbraw/zinc/59/27/54/386592754.db2.gz JVDWCSFNPJYXRT-GHMZBOCLSA-N -1 0 205.257 2.440 50 0 BEAARM Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000001452382 386993226 /nfs/dbraw/zinc/99/32/26/386993226.db2.gz MUPAOMLUTMORSO-GFCCVEGCSA-N -1 0 249.310 2.224 50 0 BEAARM CCO[N-]C(=O)Cn1c(C)cc2ccccc21 ZINC000045870907 387031714 /nfs/dbraw/zinc/03/17/14/387031714.db2.gz BIBOHILVMVOWQR-UHFFFAOYSA-N -1 0 232.283 2.017 50 0 BEAARM CC(C)C[C@H](NC(=O)CCC1CCC1)C(=O)[O-] ZINC000185317597 387041700 /nfs/dbraw/zinc/04/17/00/387041700.db2.gz YDUGBBWMTXDYDL-NSHDSACASA-N -1 0 241.331 2.182 50 0 BEAARM C[C@@H]1C[C@H](NC(=O)CCC(=O)[O-])CC(C)(C)C1 ZINC000001460400 387011215 /nfs/dbraw/zinc/01/12/15/387011215.db2.gz GJSNJHNTLVPVTH-ZJUUUORDSA-N -1 0 241.331 2.182 50 0 BEAARM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)[O-])c1 ZINC000006008560 177854028 /nfs/dbraw/zinc/85/40/28/177854028.db2.gz PDFCYYKNRDWHTC-JTQLQIEISA-N -1 0 208.257 2.464 50 0 BEAARM O=C([O-])c1coc(COc2cccc(F)c2)n1 ZINC000067772187 388407577 /nfs/dbraw/zinc/40/75/77/388407577.db2.gz ZGJDYVSWCBYCQR-UHFFFAOYSA-N -1 0 237.186 2.091 50 0 BEAARM CCC(CC)c1sc(N)nc1C(=O)[O-] ZINC000008763349 388408495 /nfs/dbraw/zinc/40/84/95/388408495.db2.gz XJEVVKPAYOIMGI-UHFFFAOYSA-N -1 0 214.290 2.327 50 0 BEAARM Cc1n[n-]c(Nc2ccc(C(C)C)cc2)nc1=O ZINC000008997660 388413437 /nfs/dbraw/zinc/41/34/37/388413437.db2.gz GCAUTMXRFHIPEM-UHFFFAOYSA-N -1 0 244.298 2.340 50 0 BEAARM CCO[N-]C(=O)CSCc1cccs1 ZINC000040476688 388417479 /nfs/dbraw/zinc/41/74/79/388417479.db2.gz UZNATWHQMXCZCT-UHFFFAOYSA-N -1 0 231.342 2.049 50 0 BEAARM O=C(C1=C([O-])c2ccoc2CC1)C(F)(F)F ZINC000002396152 388681960 /nfs/dbraw/zinc/68/19/60/388681960.db2.gz HXEAGBQMXLUQEO-ZCFIWIBFSA-N -1 0 232.157 2.156 50 0 BEAARM O=C([O-])c1ccc(OC(F)(F)F)nc1Cl ZINC000091364262 388628680 /nfs/dbraw/zinc/62/86/80/388628680.db2.gz PKESEAIWVBVHEB-UHFFFAOYSA-N -1 0 241.552 2.332 50 0 BEAARM C[C@@H]1CCCN(c2ncccc2C(=O)[O-])C1 ZINC000005720808 132318145 /nfs/dbraw/zinc/31/81/45/132318145.db2.gz NUYISFMPEWGRBC-SECBINFHSA-N -1 0 220.272 2.016 50 0 BEAARM O=C([O-])C1CCN(c2ccc(Cl)cn2)CC1 ZINC000022178543 132332637 /nfs/dbraw/zinc/33/26/37/132332637.db2.gz YOSRZAOSDZTMAM-UHFFFAOYSA-N -1 0 240.690 2.036 50 0 BEAARM CN(C)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000086684299 135093538 /nfs/dbraw/zinc/09/35/38/135093538.db2.gz QAUQTALSQIJXNX-UHFFFAOYSA-N -1 0 233.189 2.470 50 0 BEAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2CC2)c1 ZINC000263352048 135349154 /nfs/dbraw/zinc/34/91/54/135349154.db2.gz VWLQOGNOTDKMIH-QMMMGPOBSA-N -1 0 233.267 2.223 50 0 BEAARM O=Cc1cccn1Cc1cccc(C(=O)[O-])c1 ZINC000020447596 397964887 /nfs/dbraw/zinc/96/48/87/397964887.db2.gz IAISJSKPMHDWBN-UHFFFAOYSA-N -1 0 229.235 2.047 50 0 BEAARM O=[P@]([O-])(O)[C@@H](O)c1ccc2ccccc2c1 ZINC000028755857 397990517 /nfs/dbraw/zinc/99/05/17/397990517.db2.gz AMJJLDJPDLKNJA-LLVKDONJSA-N -1 0 238.179 2.008 50 0 in-vitro BEAARM O=C([O-])c1cccnc1OCc1ccccc1F ZINC000070079400 398125363 /nfs/dbraw/zinc/12/53/63/398125363.db2.gz WSLQGTOTPYXTMT-UHFFFAOYSA-N -1 0 247.225 2.498 50 0 BEAARM CCOC(=O)/C(=C/c1ccccc1)CC(=O)[O-] ZINC000003175937 170180320 /nfs/dbraw/zinc/18/03/20/170180320.db2.gz VEYDSHORJUTFLG-DHZHZOJOSA-N -1 0 234.251 2.108 50 0 BEAARM CCOC(=O)C=C([O-])c1ccccc1OCC ZINC000020475425 170197005 /nfs/dbraw/zinc/19/70/05/170197005.db2.gz QVZNRSWQQXYTTP-UHFFFAOYSA-N -1 0 236.267 2.221 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(C)c(C)c1 ZINC000020475433 170197676 /nfs/dbraw/zinc/19/76/76/170197676.db2.gz OWPLYYUFSYEWBK-UHFFFAOYSA-N -1 0 220.268 2.439 50 0 BEAARM CCOC([O-])=NC(=O)c1ccc2ccccc2n1 ZINC000004428134 170240852 /nfs/dbraw/zinc/24/08/52/170240852.db2.gz YFZAGYJXXLDHCI-UHFFFAOYSA-N -1 0 244.250 2.121 50 0 BEAARM CCOc1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000002582705 170570074 /nfs/dbraw/zinc/57/00/74/170570074.db2.gz RIDHVMSRVAXQTA-UHFFFAOYSA-N -1 0 205.213 2.265 50 0 BEAARM CCOc1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000015443613 170602263 /nfs/dbraw/zinc/60/22/63/170602263.db2.gz KSDCEAAVFJOFHJ-UHFFFAOYSA-N -1 0 241.190 2.259 50 0 BEAARM CC[C@@H](C)OC1CCC(C(=O)[O-])CC1 ZINC000160554706 170762291 /nfs/dbraw/zinc/76/22/91/170762291.db2.gz ITWGUQBIOFVUEC-XNWIYYODSA-N -1 0 200.278 2.445 50 0 BEAARM CC[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000086860099 171157697 /nfs/dbraw/zinc/15/76/97/171157697.db2.gz DCNSLQDWJVZTBS-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM CC[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000062878475 171198190 /nfs/dbraw/zinc/19/81/90/171198190.db2.gz PZMPMVBJNRCKRV-GFCCVEGCSA-N -1 0 243.303 2.108 50 0 BEAARM CC[C@H](C(=O)[O-])n1nc(C(F)(F)F)cc1C ZINC000002535193 171238304 /nfs/dbraw/zinc/23/83/04/171238304.db2.gz XKONCEKLNBIPLF-ZCFIWIBFSA-N -1 0 236.193 2.246 50 0 BEAARM CC[C@H](C(=O)[O-])n1nc(C)c(Cl)c1C ZINC000002535190 171238781 /nfs/dbraw/zinc/23/87/81/171238781.db2.gz VNDONJWLQOJHSX-SSDOTTSWSA-N -1 0 216.668 2.189 50 0 BEAARM CC[C@H](C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000104266066 171250743 /nfs/dbraw/zinc/25/07/43/171250743.db2.gz NIJKJYRKKGTJCR-JTQLQIEISA-N -1 0 249.310 2.090 50 0 BEAARM CC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013944178 171254789 /nfs/dbraw/zinc/25/47/89/171254789.db2.gz FVZDXTRSJQNAHV-QMMMGPOBSA-N -1 0 221.256 2.369 50 0 BEAARM CC[C@H](C)[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000005155445 171383048 /nfs/dbraw/zinc/38/30/48/171383048.db2.gz SDNDNHOVHJTJPB-JOYOIKCWSA-N -1 0 247.294 2.142 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(CC)cc1 ZINC000011888069 171781282 /nfs/dbraw/zinc/78/12/82/171781282.db2.gz NTGRWBWRSURDKW-UHFFFAOYSA-N -1 0 245.282 2.090 50 0 BEAARM CCc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)s1 ZINC000000205123 171845655 /nfs/dbraw/zinc/84/56/55/171845655.db2.gz BFIUXTYFWMAWJJ-CBAPKCEASA-N -1 0 243.353 2.099 50 0 BEAARM CCc1ccc2cccc(C(=O)[O-])c2n1 ZINC000238292495 171850619 /nfs/dbraw/zinc/85/06/19/171850619.db2.gz YJGVYEBBPDZAGC-UHFFFAOYSA-N -1 0 201.225 2.495 50 0 BEAARM CCc1cccc2c(C=O)cn(CC(=O)[O-])c21 ZINC000000619425 171867551 /nfs/dbraw/zinc/86/75/51/171867551.db2.gz SXEFNNLRZWHIKN-UHFFFAOYSA-N -1 0 231.251 2.101 50 0 BEAARM CCc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000013142477 172009307 /nfs/dbraw/zinc/00/93/07/172009307.db2.gz MKBGYAFFDQAUNU-UHFFFAOYSA-N -1 0 214.224 2.232 50 0 BEAARM CCc1nc2ccccc2n1CCC(=O)[O-] ZINC000169313764 172014422 /nfs/dbraw/zinc/01/44/22/172014422.db2.gz UJFYGDSZLPZQCJ-UHFFFAOYSA-N -1 0 218.256 2.073 50 0 BEAARM CCn1c(=O)c2ccc(C)cc2[n-]c1=S ZINC000214080361 172133566 /nfs/dbraw/zinc/13/35/66/172133566.db2.gz UBEHMJIPILFMCN-UHFFFAOYSA-N -1 0 220.297 2.387 50 0 BEAARM CCn1c(C(=O)[O-])cc2c1cc(OC)cc2OC ZINC000038392880 172133876 /nfs/dbraw/zinc/13/38/76/172133876.db2.gz VOXGSKFIZLPRFP-UHFFFAOYSA-N -1 0 249.266 2.377 50 0 BEAARM CN(C(=O)c1ccco1)c1ccccc1C(=O)[O-] ZINC000000293778 172344726 /nfs/dbraw/zinc/34/47/26/172344726.db2.gz XUTOVKFGVYNJCP-UHFFFAOYSA-N -1 0 245.234 2.254 50 0 BEAARM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000040558955 172382573 /nfs/dbraw/zinc/38/25/73/172382573.db2.gz VSIRVBZUTZORMG-UHFFFAOYSA-N -1 0 242.662 2.132 50 0 BEAARM COc1ccc(-c2ccnc(C(=O)[O-])c2)cc1 ZINC000065347348 175035357 /nfs/dbraw/zinc/03/53/57/175035357.db2.gz CVSCUULRPFQZFO-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(-c2nc(CC(=O)[O-])c(C)o2)cc1 ZINC000049632728 175038487 /nfs/dbraw/zinc/03/84/87/175038487.db2.gz AKJCQPKXTTTWCR-UHFFFAOYSA-N -1 0 247.250 2.286 50 0 BEAARM COc1ccc(CC(=S)C(=O)[O-])cc1 ZINC000100338038 175046644 /nfs/dbraw/zinc/04/66/44/175046644.db2.gz AMARKEGDFSBLFC-RMKNXTFCSA-N -1 0 210.254 2.051 50 0 BEAARM COc1ccc(C(=O)[O-])c(OCC(C)C)c1 ZINC000049854382 175064597 /nfs/dbraw/zinc/06/45/97/175064597.db2.gz MILGKKTWSJMZRN-UHFFFAOYSA-N -1 0 224.256 2.428 50 0 BEAARM COc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000090548106 175064812 /nfs/dbraw/zinc/06/48/12/175064812.db2.gz PHSHCIBRNMLSBJ-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1ccc(CCC(=O)[O-])c(C)c1C ZINC000019899201 175088526 /nfs/dbraw/zinc/08/85/26/175088526.db2.gz RKCLKLBZSLZISS-UHFFFAOYSA-N -1 0 208.257 2.329 50 0 BEAARM COc1ccc(Cl)c(NCCC(=O)[O-])c1 ZINC000000254918 175118992 /nfs/dbraw/zinc/11/89/92/175118992.db2.gz LNAFVOMCSWVASR-UHFFFAOYSA-N -1 0 229.663 2.235 50 0 BEAARM COc1ccc([C@H](C)CC(=O)[O-])c(OC)c1 ZINC000020259973 175187612 /nfs/dbraw/zinc/18/76/12/175187612.db2.gz MSGSKCGRIYQKNH-MRVPVSSYSA-N -1 0 224.256 2.282 50 0 BEAARM COc1ccc2c(cccc2CC(=O)[O-])c1 ZINC000022129872 175205049 /nfs/dbraw/zinc/20/50/49/175205049.db2.gz LOWWSYWGAKCKLG-UHFFFAOYSA-N -1 0 216.236 2.476 50 0 BEAARM COc1ccc2c(c1)CCC(C(C)=O)=C2[O-] ZINC000020413547 175209809 /nfs/dbraw/zinc/20/98/09/175209809.db2.gz OMYIBACGBPVSCE-LLVKDONJSA-N -1 0 218.252 2.029 50 0 BEAARM COc1ccc2c(c1)[C@@H](CC(=O)[O-])CC2 ZINC000006018774 175213304 /nfs/dbraw/zinc/21/33/04/175213304.db2.gz ALAUISTUIQUUFF-SECBINFHSA-N -1 0 206.241 2.200 50 0 BEAARM COc1ccc2c(c1)[C@H](CC(=O)[O-])CC2 ZINC000006018756 175215127 /nfs/dbraw/zinc/21/51/27/175215127.db2.gz ALAUISTUIQUUFF-VIFPVBQESA-N -1 0 206.241 2.200 50 0 BEAARM COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)[O-] ZINC000034929345 175217734 /nfs/dbraw/zinc/21/77/34/175217734.db2.gz DWNZWHKHMKQWFS-UHFFFAOYSA-N -1 0 242.234 2.423 50 0 BEAARM COc1ccc2ccccc2c1S(=O)[O-] ZINC000001398678 175226497 /nfs/dbraw/zinc/22/64/97/175226497.db2.gz LTYLMVLQAQBDRK-UHFFFAOYSA-N -1 0 222.265 2.429 50 0 BEAARM COc1cccc(-c2nc(C(=O)[O-])c(C)[nH]2)c1 ZINC000038078069 175235814 /nfs/dbraw/zinc/23/58/14/175235814.db2.gz AUDLYIASJFZXMS-UHFFFAOYSA-N -1 0 232.239 2.092 50 0 BEAARM COc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000043878955 175247608 /nfs/dbraw/zinc/24/76/08/175247608.db2.gz LXXNRXBNXLZTQY-WDEREUQCSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc2c(C)c(C(=O)[O-])[nH]c21 ZINC000000795174 175298316 /nfs/dbraw/zinc/29/83/16/175298316.db2.gz SNDRJHVKDDIAPY-UHFFFAOYSA-N -1 0 205.213 2.183 50 0 BEAARM COc1ccccc1-c1noc(C)c1C(=O)[O-] ZINC000004992746 175311704 /nfs/dbraw/zinc/31/17/04/175311704.db2.gz KOQSJBSGCNLIJY-UHFFFAOYSA-N -1 0 233.223 2.357 50 0 BEAARM COc1cn(CCC(=O)[O-])c2ccccc12 ZINC000000502129 175380803 /nfs/dbraw/zinc/38/08/03/175380803.db2.gz KLDGYAUKLPVNOE-UHFFFAOYSA-N -1 0 219.240 2.125 50 0 BEAARM COc1cncc(-c2cccc(C(=O)[O-])c2)c1 ZINC000085210175 175382700 /nfs/dbraw/zinc/38/27/00/175382700.db2.gz YPWKEGOCVGNLJE-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000000393599 176001624 /nfs/dbraw/zinc/00/16/24/176001624.db2.gz NRAOBMLLDCDJMV-ZCFIWIBFSA-N -1 0 243.646 2.362 50 0 BEAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000000155444 176003895 /nfs/dbraw/zinc/00/38/95/176003895.db2.gz DKHJWWRYTONYHB-ZCFIWIBFSA-N -1 0 200.621 2.192 50 0 in-vitro BEAARM C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000019687228 176009808 /nfs/dbraw/zinc/00/98/08/176009808.db2.gz ZOUQEZRWVQATMA-SSDOTTSWSA-N -1 0 240.280 2.023 50 0 BEAARM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000034304647 176159768 /nfs/dbraw/zinc/15/97/68/176159768.db2.gz LTNNUMKAWAGPIS-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000034304646 176160226 /nfs/dbraw/zinc/16/02/26/176160226.db2.gz LTNNUMKAWAGPIS-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1 ZINC000004690885 176601607 /nfs/dbraw/zinc/60/16/07/176601607.db2.gz IFZUSRLWTZPENL-QWRGUYRKSA-N -1 0 249.310 2.365 50 0 BEAARM C[C@H](CC(=O)[O-])n1cnc2ccccc21 ZINC000004997813 176604216 /nfs/dbraw/zinc/60/42/16/176604216.db2.gz KHIYKLPZLVFSAZ-MRVPVSSYSA-N -1 0 204.229 2.072 50 0 BEAARM C[C@H](Sc1cnc2ccccc2n1)C(=O)[O-] ZINC000003016019 177030282 /nfs/dbraw/zinc/03/02/82/177030282.db2.gz BXEUQCFQLZLPFJ-ZETCQYMHSA-N -1 0 234.280 2.195 50 0 BEAARM Cc1[nH]c(-c2ccncc2)cc1C(=O)[O-] ZINC000083221996 177502308 /nfs/dbraw/zinc/50/23/08/177502308.db2.gz NGHAENOTAMOHBC-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM N#C/C(=C\c1csc(-c2ccco2)n1)C(=O)[O-] ZINC000096401880 269943748 /nfs/dbraw/zinc/94/37/48/269943748.db2.gz OFYMTTZEJUFJGT-QPJJXVBHSA-N -1 0 246.247 2.395 50 0 BEAARM O=C([O-])c1cncc(-c2cccc3ccnn32)c1 ZINC000534671627 323158853 /nfs/dbraw/zinc/15/88/53/323158853.db2.gz XKLJSDURMLVXJE-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM CCc1cccc(Cl)c1CN(C)CC(=O)[O-] ZINC000263437432 535888840 /nfs/dbraw/zinc/88/88/40/535888840.db2.gz VBBRGQDHXLIZCK-UHFFFAOYSA-N -1 0 241.718 2.419 50 0 BEAARM CNc1cc(C)nc(-c2ccccc2[O-])n1 ZINC000032578093 641388011 /nfs/dbraw/zinc/38/80/11/641388011.db2.gz SKHGCFCQKBHCTB-UHFFFAOYSA-N -1 0 215.256 2.199 50 0 BEAARM C[C@H](Nc1cccc(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000159231438 641672882 /nfs/dbraw/zinc/67/28/82/641672882.db2.gz ZLVBTGKTRADQNE-GXSJLCMTSA-N -1 0 235.283 2.222 50 0 BEAARM C[C@H]1CCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000086678883 644163842 /nfs/dbraw/zinc/16/38/42/644163842.db2.gz IDFDGFSMIICWGS-UFBFGSQYSA-N -1 0 243.303 2.155 50 0 BEAARM CC/C=C(/C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000097020646 644863450 /nfs/dbraw/zinc/86/34/50/644863450.db2.gz HWVPFVQGWDUDGI-NTMALXAHSA-N -1 0 241.331 2.350 50 0 BEAARM C/C=C(/C)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000097036122 644864694 /nfs/dbraw/zinc/86/46/94/644864694.db2.gz PQFUXOZRCDGYTL-WMZJFQQLSA-N -1 0 239.315 2.102 50 0 BEAARM O=C([O-])c1ccc(-c2nnc3ccccn32)s1 ZINC000534636249 712087022 /nfs/dbraw/zinc/08/70/22/712087022.db2.gz AALKNQKVXNFHJU-UHFFFAOYSA-N -1 0 245.263 2.156 50 0 BEAARM C[C@@H](Nc1cnc(C(=O)[O-])cn1)C1=CCCCC1 ZINC001506401926 988770341 /nfs/dbraw/zinc/77/03/41/988770341.db2.gz OUEUYAFKFJENKV-SECBINFHSA-N -1 0 247.298 2.476 50 0 BEAARM CCC(CC)(CNC(=O)c1ccccc1)C(=O)[O-] ZINC000097020627 168326138 /nfs/dbraw/zinc/32/61/38/168326138.db2.gz GXIJXBZROHUHNP-UHFFFAOYSA-N -1 0 249.310 2.307 50 0 BEAARM Cc1cc(Cl)c(Cl)c([C@@H](O)C(=O)[O-])c1 ZINC000263624610 178061061 /nfs/dbraw/zinc/06/10/61/178061061.db2.gz RXPXAAMFVJELBG-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1ccc2nc(N(C)CC(=O)[O-])sc2c1 ZINC000074934173 398209907 /nfs/dbraw/zinc/20/99/07/398209907.db2.gz STPYRNRCTBRECA-UHFFFAOYSA-N -1 0 236.296 2.126 50 0 BEAARM Cc1cc([O-])cc2occ(-c3ccon3)c(=O)c12 ZINC000006556534 178199368 /nfs/dbraw/zinc/19/93/68/178199368.db2.gz FZVRPKIOJUXTGE-UHFFFAOYSA-N -1 0 243.218 2.462 50 0 BEAARM Cc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000100006610 178201954 /nfs/dbraw/zinc/20/19/54/178201954.db2.gz MWXRUCJYTLLVFT-UHFFFAOYSA-N -1 0 225.251 2.410 50 0 BEAARM O=C([O-])c1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000036439084 343992358 /nfs/dbraw/zinc/99/23/58/343992358.db2.gz GGTQVIUWLUDQKR-UHFFFAOYSA-N -1 0 219.555 2.086 50 0 BEAARM Cc1ccc(-c2nc(CC(=O)[O-])cs2)o1 ZINC000020282935 178334650 /nfs/dbraw/zinc/33/46/50/178334650.db2.gz YDVDHYNCXQZRMG-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM Cc1ccc(-c2oncc2C(=O)[O-])cc1 ZINC000008700118 178345069 /nfs/dbraw/zinc/34/50/69/178345069.db2.gz NLFMOVWMUZZROZ-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1ccc(Br)cc1CC(=O)[O-] ZINC000040447880 178362275 /nfs/dbraw/zinc/36/22/75/178362275.db2.gz KZGAACARPAMSTO-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM Cc1ccc(C(=O)NCCCCC(=O)[O-])cc1C ZINC000070198090 178407127 /nfs/dbraw/zinc/40/71/27/178407127.db2.gz CMPWRIYZVQVIED-UHFFFAOYSA-N -1 0 249.310 2.288 50 0 BEAARM COC(=O)c1scc(C)c1[N-]C(=S)OC ZINC000000082715 342673471 /nfs/dbraw/zinc/67/34/71/342673471.db2.gz VLXSYWHIVQOISU-UHFFFAOYSA-N -1 0 245.325 2.186 50 0 BEAARM CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000000121527 342675405 /nfs/dbraw/zinc/67/54/05/342675405.db2.gz YQJPHNLITLRBAJ-UHFFFAOYSA-N -1 0 239.296 2.284 50 0 BEAARM Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000000143585 342676986 /nfs/dbraw/zinc/67/69/86/342676986.db2.gz SIAQBSDQFZWINQ-UHFFFAOYSA-N -1 0 245.072 2.221 50 0 BEAARM Cn1nc(-c2ccccc2)c(C(=O)[O-])c1Cl ZINC000000168664 342679035 /nfs/dbraw/zinc/67/90/35/342679035.db2.gz HHJCGJQZUGPCRH-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM O=C(c1ccccc1)c1ccc(O)cc1[O-] ZINC000000225430 342680700 /nfs/dbraw/zinc/68/07/00/342680700.db2.gz ZXDDPOHVAMWLBH-UHFFFAOYSA-N -1 0 214.220 2.329 50 0 in-vitro BEAARM CC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000287834 342682336 /nfs/dbraw/zinc/68/23/36/342682336.db2.gz HGYDTYONFLKGIQ-UHFFFAOYSA-N -1 0 221.256 2.369 50 0 BEAARM Cc1ccc(NC(=O)CCCC(=O)[O-])cc1C ZINC000000397909 342686449 /nfs/dbraw/zinc/68/64/49/342686449.db2.gz NOXQZKXKLREWJO-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM Cc1c(F)c(F)c(C(=O)[O-])c(F)c1F ZINC000000409320 342687039 /nfs/dbraw/zinc/68/70/39/342687039.db2.gz COOULIOYEXBFDT-UHFFFAOYSA-N -1 0 208.110 2.250 50 0 BEAARM Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000000057901 342672173 /nfs/dbraw/zinc/67/21/73/342672173.db2.gz JTXAGHXRIBLWES-UHFFFAOYSA-N -1 0 210.616 2.460 50 0 in-vitro BEAARM O=C1NC(=O)C(=Cc2ccccc2)S1 ZINC000001042222 342696183 /nfs/dbraw/zinc/69/61/83/342696183.db2.gz SGIZECXZFLAGBW-VURMDHGXSA-N -1 0 205.238 2.011 50 0 BEAARM Cn1ccnc1SCc1ccc(C(=O)[O-])cc1 ZINC000001195488 342698024 /nfs/dbraw/zinc/69/80/24/342698024.db2.gz PQWKDSYVFUFGHU-UHFFFAOYSA-N -1 0 248.307 2.411 50 0 BEAARM O=C([O-])C1(c2ccccc2)CCC(=O)CC1 ZINC000001593279 342704884 /nfs/dbraw/zinc/70/48/84/342704884.db2.gz GLXVJOPRMXBHSI-UHFFFAOYSA-N -1 0 218.252 2.152 50 0 BEAARM Cc1cc(C)cc(C(=O)CCC(=O)[O-])c1 ZINC000002378651 342719280 /nfs/dbraw/zinc/71/92/80/342719280.db2.gz WDDSSQHQVXZHCA-UHFFFAOYSA-N -1 0 206.241 2.351 50 0 BEAARM Cc1ccc(Cl)cc1NC(=O)/C=C\C(=O)[O-] ZINC000001646542 342707073 /nfs/dbraw/zinc/70/70/73/342707073.db2.gz KFLFGXYJSLVOCF-PLNGDYQASA-N -1 0 239.658 2.228 50 0 BEAARM COc1cc(/C=C(/C)[N+](=O)[O-])ccc1O ZINC000001666698 342707493 /nfs/dbraw/zinc/70/74/93/342707493.db2.gz FDLWTEUMNRJFCS-ALCCZGGFSA-N -1 0 209.201 2.038 50 0 in-vitro BEAARM Cc1cc(C(=O)CCC(=O)[O-])c(C)s1 ZINC000001692671 342709414 /nfs/dbraw/zinc/70/94/14/342709414.db2.gz KGHDSIBUTCYURM-UHFFFAOYSA-N -1 0 212.270 2.412 50 0 BEAARM O=C([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000002022417 342714627 /nfs/dbraw/zinc/71/46/27/342714627.db2.gz YZERDTREOUSUHF-UHFFFAOYSA-N -1 0 212.073 2.080 50 0 in-vitro BEAARM O=C([O-])c1c(Cl)ccc(Cl)c1O ZINC000002026917 342714730 /nfs/dbraw/zinc/71/47/30/342714730.db2.gz FKIKPQHMWFZFEB-UHFFFAOYSA-N -1 0 207.012 2.397 50 0 in-vitro BEAARM CC(C)(C)n1ncc(C(=O)[O-])c1C(F)(F)F ZINC000004051142 342741243 /nfs/dbraw/zinc/74/12/43/342741243.db2.gz LBPZUNLSYYEDFB-UHFFFAOYSA-N -1 0 236.193 2.355 50 0 BEAARM Nc1cc(C(=O)[O-])ccc1N1CCCCCC1 ZINC000004079154 342742061 /nfs/dbraw/zinc/74/20/61/342742061.db2.gz PNAOMCRVWSJFAJ-UHFFFAOYSA-N -1 0 234.299 2.347 50 0 BEAARM O=C([O-])c1ccc(OCC(F)(F)F)cc1 ZINC000004105573 342742592 /nfs/dbraw/zinc/74/25/92/342742592.db2.gz FXWBYMLSQLQXAR-UHFFFAOYSA-N -1 0 220.146 2.326 50 0 BEAARM Cc1[n-][nH]c(=O)c1Sc1nc2ccccc2[nH]1 ZINC000004135527 342743159 /nfs/dbraw/zinc/74/31/59/342743159.db2.gz FAXFJUIDOCYHTC-UHFFFAOYSA-N -1 0 246.295 2.451 50 0 BEAARM O=C([O-])c1cc(Br)cc2[nH]cnc21 ZINC000004203468 342743884 /nfs/dbraw/zinc/74/38/84/342743884.db2.gz UPXJWWRKIMKJCY-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccccc1NCc1cccnc1 ZINC000004413492 342747719 /nfs/dbraw/zinc/74/77/19/342747719.db2.gz QSJNZGFTQBXPNM-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002569779 342724702 /nfs/dbraw/zinc/72/47/02/342724702.db2.gz PUQVQDMFCAGQQB-MRVPVSSYSA-N -1 0 245.319 2.401 50 0 BEAARM O=C([O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000003065282 342730121 /nfs/dbraw/zinc/73/01/21/342730121.db2.gz SFDOUCZRVOYGNG-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=c1cc(-c2ccccn2)[n-]n1-c1ccccc1 ZINC000005103497 342758082 /nfs/dbraw/zinc/75/80/82/342758082.db2.gz DNRWJXHJUQHCAD-UHFFFAOYSA-N -1 0 237.262 2.223 50 0 BEAARM CCCCS(=O)(=O)Nc1ccccc1OC ZINC000005259977 342760916 /nfs/dbraw/zinc/76/09/16/342760916.db2.gz WSGDJHLDZINPRB-UHFFFAOYSA-N -1 0 243.328 2.237 50 0 BEAARM C[C@@]1(CC(=O)[O-])OCCc2sccc21 ZINC000005722541 342768724 /nfs/dbraw/zinc/76/87/24/342768724.db2.gz MBZWBAMMUGJINB-JTQLQIEISA-N -1 0 212.270 2.011 50 0 BEAARM Fc1ccc(OCc2n[n-]c(=S)o2)cc1 ZINC000006052293 342773060 /nfs/dbraw/zinc/77/30/60/342773060.db2.gz OORHMFJXRFYOKV-UHFFFAOYSA-N -1 0 226.232 2.076 50 0 BEAARM CCc1cc2c([n-]c(=S)n(C)c2=O)s1 ZINC000006496867 342778509 /nfs/dbraw/zinc/77/85/09/342778509.db2.gz KGHKMMOAANAPLU-UHFFFAOYSA-N -1 0 226.326 2.220 50 0 BEAARM O=C([O-])c1cc(Cl)c(F)c(F)c1F ZINC000002384031 342777171 /nfs/dbraw/zinc/77/71/71/342777171.db2.gz GWEORAFZBMNWGX-UHFFFAOYSA-N -1 0 210.538 2.456 50 0 BEAARM O=C([O-])c1cc(=O)[nH]c2c(Cl)cccc12 ZINC000008691839 342802016 /nfs/dbraw/zinc/80/20/16/342802016.db2.gz UFSAYZLIVFQSAD-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM O=C([O-])c1cc(-c2cccc(F)c2)no1 ZINC000006681897 342780948 /nfs/dbraw/zinc/78/09/48/342780948.db2.gz UFBUQALMQUCGQA-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM CCCc1c(C(=O)[O-])nnn1-c1ccccc1F ZINC000037312296 361902528 /nfs/dbraw/zinc/90/25/28/361902528.db2.gz LNCBIKRQIUXEOO-UHFFFAOYSA-N -1 0 249.245 2.057 50 0 BEAARM O=C([O-])c1cnn(Cc2ccccc2Cl)c1 ZINC000007989016 342795352 /nfs/dbraw/zinc/79/53/52/342795352.db2.gz CUDHNDFUGXHTRN-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM O=C([O-])c1ccc(OCc2ccccn2)cc1 ZINC000009239053 342810851 /nfs/dbraw/zinc/81/08/51/342810851.db2.gz FONKVXGQOAAQSQ-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM CSc1nc(C2CC2)nc(C)c1C(=O)[O-] ZINC000008983780 342806661 /nfs/dbraw/zinc/80/66/61/342806661.db2.gz ORRAMJLEFDQGPH-UHFFFAOYSA-N -1 0 224.285 2.083 50 0 BEAARM CCCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000011638308 342842231 /nfs/dbraw/zinc/84/22/31/342842231.db2.gz QGKAUPFJFHCVPR-UHFFFAOYSA-N -1 0 221.256 2.052 50 0 BEAARM CCCCC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000011638446 342842245 /nfs/dbraw/zinc/84/22/45/342842245.db2.gz CTEGJZWAHPNQJC-UHFFFAOYSA-N -1 0 237.255 2.219 50 0 BEAARM CCCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000011799400 342843566 /nfs/dbraw/zinc/84/35/66/342843566.db2.gz BCGAQLXZWYPDCJ-VIFPVBQESA-N -1 0 208.257 2.491 50 0 BEAARM CCCC(=O)C1=C([O-])c2ccccc2C1 ZINC000109252725 539027953 /nfs/dbraw/zinc/02/79/53/539027953.db2.gz QCJLXVFKADIPAY-LLVKDONJSA-N -1 0 202.253 2.411 50 0 BEAARM Cc1cncc(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000012370727 342850389 /nfs/dbraw/zinc/85/03/89/342850389.db2.gz PPGBPVGCYRDKMI-UHFFFAOYSA-N -1 0 230.223 2.276 50 0 BEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000012411972 342851786 /nfs/dbraw/zinc/85/17/86/342851786.db2.gz FXOKZDRRFCNBDA-YPMHNXCESA-N -1 0 247.294 2.071 50 0 BEAARM CSc1nc(C(C)C)nc(C)c1C(=O)[O-] ZINC000012769728 342857746 /nfs/dbraw/zinc/85/77/46/342857746.db2.gz XALUAHKMELSHCZ-UHFFFAOYSA-N -1 0 226.301 2.329 50 0 BEAARM CCCCc1nc(C)c(CC(=O)[O-])s1 ZINC000036221011 342897913 /nfs/dbraw/zinc/89/79/13/342897913.db2.gz BKFQAYYXBLAQIM-UHFFFAOYSA-N -1 0 213.302 2.421 50 0 BEAARM CC(C)(C)OC(=O)N=c1[n-]c(C=O)cs1 ZINC000016082596 342905996 /nfs/dbraw/zinc/90/59/96/342905996.db2.gz WJJQIZYBOFGKLA-UHFFFAOYSA-N -1 0 228.273 2.303 50 0 BEAARM O=C([O-])c1ccc(Br)c(F)c1F ZINC000016159968 342907635 /nfs/dbraw/zinc/90/76/35/342907635.db2.gz IRUDFVTZXQTEFN-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM Cc1ccc(C)c(-c2nnc(/C=C\C(=O)[O-])o2)c1 ZINC000033312377 178462636 /nfs/dbraw/zinc/46/26/36/178462636.db2.gz ZJRMTZSJPDNTCV-WAYWQWQTSA-N -1 0 244.250 2.451 50 0 BEAARM CC(C)CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019280770 342945075 /nfs/dbraw/zinc/94/50/75/342945075.db2.gz NSCQUVFNAULNDA-UHFFFAOYSA-N -1 0 235.283 2.047 50 0 BEAARM O=C([O-])c1ccc(-n2ccnc2)cc1Cl ZINC000061848413 398344477 /nfs/dbraw/zinc/34/44/77/398344477.db2.gz FBFTXXXJKPKWHV-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])c1cccn1Cc1cccs1 ZINC000019802951 342958573 /nfs/dbraw/zinc/95/85/73/342958573.db2.gz ONXQVRCIJMWQJR-UHFFFAOYSA-N -1 0 207.254 2.296 50 0 BEAARM O=C([O-])c1cnc(N2CCCC2)c(Cl)c1 ZINC000019844536 342959430 /nfs/dbraw/zinc/95/94/30/342959430.db2.gz HDCDDGUJIBDWJF-UHFFFAOYSA-N -1 0 226.663 2.033 50 0 BEAARM O=C([O-])c1ccnc(NC2CCCC2)c1 ZINC000019844615 342959593 /nfs/dbraw/zinc/95/95/93/342959593.db2.gz NNHLQOZJRIRQQU-UHFFFAOYSA-N -1 0 206.245 2.134 50 0 BEAARM CCCCN(C)c1cc(C(=O)[O-])ccn1 ZINC000019844924 342959919 /nfs/dbraw/zinc/95/99/19/342959919.db2.gz ICBHWWAWCPDMAL-UHFFFAOYSA-N -1 0 208.261 2.016 50 0 BEAARM CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020256524 342978880 /nfs/dbraw/zinc/97/88/80/342978880.db2.gz DZBZQKYVJVPROE-UHFFFAOYSA-N -1 0 236.271 2.305 50 0 BEAARM Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000020285151 342980662 /nfs/dbraw/zinc/98/06/62/342980662.db2.gz XOKOKKYICGXCKD-LLVKDONJSA-N -1 0 248.282 2.076 50 0 BEAARM O=C([O-])c1ccc(-c2cncc(Cl)n2)cc1 ZINC000020357712 342983284 /nfs/dbraw/zinc/98/32/84/342983284.db2.gz CFAXENPLOVZDDF-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000020417923 342984796 /nfs/dbraw/zinc/98/47/96/342984796.db2.gz AYKZOQRXUFLNNK-UHFFFAOYSA-N -1 0 220.203 2.222 50 0 BEAARM CC(C)c1cc2nc(C(=O)[O-])cc(C3CC3)n2n1 ZINC000041292332 342995974 /nfs/dbraw/zinc/99/59/74/342995974.db2.gz RNBWTXWYXLYXFL-UHFFFAOYSA-N -1 0 245.282 2.428 50 0 BEAARM CCOc1cc(N)c(Cl)cc1C(=O)[O-] ZINC000021297315 343008807 /nfs/dbraw/zinc/00/88/07/343008807.db2.gz XWGYOMHQGQZRLC-UHFFFAOYSA-N -1 0 215.636 2.019 50 0 BEAARM C[C@@H](C(=O)[O-])c1ccc2ncccc2c1 ZINC000021304020 343009375 /nfs/dbraw/zinc/00/93/75/343009375.db2.gz PZEAPGRLLGDEEL-MRVPVSSYSA-N -1 0 201.225 2.423 50 0 BEAARM Cc1oc2c(c1C(=O)[O-])C(=O)CC(C)(C)C2 ZINC000022126468 343040719 /nfs/dbraw/zinc/04/07/19/343040719.db2.gz RVUBGUZEGNBNED-UHFFFAOYSA-N -1 0 222.240 2.441 50 0 biogenic BEAARM O=C([O-])C(=O)c1cccc2ccccc21 ZINC000021993167 343032507 /nfs/dbraw/zinc/03/25/07/343032507.db2.gz ACXGUQLILSWMPT-UHFFFAOYSA-N -1 0 200.193 2.107 50 0 BEAARM Cc1cccc(-c2ccc(C(=O)[O-])c(=O)[nH]2)c1 ZINC000022077262 343039448 /nfs/dbraw/zinc/03/94/48/343039448.db2.gz BFUVPLKCVZCRES-UHFFFAOYSA-N -1 0 229.235 2.049 50 0 BEAARM CCCC[C@@H](CC)COC(=O)/C=C\C(=O)[O-] ZINC000028630669 343130579 /nfs/dbraw/zinc/13/05/79/343130579.db2.gz IQBLWPLYPNOTJC-GQYWMQPJSA-N -1 0 228.288 2.387 50 0 BEAARM CC(C)c1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000000098736 187244113 /nfs/dbraw/zinc/24/41/13/187244113.db2.gz JAIFLOKONOVSRR-BQYQJAHWSA-N -1 0 233.267 2.389 50 0 BEAARM O=C([O-])c1ccc(Cl)cc1N1CCCC1=O ZINC000004218429 187247104 /nfs/dbraw/zinc/24/71/04/187247104.db2.gz ZHYKUDYDCHFXRN-UHFFFAOYSA-N -1 0 239.658 2.165 50 0 BEAARM Cc1[nH]c(-c2ccccc2)nc1C(=O)[O-] ZINC000005116121 187247547 /nfs/dbraw/zinc/24/75/47/187247547.db2.gz NEDPOZZCAYIDNP-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 in-vitro BEAARM FCCCSc1n[n-]c(=S)s1 ZINC000005612421 187247955 /nfs/dbraw/zinc/24/79/55/187247955.db2.gz ONUCYHOUHWGGPL-UHFFFAOYSA-N -1 0 210.324 2.279 50 0 BEAARM CC(C)(Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000005831010 187248282 /nfs/dbraw/zinc/24/82/82/187248282.db2.gz UKOIJAUCGQUMDV-UHFFFAOYSA-N -1 0 220.268 2.417 50 0 BEAARM Cn1nc(-c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000006072262 187248301 /nfs/dbraw/zinc/24/83/01/187248301.db2.gz FNZUGHJDLQTKKA-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM CC(=O)Nc1sc(Cl)cc1C(=O)[O-] ZINC000002243964 187245156 /nfs/dbraw/zinc/24/51/56/187245156.db2.gz AMCUJOWTGMNALJ-UHFFFAOYSA-N -1 0 219.649 2.058 50 0 BEAARM O=C([O-])c1c(O)c(Cl)nc2ccccc21 ZINC000030678624 343193198 /nfs/dbraw/zinc/19/31/98/343193198.db2.gz RPGQCGYSROBDNQ-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM Cn1cc(CCC(=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000031886054 343225802 /nfs/dbraw/zinc/22/58/02/343225802.db2.gz VBHRQBGPQYDHGP-UHFFFAOYSA-N -1 0 248.257 2.243 50 0 BEAARM O=C([O-])c1nnc(-c2ccc(Cl)cc2)o1 ZINC000032014875 343228559 /nfs/dbraw/zinc/22/85/59/343228559.db2.gz ASSVYHKYJOKDQY-UHFFFAOYSA-N -1 0 224.603 2.088 50 0 BEAARM CC(C)Oc1ccccc1Nc1nncc(=O)[n-]1 ZINC000008742408 187249638 /nfs/dbraw/zinc/24/96/38/187249638.db2.gz DQDUQBVYIUVFHP-UHFFFAOYSA-N -1 0 246.270 2.108 50 0 BEAARM Cc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000000332267 343269952 /nfs/dbraw/zinc/26/99/52/343269952.db2.gz SBFITHLDTHXRAT-UHFFFAOYSA-N -1 0 239.218 2.257 50 0 BEAARM Cc1cc2c3n[nH]c(=S)nc3[nH]c2c(C)c1 ZINC000017862548 187251591 /nfs/dbraw/zinc/25/15/91/187251591.db2.gz VZKXOKIJXOPLJD-UHFFFAOYSA-N -1 0 230.296 2.412 50 0 BEAARM CC(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000019257918 187251676 /nfs/dbraw/zinc/25/16/76/187251676.db2.gz OLWFGPQNJWSRSA-ZETCQYMHSA-N -1 0 239.296 2.210 50 0 BEAARM O=C([O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000034957526 343281899 /nfs/dbraw/zinc/28/18/99/343281899.db2.gz WSIKEZXPBAOPOU-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=[S@@]([O-])c1ccc(Br)cc1F ZINC000036533441 343319910 /nfs/dbraw/zinc/31/99/10/343319910.db2.gz DVNLJLMKYPGSIX-UHFFFAOYSA-N -1 0 239.065 2.169 50 0 BEAARM CCN(CC)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000036657661 343321747 /nfs/dbraw/zinc/32/17/47/343321747.db2.gz DGPAUSSMVIDYGO-UHFFFAOYSA-N -1 0 237.255 2.225 50 0 BEAARM CC(C)[C@H](NC(=O)CCC1CCCC1)C(=O)[O-] ZINC000022211947 187254853 /nfs/dbraw/zinc/25/48/53/187254853.db2.gz HVSXCIAKZVKELS-LBPRGKRZSA-N -1 0 241.331 2.182 50 0 BEAARM CC(C)CN(C)c1ccc(C(=O)[O-])cc1 ZINC000037108812 343334290 /nfs/dbraw/zinc/33/42/90/343334290.db2.gz WMDSUECYXYURIM-UHFFFAOYSA-N -1 0 207.273 2.477 50 0 BEAARM Nc1cc(Br)ccc1[S-] ZINC000036378434 343316937 /nfs/dbraw/zinc/31/69/37/343316937.db2.gz WKEYPPZTEITNHZ-UHFFFAOYSA-N -1 0 204.092 2.320 50 0 BEAARM CCOc1c(F)cc(C(=O)[O-])cc1F ZINC000038529870 343375964 /nfs/dbraw/zinc/37/59/64/343375964.db2.gz QCPWRWTXAQDVSY-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM O=C([O-])c1ccc(F)c(-n2cccc2)c1 ZINC000037474016 343346236 /nfs/dbraw/zinc/34/62/36/343346236.db2.gz ZPYBMROHMPJKMR-UHFFFAOYSA-N -1 0 205.188 2.315 50 0 BEAARM Cc1cnc(NC(=O)C(C)(C)C)c(C(=O)[O-])c1 ZINC000039961282 343394204 /nfs/dbraw/zinc/39/42/04/343394204.db2.gz RYMMSGYQBZNNID-UHFFFAOYSA-N -1 0 236.271 2.073 50 0 BEAARM O=C([O-])c1cc(=O)[nH]c(-c2ccccc2)c1 ZINC000040448753 343403969 /nfs/dbraw/zinc/40/39/69/343403969.db2.gz BWWHCHGMKVVIMX-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000040734163 343408341 /nfs/dbraw/zinc/40/83/41/343408341.db2.gz MIEFWJKVKNYRRC-ZETCQYMHSA-N -1 0 221.039 2.111 50 0 BEAARM CCCc1c(C(=O)[O-])cnn1-c1cc(C)ccn1 ZINC000043671248 343480505 /nfs/dbraw/zinc/48/05/05/343480505.db2.gz ZMAAALQLHPBJIY-UHFFFAOYSA-N -1 0 245.282 2.226 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)c1cccc(N(C)C)c1 ZINC000043214229 343465869 /nfs/dbraw/zinc/46/58/69/343465869.db2.gz YEQOPPGGLLRRNR-JTQLQIEISA-N -1 0 249.310 2.436 50 0 BEAARM O=C([O-])c1c(F)ccc(OC(F)F)c1F ZINC000047203225 343558695 /nfs/dbraw/zinc/55/86/95/343558695.db2.gz RCXSQVVWMWIXDL-UHFFFAOYSA-N -1 0 224.109 2.264 50 0 BEAARM Nc1ncc(-c2ccccc2)cc1C(=O)[O-] ZINC000047207263 343559222 /nfs/dbraw/zinc/55/92/22/343559222.db2.gz VYIQVVNTIQFCGW-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM CC(C)(C)n1cnc2ccc(C(=O)[O-])cc21 ZINC000040456653 187264548 /nfs/dbraw/zinc/26/45/48/187264548.db2.gz AGJWGCANKYVLTQ-UHFFFAOYSA-N -1 0 218.256 2.490 50 0 BEAARM CC(=O)C[C@@H](C(=O)[O-])c1c[nH]c2ccccc21 ZINC000000518057 346959107 /nfs/dbraw/zinc/95/91/07/346959107.db2.gz BKIUZZPRRUFEPJ-SNVBAGLBSA-N -1 0 231.251 2.315 50 0 biogenic BEAARM O=C([O-])c1ccc(Cl)nc1OC1CCC1 ZINC000071025890 187275361 /nfs/dbraw/zinc/27/53/61/187275361.db2.gz FZLADSJVOIUUHJ-UHFFFAOYSA-N -1 0 227.647 2.365 50 0 BEAARM CC(C)(C)S(=O)(=O)c1sccc1C(=O)[O-] ZINC000000554154 347004280 /nfs/dbraw/zinc/00/42/80/347004280.db2.gz AYXMMKXDUWYFKA-UHFFFAOYSA-N -1 0 248.325 2.019 50 0 BEAARM C[C@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095970761 187288887 /nfs/dbraw/zinc/28/88/87/187288887.db2.gz LPTMWLGCTBLPHL-CABZTGNLSA-N -1 0 247.294 2.298 50 0 BEAARM CCOc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000004746796 344155868 /nfs/dbraw/zinc/15/58/68/344155868.db2.gz XKFPOICHSTXLIF-HJWRWDBZSA-N -1 0 249.266 2.055 50 0 BEAARM CCSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000015922162 344240291 /nfs/dbraw/zinc/24/02/91/344240291.db2.gz VZROKNCJGHKPAH-UHFFFAOYSA-N -1 0 247.323 2.280 50 0 BEAARM CCCCC[C@@H](C)NC(=O)CCCC(=O)[O-] ZINC000004784106 344237956 /nfs/dbraw/zinc/23/79/56/344237956.db2.gz MOXYXJVRZZUCFY-SNVBAGLBSA-N -1 0 229.320 2.326 50 0 BEAARM O=C([O-])C(=O)c1ccc(F)c2ccccc12 ZINC000069900625 537845332 /nfs/dbraw/zinc/84/53/32/537845332.db2.gz MLTAECGPFCISGB-UHFFFAOYSA-N -1 0 218.183 2.246 50 0 BEAARM CCONC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000072848972 344376521 /nfs/dbraw/zinc/37/65/21/344376521.db2.gz BEJXFOPDSUHOAM-UHFFFAOYSA-N -1 0 246.310 2.477 50 0 BEAARM Cc1ccc2nc(SCC(=O)[O-])nc(C)c2c1 ZINC000000203267 178978330 /nfs/dbraw/zinc/97/83/30/178978330.db2.gz CBLHSUJSNHNHDU-UHFFFAOYSA-N -1 0 248.307 2.423 50 0 BEAARM CC(C)CC[C@@]1(CCC(=O)[O-])CCOC1=O ZINC000000410014 346418610 /nfs/dbraw/zinc/41/86/10/346418610.db2.gz UFRNSYLUSNJLON-GFCCVEGCSA-N -1 0 228.288 2.221 50 0 BEAARM CC(C)(C)c1cc(C=O)cc(C=O)c1[O-] ZINC000005520887 346622882 /nfs/dbraw/zinc/62/28/82/346622882.db2.gz LGWDKUHSQODBHL-UHFFFAOYSA-N -1 0 206.241 2.315 50 0 BEAARM Cc1cccc2c1ccn2CCC(=O)[O-] ZINC000036947639 179225445 /nfs/dbraw/zinc/22/54/45/179225445.db2.gz PASGHKFXXDYQMZ-UHFFFAOYSA-N -1 0 203.241 2.424 50 0 BEAARM O=C([O-])[C@@H]1[C@@H]2C=C3CCc4cccc(c43)[C@H]12 ZINC000019891211 347375412 /nfs/dbraw/zinc/37/54/12/347375412.db2.gz SFWSQHBBVROHCX-KGYLQXTDSA-N -1 0 212.248 2.444 50 0 BEAARM Cc1ccccc1N(CC(=O)[O-])C(C)C ZINC000107148634 179295400 /nfs/dbraw/zinc/29/54/00/179295400.db2.gz ULSUVOFUAUBJPC-UHFFFAOYSA-N -1 0 207.273 2.294 50 0 BEAARM Cc1ccn(-c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000052884572 179399634 /nfs/dbraw/zinc/39/96/34/179399634.db2.gz OMQLIKDZZKPMRN-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000037380683 348390854 /nfs/dbraw/zinc/39/08/54/348390854.db2.gz HRUXUHQNXUDJEP-VXGBXAGGSA-N -1 0 228.251 2.060 50 0 BEAARM S=c1[n-]nc([C@H]2OCCc3ccccc32)o1 ZINC000005731599 349102801 /nfs/dbraw/zinc/10/28/01/349102801.db2.gz ARERWAQLCTWPNK-VIFPVBQESA-N -1 0 234.280 2.020 50 0 BEAARM Cc1nc(SCC(=O)[O-])nc2ccccc12 ZINC000003078712 180031359 /nfs/dbraw/zinc/03/13/59/180031359.db2.gz RTLSTBTWHHGAMQ-UHFFFAOYSA-N -1 0 234.280 2.115 50 0 BEAARM Cc1nc([C@@H]2CCCO2)sc1C(=O)[O-] ZINC000083347420 180045897 /nfs/dbraw/zinc/04/58/97/180045897.db2.gz QMUSLNJQXVIBGC-LURJTMIESA-N -1 0 213.258 2.001 50 0 BEAARM Cc1nc2ccccc2nc1SCC(=O)[O-] ZINC000000155569 180105768 /nfs/dbraw/zinc/10/57/68/180105768.db2.gz MMULDMVRBPVEHY-UHFFFAOYSA-N -1 0 234.280 2.115 50 0 BEAARM Cc1ccc(Br)c([S@](=O)[O-])c1 ZINC000034489233 350172015 /nfs/dbraw/zinc/17/20/15/350172015.db2.gz SIYJMFXZVXBYGF-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM O=Cc1cccnc1-c1ccc(C(=O)[O-])s1 ZINC000725261200 538085903 /nfs/dbraw/zinc/08/59/03/538085903.db2.gz UFWIGEZBBRFSDD-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM O=Cc1ccnc(-c2ccc(C(=O)[O-])s2)c1 ZINC000725261178 538085933 /nfs/dbraw/zinc/08/59/33/538085933.db2.gz SWAVCIJNUBDWHW-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM CC1(C)C[C@@H]1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000232800618 350667785 /nfs/dbraw/zinc/66/77/85/350667785.db2.gz XOCKDDNZDQSKGA-LLVKDONJSA-N -1 0 247.294 2.150 50 0 BEAARM Cc1oc(-c2ccccc2F)nc1C(=O)[O-] ZINC000039200909 180527894 /nfs/dbraw/zinc/52/78/94/180527894.db2.gz ZNRMZNOYTOYDBR-UHFFFAOYSA-N -1 0 221.187 2.487 50 0 BEAARM CO[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000001736886 351274604 /nfs/dbraw/zinc/27/46/04/351274604.db2.gz MBAJSMKLHBYGHS-MRVPVSSYSA-N -1 0 200.621 2.112 50 0 BEAARM Cc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000000100898 187582589 /nfs/dbraw/zinc/58/25/89/187582589.db2.gz QQEJGGHVHJKUSE-JTQLQIEISA-N -1 0 235.283 2.434 50 0 BEAARM O=C([O-])[C@H]1CCC[C@@H]1C(=O)c1ccccc1 ZINC000034265399 363148691 /nfs/dbraw/zinc/14/86/91/363148691.db2.gz SPRHBCOBGFZPAI-QWRGUYRKSA-N -1 0 218.252 2.370 50 0 BEAARM CC(C)N(CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000005066699 187928979 /nfs/dbraw/zinc/92/89/79/187928979.db2.gz KKIAMBQPKZBCIZ-UHFFFAOYSA-N -1 0 231.292 2.107 50 0 BEAARM O=C([O-])c1ccc(Cl)nc1OC(F)(F)F ZINC000095929117 187974891 /nfs/dbraw/zinc/97/48/91/187974891.db2.gz OMGPEKLXZHLEDL-UHFFFAOYSA-N -1 0 241.552 2.332 50 0 BEAARM O=C([O-])/C=C/C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000102114 188272686 /nfs/dbraw/zinc/27/26/86/188272686.db2.gz GGEYZZMFXUDNSC-ONEGZZNKSA-N -1 0 243.621 2.058 50 0 BEAARM CCOc1ccc(SCC(=O)[O-])cc1 ZINC000003356969 188275471 /nfs/dbraw/zinc/27/54/71/188275471.db2.gz UEWLGUBBIVUMRG-UHFFFAOYSA-N -1 0 212.270 2.262 50 0 BEAARM COc1ccc(Br)c(C)c1C(=O)[O-] ZINC000003848133 188275615 /nfs/dbraw/zinc/27/56/15/188275615.db2.gz PZXLGCIJEFUSLH-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM O=C([O-])c1ccc(Br)nc1Cl ZINC000035270471 188285369 /nfs/dbraw/zinc/28/53/69/188285369.db2.gz CSHIGVLXOXJJMY-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1ncccc1-n1ncc2ccccc21 ZINC000132045056 188331628 /nfs/dbraw/zinc/33/16/28/188331628.db2.gz PLWRRSAFOULORB-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM N#CNN=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000003133230 188335756 /nfs/dbraw/zinc/33/57/56/188335756.db2.gz YBCRWYLLNHLCJE-UHFFFAOYSA-N -1 0 236.584 2.151 50 0 BEAARM CC(C)CO[C@H]1C(=O)CCC[C@H]1CCC(=O)[O-] ZINC000004181825 353393921 /nfs/dbraw/zinc/39/39/21/353393921.db2.gz IGZDTIAVSQHVMM-GXFFZTMASA-N -1 0 242.315 2.262 50 0 BEAARM Fc1ccccc1OCc1n[n-]c(=S)o1 ZINC000006566493 181015147 /nfs/dbraw/zinc/01/51/47/181015147.db2.gz GUBJWMWRDXXNGV-UHFFFAOYSA-N -1 0 226.232 2.076 50 0 BEAARM Cc1ccc(N[C@@H]2SC(=O)[N-]C2=O)c(C)c1 ZINC000001191656 356020174 /nfs/dbraw/zinc/02/01/74/356020174.db2.gz LQZFABJMPRNPCJ-SNVBAGLBSA-N -1 0 236.296 2.024 50 0 BEAARM CC(=O)c1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000675069652 538498952 /nfs/dbraw/zinc/49/89/52/538498952.db2.gz KABJCCHGGSSDRT-UHFFFAOYSA-N -1 0 242.234 2.044 50 0 BEAARM O=C([O-])c1cnc(CCC(F)(F)F)s1 ZINC000086979256 538562828 /nfs/dbraw/zinc/56/28/28/538562828.db2.gz FFZNRJDLCKITNX-UHFFFAOYSA-N -1 0 225.191 2.336 50 0 BEAARM CC(C)(C)Cn1c(=O)[nH]c2c1cccc2C(=O)[O-] ZINC000157663260 538834856 /nfs/dbraw/zinc/83/48/56/538834856.db2.gz ISILCDNEUIGHIN-UHFFFAOYSA-N -1 0 248.282 2.074 50 0 BEAARM O=C([O-])c1c[nH]cc1Cc1ccccc1 ZINC000137443103 538875930 /nfs/dbraw/zinc/87/59/30/538875930.db2.gz HKMHYTCQZFILDE-UHFFFAOYSA-N -1 0 201.225 2.304 50 0 BEAARM Nc1ncc(C(=O)[O-])cc1-c1ccccc1 ZINC000047207261 358585291 /nfs/dbraw/zinc/58/52/91/358585291.db2.gz DPGNSCQEQVBQOA-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM Cc1ccc(NC(=O)/C(Cl)=C/C(=O)[O-])cc1 ZINC000003129989 359643602 /nfs/dbraw/zinc/64/36/02/359643602.db2.gz MZJBSTLPYYINNL-TWGQIWQCSA-N -1 0 239.658 2.141 50 0 BEAARM O=C([O-])Cc1ccc(Cl)nc1C(F)(F)F ZINC000238691365 361180256 /nfs/dbraw/zinc/18/02/56/361180256.db2.gz HOZARIJJIPOBSI-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM C[C@H](CC(=O)[O-])NC(=O)CCC1CCCCC1 ZINC000037416766 364018470 /nfs/dbraw/zinc/01/84/70/364018470.db2.gz IWEPDAAAEGXPNG-SNVBAGLBSA-N -1 0 241.331 2.326 50 0 BEAARM CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000022113942 368372447 /nfs/dbraw/zinc/37/24/47/368372447.db2.gz NFRPKIATGQQKHI-DTWKUNHWSA-N -1 0 228.288 2.219 50 0 BEAARM CC(C)(C)[S@@](=O)Nc1ccc(C(=O)[O-])cc1 ZINC000200968077 368354185 /nfs/dbraw/zinc/35/41/85/368354185.db2.gz PYTKGKMSFLCBBO-MRXNPFEDSA-N -1 0 241.312 2.259 50 0 BEAARM CC(C)(C)n1[n-]c(C(F)(F)F)cc1=O ZINC000106385560 369109860 /nfs/dbraw/zinc/10/98/60/369109860.db2.gz HZOHCHXKIGXDGP-UHFFFAOYSA-N -1 0 208.183 2.363 50 0 BEAARM Nc1ccc(-c2ccc(F)cc2)c(C(=O)[O-])n1 ZINC000047206525 181693445 /nfs/dbraw/zinc/69/34/45/181693445.db2.gz BCVPMQIIZIZSRG-UHFFFAOYSA-N -1 0 232.214 2.168 50 0 BEAARM Nc1nc(-c2ccccc2)c(C(=O)[O-])s1 ZINC000002567202 181777476 /nfs/dbraw/zinc/77/74/76/181777476.db2.gz VNKAOZFTIGAIPR-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM O=C(C=C([O-])c1cccs1)C(F)F ZINC000100497162 181880151 /nfs/dbraw/zinc/88/01/51/181880151.db2.gz BYASAUCNBVCUOY-UHFFFAOYSA-N -1 0 204.197 2.155 50 0 BEAARM O=C([O-])C1CCC(NC(=O)c2ccccc2)CC1 ZINC000000313293 182102082 /nfs/dbraw/zinc/10/20/82/182102082.db2.gz PFTKGHOYESQATJ-UHFFFAOYSA-N -1 0 247.294 2.060 50 0 BEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1 ZINC000000276477 182376912 /nfs/dbraw/zinc/37/69/12/182376912.db2.gz XKSLIJHVJSMXPT-NWDGAFQWSA-N -1 0 245.278 2.292 50 0 BEAARM O=C([O-])C1(c2cccnc2)CCCCC1 ZINC000034061621 182425601 /nfs/dbraw/zinc/42/56/01/182425601.db2.gz XIRMOGUBQMRKQG-UHFFFAOYSA-N -1 0 205.257 2.368 50 0 BEAARM O=C([O-])CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000004784775 182433234 /nfs/dbraw/zinc/43/32/34/182433234.db2.gz CATUHMNQIVXVDU-LBPRGKRZSA-N -1 0 247.294 2.045 50 0 BEAARM O=C([O-])CCC(=O)c1cc(F)c(F)c(F)c1 ZINC000002378687 182434080 /nfs/dbraw/zinc/43/40/80/182434080.db2.gz KPDWQVIJKURPCD-UHFFFAOYSA-N -1 0 232.157 2.151 50 0 BEAARM O=C([O-])CCc1cn2cc(Cl)sc2n1 ZINC000040457357 182455007 /nfs/dbraw/zinc/45/50/07/182455007.db2.gz WWWQYGQNWMJQJL-UHFFFAOYSA-N -1 0 230.676 2.066 50 0 BEAARM O=C([O-])CSc1nc2ccccc2o1 ZINC000000050892 182473225 /nfs/dbraw/zinc/47/32/25/182473225.db2.gz MZIJIHZQKNAQBF-UHFFFAOYSA-N -1 0 209.226 2.005 50 0 BEAARM O=C([O-])Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000004749639 182491848 /nfs/dbraw/zinc/49/18/48/182491848.db2.gz HRXBMEQOFCNZHD-UHFFFAOYSA-N -1 0 245.234 2.159 50 0 BEAARM O=C([O-])[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000049822696 182540782 /nfs/dbraw/zinc/54/07/82/182540782.db2.gz FAWQZNACUZJAJY-ZETCQYMHSA-N -1 0 233.242 2.497 50 0 BEAARM O=C([O-])c1cc(=O)c2cccc(Cl)c2o1 ZINC000095775413 182552641 /nfs/dbraw/zinc/55/26/41/182552641.db2.gz ISZWNLKXEBIAIJ-UHFFFAOYSA-N -1 0 224.599 2.145 50 0 BEAARM O=C([O-])c1ccccc1OC(F)(F)F ZINC000000167135 182582326 /nfs/dbraw/zinc/58/23/26/182582326.db2.gz JMYSPFGUBNENSE-UHFFFAOYSA-N -1 0 206.119 2.283 50 0 BEAARM O=C([O-])c1cccn1Cc1ccccc1F ZINC000000259713 182583738 /nfs/dbraw/zinc/58/37/38/182583738.db2.gz UDNVGFDEHXDBNX-UHFFFAOYSA-N -1 0 219.215 2.374 50 0 BEAARM O=C([O-])c1cn2c3ccccc3sc2n1 ZINC000000154219 182588777 /nfs/dbraw/zinc/58/87/77/182588777.db2.gz RPTIDKXUZBSTRL-UHFFFAOYSA-N -1 0 218.237 2.247 50 0 BEAARM O=Cc1sc(C(=O)[O-])cc1Br ZINC000113917047 182877605 /nfs/dbraw/zinc/87/76/05/182877605.db2.gz UREDOEQKTBTCRT-UHFFFAOYSA-N -1 0 235.058 2.021 50 0 BEAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(F)cc1 ZINC000009937397 182993146 /nfs/dbraw/zinc/99/31/46/182993146.db2.gz URURQPXMFOPSIM-UHFFFAOYSA-N -1 0 246.163 2.324 50 0 BEAARM CCCC[C@H](CC)CNC(=O)CCC(=O)[O-] ZINC000002084721 168998072 /nfs/dbraw/zinc/99/80/72/168998072.db2.gz MYPCYAJYIBCWHR-JTQLQIEISA-N -1 0 229.320 2.184 50 0 biogenic BEAARM O=c1c2cc[nH]c2[n-]cc1C(F)(F)F ZINC000077011247 183253125 /nfs/dbraw/zinc/25/31/25/183253125.db2.gz DGTFVDQQYXOMOX-UHFFFAOYSA-N -1 0 202.135 2.287 50 0 BEAARM [O-]c1ccc(Br)nc1Cl ZINC000035270482 183268240 /nfs/dbraw/zinc/26/82/40/183268240.db2.gz RMZDAJISDIUUMM-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM CCCN(CC1CC1)c1cccc(C(=O)[O-])n1 ZINC000003299690 169138744 /nfs/dbraw/zinc/13/87/44/169138744.db2.gz DYBIFLHLDWENLS-UHFFFAOYSA-N -1 0 234.299 2.406 50 0 BEAARM CCCOc1ccc(CCC(=O)[O-])cc1N ZINC000057882903 169317586 /nfs/dbraw/zinc/31/75/86/169317586.db2.gz SHDJDZQVTWDCPB-UHFFFAOYSA-N -1 0 223.272 2.075 50 0 BEAARM CCC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002389479 169346130 /nfs/dbraw/zinc/34/61/30/169346130.db2.gz BSMXBPUTGXWAGA-QMMMGPOBSA-N -1 0 231.292 2.107 50 0 BEAARM C[C@]1(C(=O)[O-])OCc2ccccc2-n2cccc21 ZINC000000097921 383827571 /nfs/dbraw/zinc/82/75/71/383827571.db2.gz JWGZFUYHMUSJDY-AWEZNQCLSA-N -1 0 243.262 2.307 50 0 BEAARM O=C([O-])/C=C/c1ccc2c(c1)OC(F)(F)O2 ZINC000000154237 383836976 /nfs/dbraw/zinc/83/69/76/383836976.db2.gz KODLBMVQFGJDOK-DUXPYHPUSA-N -1 0 228.150 2.106 50 0 BEAARM Cc1nc(-c2ccccn2)sc1C(=O)[O-] ZINC000000168268 383838519 /nfs/dbraw/zinc/83/85/19/383838519.db2.gz QFDHWPOPCNNAOI-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 in-vitro BEAARM O=C([O-])CCCC(=O)Nc1ccc(F)cc1 ZINC000000240351 383845384 /nfs/dbraw/zinc/84/53/84/383845384.db2.gz BBDJNGOBAANARV-UHFFFAOYSA-N -1 0 225.219 2.019 50 0 BEAARM Cc1cc(C(=O)[O-])ccc1Br ZINC000000403510 383863780 /nfs/dbraw/zinc/86/37/80/383863780.db2.gz KWVXDZLVCISXIB-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 in-vitro BEAARM CC1(C)C2CCC1(CS(=O)(=O)[O-])CC2 ZINC000001708497 383928131 /nfs/dbraw/zinc/92/81/31/383928131.db2.gz BXOCIAVBIDXORM-UHFFFAOYSA-N -1 0 218.318 2.091 50 0 BEAARM O=C(Nc1nncs1)c1c(F)cccc1F ZINC000001056515 383888184 /nfs/dbraw/zinc/88/81/84/383888184.db2.gz CAGATEFKGPHRGW-UHFFFAOYSA-N -1 0 241.222 2.069 50 0 BEAARM CC(C)C[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000002576515 383977912 /nfs/dbraw/zinc/97/79/12/383977912.db2.gz FBKXGYIYIKDCSB-LBPRGKRZSA-N -1 0 247.294 2.142 50 0 biogenic BEAARM O=C([O-])CCCCOc1ccc(F)cc1 ZINC000002576970 383978552 /nfs/dbraw/zinc/97/85/52/383978552.db2.gz SNUHBWJBUYDESY-UHFFFAOYSA-N -1 0 212.220 2.459 50 0 BEAARM O=C([O-])/C=C/c1cc(F)cc(F)c1F ZINC000002575070 383978887 /nfs/dbraw/zinc/97/88/87/383978887.db2.gz FHDPERUKPYYNEO-OWOJBTEDSA-N -1 0 202.131 2.202 50 0 BEAARM O=C([O-])c1noc(-c2ccccc2Cl)n1 ZINC000068577024 383999733 /nfs/dbraw/zinc/99/97/33/383999733.db2.gz OGSZRKMKBNNYTI-UHFFFAOYSA-N -1 0 224.603 2.088 50 0 BEAARM COC(=O)c1ccc2cc(C(=O)[O-])ccc2c1 ZINC000002025675 383947511 /nfs/dbraw/zinc/94/75/11/383947511.db2.gz SKTKMAWOMQFTNS-UHFFFAOYSA-N -1 0 230.219 2.325 50 0 biogenic BEAARM O=C([O-])COc1ccc(C(F)(F)F)cc1 ZINC000002243319 383956308 /nfs/dbraw/zinc/95/63/08/383956308.db2.gz NTBSLTKYEVAWEE-UHFFFAOYSA-N -1 0 220.146 2.169 50 0 BEAARM O=C([O-])CCCC(=O)c1cc(F)ccc1F ZINC000002378723 383960183 /nfs/dbraw/zinc/96/01/83/383960183.db2.gz HSCTUQMLJQEKQE-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002391034 383961441 /nfs/dbraw/zinc/96/14/41/383961441.db2.gz YXJFAOXATCRIKU-VIFPVBQESA-N -1 0 245.319 2.353 50 0 BEAARM O=C([O-])CCc1ccc(F)c(Cl)c1 ZINC000002528438 383971255 /nfs/dbraw/zinc/97/12/55/383971255.db2.gz XJSXYOSRQKEOSZ-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM O=C([O-])Cc1ccc(F)c(Br)c1 ZINC000002525298 383971900 /nfs/dbraw/zinc/97/19/00/383971900.db2.gz XXFGIJYSXNXNAU-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM O=C([O-])/C=C/c1ccccc1OC(F)F ZINC000002549433 383973686 /nfs/dbraw/zinc/97/36/86/383973686.db2.gz KLWSPVZYBMMDBR-AATRIKPKSA-N -1 0 214.167 2.386 50 0 BEAARM O=C([O-])C(=O)c1cc(Cl)sc1Cl ZINC000037379701 383974583 /nfs/dbraw/zinc/97/45/83/383974583.db2.gz NYEQOASPWDUDFX-UHFFFAOYSA-N -1 0 225.052 2.322 50 0 BEAARM O=C([O-])Cc1cc(F)ccc1C(F)(F)F ZINC000002560198 383976762 /nfs/dbraw/zinc/97/67/62/383976762.db2.gz GWWZRGDMAFXULO-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM O=C([O-])Cc1csc(-c2ccsc2)n1 ZINC000004218187 384048236 /nfs/dbraw/zinc/04/82/36/384048236.db2.gz SRJPLNCSOGDLEC-UHFFFAOYSA-N -1 0 225.294 2.499 50 0 BEAARM O=C([O-])Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000004218938 384048538 /nfs/dbraw/zinc/04/85/38/384048538.db2.gz CJINJZBZXGTZQD-UHFFFAOYSA-N -1 0 242.658 2.128 50 0 BEAARM O=C([O-])c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000090623781 384066017 /nfs/dbraw/zinc/06/60/17/384066017.db2.gz GAUPADLIIGDUTC-UHFFFAOYSA-N -1 0 245.234 2.070 50 0 BEAARM O=C([O-])c1cn2c(cccc2C(F)(F)F)n1 ZINC000091297596 384115309 /nfs/dbraw/zinc/11/53/09/384115309.db2.gz CXMISGPOTMRORO-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM COC(=O)c1c([O-])c2ccccc2[nH]c1=S ZINC000006817208 384169499 /nfs/dbraw/zinc/16/94/99/384169499.db2.gz AAJUDRCQRXQXDQ-UHFFFAOYSA-N -1 0 235.264 2.390 50 0 BEAARM CC[C@@H](C)n1ncc(C(=O)[O-])c1C1CC1 ZINC000040930728 384170474 /nfs/dbraw/zinc/17/04/74/384170474.db2.gz AQLPNAWLKPYKSU-SSDOTTSWSA-N -1 0 208.261 2.430 50 0 BEAARM C[C@@H](CO)Cc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000071773502 384177457 /nfs/dbraw/zinc/17/74/57/384177457.db2.gz HFAIHLSDLUYLQA-ZJUUUORDSA-N -1 0 222.284 2.046 50 0 world BEAARM COc1cc(C(=O)[O-])nc2ccc(F)cc21 ZINC000071775327 384178168 /nfs/dbraw/zinc/17/81/68/384178168.db2.gz PQKANOYXHMMLCC-UHFFFAOYSA-N -1 0 221.187 2.081 50 0 BEAARM CCc1cccc2c(CC(=O)[O-])c[nH]c21 ZINC000011920384 384300918 /nfs/dbraw/zinc/30/09/18/384300918.db2.gz KVQHDBXIAODINU-UHFFFAOYSA-N -1 0 203.241 2.357 50 0 BEAARM CCCCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000012848080 384339077 /nfs/dbraw/zinc/33/90/77/384339077.db2.gz VTCPXARHBAEQGR-UHFFFAOYSA-N -1 0 236.271 2.306 50 0 BEAARM O=C([O-])C1(c2ccc(F)cc2F)CCOCC1 ZINC000075932546 384348279 /nfs/dbraw/zinc/34/82/79/384348279.db2.gz VIYHNGKWSFKLEO-UHFFFAOYSA-N -1 0 242.221 2.098 50 0 BEAARM O=C([O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000095347502 384367819 /nfs/dbraw/zinc/36/78/19/384367819.db2.gz JYPYCJJRDTYMQO-NSHDSACASA-N -1 0 206.241 2.279 50 0 BEAARM O=c1nc(C(F)(F)F)[n-]c2ccsc21 ZINC000095830851 384402585 /nfs/dbraw/zinc/40/25/85/384402585.db2.gz HQOYCMNAXBKANH-UHFFFAOYSA-N -1 0 220.175 2.003 50 0 BEAARM CC(C)n1nccc1-c1ncccc1C(=O)[O-] ZINC000095495990 384379599 /nfs/dbraw/zinc/37/95/99/384379599.db2.gz SYOCYGSKZOJDLD-UHFFFAOYSA-N -1 0 231.255 2.224 50 0 BEAARM CC(=O)Nc1cccc(CC[C@@H](C)C(=O)[O-])c1 ZINC000096316065 384451991 /nfs/dbraw/zinc/45/19/91/384451991.db2.gz SYKFBANLPZHTKH-SECBINFHSA-N -1 0 235.283 2.298 50 0 BEAARM Cn1ccc2c1cc(F)c(C(=O)[O-])c2F ZINC000114222773 384457218 /nfs/dbraw/zinc/45/72/18/384457218.db2.gz OUFNNKHIQRIZGJ-UHFFFAOYSA-N -1 0 211.167 2.155 50 0 BEAARM Cn1nc(C(F)(F)F)c(C(=O)[O-])c1C(F)F ZINC000078870105 384469646 /nfs/dbraw/zinc/46/96/46/384469646.db2.gz HJJGDSOAEGXMJW-UHFFFAOYSA-N -1 0 244.119 2.075 50 0 BEAARM O=C([O-])CCc1csc(-c2cccnc2)n1 ZINC000017169581 384481910 /nfs/dbraw/zinc/48/19/10/384481910.db2.gz LLWRHLUJSKGUDP-UHFFFAOYSA-N -1 0 234.280 2.222 50 0 BEAARM O=C([O-])CCSc1ccc2c(c1)OCCO2 ZINC000019094063 384510970 /nfs/dbraw/zinc/51/09/70/384510970.db2.gz LMJJCUHBJIXUHM-UHFFFAOYSA-N -1 0 240.280 2.025 50 0 BEAARM CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020256522 384607035 /nfs/dbraw/zinc/60/70/35/384607035.db2.gz HXHWWLZVCKDTIW-UHFFFAOYSA-N -1 0 236.271 2.306 50 0 BEAARM CC1(C)CC(=O)C(C(=O)c2ccccc2)=C([O-])C1 ZINC000100096614 384617232 /nfs/dbraw/zinc/61/72/32/384617232.db2.gz AHLHHZCMZTZXII-UHFFFAOYSA-N -1 0 244.290 2.444 50 0 BEAARM O=C1Nc2ccccc2C1=C([O-])c1ccco1 ZINC000101172951 384666800 /nfs/dbraw/zinc/66/68/00/384666800.db2.gz MVZPGVKQORMMNZ-NSHDSACASA-N -1 0 227.219 2.198 50 0 BEAARM CCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000101414447 384672346 /nfs/dbraw/zinc/67/23/46/384672346.db2.gz CMJOFHCZJPZCMV-LLVKDONJSA-N -1 0 246.314 2.232 50 0 BEAARM O=C(C=C([O-])c1ccc(F)cc1)C(F)F ZINC000100478883 384642663 /nfs/dbraw/zinc/64/26/63/384642663.db2.gz QRGKDXJGWCBIFV-UHFFFAOYSA-N -1 0 216.158 2.233 50 0 BEAARM O=C([O-])[C@@H]1CCC[C@H]1Nc1ccccc1 ZINC000083985836 384824219 /nfs/dbraw/zinc/82/42/19/384824219.db2.gz CQPIDJWURGPHPG-GHMZBOCLSA-N -1 0 205.257 2.352 50 0 BEAARM CC(C)(C(=O)[O-])c1cccc(C(F)(F)F)n1 ZINC000082343694 384825106 /nfs/dbraw/zinc/82/51/06/384825106.db2.gz IILJQCOTHQCJNS-UHFFFAOYSA-N -1 0 233.189 2.463 50 0 BEAARM O=C([O-])Cc1c[nH]c2cc(F)c(F)cc12 ZINC000026894241 384884571 /nfs/dbraw/zinc/88/45/71/384884571.db2.gz VZWMUWNMZOYMFC-UHFFFAOYSA-N -1 0 211.167 2.073 50 0 BEAARM O=C([O-])C[C@H](c1ccc(O)cc1)C1CC1 ZINC000084383320 384863513 /nfs/dbraw/zinc/86/35/13/384863513.db2.gz OWXNQQUWPGXPMS-NSHDSACASA-N -1 0 206.241 2.361 50 0 BEAARM C[C@@H](Cn1ccc2ccccc21)C(=O)[O-] ZINC000057531604 384953210 /nfs/dbraw/zinc/95/32/10/384953210.db2.gz VZRQCALDRRWTLU-VIFPVBQESA-N -1 0 203.241 2.362 50 0 BEAARM CC(C)(C)/C=C/C(=O)NC1(C(=O)[O-])CCCC1 ZINC000095969640 384919273 /nfs/dbraw/zinc/91/92/73/384919273.db2.gz SFLLUVMQCFSBEX-RMKNXTFCSA-N -1 0 239.315 2.102 50 0 BEAARM O=C([O-])c1c(Cl)ccnc1Br ZINC000086029532 384981578 /nfs/dbraw/zinc/98/15/78/384981578.db2.gz FICKTDRPOOIPDP-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC[C@H]1[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000086860101 385053825 /nfs/dbraw/zinc/05/38/25/385053825.db2.gz DCNSLQDWJVZTBS-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM CC(C)(C)/C=C/C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136477126 385110500 /nfs/dbraw/zinc/11/05/00/385110500.db2.gz WBABEPNQENIECB-QROSGCPLSA-N -1 0 239.315 2.054 50 0 BEAARM O=C([O-])[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062720157 385183760 /nfs/dbraw/zinc/18/37/60/385183760.db2.gz DYBOZKSUIBJLJN-NTSWFWBYSA-N -1 0 216.158 2.292 50 0 BEAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000062868171 385194285 /nfs/dbraw/zinc/19/42/85/385194285.db2.gz PFWPNYSMOFPUPV-CQSZACIVSA-N -1 0 247.294 2.014 50 0 BEAARM CC(C)(C(=O)[O-])c1ccc(F)cc1F ZINC000055237960 385642805 /nfs/dbraw/zinc/64/28/05/385642805.db2.gz OWPQMQYTPNHEOH-UHFFFAOYSA-N -1 0 200.184 2.327 50 0 BEAARM C[C@@](O)(C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000075866801 385759652 /nfs/dbraw/zinc/75/96/52/385759652.db2.gz BMGHAVURJDEUPE-LBPRGKRZSA-N -1 0 249.291 2.102 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)c(F)c(Cl)c1 ZINC000258329178 385775650 /nfs/dbraw/zinc/77/56/50/385775650.db2.gz VMXNXXKOFJHNDU-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(F)cc(Cl)c1Cl ZINC000263623615 386156846 /nfs/dbraw/zinc/15/68/46/386156846.db2.gz IZWKVCJESLXARW-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](O)c1ccc(Cl)c(F)c1Cl ZINC000263624564 386159047 /nfs/dbraw/zinc/15/90/47/386159047.db2.gz RPOUYWJFZYEAFV-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1c(Cl)ccc([C@H](O)C(=O)[O-])c1Cl ZINC000263624443 386160160 /nfs/dbraw/zinc/16/01/60/386160160.db2.gz QNQCXCDQLUSXQJ-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1nc(-c2ccc(Cl)cc2)cn([O-])c1=O ZINC000001400345 386223850 /nfs/dbraw/zinc/22/38/50/386223850.db2.gz CPTBTZRYUQXQKL-UHFFFAOYSA-N -1 0 236.658 2.109 50 0 BEAARM Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000001452381 386992982 /nfs/dbraw/zinc/99/29/82/386992982.db2.gz MUPAOMLUTMORSO-LBPRGKRZSA-N -1 0 249.310 2.224 50 0 BEAARM O=C([O-])c1cncc(Br)c1Cl ZINC000071864187 387123379 /nfs/dbraw/zinc/12/33/79/387123379.db2.gz AEYIMKNQTWXCNI-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1cc(-c2ccncc2)cnc1Cl ZINC000047217046 387276065 /nfs/dbraw/zinc/27/60/65/387276065.db2.gz KRFJEBFJNBHTRX-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1ccc(NC(=O)C2CCC2)cc1C(=O)[O-] ZINC000104329140 387478106 /nfs/dbraw/zinc/47/81/06/387478106.db2.gz OPCBOWAZJXKJPJ-UHFFFAOYSA-N -1 0 233.267 2.432 50 0 BEAARM C[C@H](NC(=O)C(=O)[O-])c1cccc2ccccc21 ZINC000169526879 387600914 /nfs/dbraw/zinc/60/09/14/387600914.db2.gz NHUPKPZCZNIUBG-VIFPVBQESA-N -1 0 243.262 2.102 50 0 BEAARM CCO[N-]C(=O)CSCc1cccc(C)c1 ZINC000040489436 387785416 /nfs/dbraw/zinc/78/54/16/387785416.db2.gz MKVQTERBZSMYTH-UHFFFAOYSA-N -1 0 239.340 2.296 50 0 BEAARM Cc1cc(C)c(OCC(=O)[O-])c(Cl)c1 ZINC000000157380 177867879 /nfs/dbraw/zinc/86/78/79/177867879.db2.gz CUGLOZFKNNULKW-UHFFFAOYSA-N -1 0 214.648 2.420 50 0 BEAARM COc1ncccc1-c1ccc(C(=O)[O-])o1 ZINC000067756632 388407245 /nfs/dbraw/zinc/40/72/45/388407245.db2.gz HRHICLZLZFOPLM-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM O=C([O-])CCC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC000067894450 388408391 /nfs/dbraw/zinc/40/83/91/388408391.db2.gz ZYUVPSCYRNXISF-UHFFFAOYSA-N -1 0 244.250 2.124 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000134903491 388593621 /nfs/dbraw/zinc/59/36/21/388593621.db2.gz RELMMCLJMQTQFA-UFBFGSQYSA-N -1 0 243.303 2.155 50 0 BEAARM O=C([O-])Cc1ccc(C(F)(F)F)nc1Cl ZINC000091297120 388611838 /nfs/dbraw/zinc/61/18/38/388611838.db2.gz UUQAJNPRYAFEAG-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM O=C([O-])C1=Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000034279447 388696955 /nfs/dbraw/zinc/69/69/55/388696955.db2.gz QSLSQLYQCKEGMS-VIFPVBQESA-N -1 0 244.168 2.478 50 0 BEAARM O=C([O-])[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000521399597 388704559 /nfs/dbraw/zinc/70/45/59/388704559.db2.gz JZLKUPNAUQTSJI-FXBDTBDDSA-N -1 0 208.644 2.310 50 0 BEAARM O=C([O-])[C@H]1CCc2sc(-n3cccc3)nc21 ZINC000096096203 388806761 /nfs/dbraw/zinc/80/67/61/388806761.db2.gz FLLIWODKBVPAGB-ZETCQYMHSA-N -1 0 234.280 2.048 50 0 BEAARM Cc1ccc(NC(=O)c2ccc[nH]2)cc1C(=O)[O-] ZINC000095389601 388765747 /nfs/dbraw/zinc/76/57/47/388765747.db2.gz IHXXQKMEGBPWSR-UHFFFAOYSA-N -1 0 244.250 2.274 50 0 BEAARM CC[C@](C)(NC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000095424538 388768910 /nfs/dbraw/zinc/76/89/10/388768910.db2.gz GZSVDMANDQEQNY-LBPRGKRZSA-N -1 0 229.320 2.182 50 0 BEAARM C[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000019273472 132324388 /nfs/dbraw/zinc/32/43/88/132324388.db2.gz IHIONGWXONRMDR-SNVBAGLBSA-N -1 0 247.294 2.219 50 0 BEAARM O=C([O-])c1cccc(-c2cc[nH]c(=O)c2)c1 ZINC000065339132 398083085 /nfs/dbraw/zinc/08/30/85/398083085.db2.gz QRVGYRMSHGHBBH-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])/C=C/c1ccc2c(c1)CCCO2 ZINC000049591288 398051697 /nfs/dbraw/zinc/05/16/97/398051697.db2.gz XSYCEFCLOFFMHS-GQCTYLIASA-N -1 0 204.225 2.109 50 0 BEAARM CCOc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000070007072 398122268 /nfs/dbraw/zinc/12/22/68/398122268.db2.gz ZIGBMQXNFLUVET-UHFFFAOYSA-N -1 0 238.268 2.097 50 0 BEAARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008549576 409623194 /nfs/dbraw/zinc/62/31/94/409623194.db2.gz TUZNSVHPQINMJX-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[O-])CC1 ZINC000016697123 409660745 /nfs/dbraw/zinc/66/07/45/409660745.db2.gz RZQHJTNUKFLYEA-SECBINFHSA-N -1 0 243.303 2.108 50 0 BEAARM C/C(=C/C(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000002789049 166231801 /nfs/dbraw/zinc/23/18/01/166231801.db2.gz DCIWZCMRDPUCFK-SREVYHEPSA-N -1 0 239.658 2.309 50 0 BEAARM CC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000019407780 166531776 /nfs/dbraw/zinc/53/17/76/166531776.db2.gz BFCDDEYQCCNMGV-UHFFFAOYSA-N -1 0 235.283 2.047 50 0 BEAARM CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1C(=O)[O-] ZINC000032098950 166668183 /nfs/dbraw/zinc/66/81/83/166668183.db2.gz GKDUYHIMOWUHAF-PRHODGIISA-N -1 0 243.303 2.155 50 0 BEAARM CC(C)[C@](O)(CC(=O)[O-])c1ccc(F)cc1 ZINC000032015151 167539001 /nfs/dbraw/zinc/53/90/01/167539001.db2.gz RXAUWKKLCQIFCU-GFCCVEGCSA-N -1 0 226.247 2.144 50 0 BEAARM CCO[N-]C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000049346457 411231324 /nfs/dbraw/zinc/23/13/24/411231324.db2.gz RZWARJJZDJLAAD-CHWSQXEVSA-N -1 0 249.310 2.222 50 0 BEAARM CCO[N-]C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000049346461 411231716 /nfs/dbraw/zinc/23/17/16/411231716.db2.gz RZWARJJZDJLAAD-QWHCGFSZSA-N -1 0 249.310 2.222 50 0 BEAARM CC/C=C\C[C@@H]1[C@H](O)CC[C@H]1CC(=O)[O-] ZINC000071756650 167862004 /nfs/dbraw/zinc/86/20/04/167862004.db2.gz LYSGIJUGUGJIPS-CSBCPUHWSA-N -1 0 212.289 2.205 50 0 BEAARM CCC(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000016623588 168212597 /nfs/dbraw/zinc/21/25/97/168212597.db2.gz OVABPVHXACPPPK-UHFFFAOYSA-N -1 0 221.256 2.148 50 0 BEAARM CCC(=O)c1c(C)c2ccc([O-])cc2oc1=O ZINC000026476316 168253582 /nfs/dbraw/zinc/25/35/82/168253582.db2.gz ANMSJFNXLUPIRR-UHFFFAOYSA-N -1 0 232.235 2.400 50 0 BEAARM CCC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000096839045 168304657 /nfs/dbraw/zinc/30/46/57/168304657.db2.gz WZKPSAWKRJWANR-MRVPVSSYSA-N -1 0 245.319 2.401 50 0 BEAARM CCOC(=O)C=C([O-])c1cccc(C)c1 ZINC000002575914 170197310 /nfs/dbraw/zinc/19/73/10/170197310.db2.gz LLFKVNDSLHMEQC-UHFFFAOYSA-N -1 0 206.241 2.131 50 0 BEAARM CCOC(=O)C=C([O-])c1cccc(Cl)c1 ZINC000002575910 170197378 /nfs/dbraw/zinc/19/73/78/170197378.db2.gz WWFYJJHEBDWEJF-UHFFFAOYSA-N -1 0 226.659 2.476 50 0 BEAARM CCOC(=O)C=C([O-])c1c[nH]c2ccccc21 ZINC000000192306 170197448 /nfs/dbraw/zinc/19/74/48/170197448.db2.gz OWQVISRKOOQTHQ-UHFFFAOYSA-N -1 0 231.251 2.304 50 0 biogenic BEAARM CCOC(=O)c1c[n-]c2c(F)ccc(C)c2c1=O ZINC000008773256 170290245 /nfs/dbraw/zinc/29/02/45/170290245.db2.gz WXTJXMZDOOCUSN-UHFFFAOYSA-N -1 0 249.241 2.152 50 0 BEAARM CCOC(=O)c1cc(=O)c2ccc(F)cc2[n-]1 ZINC000071405472 170292816 /nfs/dbraw/zinc/29/28/16/170292816.db2.gz WVWQRDIDITZSKK-UHFFFAOYSA-N -1 0 235.214 2.256 50 0 BEAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OC ZINC000000479876 170517993 /nfs/dbraw/zinc/51/79/93/170517993.db2.gz WBAXVERGIUQKDL-UHFFFAOYSA-N -1 0 230.647 2.446 50 0 BEAARM CC[C@@H](Cc1cccc(OC)c1)C(=O)[O-] ZINC000011976774 170855340 /nfs/dbraw/zinc/85/53/40/170855340.db2.gz FZDIEJDNANEDQM-JTQLQIEISA-N -1 0 208.257 2.349 50 0 BEAARM CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000060007092 171004503 /nfs/dbraw/zinc/00/45/03/171004503.db2.gz XLDQNKSCLODJJQ-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)CC1CCCC1 ZINC000037870840 171310956 /nfs/dbraw/zinc/31/09/56/171310956.db2.gz VEAGQAUAYRGLQJ-JTQLQIEISA-N -1 0 241.331 2.278 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(C)c(C)c1 ZINC000011759436 171740025 /nfs/dbraw/zinc/74/00/25/171740025.db2.gz MTDHWWUYHQGUPL-UHFFFAOYSA-N -1 0 245.282 2.145 50 0 BEAARM CCc1cccc(C)c1Nc1nc(=O)c(C)n[n-]1 ZINC000008744512 171854376 /nfs/dbraw/zinc/85/43/76/171854376.db2.gz PNOSHZPNMKTTCE-UHFFFAOYSA-N -1 0 244.298 2.088 50 0 BEAARM CCc1nc2ccccc2n1C[C@H](C)C(=O)[O-] ZINC000000316315 172013300 /nfs/dbraw/zinc/01/33/00/172013300.db2.gz CVVGRNCBKTYVCX-VIFPVBQESA-N -1 0 232.283 2.319 50 0 BEAARM CCc1sc(-n2cccc2)nc1C(=O)[O-] ZINC000097673681 172127983 /nfs/dbraw/zinc/12/79/83/172127983.db2.gz FMPJZDRJRIYWKP-UHFFFAOYSA-N -1 0 222.269 2.194 50 0 BEAARM CCn1c2ccccc2c([O-])c(C)c1=O ZINC000100294422 172132305 /nfs/dbraw/zinc/13/23/05/172132305.db2.gz DCVIBDXQMCPOOR-UHFFFAOYSA-N -1 0 203.241 2.035 50 0 BEAARM CCn1c(=O)c2sccc2[n-]c1=S ZINC000004091683 172133194 /nfs/dbraw/zinc/13/31/94/172133194.db2.gz QQPGLIIOMJKXPS-UHFFFAOYSA-N -1 0 212.299 2.140 50 0 BEAARM CCn1ccc2sc(C)c(C(=O)[O-])c2c1=O ZINC000169676722 172201593 /nfs/dbraw/zinc/20/15/93/172201593.db2.gz QWMAXPSLSOVUPO-UHFFFAOYSA-N -1 0 237.280 2.090 50 0 BEAARM CCn1nc(C(=O)[O-])cc1-c1ccccc1 ZINC000039935094 172240996 /nfs/dbraw/zinc/24/09/96/172240996.db2.gz LABWYLGWRYXTKX-UHFFFAOYSA-N -1 0 216.240 2.268 50 0 BEAARM CCn1nc(-c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000009280240 172241034 /nfs/dbraw/zinc/24/10/34/172241034.db2.gz IPVGLXYYKOKGEY-UHFFFAOYSA-N -1 0 246.266 2.277 50 0 BEAARM CN(C(=O)C(C)(C)C)c1cccc(CC(=O)[O-])c1 ZINC000020227201 172295440 /nfs/dbraw/zinc/29/54/40/172295440.db2.gz GYMOZUHMWNLFIK-UHFFFAOYSA-N -1 0 249.310 2.323 50 0 BEAARM CN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000042417640 172382904 /nfs/dbraw/zinc/38/29/04/172382904.db2.gz RXKVDCNQFKONLD-UHFFFAOYSA-N -1 0 242.662 2.132 50 0 BEAARM COCCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC000061848552 174367781 /nfs/dbraw/zinc/36/77/81/174367781.db2.gz GURLZSNSNPEKIL-UHFFFAOYSA-N -1 0 230.647 2.063 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])no2)cc1F ZINC000009340116 175030630 /nfs/dbraw/zinc/03/06/30/175030630.db2.gz CXCYDRWKAXDSED-UHFFFAOYSA-N -1 0 237.186 2.188 50 0 BEAARM COc1ccc(-c2n[nH]c(C)c2CC(=O)[O-])cc1 ZINC000019737439 175037532 /nfs/dbraw/zinc/03/75/32/175037532.db2.gz FCBUEYMQURKJKR-UHFFFAOYSA-N -1 0 246.266 2.021 50 0 BEAARM COc1ccc(-c2ncsc2CC(=O)[O-])cc1 ZINC000020439179 175041738 /nfs/dbraw/zinc/04/17/38/175041738.db2.gz DQBVXXJMVNDWIT-UHFFFAOYSA-N -1 0 249.291 2.446 50 0 BEAARM COc1ccc(C(C)(C)C(=O)[O-])cc1OC ZINC000031773341 175067223 /nfs/dbraw/zinc/06/72/23/175067223.db2.gz FUSMQKBNNJVGSB-UHFFFAOYSA-N -1 0 224.256 2.066 50 0 BEAARM COc1ccc2c(c1)CCC(C(C)=O)=C2[O-] ZINC000000133015 175209992 /nfs/dbraw/zinc/20/99/92/175209992.db2.gz OMYIBACGBPVSCE-NSHDSACASA-N -1 0 218.252 2.029 50 0 BEAARM COc1ccc2c(c1)[C@@]1(C)CCC(=C2[O-])C1=O ZINC000071775026 175215303 /nfs/dbraw/zinc/21/53/03/175215303.db2.gz XIGDPSJUSUDMTG-IINYFYTJSA-N -1 0 230.263 2.128 50 0 BEAARM COc1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000005880407 175224610 /nfs/dbraw/zinc/22/46/10/175224610.db2.gz FOIKGWJGRNNGQP-UHFFFAOYSA-N -1 0 238.264 2.095 50 0 BEAARM COc1cccc(-c2ccnc(C(=O)[O-])c2)c1 ZINC000065347339 175235337 /nfs/dbraw/zinc/23/53/37/175235337.db2.gz WYAMUUQZZQEKJB-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(-c2nc(CC(=O)[O-])c(C)o2)c1 ZINC000049632727 175235899 /nfs/dbraw/zinc/23/58/99/175235899.db2.gz ZHBPIRBPAYGTEI-UHFFFAOYSA-N -1 0 247.250 2.286 50 0 BEAARM COc1cccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000002574422 175247280 /nfs/dbraw/zinc/24/72/80/175247280.db2.gz LXXNRXBNXLZTQY-MNOVXSKESA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc2sc(C(=O)[O-])nc21 ZINC000045238157 175308447 /nfs/dbraw/zinc/30/84/47/175308447.db2.gz NWMAUPHPBMBEEY-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM COc1nc2ccc(C(=O)[O-])cc2s1 ZINC000045237926 175397026 /nfs/dbraw/zinc/39/70/26/175397026.db2.gz WICVRQPTGYHIHD-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM C[C@H](C[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000000345922 175765324 /nfs/dbraw/zinc/76/53/24/175765324.db2.gz XPYGARPDBLWJQB-ZJUUUORDSA-N -1 0 235.283 2.372 50 0 BEAARM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000002526134 176004042 /nfs/dbraw/zinc/00/40/42/176004042.db2.gz DWFWGWPUJSFRQO-RXMQYKEDSA-N -1 0 218.611 2.331 50 0 BEAARM C[C@@H](SC(=S)N1CCCCCC1)C(=O)[O-] ZINC000004832263 176006906 /nfs/dbraw/zinc/00/69/06/176006906.db2.gz IYNFJAREUQGZPT-MRVPVSSYSA-N -1 0 247.385 2.354 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)c1ccc(N(C)C)cc1 ZINC000043214232 176601604 /nfs/dbraw/zinc/60/16/04/176601604.db2.gz UVNQRRQNYLYJGE-JTQLQIEISA-N -1 0 249.310 2.436 50 0 BEAARM C[C@H](SCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000003393999 177025785 /nfs/dbraw/zinc/02/57/85/177025785.db2.gz SKZXSCCVUYPMDS-ZETCQYMHSA-N -1 0 236.296 2.442 50 0 BEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000095642970 177182035 /nfs/dbraw/zinc/18/20/35/177182035.db2.gz TZCMQIKRCZLVQN-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@H](C(=O)[O-])N1C[C@H](C)c2ccccc21 ZINC000299738362 177275424 /nfs/dbraw/zinc/27/54/24/177275424.db2.gz AENTXCWRAKZIFA-DTWKUNHWSA-N -1 0 205.257 2.083 50 0 BEAARM C[C@H]1Cc2cc(/C=C/C(=O)[O-])ccc2O1 ZINC000009237859 177387674 /nfs/dbraw/zinc/38/76/74/177387674.db2.gz LEVLLAUMDRPDCY-WGAJWPLOSA-N -1 0 204.225 2.108 50 0 BEAARM Cc1[nH]c2c(cccc2F)c1CC(=O)[O-] ZINC000002582686 177509148 /nfs/dbraw/zinc/50/91/48/177509148.db2.gz PSLVJYXNRARBKF-UHFFFAOYSA-N -1 0 207.204 2.243 50 0 BEAARM CCCCC(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643903 487926512 /nfs/dbraw/zinc/92/65/12/487926512.db2.gz COALHSRQSVNHHZ-UHFFFAOYSA-N -1 0 229.320 2.182 50 0 BEAARM O=C([O-])c1cc2ccc(-c3cncnc3)cc2[nH]1 ZINC000534635079 323156907 /nfs/dbraw/zinc/15/69/07/323156907.db2.gz GMQGRQDJLGTVAI-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM O=C([O-])c1cc(-n2ccnc2)nc2ccccc21 ZINC000037336551 324567362 /nfs/dbraw/zinc/56/73/62/324567362.db2.gz YYICDNRBOMBFMR-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM C/C=C(/C)C(=O)N[C@@H](CCCCC)C(=O)[O-] ZINC000108462137 490141373 /nfs/dbraw/zinc/14/13/73/490141373.db2.gz AVPKRTJGAIGVDG-BSKOKIOFSA-N -1 0 227.304 2.102 50 0 BEAARM CCOc1ccccc1C([O-])=CC(C)=O ZINC000101835738 582458145 /nfs/dbraw/zinc/45/81/45/582458145.db2.gz MCOSNBBXMARGIU-UHFFFAOYSA-N -1 0 206.241 2.247 50 0 BEAARM C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)[O-])[C@H]1C ZINC000239165023 524394576 /nfs/dbraw/zinc/39/45/76/524394576.db2.gz NIRDHFACMWVWAA-VWYCJHECSA-N -1 0 241.331 2.182 50 0 BEAARM CCC(=O)C=C([O-])c1ccc(OC)cc1 ZINC000020375365 583130391 /nfs/dbraw/zinc/13/03/91/583130391.db2.gz KLVOEDVKCPIDSW-UHFFFAOYSA-N -1 0 206.241 2.247 50 0 BEAARM O=C([O-])C1=Cc2ccc(Cl)cc2OC1 ZINC000116374149 588978646 /nfs/dbraw/zinc/97/86/46/588978646.db2.gz CDXVFVDHMXXSFA-UHFFFAOYSA-N -1 0 210.616 2.200 50 0 BEAARM Cn1cc(-c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000236099866 711489228 /nfs/dbraw/zinc/48/92/28/711489228.db2.gz VWZAWIVHSMATGU-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM N#Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000114870376 1168367445 /nfs/dbraw/zinc/36/74/45/1168367445.db2.gz LPTVJUYLMCVVAO-UHFFFAOYSA-N -1 0 231.129 2.155 50 0 BEAARM O=C([O-])c1ccc(-c2ccc3[nH]ccc3c2)nn1 ZINC000534635308 712086904 /nfs/dbraw/zinc/08/69/04/712086904.db2.gz UBYQIFXSNJSVRB-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM Cc1nn(Cc2cccc(F)c2)c(C)c1[O-] ZINC000083893193 1166129396 /nfs/dbraw/zinc/12/93/96/1166129396.db2.gz HGTVZLSDQMBWQF-UHFFFAOYSA-N -1 0 220.247 2.393 50 0 BEAARM O=[P@@]([O-])(O)Cc1ccc(C(F)(F)F)cc1 ZINC000034746102 1166984971 /nfs/dbraw/zinc/98/49/71/1166984971.db2.gz RWGZUFYCFWXQBL-UHFFFAOYSA-N -1 0 240.117 2.383 50 0 BEAARM C[C@H](Nc1cnc(C(=O)[O-])cn1)C1=CCCCC1 ZINC001506401935 988770958 /nfs/dbraw/zinc/77/09/58/988770958.db2.gz OUEUYAFKFJENKV-VIFPVBQESA-N -1 0 247.298 2.476 50 0 BEAARM CCC(C)(C)c1ccc([C@@H](O)C(=O)[O-])cc1 ZINC000005307532 990530855 /nfs/dbraw/zinc/53/08/55/990530855.db2.gz USIISGAPNYJZOX-LLVKDONJSA-N -1 0 222.284 2.492 50 0 BEAARM Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2F)n1 ZINC000020080228 177919782 /nfs/dbraw/zinc/91/97/82/177919782.db2.gz BWDANXPJRCVMOB-UHFFFAOYSA-N -1 0 234.230 2.326 50 0 BEAARM Cc1cc(Cl)c(Cl)c([C@H](O)C(=O)[O-])c1 ZINC000263624611 178060602 /nfs/dbraw/zinc/06/06/02/178060602.db2.gz RXPXAAMFVJELBG-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM CCC(CC)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000001403966 168343066 /nfs/dbraw/zinc/34/30/66/168343066.db2.gz SQWIEDXCRHOSJR-UHFFFAOYSA-N -1 0 209.245 2.332 50 0 BEAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])C(C)(C)S2)o1 ZINC000074938372 398210586 /nfs/dbraw/zinc/21/05/86/398210586.db2.gz DUQOVLSZOJPRQR-RKDXNWHRSA-N -1 0 241.312 2.155 50 0 BEAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)ncn1 ZINC000011849384 178192310 /nfs/dbraw/zinc/19/23/10/178192310.db2.gz QUSLNXFHKQCSHO-UHFFFAOYSA-N -1 0 229.239 2.227 50 0 BEAARM Cc1cc(Nc2ccccc2C(=O)[O-])n(C)n1 ZINC000000396676 178193458 /nfs/dbraw/zinc/19/34/58/178193458.db2.gz YCWUYQQRIHWNLH-UHFFFAOYSA-N -1 0 231.255 2.170 50 0 BEAARM Cc1cc(OC(F)F)c(C(=O)[O-])s1 ZINC000068591636 178208700 /nfs/dbraw/zinc/20/87/00/178208700.db2.gz WKQQJRYYMBSRSM-UHFFFAOYSA-N -1 0 208.185 2.356 50 0 BEAARM O=C([O-])c1c2c(nn1-c1ccccc1)CCCC2 ZINC000012480575 259304681 /nfs/dbraw/zinc/30/46/81/259304681.db2.gz KRSOPTZGQKYDMW-UHFFFAOYSA-N -1 0 242.278 2.449 50 0 BEAARM Cc1ccc(-c2nc(C(=O)[O-])cs2)n1C ZINC000084191295 178333396 /nfs/dbraw/zinc/33/33/96/178333396.db2.gz OMVBWGOVOFYKNC-UHFFFAOYSA-N -1 0 222.269 2.155 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000002532528 178350177 /nfs/dbraw/zinc/35/01/77/178350177.db2.gz YLLKMSOYYAPTFG-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1ccc(-c2n[nH]cc2C(=O)[O-])cc1 ZINC000009189789 178331521 /nfs/dbraw/zinc/33/15/21/178331521.db2.gz PKGDMHCUUNZVGS-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM Cc1ccc([N-]c2nnns2)c(C)c1 ZINC000000171873 342679129 /nfs/dbraw/zinc/67/91/29/342679129.db2.gz TWSJVASQYSQZOP-UHFFFAOYSA-N -1 0 206.274 2.294 50 0 BEAARM O=C([O-])[C@H]1CCC(=O)C[C@H]1Cc1ccccc1 ZINC000000267951 342681752 /nfs/dbraw/zinc/68/17/52/342681752.db2.gz LCVCSJWXLZGDMI-YPMHNXCESA-N -1 0 232.279 2.299 50 0 BEAARM Cn1nc(-c2ccccc2Cl)cc1C(=O)[O-] ZINC000000324105 342683281 /nfs/dbraw/zinc/68/32/81/342683281.db2.gz VEYJAUIZTGGPIP-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM CC(=O)Nc1c2cc(C)ccc2[nH]c1C(=O)[O-] ZINC000000326016 342683386 /nfs/dbraw/zinc/68/33/86/342683386.db2.gz SLTGVGIKYCMSKR-UHFFFAOYSA-N -1 0 232.239 2.133 50 0 BEAARM O=C([O-])c1ccccc1C(=O)N1CCCCC1 ZINC000000028115 342669944 /nfs/dbraw/zinc/66/99/44/342669944.db2.gz BIUIFJPSZVWHIX-UHFFFAOYSA-N -1 0 233.267 2.011 50 0 BEAARM O=C([O-])[C@H]1CC(=O)CC[C@H]1Cc1ccccc1 ZINC000000053538 342671601 /nfs/dbraw/zinc/67/16/01/342671601.db2.gz RPYASTUWLRHTAX-AAEUAGOBSA-N -1 0 232.279 2.299 50 0 BEAARM COc1c(C)cc(Br)cc1C(=O)[O-] ZINC000000571820 342690398 /nfs/dbraw/zinc/69/03/98/342690398.db2.gz BYGJVQRRBRCFSQ-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM Cc1nn(Cc2ccccc2)c(C)c1CC(=O)[O-] ZINC000000795457 342692608 /nfs/dbraw/zinc/69/26/08/342692608.db2.gz BYCNUIJLVUTOPG-UHFFFAOYSA-N -1 0 244.294 2.175 50 0 BEAARM CC(C)c1nc2ccccc2n1CC(=O)[O-] ZINC000000781082 342692626 /nfs/dbraw/zinc/69/26/26/342692626.db2.gz VROCWDFNBDMZGW-UHFFFAOYSA-N -1 0 218.256 2.244 50 0 BEAARM CC(C)(C)OC(=O)Nc1nc(C(=O)[O-])cs1 ZINC000001420756 342700258 /nfs/dbraw/zinc/70/02/58/342700258.db2.gz PIWSRJPUYPNQJE-UHFFFAOYSA-N -1 0 244.272 2.188 50 0 BEAARM Cc1cccc(C(=O)CCCC(=O)[O-])c1 ZINC000002378641 342719239 /nfs/dbraw/zinc/71/92/39/342719239.db2.gz GSOIUFKUQPXOKP-UHFFFAOYSA-N -1 0 206.241 2.433 50 0 BEAARM CCCCCc1ccc(C(=O)[O-])c(=O)o1 ZINC000002099919 342715744 /nfs/dbraw/zinc/71/57/44/342715744.db2.gz NYCDSJNKGZMFSX-UHFFFAOYSA-N -1 0 210.229 2.071 50 0 biogenic BEAARM CO[C@@](C(=O)[O-])(c1ccccc1)C(F)(F)F ZINC000002169956 342716495 /nfs/dbraw/zinc/71/64/95/342716495.db2.gz JJYKJUXBWFATTE-SECBINFHSA-N -1 0 234.173 2.175 50 0 BEAARM O=C([O-])c1ccc(OCc2cscn2)cc1 ZINC000004218230 342744516 /nfs/dbraw/zinc/74/45/16/342744516.db2.gz NJQRRSFGXSZIJE-UHFFFAOYSA-N -1 0 235.264 2.420 50 0 BEAARM O=C([O-])c1ccccc1OCc1cscn1 ZINC000004218229 342744519 /nfs/dbraw/zinc/74/45/19/342744519.db2.gz MYZZEPDHQMACJH-UHFFFAOYSA-N -1 0 235.264 2.420 50 0 BEAARM Cc1c2cc(C)ccc2n(C)c1C(=O)[O-] ZINC000004231700 342744971 /nfs/dbraw/zinc/74/49/71/342744971.db2.gz ORZQQOIVPVKEIS-UHFFFAOYSA-N -1 0 203.241 2.493 50 0 BEAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000004287585 342745924 /nfs/dbraw/zinc/74/59/24/342745924.db2.gz URBHKVWOYIMKNO-UHFFFAOYSA-N -1 0 243.303 2.299 50 0 BEAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(Cl)c2)N1 ZINC000004294478 342746218 /nfs/dbraw/zinc/74/62/18/342746218.db2.gz ZIAXCRNTOFXJPM-IUCAKERBSA-N -1 0 243.715 2.128 50 0 BEAARM CCCc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004482931 342748383 /nfs/dbraw/zinc/74/83/83/342748383.db2.gz GLRHIWBWLCLOKE-HJWRWDBZSA-N -1 0 233.267 2.218 50 0 BEAARM O=C([O-])c1cnoc1-c1ccc(F)cc1 ZINC000002541940 342723625 /nfs/dbraw/zinc/72/36/25/342723625.db2.gz FFZWHPBPXYQOSJ-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM Cc1cc(Br)cc(C(=O)[O-])c1N ZINC000002548694 342723764 /nfs/dbraw/zinc/72/37/64/342723764.db2.gz RWLPKYJTGUCBQH-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM O=C([O-])c1cc(Br)cc2c1OCC2 ZINC000002556807 342724028 /nfs/dbraw/zinc/72/40/28/342724028.db2.gz LEBMKAXASFPSFA-UHFFFAOYSA-N -1 0 243.056 2.082 50 0 BEAARM O=C([O-])c1ccsc1Br ZINC000002563935 342724190 /nfs/dbraw/zinc/72/41/90/342724190.db2.gz RVSXMPCELBYUSF-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 BEAARM [O-]c1c(F)cc(Br)cc1F ZINC000002560118 342724339 /nfs/dbraw/zinc/72/43/39/342724339.db2.gz GPRPSJPFAAGLCA-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM Cc1ccc(Cl)c(CC(=O)[O-])c1F ZINC000002574986 342725187 /nfs/dbraw/zinc/72/51/87/342725187.db2.gz WVPCYTGXJQYSCV-UHFFFAOYSA-N -1 0 202.612 2.415 50 0 BEAARM CC(C)(C)OC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000002578586 342725614 /nfs/dbraw/zinc/72/56/14/342725614.db2.gz MXNLYMBJAAYZRW-UHFFFAOYSA-N -1 0 243.303 2.299 50 0 BEAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)[O-] ZINC000002582690 342725855 /nfs/dbraw/zinc/72/58/55/342725855.db2.gz VJZAMNBVIWOUJR-UHFFFAOYSA-N -1 0 207.204 2.243 50 0 BEAARM CC(=O)c1ccc(SCC(=O)[O-])c(F)c1 ZINC000002654587 342726591 /nfs/dbraw/zinc/72/65/91/342726591.db2.gz RUPLKAYIPMBIKZ-UHFFFAOYSA-N -1 0 228.244 2.205 50 0 BEAARM CC(C)(C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000003121470 342730657 /nfs/dbraw/zinc/73/06/57/342730657.db2.gz GYLNCOSRTDXBBE-LLVKDONJSA-N -1 0 249.310 2.365 50 0 BEAARM CC(C)(C)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000003278544 342732142 /nfs/dbraw/zinc/73/21/42/342732142.db2.gz HJOIFNWQEBIKGT-UHFFFAOYSA-N -1 0 249.310 2.189 50 0 BEAARM O=C([O-])c1cn2cc(Cl)cc(Cl)c2n1 ZINC000003742145 342737447 /nfs/dbraw/zinc/73/74/47/342737447.db2.gz OKRIIMVNXKTCPK-UHFFFAOYSA-N -1 0 231.038 2.339 50 0 BEAARM COc1cc(C)c(Cl)cc1CC(=O)[O-] ZINC000003750744 342737490 /nfs/dbraw/zinc/73/74/90/342737490.db2.gz BRVGBLQVSPVSPO-UHFFFAOYSA-N -1 0 214.648 2.284 50 0 BEAARM O=C([O-])c1c[nH]c(=S)n1-c1ccccc1 ZINC000003888733 342739106 /nfs/dbraw/zinc/73/91/06/342739106.db2.gz YXIZTCTXXDBABW-UHFFFAOYSA-N -1 0 220.253 2.233 50 0 BEAARM CCCCCC[C@H]1[NH2+][C@@H](C(=O)[O-])CS1 ZINC000005712109 342768713 /nfs/dbraw/zinc/76/87/13/342768713.db2.gz HKDGCSSFNOHHPI-BDAKNGLRSA-N -1 0 217.334 2.073 50 0 BEAARM CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000006494083 342778645 /nfs/dbraw/zinc/77/86/45/342778645.db2.gz SUXLFEALYPIVJT-SSDOTTSWSA-N -1 0 222.288 2.259 50 0 BEAARM CCOc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000006848481 342784912 /nfs/dbraw/zinc/78/49/12/342784912.db2.gz AEWKKBWNUCOEAA-UHFFFAOYSA-N -1 0 232.239 2.174 50 0 BEAARM COc1c(Cl)cc(O)c(Cl)c1C(=O)[O-] ZINC000002530761 342789552 /nfs/dbraw/zinc/78/95/52/342789552.db2.gz XYHBJALHMANCCC-UHFFFAOYSA-N -1 0 237.038 2.406 50 0 BEAARM CC[C@@H](C(=O)[O-])n1nc(C)c(Cl)c1C ZINC000002731870 342792502 /nfs/dbraw/zinc/79/25/02/342792502.db2.gz VNDONJWLQOJHSX-ZETCQYMHSA-N -1 0 216.668 2.189 50 0 BEAARM Cc1noc2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000008264127 342797444 /nfs/dbraw/zinc/79/74/44/342797444.db2.gz RILQHLKPPRZHAO-UHFFFAOYSA-N -1 0 220.228 2.353 50 0 BEAARM O=C([O-])[C@H](Cc1cccnc1)c1ccccc1 ZINC000011570615 342841592 /nfs/dbraw/zinc/84/15/92/342841592.db2.gz WXBSTYAXJVFMOC-CYBMUJFWSA-N -1 0 227.263 2.493 50 0 BEAARM Cc1c([O-])c2cc(Cl)ccc2oc1=O ZINC000012505623 342852937 /nfs/dbraw/zinc/85/29/37/342852937.db2.gz MXIUFZMCZDNDJG-UHFFFAOYSA-N -1 0 210.616 2.460 50 0 BEAARM Cc1n[nH]c(-c2ccccc2)c1C(=O)[O-] ZINC000012955847 342861879 /nfs/dbraw/zinc/86/18/79/342861879.db2.gz HLBNXQFYFKZFOB-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM O=C([O-])c1cc(=O)[nH]c(-c2cccs2)c1 ZINC000015442717 342896424 /nfs/dbraw/zinc/89/64/24/342896424.db2.gz ORFATQHUKCOAOV-UHFFFAOYSA-N -1 0 221.237 2.214 50 0 BEAARM O=C([O-])c1ccc2[nH]nc(Br)c2c1 ZINC000014983421 342890100 /nfs/dbraw/zinc/89/01/00/342890100.db2.gz RWQMEUDBXGKAER-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cc(Cl)ncc1Br ZINC000014982225 342890205 /nfs/dbraw/zinc/89/02/05/342890205.db2.gz YRPRNBZLQPBYDS-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000016697117 342914271 /nfs/dbraw/zinc/91/42/71/342914271.db2.gz LNQIKLOOSITZGB-GFCCVEGCSA-N -1 0 243.303 2.108 50 0 BEAARM O=C([O-])c1cn2cc(C(F)(F)F)ccc2n1 ZINC000016698756 342914371 /nfs/dbraw/zinc/91/43/71/342914371.db2.gz KASXDWUVBQTSFN-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000016873035 342916371 /nfs/dbraw/zinc/91/63/71/342916371.db2.gz SZFVVORRSYZEMM-SECBINFHSA-N -1 0 231.654 2.166 50 0 biogenic BEAARM Nc1ccc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000016948007 342917884 /nfs/dbraw/zinc/91/78/84/342917884.db2.gz RWSYZOSQBJSZNW-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM O=C1CCCCCC1=C([O-])C(F)(F)F ZINC000100133209 398344318 /nfs/dbraw/zinc/34/43/18/398344318.db2.gz WMDLGLZRZCXLSM-LURJTMIESA-N -1 0 208.179 2.267 50 0 BEAARM O=C([O-])c1cc(F)cc(F)c1Br ZINC000021982531 343031645 /nfs/dbraw/zinc/03/16/45/343031645.db2.gz KBOFTBQUYXDFEF-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])c1c(Br)ccc(F)c1F ZINC000021985401 343031995 /nfs/dbraw/zinc/03/19/95/343031995.db2.gz LAIYHMCGMOJBDW-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1-c1cnn(C)c1 ZINC000130321677 343075579 /nfs/dbraw/zinc/07/55/79/343075579.db2.gz RAJDOYNJUBBQSB-UHFFFAOYSA-N -1 0 216.240 2.094 50 0 BEAARM Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)[O-] ZINC000124098145 343075587 /nfs/dbraw/zinc/07/55/87/343075587.db2.gz NRKNWCQLLWUWGR-ZCFIWIBFSA-N -1 0 249.188 2.418 50 0 BEAARM Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)[O-] ZINC000124097967 343075669 /nfs/dbraw/zinc/07/56/69/343075669.db2.gz NRKNWCQLLWUWGR-LURJTMIESA-N -1 0 249.188 2.418 50 0 BEAARM CCCc1nc2ccccc2n1CCC(=O)[O-] ZINC000028188408 343127699 /nfs/dbraw/zinc/12/76/99/343127699.db2.gz YQIURBKXDWBCCH-UHFFFAOYSA-N -1 0 232.283 2.464 50 0 BEAARM O=C([O-])c1ccc([C@@H](O)C2CCC2)cc1 ZINC000145484429 343183399 /nfs/dbraw/zinc/18/33/99/343183399.db2.gz INAKYAPAUZVAFE-NSHDSACASA-N -1 0 206.241 2.218 50 0 BEAARM CC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000186344 187244513 /nfs/dbraw/zinc/24/45/13/187244513.db2.gz CDSCQUCBPNCYSM-UHFFFAOYSA-N -1 0 249.266 2.083 50 0 BEAARM Cc1cccc(C)c1NC(=O)CCC(=O)[O-] ZINC000000188424 187244172 /nfs/dbraw/zinc/24/41/72/187244172.db2.gz ANORGLROOXVGGO-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM O=C(NC(=O)C1CCCCC1)c1ccccc1O ZINC000000157003 187244206 /nfs/dbraw/zinc/24/42/06/187244206.db2.gz UKLZHMGBGBIUNC-UHFFFAOYSA-N -1 0 247.294 2.229 50 0 BEAARM CC(C)[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000064822 187244312 /nfs/dbraw/zinc/24/43/12/187244312.db2.gz LHNBRZQJEHYCGL-NSHDSACASA-N -1 0 245.282 2.151 50 0 biogenic,in-vitro BEAARM Cc1nn(Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000003683275 187246025 /nfs/dbraw/zinc/24/60/25/187246025.db2.gz QBQWUFSHKRRJPB-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM O=C([O-])c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000034006467 343263667 /nfs/dbraw/zinc/26/36/67/343263667.db2.gz GYFWKVTWSJTRBO-UHFFFAOYSA-N -1 0 249.247 2.237 50 0 BEAARM O=C([O-])c1cn(C2CC2)c2cc(F)ccc2c1=O ZINC000033994698 343263765 /nfs/dbraw/zinc/26/37/65/343263765.db2.gz SZESLTPCOVTJOL-UHFFFAOYSA-N -1 0 247.225 2.174 50 0 BEAARM CCOC(=O)C1=C([O-])c2cc(OC)ccc2CC1 ZINC000034522701 343274336 /nfs/dbraw/zinc/27/43/36/343274336.db2.gz UQLYGZXJQPCYHT-LLVKDONJSA-N -1 0 248.278 2.003 50 0 BEAARM CCc1c(C)nn(Cc2ccc(C(=O)[O-])o2)c1C ZINC000034925293 343280394 /nfs/dbraw/zinc/28/03/94/343280394.db2.gz FHUYGHOLQLWVFS-UHFFFAOYSA-N -1 0 248.282 2.402 50 0 BEAARM CC(C)c1nc(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000036879337 343326232 /nfs/dbraw/zinc/32/62/32/343326232.db2.gz AWEGZPJXQJJULL-UHFFFAOYSA-N -1 0 249.245 2.228 50 0 BEAARM O=C([O-])c1cc(OCc2ccccc2)ccn1 ZINC000036896260 343326698 /nfs/dbraw/zinc/32/66/98/343326698.db2.gz MKVBGJYWNVWGHX-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1noc2cc(Br)ccc21 ZINC000036075381 343308340 /nfs/dbraw/zinc/30/83/40/343308340.db2.gz MTNXSWYFNMWKQE-UHFFFAOYSA-N -1 0 242.028 2.289 50 0 BEAARM CCN(c1ccc(C(=O)[O-])cn1)C(C)C ZINC000037082619 343333151 /nfs/dbraw/zinc/33/31/51/343333151.db2.gz MBEFNPJYEQETAP-UHFFFAOYSA-N -1 0 208.261 2.015 50 0 BEAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000039276363 343387639 /nfs/dbraw/zinc/38/76/39/343387639.db2.gz LURNCVQHNOOYJK-AAEUAGOBSA-N -1 0 247.294 2.069 50 0 BEAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000039276358 343387718 /nfs/dbraw/zinc/38/77/18/343387718.db2.gz LURNCVQHNOOYJK-DGCLKSJQSA-N -1 0 247.294 2.069 50 0 BEAARM O=C([O-])c1cc(O)cc(OCC(F)(F)F)c1 ZINC000039947482 343393815 /nfs/dbraw/zinc/39/38/15/343393815.db2.gz CNCAOTMTYQULPP-UHFFFAOYSA-N -1 0 236.145 2.032 50 0 BEAARM Cc1nc(Nc2ccccn2)sc1C(=O)[O-] ZINC000040545623 343406611 /nfs/dbraw/zinc/40/66/11/343406611.db2.gz QPCMHXYMIJBDOL-UHFFFAOYSA-N -1 0 235.268 2.288 50 0 BEAARM Cc1c(C)c(C(=O)[O-])[nH]c1Br ZINC000040546715 343406801 /nfs/dbraw/zinc/40/68/01/343406801.db2.gz BLFWPIMFOLXRAS-UHFFFAOYSA-N -1 0 218.050 2.092 50 0 BEAARM O=C([O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000040991525 343411917 /nfs/dbraw/zinc/41/19/17/343411917.db2.gz BDHACESTUPCZAC-GFCCVEGCSA-N -1 0 236.267 2.008 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1ccccc1F ZINC000041233707 343417382 /nfs/dbraw/zinc/41/73/82/343417382.db2.gz MSMVOVXQAXRBRP-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM CCc1c(C(=O)[O-])cnn1CCC(C)C ZINC000042439547 343438610 /nfs/dbraw/zinc/43/86/10/343438610.db2.gz UQBFBQKUNYUUBY-UHFFFAOYSA-N -1 0 210.277 2.190 50 0 BEAARM CSc1ccccc1C(=O)CCC(=O)[O-] ZINC000043214200 343465999 /nfs/dbraw/zinc/46/59/99/343465999.db2.gz XQAZQKFYUQFHFD-UHFFFAOYSA-N -1 0 224.281 2.456 50 0 BEAARM O=C([O-])c1ccc(-c2ccc3nccn3n2)cc1 ZINC000204795661 343592769 /nfs/dbraw/zinc/59/27/69/343592769.db2.gz ZCTDLXSFLRSKTN-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM C[C@H](c1ccccc1)n1cnc(C(=O)[O-])c1 ZINC000082535206 187266597 /nfs/dbraw/zinc/26/65/97/187266597.db2.gz IYDKQZOOBBIDAS-SECBINFHSA-N -1 0 216.240 2.191 50 0 BEAARM Cc1oc(-c2cccs2)nc1CC(=O)[O-] ZINC000049632712 343604901 /nfs/dbraw/zinc/60/49/01/343604901.db2.gz OCDDKCLHRXAOFF-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM CCCCCC[C@H](C)NC(=O)CCC(=O)[O-] ZINC000013943681 346967212 /nfs/dbraw/zinc/96/72/12/346967212.db2.gz UOMULHPGIOYJNB-JTQLQIEISA-N -1 0 229.320 2.326 50 0 BEAARM COc1ccc(F)cc1C(F)(F)C(=O)[O-] ZINC000072297336 187276968 /nfs/dbraw/zinc/27/69/68/187276968.db2.gz SPFGBWKTEVKCCJ-UHFFFAOYSA-N -1 0 220.146 2.011 50 0 BEAARM CCOc1c(F)c(F)cc(C(=O)[O-])c1F ZINC000034781182 344081160 /nfs/dbraw/zinc/08/11/60/344081160.db2.gz HXAPHOPNZQFBEJ-UHFFFAOYSA-N -1 0 220.146 2.201 50 0 BEAARM CN(C)c1cc(Br)cc(C(=O)[O-])c1 ZINC000147573701 187299327 /nfs/dbraw/zinc/29/93/27/187299327.db2.gz CQWRDFKYJBVVQN-UHFFFAOYSA-N -1 0 244.088 2.213 50 0 BEAARM CCCC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000028166997 537901443 /nfs/dbraw/zinc/90/14/43/537901443.db2.gz GHQIXBHPQQGSOM-GFCCVEGCSA-N -1 0 247.294 2.286 50 0 BEAARM Cc1ccc2c(c1)occ(/C=C/C(=O)[O-])c2=O ZINC000000095996 178938369 /nfs/dbraw/zinc/93/83/69/178938369.db2.gz QVVWXAKTIWFKTP-HWKANZROSA-N -1 0 230.219 2.199 50 0 BEAARM Cc1ccc2ccc(CC(=O)[O-])cc2n1 ZINC000082770102 345912302 /nfs/dbraw/zinc/91/23/02/345912302.db2.gz BBTJMWBSZVPLSA-UHFFFAOYSA-N -1 0 201.225 2.170 50 0 BEAARM Cc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000001692356 187361191 /nfs/dbraw/zinc/36/11/91/187361191.db2.gz PNTSMIMYOILILJ-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 in-vitro BEAARM COC(=O)C(C(=O)[O-])=C1SC(C)=C(C)S1 ZINC000000984369 346171250 /nfs/dbraw/zinc/17/12/50/346171250.db2.gz MQOAGAVJDLWMJF-UHFFFAOYSA-N -1 0 246.309 2.187 50 0 BEAARM O=C([O-])c1ccc(F)cc1C(=O)c1cccnc1 ZINC000034118115 346199705 /nfs/dbraw/zinc/19/97/05/346199705.db2.gz HBHVTWNINRHNIA-UHFFFAOYSA-N -1 0 245.209 2.150 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1cccc(C)c1 ZINC000008700443 179001327 /nfs/dbraw/zinc/00/13/27/179001327.db2.gz ANHHQJGCVBLDKI-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1cccc(-n2nnc(C(=O)[O-])c2C(C)C)c1 ZINC000011888084 179002023 /nfs/dbraw/zinc/00/20/23/179002023.db2.gz USFNTQNLZMTUHA-UHFFFAOYSA-N -1 0 245.282 2.397 50 0 BEAARM C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000000246971 346406777 /nfs/dbraw/zinc/40/67/77/346406777.db2.gz VCZPLKWFZCIVCR-RXMQYKEDSA-N -1 0 217.627 2.364 50 0 BEAARM CCN(C(C)=O)c1ccc(C)cc1C(=O)[O-] ZINC000016623091 347195820 /nfs/dbraw/zinc/19/58/20/347195820.db2.gz NBKAIGHQPZGXLF-UHFFFAOYSA-N -1 0 221.256 2.066 50 0 BEAARM Cc1ccccc1-c1noc(CCCC(=O)[O-])n1 ZINC000017087046 179240618 /nfs/dbraw/zinc/24/06/18/179240618.db2.gz KZSCBMYTAQFLFR-UHFFFAOYSA-N -1 0 246.266 2.452 50 0 BEAARM O=C([O-])CC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000198802535 347668360 /nfs/dbraw/zinc/66/83/60/347668360.db2.gz VIWYZOUSDLIGOR-UHFFFAOYSA-N -1 0 246.184 2.292 50 0 BEAARM CCCn1ncnc1-c1ccc(C(=O)[O-])s1 ZINC000390113859 323172701 /nfs/dbraw/zinc/17/27/01/323172701.db2.gz YWCZRIIFTGQAJC-UHFFFAOYSA-N -1 0 237.284 2.115 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000037380679 348390076 /nfs/dbraw/zinc/39/00/76/348390076.db2.gz HRUXUHQNXUDJEP-NEPJUHHUSA-N -1 0 228.251 2.060 50 0 BEAARM CCc1sc(C(=O)[O-])cc1-c1ccnn1C ZINC000116446424 348974595 /nfs/dbraw/zinc/97/45/95/348974595.db2.gz WVHPUXABVFZNGB-UHFFFAOYSA-N -1 0 236.296 2.409 50 0 BEAARM Cc1nc(Nc2ccccc2)ncc1C(=O)[O-] ZINC000008733479 190978390 /nfs/dbraw/zinc/97/83/90/190978390.db2.gz QFUZUVPKPJDREO-UHFFFAOYSA-N -1 0 229.239 2.227 50 0 BEAARM Cc1nc(NC(=O)OC(C)(C)C)oc1C(=O)[O-] ZINC000091695849 180009851 /nfs/dbraw/zinc/00/98/51/180009851.db2.gz LQDJBMREDMPYAM-UHFFFAOYSA-N -1 0 242.231 2.028 50 0 BEAARM Cc1nc2c(F)cccc2cc1C(=O)[O-] ZINC000068135114 180066391 /nfs/dbraw/zinc/06/63/91/180066391.db2.gz VKTIQXPESMYOLI-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM Cc1nc2cc(F)cc(C(=O)[O-])c2nc1C ZINC000036379607 180080203 /nfs/dbraw/zinc/08/02/03/180080203.db2.gz HRAZJYRYYFOCNQ-UHFFFAOYSA-N -1 0 220.203 2.084 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1c(F)cccc1F ZINC000096034526 191054884 /nfs/dbraw/zinc/05/48/84/191054884.db2.gz UHYQXGQALYJYRL-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM COc1cc(Br)cc(F)c1C(=O)[O-] ZINC000098179669 191061848 /nfs/dbraw/zinc/06/18/48/191061848.db2.gz HURPNPSJCSOLOZ-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM O=Cc1cnccc1-c1ccc(C(=O)[O-])s1 ZINC000725261215 538085994 /nfs/dbraw/zinc/08/59/94/538085994.db2.gz WNMPFKKCTUDGRT-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM Cc1nn(C)c2nc(C(C)(C)C)cc(C(=O)[O-])c12 ZINC000011567273 180363941 /nfs/dbraw/zinc/36/39/41/180363941.db2.gz UMAHCAFLDXIFIY-UHFFFAOYSA-N -1 0 247.298 2.272 50 0 BEAARM Cc1nn(C2CCCC2)c(C)c1C(=O)[O-] ZINC000040538521 180385398 /nfs/dbraw/zinc/38/53/98/180385398.db2.gz CMJHVRCMIMFJKX-UHFFFAOYSA-N -1 0 208.261 2.313 50 0 BEAARM Cc1nn(CCCC(=O)[O-])c(C)c1Cl ZINC000020314410 180387507 /nfs/dbraw/zinc/38/75/07/180387507.db2.gz PYFAYCOFOFQTEP-UHFFFAOYSA-N -1 0 216.668 2.018 50 0 BEAARM Cc1onc(-c2ccccc2)c1C(=O)[O-] ZINC000000158490 180552331 /nfs/dbraw/zinc/55/23/31/180552331.db2.gz PENHKTNQUJMHIR-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 in-vitro BEAARM Cn1c(C(=O)[O-])ccc1-c1ccccc1 ZINC000036917684 180614310 /nfs/dbraw/zinc/61/43/10/180614310.db2.gz LSTMANYLITXSFR-UHFFFAOYSA-N -1 0 201.225 2.390 50 0 BEAARM Cn1c2ccccc2nc1SCCC(=O)[O-] ZINC000000122706 180623832 /nfs/dbraw/zinc/62/38/32/180623832.db2.gz LOQYCXQYJMKVRT-UHFFFAOYSA-N -1 0 236.296 2.140 50 0 BEAARM Cn1cc(C(=O)[O-])c(-c2cc(F)ccc2F)n1 ZINC000036894474 180635439 /nfs/dbraw/zinc/63/54/39/180635439.db2.gz AXDQBQOZVFEFSZ-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM CCc1cccc(C)c1NC(=O)CCC(=O)[O-] ZINC000000128587 187582381 /nfs/dbraw/zinc/58/23/81/187582381.db2.gz KFJBDVNOAQRXNZ-UHFFFAOYSA-N -1 0 235.283 2.361 50 0 BEAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[O-] ZINC000000332850 187583240 /nfs/dbraw/zinc/58/32/40/187583240.db2.gz OVJMQMJXWCLLKF-GFCCVEGCSA-N -1 0 231.251 2.035 50 0 biogenic BEAARM O=C([O-])c1nc(Cl)ccc1C(F)(F)F ZINC000016159607 187588202 /nfs/dbraw/zinc/58/82/02/187588202.db2.gz RZVKZFMJRHANIF-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM C/C=C/COc1cccc(CC(=O)[O-])c1 ZINC000042417289 187603699 /nfs/dbraw/zinc/60/36/99/187603699.db2.gz KYHVQQAMMOHETB-NSCUHMNNSA-N -1 0 206.241 2.269 50 0 BEAARM C/C=C(\C)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000221726588 188009545 /nfs/dbraw/zinc/00/95/45/188009545.db2.gz PQFUXOZRCDGYTL-ONNFQVAWSA-N -1 0 239.315 2.102 50 0 BEAARM CC(=O)CSc1ccccc1C(=O)[O-] ZINC000003375023 188275281 /nfs/dbraw/zinc/27/52/81/188275281.db2.gz QIFGESFKZRVPBT-UHFFFAOYSA-N -1 0 210.254 2.066 50 0 BEAARM CC1(C)S[C@@H](c2cccs2)N[C@@H]1C(=O)[O-] ZINC000003107957 188276026 /nfs/dbraw/zinc/27/60/26/188276026.db2.gz CNPAHLACCHNFLI-SFYZADRCSA-N -1 0 243.353 2.315 50 0 BEAARM CCCCC[C@@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000097036366 168740801 /nfs/dbraw/zinc/74/08/01/168740801.db2.gz ONZXZIQHCQXEMM-LLVKDONJSA-N -1 0 239.315 2.102 50 0 BEAARM CCCCC[C@H]1[C@@H](CC(=O)[O-])CC[C@@H]1O ZINC000034181234 168741276 /nfs/dbraw/zinc/74/12/76/168741276.db2.gz AXMWVEOITAQHFI-VWYCJHECSA-N -1 0 214.305 2.429 50 0 BEAARM NC(=O)c1cc(-c2cccc(C(=O)[O-])c2)cs1 ZINC000067974409 181287956 /nfs/dbraw/zinc/28/79/56/181287956.db2.gz PCSUZUKPEXIGIF-UHFFFAOYSA-N -1 0 247.275 2.212 50 0 BEAARM Cn1cccc1-c1noc(C(F)F)c1C(=O)[O-] ZINC000675057582 538479834 /nfs/dbraw/zinc/47/98/34/538479834.db2.gz JVLUMQYKZSJELN-UHFFFAOYSA-N -1 0 242.181 2.316 50 0 BEAARM O=C([O-])c1c(-c2ccc[nH]2)noc1C(F)(F)F ZINC000675057926 538480936 /nfs/dbraw/zinc/48/09/36/538480936.db2.gz RXKWVCRPBFWERV-UHFFFAOYSA-N -1 0 246.144 2.387 50 0 BEAARM CCc1onc(-c2ccco2)c1C(=O)[O-] ZINC000675057727 538480981 /nfs/dbraw/zinc/48/09/81/538480981.db2.gz LZRVWTJDXDOWCS-UHFFFAOYSA-N -1 0 207.185 2.195 50 0 BEAARM O=[S@@]([O-])c1cc(C(F)(F)F)ccc1F ZINC000125982032 538526740 /nfs/dbraw/zinc/52/67/40/538526740.db2.gz URAPHYWIECTQGC-UHFFFAOYSA-N -1 0 228.166 2.425 50 0 BEAARM Fc1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000026513878 357164890 /nfs/dbraw/zinc/16/48/90/357164890.db2.gz AVZZKDZHJRRXAD-UHFFFAOYSA-N -1 0 210.233 2.088 50 0 BEAARM CC(C)(C)Oc1cccc(CCC(=O)[O-])n1 ZINC000075110620 491124576 /nfs/dbraw/zinc/12/45/76/491124576.db2.gz JFFLRQXJXLZTIB-UHFFFAOYSA-N -1 0 223.272 2.276 50 0 BEAARM O=C([O-])c1cc(Cl)ccc1-n1cccn1 ZINC000040449006 358236350 /nfs/dbraw/zinc/23/63/50/358236350.db2.gz MPTICYRNZNKGSR-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM Cc1cccc(-c2cnc(C(=O)[O-])cn2)c1F ZINC000584899256 369047256 /nfs/dbraw/zinc/04/72/56/369047256.db2.gz PFRQECQFHJJUHO-UHFFFAOYSA-N -1 0 232.214 2.289 50 0 BEAARM Cc1cc(C([O-])=C2CCCC2=O)c(C)o1 ZINC000105748089 369065339 /nfs/dbraw/zinc/06/53/39/369065339.db2.gz JZDAGQVMPUQGLL-SECBINFHSA-N -1 0 206.241 2.448 50 0 BEAARM CO[C@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)[O-] ZINC000004025343 372118794 /nfs/dbraw/zinc/11/87/94/372118794.db2.gz NEWSMEZTKJNJKD-IHRRRGAJSA-N -1 0 232.279 2.413 50 0 biogenic BEAARM O=C([O-])c1cccc(C=Cc2nccc(=O)[nH]2)c1 ZINC000606441539 372102018 /nfs/dbraw/zinc/10/20/18/372102018.db2.gz JIZNZNQAXUOPKK-PLNGDYQASA-N -1 0 242.234 2.051 50 0 BEAARM Cc1ccc(C(=O)CCC(=O)[O-])cc1F ZINC000002378690 205457479 /nfs/dbraw/zinc/45/74/79/205457479.db2.gz 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-1 0 219.265 2.437 50 0 BEAARM O=C([O-])[C@@H]1CCc2sc(-n3cccc3)nc21 ZINC000096096204 182517288 /nfs/dbraw/zinc/51/72/88/182517288.db2.gz FLLIWODKBVPAGB-SSDOTTSWSA-N -1 0 234.280 2.048 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)C1(O)CCCC1 ZINC000006507030 182530376 /nfs/dbraw/zinc/53/03/76/182530376.db2.gz MHVVPVXRMHIATI-NSHDSACASA-N -1 0 220.268 2.160 50 0 in-vitro BEAARM O=C([O-])[C@H]1CN(C(=O)C2CCC2)c2ccccc21 ZINC000133860431 182541384 /nfs/dbraw/zinc/54/13/84/182541384.db2.gz ULPOUDXWZKZZPD-NSHDSACASA-N -1 0 245.278 2.002 50 0 BEAARM O=C([O-])c1cc(Cl)cnc1Br ZINC000040448740 182554667 /nfs/dbraw/zinc/55/46/67/182554667.db2.gz KVUYLDGVNHUHCA-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CCCCNc1nc(C)c(C(=O)[O-])s1 ZINC000008024697 168880481 /nfs/dbraw/zinc/88/04/81/168880481.db2.gz RRWGOODWYLNORW-UHFFFAOYSA-N -1 0 214.290 2.362 50 0 BEAARM O=C([O-])c1cccc(C(F)(F)C(F)(F)F)n1 ZINC000169805887 182576557 /nfs/dbraw/zinc/57/65/57/182576557.db2.gz WXYPOLKCWNZENO-UHFFFAOYSA-N -1 0 241.115 2.434 50 0 BEAARM O=C([O-])c1ccc(-c2ccc(=O)[nH]c2)s1 ZINC000008764098 182560822 /nfs/dbraw/zinc/56/08/22/182560822.db2.gz LUQAUEBXWGBRTH-UHFFFAOYSA-N -1 0 221.237 2.214 50 0 BEAARM O=C([O-])c1cccn2c1nnc2C1CCCCC1 ZINC000036241200 182583051 /nfs/dbraw/zinc/58/30/51/182583051.db2.gz RUPQOVXFLBQAAB-UHFFFAOYSA-N -1 0 245.282 2.475 50 0 BEAARM O=C([O-])c1ccnc(C(F)(F)C(F)(F)F)c1 ZINC000306145916 182584719 /nfs/dbraw/zinc/58/47/19/182584719.db2.gz VTMNFMQRUZKJRY-UHFFFAOYSA-N -1 0 241.115 2.434 50 0 BEAARM O=C([O-])c1ccnc(/C=C/c2cncs2)c1 ZINC000170091795 182585047 /nfs/dbraw/zinc/58/50/47/182585047.db2.gz DKMOQULRQPNOSB-OWOJBTEDSA-N -1 0 232.264 2.407 50 0 BEAARM O=C([O-])c1cnc2ccc(C(F)(F)F)cn12 ZINC000052507962 182590724 /nfs/dbraw/zinc/59/07/24/182590724.db2.gz MXEBZMQCMRVHSQ-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM O=C([O-])c1ncoc1-c1cccc(F)c1 ZINC000020442775 182595896 /nfs/dbraw/zinc/59/58/96/182595896.db2.gz PLKBCEKRBXOTJA-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1nccnc1Oc1cccc(F)c1 ZINC000054552935 182596420 /nfs/dbraw/zinc/59/64/20/182596420.db2.gz XFTJASGXXRSKRG-UHFFFAOYSA-N -1 0 234.186 2.106 50 0 BEAARM O=CNc1ccc2[n-]c(=S)sc2c1 ZINC000000408031 182854170 /nfs/dbraw/zinc/85/41/70/182854170.db2.gz UWNCYYSAPQELAU-UHFFFAOYSA-N -1 0 210.283 2.153 50 0 BEAARM O=Cc1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000012336484 182864154 /nfs/dbraw/zinc/86/41/54/182864154.db2.gz JNJBJGZPIGBYIS-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM O=c1ccc2c([O-])c3ccoc3cc2o1 ZINC000005842977 183000687 /nfs/dbraw/zinc/00/06/87/183000687.db2.gz GIJHDGJRTUSBJR-UHFFFAOYSA-N -1 0 202.165 2.245 50 0 endogenous,in-man BEAARM O=c1nc(-c2ccccc2)nc(-c2ccccc2)[n-]1 ZINC000018207009 183007810 /nfs/dbraw/zinc/00/78/10/183007810.db2.gz KODLDJGSBFMSDG-UHFFFAOYSA-N -1 0 249.273 2.499 50 0 BEAARM CCCCc1nc2ccccc2n1CC(=O)[O-] ZINC000003886755 169027574 /nfs/dbraw/zinc/02/75/74/169027574.db2.gz KTWJTCCDVNQGKN-UHFFFAOYSA-N -1 0 232.283 2.464 50 0 BEAARM [O-]c1cnc(Cl)cc1Br ZINC000238664111 183305664 /nfs/dbraw/zinc/30/56/64/183305664.db2.gz RDVSUXPUQWXZFG-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM O=c1nc(-c2cccc(Br)c2)[n-]o1 ZINC000037926754 183306288 /nfs/dbraw/zinc/30/62/88/183306288.db2.gz WUSUENNDIGIWCF-UHFFFAOYSA-N -1 0 241.044 2.205 50 0 BEAARM O=c1nc[n-]c2c(-c3ccccc3)nsc21 ZINC000032951462 183309551 /nfs/dbraw/zinc/30/95/51/183309551.db2.gz PYERYCKBJGGKEV-UHFFFAOYSA-N -1 0 229.264 2.459 50 0 BEAARM CCCOc1ccccc1Nc1nncc(=O)[n-]1 ZINC000007995028 169327436 /nfs/dbraw/zinc/32/74/36/169327436.db2.gz SZYDXLONZZKEIB-UHFFFAOYSA-N -1 0 246.270 2.110 50 0 BEAARM O=C([O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000000105292 383827462 /nfs/dbraw/zinc/82/74/62/383827462.db2.gz ZMTIBXQPXBUWPQ-UHFFFAOYSA-N -1 0 220.146 2.212 50 0 BEAARM O=C([O-])/C=C/c1ccc(Cn2ccnc2)cc1 ZINC000000005389 383818002 /nfs/dbraw/zinc/81/80/02/383818002.db2.gz SHZKQBHERIJWAO-AATRIKPKSA-N -1 0 228.251 2.029 50 0 investigational BEAARM O=C([O-])Cc1ccc(-n2cccc2)cc1 ZINC000000033691 383819586 /nfs/dbraw/zinc/81/95/86/383819586.db2.gz KCZGWRZYJZGMQW-UHFFFAOYSA-N -1 0 201.225 2.104 50 0 BEAARM O=C([O-])CSc1nc2ccccc2s1 ZINC000000113984 383826616 /nfs/dbraw/zinc/82/66/16/383826616.db2.gz ZZUQWNYNSKJLPI-UHFFFAOYSA-N -1 0 225.294 2.473 50 0 BEAARM O=Cc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000035432648 383859540 /nfs/dbraw/zinc/85/95/40/383859540.db2.gz LLPYZPOQHKWXFH-UHFFFAOYSA-N -1 0 246.218 2.369 50 0 BEAARM O=C([O-])CCC(=O)NC1CCCCCCC1 ZINC000000371890 383859614 /nfs/dbraw/zinc/85/96/14/383859614.db2.gz GGGQYDFERFYSMO-UHFFFAOYSA-N -1 0 227.304 2.080 50 0 BEAARM Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000000404233 383864060 /nfs/dbraw/zinc/86/40/60/383864060.db2.gz ZZYYOHPHSYCHQG-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM O=C([O-])/C=C/c1coc2ccc(F)cc2c1=O ZINC000000454975 383869803 /nfs/dbraw/zinc/86/98/03/383869803.db2.gz KOFJCOCNYHIPRG-DAFODLJHSA-N -1 0 234.182 2.030 50 0 BEAARM O=C([O-])CCSc1ncnc2ccccc21 ZINC000000129576 383829245 /nfs/dbraw/zinc/82/92/45/383829245.db2.gz WQTFNWOAHQIRIR-UHFFFAOYSA-N -1 0 234.280 2.197 50 0 BEAARM O=C([O-])c1cc(O)ccc1C(F)(F)F ZINC000089064082 383930814 /nfs/dbraw/zinc/93/08/14/383930814.db2.gz QYGBIUJXLVIFCS-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002572711 383978379 /nfs/dbraw/zinc/97/83/79/383978379.db2.gz LUXMZCJCTUATDM-MRVPVSSYSA-N -1 0 231.292 2.010 50 0 BEAARM O=C([O-])/C=C/c1c(Cl)nc2ccccn12 ZINC000002654623 383981528 /nfs/dbraw/zinc/98/15/28/383981528.db2.gz CPOFUPGJZDFDDC-SNAWJCMRSA-N -1 0 222.631 2.086 50 0 BEAARM O=C([O-])Cc1cccc(C(F)(F)F)c1F ZINC000002600102 383982004 /nfs/dbraw/zinc/98/20/04/383982004.db2.gz IZXLNEHPKQVCAE-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1-c1cn[nH]c1 ZINC000067850113 383952392 /nfs/dbraw/zinc/95/23/92/383952392.db2.gz KFBATMNIWVLWHX-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM O=C([O-])CCC(=O)c1ccccc1Cl ZINC000002518017 383969093 /nfs/dbraw/zinc/96/90/93/383969093.db2.gz JIFTXSSZTRPMNW-UHFFFAOYSA-N -1 0 212.632 2.388 50 0 BEAARM O=C([O-])/C=C/c1cc(Br)ccc1O ZINC000002524640 383971144 /nfs/dbraw/zinc/97/11/44/383971144.db2.gz UMKKBQOEMLWVAQ-DAFODLJHSA-N -1 0 243.056 2.253 50 0 BEAARM O=C([O-])Cc1cc(F)c(F)cc1Cl ZINC000002540651 383974250 /nfs/dbraw/zinc/97/42/50/383974250.db2.gz HQCLABFTLVSILQ-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM CC(=O)c1cn([C@H](C)C(=O)[O-])c2ccccc12 ZINC000004933364 384089250 /nfs/dbraw/zinc/08/92/50/384089250.db2.gz UTUHECCDUKQQNB-MRVPVSSYSA-N -1 0 231.251 2.490 50 0 BEAARM O=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1 ZINC000004701854 384078172 /nfs/dbraw/zinc/07/81/72/384078172.db2.gz NBKUITQBQNMEDQ-UHFFFAOYSA-N -1 0 249.049 2.269 50 0 BEAARM O=C([O-])Cn1c2ccccc2c2c1CCC2 ZINC000004992681 384094099 /nfs/dbraw/zinc/09/40/99/384094099.db2.gz GVLJHJVOVQMKLI-UHFFFAOYSA-N -1 0 215.252 2.215 50 0 BEAARM O=C([O-])CCCc1nnc(-c2ccccc2)o1 ZINC000005685232 384124624 /nfs/dbraw/zinc/12/46/24/384124624.db2.gz WKTZMTARAUCRSD-UHFFFAOYSA-N -1 0 232.239 2.144 50 0 BEAARM O=C([O-])[C@@H]1CSC[C@H]1c1ccccc1 ZINC000117001313 384137587 /nfs/dbraw/zinc/13/75/87/384137587.db2.gz ZABHZUNEOJIABN-VHSXEESVSA-N -1 0 208.282 2.218 50 0 BEAARM O=C([O-])CCCc1nc2cc(F)ccc2[nH]1 ZINC000006445993 384153329 /nfs/dbraw/zinc/15/33/29/384153329.db2.gz DNPLWCZFIHGTJH-UHFFFAOYSA-N -1 0 222.219 2.109 50 0 BEAARM CC(=O)c1sc([N-]c2ncccn2)nc1C ZINC000006500438 384155884 /nfs/dbraw/zinc/15/58/84/384155884.db2.gz IGGFVQDWQZHDLT-UHFFFAOYSA-N -1 0 234.284 2.188 50 0 BEAARM COc1c(F)cc(F)cc1/C=C/C(=O)[O-] ZINC000071867259 384184045 /nfs/dbraw/zinc/18/40/45/384184045.db2.gz LCZJSDPZIJRCKT-NSCUHMNNSA-N -1 0 214.167 2.071 50 0 BEAARM O=C([O-])Cc1cc(F)ccc1OC(F)(F)F ZINC000071867290 384184422 /nfs/dbraw/zinc/18/44/22/384184422.db2.gz PXFXODIBVVHYJW-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])Cc1cccc(OCc2ccncc2)c1 ZINC000042417256 384217290 /nfs/dbraw/zinc/21/72/90/384217290.db2.gz IXBPBCHPODMZRI-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM Cc1c2ccccc2[nH]c(=O)c1CCC(=O)[O-] ZINC000008868373 384223032 /nfs/dbraw/zinc/22/30/32/384223032.db2.gz INDBCVKRYIAIQP-UHFFFAOYSA-N -1 0 231.251 2.266 50 0 BEAARM COc1ccc2[nH]c(C)c(CC(=O)[O-])c2c1 ZINC000000056398 384256656 /nfs/dbraw/zinc/25/66/56/384256656.db2.gz TXWGINUZLBAKDF-UHFFFAOYSA-N -1 0 219.240 2.112 50 0 biogenic,world BEAARM O=C([O-])/C=C/c1c(F)c(F)c(F)c(F)c1F ZINC000012342729 384314034 /nfs/dbraw/zinc/31/40/34/384314034.db2.gz IUUKDBLGVZISGW-OWOJBTEDSA-N -1 0 238.111 2.480 50 0 in-vitro BEAARM O=C([O-])C1=NO[C@@H](c2ccc(Cl)cc2)C1 ZINC000012398973 384316461 /nfs/dbraw/zinc/31/64/61/384316461.db2.gz LNDRHUYPIJWCEO-SECBINFHSA-N -1 0 225.631 2.242 50 0 BEAARM O=C([O-])C1=NO[C@@H](c2cccc(Cl)c2)C1 ZINC000012399096 384317324 /nfs/dbraw/zinc/31/73/24/384317324.db2.gz COPXHIMKUIIRKM-SECBINFHSA-N -1 0 225.631 2.242 50 0 BEAARM O=C([O-])c1cnc(C(F)(F)F)cc1Cl ZINC000094986238 384327361 /nfs/dbraw/zinc/32/73/61/384327361.db2.gz CIGVUOHSGVRSIC-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Nc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000095495496 384377900 /nfs/dbraw/zinc/37/79/00/384377900.db2.gz WNRBJGHVSBEMQR-UHFFFAOYSA-N -1 0 232.214 2.168 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(=O)[O-] ZINC000095495937 384377998 /nfs/dbraw/zinc/37/79/98/384377998.db2.gz CXKVEJHPQAZLCY-VIFPVBQESA-N -1 0 243.303 2.155 50 0 BEAARM O=C([O-])c1nc(Cl)ccc1Br ZINC000016123699 384454329 /nfs/dbraw/zinc/45/43/29/384454329.db2.gz RDZPMWLHALUNCD-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])Cc1ccc(Br)cc1F ZINC000015442857 384431089 /nfs/dbraw/zinc/43/10/89/384431089.db2.gz PNBIYFPZODYMOO-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM Cc1[nH]nc(-c2cccs2)c1CC(=O)[O-] ZINC000079124076 384486174 /nfs/dbraw/zinc/48/61/74/384486174.db2.gz KTTZMESPESBVLP-UHFFFAOYSA-N -1 0 222.269 2.074 50 0 BEAARM O=C([O-])CSCC(=O)c1c[nH]c2ccccc21 ZINC000006243788 384489779 /nfs/dbraw/zinc/48/97/79/384489779.db2.gz ZPHLIEDVCSEMGP-UHFFFAOYSA-N -1 0 249.291 2.168 50 0 biogenic BEAARM O=c1nc(CCC(F)(F)F)[n-]c2ccsc21 ZINC000079913362 384520946 /nfs/dbraw/zinc/52/09/46/384520946.db2.gz NQIGDLYPJJPTLK-UHFFFAOYSA-N -1 0 248.229 2.480 50 0 BEAARM O=C([O-])Cn1ccc2ccc(Cl)cc21 ZINC000019702658 384533873 /nfs/dbraw/zinc/53/38/73/384533873.db2.gz OUXDBYYTCZPJLG-UHFFFAOYSA-N -1 0 209.632 2.379 50 0 BEAARM CCN(CC(=O)[O-])C(=O)C1(CC(C)C)CCC1 ZINC000097035585 384562769 /nfs/dbraw/zinc/56/27/69/384562769.db2.gz XDBQRHILWRNMQP-UHFFFAOYSA-N -1 0 241.331 2.136 50 0 BEAARM O=C([O-])CCCc1cc(F)ccc1F ZINC000020217140 384603339 /nfs/dbraw/zinc/60/33/39/384603339.db2.gz YOAQSNJATYPYII-UHFFFAOYSA-N -1 0 200.184 2.372 50 0 BEAARM O=C([O-])Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020269096 384610874 /nfs/dbraw/zinc/61/08/74/384610874.db2.gz QCFCLKNLNJSWMD-UHFFFAOYSA-N -1 0 238.630 2.017 50 0 BEAARM O=C([O-])c1ccc(C(F)(F)F)c(Cl)n1 ZINC000082046728 384643993 /nfs/dbraw/zinc/64/39/93/384643993.db2.gz PPQPJHRYVXXZTI-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM COc1cc(CCC(=O)[O-])ccc1Cl ZINC000082164122 384648439 /nfs/dbraw/zinc/64/84/39/384648439.db2.gz UPDMPFIWZPUFKG-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM O=C([O-])CCOc1ccc(Cl)c(F)c1 ZINC000075881232 384649165 /nfs/dbraw/zinc/64/91/65/384649165.db2.gz MXWCSIQMIPQHNF-UHFFFAOYSA-N -1 0 218.611 2.333 50 0 BEAARM CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000021994808 384720506 /nfs/dbraw/zinc/72/05/06/384720506.db2.gz MEYLFQCWVDJSQU-UHFFFAOYSA-N -1 0 203.197 2.069 50 0 BEAARM COc1cc(C(=O)[O-])sc1Br ZINC000083925334 384817734 /nfs/dbraw/zinc/81/77/34/384817734.db2.gz SSZYFNWEXXZETP-UHFFFAOYSA-N -1 0 237.074 2.217 50 0 BEAARM Cc1nc(C(C)(C)C)oc1CCC(=O)[O-] ZINC000108274521 385028328 /nfs/dbraw/zinc/02/83/28/385028328.db2.gz UDAWWLYQCCXVEH-UHFFFAOYSA-N -1 0 211.261 2.298 50 0 BEAARM CCSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000059095868 385040580 /nfs/dbraw/zinc/04/05/80/385040580.db2.gz MLYNOSGTCYXWHB-UHFFFAOYSA-N -1 0 248.307 2.050 50 0 BEAARM CC(C)(C)/C=C/C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136477171 385111237 /nfs/dbraw/zinc/11/12/37/385111237.db2.gz WBABEPNQENIECB-JARNTUPDSA-N -1 0 239.315 2.054 50 0 BEAARM O=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000062864103 385192908 /nfs/dbraw/zinc/19/29/08/385192908.db2.gz MYYFNVVSDXUHCL-UHFFFAOYSA-N -1 0 209.151 2.211 50 0 BEAARM CC(C)c1ccccc1N1C[C@@H](C(=O)[O-])C[C@@H]1O ZINC000064038013 385243439 /nfs/dbraw/zinc/24/34/39/385243439.db2.gz WUHLHTXBWLRYKD-GWCFXTLKSA-N -1 0 249.310 2.039 50 0 BEAARM O=C([O-])c1ncccc1-c1ccccc1O ZINC000065347090 385301136 /nfs/dbraw/zinc/30/11/36/385301136.db2.gz FUHCFYXJYURTFC-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])c1cn2ccnc(-c3ccccc3)c2n1 ZINC000169676673 385416888 /nfs/dbraw/zinc/41/68/88/385416888.db2.gz CXONYZCRZKPTKH-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM CC(C)[C@@H](O)[P@](=O)([O-])CCc1ccccc1 ZINC000000550309 385496380 /nfs/dbraw/zinc/49/63/80/385496380.db2.gz XMDMSDCYKWBMBH-LBPRGKRZSA-N -1 0 242.255 2.474 50 0 BEAARM Cc1cc(C)cc([C@@H](NC(=O)C(C)C)C(=O)[O-])c1 ZINC000257646715 385773883 /nfs/dbraw/zinc/77/38/83/385773883.db2.gz CFJRLZYXUBWRES-GFCCVEGCSA-N -1 0 249.310 2.201 50 0 BEAARM O=C([O-])[C@H](O)c1c(F)c(Cl)ccc1Cl ZINC000258145273 385775644 /nfs/dbraw/zinc/77/56/44/385775644.db2.gz BOKKWYYUZKKAAG-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)c(F)cc1Cl ZINC000258257912 385776647 /nfs/dbraw/zinc/77/66/47/385776647.db2.gz NICSACQNIPEWDJ-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])C[C@@H]1COc2ccc(Cl)cc2C1=O ZINC000045921828 385935322 /nfs/dbraw/zinc/93/53/22/385935322.db2.gz OLUUTPGWSBFJNQ-ZCFIWIBFSA-N -1 0 240.642 2.006 50 0 BEAARM O=C1NC(=O)c2cc(Oc3ccccc3)ccc21 ZINC000000360347 386328925 /nfs/dbraw/zinc/32/89/25/386328925.db2.gz ADMMGQSIWCCWJV-UHFFFAOYSA-N -1 0 239.230 2.363 50 0 BEAARM CC(C)=CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918680 386483119 /nfs/dbraw/zinc/48/31/19/386483119.db2.gz MQUAQPLBYCWYGD-UHFFFAOYSA-N -1 0 247.294 2.309 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1ccnn1-c1ccccc1 ZINC000242687526 386549425 /nfs/dbraw/zinc/54/94/25/386549425.db2.gz ULKIXMQIWUVVKB-QWRGUYRKSA-N -1 0 228.251 2.060 50 0 BEAARM CC(C)(C)C1=NO[C@@H]([P@](C)(=O)[O-])C1 ZINC000033901762 387116903 /nfs/dbraw/zinc/11/69/03/387116903.db2.gz GXUPUFYVANJJEN-ZETCQYMHSA-N -1 0 205.194 2.035 50 0 BEAARM O=C([O-])c1ccc(NCCc2ccccn2)cc1 ZINC000050913063 387152078 /nfs/dbraw/zinc/15/20/78/387152078.db2.gz ZERPSBYNMZTSBZ-UHFFFAOYSA-N -1 0 242.278 2.434 50 0 BEAARM O=C([O-])Cc1coc2c1c(F)ccc2F ZINC000075882443 387154091 /nfs/dbraw/zinc/15/40/91/387154091.db2.gz OGSHTVWJUBMQEK-UHFFFAOYSA-N -1 0 212.151 2.338 50 0 BEAARM CCCCOC(=O)N=c1[n-]nc(C)s1 ZINC000001770700 387644156 /nfs/dbraw/zinc/64/41/56/387644156.db2.gz JHNTVTYLDPLYMA-UHFFFAOYSA-N -1 0 215.278 2.195 50 0 BEAARM Cc1ccsc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000069837758 387717088 /nfs/dbraw/zinc/71/70/88/387717088.db2.gz BXPRZDGAKQDKDN-MRVPVSSYSA-N -1 0 241.312 2.040 50 0 BEAARM Cc1cc(C)c(Nc2nc(=O)c(C)n[n-]2)c(C)c1 ZINC000008741235 177867257 /nfs/dbraw/zinc/86/72/57/177867257.db2.gz KJTBYKVOTVCNJM-UHFFFAOYSA-N -1 0 244.298 2.142 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1Cc1ccco1 ZINC000004206644 177821919 /nfs/dbraw/zinc/82/19/19/177821919.db2.gz IAEYHHRNDQVTRT-UHFFFAOYSA-N -1 0 219.240 2.444 50 0 BEAARM Cc1ccsc1C(=O)NCCCCC(=O)[O-] ZINC000070191350 388284450 /nfs/dbraw/zinc/28/44/50/388284450.db2.gz CZHNPXRLJYUKIX-UHFFFAOYSA-N -1 0 241.312 2.041 50 0 BEAARM O=C([O-])[C@H]1CC(=O)c2cccc(Cl)c21 ZINC000057496371 388361250 /nfs/dbraw/zinc/36/12/50/388361250.db2.gz ZCABVHSHTGBTSM-LURJTMIESA-N -1 0 210.616 2.095 50 0 BEAARM C[C@H]1CCC[C@@H](CC(=O)NCCCC(=O)[O-])C1 ZINC000195541414 388479065 /nfs/dbraw/zinc/47/90/65/388479065.db2.gz OGFVKKRSNMCBTB-WDEREUQCSA-N -1 0 241.331 2.184 50 0 BEAARM C[C@@H]1CCC[C@H](CC(=O)NCCCC(=O)[O-])C1 ZINC000195541417 388479234 /nfs/dbraw/zinc/47/92/34/388479234.db2.gz OGFVKKRSNMCBTB-MNOVXSKESA-N -1 0 241.331 2.184 50 0 BEAARM CC(C)(C)OC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000395502969 388596975 /nfs/dbraw/zinc/59/69/75/388596975.db2.gz XJCKQINCVTVOIG-VIFPVBQESA-N -1 0 228.288 2.219 50 0 BEAARM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000395502967 256862225 /nfs/dbraw/zinc/86/22/25/256862225.db2.gz XJCKQINCVTVOIG-SECBINFHSA-N -1 0 228.288 2.219 50 0 BEAARM O=C([O-])c1ccc(SC(F)(F)F)nc1 ZINC000041669114 388696050 /nfs/dbraw/zinc/69/60/50/388696050.db2.gz ARPAZVQRHOXDES-UHFFFAOYSA-N -1 0 223.175 2.392 50 0 BEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000095989955 388801563 /nfs/dbraw/zinc/80/15/63/388801563.db2.gz PLLFIUNYPPSKQI-GFCCVEGCSA-N -1 0 245.278 2.223 50 0 BEAARM O=C([O-])c1ccc(C(=O)N[C@H]2C=CCCC2)cc1 ZINC000095989954 388801995 /nfs/dbraw/zinc/80/19/95/388801995.db2.gz PLLFIUNYPPSKQI-LBPRGKRZSA-N -1 0 245.278 2.223 50 0 BEAARM CC1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000004217696 132316503 /nfs/dbraw/zinc/31/65/03/132316503.db2.gz JCXHFIVPZXGKPF-UHFFFAOYSA-N -1 0 220.272 2.016 50 0 BEAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2CC2)c1 ZINC000263352047 135348908 /nfs/dbraw/zinc/34/89/08/135348908.db2.gz VWLQOGNOTDKMIH-MRVPVSSYSA-N -1 0 233.267 2.223 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)OCc1ccccc1 ZINC000196913963 397927801 /nfs/dbraw/zinc/92/78/01/397927801.db2.gz DWNPZFIFAANQPB-SNVBAGLBSA-N -1 0 236.267 2.231 50 0 BEAARM CCC1(C(=O)N[C@H](CC(C)C)C(=O)[O-])CCC1 ZINC000170047873 397965929 /nfs/dbraw/zinc/96/59/29/397965929.db2.gz VFARVNAHTPAHSC-SNVBAGLBSA-N -1 0 241.331 2.182 50 0 BEAARM O=C([O-])CCOc1ccc(F)c(Cl)c1 ZINC000022142336 397972689 /nfs/dbraw/zinc/97/26/89/397972689.db2.gz WZTNYDNNJNYXMT-UHFFFAOYSA-N -1 0 218.611 2.333 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1C[C@H]1CCCOC1 ZINC000044981709 398092419 /nfs/dbraw/zinc/09/24/19/398092419.db2.gz XSRFEEQJQGPUOT-LLVKDONJSA-N -1 0 237.299 2.230 50 0 BEAARM COc1ccc(C(=O)[O-])c(Cl)c1C ZINC000034566066 322900596 /nfs/dbraw/zinc/90/05/96/322900596.db2.gz YWGWQHLSYJBRCB-UHFFFAOYSA-N -1 0 200.621 2.355 50 0 BEAARM CC(C(=S)C(=O)[O-])c1cccc(O)c1 ZINC000102314234 166231163 /nfs/dbraw/zinc/23/11/63/166231163.db2.gz JTVAIDOSLGTTOD-RMKNXTFCSA-N -1 0 210.254 2.138 50 0 BEAARM CC(C)(C)OC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000002386596 166659622 /nfs/dbraw/zinc/65/96/22/166659622.db2.gz KXMRDHPZQHAXML-UHFFFAOYSA-N -1 0 243.303 2.155 50 0 BEAARM CC(C)NC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000238936 167083901 /nfs/dbraw/zinc/08/39/01/167083901.db2.gz LBJUSTCMHUWDQD-NOZJJQNGSA-N -1 0 241.331 2.038 50 0 BEAARM CC(C)Oc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000009379602 167301811 /nfs/dbraw/zinc/30/18/11/167301811.db2.gz FYRONVMUOKBALL-UHFFFAOYSA-N -1 0 247.250 2.014 50 0 BEAARM CC(C)Oc1ncc(C(=O)[O-])cc1Cl ZINC000019404824 167314793 /nfs/dbraw/zinc/31/47/93/167314793.db2.gz PZDIVDDFLGKWID-UHFFFAOYSA-N -1 0 215.636 2.220 50 0 BEAARM CC(C)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002389788 167390124 /nfs/dbraw/zinc/39/01/24/167390124.db2.gz TUFIBOHQJUSMKX-SECBINFHSA-N -1 0 245.319 2.401 50 0 BEAARM CC(C)c1cccc(-n2cc(O)c(C(=O)[O-])n2)c1 ZINC000037010695 167628981 /nfs/dbraw/zinc/62/89/81/167628981.db2.gz IZGNORNRZCCVCK-UHFFFAOYSA-N -1 0 246.266 2.400 50 0 BEAARM CC1(OCC(=O)[O-])C2CC3CC(C2)CC1C3 ZINC000006668254 168070527 /nfs/dbraw/zinc/07/05/27/168070527.db2.gz CICRGRGDPKPBRS-UHFFFAOYSA-N -1 0 224.300 2.302 50 0 BEAARM CC1=CC[C@H]([C@]2(C)CC(C(=O)[O-])=NO2)CC1 ZINC000012416775 168121652 /nfs/dbraw/zinc/12/16/52/168121652.db2.gz BVSRPFFUJYAQCM-CABZTGNLSA-N -1 0 223.272 2.352 50 0 BEAARM Cc1cc(=O)n(-c2ccc(C(F)(F)F)cn2)[n-]1 ZINC000000711856 168134664 /nfs/dbraw/zinc/13/46/64/168134664.db2.gz QFZNPPLSJURITG-UHFFFAOYSA-N -1 0 243.188 2.213 50 0 BEAARM CCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100699167 168252006 /nfs/dbraw/zinc/25/20/06/168252006.db2.gz HFGTVPSCLRKMJX-GFCCVEGCSA-N -1 0 230.267 2.004 50 0 BEAARM CCOC(=O)C=C([O-])c1ccccc1Cl ZINC000001601784 170197229 /nfs/dbraw/zinc/19/72/29/170197229.db2.gz DLFBNTUSDQSFOF-UHFFFAOYSA-N -1 0 226.659 2.476 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(F)ccc1C ZINC000052140011 170197420 /nfs/dbraw/zinc/19/74/20/170197420.db2.gz VGJUIZLAABNBIR-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(F)c(F)c1 ZINC000000395891 170197436 /nfs/dbraw/zinc/19/74/36/170197436.db2.gz IEJMFJYBMANBQM-UHFFFAOYSA-N -1 0 228.194 2.101 50 0 BEAARM CC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007307853 170755397 /nfs/dbraw/zinc/75/53/97/170755397.db2.gz UXYQQNILNAIHIC-SSDOTTSWSA-N -1 0 249.282 2.042 50 0 BEAARM CC[C@@]1(C)Cc2c(sc(N)c2C(=O)[O-])CO1 ZINC000004438128 171207866 /nfs/dbraw/zinc/20/78/66/171207866.db2.gz UIVQDFYAZGXZAL-NSHDSACASA-N -1 0 241.312 2.270 50 0 BEAARM CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000097020129 171387894 /nfs/dbraw/zinc/38/78/94/171387894.db2.gz CULVGIKEFCRFHK-YUMQZZPRSA-N -1 0 239.271 2.142 50 0 BEAARM CCc1cc(C(=O)[O-])nn1Cc1ccccc1 ZINC000071534553 171755652 /nfs/dbraw/zinc/75/56/52/171755652.db2.gz XDFBAVKLTRQXTA-UHFFFAOYSA-N -1 0 230.267 2.192 50 0 BEAARM CCn1c(=O)c2ccccc2[n-]c1=S ZINC000003880981 172132943 /nfs/dbraw/zinc/13/29/43/172132943.db2.gz OCZQWRFOQPLYPD-UHFFFAOYSA-N -1 0 206.270 2.079 50 0 BEAARM CCn1c2ccccc2c(C=O)c1C(=O)[O-] ZINC000004636238 172133449 /nfs/dbraw/zinc/13/34/49/172133449.db2.gz YMYGLYURHOIYKG-UHFFFAOYSA-N -1 0 217.224 2.172 50 0 BEAARM CCn1c2ccccc2nc1CCCC(=O)[O-] ZINC000004386792 172143209 /nfs/dbraw/zinc/14/32/09/172143209.db2.gz YWGBWXFMJJEGAH-UHFFFAOYSA-N -1 0 232.283 2.464 50 0 BEAARM CCn1c2ccccc2nc1SCC(=O)[O-] ZINC000000122713 172147421 /nfs/dbraw/zinc/14/74/21/172147421.db2.gz PFHMOWCRFNUPGT-UHFFFAOYSA-N -1 0 236.296 2.233 50 0 BEAARM CCn1cc(CC(=O)[O-])c2ccccc21 ZINC000004973403 172157807 /nfs/dbraw/zinc/15/78/07/172157807.db2.gz NCHHYGWGXAVANC-UHFFFAOYSA-N -1 0 203.241 2.288 50 0 BEAARM COC(=O)N=c1[n-]nc(CC2CCCC2)s1 ZINC000001056639 173663885 /nfs/dbraw/zinc/66/38/85/173663885.db2.gz HOILMJCAEGXJHH-UHFFFAOYSA-N -1 0 241.316 2.449 50 0 BEAARM COc1ccc(-c2[nH]nc(C)c2C(=O)[O-])cc1 ZINC000004543174 175029336 /nfs/dbraw/zinc/02/93/36/175029336.db2.gz ZGOHZAXDOKDVDR-UHFFFAOYSA-N -1 0 232.239 2.092 50 0 BEAARM COc1ccc(-c2ccc(C(=O)[O-])o2)c(N)c1 ZINC000073640294 175033398 /nfs/dbraw/zinc/03/33/98/175033398.db2.gz FUDZIMYTDXDDLD-UHFFFAOYSA-N -1 0 233.223 2.236 50 0 BEAARM COc1ccc(-c2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000022124010 175040551 /nfs/dbraw/zinc/04/05/51/175040551.db2.gz LQSJKZGFNLJQHE-UHFFFAOYSA-N -1 0 244.250 2.159 50 0 BEAARM COc1ccc(-n2nc(C)c(C(=O)[O-])c2C)cc1 ZINC000006773873 175044798 /nfs/dbraw/zinc/04/47/98/175044798.db2.gz FCLXEGXXPRUTQZ-UHFFFAOYSA-N -1 0 246.266 2.196 50 0 BEAARM COc1ccc(/C=C/C(=O)[O-])cc1Cl ZINC000000479915 175047087 /nfs/dbraw/zinc/04/70/87/175047087.db2.gz FFQJKQJQLDOHDW-HWKANZROSA-N -1 0 212.632 2.446 50 0 BEAARM COc1ccc(/C=C/C(=O)[O-])c(F)c1F ZINC000039712923 175047490 /nfs/dbraw/zinc/04/74/90/175047490.db2.gz KSQQVCSWUHCHLA-HWKANZROSA-N -1 0 214.167 2.071 50 0 BEAARM COc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000002378753 175052922 /nfs/dbraw/zinc/05/29/22/175052922.db2.gz MWWLDHHCRLWJJE-UHFFFAOYSA-N -1 0 236.267 2.379 50 0 BEAARM COc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100034341 175053098 /nfs/dbraw/zinc/05/30/98/175053098.db2.gz NNEIYSHJFCLFES-UHFFFAOYSA-N -1 0 246.184 2.399 50 0 in-vitro BEAARM COc1ccc(C(=O)CCC(=O)[O-])c(C)c1 ZINC000000197792 175053532 /nfs/dbraw/zinc/05/35/32/175053532.db2.gz OGCYNHAUTSYTNA-UHFFFAOYSA-N -1 0 222.240 2.051 50 0 biogenic BEAARM COc1ccc(C(=O)CCC(=O)[O-])cc1C ZINC000004511272 175054021 /nfs/dbraw/zinc/05/40/21/175054021.db2.gz WNNVNQBKNSPKPP-UHFFFAOYSA-N -1 0 222.240 2.051 50 0 biogenic BEAARM COc1ccc(C(=O)[O-])c(OC(C)C)c1 ZINC000042372635 175064258 /nfs/dbraw/zinc/06/42/58/175064258.db2.gz WHAPKQZDOXOUOQ-UHFFFAOYSA-N -1 0 210.229 2.181 50 0 BEAARM COc1ccc(C(=O)[O-])cc1-n1cccc1 ZINC000013566342 175064533 /nfs/dbraw/zinc/06/45/33/175064533.db2.gz DMEAHEOVFMRNLP-UHFFFAOYSA-N -1 0 217.224 2.184 50 0 BEAARM COc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000002572883 175064760 /nfs/dbraw/zinc/06/47/60/175064760.db2.gz VNWUPESTVBTYJM-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1ccc(C(=O)[O-])nc1-c1ccccc1 ZINC000019872941 175065079 /nfs/dbraw/zinc/06/50/79/175065079.db2.gz OQCAPSMJISQCJW-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(C2(C(=O)[O-])CCC2)cc1 ZINC000021952688 175083433 /nfs/dbraw/zinc/08/34/33/175083433.db2.gz FKPWMQWXYOZELT-UHFFFAOYSA-N -1 0 206.241 2.202 50 0 BEAARM COc1ccc(CC(=O)[O-])cc1-c1cccnc1 ZINC000034929226 175087747 /nfs/dbraw/zinc/08/77/47/175087747.db2.gz UMLOLUDHZXASSS-UHFFFAOYSA-N -1 0 243.262 2.384 50 0 BEAARM COc1ccc(F)c([O-])c1Br ZINC000261494214 175126997 /nfs/dbraw/zinc/12/69/97/175126997.db2.gz RZKBQTUUEPEAKB-UHFFFAOYSA-N -1 0 221.025 2.302 50 0 BEAARM COc1ccc(OC(F)(F)F)cc1C(=O)[O-] ZINC000002386473 175162482 /nfs/dbraw/zinc/16/24/82/175162482.db2.gz HURBWIHJHDFCGU-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1ccc2c(c1)CC[C@H](CC(=O)[O-])C2 ZINC000064034241 175209570 /nfs/dbraw/zinc/20/95/70/175209570.db2.gz HFCQYKCGYMWUAH-VIFPVBQESA-N -1 0 220.268 2.275 50 0 BEAARM COc1cccc(-c2ccc(C(=O)[O-])cn2)c1 ZINC000020442004 175234521 /nfs/dbraw/zinc/23/45/21/175234521.db2.gz IMCPEUZGVSCIJS-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(-c2ncccc2C(=O)[O-])c1 ZINC000016123662 175237619 /nfs/dbraw/zinc/23/76/19/175237619.db2.gz ZRYTWHAZDNPNRQ-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(/C=C(\C)C(=O)[O-])c1OC ZINC000014807564 175239323 /nfs/dbraw/zinc/23/93/23/175239323.db2.gz WROJQZGQYAYMLP-BQYQJAHWSA-N -1 0 222.240 2.192 50 0 BEAARM COc1ccccc1CC(=S)C(=O)[O-] ZINC000102314302 175314055 /nfs/dbraw/zinc/31/40/55/175314055.db2.gz CYTWHBLSXGROPM-TWGQIWQCSA-N -1 0 210.254 2.051 50 0 BEAARM COc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000002574428 175318740 /nfs/dbraw/zinc/31/87/40/175318740.db2.gz MEKBVCIQBYRCMJ-NXEZZACHSA-N -1 0 248.278 2.379 50 0 BEAARM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000034090135 175646410 /nfs/dbraw/zinc/64/64/10/175646410.db2.gz CHYRXHBVBVPCLF-ZETCQYMHSA-N -1 0 210.204 2.119 50 0 BEAARM C[C@@H](Oc1cccc(Br)c1)C(=O)[O-] ZINC000000064814 176004555 /nfs/dbraw/zinc/00/45/55/176004555.db2.gz CVTUTWGZPGJAQL-ZCFIWIBFSA-N -1 0 245.072 2.301 50 0 BEAARM C[C@@H](Oc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000007078272 176004873 /nfs/dbraw/zinc/00/48/73/176004873.db2.gz ALYKTAHHRRYHQO-MRVPVSSYSA-N -1 0 236.267 2.252 50 0 BEAARM C[C@@H](Oc1ncccc1C(=O)[O-])C(F)(F)F ZINC000085421425 176006050 /nfs/dbraw/zinc/00/60/50/176006050.db2.gz KHLUBIQGNSAIDB-RXMQYKEDSA-N -1 0 235.161 2.109 50 0 BEAARM C[C@@H](Sc1nc2ccccc2o1)C(=O)[O-] ZINC000000873502 176010514 /nfs/dbraw/zinc/01/05/14/176010514.db2.gz MWCCDEDKPAULRG-ZCFIWIBFSA-N -1 0 223.253 2.393 50 0 BEAARM C[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000098095694 176360135 /nfs/dbraw/zinc/36/01/35/176360135.db2.gz JYCRXMSJGZWACP-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@H](SC(=S)N1CCCCCC1)C(=O)[O-] ZINC000004832262 177026137 /nfs/dbraw/zinc/02/61/37/177026137.db2.gz IYNFJAREUQGZPT-QMMMGPOBSA-N -1 0 247.385 2.354 50 0 BEAARM C[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000035347420 177095381 /nfs/dbraw/zinc/09/53/81/177095381.db2.gz LIABTWRCSCWKGU-JTQLQIEISA-N -1 0 247.294 2.257 50 0 BEAARM C[C@](O)(C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000075866799 177446787 /nfs/dbraw/zinc/44/67/87/177446787.db2.gz BMGHAVURJDEUPE-GFCCVEGCSA-N -1 0 249.291 2.102 50 0 BEAARM Cc1c(CC(=O)[O-])c2ccccc2n1C ZINC000071508609 177580859 /nfs/dbraw/zinc/58/08/59/177580859.db2.gz BABSBBRYDTZWQB-UHFFFAOYSA-N -1 0 203.241 2.114 50 0 BEAARM Cc1c(Cl)cc([C@H](O)C(=O)[O-])cc1Cl ZINC000263624574 177595983 /nfs/dbraw/zinc/59/59/83/177595983.db2.gz RRUOCKRCPOESDE-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM CC(C)(C)[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000005383742 322814968 /nfs/dbraw/zinc/81/49/68/322814968.db2.gz MXATWGSJZOCHSJ-NSHDSACASA-N -1 0 247.294 2.142 50 0 BEAARM O=C([O-])c1cncc(-c2cccc(F)c2F)n1 ZINC000534663947 323159142 /nfs/dbraw/zinc/15/91/42/323159142.db2.gz TXCVKVVBBOMLRO-UHFFFAOYSA-N -1 0 236.177 2.120 50 0 BEAARM COc1ccc(-c2c(C)nn(C)c2C(=O)[O-])cc1 ZINC000084558531 323172268 /nfs/dbraw/zinc/17/22/68/323172268.db2.gz IVNYWTXCGGZXJH-UHFFFAOYSA-N -1 0 246.266 2.102 50 0 BEAARM CC(C)(C)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000130332683 325041773 /nfs/dbraw/zinc/04/17/73/325041773.db2.gz XXQHMKNVFHMFRO-UHFFFAOYSA-N -1 0 248.373 2.103 50 0 BEAARM O=C1Nc2ncccc2Oc2cc(F)cc([O-])c21 ZINC000084493516 488054261 /nfs/dbraw/zinc/05/42/61/488054261.db2.gz XQLSDXOUCXYWJL-UHFFFAOYSA-N -1 0 246.197 2.284 50 0 BEAARM COc1cc(C(=O)[O-])c(Br)cc1C ZINC000001583379 490040934 /nfs/dbraw/zinc/04/09/34/490040934.db2.gz BFPGCWOVXJFKPY-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM O=C([O-])c1cc(Br)ncc1Cl ZINC000077010696 490326740 /nfs/dbraw/zinc/32/67/40/490326740.db2.gz DUOLMMJBAYMNEL-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC[C@@]1(C)C[C@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000155894973 523727404 /nfs/dbraw/zinc/72/74/04/523727404.db2.gz MTVBEZNNVPJZFB-ZANVPECISA-N -1 0 241.331 2.182 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@]1(C)CC(=O)[O-] ZINC000258258780 634609576 /nfs/dbraw/zinc/60/95/76/634609576.db2.gz BITMKUYDJJJZPD-GFCCVEGCSA-N -1 0 243.303 2.251 50 0 BEAARM O=c1oc2cc([O-])c(Br)cc2s1 ZINC000000032648 631288685 /nfs/dbraw/zinc/28/86/85/631288685.db2.gz SCQGQMLODYVREA-UHFFFAOYSA-N -1 0 247.069 2.323 50 0 BEAARM C[C@@H](C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000036160968 640383440 /nfs/dbraw/zinc/38/34/40/640383440.db2.gz FTXKYBBUQHWDKU-MRVPVSSYSA-N -1 0 222.240 2.036 50 0 BEAARM O=C([O-])C(=O)c1ccc2c3c(cccc31)CC2 ZINC000158834933 641652935 /nfs/dbraw/zinc/65/29/35/641652935.db2.gz YPROCWUWRYYCGW-UHFFFAOYSA-N -1 0 226.231 2.206 50 0 BEAARM CCc1cc(C(=O)[O-])c([S@@](=O)CC)s1 ZINC000022015049 643398841 /nfs/dbraw/zinc/39/88/41/643398841.db2.gz ZWRBVDWVNPXOLL-CQSZACIVSA-N -1 0 232.326 2.136 50 0 BEAARM CC(C)(C)C(=O)c1nc(C(=O)[O-])cs1 ZINC000075854898 643698586 /nfs/dbraw/zinc/69/85/86/643698586.db2.gz KVFAXYYUEVCHFA-UHFFFAOYSA-N -1 0 213.258 2.070 50 0 BEAARM O=C([O-])c1cc(-n2cccn2)nc2ccccc21 ZINC000037336545 712570772 /nfs/dbraw/zinc/57/07/72/712570772.db2.gz FKVCCXZRAYMRMV-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM COc1cc(CCCC(=O)[O-])ccc1F ZINC000084477680 1166187851 /nfs/dbraw/zinc/18/78/51/1166187851.db2.gz RZYBVZLYXUGIBH-UHFFFAOYSA-N -1 0 212.220 2.242 50 0 BEAARM C[C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000087925631 1166371410 /nfs/dbraw/zinc/37/14/10/1166371410.db2.gz IHQXMEHPSSMQFH-LURJTMIESA-N -1 0 200.184 2.228 50 0 BEAARM CSC[C@@H](C)C(=O)[N-]Oc1ccc(F)cc1 ZINC000585130675 972167310 /nfs/dbraw/zinc/16/73/10/972167310.db2.gz YONNLXUDSPRVCV-MRVPVSSYSA-N -1 0 243.303 2.235 50 0 BEAARM Nc1ccc(F)c(-c2ccc(C(=O)[O-])o2)c1 ZINC000675046573 960449236 /nfs/dbraw/zinc/44/92/36/960449236.db2.gz HVRFOBPYFUJFQV-UHFFFAOYSA-N -1 0 221.187 2.366 50 0 BEAARM CC(C)C[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034146654 187320833 /nfs/dbraw/zinc/32/08/33/187320833.db2.gz NPIMKSLXCPUXPD-VIFPVBQESA-N -1 0 230.304 2.465 50 0 BEAARM Cc1cc(NC(=O)C2CC2)sc1C(=O)[O-] ZINC000009646661 178124847 /nfs/dbraw/zinc/12/48/47/178124847.db2.gz BSQHGBMJAGEZRL-UHFFFAOYSA-N -1 0 225.269 2.103 50 0 BEAARM Cc1cc([O-])c(C(=O)CCC(C)C)c(=O)o1 ZINC000013437345 178193348 /nfs/dbraw/zinc/19/33/48/178193348.db2.gz AJFJTORMMHWKFW-UHFFFAOYSA-N -1 0 224.256 2.273 50 0 endogenous,in-man BEAARM Cc1cc(OCC(C)C)ccc1S(=O)(=O)[O-] ZINC000004543474 178209591 /nfs/dbraw/zinc/20/95/91/178209591.db2.gz BEMLEJFIJIWZBD-UHFFFAOYSA-N -1 0 244.312 2.277 50 0 BEAARM Cc1cc(OCC(=O)[O-])c2cccc(C)c2n1 ZINC000019229403 178210271 /nfs/dbraw/zinc/21/02/71/178210271.db2.gz CXMXXTAIGYFCOE-UHFFFAOYSA-N -1 0 231.251 2.315 50 0 BEAARM Cc1cc([C@@H](O)C(=O)[O-])c(Cl)cc1Cl ZINC000263624128 178238021 /nfs/dbraw/zinc/23/80/21/178238021.db2.gz NRPKCBPPLIERJH-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc2c(cc1[O-])occ(-c1ccon1)c2=O ZINC000006203330 178277349 /nfs/dbraw/zinc/27/73/49/178277349.db2.gz HRSQEBSHGZQJBV-UHFFFAOYSA-N -1 0 243.218 2.462 50 0 BEAARM Cc1cc2nc(CCC(=O)[O-])[nH]c2cc1C ZINC000004384258 178302501 /nfs/dbraw/zinc/30/25/01/178302501.db2.gz KWHVMRSTWKAEKR-UHFFFAOYSA-N -1 0 218.256 2.197 50 0 BEAARM Cc1cc2oc(=O)c(C=O)c([O-])c2cc1Cl ZINC000044672252 178306935 /nfs/dbraw/zinc/30/69/35/178306935.db2.gz IUGUOVUWPRZUSR-UHFFFAOYSA-N -1 0 238.626 2.273 50 0 BEAARM Cc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1 ZINC000003269637 178335182 /nfs/dbraw/zinc/33/51/82/178335182.db2.gz JLJKSGJPQNPRKV-UHFFFAOYSA-N -1 0 248.307 2.328 50 0 BEAARM Cc1ccc(-c2oncc2C(=O)[O-])s1 ZINC000095883827 178345148 /nfs/dbraw/zinc/34/51/48/178345148.db2.gz IXVOLDGJHQQDBM-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM Cc1ccc(-c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000009488383 178328613 /nfs/dbraw/zinc/32/86/13/178328613.db2.gz GGBHMDLUOCAZBG-UHFFFAOYSA-N -1 0 239.278 2.306 50 0 BEAARM Cc1ccc(C([O-])=CC(=O)C(F)F)s1 ZINC000100497158 178372033 /nfs/dbraw/zinc/37/20/33/178372033.db2.gz MBFKKHKKGSENDK-UHFFFAOYSA-N -1 0 218.224 2.464 50 0 BEAARM CSc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000072373 342672786 /nfs/dbraw/zinc/67/27/86/342672786.db2.gz UBMWDGPGGWBZJN-UHFFFAOYSA-N -1 0 239.296 2.212 50 0 BEAARM O=C([O-])c1ccc(NCc2ccncc2)cc1 ZINC000000528677 342689496 /nfs/dbraw/zinc/68/94/96/342689496.db2.gz VHINPRZMCMMAMA-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1 ZINC000000114173 342674960 /nfs/dbraw/zinc/67/49/60/342674960.db2.gz LESQASCTNMKKPZ-IUCAKERBSA-N -1 0 243.715 2.128 50 0 BEAARM O=C([O-])[C@H]1CS[C@H](c2ccc(Cl)cc2)N1 ZINC000000114169 342675007 /nfs/dbraw/zinc/67/50/07/342675007.db2.gz LESQASCTNMKKPZ-RKDXNWHRSA-N -1 0 243.715 2.128 50 0 biogenic BEAARM CCOc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000000120487 342675319 /nfs/dbraw/zinc/67/53/19/342675319.db2.gz LJMXXNVTJTYKRH-FNORWQNLSA-N -1 0 222.240 2.192 50 0 biogenic BEAARM CCOc1ccc(C(=O)[O-])cc1Cl ZINC000000122896 342675756 /nfs/dbraw/zinc/67/57/56/342675756.db2.gz VGMJYTDQPWANJQ-UHFFFAOYSA-N -1 0 200.621 2.437 50 0 BEAARM Cn1ccnc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000000154851 342677768 /nfs/dbraw/zinc/67/77/68/342677768.db2.gz OCAVFHDYHRSBOH-SNVBAGLBSA-N -1 0 248.307 2.338 50 0 BEAARM O=C([O-])c1cnc(Cl)c(Br)c1 ZINC000000170402 342679144 /nfs/dbraw/zinc/67/91/44/342679144.db2.gz DXEUARPQHJXMII-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC(C)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000198029 342680131 /nfs/dbraw/zinc/68/01/31/342680131.db2.gz DIVQVOIDVFIFAP-LLVKDONJSA-N -1 0 247.294 2.248 50 0 BEAARM C[C@H](C(=O)[O-])n1cc(C=O)c2ccccc21 ZINC000000254486 342681399 /nfs/dbraw/zinc/68/13/99/342681399.db2.gz ZINMANYXDFLPES-MRVPVSSYSA-N -1 0 217.224 2.099 50 0 BEAARM O=C([O-])c1cnc(Br)c(Cl)c1 ZINC000000334404 342683614 /nfs/dbraw/zinc/68/36/14/342683614.db2.gz GWVTXYPCKUNVIZ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC(=O)Oc1cc(C(=O)[O-])c(O)c2ccccc12 ZINC000000336013 342683857 /nfs/dbraw/zinc/68/38/57/342683857.db2.gz NZJOAGSJKPWLBD-UHFFFAOYSA-N -1 0 246.218 2.169 50 0 BEAARM CC(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000000354825 342684544 /nfs/dbraw/zinc/68/45/44/342684544.db2.gz DTQUMXBRQRHDIL-UHFFFAOYSA-N -1 0 221.256 2.369 50 0 BEAARM Nc1ccc2nc(SCC(=O)[O-])sc2c1 ZINC000000367819 342685165 /nfs/dbraw/zinc/68/51/65/342685165.db2.gz VXVTVIBHOKJWBR-UHFFFAOYSA-N -1 0 240.309 2.055 50 0 BEAARM Cc1c(C(=O)[O-])oc2c1[C@H](O)CC(C)(C)C2 ZINC000000532573 342689401 /nfs/dbraw/zinc/68/94/01/342689401.db2.gz LSTANEOPKBKSDR-SSDOTTSWSA-N -1 0 224.256 2.292 50 0 BEAARM Cc1cc(=O)n([O-])c(C2CCCCC2)c1 ZINC000000001145 342669386 /nfs/dbraw/zinc/66/93/86/342669386.db2.gz SCKYRAXSEDYPSA-UHFFFAOYSA-N -1 0 207.273 2.442 50 0 fda BEAARM O=C(c1ccc(O)cc1)c1ccc(O)cc1[O-] ZINC000000037292 342670609 /nfs/dbraw/zinc/67/06/09/342670609.db2.gz OKJFKPFBSPZTAH-UHFFFAOYSA-N -1 0 230.219 2.034 50 0 biogenic,in-vitro BEAARM O=C([O-])c1ccccc1C(=O)Nc1cccnc1 ZINC000000053775 342671743 /nfs/dbraw/zinc/67/17/43/342671743.db2.gz GCFWYVVRTIFOJH-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1c(Cl)sc2nnsc21 ZINC000000967208 342695010 /nfs/dbraw/zinc/69/50/10/342695010.db2.gz SULMCWUDFGQREH-UHFFFAOYSA-N -1 0 220.662 2.104 50 0 BEAARM CC[C@@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000001074955 342696809 /nfs/dbraw/zinc/69/68/09/342696809.db2.gz XZGSYONIZSNCTM-MRVPVSSYSA-N -1 0 221.256 2.369 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000001420807 342700315 /nfs/dbraw/zinc/70/03/15/342700315.db2.gz QZYGREZDLJVVSV-VIFPVBQESA-N -1 0 243.303 2.108 50 0 BEAARM O=C([O-])c1nc2cccc3cccc([nH]1)c32 ZINC000001436206 342700825 /nfs/dbraw/zinc/70/08/25/342700825.db2.gz SSLKCRRRVHOPOI-UHFFFAOYSA-N -1 0 212.208 2.414 50 0 BEAARM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576258 342703668 /nfs/dbraw/zinc/70/36/68/342703668.db2.gz ZIOCIQJXEKFHJO-MRVPVSSYSA-N -1 0 231.292 2.155 50 0 BEAARM O=S(=O)([O-])c1cc(Cl)ccc1Cl ZINC000001648219 342707132 /nfs/dbraw/zinc/70/71/32/342707132.db2.gz LFXZSGVZSSMCMB-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM O=S(=O)([O-])c1ccc2c3c(cccc31)CC2 ZINC000001724287 342711343 /nfs/dbraw/zinc/71/13/43/342711343.db2.gz XXACHQRFXDSJNO-UHFFFAOYSA-N -1 0 234.276 2.185 50 0 BEAARM CCCC[C@@H](CC)COP(=O)([O-])[O-] ZINC000002010969 342714410 /nfs/dbraw/zinc/71/44/10/342714410.db2.gz LJKDOMVGKKPJBH-MRVPVSSYSA-N -1 0 210.210 2.312 50 0 BEAARM C[C@@](O)(C(=O)[O-])c1cccc2ccccc21 ZINC000002045037 342715335 /nfs/dbraw/zinc/71/53/35/342715335.db2.gz GASZMNCYHARHHI-ZDUSSCGKSA-N -1 0 216.236 2.132 50 0 BEAARM O=C([O-])c1cc(Br)ccc1F ZINC000002516783 342722191 /nfs/dbraw/zinc/72/21/91/342722191.db2.gz PEXAZYDITWXYNJ-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)c1ccccc1 ZINC000002803055 342727205 /nfs/dbraw/zinc/72/72/05/342727205.db2.gz DGKMKGNXHZXIKE-SECBINFHSA-N -1 0 206.241 2.370 50 0 BEAARM CC(C)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000006493136 342778562 /nfs/dbraw/zinc/77/85/62/342778562.db2.gz CTKJAGJXHFWLPG-UHFFFAOYSA-N -1 0 204.229 2.385 50 0 BEAARM O=C([O-])c1cc(=O)c2ccc(Cl)cc2[nH]1 ZINC000008660417 342801777 /nfs/dbraw/zinc/80/17/77/342801777.db2.gz UAWVRVFHMOSAPU-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 in-vitro BEAARM CCc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000006773590 342782944 /nfs/dbraw/zinc/78/29/44/342782944.db2.gz VFLMYSWXEOLIOB-UHFFFAOYSA-N -1 0 216.240 2.133 50 0 BEAARM O=C([O-])c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000006953874 342786851 /nfs/dbraw/zinc/78/68/51/342786851.db2.gz TYFICRRCLJYFJU-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CCCn1c2ccccc2nc1CCC(=O)[O-] ZINC000009238103 342810939 /nfs/dbraw/zinc/81/09/39/342810939.db2.gz KGTQNTMASOBOTH-UHFFFAOYSA-N -1 0 232.283 2.464 50 0 BEAARM O=C([O-])c1cnc(-c2ccccc2Cl)nc1 ZINC000008730971 342803886 /nfs/dbraw/zinc/80/38/86/342803886.db2.gz IVAPUCSVKRFGEQ-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1ccc(C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000000170442 178446716 /nfs/dbraw/zinc/44/67/16/178446716.db2.gz IIYIMZHXXGPZGB-UHFFFAOYSA-N -1 0 229.235 2.252 50 0 BEAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000010779182 342838200 /nfs/dbraw/zinc/83/82/00/342838200.db2.gz QAVYNANBVVTTPC-UHFFFAOYSA-N -1 0 221.256 2.432 50 0 BEAARM Cc1cc(C)n(Cc2ccc(C(=O)[O-])s2)n1 ZINC000012357619 342849776 /nfs/dbraw/zinc/84/97/76/342849776.db2.gz ANGWHUYUGGKCKY-UHFFFAOYSA-N -1 0 236.296 2.308 50 0 BEAARM O=C([O-])c1cccc(OCC(F)F)c1 ZINC000012395158 342851019 /nfs/dbraw/zinc/85/10/19/342851019.db2.gz VNUDXYRBOOGWJL-UHFFFAOYSA-N -1 0 202.156 2.029 50 0 BEAARM Cn1c(CCC(=O)[O-])nc2cc(Cl)ccc21 ZINC000012428068 342852228 /nfs/dbraw/zinc/85/22/28/342852228.db2.gz DCKIVTPNGMSVGF-UHFFFAOYSA-N -1 0 238.674 2.244 50 0 BEAARM Cc1ccc(O)c(C(=O)NCc2ccco2)c1 ZINC000013007465 342862721 /nfs/dbraw/zinc/86/27/21/342862721.db2.gz KXGGAFHNNXEXMS-UHFFFAOYSA-N -1 0 231.251 2.224 50 0 BEAARM CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013449753 342867011 /nfs/dbraw/zinc/86/70/11/342867011.db2.gz VDHCFYJUISCAIC-UHFFFAOYSA-N -1 0 247.294 2.464 50 0 BEAARM CCCC(=O)N(C)c1c(F)cccc1C(=O)[O-] ZINC000016622918 342913511 /nfs/dbraw/zinc/91/35/11/342913511.db2.gz FQRZWZGLHMPVTQ-UHFFFAOYSA-N -1 0 239.246 2.287 50 0 BEAARM Cc1c2cccc(C)c2n(C)c1C(=O)[O-] ZINC000019093152 342941725 /nfs/dbraw/zinc/94/17/25/342941725.db2.gz QDDROSFAMVNTTI-UHFFFAOYSA-N -1 0 203.241 2.493 50 0 BEAARM O=C([O-])c1cccc(COC[C@H]2CCCO2)c1 ZINC000019507333 342950035 /nfs/dbraw/zinc/95/00/35/342950035.db2.gz FRNXPGZQZKFEQO-GFCCVEGCSA-N -1 0 236.267 2.080 50 0 BEAARM Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000019979936 342965739 /nfs/dbraw/zinc/96/57/39/342965739.db2.gz XOKOKKYICGXCKD-NSHDSACASA-N -1 0 248.282 2.076 50 0 BEAARM O=C([O-])c1ccc(OCC(F)(F)F)c(F)c1 ZINC000020080360 342968191 /nfs/dbraw/zinc/96/81/91/342968191.db2.gz ZEXOSRAYUNYIAV-UHFFFAOYSA-N -1 0 238.136 2.465 50 0 BEAARM O=C([O-])[C@H]1COc2ccc3ccccc3c2C1 ZINC000020284413 342980312 /nfs/dbraw/zinc/98/03/12/342980312.db2.gz WOGFRQYQWSZVJK-SNVBAGLBSA-N -1 0 228.247 2.476 50 0 BEAARM O=C([O-])c1cccc(OCC2CCOCC2)c1 ZINC000020357727 342983187 /nfs/dbraw/zinc/98/31/87/342983187.db2.gz WDTMOJKKCMKISN-UHFFFAOYSA-N -1 0 236.267 2.190 50 0 BEAARM O=C([O-])c1conc1-c1ccc(F)cc1 ZINC000020440856 342985172 /nfs/dbraw/zinc/98/51/72/342985172.db2.gz XXDHPFKMYSLBDJ-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1cccnc1OC1CCCC1 ZINC000022171929 343043245 /nfs/dbraw/zinc/04/32/45/343043245.db2.gz PDIXGGMZPGOAAL-UHFFFAOYSA-N -1 0 207.229 2.101 50 0 BEAARM O=C([O-])c1n[nH]c2ccc(OC(F)(F)F)cc21 ZINC000021984886 343031991 /nfs/dbraw/zinc/03/19/91/343031991.db2.gz DJKYXGHMEGLNLG-UHFFFAOYSA-N -1 0 246.144 2.160 50 0 BEAARM C[C@H](C(=O)[O-])c1ccc(CC(C)(C)O)cc1 ZINC000022060709 343038004 /nfs/dbraw/zinc/03/80/04/343038004.db2.gz UJHKVYPPCJBOSG-VIFPVBQESA-N -1 0 222.284 2.188 50 0 world BEAARM Cc1ccc(C)n1-c1nc(CC(=O)[O-])cs1 ZINC000022223596 343045019 /nfs/dbraw/zinc/04/50/19/343045019.db2.gz NKTLWAFEJJIOJB-UHFFFAOYSA-N -1 0 236.296 2.178 50 0 BEAARM CO[N-]C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000042697031 362018521 /nfs/dbraw/zinc/01/85/21/362018521.db2.gz BPPNUJUWIAGCJP-UHFFFAOYSA-N -1 0 239.702 2.439 50 0 BEAARM CCCn1cc(C(=O)[O-])c(=O)c2cc(F)ccc21 ZINC000026508014 343106170 /nfs/dbraw/zinc/10/61/70/343106170.db2.gz AXESECUUDQNNCY-UHFFFAOYSA-N -1 0 249.241 2.249 50 0 BEAARM Cc1cc(C)c(NC(=O)/C=C/C(=O)[O-])c(C)c1 ZINC000000097234 187244417 /nfs/dbraw/zinc/24/44/17/187244417.db2.gz LIBBIQNPOBBNDV-SNAWJCMRSA-N -1 0 233.267 2.191 50 0 BEAARM CCc1ccc(OCn2ccc(C(=O)[O-])n2)cc1 ZINC000002535566 187245935 /nfs/dbraw/zinc/24/59/35/187245935.db2.gz QRUNMMRCPOIZQF-UHFFFAOYSA-N -1 0 246.266 2.180 50 0 BEAARM O=C([O-])c1ccccc1[C@@H](O)c1ccccc1 ZINC000003321973 187246176 /nfs/dbraw/zinc/24/61/76/187246176.db2.gz QILGRFFFTBOYJX-ZDUSSCGKSA-N -1 0 228.247 2.467 50 0 BEAARM CC1(C)S[C@H](c2ccsc2)N[C@@H]1C(=O)[O-] ZINC000005304873 187247771 /nfs/dbraw/zinc/24/77/71/187247771.db2.gz QOMMCXODIHCENQ-HTQZYQBOSA-N -1 0 243.353 2.315 50 0 BEAARM CC(C)(C)c1cccc(OCC(=O)[O-])c1 ZINC000001995126 187245382 /nfs/dbraw/zinc/24/53/82/187245382.db2.gz TZCJVGQCSABBGD-UHFFFAOYSA-N -1 0 208.257 2.448 50 0 BEAARM O=C([O-])c1nc(Br)sc1Cl ZINC000031772043 343224095 /nfs/dbraw/zinc/22/40/95/343224095.db2.gz YPVLHDUANVJQBW-UHFFFAOYSA-N -1 0 242.481 2.257 50 0 BEAARM CC(C)c1cc(C(=O)[O-])nn1C(C)(C)C ZINC000032625179 343238388 /nfs/dbraw/zinc/23/83/88/343238388.db2.gz ICNOHADSZLWBAY-UHFFFAOYSA-N -1 0 210.277 2.460 50 0 BEAARM Cc1ccc(Cl)cc1NC(=O)CC(=O)[O-] ZINC000009355879 187249940 /nfs/dbraw/zinc/24/99/40/187249940.db2.gz TUXXXTLXVKEGJC-UHFFFAOYSA-N -1 0 227.647 2.062 50 0 BEAARM Cc1cn(-c2ccc(Cl)cc2)[n-]c1=O ZINC000034535206 343274356 /nfs/dbraw/zinc/27/43/56/343274356.db2.gz WKMIHRILDQGEFJ-UHFFFAOYSA-N -1 0 208.648 2.127 50 0 BEAARM CC(C)Cc1[nH]nc(C(=O)[O-])c1Br ZINC000034543195 343274737 /nfs/dbraw/zinc/27/47/37/343274737.db2.gz MKXAFJVHUHMBSO-UHFFFAOYSA-N -1 0 247.092 2.069 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1nc2ccccc2s1 ZINC000034926280 343280349 /nfs/dbraw/zinc/28/03/49/343280349.db2.gz QENQUKIOSLLIGG-NKWVEPMBSA-N -1 0 219.265 2.484 50 0 BEAARM CCOc1c(F)ccc(/C=C/C(=O)[O-])c1F ZINC000038529961 343376314 /nfs/dbraw/zinc/37/63/14/343376314.db2.gz KEKXZPKFJIPTDE-GQCTYLIASA-N -1 0 228.194 2.461 50 0 BEAARM CN(C)c1ccc(Br)c(C(=O)[O-])c1 ZINC000065337058 187273960 /nfs/dbraw/zinc/27/39/60/187273960.db2.gz HICSXUAAJBEMKP-UHFFFAOYSA-N -1 0 244.088 2.213 50 0 BEAARM CCCCCOCC(=O)[N-]Oc1ccccc1 ZINC000585142410 344177073 /nfs/dbraw/zinc/17/70/73/344177073.db2.gz WPMNVBGTQQGHLS-UHFFFAOYSA-N -1 0 237.299 2.303 50 0 BEAARM O=C([O-])c1cc(=O)sc2[nH]c3ccccc3c21 ZINC000033286939 344155164 /nfs/dbraw/zinc/15/51/64/344155164.db2.gz WCPCTOJXFVDORD-UHFFFAOYSA-N -1 0 245.259 2.441 50 0 BEAARM CC(C)=CC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000097018099 187289800 /nfs/dbraw/zinc/28/98/00/187289800.db2.gz BZDXFFMZCMATPW-UHFFFAOYSA-N -1 0 239.315 2.199 50 0 BEAARM CC(C)(C)c1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000011991077 345100989 /nfs/dbraw/zinc/10/09/89/345100989.db2.gz OZRGPCNNNSNGOE-UHFFFAOYSA-N -1 0 244.298 2.206 50 0 BEAARM O=C([O-])c1ccc(F)cc1OCC(F)F ZINC000236458375 346241835 /nfs/dbraw/zinc/24/18/35/346241835.db2.gz WGLOUIABNFSWFU-UHFFFAOYSA-N -1 0 220.146 2.168 50 0 BEAARM C/C=C(\C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000221724583 187319826 /nfs/dbraw/zinc/31/98/26/187319826.db2.gz FDEGYBOPNNPXDF-XCVCLJGOSA-N -1 0 239.315 2.246 50 0 BEAARM Cc1cccc(CC(=O)[O-])c1Br ZINC000084506920 179052101 /nfs/dbraw/zinc/05/21/01/179052101.db2.gz JZMWDWZVHXNEEF-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM O=C1[N-]C(=O)[C@H](Nc2ccc(Cl)cc2)S1 ZINC000001091486 346434840 /nfs/dbraw/zinc/43/48/40/346434840.db2.gz DQBXBOUJTSPXCZ-MRVPVSSYSA-N -1 0 242.687 2.061 50 0 BEAARM C/C=C/C=C/C(=O)Nc1ccccc1C(=O)[O-] ZINC000003158762 346668921 /nfs/dbraw/zinc/66/89/21/346668921.db2.gz IGQZJHOQJUCQRT-DSXPNFDZSA-N -1 0 231.251 2.456 50 0 BEAARM Cc1cccc2nc(C(F)(F)F)c(C(=O)[O-])n21 ZINC000004025230 179229661 /nfs/dbraw/zinc/22/96/61/179229661.db2.gz WKDOLBPKZNKPGQ-UHFFFAOYSA-N -1 0 244.172 2.360 50 0 BEAARM Cc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000021951219 179247360 /nfs/dbraw/zinc/24/73/60/179247360.db2.gz CQNZFMNCMRSHAK-GFCCVEGCSA-N -1 0 247.294 2.074 50 0 BEAARM Cc1ccccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000000463043 179299408 /nfs/dbraw/zinc/29/94/08/179299408.db2.gz KAVGMQXZNRZCJY-SECBINFHSA-N -1 0 235.283 2.434 50 0 BEAARM O=C([O-])c1cnc(-c2ccc(F)nc2)s1 ZINC000669385178 538019743 /nfs/dbraw/zinc/01/97/43/538019743.db2.gz HOOIUBRYUBBREU-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM Cc1c(C(=O)[O-])n[nH]c1-c1cccs1 ZINC000006300062 190976561 /nfs/dbraw/zinc/97/65/61/190976561.db2.gz RZFZFQSJPCUVII-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM Cc1ncc(C(=O)[O-])c(Cl)c1Cl ZINC000079046821 180134868 /nfs/dbraw/zinc/13/48/68/180134868.db2.gz CUAQUWGBUMCHMH-UHFFFAOYSA-N -1 0 206.028 2.395 50 0 BEAARM Cn1c2ncc(C(=O)[O-])cc2nc1C1CCCC1 ZINC000040449322 350364974 /nfs/dbraw/zinc/36/49/74/350364974.db2.gz SUXSSTDPAQYBIG-UHFFFAOYSA-N -1 0 245.282 2.324 50 0 BEAARM Cc1nn(CC(C)C)c(Cl)c1C(=O)[O-] ZINC000003426713 180386338 /nfs/dbraw/zinc/38/63/38/180386338.db2.gz UIJRPRUMUPALIN-UHFFFAOYSA-N -1 0 216.668 2.199 50 0 BEAARM Cc1n[n-]sc1=NC(=O)OCC(C)(C)C ZINC000001392284 180458353 /nfs/dbraw/zinc/45/83/53/180458353.db2.gz JFNRLYRLHGMVHS-UHFFFAOYSA-N -1 0 229.305 2.441 50 0 BEAARM Cc1noc2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000008264138 180502193 /nfs/dbraw/zinc/50/21/93/180502193.db2.gz HAAOEAXJMWXUTF-UHFFFAOYSA-N -1 0 218.212 2.107 50 0 BEAARM Cc1noc2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000008155947 180501432 /nfs/dbraw/zinc/50/14/32/180501432.db2.gz CDSYAVVUQVMVKQ-UHFFFAOYSA-N -1 0 244.206 2.489 50 0 BEAARM Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000000128558 180658911 /nfs/dbraw/zinc/65/89/11/180658911.db2.gz GOLAEMFBWAIGRX-UHFFFAOYSA-N -1 0 240.259 2.070 50 0 BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000725272239 538104266 /nfs/dbraw/zinc/10/42/66/538104266.db2.gz OAXGCGOZXKNHNV-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM Cc1cc(Cl)ccc1NC(=O)CCC(=O)[O-] ZINC000000145099 187924473 /nfs/dbraw/zinc/92/44/73/187924473.db2.gz CNNZRPLACXFIHZ-UHFFFAOYSA-N -1 0 241.674 2.452 50 0 BEAARM CC(C)(O)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000071777513 187940889 /nfs/dbraw/zinc/94/08/89/187940889.db2.gz UOXNQFGOANBSCK-VIFPVBQESA-N -1 0 228.675 2.279 50 0 BEAARM O=C([O-])c1nc(Br)ccc1Cl ZINC000066323224 187958775 /nfs/dbraw/zinc/95/87/75/187958775.db2.gz NVXKODKSZLGOCI-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CC(C)CO[C@@H](C(=O)[O-])c1ccccc1 ZINC000019435403 188002686 /nfs/dbraw/zinc/00/26/86/188002686.db2.gz SMIQLHGQFUBFOC-LLVKDONJSA-N -1 0 208.257 2.485 50 0 BEAARM O=C([O-])c1n[nH]c2c1cccc2C(F)(F)F ZINC000026894327 188007258 /nfs/dbraw/zinc/00/72/58/188007258.db2.gz AAQQEWUHMVGQQX-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM O=C1[N-]C(=O)[C@H](Cc2cc3ccccc3o2)S1 ZINC000004110183 353124147 /nfs/dbraw/zinc/12/41/47/353124147.db2.gz ZWYUQEXIJUOOOQ-JTQLQIEISA-N -1 0 247.275 2.327 50 0 BEAARM O=C([O-])c1nc(-c2ccncc2)n2ccccc12 ZINC000020222665 188005213 /nfs/dbraw/zinc/00/52/13/188005213.db2.gz JGDRURICQWOYCH-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM CC(=O)S[C@@H](CC(=O)[O-])c1ccccc1 ZINC000004725223 188051671 /nfs/dbraw/zinc/05/16/71/188051671.db2.gz PGQPCPFNHSITJO-JTQLQIEISA-N -1 0 224.281 2.482 50 0 BEAARM CC(=O)c1cc(Br)ccc1O ZINC000000152790 188272814 /nfs/dbraw/zinc/27/28/14/188272814.db2.gz HQCCNFFIOWYINW-UHFFFAOYSA-N -1 0 215.046 2.357 50 0 BEAARM COc1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000001406914 188273336 /nfs/dbraw/zinc/27/33/36/188273336.db2.gz IKMRIOWUVVRGDM-UHFFFAOYSA-N -1 0 249.291 2.441 50 0 BEAARM CC(C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002382540 188275157 /nfs/dbraw/zinc/27/51/57/188275157.db2.gz MXPBQQXWXZWBMK-LLVKDONJSA-N -1 0 231.292 2.010 50 0 BEAARM CC(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000035305854 188284684 /nfs/dbraw/zinc/28/46/84/188284684.db2.gz LWCRVNLCHGGQKW-UHFFFAOYSA-N -1 0 225.219 2.118 50 0 BEAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000039276361 188290843 /nfs/dbraw/zinc/29/08/43/188290843.db2.gz LURNCVQHNOOYJK-WCQYABFASA-N -1 0 247.294 2.069 50 0 BEAARM O=C([O-])c1c(F)ccc(F)c1Br ZINC000040571919 188293047 /nfs/dbraw/zinc/29/30/47/188293047.db2.gz ZLBFRHCWALNQIJ-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM CC(C)(C)OC(=O)N[C@H](CC1CCC1)C(=O)[O-] ZINC000095707281 188320563 /nfs/dbraw/zinc/32/05/63/188320563.db2.gz CXKVEJHPQAZLCY-SECBINFHSA-N -1 0 243.303 2.155 50 0 BEAARM COc1ccc(CCCCC(=O)[O-])cc1O ZINC000001702050 188335184 /nfs/dbraw/zinc/33/51/84/188335184.db2.gz AMHPDFLLJHZZSL-UHFFFAOYSA-N -1 0 224.256 2.198 50 0 BEAARM CC(C)(C)c1ccc(S(=O)(=O)[O-])cc1 ZINC000001565641 363318732 /nfs/dbraw/zinc/31/87/32/363318732.db2.gz LZQMCUIWYRQLOG-UHFFFAOYSA-N -1 0 214.286 2.231 50 0 in-vivo BEAARM CCCCC[C@H](NC(=O)C=C(C)C)C(=O)[O-] ZINC000097036356 168744787 /nfs/dbraw/zinc/74/47/87/168744787.db2.gz CYXTZTPPBDWNHK-JTQLQIEISA-N -1 0 227.304 2.102 50 0 BEAARM CCc1onc(-c2ccc(F)nc2)c1C(=O)[O-] ZINC000675057459 538479854 /nfs/dbraw/zinc/47/98/54/538479854.db2.gz GRIWJVGSCLPFMB-UHFFFAOYSA-N -1 0 236.202 2.136 50 0 BEAARM O=C([O-])c1c(-c2nccs2)noc1C1CC1 ZINC000675057466 538479970 /nfs/dbraw/zinc/47/99/70/538479970.db2.gz GSLICMHDESWKBD-UHFFFAOYSA-N -1 0 236.252 2.374 50 0 BEAARM CCc1onc(-c2nccs2)c1C(=O)[O-] ZINC000675057906 538480604 /nfs/dbraw/zinc/48/06/04/538480604.db2.gz QXLSIRYSUKYPKW-UHFFFAOYSA-N -1 0 224.241 2.059 50 0 BEAARM Cc1onc(-c2cnc(Cl)s2)c1C(=O)[O-] ZINC000675058124 538480976 /nfs/dbraw/zinc/48/09/76/538480976.db2.gz WLAIUXCIBQMCOY-UHFFFAOYSA-N -1 0 244.659 2.458 50 0 BEAARM Cc1ccc(-c2cnc(C(=O)[O-])nc2)s1 ZINC000675070389 538501003 /nfs/dbraw/zinc/50/10/03/538501003.db2.gz WRCGPEPUAIWFRE-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM C[C@H](NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC000006249751 357220042 /nfs/dbraw/zinc/22/00/42/357220042.db2.gz FHYJUEYRHAKUMQ-JTQLQIEISA-N -1 0 235.283 2.119 50 0 BEAARM Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000038856858 491110249 /nfs/dbraw/zinc/11/02/49/491110249.db2.gz MQWFRBVVABTUKS-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM CCCC[C@H](CC)C(=O)N[C@H](C)CC(=O)[O-] ZINC000037457879 364041971 /nfs/dbraw/zinc/04/19/71/364041971.db2.gz SGJOUOAHSOFHTD-ZJUUUORDSA-N -1 0 229.320 2.182 50 0 BEAARM COc1ccc([S@@](=O)[O-])c2ccccc12 ZINC000196864842 541514589 /nfs/dbraw/zinc/51/45/89/541514589.db2.gz DJYZEJZJLGJTKX-UHFFFAOYSA-N -1 0 222.265 2.429 50 0 BEAARM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000114281282 368387277 /nfs/dbraw/zinc/38/72/77/368387277.db2.gz QFXNKBXOFLOXRG-SSDOTTSWSA-N -1 0 216.277 2.075 50 0 BEAARM O=C([O-])c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC000212492869 368401718 /nfs/dbraw/zinc/40/17/18/368401718.db2.gz XJOIZBSJIYWZRD-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM O=S(=O)([N-]c1ccc(F)cc1)C(F)(F)F ZINC000003184422 371906168 /nfs/dbraw/zinc/90/61/68/371906168.db2.gz IMGVTOLHEJJHLI-UHFFFAOYSA-N -1 0 243.181 2.087 50 0 BEAARM CCCCCCC[C@@H]1OC(=O)C[C@H]1C(=O)[O-] ZINC000008402553 372701775 /nfs/dbraw/zinc/70/17/75/372701775.db2.gz GLJAEVIGKCSCRV-ZJUUUORDSA-N -1 0 228.288 2.363 50 0 BEAARM Nc1c2nc3ccccc3nc2sc1C(=O)[O-] ZINC000039124073 372877338 /nfs/dbraw/zinc/87/73/38/372877338.db2.gz ZTPZWEPWKXMQDI-UHFFFAOYSA-N -1 0 245.263 2.125 50 0 BEAARM CCn1c(C(=O)[O-])cc2cc(F)ccc21 ZINC000071614678 374280407 /nfs/dbraw/zinc/28/04/07/374280407.db2.gz CUTGMYMVYZAKSP-UHFFFAOYSA-N -1 0 207.204 2.499 50 0 BEAARM O=C([O-])/C=C/c1coc2cc(F)ccc2c1=O ZINC000000546346 182412888 /nfs/dbraw/zinc/41/28/88/182412888.db2.gz RIALBBDQHHCQAJ-DAFODLJHSA-N -1 0 234.182 2.030 50 0 BEAARM O=C([O-])/C=C/c1cc(F)c(F)c(F)c1 ZINC000002575055 182412071 /nfs/dbraw/zinc/41/20/71/182412071.db2.gz PHIWFMZBVZFEQJ-OWOJBTEDSA-N -1 0 202.131 2.202 50 0 BEAARM O=C([O-])CCC(=O)Nc1cccc2cccnc21 ZINC000000186351 182433570 /nfs/dbraw/zinc/43/35/70/182433570.db2.gz JZXREPGLYAITDP-UHFFFAOYSA-N -1 0 244.250 2.038 50 0 biogenic BEAARM O=C([O-])CCC(=O)c1cccc(Cl)c1 ZINC000002378667 182434631 /nfs/dbraw/zinc/43/46/31/182434631.db2.gz QRPFBMZLGJGHGD-UHFFFAOYSA-N -1 0 212.632 2.388 50 0 BEAARM O=C([O-])CCC(=O)c1ccc(F)cc1F ZINC000002512396 182435014 /nfs/dbraw/zinc/43/50/14/182435014.db2.gz OKYUHFSCTFNDFB-UHFFFAOYSA-N -1 0 214.167 2.012 50 0 in-vitro BEAARM O=C([O-])CO[C@H]1CCCC[C@H]1c1ccco1 ZINC000008782693 182470006 /nfs/dbraw/zinc/47/00/06/182470006.db2.gz YRIFQKJPPZNCIK-ONGXEEELSA-N -1 0 224.256 2.407 50 0 BEAARM O=C([O-])C[C@@H]1CNc2ccccc2S1 ZINC000032627191 182480757 /nfs/dbraw/zinc/48/07/57/182480757.db2.gz WHXREQRBHITPQZ-SSDOTTSWSA-N -1 0 209.270 2.048 50 0 BEAARM O=C([O-])Cc1ccccc1C(F)(F)F ZINC000000120084 182492384 /nfs/dbraw/zinc/49/23/84/182492384.db2.gz TYOCDHCKTWANIR-UHFFFAOYSA-N -1 0 204.147 2.333 50 0 BEAARM O=C([O-])[C@@H]1[C@H]2C=C3CCc4cccc(c43)[C@H]21 ZINC000001319094 182523780 /nfs/dbraw/zinc/52/37/80/182523780.db2.gz SFWSQHBBVROHCX-CYZMBNFOSA-N -1 0 212.248 2.444 50 0 BEAARM O=C([O-])[C@H]1CCC[C@H]1Nc1ccccc1 ZINC000083985834 182537040 /nfs/dbraw/zinc/53/70/40/182537040.db2.gz CQPIDJWURGPHPG-WDEREUQCSA-N -1 0 205.257 2.352 50 0 BEAARM O=C([O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000004206776 182554903 /nfs/dbraw/zinc/55/49/03/182554903.db2.gz YRBNNMVMXYLCSW-UHFFFAOYSA-N -1 0 228.631 2.200 50 0 BEAARM O=C([O-])c1cc(O)ccc1-c1ccc(O)cc1 ZINC000003896931 182557143 /nfs/dbraw/zinc/55/71/43/182557143.db2.gz BBGRLYLKUDNCGG-UHFFFAOYSA-N -1 0 230.219 2.463 50 0 BEAARM O=C([O-])c1ccc(COC(F)(F)F)cc1 ZINC000096102632 182566038 /nfs/dbraw/zinc/56/60/38/182566038.db2.gz CTKIRYQDRWETHH-UHFFFAOYSA-N -1 0 220.146 2.421 50 0 BEAARM O=C([O-])c1cccc(COC2CCOCC2)c1 ZINC000040991534 182576412 /nfs/dbraw/zinc/57/64/12/182576412.db2.gz CVYRPZIMVUWYKN-UHFFFAOYSA-N -1 0 236.267 2.080 50 0 BEAARM O=C([O-])c1cccc(C(=O)C(F)(F)F)c1 ZINC000039055764 182576663 /nfs/dbraw/zinc/57/66/63/182576663.db2.gz UQADNFKCBLPCTM-UHFFFAOYSA-N -1 0 218.130 2.130 50 0 BEAARM O=C([O-])c1cc2ccc3cccnc3c2[nH]1 ZINC000000190709 182560043 /nfs/dbraw/zinc/56/00/43/182560043.db2.gz NKRJTXAQMCUSEC-UHFFFAOYSA-N -1 0 212.208 2.414 50 0 BEAARM O=C([O-])c1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000033559314 182562506 /nfs/dbraw/zinc/56/25/06/182562506.db2.gz PXRHITJSUGPZAT-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM O=C([O-])c1cccnc1OC1CCCCC1 ZINC000019262328 182583127 /nfs/dbraw/zinc/58/31/27/182583127.db2.gz DTAUTMCCLAWIDK-UHFFFAOYSA-N -1 0 221.256 2.491 50 0 BEAARM O=C([O-])c1cnc(C(F)(F)F)nc1C1CC1 ZINC000008699863 182588080 /nfs/dbraw/zinc/58/80/80/182588080.db2.gz ZESNFMDGMALERE-UHFFFAOYSA-N -1 0 232.161 2.071 50 0 BEAARM O=C([O-])c1cnc(C2(c3ccccc3)CC2)nc1 ZINC000062782295 182588086 /nfs/dbraw/zinc/58/80/86/182588086.db2.gz MKHUJAAHQUICMW-UHFFFAOYSA-N -1 0 240.262 2.255 50 0 BEAARM O=C([O-])c1cnc(Cl)cc1Br ZINC000149707979 182588937 /nfs/dbraw/zinc/58/89/37/182588937.db2.gz FMQKQSCHFALFKI-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])C1(c2cccc(F)c2)CCC(=O)CC1 ZINC000084533730 182723781 /nfs/dbraw/zinc/72/37/81/182723781.db2.gz WJOVDFRUNBGQSX-UHFFFAOYSA-N -1 0 236.242 2.291 50 0 BEAARM O=C(C1=C([O-])c2ccccc2C1)C(F)(F)F ZINC000100085618 182845415 /nfs/dbraw/zinc/84/54/15/182845415.db2.gz PNRJZXFAWRYLHE-QMMMGPOBSA-N -1 0 228.169 2.173 50 0 BEAARM O=c1[nH]c2ccc(F)cc2c([O-])c1Cl ZINC000006493921 182974869 /nfs/dbraw/zinc/97/48/69/182974869.db2.gz YNZVXCDHIWKQTR-UHFFFAOYSA-N -1 0 213.595 2.026 50 0 BEAARM S=c1[n-]nc2ccc(-c3ccccc3)nn21 ZINC000022591358 183316590 /nfs/dbraw/zinc/31/65/90/183316590.db2.gz IOHSGVXOSOMTFG-UHFFFAOYSA-N -1 0 228.280 2.080 50 0 BEAARM CCCOc1ccc(C(=O)[O-])cc1OC ZINC000003220769 169317074 /nfs/dbraw/zinc/31/70/74/169317074.db2.gz PYAZCFCEURLPSU-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CCCOc1ccc2c(c1)OC[C@@H](C(=O)[O-])C2 ZINC000020281624 169323259 /nfs/dbraw/zinc/32/32/59/169323259.db2.gz HTQUFYWZAANEMW-JTQLQIEISA-N -1 0 236.267 2.111 50 0 BEAARM CCC[C@@H](C)C1C(=O)N(CC)C(=S)N=C1[O-] ZINC000100401858 169374831 /nfs/dbraw/zinc/37/48/31/169374831.db2.gz OSJXXVXURJMXTC-SSDOTTSWSA-N -1 0 242.344 2.161 50 0 BEAARM CCC[C@@](C)(NC(=O)/C=C\C(C)(C)C)C(=O)[O-] ZINC000221909116 169453780 /nfs/dbraw/zinc/45/37/80/169453780.db2.gz AIXZFYVWZLZFTF-FNOHHLHBSA-N -1 0 241.331 2.348 50 0 BEAARM O=C([O-])C1=Cc2cc(Cl)ccc2OC1 ZINC000000074589 383825224 /nfs/dbraw/zinc/82/52/24/383825224.db2.gz ZRCGKWSNRRTAJY-UHFFFAOYSA-N -1 0 210.616 2.200 50 0 BEAARM O=C([O-])CSC(=S)c1ccccc1 ZINC000000096972 383826871 /nfs/dbraw/zinc/82/68/71/383826871.db2.gz XBEIANFIOZTEDE-UHFFFAOYSA-N -1 0 212.295 2.180 50 0 BEAARM O=C([O-])CCc1ccc(F)cc1Cl ZINC000035688536 383866670 /nfs/dbraw/zinc/86/66/70/383866670.db2.gz CWLAMJYAQMNGPA-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM Cc1nnc(Cc2ccc(C(=O)[O-])cc2)s1 ZINC000000453718 383869636 /nfs/dbraw/zinc/86/96/36/383869636.db2.gz SWWWGXKBQRUWTD-UHFFFAOYSA-N -1 0 234.280 2.136 50 0 BEAARM CCc1cc(Br)cc(C(=O)[O-])c1N ZINC000087972175 383874903 /nfs/dbraw/zinc/87/49/03/383874903.db2.gz JHHRXLLPQQOJJW-UHFFFAOYSA-N -1 0 244.088 2.292 50 0 BEAARM O=C([O-])CCC(=O)c1c[nH]c2ccccc12 ZINC000000142376 383832316 /nfs/dbraw/zinc/83/23/16/383832316.db2.gz NLUOPJQCFYTMGC-UHFFFAOYSA-N -1 0 217.224 2.215 50 0 BEAARM CN(C)c1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000036203151 383887015 /nfs/dbraw/zinc/88/70/15/383887015.db2.gz DVNXKZVNVLNILY-UHFFFAOYSA-N -1 0 235.283 2.190 50 0 BEAARM Cc1cc(C)c2oc(C(=O)[O-])cc(=O)c2c1 ZINC000002573974 383977873 /nfs/dbraw/zinc/97/78/73/383977873.db2.gz PQUJCDXKEIHDCF-UHFFFAOYSA-N -1 0 218.208 2.108 50 0 BEAARM 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384050432 /nfs/dbraw/zinc/05/04/32/384050432.db2.gz BCOINUORALKLTA-UHFFFAOYSA-N -1 0 246.218 2.369 50 0 BEAARM Cc1nc(-c2ccco2)sc1C(=O)[O-] ZINC000004294444 384052885 /nfs/dbraw/zinc/05/28/85/384052885.db2.gz DMIJUNDFNWUZNL-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM O=C([O-])c1ccccc1C(=O)C(F)(F)F ZINC000039055766 384101226 /nfs/dbraw/zinc/10/12/26/384101226.db2.gz GEHWIGQIDDOODZ-UHFFFAOYSA-N -1 0 218.130 2.130 50 0 BEAARM O=C([O-])Cc1ccc(OC(F)(F)F)cc1F ZINC000091252019 384107994 /nfs/dbraw/zinc/10/79/94/384107994.db2.gz SCGLNHLUACANGU-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])c1ccc(F)cc1OC(F)(F)F ZINC000091252017 384109099 /nfs/dbraw/zinc/10/90/99/384109099.db2.gz GSEJXXUTVPFRRV-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM O=C([O-])c1ccc(OC(F)(F)F)cc1F ZINC000091252014 384110184 /nfs/dbraw/zinc/11/01/84/384110184.db2.gz TUXSSQNLBPWREW-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM COc1cc(C(=O)[O-])ccc1C(F)(F)F ZINC000091252099 384112934 /nfs/dbraw/zinc/11/29/34/384112934.db2.gz 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229.235 2.035 50 0 BEAARM CC(C)n1cc(C(=O)[O-])c2ccccc2c1=O ZINC000072220577 384199867 /nfs/dbraw/zinc/19/98/67/384199867.db2.gz DOZLWQFNBMOKCY-UHFFFAOYSA-N -1 0 231.251 2.281 50 0 BEAARM O=C([O-])c1cc2nc[nH]c2c(Br)c1 ZINC000073633889 384258866 /nfs/dbraw/zinc/25/88/66/384258866.db2.gz NGGYCSILUCEYDR-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM CCO[C@@H]1CCCC[C@H]1N=c1nc(C)[n-]s1 ZINC000408519709 384276458 /nfs/dbraw/zinc/27/64/58/384276458.db2.gz SSLOFQVGWDUZFS-NXEZZACHSA-N -1 0 241.360 2.028 50 0 BEAARM CCC[C@H](C)C1C(=O)N(CC)C(=S)N=C1[O-] ZINC000100401862 384320376 /nfs/dbraw/zinc/32/03/76/384320376.db2.gz OSJXXVXURJMXTC-ZETCQYMHSA-N -1 0 242.344 2.161 50 0 BEAARM CC(C)CC1(C(=O)N[C@H](C)CC(=O)[O-])CCC1 ZINC000097019324 384282930 /nfs/dbraw/zinc/28/29/30/384282930.db2.gz OQOJRNBIYFIJCA-SNVBAGLBSA-N -1 0 241.331 2.182 50 0 BEAARM O=C([O-])CCn1ccc2ccc(F)cc21 ZINC000011731177 384295408 /nfs/dbraw/zinc/29/54/08/384295408.db2.gz YRECVZUOVYPVTM-UHFFFAOYSA-N -1 0 207.204 2.255 50 0 BEAARM O=C([O-])Cc1ccc(C(F)(F)F)cc1F ZINC000012954094 384343576 /nfs/dbraw/zinc/34/35/76/384343576.db2.gz LUIOBGWYVHPKRC-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM Cc1cc(C(=O)[O-])c2nc3n(c2n1)CCCCC3 ZINC000012505842 384323719 /nfs/dbraw/zinc/32/37/19/384323719.db2.gz HJBFBFJEIWRNSU-UHFFFAOYSA-N -1 0 245.282 2.164 50 0 BEAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCC2)c(C)c1 ZINC000164886501 384325186 /nfs/dbraw/zinc/32/51/86/384325186.db2.gz AJMCVOQXBYLIDH-UHFFFAOYSA-N -1 0 247.294 2.041 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000095743516 384392876 /nfs/dbraw/zinc/39/28/76/384392876.db2.gz AOJXKOSBUVHAIA-SFYZADRCSA-N -1 0 243.303 2.010 50 0 BEAARM Cc1cn(-c2c(F)cccc2F)nc1C(=O)[O-] ZINC000096034604 384426245 /nfs/dbraw/zinc/42/62/45/384426245.db2.gz BBFINTHADPSYBZ-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM CC/C=C(\C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000219608544 384389332 /nfs/dbraw/zinc/38/93/32/384389332.db2.gz LBESEUVOVQIMST-RMKNXTFCSA-N -1 0 227.304 2.102 50 0 BEAARM COc1cc(Br)ccc1C(=O)[O-] ZINC000016124322 384453110 /nfs/dbraw/zinc/45/31/10/384453110.db2.gz CEZLPETXJOGAKX-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM O=C([O-])Cc1cccc(F)c1Br ZINC000016158467 384453172 /nfs/dbraw/zinc/45/31/72/384453172.db2.gz GQCHYZKUKPMGKK-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM COC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC000016158715 384454227 /nfs/dbraw/zinc/45/42/27/384454227.db2.gz WIXKYCQCCJXQPN-UHFFFAOYSA-N -1 0 220.146 2.198 50 0 BEAARM Cc1nc(-c2ccco2)ccc1C(=O)[O-] ZINC000047844252 384468731 /nfs/dbraw/zinc/46/87/31/384468731.db2.gz SYCIAVUQVWZODV-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM O=C([O-])CSc1c[nH]c2ccccc12 ZINC000019731023 384535774 /nfs/dbraw/zinc/53/57/74/384535774.db2.gz MVTHCDJJTYSGFW-UHFFFAOYSA-N -1 0 207.254 2.345 50 0 BEAARM O=C([O-])CSCc1ccccc1F ZINC000019269060 384513827 /nfs/dbraw/zinc/51/38/27/384513827.db2.gz WYYYOCFFKHMWML-UHFFFAOYSA-N -1 0 200.234 2.144 50 0 BEAARM O=C([O-])CSCc1cccc(F)c1 ZINC000019687383 384530832 /nfs/dbraw/zinc/53/08/32/384530832.db2.gz WRNKBSNOLIRPRZ-UHFFFAOYSA-N -1 0 200.234 2.144 50 0 BEAARM CC(C)=CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921004 384545769 /nfs/dbraw/zinc/54/57/69/384545769.db2.gz LMVXWRHVBXDDCA-NSHDSACASA-N -1 0 239.315 2.199 50 0 BEAARM CCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921308 384546788 /nfs/dbraw/zinc/54/67/88/384546788.db2.gz VAGIPZMCNVQVBI-SNVBAGLBSA-N -1 0 227.304 2.032 50 0 BEAARM Cc1onc(-c2ccc(O)cc2)c1C(=O)[O-] ZINC000098213363 384603858 /nfs/dbraw/zinc/60/38/58/384603858.db2.gz BTTLFVOOKINLNL-UHFFFAOYSA-N -1 0 219.196 2.054 50 0 BEAARM CC[C@@H](C)n1cc(Cl)c(C(=O)[O-])n1 ZINC000020313794 384613791 /nfs/dbraw/zinc/61/37/91/384613791.db2.gz QXXQAXVEVDNYLN-RXMQYKEDSA-N -1 0 202.641 2.206 50 0 BEAARM O=C([O-])CCCOCCc1ccccc1 ZINC000020506716 384620609 /nfs/dbraw/zinc/62/06/09/384620609.db2.gz SAUMQHDPIAICCP-UHFFFAOYSA-N -1 0 208.257 2.111 50 0 BEAARM Cc1c(C(=O)[O-])sc2ncnc(NC3CC3)c12 ZINC000021715877 384685611 /nfs/dbraw/zinc/68/56/11/384685611.db2.gz GZELNVNIESTPMW-UHFFFAOYSA-N -1 0 249.295 2.272 50 0 BEAARM CC(C)[C@@H](NC(=O)CCC1CCCC1)C(=O)[O-] ZINC000022211944 384743055 /nfs/dbraw/zinc/74/30/55/384743055.db2.gz HVSXCIAKZVKELS-GFCCVEGCSA-N -1 0 241.331 2.182 50 0 BEAARM Cc1cccc(-c2nnc(C(=O)[O-])s2)c1 ZINC000083304387 384757864 /nfs/dbraw/zinc/75/78/64/384757864.db2.gz MJWGXFFSMFVOPL-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM COC(=O)C=C([O-])c1c(F)cccc1Cl ZINC000083328944 384758753 /nfs/dbraw/zinc/75/87/53/384758753.db2.gz GXGZQUYKBHOIML-UHFFFAOYSA-N -1 0 230.622 2.225 50 0 BEAARM Cc1c(N)cc(Br)cc1C(=O)[O-] ZINC000083688775 384794221 /nfs/dbraw/zinc/79/42/21/384794221.db2.gz DRRWNGNIDJCWRV-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM O=C([O-])c1cnc(C2CCCCC2)nc1 ZINC000054856934 384859801 /nfs/dbraw/zinc/85/98/01/384859801.db2.gz SSAYKERXMLTQMZ-UHFFFAOYSA-N -1 0 206.245 2.223 50 0 BEAARM O=C([O-])c1ccn(Cc2ccccc2)c1 ZINC000057340959 384940345 /nfs/dbraw/zinc/94/03/45/384940345.db2.gz ZDXQRPRUTRYTCC-UHFFFAOYSA-N -1 0 201.225 2.235 50 0 BEAARM O=C([O-])C1(Cc2ccccc2F)CCOCC1 ZINC000061674687 385129082 /nfs/dbraw/zinc/12/90/82/385129082.db2.gz REIIWSBGQGVJRI-UHFFFAOYSA-N -1 0 238.258 2.250 50 0 BEAARM CCc1c(C(=O)[O-])cnn1-c1ccccc1OC ZINC000062605787 385178864 /nfs/dbraw/zinc/17/88/64/385178864.db2.gz DTIIJNVJTRIOPM-UHFFFAOYSA-N -1 0 246.266 2.142 50 0 BEAARM O=C([O-])CCc1csc(-c2ccncc2)n1 ZINC000033465118 385237251 /nfs/dbraw/zinc/23/72/51/385237251.db2.gz FJYVYCQIIKHALW-UHFFFAOYSA-N -1 0 234.280 2.222 50 0 BEAARM O=C([O-])[C@H](O)c1ccc(F)c(Cl)c1Cl ZINC000263623962 386156708 /nfs/dbraw/zinc/15/67/08/386156708.db2.gz MFJHNVASMXDUNP-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(F)c(Cl)c(Cl)c1 ZINC000263623204 386157294 /nfs/dbraw/zinc/15/72/94/386157294.db2.gz FPUCVRHAKISPEU-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1ccc(Cl)c([C@H](O)C(=O)[O-])c1Cl ZINC000263623562 386157471 /nfs/dbraw/zinc/15/74/71/386157471.db2.gz INDIXOCPBMYZCU-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM O=C([O-])[C@H](O)c1c(Cl)ccc(F)c1Cl ZINC000263624079 386158162 /nfs/dbraw/zinc/15/81/62/386158162.db2.gz NFKGLWIKJNXAPX-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])Cc1c(F)cccc1OC(F)F ZINC000238670283 386519574 /nfs/dbraw/zinc/51/95/74/386519574.db2.gz UGKBHLSJKAEXFZ-UHFFFAOYSA-N -1 0 220.146 2.054 50 0 BEAARM C[C@]1(c2cc(F)ccc2F)C[C@@H]1C(=O)[O-] ZINC000049815098 387081130 /nfs/dbraw/zinc/08/11/30/387081130.db2.gz HVVFKZKWIQXEFG-LDYMZIIASA-N -1 0 212.195 2.327 50 0 BEAARM CC/C=C\C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)[O-] ZINC000038325479 387573639 /nfs/dbraw/zinc/57/36/39/387573639.db2.gz LYSGIJUGUGJIPS-HITJCYSQSA-N -1 0 212.289 2.205 50 0 BEAARM CCO[N-]C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000036392584 387788145 /nfs/dbraw/zinc/78/81/45/387788145.db2.gz LTOUOYXDMQESHB-UHFFFAOYSA-N -1 0 239.702 2.439 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1cccc(CC)c1 ZINC000037312347 388260325 /nfs/dbraw/zinc/26/03/25/388260325.db2.gz AGOILTMYZABFPL-UHFFFAOYSA-N -1 0 245.282 2.090 50 0 BEAARM Cc1cc(C(=O)[O-])ccc1-c1cc[nH]n1 ZINC000067850452 388407143 /nfs/dbraw/zinc/40/71/43/388407143.db2.gz MCVGHDNPZDFULC-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM CO[N-]C(=O)C1(c2cccc(C)c2)CCCC1 ZINC000069532300 388419823 /nfs/dbraw/zinc/41/98/23/388419823.db2.gz QGLDBURCEKJCKO-UHFFFAOYSA-N -1 0 233.311 2.484 50 0 BEAARM O=C([O-])Cc1c[nH]c2c1cccc2Cl ZINC000011920397 388432631 /nfs/dbraw/zinc/43/26/31/388432631.db2.gz IFOAZUXPPBRTBS-UHFFFAOYSA-N -1 0 209.632 2.448 50 0 in-vitro BEAARM C[C@@H](CCC(=O)[O-])NC(=O)C1CCCCCC1 ZINC000070309725 388435910 /nfs/dbraw/zinc/43/59/10/388435910.db2.gz DEJRLTBNSPJNEY-JTQLQIEISA-N -1 0 241.331 2.326 50 0 BEAARM O=C([O-])CC(O)(c1ccccc1)c1ccccc1 ZINC000000280686 388586237 /nfs/dbraw/zinc/58/62/37/388586237.db2.gz WDPPERBMAUXJOJ-UHFFFAOYSA-N -1 0 242.274 2.397 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000134903551 388593862 /nfs/dbraw/zinc/59/38/62/388593862.db2.gz RELMMCLJMQTQFA-PRHODGIISA-N -1 0 243.303 2.155 50 0 BEAARM Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000000103261 177723608 /nfs/dbraw/zinc/72/36/08/177723608.db2.gz RPRFEMOMSGWISD-UHFFFAOYSA-N -1 0 245.072 2.221 50 0 BEAARM C[C@H]1CCCCN1c1cc(C(=O)[O-])ccn1 ZINC000019844571 132327423 /nfs/dbraw/zinc/32/74/23/132327423.db2.gz YTEJLAUMPOIDJV-VIFPVBQESA-N -1 0 220.272 2.159 50 0 BEAARM C[C@H]1CCCN(c2ncccc2C(=O)[O-])C1 ZINC000005721166 132317963 /nfs/dbraw/zinc/31/79/63/132317963.db2.gz NUYISFMPEWGRBC-VIFPVBQESA-N -1 0 220.272 2.016 50 0 BEAARM C[C@@H]1CCCN(c2ccc(N)cc2C(=O)[O-])C1 ZINC000019094023 132324254 /nfs/dbraw/zinc/32/42/54/132324254.db2.gz HLHXVRSOPLAEAC-SECBINFHSA-N -1 0 234.299 2.203 50 0 BEAARM C[C@@H]1CCCCN1c1ncccc1C(=O)[O-] ZINC000019844578 132327596 /nfs/dbraw/zinc/32/75/96/132327596.db2.gz DVTJGKUPQDZSGT-SECBINFHSA-N -1 0 220.272 2.159 50 0 BEAARM Cc1ccnc(N(C)C[C@H](C)C(=O)[O-])c1Cl ZINC000263547474 135359503 /nfs/dbraw/zinc/35/95/03/135359503.db2.gz IBPVOPXMFBWZDW-QMMMGPOBSA-N -1 0 242.706 2.200 50 0 BEAARM C[C@H](CN(C)c1ncc(Cl)cc1F)C(=O)[O-] ZINC000263548493 135359520 /nfs/dbraw/zinc/35/95/20/135359520.db2.gz IWWUKHQIELYSHC-ZCFIWIBFSA-N -1 0 246.669 2.031 50 0 BEAARM CCc1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1F ZINC000263553878 135360135 /nfs/dbraw/zinc/36/01/35/135360135.db2.gz MXHRWARXTHGJSP-ZETCQYMHSA-N -1 0 239.246 2.047 50 0 BEAARM CC[C@@H](C)C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643886 398067682 /nfs/dbraw/zinc/06/76/82/398067682.db2.gz AWCHDGPGFYGGGD-MRVPVSSYSA-N -1 0 229.320 2.038 50 0 BEAARM Cc1cc(Br)ccc1C(=O)[O-] ZINC000001764708 177722425 /nfs/dbraw/zinc/72/24/25/177722425.db2.gz RVCJOGNLYVNRDN-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)[O-] ZINC000016697116 409662294 /nfs/dbraw/zinc/66/22/94/409662294.db2.gz BDAXXVZMKUJADB-GFCCVEGCSA-N -1 0 243.303 2.251 50 0 BEAARM CCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000100746947 410304165 /nfs/dbraw/zinc/30/41/65/410304165.db2.gz VXWXNLDZGTXNRH-UHFFFAOYSA-N -1 0 248.307 2.163 50 0 BEAARM CC(=O)c1ccccc1NC(=O)CCCC(=O)[O-] ZINC000026807955 166481452 /nfs/dbraw/zinc/48/14/52/166481452.db2.gz XUPHUURWBQCCJY-UHFFFAOYSA-N -1 0 249.266 2.083 50 0 BEAARM CC(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000037302318 166526130 /nfs/dbraw/zinc/52/61/30/166526130.db2.gz ZZDFRCKSVHUFMF-UHFFFAOYSA-N -1 0 247.294 2.320 50 0 BEAARM CC(C)(C)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000019738631 166675629 /nfs/dbraw/zinc/67/56/29/166675629.db2.gz HSAOVIQXLLDARB-UHFFFAOYSA-N -1 0 228.269 2.402 50 0 BEAARM CC(C)CC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000011638531 166770608 /nfs/dbraw/zinc/77/06/08/166770608.db2.gz PRRULRDGUIEMPZ-UHFFFAOYSA-N -1 0 237.255 2.075 50 0 BEAARM CC(C)Oc1c(F)cc(C(=O)[O-])cc1F ZINC000063003951 167283968 /nfs/dbraw/zinc/28/39/68/167283968.db2.gz SEOBUACMSAPVJE-UHFFFAOYSA-N -1 0 216.183 2.450 50 0 BEAARM CC(C)Oc1ccc2cc(C(=O)[O-])c(=O)oc2c1 ZINC000011770627 167302709 /nfs/dbraw/zinc/30/27/09/167302709.db2.gz IMPQYBJLUFVIKQ-UHFFFAOYSA-N -1 0 248.234 2.278 50 0 BEAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccn1 ZINC000110965073 411121760 /nfs/dbraw/zinc/12/17/60/411121760.db2.gz GEWABSBHNMIIME-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM CC(C)n1cnc2cc(C(=O)[O-])ccc21 ZINC000002576060 167779810 /nfs/dbraw/zinc/77/98/10/167779810.db2.gz SQIQIYYPWAELAC-UHFFFAOYSA-N -1 0 204.229 2.315 50 0 in-vitro BEAARM CC1=NN(CCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000004210472 168133736 /nfs/dbraw/zinc/13/37/36/168133736.db2.gz WZYWCUCEJOQUKY-GFCCVEGCSA-N -1 0 232.283 2.284 50 0 BEAARM Cc1cc(=O)n(-c2nc3ccccc3s2)[n-]1 ZINC000005730274 168135499 /nfs/dbraw/zinc/13/54/99/168135499.db2.gz YUHMNVVMEMQSHG-UHFFFAOYSA-N -1 0 231.280 2.409 50 0 BEAARM CCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000016622255 168244141 /nfs/dbraw/zinc/24/41/41/168244141.db2.gz VIBVIPMJWOLYKJ-UHFFFAOYSA-N -1 0 207.229 2.042 50 0 BEAARM CCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000016606226 168244448 /nfs/dbraw/zinc/24/44/48/168244448.db2.gz YDLCEWPUYZXKCG-UHFFFAOYSA-N -1 0 207.229 2.042 50 0 BEAARM CCC(=O)c1cc(Cl)c([O-])cc1O ZINC000005417091 168254305 /nfs/dbraw/zinc/25/43/05/168254305.db2.gz IWXKCDOEEOKRSN-UHFFFAOYSA-N -1 0 200.621 2.344 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(C)cc1 ZINC000001606058 170197577 /nfs/dbraw/zinc/19/75/77/170197577.db2.gz GEQMJBPKCOZHMV-UHFFFAOYSA-N -1 0 206.241 2.131 50 0 BEAARM CCOC(=O)Nc1ccc(C=CC(=O)[O-])cc1 ZINC000036882043 170244092 /nfs/dbraw/zinc/24/40/92/170244092.db2.gz AQDAAWKHICJXHT-VMPITWQZSA-N -1 0 235.239 2.353 50 0 BEAARM CCOC(=O)c1c[n-]c2cc(C)cc(C)c2c1=O ZINC000018254716 170289593 /nfs/dbraw/zinc/28/95/93/170289593.db2.gz OQQHMUNGHJABQY-UHFFFAOYSA-N -1 0 245.278 2.322 50 0 BEAARM CCOC(=O)c1c[n-]c2c(CC)cccc2c1=O ZINC000000117251 170290012 /nfs/dbraw/zinc/29/00/12/170290012.db2.gz IXXFUMUBUIACJY-UHFFFAOYSA-N -1 0 245.278 2.267 50 0 BEAARM CCOC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000018254713 170290033 /nfs/dbraw/zinc/29/00/33/170290033.db2.gz HYUYDOCMASKUMM-UHFFFAOYSA-N -1 0 231.251 2.013 50 0 BEAARM CCOC(=O)c1c[n-]c2c(C)ccc(C)c2c1=O ZINC000008647868 170290167 /nfs/dbraw/zinc/29/01/67/170290167.db2.gz HMUSWIYPMAPVDO-UHFFFAOYSA-N -1 0 245.278 2.322 50 0 BEAARM CCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000002548238 170297260 /nfs/dbraw/zinc/29/72/60/170297260.db2.gz QBOWIPYEPOVPGR-UHFFFAOYSA-N -1 0 200.621 2.222 50 0 BEAARM CCOc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000020429472 170540684 /nfs/dbraw/zinc/54/06/84/170540684.db2.gz QKVQTZMPPVPNOK-UHFFFAOYSA-N -1 0 206.241 2.202 50 0 BEAARM CCOc1ccc(CCCC(=O)[O-])cc1 ZINC000003046056 170541998 /nfs/dbraw/zinc/54/19/98/170541998.db2.gz KIXYFWHNYCMRDM-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM CCOc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000082539785 170565019 /nfs/dbraw/zinc/56/50/19/170565019.db2.gz OKKIOWQOTCYRRS-BDAKNGLRSA-N -1 0 224.231 2.413 50 0 BEAARM CC[C@@H](C)C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000005049732 170683411 /nfs/dbraw/zinc/68/34/11/170683411.db2.gz MAXMFTBQSFMEHD-SSDOTTSWSA-N -1 0 237.255 2.075 50 0 BEAARM CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)[O-])nn1 ZINC000012955890 170952771 /nfs/dbraw/zinc/95/27/71/170952771.db2.gz HYHHEXXYIPJDKD-NSHDSACASA-N -1 0 249.245 2.115 50 0 BEAARM CC[C@H](C)C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000083643888 171250474 /nfs/dbraw/zinc/25/04/74/171250474.db2.gz AWCHDGPGFYGGGD-QMMMGPOBSA-N -1 0 229.320 2.038 50 0 BEAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576251 171373742 /nfs/dbraw/zinc/37/37/42/171373742.db2.gz QJCNLJWUIOIMMF-JGVFFNPUSA-N -1 0 231.292 2.010 50 0 biogenic BEAARM CC[C@H](C)[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002560862 171382872 /nfs/dbraw/zinc/38/28/72/171382872.db2.gz HTBIAUMDQYXOFG-DTWKUNHWSA-N -1 0 245.319 2.353 50 0 BEAARM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000037373854 171590517 /nfs/dbraw/zinc/59/05/17/171590517.db2.gz TWBGRXXJTOHCNT-GUBZILKMSA-N -1 0 200.278 2.445 50 0 BEAARM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000143588498 171590616 /nfs/dbraw/zinc/59/06/16/171590616.db2.gz TWBGRXXJTOHCNT-UTLUCORTSA-N -1 0 200.278 2.445 50 0 BEAARM CCC1C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C ZINC000004985167 171741824 /nfs/dbraw/zinc/74/18/24/171741824.db2.gz CVBYMXQHKIRNQZ-UHFFFAOYSA-N -1 0 246.266 2.147 50 0 BEAARM CCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000001459703 171824605 /nfs/dbraw/zinc/82/46/05/171824605.db2.gz HHHGHRABZLIUAT-UHFFFAOYSA-N -1 0 208.257 2.491 50 0 BEAARM CCc1nc2ccccc2n1C[C@@H](C)C(=O)[O-] ZINC000000316311 172013989 /nfs/dbraw/zinc/01/39/89/172013989.db2.gz CVVGRNCBKTYVCX-SECBINFHSA-N -1 0 232.283 2.319 50 0 BEAARM CCc1nn(Cc2ccccc2)cc1C(=O)[O-] ZINC000032627520 172045198 /nfs/dbraw/zinc/04/51/98/172045198.db2.gz VFGNXKKHQRLSCD-UHFFFAOYSA-N -1 0 230.267 2.192 50 0 BEAARM CCn1c2cc(OC)ccc2c(C=O)c1C(=O)[O-] ZINC000045795962 172132988 /nfs/dbraw/zinc/13/29/88/172132988.db2.gz UWZOMRPHRKDTNT-UHFFFAOYSA-N -1 0 247.250 2.181 50 0 BEAARM CCn1c(=O)c2c(C)csc2[n-]c1=S ZINC000021949170 172133088 /nfs/dbraw/zinc/13/30/88/172133088.db2.gz YYEVWPXQNRATJM-UHFFFAOYSA-N -1 0 226.326 2.449 50 0 BEAARM CCn1c2ccc(C(=O)[O-])cc2[nH]c1=S ZINC000002641177 172146290 /nfs/dbraw/zinc/14/62/90/172146290.db2.gz IGEXTLPSHQMADO-UHFFFAOYSA-N -1 0 222.269 2.043 50 0 BEAARM CNc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000022054675 173474625 /nfs/dbraw/zinc/47/46/25/173474625.db2.gz TXJMYISJXPBNCC-UHFFFAOYSA-N -1 0 215.636 2.089 50 0 in-vitro BEAARM C[C@H]1Cc2ccccc2N(CCC(=O)[O-])C1 ZINC000082441953 487628820 /nfs/dbraw/zinc/62/88/20/487628820.db2.gz WOUWSRBKIIEUMT-JTQLQIEISA-N -1 0 219.284 2.160 50 0 BEAARM COc1c(Cl)ncc(Cl)c1C(=O)[O-] ZINC000066054409 174931494 /nfs/dbraw/zinc/93/14/94/174931494.db2.gz NRXYREZMKGHSQO-UHFFFAOYSA-N -1 0 222.027 2.095 50 0 BEAARM COc1cc(/C=C/C(=O)[O-])ccc1OC(F)F ZINC000001460503 174939895 /nfs/dbraw/zinc/93/98/95/174939895.db2.gz WLTUXAUWAGSABF-HWKANZROSA-N -1 0 244.193 2.394 50 0 BEAARM COc1cc2c(C)c(C(=O)[O-])[nH]c2c(C)c1 ZINC000082597638 174963962 /nfs/dbraw/zinc/96/39/62/174963962.db2.gz WYOLVXSKXCAACM-UHFFFAOYSA-N -1 0 219.240 2.492 50 0 BEAARM COc1cc(C2(C(=O)[O-])CC2)ccc1C ZINC000021953036 174975642 /nfs/dbraw/zinc/97/56/42/174975642.db2.gz WHSRBWOFSUGSHR-UHFFFAOYSA-N -1 0 206.241 2.120 50 0 BEAARM COc1cc(CC(=O)[O-])ccc1Br ZINC000003848136 174977614 /nfs/dbraw/zinc/97/76/14/174977614.db2.gz XAELQZLYEDCMJI-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 BEAARM COc1cc2[nH]c(C(=O)[O-])cc2cc1F ZINC000060082709 175018305 /nfs/dbraw/zinc/01/83/05/175018305.db2.gz YRFANAUFECXLOZ-UHFFFAOYSA-N -1 0 209.176 2.014 50 0 BEAARM COc1ccc(-c2c(C)n[nH]c2C)c(C(=O)[O-])c1 ZINC000000166816 175029569 /nfs/dbraw/zinc/02/95/69/175029569.db2.gz CBCMTURGULPQFR-UHFFFAOYSA-N -1 0 246.266 2.400 50 0 BEAARM COc1ccc(-c2cnc(CCC(=O)[O-])o2)cc1 ZINC000019803096 175036229 /nfs/dbraw/zinc/03/62/29/175036229.db2.gz XNECMDGPKZMMNM-UHFFFAOYSA-N -1 0 247.250 2.367 50 0 BEAARM COc1ccc(-c2nc(C(=O)[O-])c(C)o2)cc1 ZINC000020357801 175038332 /nfs/dbraw/zinc/03/83/32/175038332.db2.gz AAGVOCGVJGNEII-UHFFFAOYSA-N -1 0 233.223 2.357 50 0 BEAARM COc1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000000170231 175038869 /nfs/dbraw/zinc/03/88/69/175038869.db2.gz HWRQFRXTBPYUEK-UHFFFAOYSA-N -1 0 249.291 2.446 50 0 biogenic BEAARM COc1ccc(-n2c(C)n[n-]c2=S)cc1 ZINC000004663148 175044222 /nfs/dbraw/zinc/04/42/22/175044222.db2.gz KLPXNKOOEUJDAN-UHFFFAOYSA-N -1 0 221.285 2.247 50 0 BEAARM COc1ccc(C(=O)CCCC(=O)[O-])cc1F ZINC000004255943 175053568 /nfs/dbraw/zinc/05/35/68/175053568.db2.gz BHDQZXHNCXHMCB-UHFFFAOYSA-N -1 0 240.230 2.272 50 0 BEAARM COc1ccc(C(=O)[O-])c(OC(F)(F)F)c1 ZINC000012359278 175064255 /nfs/dbraw/zinc/06/42/55/175064255.db2.gz PDDVYCWKVQXOTR-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1ccc(C(=O)[O-])cc1-n1nc(C)cc1C ZINC000079124122 175064525 /nfs/dbraw/zinc/06/45/25/175064525.db2.gz DUQZCVLLRKTZHB-UHFFFAOYSA-N -1 0 246.266 2.196 50 0 BEAARM COc1ccc(C(C)C)cc1CC(=O)[O-] ZINC000003750812 175068363 /nfs/dbraw/zinc/06/83/63/175068363.db2.gz RAGSCSDHAJVIBP-UHFFFAOYSA-N -1 0 208.257 2.446 50 0 BEAARM COc1ccc(C2(C(=O)[O-])CCC2)cc1OC ZINC000021952032 175083498 /nfs/dbraw/zinc/08/34/98/175083498.db2.gz DRZBWKSCHXEQIO-UHFFFAOYSA-N -1 0 236.267 2.210 50 0 BEAARM COc1ccc(CC(=O)[O-])c2ccccc12 ZINC000003750828 175087276 /nfs/dbraw/zinc/08/72/76/175087276.db2.gz FGQVYDBPYSEAMZ-UHFFFAOYSA-N -1 0 216.236 2.476 50 0 BEAARM COc1ccc(Oc2c(C)[n-][nH]c2=O)cc1 ZINC000008026336 175173876 /nfs/dbraw/zinc/17/38/76/175173876.db2.gz OPLOSKQMLVQUNV-UHFFFAOYSA-N -1 0 220.228 2.225 50 0 BEAARM COc1ccc(SCCC(=O)[O-])cc1 ZINC000000161516 175174941 /nfs/dbraw/zinc/17/49/41/175174941.db2.gz YGLGCLKWXCJXRC-UHFFFAOYSA-N -1 0 212.270 2.262 50 0 BEAARM COc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000019687177 175175519 /nfs/dbraw/zinc/17/55/19/175175519.db2.gz KGMRFOXHSDWDKC-SSDOTTSWSA-N -1 0 212.270 2.260 50 0 BEAARM COc1ccc2c(CC(=O)[O-])coc2c1 ZINC000000161694 175204512 /nfs/dbraw/zinc/20/45/12/175204512.db2.gz QCXJFLREQGIACT-UHFFFAOYSA-N -1 0 206.197 2.069 50 0 in-vitro BEAARM COc1ccc2c(c1)C(CC(=O)[O-])=C(C)C2 ZINC000034191698 175206399 /nfs/dbraw/zinc/20/63/99/175206399.db2.gz ZDWQHACRQPVJEQ-UHFFFAOYSA-N -1 0 218.252 2.500 50 0 BEAARM COc1ccc2ccccc2c1CC(=O)[O-] ZINC000003750830 175225991 /nfs/dbraw/zinc/22/59/91/175225991.db2.gz LENIVOVJFPDRLS-UHFFFAOYSA-N -1 0 216.236 2.476 50 0 BEAARM COc1cccc(-c2cc(C(=O)[O-])on2)c1 ZINC000006681898 175233036 /nfs/dbraw/zinc/23/30/36/175233036.db2.gz OTKLXXDOCKHVEX-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccccc1-c1ccnc(C(=O)[O-])c1 ZINC000065347329 175309763 /nfs/dbraw/zinc/30/97/63/175309763.db2.gz DINDOERBBKFZRY-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccccc1C/C(C)=C/C(=O)[O-] ZINC000037734979 175320236 /nfs/dbraw/zinc/32/02/36/175320236.db2.gz DXFINYUXSFQEHS-CMDGGOBGSA-N -1 0 206.241 2.269 50 0 BEAARM COc1ccccc1[C@]1(C)C[C@@H]1C(=O)[O-] ZINC000049813403 175356119 /nfs/dbraw/zinc/35/61/19/175356119.db2.gz PDMBEGHTKKCRMG-SKDRFNHKSA-N -1 0 206.241 2.057 50 0 BEAARM C[C@@H](C(=O)[O-])c1cn(C)c2ccccc12 ZINC000039118025 175627266 /nfs/dbraw/zinc/62/72/66/175627266.db2.gz BWJKELIYCFNOEB-MRVPVSSYSA-N -1 0 203.241 2.366 50 0 BEAARM C[C@@H](NC(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC000195542680 175849495 /nfs/dbraw/zinc/84/94/95/175849495.db2.gz GEGUZADNZOXCKH-SSDOTTSWSA-N -1 0 249.291 2.104 50 0 BEAARM C[C@@H]1CCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000040718588 176181299 /nfs/dbraw/zinc/18/12/99/176181299.db2.gz TWILPNYGUYVPFD-SECBINFHSA-N -1 0 205.257 2.231 50 0 BEAARM C[C@H](Oc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000013609105 177022226 /nfs/dbraw/zinc/02/22/26/177022226.db2.gz PHTYQJHFTKTHQB-YFKPBYRVSA-N -1 0 218.611 2.331 50 0 BEAARM C[C@H](Oc1ccccc1Br)C(=O)[O-] ZINC000006182871 177024745 /nfs/dbraw/zinc/02/47/45/177024745.db2.gz FRWFVFRKYPCAJM-LURJTMIESA-N -1 0 245.072 2.301 50 0 BEAARM C[C@H](Sc1nc2ccccc2n1C)C(=O)[O-] ZINC000005298039 177030248 /nfs/dbraw/zinc/03/02/48/177030248.db2.gz RCBCENAMKXAULF-ZETCQYMHSA-N -1 0 236.296 2.139 50 0 BEAARM CC(=O)c1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000014985707 262712695 /nfs/dbraw/zinc/71/26/95/262712695.db2.gz CCPPDGXVPFOREY-UHFFFAOYSA-N -1 0 203.197 2.069 50 0 BEAARM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cl ZINC000045956615 487863453 /nfs/dbraw/zinc/86/34/53/487863453.db2.gz HHKYLSJWYJQBIS-UHFFFAOYSA-N -1 0 221.647 2.206 50 0 BEAARM Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)[O-])c1 ZINC000049258551 487944856 /nfs/dbraw/zinc/94/48/56/487944856.db2.gz LFCZHHLXSJFIIM-HWPZZCPQSA-N -1 0 240.324 2.025 50 0 BEAARM CC(C)(NC(=O)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000087622473 488147410 /nfs/dbraw/zinc/14/74/10/488147410.db2.gz IJPGGYNRSGUCJS-UHFFFAOYSA-N -1 0 249.310 2.306 50 0 BEAARM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)c2ccccc21 ZINC000154800552 524455621 /nfs/dbraw/zinc/45/56/21/524455621.db2.gz GDNCXZUUKYEBQE-VIFPVBQESA-N -1 0 245.278 2.002 50 0 BEAARM O=C([O-])C[C@H]1OCc2cc(Cl)ccc21 ZINC000141711052 527636942 /nfs/dbraw/zinc/63/69/42/527636942.db2.gz LYPABKILTVLNSU-SECBINFHSA-N -1 0 212.632 2.386 50 0 BEAARM CC1(C)Cc2cc(/C=C(\C#N)C(=O)[O-])ccc2O1 ZINC000096298224 566366967 /nfs/dbraw/zinc/36/69/67/566366967.db2.gz UZKXMXPEWCCGNM-IZZDOVSWSA-N -1 0 243.262 2.392 50 0 BEAARM C/C=C(/C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000097035709 601292703 /nfs/dbraw/zinc/29/27/03/601292703.db2.gz FDEGYBOPNNPXDF-KMKOMSMNSA-N -1 0 239.315 2.246 50 0 BEAARM CN(C(=O)OC(C)(C)C)C1(C(=O)[O-])CCCC1 ZINC000069550844 604415629 /nfs/dbraw/zinc/41/56/29/604415629.db2.gz YSEDBEYQSAQOPD-UHFFFAOYSA-N -1 0 243.303 2.251 50 0 BEAARM CC/C=C(/C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000097018183 631365053 /nfs/dbraw/zinc/36/50/53/631365053.db2.gz OLKKFABDSLROCQ-ZVTBTPLYSA-N -1 0 227.304 2.102 50 0 BEAARM CC[C@H](C)C(=O)c1nc(C(=O)[O-])cs1 ZINC000199477871 633022311 /nfs/dbraw/zinc/02/23/11/633022311.db2.gz PHYUMRLFJVCQBC-YFKPBYRVSA-N -1 0 213.258 2.070 50 0 BEAARM O=Cc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000888095858 635369658 /nfs/dbraw/zinc/36/96/58/635369658.db2.gz ZRVRPLDAIMDCBN-UHFFFAOYSA-N -1 0 233.267 2.188 50 0 BEAARM C[C@@H](Nc1cccc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000159231813 641673572 /nfs/dbraw/zinc/67/35/72/641673572.db2.gz ZLVBTGKTRADQNE-KOLCDFICSA-N -1 0 235.283 2.222 50 0 BEAARM O=C([O-])CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000000613601 642799478 /nfs/dbraw/zinc/79/94/78/642799478.db2.gz FIFPGPRLUARLIS-UHFFFAOYSA-N -1 0 244.222 2.018 50 0 BEAARM CC(=O)c1ccn(-c2cc([O-])c(F)c(F)c2)n1 ZINC000065463819 712399325 /nfs/dbraw/zinc/39/93/25/712399325.db2.gz PBCCRESMEPPFTM-UHFFFAOYSA-N -1 0 238.193 2.059 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1OC(F)F ZINC000042238283 973000791 /nfs/dbraw/zinc/00/07/91/973000791.db2.gz JMFLMTHEUHPHGJ-UHFFFAOYSA-N -1 0 202.156 2.295 50 0 BEAARM O=C([O-])c1nc2ccccn2c1-c1ccncc1 ZINC001506396955 988773997 /nfs/dbraw/zinc/77/39/97/988773997.db2.gz PSYVPXJTBRWKAG-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000065045 177919839 /nfs/dbraw/zinc/91/98/39/177919839.db2.gz LXNGKWBJIIXNBD-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1cc(C)n(Cc2ccc(C(=O)[O-])cc2)n1 ZINC000000052717 177929732 /nfs/dbraw/zinc/92/97/32/177929732.db2.gz ORMOJZFLVSEQOR-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM Cc1cc(F)ccc1-n1ccc(C(=O)[O-])n1 ZINC000020475903 178081078 /nfs/dbraw/zinc/08/10/78/178081078.db2.gz QUPGXFAIRJFVSK-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM CCC(CC)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000089943067 168338191 /nfs/dbraw/zinc/33/81/91/168338191.db2.gz QIEKVWBOSOSWQO-LLVKDONJSA-N -1 0 243.347 2.286 50 0 BEAARM CCC(CC)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000089943069 168338541 /nfs/dbraw/zinc/33/85/41/168338541.db2.gz QIEKVWBOSOSWQO-NSHDSACASA-N -1 0 243.347 2.286 50 0 BEAARM C[C@H](CCC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000619012 259300772 /nfs/dbraw/zinc/30/07/72/259300772.db2.gz GCMSBQGHHOGESQ-SECBINFHSA-N -1 0 221.256 2.126 50 0 BEAARM Cc1cc(Oc2ccc(C(=O)[O-])cc2)n(C)n1 ZINC000095704864 178214172 /nfs/dbraw/zinc/21/41/72/178214172.db2.gz UPGNXXUBANIIQD-UHFFFAOYSA-N -1 0 232.239 2.219 50 0 BEAARM Cc1cc2c(nc1C)sc1c2[n-]cnc1=O ZINC000032498097 178293084 /nfs/dbraw/zinc/29/30/84/178293084.db2.gz MLGLFOYDPGCMPX-UHFFFAOYSA-N -1 0 231.280 2.150 50 0 BEAARM Cc1ccc(-c2n[nH]cc2C(=O)[O-])c(C)c1 ZINC000005818231 178316417 /nfs/dbraw/zinc/31/64/17/178316417.db2.gz KGEQBBPEZHGSNN-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C)cc1C ZINC000037295379 178350034 /nfs/dbraw/zinc/35/00/34/178350034.db2.gz KZQSTFHDRZXJJI-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM Cc1ccc(Br)cc1NCC(=O)[O-] ZINC000037415479 178362319 /nfs/dbraw/zinc/36/23/19/178362319.db2.gz VCNAHXVPZMNTCB-UHFFFAOYSA-N -1 0 244.088 2.254 50 0 BEAARM Cc1ccc(C([O-])=CC(=O)C(F)(F)F)o1 ZINC000100631146 178371826 /nfs/dbraw/zinc/37/18/26/178371826.db2.gz DAWIAMPYBTWSLY-UHFFFAOYSA-N -1 0 220.146 2.292 50 0 BEAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2Cl)N1 ZINC000000080570 342673391 /nfs/dbraw/zinc/67/33/91/342673391.db2.gz JMNONJXMGLSVNV-RKDXNWHRSA-N -1 0 243.715 2.128 50 0 BEAARM CCCc1nc(NC)nc(-c2ccccc2[O-])n1 ZINC000000090593 342673702 /nfs/dbraw/zinc/67/37/02/342673702.db2.gz NNXKYWPOYTVUET-UHFFFAOYSA-N -1 0 244.298 2.238 50 0 BEAARM O=C([O-])c1cc2cnccc2nc1C(F)(F)F ZINC000000154211 342677844 /nfs/dbraw/zinc/67/78/44/342677844.db2.gz SPCQXBZSADFOOD-UHFFFAOYSA-N -1 0 242.156 2.347 50 0 BEAARM CC(C)(C)C(=O)Nc1ccsc1C(=O)[O-] ZINC000000169447 342678904 /nfs/dbraw/zinc/67/89/04/342678904.db2.gz XICCLOZJMBDTQZ-UHFFFAOYSA-N -1 0 227.285 2.431 50 0 BEAARM C[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000178387 342679353 /nfs/dbraw/zinc/67/93/53/342679353.db2.gz JDZNIWUNOASRIK-MRVPVSSYSA-N -1 0 203.241 2.431 50 0 biogenic BEAARM Cn1cc(SCC(=O)[O-])c2ccccc21 ZINC000000318598 342683295 /nfs/dbraw/zinc/68/32/95/342683295.db2.gz DVPGVQNKZXBQPX-UHFFFAOYSA-N -1 0 221.281 2.355 50 0 BEAARM CC[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000392839 342685990 /nfs/dbraw/zinc/68/59/90/342685990.db2.gz USZVTXIEQADBGH-MRVPVSSYSA-N -1 0 222.240 2.340 50 0 BEAARM O=C([O-])c1ccccc1C(=O)NC1CCCCC1 ZINC000000398284 342686442 /nfs/dbraw/zinc/68/64/42/342686442.db2.gz HECNJWVSWIBMGG-UHFFFAOYSA-N -1 0 247.294 2.447 50 0 BEAARM O=C([O-])c1cc(Cl)cc(Cl)c1O ZINC000000409156 342686941 /nfs/dbraw/zinc/68/69/41/342686941.db2.gz CNJGWCQEGROXEE-UHFFFAOYSA-N -1 0 207.012 2.397 50 0 in-vivo BEAARM Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000000052276 342671742 /nfs/dbraw/zinc/67/17/42/342671742.db2.gz DGZPYJBDYGAEBE-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)cc2)no1 ZINC000000819006 342693324 /nfs/dbraw/zinc/69/33/24/342693324.db2.gz RAPIFMAMJGZVMX-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1cc(=O)c2ccc(Cl)cc2o1 ZINC000000984013 342695279 /nfs/dbraw/zinc/69/52/79/342695279.db2.gz QTAXIAZVGOANTN-UHFFFAOYSA-N -1 0 224.599 2.145 50 0 BEAARM Cc1ccc(N)c(C(=O)CCCCC(=O)[O-])c1 ZINC000002026149 342714728 /nfs/dbraw/zinc/71/47/28/342714728.db2.gz WGVUKKWTXKKGPY-UHFFFAOYSA-N -1 0 235.283 2.405 50 0 BEAARM C[C@H](C(=O)[O-])N1c2cccc3cccc(c23)C1=O ZINC000004195489 342743803 /nfs/dbraw/zinc/74/38/03/342743803.db2.gz JFJNKFCRNNIBAI-MRVPVSSYSA-N -1 0 241.246 2.273 50 0 BEAARM O=C([O-])c1cc2c(cccc2OC(F)F)[nH]1 ZINC000004218751 342744587 /nfs/dbraw/zinc/74/45/87/342744587.db2.gz XGOYZKXAIYPMPZ-UHFFFAOYSA-N -1 0 227.166 2.468 50 0 BEAARM CCOc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000004234917 342744760 /nfs/dbraw/zinc/74/47/60/342744760.db2.gz PCCOHUMOXQWQTE-UHFFFAOYSA-N -1 0 232.239 2.174 50 0 BEAARM Cc1cccc(-c2noc(CCC(=O)[O-])n2)c1 ZINC000004383814 342747498 /nfs/dbraw/zinc/74/74/98/342747498.db2.gz XODDCJFEBMABKW-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM C[C@@]1(C(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC000004512126 342748533 /nfs/dbraw/zinc/74/85/33/342748533.db2.gz ZRRIBPPHPPYNFM-NSHDSACASA-N -1 0 239.658 2.308 50 0 BEAARM CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] ZINC000002525859 342722510 /nfs/dbraw/zinc/72/25/10/342722510.db2.gz FVTWJYOGVFLUNJ-QMMMGPOBSA-N -1 0 243.303 2.107 50 0 in-vitro BEAARM Cc1ccc([O-])c(C(=O)C(F)(F)F)c1 ZINC000002559562 342724060 /nfs/dbraw/zinc/72/40/60/342724060.db2.gz BQXJLIFASBKZNO-UHFFFAOYSA-N -1 0 204.147 2.446 50 0 BEAARM CCOc1cccc2[nH]c(C(=O)[O-])cc21 ZINC000002582704 342725764 /nfs/dbraw/zinc/72/57/64/342725764.db2.gz LJWIZTFZBBEWOJ-UHFFFAOYSA-N -1 0 205.213 2.265 50 0 BEAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000002583113 342725817 /nfs/dbraw/zinc/72/58/17/342725817.db2.gz STXYMSGJQJBIHL-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 in-vitro BEAARM COc1cc(Cl)cc(C(=O)[O-])c1OC ZINC000003172899 342731348 /nfs/dbraw/zinc/73/13/48/342731348.db2.gz LRURKYFKJPEOMX-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM CCCn1c(=O)c2cc(O)ccc2[n-]c1=S ZINC000004864234 342753517 /nfs/dbraw/zinc/75/35/17/342753517.db2.gz PJRXKXRZKMUFJT-UHFFFAOYSA-N -1 0 236.296 2.175 50 0 BEAARM Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)[O-])n[nH]1 ZINC000004945554 342754965 /nfs/dbraw/zinc/75/49/65/342754965.db2.gz YLRUIZVZRUFWDV-UHFFFAOYSA-N -1 0 248.286 2.169 50 0 BEAARM CCC[P@](=O)(CC(=O)[O-])c1ccccc1 ZINC000004949818 342754988 /nfs/dbraw/zinc/75/49/88/342754988.db2.gz QASLMIHKSLMWHT-HNNXBMFYSA-N -1 0 226.212 2.170 50 0 BEAARM CC1(C)S[C@@H](c2ccsc2)N[C@H]1C(=O)[O-] ZINC000005304306 342761565 /nfs/dbraw/zinc/76/15/65/342761565.db2.gz QOMMCXODIHCENQ-YUMQZZPRSA-N -1 0 243.353 2.315 50 0 BEAARM CC1(C)S[C@@H](c2ccsc2)N[C@@H]1C(=O)[O-] ZINC000005304832 342761940 /nfs/dbraw/zinc/76/19/40/342761940.db2.gz QOMMCXODIHCENQ-SFYZADRCSA-N -1 0 243.353 2.315 50 0 BEAARM Nc1ccc(Br)cc1[S-] ZINC000005551024 342765860 /nfs/dbraw/zinc/76/58/60/342765860.db2.gz LDGHLZFFKMEAOE-UHFFFAOYSA-N -1 0 204.092 2.320 50 0 BEAARM CC[C@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000006048930 342772992 /nfs/dbraw/zinc/77/29/92/342772992.db2.gz SOLUJUUORFCATB-QMMMGPOBSA-N -1 0 216.183 2.207 50 0 BEAARM O=C([O-])c1c[nH]nc1-c1cccc(Cl)c1 ZINC000008700067 342802554 /nfs/dbraw/zinc/80/25/54/342802554.db2.gz NRLXVXJRFCKANA-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM Cc1cc(-c2cc(C(=O)[O-])n[nH]2)ccc1F ZINC000011734995 342843081 /nfs/dbraw/zinc/84/30/81/342843081.db2.gz HXHPJEUZPLWKSX-UHFFFAOYSA-N -1 0 220.203 2.222 50 0 BEAARM CCCC(=O)C1=C([O-])c2ccccc2C1 ZINC000109252723 539027716 /nfs/dbraw/zinc/02/77/16/539027716.db2.gz QCJLXVFKADIPAY-NSHDSACASA-N -1 0 202.253 2.411 50 0 BEAARM CCOc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000011976570 342845682 /nfs/dbraw/zinc/84/56/82/342845682.db2.gz UVCZHRCJBBFDBB-VIFPVBQESA-N -1 0 208.257 2.349 50 0 BEAARM C[C@@H](C(=O)[O-])n1nc(C(F)(F)F)c2c1CCC2 ZINC000012394745 342851046 /nfs/dbraw/zinc/85/10/46/342851046.db2.gz WMFULLMJQHHBFB-YFKPBYRVSA-N -1 0 248.204 2.036 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2)nc2ccnn21 ZINC000012399071 342851298 /nfs/dbraw/zinc/85/12/98/342851298.db2.gz DMRXYZWKKFOYSM-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM COc1cc(C(=O)[O-])ccc1Br ZINC000012471570 342852374 /nfs/dbraw/zinc/85/23/74/342852374.db2.gz UEVXVBKBOFGKIN-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM O=C([O-])c1ccc2c(c1)ncn2C1CC1 ZINC000014001386 342875603 /nfs/dbraw/zinc/87/56/03/342875603.db2.gz QXHSPEOTFUIAFD-UHFFFAOYSA-N -1 0 202.213 2.069 50 0 BEAARM O=C([O-])c1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC000015444612 342896623 /nfs/dbraw/zinc/89/66/23/342896623.db2.gz LNBDAJILRYSSGZ-GFCCVEGCSA-N -1 0 246.266 2.434 50 0 BEAARM O=C([O-])c1cc(C(F)(F)F)cnc1Cl ZINC000016159932 342907632 /nfs/dbraw/zinc/90/76/32/342907632.db2.gz RMSKYTKOFDQVEL-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM COc1ccc([C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000019088158 342941387 /nfs/dbraw/zinc/94/13/87/342941387.db2.gz GIRPVUVYVGNIEF-ZDUSSCGKSA-N -1 0 220.268 2.448 50 0 BEAARM Cc1sc(Nc2cccnc2)nc1C(=O)[O-] ZINC000167697192 346891984 /nfs/dbraw/zinc/89/19/84/346891984.db2.gz QVMFVYCGSPVLLU-UHFFFAOYSA-N -1 0 235.268 2.288 50 0 BEAARM Cc1oc(-c2cccs2)nc1C(=O)[O-] ZINC000019387282 342947163 /nfs/dbraw/zinc/94/71/63/342947163.db2.gz OEGSXMHEARRXEI-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM CCCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000020136513 342971404 /nfs/dbraw/zinc/97/14/04/342971404.db2.gz WPWXVOSIGWQIRP-UHFFFAOYSA-N -1 0 221.256 2.432 50 0 BEAARM O=C([O-])c1cnc(COc2ccccc2)s1 ZINC000019948456 342964292 /nfs/dbraw/zinc/96/42/92/342964292.db2.gz UZJZXIIZCKLJFZ-UHFFFAOYSA-N -1 0 235.264 2.420 50 0 BEAARM Cc1ccc(OCC(=O)[O-])c2c1[C@@H](C)CC2=O ZINC000020281019 342979900 /nfs/dbraw/zinc/97/99/00/342979900.db2.gz FCFFTPZBZQUDFH-QMMMGPOBSA-N -1 0 234.251 2.148 50 0 BEAARM O=C([O-])c1ccc(OCC(F)F)cc1 ZINC000020348860 342982737 /nfs/dbraw/zinc/98/27/37/342982737.db2.gz JPXVLMHHANYKKW-UHFFFAOYSA-N -1 0 202.156 2.029 50 0 BEAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000020357753 342983579 /nfs/dbraw/zinc/98/35/79/342983579.db2.gz QTHQRNWVCRIQCR-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM O=C([O-])[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000020357889 342983594 /nfs/dbraw/zinc/98/35/94/342983594.db2.gz AZFUTXZLXVXJSZ-QMMMGPOBSA-N -1 0 225.675 2.251 50 0 BEAARM O=C([O-])[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000020357888 342983620 /nfs/dbraw/zinc/98/36/20/342983620.db2.gz AZFUTXZLXVXJSZ-MRVPVSSYSA-N -1 0 225.675 2.251 50 0 BEAARM C[C@H](C(=O)[O-])c1ccc2ncccc2c1 ZINC000021304025 343009247 /nfs/dbraw/zinc/00/92/47/343009247.db2.gz PZEAPGRLLGDEEL-QMMMGPOBSA-N -1 0 201.225 2.423 50 0 BEAARM O=C([O-])c1cccn1Cc1ccc(F)cc1 ZINC000021780630 343020907 /nfs/dbraw/zinc/02/09/07/343020907.db2.gz PDFAKAUXPIKVFC-UHFFFAOYSA-N -1 0 219.215 2.374 50 0 BEAARM O=C([O-])c1ccccc1OCc1cccnc1 ZINC000021951657 343029472 /nfs/dbraw/zinc/02/94/72/343029472.db2.gz DWKCENSYFZPFGQ-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(F)cc1F ZINC000021965562 343031434 /nfs/dbraw/zinc/03/14/34/343031434.db2.gz RJBXTZNSOMPKAC-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM O=C([O-])c1cc(Cl)n(-c2ccccc2)n1 ZINC000022014616 343035494 /nfs/dbraw/zinc/03/54/94/343035494.db2.gz UPDIMIJPSZSIGL-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM CCSc1nc(C)c(CC(=O)[O-])s1 ZINC000019812741 343073726 /nfs/dbraw/zinc/07/37/26/343073726.db2.gz ZMFOTRMQXVYXKU-UHFFFAOYSA-N -1 0 217.315 2.191 50 0 BEAARM CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000584883897 343087374 /nfs/dbraw/zinc/08/73/74/343087374.db2.gz WEFUGDFHMSUHQT-FNORWQNLSA-N -1 0 238.239 2.333 50 0 BEAARM O=C([O-])c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000026505970 343106026 /nfs/dbraw/zinc/10/60/26/343106026.db2.gz NSZKRXBJKXWLMN-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM CCCn1cc(C(=O)[O-])c(=O)c2cc(C)ccc21 ZINC000026507987 343106176 /nfs/dbraw/zinc/10/61/76/343106176.db2.gz NYVQXNSADABIKL-UHFFFAOYSA-N -1 0 245.278 2.418 50 0 BEAARM CCn1c([C@H](O)c2ccccc2)n[nH]c1=S ZINC000000085189 187244473 /nfs/dbraw/zinc/24/44/73/187244473.db2.gz LSTGRRLDDJXRDC-SECBINFHSA-N -1 0 235.312 2.042 50 0 BEAARM Cc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000000100897 187244198 /nfs/dbraw/zinc/24/41/98/187244198.db2.gz QQEJGGHVHJKUSE-SNVBAGLBSA-N -1 0 235.283 2.434 50 0 BEAARM Cc1cc(C)c(NC(=O)/C=C/C(=O)[O-])cc1C ZINC000000072379 187244204 /nfs/dbraw/zinc/24/42/04/187244204.db2.gz OUPHYMMLAJECIQ-SNAWJCMRSA-N -1 0 233.267 2.191 50 0 BEAARM O=C([O-])[C@H]1SCCc2sccc21 ZINC000034091187 343264406 /nfs/dbraw/zinc/26/44/06/343264406.db2.gz LJDDCXKISNJWCA-ZETCQYMHSA-N -1 0 200.284 2.163 50 0 BEAARM CCSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000016662118 343271091 /nfs/dbraw/zinc/27/10/91/343271091.db2.gz HJUVXOMFFGIKFG-UHFFFAOYSA-N -1 0 248.307 2.050 50 0 BEAARM O=C([O-])[C@@H]1C[C@H]1c1nc2ccccc2o1 ZINC000034926283 343280508 /nfs/dbraw/zinc/28/05/08/343280508.db2.gz ZZTHDEKCVGNAJD-RNFRBKRXSA-N -1 0 203.197 2.016 50 0 BEAARM CON(C)C(=O)c1cc2ccccc2cc1O ZINC000036739273 343323333 /nfs/dbraw/zinc/32/33/33/343323333.db2.gz KAQVQJKCMLYONP-UHFFFAOYSA-N -1 0 231.251 2.179 50 0 BEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Cl)s2)N1 ZINC000036906846 343327509 /nfs/dbraw/zinc/32/75/09/343327509.db2.gz IKBXTCUEVOKTDZ-FBCQKBJTSA-N -1 0 249.744 2.190 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(F)c(F)c1 ZINC000038478426 343375649 /nfs/dbraw/zinc/37/56/49/343375649.db2.gz ZPUYQNXDSDQEHK-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM COc1c(CC(=O)[O-])cccc1C(F)(F)F ZINC000038529848 343375888 /nfs/dbraw/zinc/37/58/88/343375888.db2.gz LMQFQFJTFHHNQH-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM CC(C)C[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528675 343375968 /nfs/dbraw/zinc/37/59/68/343375968.db2.gz GYOVBMLJVOOBQA-GFCCVEGCSA-N -1 0 245.319 2.401 50 0 BEAARM O=C([O-])c1cc(F)ccc1OC(F)F ZINC000038530029 343376593 /nfs/dbraw/zinc/37/65/93/343376593.db2.gz IZQYQUSKIYZJCN-UHFFFAOYSA-N -1 0 206.119 2.125 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000037381176 343344325 /nfs/dbraw/zinc/34/43/25/343344325.db2.gz VEQHUVWIKWWTFY-SFYZADRCSA-N -1 0 228.194 2.476 50 0 BEAARM Cc1ccc(C(=O)NCCCCC(=O)[O-])c(C)c1 ZINC000070198135 187258752 /nfs/dbraw/zinc/25/87/52/187258752.db2.gz RPMBEXPPEKISNP-UHFFFAOYSA-N -1 0 249.310 2.288 50 0 BEAARM O=C([O-])c1ccc(-c2ccc3c(c2)OCO3)nc1 ZINC000039927708 343393306 /nfs/dbraw/zinc/39/33/06/343393306.db2.gz WIKJEXASXBADSJ-UHFFFAOYSA-N -1 0 243.218 2.176 50 0 BEAARM CCOc1cccc2cc(-c3n[n-]c(=O)o3)oc21 ZINC000040448208 343403390 /nfs/dbraw/zinc/40/33/90/343403390.db2.gz GLSYRGZQVBCXRM-UHFFFAOYSA-N -1 0 246.222 2.175 50 0 BEAARM O=C([O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000040991522 343412011 /nfs/dbraw/zinc/41/20/11/343412011.db2.gz BDHACESTUPCZAC-LBPRGKRZSA-N -1 0 236.267 2.008 50 0 BEAARM O=C([O-])c1nc2cccc(Cl)n2c1Cl ZINC000044676339 343511642 /nfs/dbraw/zinc/51/16/42/343511642.db2.gz OMBATAGDYCDDMJ-UHFFFAOYSA-N -1 0 231.038 2.339 50 0 BEAARM CC1(C)C[C@H](C(=O)[O-])c2ccccc2O1 ZINC000041214660 187264002 /nfs/dbraw/zinc/26/40/02/187264002.db2.gz BWVFHFVXJOLMIC-VIFPVBQESA-N -1 0 206.241 2.416 50 0 BEAARM C[C@@H]1CCC(=O)C(=C([O-])c2ccco2)C1 ZINC000043651453 343696554 /nfs/dbraw/zinc/69/65/54/343696554.db2.gz ANGMEORCXOCVFA-RKDXNWHRSA-N -1 0 206.241 2.468 50 0 BEAARM CC(=O)c1ccc(SCC(=O)[O-])cc1F ZINC000068591569 187275058 /nfs/dbraw/zinc/27/50/58/187275058.db2.gz PEPMALGUUYDTSS-UHFFFAOYSA-N -1 0 228.244 2.205 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)[O-] ZINC000072208081 187276386 /nfs/dbraw/zinc/27/63/86/187276386.db2.gz YERVFXLPVTWCHS-SECBINFHSA-N -1 0 243.303 2.251 50 0 BEAARM O=C([O-])CN(C(=O)C1CCC1)C1CCCCC1 ZINC000097228640 344099846 /nfs/dbraw/zinc/09/98/46/344099846.db2.gz WBSWDOSXRXXOIE-UHFFFAOYSA-N -1 0 239.315 2.032 50 0 BEAARM O=C([O-])c1nccc2c1ncn2-c1ccccc1 ZINC000514268414 344150205 /nfs/dbraw/zinc/15/02/05/344150205.db2.gz MIWUWIZZVIPJTR-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM CC(C)(C)n1cc(Br)c(C(=O)[O-])n1 ZINC000148956974 344380646 /nfs/dbraw/zinc/38/06/46/344380646.db2.gz VXTHTIHMMDDRIY-UHFFFAOYSA-N -1 0 247.092 2.099 50 0 BEAARM O=S(=O)([N-]c1nccs1)c1cccs1 ZINC000011615781 344389276 /nfs/dbraw/zinc/38/92/76/344389276.db2.gz QCZOBWPJWSPRIQ-UHFFFAOYSA-N -1 0 246.338 2.005 50 0 BEAARM COc1cccc2c1N[C@H](C(=O)[O-])[C@H]1C=CC[C@H]21 ZINC000072233448 344519267 /nfs/dbraw/zinc/51/92/67/344519267.db2.gz OJDYITLUNFCOOS-DVYJOKAKSA-N -1 0 245.278 2.234 50 0 BEAARM COc1n[nH]c(-c2cccc([C@H](C)OC)c2)n1 ZINC000426421057 344744159 /nfs/dbraw/zinc/74/41/59/344744159.db2.gz DWPOMLCOYSRAIR-QMMMGPOBSA-N -1 0 233.271 2.188 50 0 BEAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccccc1 ZINC000050194873 187294822 /nfs/dbraw/zinc/29/48/22/187294822.db2.gz ZURZHRZIYKWHSE-UHFFFAOYSA-N -1 0 235.283 2.060 50 0 BEAARM CCCc1cc(=O)[nH]c(SC(C)C)n1 ZINC000005154752 344980369 /nfs/dbraw/zinc/98/03/69/344980369.db2.gz ONAPFSOGVNPWER-UHFFFAOYSA-N -1 0 212.318 2.223 50 0 BEAARM C=C(c1ccccc1)C1SC(=O)[N-]C1=O ZINC000001515347 187301479 /nfs/dbraw/zinc/30/14/79/187301479.db2.gz YLTRHCGCTZECOC-VQHVLOKHSA-N -1 0 219.265 2.401 50 0 BEAARM CCCC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000028167002 537900309 /nfs/dbraw/zinc/90/03/09/537900309.db2.gz GHQIXBHPQQGSOM-LBPRGKRZSA-N -1 0 247.294 2.286 50 0 BEAARM Cc1cccc(-n2cc(C(=O)[O-])c(=O)cc2C)c1 ZINC000020219178 179000391 /nfs/dbraw/zinc/00/03/91/179000391.db2.gz GXSVJHDXYPOFSD-UHFFFAOYSA-N -1 0 243.262 2.153 50 0 BEAARM C/C=C/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000206561652 187317060 /nfs/dbraw/zinc/31/70/60/187317060.db2.gz FYCRGIYUOLGKQR-IAROGAJJSA-N -1 0 231.251 2.456 50 0 BEAARM Cc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000011890167 179023351 /nfs/dbraw/zinc/02/33/51/179023351.db2.gz NXVNYFBAKNMHHU-GFCCVEGCSA-N -1 0 249.310 2.224 50 0 BEAARM Cc1cccc(C)c1[N-]c1nnns1 ZINC000000515495 179044754 /nfs/dbraw/zinc/04/47/54/179044754.db2.gz BDSULTHUPKQBMV-UHFFFAOYSA-N -1 0 206.274 2.294 50 0 BEAARM O=C1[N-]C(=O)[C@@H](Nc2ccc(Cl)cc2)S1 ZINC000001091487 346434687 /nfs/dbraw/zinc/43/46/87/346434687.db2.gz DQBXBOUJTSPXCZ-QMMMGPOBSA-N -1 0 242.687 2.061 50 0 BEAARM Cc1cccc(NC(=O)C2CCC2)c1C(=O)[O-] ZINC000000152163 179126893 /nfs/dbraw/zinc/12/68/93/179126893.db2.gz NLJVKXQGKYTASO-UHFFFAOYSA-N -1 0 233.267 2.432 50 0 BEAARM Cc1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000004865518 179151287 /nfs/dbraw/zinc/15/12/87/179151287.db2.gz CGAZDHMQNDKZST-UHFFFAOYSA-N -1 0 239.218 2.257 50 0 BEAARM CCOC(=O)c1cc(C(=O)[O-])cc2[nH]ccc21 ZINC000168768792 346742972 /nfs/dbraw/zinc/74/29/72/346742972.db2.gz OQSYZAVLPRNTNN-UHFFFAOYSA-N -1 0 233.223 2.043 50 0 BEAARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C ZINC000017832024 179241012 /nfs/dbraw/zinc/24/10/12/179241012.db2.gz JRTPIDPDVJYMAR-UHFFFAOYSA-N -1 0 202.257 2.091 50 0 BEAARM Cc1ccccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000021951221 179246838 /nfs/dbraw/zinc/24/68/38/179246838.db2.gz CQNZFMNCMRSHAK-LBPRGKRZSA-N -1 0 247.294 2.074 50 0 BEAARM Cc1ccccc1O[C@@H](C(=O)[O-])C(C)C ZINC000002555578 179313153 /nfs/dbraw/zinc/31/31/53/179313153.db2.gz IMBJQRVERAVKHV-LLVKDONJSA-N -1 0 208.257 2.483 50 0 BEAARM O=C1[N-]C(=O)C(=CC=Cc2ccccc2)N1 ZINC000016713084 362914795 /nfs/dbraw/zinc/91/47/95/362914795.db2.gz CCRLFSLWIUEERQ-DODKFZKMSA-N -1 0 214.224 2.263 50 0 BEAARM Cc1nc(-c2ccncc2)sc1C(=O)[O-] ZINC000001397284 179870275 /nfs/dbraw/zinc/87/02/75/179870275.db2.gz WAIPVXWDQQHMQG-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 in-vitro BEAARM Cc1nc2ccccc2n1C[C@H](C)C(=O)[O-] ZINC000006677760 180103488 /nfs/dbraw/zinc/10/34/88/180103488.db2.gz NCUQGGHIAQQHRV-QMMMGPOBSA-N -1 0 218.256 2.065 50 0 BEAARM Cc1nc2ccccc2n1C[C@@H](C)C(=O)[O-] ZINC000006677759 180103874 /nfs/dbraw/zinc/10/38/74/180103874.db2.gz NCUQGGHIAQQHRV-MRVPVSSYSA-N -1 0 218.256 2.065 50 0 BEAARM O=C([O-])c1nc(Br)sc1C1CC1 ZINC000098095485 191061605 /nfs/dbraw/zinc/06/16/05/191061605.db2.gz RTRDSWYJZRWTQI-UHFFFAOYSA-N -1 0 248.101 2.481 50 0 BEAARM Nc1cc(C=O)ccc1-c1ccc(C(=O)[O-])o1 ZINC000725261199 538086059 /nfs/dbraw/zinc/08/60/59/538086059.db2.gz UFLXPRDXTXEZKF-UHFFFAOYSA-N -1 0 231.207 2.040 50 0 BEAARM O=Cc1cc(-c2ccc(C(=O)[O-])s2)ccn1 ZINC000725261138 538086087 /nfs/dbraw/zinc/08/60/87/538086087.db2.gz PHOHCNYHFWHXBM-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM Cc1ncsc1-c1c[nH]cc1C(=O)[O-] ZINC000084149177 180302390 /nfs/dbraw/zinc/30/23/90/180302390.db2.gz UYRUHJNDDVCTJA-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])CC1(C)C ZINC000601014773 350329690 /nfs/dbraw/zinc/32/96/90/350329690.db2.gz GMQVSLJAKDZSFE-LBPRGKRZSA-N -1 0 243.303 2.012 50 0 BEAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C ZINC000100072227 180328516 /nfs/dbraw/zinc/32/85/16/180328516.db2.gz PUOWMAZPTQYMCL-UHFFFAOYSA-N -1 0 206.220 2.334 50 0 BEAARM Cc1nn(-c2ccccc2F)cc1C(=O)[O-] ZINC000036894449 180330747 /nfs/dbraw/zinc/33/07/47/180330747.db2.gz ZCZUPCVKKLCWEO-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=C([O-])c1cccc(NCc2ccccn2)c1 ZINC000032015527 350406418 /nfs/dbraw/zinc/40/64/18/350406418.db2.gz XOILKTOEBUSZDU-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM Cc1oc(-c2ccccc2F)nc1CC(=O)[O-] ZINC000049632720 180527954 /nfs/dbraw/zinc/52/79/54/180527954.db2.gz SAQNRUGKDHDBBC-UHFFFAOYSA-N -1 0 235.214 2.416 50 0 BEAARM O=C([O-])c1ccc2c(c1)nnn2-c1ccccc1 ZINC000000991691 350975419 /nfs/dbraw/zinc/97/54/19/350975419.db2.gz ZRBNFLMTDGWTRA-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM CCOc1c(F)c(F)c(C(=O)[O-])c(F)c1F ZINC000005905975 351300779 /nfs/dbraw/zinc/30/07/79/351300779.db2.gz XSRAARBUDMRTGR-UHFFFAOYSA-N -1 0 238.136 2.340 50 0 BEAARM Cn1cc(C(=O)[O-])c(C2CCCCC2)n1 ZINC000037367245 180635654 /nfs/dbraw/zinc/63/56/54/180635654.db2.gz LSVWZGCNANSDGR-UHFFFAOYSA-N -1 0 208.261 2.166 50 0 BEAARM CC(C)COc1ccc(CC(=O)[O-])cc1 ZINC000019843611 187590106 /nfs/dbraw/zinc/59/01/06/187590106.db2.gz APXLSLWSMWRTTL-UHFFFAOYSA-N -1 0 208.257 2.349 50 0 BEAARM COc1ccc(CCCC(=O)[O-])cc1C ZINC000000315289 187583331 /nfs/dbraw/zinc/58/33/31/187583331.db2.gz CWNPAVGNPUYSNX-UHFFFAOYSA-N -1 0 208.257 2.411 50 0 BEAARM CC(=O)C1=C([O-])[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O ZINC000019939873 187659432 /nfs/dbraw/zinc/65/94/32/187659432.db2.gz IOWYFQZIOCASML-MJVIPROJSA-N -1 0 234.295 2.096 50 0 BEAARM Cc1c(Cl)cccc1NC(=O)/C=C\C(=O)[O-] ZINC000031719679 187666910 /nfs/dbraw/zinc/66/69/10/187666910.db2.gz GGPZGIFCMBKQJS-WAYWQWQTSA-N -1 0 239.658 2.228 50 0 BEAARM Cn1ccnc1SCc1ccc(C(=O)[O-])o1 ZINC000011851390 180754402 /nfs/dbraw/zinc/75/44/02/180754402.db2.gz OOYSVVKAMYDYRF-UHFFFAOYSA-N -1 0 238.268 2.004 50 0 BEAARM Nc1ccc([C@H](CC(=O)[O-])n2cccc2)cc1 ZINC000004052852 352633063 /nfs/dbraw/zinc/63/30/63/352633063.db2.gz WENHWQURZXLMAE-LBPRGKRZSA-N -1 0 230.267 2.134 50 0 BEAARM O=C([O-])c1ncccc1-c1ccc(O)cc1 ZINC000065347121 187958523 /nfs/dbraw/zinc/95/85/23/187958523.db2.gz QAFZJUFXDWLAJU-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])C1CC(O)(c2ccc(Cl)cc2)C1 ZINC000096024017 187975173 /nfs/dbraw/zinc/97/51/73/187975173.db2.gz FLCBXWHHAZRVRQ-UHFFFAOYSA-N -1 0 226.659 2.022 50 0 BEAARM COc1ccc(O)c(C(=O)N2CCCC[C@H]2C)c1 ZINC000032903742 188050759 /nfs/dbraw/zinc/05/07/59/188050759.db2.gz OEDYGYSGFARSJF-SNVBAGLBSA-N -1 0 249.310 2.415 50 0 BEAARM O=[S@@]([O-])c1ccc(F)c(Br)c1 ZINC000162613044 538111869 /nfs/dbraw/zinc/11/18/69/538111869.db2.gz NZAOGDXECQXJJD-UHFFFAOYSA-N -1 0 239.065 2.169 50 0 BEAARM CC(C)CS(=O)(=O)Nc1ccc(F)cc1F ZINC000000256260 188272437 /nfs/dbraw/zinc/27/24/37/188272437.db2.gz PEUWWVLMXJMIMJ-UHFFFAOYSA-N -1 0 249.282 2.363 50 0 BEAARM O=C([O-])C(Cc1cccc2ccccc21)C(=O)[O-] ZINC000000155619 188272547 /nfs/dbraw/zinc/27/25/47/188272547.db2.gz PPGPMQFIQPVBGY-UHFFFAOYSA-N -1 0 244.246 2.168 50 0 BEAARM CC1(C)[C@@]2(C)CC[C@]1(C)[C@H](CC(=O)[O-])[C@H]2O ZINC000039570805 188292200 /nfs/dbraw/zinc/29/22/00/188292200.db2.gz JCOFTFYOJOBBQY-DXLKZPDWSA-N -1 0 226.316 2.284 50 0 BEAARM Nc1ccc([S-])c(Br)c1 ZINC000043597888 188295067 /nfs/dbraw/zinc/29/50/67/188295067.db2.gz DXZLYROLTUXSQW-UHFFFAOYSA-N -1 0 204.092 2.320 50 0 BEAARM O=C([O-])c1nc2ccccc2c(OCC2CC2)n1 ZINC000095347867 188319008 /nfs/dbraw/zinc/31/90/08/188319008.db2.gz FLWJDDRNYMMTJT-UHFFFAOYSA-N -1 0 244.250 2.117 50 0 BEAARM O=C([O-])c1ccccc1NN=Cc1cccnc1 ZINC000252477551 363342083 /nfs/dbraw/zinc/34/20/83/363342083.db2.gz QPWOIBNZYKTSLA-UHFFFAOYSA-N -1 0 241.250 2.226 50 0 BEAARM O=C([O-])c1ccnc([C@@H]2CCCCC2=O)c1 ZINC000004228186 354380480 /nfs/dbraw/zinc/38/04/80/354380480.db2.gz PZJPDEBEAYCCIA-VIFPVBQESA-N -1 0 219.240 2.007 50 0 BEAARM CC(C)c1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675058005 538480671 /nfs/dbraw/zinc/48/06/71/538480671.db2.gz UPGBFHHGVMSFDT-UHFFFAOYSA-N -1 0 220.228 2.491 50 0 BEAARM CCc1onc(-c2ccc(C)cn2)c1C(=O)[O-] ZINC000675057907 538480932 /nfs/dbraw/zinc/48/09/32/538480932.db2.gz QXVMGJBUKDQNRV-UHFFFAOYSA-N -1 0 232.239 2.306 50 0 BEAARM CC[C@@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000223877556 538594556 /nfs/dbraw/zinc/59/45/56/538594556.db2.gz PYRCSMBDTADRGF-SNVBAGLBSA-N -1 0 228.288 2.031 50 0 BEAARM Cc1ccccc1-c1cnc(C(=O)[O-])nc1 ZINC000221648919 538566481 /nfs/dbraw/zinc/56/64/81/538566481.db2.gz WMIKJMDRMFURQQ-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000221649057 538566628 /nfs/dbraw/zinc/56/66/28/538566628.db2.gz MVDMWGSKCCBQCZ-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1c(Cl)cccc1NC(=O)/C=C/C(=O)[O-] ZINC000001606285 357001432 /nfs/dbraw/zinc/00/14/32/357001432.db2.gz GGPZGIFCMBKQJS-AATRIKPKSA-N -1 0 239.658 2.228 50 0 BEAARM COc1cccc2c(CC(=O)[O-])coc21 ZINC000008495733 359987648 /nfs/dbraw/zinc/98/76/48/359987648.db2.gz YECIFNKYUBNXQR-UHFFFAOYSA-N -1 0 206.197 2.069 50 0 BEAARM Cc1cc(Br)cc([S@](=O)[O-])c1 ZINC000306538499 360401155 /nfs/dbraw/zinc/40/11/55/360401155.db2.gz SUNBQPJGPZRXFB-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM CC(C)Cc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000095955706 219839807 /nfs/dbraw/zinc/83/98/07/219839807.db2.gz WDOXFEXFAKFIOO-SNVBAGLBSA-N -1 0 249.310 2.088 50 0 BEAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(C)c(C)c1 ZINC000006846188 360992922 /nfs/dbraw/zinc/99/29/22/360992922.db2.gz FFPJSPSNMLPERS-JXMROGBWSA-N -1 0 233.267 2.273 50 0 BEAARM C[C@H](NC(=O)CCCC(=O)[O-])C1=CCCCC1 ZINC000426502834 200990233 /nfs/dbraw/zinc/99/02/33/200990233.db2.gz DNZMYWYQKTWVFH-JTQLQIEISA-N -1 0 239.315 2.246 50 0 BEAARM Nc1ccc(C#Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000113407075 368341475 /nfs/dbraw/zinc/34/14/75/368341475.db2.gz XETDUQSABYXZNK-UHFFFAOYSA-N -1 0 237.258 2.367 50 0 BEAARM Nc1ccccc1-c1ccc(C(=O)[O-])o1 ZINC000028564324 181749969 /nfs/dbraw/zinc/74/99/69/181749969.db2.gz ASHCVWNDCDTTGF-UHFFFAOYSA-N -1 0 203.197 2.227 50 0 BEAARM Cn1nc(C=Cc2ccccc2)c(=O)[n-]c1=S ZINC000230238666 371877209 /nfs/dbraw/zinc/87/72/09/371877209.db2.gz WHMNGJQJCASEHY-FPLPWBNLSA-N -1 0 245.307 2.008 50 0 BEAARM O=C([O-])COc1c(F)cccc1Br ZINC000217956348 372034621 /nfs/dbraw/zinc/03/46/21/372034621.db2.gz ZSWFWYLIUGUFHJ-UHFFFAOYSA-N -1 0 249.035 2.052 50 0 BEAARM CO[C@@]1(c2ccccc2)C[C@]12C[C@]2(C)C(=O)[O-] ZINC000004025344 372119438 /nfs/dbraw/zinc/11/94/38/372119438.db2.gz NEWSMEZTKJNJKD-HZSPNIEDSA-N -1 0 232.279 2.413 50 0 biogenic BEAARM Cn1c(C(=O)[O-])ccc1-c1cccs1 ZINC000041215754 374121434 /nfs/dbraw/zinc/12/14/34/374121434.db2.gz GGYXGHWXFDKWDA-UHFFFAOYSA-N -1 0 207.254 2.452 50 0 BEAARM O=C([N-]Cc1ccc(F)cc1)C(F)(F)F ZINC000003093750 182250668 /nfs/dbraw/zinc/25/06/68/182250668.db2.gz NFBVACBHJWDSQC-UHFFFAOYSA-N -1 0 221.153 2.004 50 0 BEAARM O=C([O-])[C@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000022142967 182285086 /nfs/dbraw/zinc/28/50/86/182285086.db2.gz SYOBZRCRSSQUOI-GFCCVEGCSA-N -1 0 247.294 2.119 50 0 BEAARM O=C([O-])c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000022175642 182350306 /nfs/dbraw/zinc/35/03/06/182350306.db2.gz FQCVFLREJNHLLH-UHFFFAOYSA-N -1 0 249.197 2.369 50 0 BEAARM O=C([O-])c1ccc(NC(=O)c2ccccc2)cn1 ZINC000013451043 182352357 /nfs/dbraw/zinc/35/23/57/182352357.db2.gz AUERTVOXUKIHOV-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])CCC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000067947134 182434202 /nfs/dbraw/zinc/43/42/02/182434202.db2.gz BSDJGMFUAYMJSQ-UHFFFAOYSA-N -1 0 244.250 2.124 50 0 BEAARM O=C([O-])CNc1ccccc1C(F)(F)F ZINC000057332622 182468451 /nfs/dbraw/zinc/46/84/51/182468451.db2.gz JKMBAEJKBSMULR-UHFFFAOYSA-N -1 0 219.162 2.202 50 0 BEAARM O=C([O-])CSc1ccc2ccccc2n1 ZINC000000324466 182474051 /nfs/dbraw/zinc/47/40/51/182474051.db2.gz WOZJGFBFMIWEGN-UHFFFAOYSA-N -1 0 219.265 2.412 50 0 BEAARM O=C([O-])Cc1c(F)cccc1C(F)(F)F ZINC000004265130 182487485 /nfs/dbraw/zinc/48/74/85/182487485.db2.gz ZVXIGDPHHXXMMF-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM O=C([O-])Cc1cc(Br)ccc1F ZINC000012954300 182488822 /nfs/dbraw/zinc/48/88/22/182488822.db2.gz WSWMCZBGQYAYIS-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM O=C([O-])Cc1ccc2c(c1)Cc1cccnc1O2 ZINC000001564118 182491822 /nfs/dbraw/zinc/49/18/22/182491822.db2.gz KFCLXFOOVXFBNL-UHFFFAOYSA-N -1 0 241.246 2.405 50 0 BEAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)c2ccccc21 ZINC000133860242 182516635 /nfs/dbraw/zinc/51/66/35/182516635.db2.gz ULPOUDXWZKZZPD-LLVKDONJSA-N -1 0 245.278 2.002 50 0 BEAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000051603041 182508442 /nfs/dbraw/zinc/50/84/42/182508442.db2.gz VGQWCHXBPIFMTI-SNVBAGLBSA-N -1 0 239.315 2.032 50 0 BEAARM O=C([O-])c1cc(=O)c2cc(Cl)ccc2o1 ZINC000000480089 182551755 /nfs/dbraw/zinc/55/17/55/182551755.db2.gz HALQFUWRVXLBIS-UHFFFAOYSA-N -1 0 224.599 2.145 50 0 BEAARM O=C([O-])c1cc(Cl)cnc1C(F)F ZINC000095630904 182554521 /nfs/dbraw/zinc/55/45/21/182554521.db2.gz SAGNXMZHTBLRID-UHFFFAOYSA-N -1 0 207.563 2.371 50 0 BEAARM O=C([O-])c1cc(F)cc(Br)c1F ZINC000095930272 182555684 /nfs/dbraw/zinc/55/56/84/182555684.db2.gz SRZCLFLALXTCLA-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])c1cc2c(cn1)[nH]c1ccccc12 ZINC000020104435 182558891 /nfs/dbraw/zinc/55/88/91/182558891.db2.gz ARLVFKCLBYUINL-UHFFFAOYSA-N -1 0 212.208 2.414 50 0 BEAARM O=C([O-])c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000098210206 182563245 /nfs/dbraw/zinc/56/32/45/182563245.db2.gz XEKGXUYBNOOCBV-UHFFFAOYSA-N -1 0 240.165 2.372 50 0 BEAARM O=C([O-])c1ccc(NCc2cccnc2)cc1 ZINC000000516880 182569047 /nfs/dbraw/zinc/56/90/47/182569047.db2.gz ZLMNETCOHNPJOE-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])c1ccc(OCC2CCOCC2)cc1 ZINC000020357726 182571192 /nfs/dbraw/zinc/57/11/92/182571192.db2.gz BWOSOGFEOBIKIY-UHFFFAOYSA-N -1 0 236.267 2.190 50 0 BEAARM O=C([O-])c1ccccc1OCC(F)(F)F ZINC000012394768 182582372 /nfs/dbraw/zinc/58/23/72/182582372.db2.gz HNVXZKNHBRXZSH-UHFFFAOYSA-N -1 0 220.146 2.326 50 0 BEAARM O=C([O-])c1ccnc(Br)c1Cl ZINC000049581124 182584905 /nfs/dbraw/zinc/58/49/05/182584905.db2.gz GWSHXCWLVTUTEE-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1cccnc1SCc1ccccn1 ZINC000005800747 182585140 /nfs/dbraw/zinc/58/51/40/182585140.db2.gz GQDPNCISYDIVST-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=C([O-])c1cccnc1SCc1ccncc1 ZINC000003913729 182585365 /nfs/dbraw/zinc/58/53/65/182585365.db2.gz WQBWIIZVSAFRJE-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=C([O-])c1ccoc1CSC(F)F ZINC000020281595 182585806 /nfs/dbraw/zinc/58/58/06/182585806.db2.gz WGCGYFVAXAWGDY-UHFFFAOYSA-N -1 0 208.185 2.434 50 0 BEAARM O=C([O-])c1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000037362523 182588035 /nfs/dbraw/zinc/58/80/35/182588035.db2.gz IWNHLYGNTGDUNG-UHFFFAOYSA-N -1 0 247.275 2.443 50 0 BEAARM O=C([O-])c1nnc(-c2ccc(F)cc2)s1 ZINC000083321633 182597734 /nfs/dbraw/zinc/59/77/34/182597734.db2.gz REUPNRSSQGDMSI-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM O=S(=O)([O-])c1cccc2ccccc21 ZINC000001651920 182903492 /nfs/dbraw/zinc/90/34/92/182903492.db2.gz PSZYNBSKGUBXEH-UHFFFAOYSA-N -1 0 208.238 2.087 50 0 in-vitro BEAARM CCCCn1c(=O)c2[nH]c(C)cc2[n-]c1=S ZINC000101333024 169032884 /nfs/dbraw/zinc/03/28/84/169032884.db2.gz VRDKXWYTUVTTGD-UHFFFAOYSA-N -1 0 237.328 2.496 50 0 BEAARM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC000069551909 169043409 /nfs/dbraw/zinc/04/34/09/169043409.db2.gz HJFHLUQGWPTHMM-QMMMGPOBSA-N -1 0 231.292 2.107 50 0 BEAARM [O-]c1ccc(Br)c(F)c1F ZINC000012359201 183267092 /nfs/dbraw/zinc/26/70/92/183267092.db2.gz JZAVCMMYGSROJP-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=c1nc(-c2ccc(Br)cc2)[n-]o1 ZINC000020159575 183306161 /nfs/dbraw/zinc/30/61/61/183306161.db2.gz INJVJPDDSBYUMW-UHFFFAOYSA-N -1 0 241.044 2.205 50 0 BEAARM S=c1[n-]nnn1-c1cccc2ccccc21 ZINC000001603225 183316442 /nfs/dbraw/zinc/31/64/42/183316442.db2.gz QUFRGNOIJAGRFY-UHFFFAOYSA-N -1 0 228.280 2.104 50 0 BEAARM CCC[C@](C)(NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000097017860 169549203 /nfs/dbraw/zinc/54/92/03/169549203.db2.gz AIXZFYVWZLZFTF-XOVSCCBYSA-N -1 0 241.331 2.348 50 0 BEAARM CCCc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000016971764 169571416 /nfs/dbraw/zinc/57/14/16/169571416.db2.gz IPIUQFOIZIOYJM-UHFFFAOYSA-N -1 0 235.283 2.442 50 0 BEAARM CCCc1ccc(O)c(C(=O)CCC(=O)[O-])c1 ZINC000000157808 169572212 /nfs/dbraw/zinc/57/22/12/169572212.db2.gz SGEHDJNEVSBHKO-UHFFFAOYSA-N -1 0 236.267 2.392 50 0 BEAARM O=C([O-])CCCC(=O)c1ccc(F)cc1 ZINC000000058260 383822023 /nfs/dbraw/zinc/82/20/23/383822023.db2.gz ZBQROUOOMAMCQW-UHFFFAOYSA-N -1 0 210.204 2.263 50 0 in-vitro BEAARM O=C([O-])CCOc1cccc(Cl)c1 ZINC000000335953 383856804 /nfs/dbraw/zinc/85/68/04/383856804.db2.gz QSGKVNYPPAQLDO-UHFFFAOYSA-N -1 0 200.621 2.194 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1-n1cccc1 ZINC000000452862 383867540 /nfs/dbraw/zinc/86/75/40/383867540.db2.gz OFNPBYYSTKWMRV-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM Cc1nc(C(=O)[O-])nn1-c1ccccc1C(C)C ZINC000036879067 383916478 /nfs/dbraw/zinc/91/64/78/383916478.db2.gz OGFQDTKKGMBXQU-UHFFFAOYSA-N -1 0 245.282 2.397 50 0 BEAARM O=C([O-])CCc1cccc(Br)c1 ZINC000002574308 383977957 /nfs/dbraw/zinc/97/79/57/383977957.db2.gz DWKWMFSWLCIMKI-UHFFFAOYSA-N -1 0 229.073 2.466 50 0 BEAARM O=C([O-])CN(Cc1cccnc1)c1ccccc1 ZINC000037595471 383986143 /nfs/dbraw/zinc/98/61/43/383986143.db2.gz ZISJGPWJGIDDGX-UHFFFAOYSA-N -1 0 242.278 2.173 50 0 BEAARM CCOP(=O)(CCCC(=O)[O-])OCC ZINC000002569176 383975820 /nfs/dbraw/zinc/97/58/20/383975820.db2.gz LCHMQUIASGRBNV-UHFFFAOYSA-N -1 0 224.193 2.117 50 0 BEAARM CC(C(=O)[O-])(C(F)(F)F)C(F)(F)F ZINC000002560082 383977015 /nfs/dbraw/zinc/97/70/15/383977015.db2.gz OIUKKVROQZMVDV-UHFFFAOYSA-N -1 0 210.073 2.202 50 0 BEAARM O=C([O-])/C=C/c1cnn(Cc2ccccc2)c1 ZINC000004218373 384046911 /nfs/dbraw/zinc/04/69/11/384046911.db2.gz NVXSZZZOLFQEKP-VOTSOKGWSA-N -1 0 228.251 2.029 50 0 BEAARM O=C([O-])/C=C/C1=Cc2ccccc2OC1 ZINC000004218626 384048107 /nfs/dbraw/zinc/04/81/07/384048107.db2.gz WYQKZHBKUXLNAR-AATRIKPKSA-N -1 0 202.209 2.103 50 0 BEAARM O=C([O-])CCSc1ccccc1F ZINC000004218858 384048222 /nfs/dbraw/zinc/04/82/22/384048222.db2.gz JPMXZLIXJBBIGL-UHFFFAOYSA-N -1 0 200.234 2.393 50 0 BEAARM O=C([O-])Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000004092670 384037784 /nfs/dbraw/zinc/03/77/84/384037784.db2.gz SUVXWDJZJAVWEA-UHFFFAOYSA-N -1 0 238.630 2.017 50 0 BEAARM C[C@](O)(C(=O)[O-])c1cc2ccccc2s1 ZINC000004088374 384039204 /nfs/dbraw/zinc/03/92/04/384039204.db2.gz MEKMIZIZABFUNJ-LLVKDONJSA-N -1 0 222.265 2.193 50 0 BEAARM O=C([O-])CCCC(=O)NCCC1=CCCCC1 ZINC000004784099 384080888 /nfs/dbraw/zinc/08/08/88/384080888.db2.gz QOBXQFJYTSEXEM-UHFFFAOYSA-N -1 0 239.315 2.248 50 0 BEAARM O=C([O-])[C@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000005185010 384106457 /nfs/dbraw/zinc/10/64/57/384106457.db2.gz CKUDLTYVRYZFGB-JTQLQIEISA-N -1 0 239.315 2.032 50 0 BEAARM COc1cc(C(=O)[O-])nc2c(F)cc(F)cc12 ZINC000070451513 384107434 /nfs/dbraw/zinc/10/74/34/384107434.db2.gz LEMSICSKYHTPOY-UHFFFAOYSA-N -1 0 239.177 2.220 50 0 BEAARM O=C([O-])c1cc(F)cc(OC(F)(F)F)c1 ZINC000091252015 384108153 /nfs/dbraw/zinc/10/81/53/384108153.db2.gz RPEBABGCYLHTAK-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM COc1cc(F)c(Br)cc1C(=O)[O-] ZINC000091297309 384115973 /nfs/dbraw/zinc/11/59/73/384115973.db2.gz OQXNSLHCYIUEDO-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM COc1cc(C)c(C(=O)[O-])cc1Br ZINC000116467697 384140269 /nfs/dbraw/zinc/14/02/69/384140269.db2.gz ZCAQDNLMTZJPKO-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)CCCC2 ZINC000006668222 384162770 /nfs/dbraw/zinc/16/27/70/384162770.db2.gz BEYMWPBZSXBCHX-UHFFFAOYSA-N -1 0 247.294 2.369 50 0 BEAARM Cc1cc(O)c2c(=O)c3ccoc3c([O-])c-2o1 ZINC000071774259 384178522 /nfs/dbraw/zinc/17/85/22/384178522.db2.gz CIBFAQUMPICIOG-UHFFFAOYSA-N -1 0 232.191 2.259 50 0 BEAARM CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000072232933 384202081 /nfs/dbraw/zinc/20/20/81/384202081.db2.gz HKDLSKFRNMSGJO-UHFFFAOYSA-N -1 0 245.319 2.401 50 0 BEAARM O=C([O-])CO[C@@H]1CCCC[C@@H]1c1ccco1 ZINC000008782696 384218569 /nfs/dbraw/zinc/21/85/69/384218569.db2.gz YRIFQKJPPZNCIK-MWLCHTKSSA-N -1 0 224.256 2.407 50 0 BEAARM O=C([O-])CC(=O)Nc1cc(Cl)ccc1Cl ZINC000009304551 384242907 /nfs/dbraw/zinc/24/29/07/384242907.db2.gz RYFHZLYMWVCVCJ-UHFFFAOYSA-N -1 0 248.065 2.407 50 0 BEAARM Cc1cc(C)c2c(c1)[nH]c(=O)cc2C(=O)[O-] ZINC000009556458 384260184 /nfs/dbraw/zinc/26/01/84/384260184.db2.gz FSJHOQBEQVNFSJ-UHFFFAOYSA-N -1 0 217.224 2.255 50 0 BEAARM CC/C=C\C[C@@H]1[C@@H](O)CC[C@H]1CC(=O)[O-] ZINC000034116627 384261378 /nfs/dbraw/zinc/26/13/78/384261378.db2.gz LYSGIJUGUGJIPS-GELAFUPQSA-N -1 0 212.289 2.205 50 0 BEAARM O=C([O-])CCc1ccc(O)c(Cl)c1 ZINC000043476834 384278516 /nfs/dbraw/zinc/27/85/16/384278516.db2.gz WCFMGDDKGCCBRK-UHFFFAOYSA-N -1 0 200.621 2.063 50 0 BEAARM CCCc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000098128505 384297425 /nfs/dbraw/zinc/29/74/25/384297425.db2.gz XUILLAJDNCJWIA-UHFFFAOYSA-N -1 0 249.310 2.234 50 0 BEAARM Cc1cc(C)c(C)c(OCCC(=O)[O-])c1 ZINC000011799650 384298897 /nfs/dbraw/zinc/29/88/97/384298897.db2.gz IYKHBSNWWZFYFY-UHFFFAOYSA-N -1 0 208.257 2.465 50 0 BEAARM O=C([O-])Cc1scnc1-c1cccs1 ZINC000011847791 384299355 /nfs/dbraw/zinc/29/93/55/384299355.db2.gz OMHIDWGLBZERPL-UHFFFAOYSA-N -1 0 225.294 2.499 50 0 BEAARM O=C([O-])CCCn1c2ccccc2[nH]c1=S ZINC000075953459 384348994 /nfs/dbraw/zinc/34/89/94/384348994.db2.gz NNZJEMDMHCDBFK-UHFFFAOYSA-N -1 0 236.296 2.190 50 0 BEAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1C ZINC000164874157 384326092 /nfs/dbraw/zinc/32/60/92/384326092.db2.gz ZLOJMLAYRLCUQR-UHFFFAOYSA-N -1 0 247.294 2.041 50 0 BEAARM O=C([O-])Cn1c2ccccc2nc1-c1ccco1 ZINC000014611354 384396100 /nfs/dbraw/zinc/39/61/00/384396100.db2.gz YGKVEBIWOASSTL-UHFFFAOYSA-N -1 0 242.234 2.381 50 0 BEAARM CCOc1ccc(F)c(F)c1C(=O)[O-] ZINC000096029428 384421660 /nfs/dbraw/zinc/42/16/60/384421660.db2.gz LKUXFZWPJFDQGP-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM CCN(CCC(=O)[O-])c1ccc(F)cc1 ZINC000014001753 384380732 /nfs/dbraw/zinc/38/07/32/384380732.db2.gz NAVXIVMADDWGEM-UHFFFAOYSA-N -1 0 211.236 2.127 50 0 BEAARM O=C([O-])C(=O)c1c[nH]c2cccc(Cl)c12 ZINC000082362005 384457954 /nfs/dbraw/zinc/45/79/54/384457954.db2.gz HUSBDMYWWGMONW-UHFFFAOYSA-N -1 0 223.615 2.089 50 0 BEAARM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccn1 ZINC000051042750 384485453 /nfs/dbraw/zinc/48/54/53/384485453.db2.gz BWUGWDJYEOEIPY-SECBINFHSA-N -1 0 243.266 2.348 50 0 BEAARM C[C@H]1[C@H](C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000079041936 384482424 /nfs/dbraw/zinc/48/24/24/384482424.db2.gz TZNCDXAIDIETKV-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM Cc1nc(C(C)(C)C)[n-]c(=O)c1Cl ZINC000018192527 384500921 /nfs/dbraw/zinc/50/09/21/384500921.db2.gz HGECWXPAUPEQBT-UHFFFAOYSA-N -1 0 200.669 2.029 50 0 BEAARM O=C([O-])Cc1cc(Br)cs1 ZINC000019735940 384534264 /nfs/dbraw/zinc/53/42/64/384534264.db2.gz RQLBAXZWESSFHI-UHFFFAOYSA-N -1 0 221.075 2.138 50 0 BEAARM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000019423814 384522434 /nfs/dbraw/zinc/52/24/34/384522434.db2.gz KHXCNDVMASKGJY-HTRCEHHLSA-N -1 0 237.230 2.118 50 0 BEAARM Cc1cc(C)c2c(n1)sc1c2[n-]c(C)nc1=O ZINC000000209128 384524678 /nfs/dbraw/zinc/52/46/78/384524678.db2.gz AMKRXXGFODGQJE-UHFFFAOYSA-N -1 0 245.307 2.458 50 0 BEAARM COCCn1cc(CCC(=O)[O-])c2ccccc21 ZINC000020074665 384569718 /nfs/dbraw/zinc/56/97/18/384569718.db2.gz LLFFYRADJLCLMX-UHFFFAOYSA-N -1 0 247.294 2.305 50 0 BEAARM CC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@@H](C)C3 ZINC000101407169 384673134 /nfs/dbraw/zinc/67/31/34/384673134.db2.gz RDFVCFGNKZADIN-ZETCQYMHSA-N -1 0 243.262 2.027 50 0 BEAARM O=C(C=C([O-])c1ccccn1)c1ccco1 ZINC000100477499 384643016 /nfs/dbraw/zinc/64/30/16/384643016.db2.gz UOPXXVAHYNKLAA-UHFFFAOYSA-N -1 0 215.208 2.130 50 0 BEAARM O=C([O-])c1cc2c(ncnc2Cl)s1 ZINC000082967841 384731742 /nfs/dbraw/zinc/73/17/42/384731742.db2.gz ZWZIELMLHCTSQY-UHFFFAOYSA-N -1 0 214.633 2.043 50 0 BEAARM O=C([O-])[C@H]1CCC[C@@H]1Nc1ccccc1 ZINC000083985835 384825629 /nfs/dbraw/zinc/82/56/29/384825629.db2.gz CQPIDJWURGPHPG-QWRGUYRKSA-N -1 0 205.257 2.352 50 0 BEAARM O=C([O-])Cc1cc(-c2ccc(F)cc2F)on1 ZINC000026421067 384874438 /nfs/dbraw/zinc/87/44/38/384874438.db2.gz AKTIFKJPWGNOGG-UHFFFAOYSA-N -1 0 239.177 2.247 50 0 BEAARM Cc1nc[nH]c1CNc1cc(C(=O)[O-])ccc1C ZINC000054795783 384855508 /nfs/dbraw/zinc/85/55/08/384855508.db2.gz HWJMFNGYTLOLLC-UHFFFAOYSA-N -1 0 245.282 2.337 50 0 BEAARM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000057218722 384933105 /nfs/dbraw/zinc/93/31/05/384933105.db2.gz JKGLTCBDQLNFEM-UHFFFAOYSA-N -1 0 247.294 2.014 50 0 BEAARM Cc1ccc(N)c(SCCC(=O)[O-])c1 ZINC000085929945 384973986 /nfs/dbraw/zinc/97/39/86/384973986.db2.gz MSVMMVVOLSXVTI-UHFFFAOYSA-N -1 0 211.286 2.144 50 0 BEAARM O=C([O-])/C=C\C(=O)Nc1ccc2ccccc2c1 ZINC000031861581 385109649 /nfs/dbraw/zinc/10/96/49/385109649.db2.gz MJBXLSQXZHYTSR-FPLPWBNLSA-N -1 0 241.246 2.419 50 0 BEAARM Cc1ccnc(Nc2nc(CC(=O)[O-])cs2)c1 ZINC000031935597 385113960 /nfs/dbraw/zinc/11/39/60/385113960.db2.gz UJMPXEAURLPACL-UHFFFAOYSA-N -1 0 249.295 2.217 50 0 BEAARM O=C([O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000061674711 385128336 /nfs/dbraw/zinc/12/83/36/385128336.db2.gz RXNSIWMZXKBHEH-UHFFFAOYSA-N -1 0 238.258 2.250 50 0 BEAARM CC1(C)C[C@@H]1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000232852529 385897508 /nfs/dbraw/zinc/89/75/08/385897508.db2.gz AVDYREDAXRHUQI-SNVBAGLBSA-N -1 0 247.294 2.298 50 0 BEAARM O=C([O-])c1ccc(OCCC(F)(F)F)nc1 ZINC000098179762 386227647 /nfs/dbraw/zinc/22/76/47/386227647.db2.gz ICBDXIVWIBZJLB-UHFFFAOYSA-N -1 0 235.161 2.111 50 0 BEAARM O=C(C=C([O-])c1cccnc1)c1ccccc1O ZINC000100102621 386508277 /nfs/dbraw/zinc/50/82/77/386508277.db2.gz DFFMBOUEZILLNM-UHFFFAOYSA-N -1 0 241.246 2.243 50 0 BEAARM CC(C)(C)C1=NO[C@H]([P@](C)(=O)[O-])C1 ZINC000033901761 387117811 /nfs/dbraw/zinc/11/78/11/387117811.db2.gz GXUPUFYVANJJEN-SSDOTTSWSA-N -1 0 205.194 2.035 50 0 BEAARM O=C([O-])[C@@H]1CC12C(Cl)(Cl)C2(Cl)Cl ZINC000250656456 387165374 /nfs/dbraw/zinc/16/53/74/387165374.db2.gz OAXSBVCQAMQFKW-REOHCLBHSA-N -1 0 249.908 2.439 50 0 BEAARM C[C@@H](NC(=O)CCCC(=O)[O-])C1=CCCCC1 ZINC000426502835 387576416 /nfs/dbraw/zinc/57/64/16/387576416.db2.gz DNZMYWYQKTWVFH-SNVBAGLBSA-N -1 0 239.315 2.246 50 0 BEAARM Cc1cc(C)cc(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000075879843 177888722 /nfs/dbraw/zinc/88/87/22/177888722.db2.gz LEMHKXXBRQWIJI-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM Cc1cc(C)c(OCCC(=O)[O-])cc1C ZINC000071773440 177868736 /nfs/dbraw/zinc/86/87/36/177868736.db2.gz KXDZSWIPZSRTEO-UHFFFAOYSA-N -1 0 208.257 2.465 50 0 BEAARM Cc1c(NC(=O)[C@H]2C[C@H]2C)cccc1C(=O)[O-] ZINC000057351901 388357187 /nfs/dbraw/zinc/35/71/87/388357187.db2.gz TYGGYUZQLBNKGD-XCBNKYQSSA-N -1 0 233.267 2.288 50 0 BEAARM CC(C)(C)O[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000089694317 388360852 /nfs/dbraw/zinc/36/08/52/388360852.db2.gz HBEJGRVFVAXAEZ-LLVKDONJSA-N -1 0 249.310 2.084 50 0 BEAARM O=C([O-])c1cncc(-n2ncc3ccccc32)c1 ZINC000067856278 388406865 /nfs/dbraw/zinc/40/68/65/388406865.db2.gz LDDPNUJIVJEZKB-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM O=C([O-])CC[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000084848697 388568743 /nfs/dbraw/zinc/56/87/43/388568743.db2.gz QIDFEXAVLDVARN-GFCCVEGCSA-N -1 0 247.294 2.042 50 0 BEAARM CCCCC[C@H](NC(=O)C1CCCC1)C(=O)[O-] ZINC000095989704 388801677 /nfs/dbraw/zinc/80/16/77/388801677.db2.gz FIXYKUDPWWGLMB-NSHDSACASA-N -1 0 241.331 2.326 50 0 BEAARM O=C([O-])CCCC(=O)N1CCCc2ccccc21 ZINC000000473955 132313753 /nfs/dbraw/zinc/31/37/53/132313753.db2.gz DZRYMWSVIWUTEU-UHFFFAOYSA-N -1 0 247.294 2.221 50 0 BEAARM C[C@H]1CCCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000002527395 132315213 /nfs/dbraw/zinc/31/52/13/132315213.db2.gz OPDQXUZZPJEEHW-VIFPVBQESA-N -1 0 220.272 2.016 50 0 BEAARM CC1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000019731747 132326189 /nfs/dbraw/zinc/32/61/89/132326189.db2.gz YQPINMZQOZZKPY-UHFFFAOYSA-N -1 0 220.272 2.016 50 0 BEAARM O=C([O-])Cc1ccccc1N1CCCCC1 ZINC000020440439 132331675 /nfs/dbraw/zinc/33/16/75/132331675.db2.gz COWNBLYFQSSASM-UHFFFAOYSA-N -1 0 219.284 2.304 50 0 BEAARM Cc1csc([C@H]2CCCCN2CC(=O)[O-])n1 ZINC000261579202 135220041 /nfs/dbraw/zinc/22/00/41/135220041.db2.gz MFCAHOADNZYAIO-SECBINFHSA-N -1 0 240.328 2.063 50 0 BEAARM CC(=O)c1c([O-])c2cc(C)ccc2oc1=O ZINC000005730638 397870041 /nfs/dbraw/zinc/87/00/41/397870041.db2.gz VWFOZRZHVHVKRJ-UHFFFAOYSA-N -1 0 218.208 2.010 50 0 biogenic BEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)C ZINC000010778848 397952040 /nfs/dbraw/zinc/95/20/40/397952040.db2.gz ITNJBNSCALFBTK-UHFFFAOYSA-N -1 0 221.256 2.288 50 0 BEAARM CC(C)(C)/C=C\C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000492142018 398008346 /nfs/dbraw/zinc/00/83/46/398008346.db2.gz WBABEPNQENIECB-GQYWMQPJSA-N -1 0 239.315 2.054 50 0 BEAARM C[C@H](CC(=O)NCCCC(=O)[O-])C(C)(C)C ZINC000082627997 398067555 /nfs/dbraw/zinc/06/75/55/398067555.db2.gz NFDOOUNYLMBHEX-SECBINFHSA-N -1 0 229.320 2.040 50 0 BEAARM O=C([O-])[C@H]1COc2ccc(Br)cc21 ZINC000059540961 398075888 /nfs/dbraw/zinc/07/58/88/398075888.db2.gz YWYNFOBRXXTNHA-ZETCQYMHSA-N -1 0 243.056 2.010 50 0 BEAARM CC(C)CCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000035085188 166856190 /nfs/dbraw/zinc/85/61/90/166856190.db2.gz KTZBSVRZTIMLKQ-UHFFFAOYSA-N -1 0 235.283 2.161 50 0 BEAARM CC(C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000005171579 167088153 /nfs/dbraw/zinc/08/81/53/167088153.db2.gz LROYXAWNEVVRSV-UHFFFAOYSA-N -1 0 213.664 2.184 50 0 BEAARM CC(C)[C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000070122259 167352890 /nfs/dbraw/zinc/35/28/90/167352890.db2.gz NLFZMTUIFBFEFX-SNVBAGLBSA-N -1 0 249.310 2.293 50 0 BEAARM CC(C)c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000020281286 167631155 /nfs/dbraw/zinc/63/11/55/167631155.db2.gz ZJAXXKYWLRAINQ-LLVKDONJSA-N -1 0 247.294 2.248 50 0 BEAARM CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)[O-] ZINC000002601571 168149272 /nfs/dbraw/zinc/14/92/72/168149272.db2.gz HZKDWOYFFPADLZ-VQXHTEKXSA-N -1 0 241.331 2.038 50 0 BEAARM CCC(=O)C=C([O-])c1cc(C)ccc1O ZINC000000400165 168198272 /nfs/dbraw/zinc/19/82/72/168198272.db2.gz ZRNWZWSIKPXODY-UHFFFAOYSA-N -1 0 206.241 2.253 50 0 BEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000004237906 169945914 /nfs/dbraw/zinc/94/59/14/169945914.db2.gz FXOKZDRRFCNBDA-WCQYABFASA-N -1 0 247.294 2.071 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(OCC)cc1 ZINC000020475422 170197208 /nfs/dbraw/zinc/19/72/08/170197208.db2.gz TUIRQRHLTQSYCN-UHFFFAOYSA-N -1 0 236.267 2.221 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(F)ccc1F ZINC000016158268 170197415 /nfs/dbraw/zinc/19/74/15/170197415.db2.gz FLBIFWLBLQKDAE-UHFFFAOYSA-N -1 0 228.194 2.101 50 0 BEAARM CCOC([O-])=NC(=O)c1ccc(Cl)cc1 ZINC000000108046 170240771 /nfs/dbraw/zinc/24/07/71/170240771.db2.gz DREWEXLXJIRFQG-UHFFFAOYSA-N -1 0 227.647 2.226 50 0 BEAARM CCOC(=O)C1N=c2ccccc2=C1[O-] ZINC000100055772 170286556 /nfs/dbraw/zinc/28/65/56/170286556.db2.gz XSHRJOVZKKCTIU-UHFFFAOYSA-N -1 0 205.213 2.050 50 0 BEAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000000267061 411712561 /nfs/dbraw/zinc/71/25/61/411712561.db2.gz DKRBJCJLHMNGJG-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM CCOc1ccc(Cl)cc1C(=O)[O-] ZINC000002584143 170548439 /nfs/dbraw/zinc/54/84/39/170548439.db2.gz IVXINMFQXFEZGO-UHFFFAOYSA-N -1 0 200.621 2.437 50 0 BEAARM CCOc1cccc(C[C@H](C)C(=O)[O-])c1 ZINC000011976558 170580777 /nfs/dbraw/zinc/58/07/77/170580777.db2.gz LHHHNVSYSLFAJR-VIFPVBQESA-N -1 0 208.257 2.349 50 0 BEAARM CC[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000086860102 171154924 /nfs/dbraw/zinc/15/49/24/171154924.db2.gz DCNSLQDWJVZTBS-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000082164286 171167244 /nfs/dbraw/zinc/16/72/44/171167244.db2.gz SEUXPDHPZUFZFQ-NSHDSACASA-N -1 0 231.292 2.012 50 0 BEAARM CC[C@H](C)OC1CCC(C(=O)[O-])CC1 ZINC000160554827 171351602 /nfs/dbraw/zinc/35/16/02/171351602.db2.gz ITWGUQBIOFVUEC-IDKOKCKLSA-N -1 0 200.278 2.445 50 0 BEAARM CC[C@H](Sc1nc(C)cc(C)n1)C(=O)[O-] ZINC000000305594 171595697 /nfs/dbraw/zinc/59/56/97/171595697.db2.gz BXVJYKWWKYAQJQ-QMMMGPOBSA-N -1 0 226.301 2.049 50 0 BEAARM CCc1ccccc1C(=O)N(CC)[C@H](C)C(=O)[O-] ZINC000663125369 412387343 /nfs/dbraw/zinc/38/73/43/412387343.db2.gz QPMHMZZTTACXTL-SNVBAGLBSA-N -1 0 249.310 2.184 50 0 BEAARM CCc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000000874588 172013918 /nfs/dbraw/zinc/01/39/18/172013918.db2.gz LCCOHRNGRLWANS-MRVPVSSYSA-N -1 0 218.256 2.244 50 0 BEAARM CCn1cc(CNc2ccc(C(=O)[O-])cc2)cn1 ZINC000020353799 172175943 /nfs/dbraw/zinc/17/59/43/172175943.db2.gz GJLMFALQPDNQTK-UHFFFAOYSA-N -1 0 245.282 2.213 50 0 BEAARM COc1cc2c(cc1/C=C/C(=O)[O-])CCC2 ZINC000096288858 175020856 /nfs/dbraw/zinc/02/08/56/175020856.db2.gz VURUNEWQQXUTQI-AATRIKPKSA-N -1 0 218.252 2.282 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000035326442 175031093 /nfs/dbraw/zinc/03/10/93/175031093.db2.gz YSZAZXPDFIYHGC-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(/C(C)=C/C(=O)[O-])c(C)c1 ZINC000006266416 175045557 /nfs/dbraw/zinc/04/55/57/175045557.db2.gz ZHUJNTOGFYKZSR-VQHVLOKHSA-N -1 0 206.241 2.492 50 0 BEAARM COc1ccc(/C=C(\C)C(=O)[O-])cc1F ZINC000044220500 175046531 /nfs/dbraw/zinc/04/65/31/175046531.db2.gz QBUJMDMWUVYMCY-FNORWQNLSA-N -1 0 210.204 2.322 50 0 BEAARM COc1ccc(/C=C\C(=O)[O-])cc1Cl ZINC000005908418 175047968 /nfs/dbraw/zinc/04/79/68/175047968.db2.gz FFQJKQJQLDOHDW-HYXAFXHYSA-N -1 0 212.632 2.446 50 0 BEAARM COc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000083260323 175066025 /nfs/dbraw/zinc/06/60/25/175066025.db2.gz SRFOISVYVQZJQU-RYUDHWBXSA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000043879011 175066039 /nfs/dbraw/zinc/06/60/39/175066039.db2.gz SRFOISVYVQZJQU-NWDGAFQWSA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccc(C(=S)SCC(=O)[O-])cc1 ZINC000003161266 175066932 /nfs/dbraw/zinc/06/69/32/175066932.db2.gz OYGMVZNPQIMDSA-UHFFFAOYSA-N -1 0 242.321 2.189 50 0 BEAARM COc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000012956694 175070287 /nfs/dbraw/zinc/07/02/87/175070287.db2.gz NAKZCKOHULJEID-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1ccc(C)cc1C(=O)CCC(=O)[O-] ZINC000000327634 175073013 /nfs/dbraw/zinc/07/30/13/175073013.db2.gz DAVYMGMWMJJLHA-UHFFFAOYSA-N -1 0 222.240 2.051 50 0 BEAARM COc1ccc(C)cc1CCCC(=O)[O-] ZINC000001722300 175073957 /nfs/dbraw/zinc/07/39/57/175073957.db2.gz QWXBQKDUQJHCEZ-UHFFFAOYSA-N -1 0 208.257 2.411 50 0 BEAARM COc1ccc(CC(=O)[O-])c(Br)c1 ZINC000003750731 175087689 /nfs/dbraw/zinc/08/76/89/175087689.db2.gz XQELSBAAFMYSMG-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 BEAARM COc1ccc(Cl)c(OC)c1C(=O)[O-] ZINC000000093099 175118848 /nfs/dbraw/zinc/11/88/48/175118848.db2.gz CLZTVXIMOQUOEI-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM COc1ccc(F)cc1CCCC(=O)[O-] ZINC000036158798 175128399 /nfs/dbraw/zinc/12/83/99/175128399.db2.gz HPXLWICMZMEFPV-UHFFFAOYSA-N -1 0 212.220 2.242 50 0 BEAARM COc1ccc(OC)c(CCCC(=O)[O-])c1 ZINC000001680166 175165098 /nfs/dbraw/zinc/16/50/98/175165098.db2.gz KDKKXQVDSWSPEE-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 BEAARM COc1ccc(OCC(=O)[O-])c(C(C)(C)C)c1 ZINC000011890322 175172072 /nfs/dbraw/zinc/17/20/72/175172072.db2.gz DDRMPUFADHMKLR-UHFFFAOYSA-N -1 0 238.283 2.456 50 0 BEAARM COc1ccc2sc(C(=O)[O-])nc2c1 ZINC000045237131 175232544 /nfs/dbraw/zinc/23/25/44/175232544.db2.gz HZCUQHHEHCKENU-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM COc1cccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000083294568 175247407 /nfs/dbraw/zinc/24/74/07/175247407.db2.gz BBGASWPBIIQSLG-RYUDHWBXSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc(C2(C(=O)[O-])CCC2)c1 ZINC000020357708 175248273 /nfs/dbraw/zinc/24/82/73/175248273.db2.gz DKRPTRYWEUCDHJ-UHFFFAOYSA-N -1 0 206.241 2.202 50 0 BEAARM COc1cccc(CCCCC(=O)[O-])c1O ZINC000003053489 175250510 /nfs/dbraw/zinc/25/05/10/175250510.db2.gz LPZLMONXQLCMOD-UHFFFAOYSA-N -1 0 224.256 2.198 50 0 BEAARM COc1cccc2c(CC(=O)[O-])c(C)[nH]c21 ZINC000011919582 175298919 /nfs/dbraw/zinc/29/89/19/175298919.db2.gz ONWODWWUWQFYSF-UHFFFAOYSA-N -1 0 219.240 2.112 50 0 BEAARM COc1ccccc1C([O-])=CC(=O)C(F)(F)F ZINC000100316399 175316539 /nfs/dbraw/zinc/31/65/39/175316539.db2.gz MEKQEULAECFIOH-UHFFFAOYSA-N -1 0 246.184 2.399 50 0 BEAARM COc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000083319357 175319893 /nfs/dbraw/zinc/31/98/93/175319893.db2.gz MEKBVCIQBYRCMJ-UWVGGRQHSA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccccc1CC(C)(C)C(=O)[O-] ZINC000041217183 175321813 /nfs/dbraw/zinc/32/18/13/175321813.db2.gz FRIAIIANUDZYIQ-UHFFFAOYSA-N -1 0 208.257 2.349 50 0 BEAARM COc1ccccc1C[C@H](C)CC(=O)[O-] ZINC000016310075 175333207 /nfs/dbraw/zinc/33/32/07/175333207.db2.gz WAXGTOBKXADUQN-VIFPVBQESA-N -1 0 208.257 2.349 50 0 BEAARM C[C@@H](Sc1ccc(Cl)cn1)C(=O)[O-] ZINC000005920504 176009621 /nfs/dbraw/zinc/00/96/21/176009621.db2.gz SHDDRLMWATUNEM-RXMQYKEDSA-N -1 0 217.677 2.300 50 0 BEAARM C[C@@H](Sc1ncnc2ccccc21)C(=O)[O-] ZINC000000034090 176010701 /nfs/dbraw/zinc/01/07/01/176010701.db2.gz UMMDOUOBKCUKSN-SSDOTTSWSA-N -1 0 234.280 2.195 50 0 BEAARM C[C@H](C(=O)[O-])N1C[C@@H](C)c2ccccc21 ZINC000237448179 176316171 /nfs/dbraw/zinc/31/61/71/176316171.db2.gz AENTXCWRAKZIFA-RKDXNWHRSA-N -1 0 205.257 2.083 50 0 BEAARM C[C@H](Oc1cccc2c1CCCC2)C(=O)[O-] ZINC000013609402 177023870 /nfs/dbraw/zinc/02/38/70/177023870.db2.gz BYIZXCPIBNWEMR-VIFPVBQESA-N -1 0 220.268 2.417 50 0 BEAARM C[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000098095695 177309245 /nfs/dbraw/zinc/30/92/45/177309245.db2.gz JYCRXMSJGZWACP-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM O=C([O-])CCc1cc(Cl)ccc1F ZINC000082531810 487665097 /nfs/dbraw/zinc/66/50/97/487665097.db2.gz WJGBGNPQWOGIER-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM Cc1cc(=O)c(C(=O)[O-])c(CC2CCCC2)n1C ZINC000299761279 487802434 /nfs/dbraw/zinc/80/24/34/487802434.db2.gz IJLJSULYMPAVJG-UHFFFAOYSA-N -1 0 249.310 2.125 50 0 BEAARM CC[C@]1(C)C[C@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000155894874 523595172 /nfs/dbraw/zinc/59/51/72/523595172.db2.gz MTVBEZNNVPJZFB-TVQRCGJNSA-N -1 0 241.331 2.182 50 0 BEAARM O=C([O-])c1ccc(NCC[C@H]2CCCO2)cc1 ZINC000050913407 322851953 /nfs/dbraw/zinc/85/19/53/322851953.db2.gz FZOVIQODSGRVAW-GFCCVEGCSA-N -1 0 235.283 2.366 50 0 BEAARM O=C([O-])c1cccc(F)c1OC(F)(F)F ZINC000238676147 323002858 /nfs/dbraw/zinc/00/28/58/323002858.db2.gz XTMRRXQJHIJUCZ-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM Cc1n[nH]c(C)c1-c1cccc(CC(=O)[O-])c1 ZINC000534593163 323154531 /nfs/dbraw/zinc/15/45/31/323154531.db2.gz YKCFHCCQTWRVAL-UHFFFAOYSA-N -1 0 230.267 2.321 50 0 BEAARM CC1NC(c2ccccc2)=C(C(=O)[O-])S1 ZINC000390825640 525358626 /nfs/dbraw/zinc/35/86/26/525358626.db2.gz CBXINXDQJADJKM-UHFFFAOYSA-N -1 0 220.273 2.286 50 0 BEAARM CCC(=O)C1=C([O-])c2ccccc2CC1 ZINC000043651298 582806301 /nfs/dbraw/zinc/80/63/01/582806301.db2.gz RPFZFVUKQMJQBZ-LLVKDONJSA-N -1 0 202.253 2.411 50 0 BEAARM Cc1onc(-c2cccnc2Cl)c1C(=O)[O-] ZINC000149258852 583584333 /nfs/dbraw/zinc/58/43/33/583584333.db2.gz OMUAGEPCOGDFNL-UHFFFAOYSA-N -1 0 238.630 2.397 50 0 BEAARM O=C([O-])/C=C\C1=Cc2ccccc2OC1 ZINC000045016309 640486176 /nfs/dbraw/zinc/48/61/76/640486176.db2.gz WYQKZHBKUXLNAR-WAYWQWQTSA-N -1 0 202.209 2.103 50 0 BEAARM Cc1ncccc1-c1ccc(C(=O)[O-])o1 ZINC000307280927 643674557 /nfs/dbraw/zinc/67/45/57/643674557.db2.gz ACAFLYLNXLWWSI-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM CCN(C(=O)OC(C)(C)C)[C@H](C)CC(=O)[O-] ZINC000061178388 712284066 /nfs/dbraw/zinc/28/40/66/712284066.db2.gz IUUKGOAOKYNXBM-MRVPVSSYSA-N -1 0 231.292 2.107 50 0 BEAARM O=C([O-])c1ccc(O)c(/C=C/Br)c1 ZINC000685964134 968092185 /nfs/dbraw/zinc/09/21/85/968092185.db2.gz ZDWJMOAWDNLFOQ-ONEGZZNKSA-N -1 0 243.056 2.456 50 0 BEAARM Cc1cc(=O)oc2cc([O-])c(-c3ccno3)cc12 ZINC000828407476 968784113 /nfs/dbraw/zinc/78/41/13/968784113.db2.gz ZTBUDXHGDFLLCQ-UHFFFAOYSA-N -1 0 243.218 2.462 50 0 BEAARM Cc1cc(Cl)c([C@H](O)C(=O)[O-])cc1Cl ZINC000263624822 178060396 /nfs/dbraw/zinc/06/03/96/178060396.db2.gz UMVFSXSKMCUBLD-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM CC1(C)C[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000232925749 187326229 /nfs/dbraw/zinc/32/62/29/187326229.db2.gz KNSPXEQXZLONBO-NSHDSACASA-N -1 0 247.294 2.047 50 0 BEAARM Cc1cc([C@H]2C([O-])=CC(=O)CC2(C)C)on1 ZINC000103546637 178263702 /nfs/dbraw/zinc/26/37/02/178263702.db2.gz PMCIEXIFDVFAMQ-LLVKDONJSA-N -1 0 221.256 2.025 50 0 BEAARM Cc1cc2oc(=O)cc([O-])c2cc1Cl ZINC000005578235 178306588 /nfs/dbraw/zinc/30/65/88/178306588.db2.gz WOILRPBEBXTBKT-UHFFFAOYSA-N -1 0 210.616 2.460 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000009280221 178319303 /nfs/dbraw/zinc/31/93/03/178319303.db2.gz AGBUJDQCUQIKLE-UHFFFAOYSA-N -1 0 216.240 2.094 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000005126258 178319325 /nfs/dbraw/zinc/31/93/25/178319325.db2.gz BGTWUOQARPOYER-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM Cc1ccc(-c2nnc(/C=C/C(=O)[O-])o2)cc1 ZINC000071534525 178339236 /nfs/dbraw/zinc/33/92/36/178339236.db2.gz IPJRKLACRJSNIY-VOTSOKGWSA-N -1 0 230.223 2.143 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000008700442 178347427 /nfs/dbraw/zinc/34/74/27/178347427.db2.gz NKHBUGPSFOPHET-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1ccc(-n2cccc2C(=O)[O-])cc1 ZINC000035431541 178347739 /nfs/dbraw/zinc/34/77/39/178347739.db2.gz DZVBLFFSFWALTK-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Cl)N1 ZINC000000080574 342673569 /nfs/dbraw/zinc/67/35/69/342673569.db2.gz JMNONJXMGLSVNV-IUCAKERBSA-N -1 0 243.715 2.128 50 0 BEAARM CC[C@@H](Nc1ncnc2ccc(C)cc21)C(=O)[O-] ZINC000000122956 342675766 /nfs/dbraw/zinc/67/57/66/342675766.db2.gz PFDYUSVIMPBSPD-SNVBAGLBSA-N -1 0 245.282 2.213 50 0 BEAARM CCc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000000132847 342676265 /nfs/dbraw/zinc/67/62/65/342676265.db2.gz ZLHLIRYSBPOFQB-UHFFFAOYSA-N -1 0 206.241 2.297 50 0 BEAARM CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000342291 342684032 /nfs/dbraw/zinc/68/40/32/342684032.db2.gz QYZNWPBDLOXZLB-UHFFFAOYSA-N -1 0 221.256 2.369 50 0 BEAARM CC(C(=O)N1CCCC1)=C([O-])c1ccccc1 ZINC000000387886 342685870 /nfs/dbraw/zinc/68/58/70/342685870.db2.gz VRZLRZRYLBZQCQ-LLVKDONJSA-N -1 0 231.295 2.128 50 0 BEAARM CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000000002220 342669575 /nfs/dbraw/zinc/66/95/75/342669575.db2.gz RMWVZGDJPAKBDE-UHFFFAOYSA-N -1 0 248.156 2.329 50 0 world BEAARM CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000000619137 342690989 /nfs/dbraw/zinc/69/09/89/342690989.db2.gz NJLIXBFSTLACFC-UHFFFAOYSA-N -1 0 220.297 2.469 50 0 BEAARM O=C([O-])c1c(C(F)(F)F)nc2ccccn21 ZINC000001590649 342704535 /nfs/dbraw/zinc/70/45/35/342704535.db2.gz WJFKWYWCMPJWQD-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM CCCC[C@H](CC)COS(=O)(=O)[O-] ZINC000001680379 342708603 /nfs/dbraw/zinc/70/86/03/342708603.db2.gz MHGOKSLTIUHUBF-QMMMGPOBSA-N -1 0 210.295 2.022 50 0 endogenous,in-man BEAARM O=C([O-])[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001687085 342709285 /nfs/dbraw/zinc/70/92/85/342709285.db2.gz TZCCKRXYTBHLMH-SSDOTTSWSA-N -1 0 221.039 2.111 50 0 BEAARM COc1c(Br)cccc1C(=O)[O-] ZINC000001708047 342710478 /nfs/dbraw/zinc/71/04/78/342710478.db2.gz PIBPHOFXQUUPTM-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM CC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001751284 342712115 /nfs/dbraw/zinc/71/21/15/342712115.db2.gz LBDSQGPMOHWZSP-UHFFFAOYSA-N -1 0 236.271 2.305 50 0 BEAARM C[C@H](Nc1nc2ccccc2s1)C(=O)[O-] ZINC000004218364 342744449 /nfs/dbraw/zinc/74/44/49/342744449.db2.gz UCKLRJLHKVCNAU-LURJTMIESA-N -1 0 222.269 2.181 50 0 BEAARM O=C([O-])c1cccc(OCc2cscn2)c1 ZINC000004219148 342744674 /nfs/dbraw/zinc/74/46/74/342744674.db2.gz IMILYUBILRHRBV-UHFFFAOYSA-N -1 0 235.264 2.420 50 0 BEAARM Cc1cc(-c2ccc(C(=O)[O-])s2)cnc1N ZINC000002458600 342721093 /nfs/dbraw/zinc/72/10/93/342721093.db2.gz RHGPTOUJLXZQEP-UHFFFAOYSA-N -1 0 234.280 2.399 50 0 BEAARM Cc1ccc(Cl)c(OCC(=O)[O-])c1 ZINC000002526120 342722456 /nfs/dbraw/zinc/72/24/56/342722456.db2.gz JEJIBWJTYHKGFO-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000002527157 342722707 /nfs/dbraw/zinc/72/27/07/342722707.db2.gz TZNCDXAIDIETKV-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccccc1F ZINC000002532532 342723134 /nfs/dbraw/zinc/72/31/34/342723134.db2.gz RIJKYRZKHBKWDB-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=C([O-])c1cncc(SCc2ccccc2)n1 ZINC000002559864 342724207 /nfs/dbraw/zinc/72/42/07/342724207.db2.gz XUJVZURVZREHLV-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM Cc1[nH]c2ccccc2c1CCC(=O)[O-] ZINC000002565049 342724571 /nfs/dbraw/zinc/72/45/71/342724571.db2.gz MVCHNOBEGHXCDV-UHFFFAOYSA-N -1 0 203.241 2.494 50 0 BEAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OC ZINC000003298528 342732460 /nfs/dbraw/zinc/73/24/60/342732460.db2.gz FZFFFBWBOZMKEP-ONEGZZNKSA-N -1 0 242.658 2.455 50 0 BEAARM O=c1cc(-c2cccnc2)[n-]n1-c1ccccc1 ZINC000003776784 342737707 /nfs/dbraw/zinc/73/77/07/342737707.db2.gz URELBAFVGJASQK-UHFFFAOYSA-N -1 0 237.262 2.223 50 0 BEAARM CC[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000004819692 342752548 /nfs/dbraw/zinc/75/25/48/342752548.db2.gz WSCPPDYQNBGDPY-SNVBAGLBSA-N -1 0 248.234 2.035 50 0 BEAARM Cn1c2ccccc2nc1CCCCC(=O)[O-] ZINC000004942659 342754712 /nfs/dbraw/zinc/75/47/12/342754712.db2.gz HQQUJYDURKYPDK-UHFFFAOYSA-N -1 0 232.283 2.371 50 0 BEAARM O=C([O-])c1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000006445959 342777983 /nfs/dbraw/zinc/77/79/83/342777983.db2.gz GYIXQBMJJZNZJW-UHFFFAOYSA-N -1 0 228.660 2.490 50 0 BEAARM Fc1cccc(-c2nnc3ccc(=S)[nH]n32)c1 ZINC000006084348 342773205 /nfs/dbraw/zinc/77/32/05/342773205.db2.gz IDSBFELKKTYKHE-UHFFFAOYSA-N -1 0 246.270 2.219 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1 ZINC000004690886 342750785 /nfs/dbraw/zinc/75/07/85/342750785.db2.gz IFZUSRLWTZPENL-MNOVXSKESA-N -1 0 249.310 2.365 50 0 BEAARM Cc1cc(C)n(-c2ccccc2C(=O)[O-])n1 ZINC000006743990 342781983 /nfs/dbraw/zinc/78/19/83/342781983.db2.gz LTPVMKDDNQWFOG-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM CCc1c(C(=O)[O-])cnn1-c1ccccc1C ZINC000006773747 342782895 /nfs/dbraw/zinc/78/28/95/342782895.db2.gz AVZPWBCRJATGNN-UHFFFAOYSA-N -1 0 230.267 2.441 50 0 BEAARM CCOc1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000008703660 342802940 /nfs/dbraw/zinc/80/29/40/342802940.db2.gz XKCYBDUVTJSEBW-UHFFFAOYSA-N -1 0 235.283 2.384 50 0 BEAARM Cc1ccc(NC(=O)C(C)C)c(C(=O)[O-])c1 ZINC000008190027 342796586 /nfs/dbraw/zinc/79/65/86/342796586.db2.gz LVAJYOKFNNWOPK-UHFFFAOYSA-N -1 0 221.256 2.288 50 0 BEAARM Cc1ccc(NC(=O)CC(=O)[O-])cc1Cl ZINC000009355878 342814127 /nfs/dbraw/zinc/81/41/27/342814127.db2.gz TUKUCIWNZGJPRL-UHFFFAOYSA-N -1 0 227.647 2.062 50 0 BEAARM O=C([O-])[C@@H](Cc1ccncc1)c1ccccc1 ZINC000011570616 342841598 /nfs/dbraw/zinc/84/15/98/342841598.db2.gz XHXGOYRSBXUBAM-ZDUSSCGKSA-N -1 0 227.263 2.493 50 0 BEAARM O=C([O-])/C=C/C(=O)Nc1ccc2ccccc2c1 ZINC000012341228 342849343 /nfs/dbraw/zinc/84/93/43/342849343.db2.gz MJBXLSQXZHYTSR-BQYQJAHWSA-N -1 0 241.246 2.419 50 0 BEAARM O=C([O-])c1cccnc1SCC(F)(F)F ZINC000012505448 342852995 /nfs/dbraw/zinc/85/29/95/342852995.db2.gz NUMLYCZMZZNMCW-UHFFFAOYSA-N -1 0 237.202 2.434 50 0 BEAARM Cc1ccc(O[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000011864223 342843958 /nfs/dbraw/zinc/84/39/58/342843958.db2.gz NTNPBNPKNWPBIM-LLVKDONJSA-N -1 0 208.257 2.483 50 0 BEAARM COC(=O)[C@@H](C)Sc1ccccc1C(=O)[O-] ZINC000012909270 342860850 /nfs/dbraw/zinc/86/08/50/342860850.db2.gz NSQPVTWCPSPXRF-SSDOTTSWSA-N -1 0 240.280 2.038 50 0 BEAARM CSc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000013609078 342868614 /nfs/dbraw/zinc/86/86/14/342868614.db2.gz XHNHHJSRWSRKLG-ZETCQYMHSA-N -1 0 236.296 2.404 50 0 BEAARM Cc1ccc2c(c1C)OC/C2=C\C(=O)[O-] ZINC000094993393 398316121 /nfs/dbraw/zinc/31/61/21/398316121.db2.gz APHWYPTVDBHNQG-WEVVVXLNSA-N -1 0 204.225 2.164 50 0 BEAARM CCc1c([O-])nc2sc3ccccc3n2c1=O ZINC000100025910 398312749 /nfs/dbraw/zinc/31/27/49/398312749.db2.gz MUSVQCJDRASAFK-UHFFFAOYSA-N -1 0 246.291 2.177 50 0 BEAARM O=C([O-])c1ccc2c(Br)[nH]nc2c1 ZINC000014986047 342890111 /nfs/dbraw/zinc/89/01/11/342890111.db2.gz PKOJMSAMIIFLSC-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccc2nnc(-c3ccccc3)n2c1 ZINC000014987820 342890325 /nfs/dbraw/zinc/89/03/25/342890325.db2.gz PSZVQTSHDZGTBX-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM Cc1ccc(CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000017723703 342927703 /nfs/dbraw/zinc/92/77/03/342927703.db2.gz AOBAWNDUVJYVSV-UHFFFAOYSA-N -1 0 247.323 2.486 50 0 BEAARM CC(C)Cc1nc(C(=O)[O-])c2ccccn21 ZINC000020222658 342978118 /nfs/dbraw/zinc/97/81/18/342978118.db2.gz OMEJGCSLTGJRBA-UHFFFAOYSA-N -1 0 218.256 2.231 50 0 BEAARM O=C([O-])[C@@H]1COc2ccc3ccccc3c2C1 ZINC000020284404 342980392 /nfs/dbraw/zinc/98/03/92/342980392.db2.gz WOGFRQYQWSZVJK-JTQLQIEISA-N -1 0 228.247 2.476 50 0 BEAARM O=C([O-])C1CC(OCc2ccccc2)C1 ZINC000021303321 343009381 /nfs/dbraw/zinc/00/93/81/343009381.db2.gz YNNOFVDQHAHVFG-UHFFFAOYSA-N -1 0 206.241 2.066 50 0 BEAARM O=C([O-])c1cnc2c(cnn2C2CCCC2)c1 ZINC000021966574 343031549 /nfs/dbraw/zinc/03/15/49/343031549.db2.gz OJOATUNPRXJFJJ-UHFFFAOYSA-N -1 0 231.255 2.245 50 0 BEAARM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000001595350 343073580 /nfs/dbraw/zinc/07/35/80/343073580.db2.gz LDFOTDZVZJTBRL-SSDOTTSWSA-N -1 0 210.204 2.119 50 0 BEAARM O=C([O-])c1ccccc1NCC(F)(F)F ZINC000050913062 343074075 /nfs/dbraw/zinc/07/40/75/343074075.db2.gz TYQJCIIATXTPRQ-UHFFFAOYSA-N -1 0 219.162 2.359 50 0 BEAARM CCOc1cc(C(=O)[O-])ccc1Cl ZINC000028278371 343127828 /nfs/dbraw/zinc/12/78/28/343127828.db2.gz DVZTYMNTUWPGIO-UHFFFAOYSA-N -1 0 200.621 2.437 50 0 BEAARM Cc1c(Cl)c(=O)oc2cc(O)ccc12 ZINC000000057914 187243935 /nfs/dbraw/zinc/24/39/35/187243935.db2.gz ODZHLDRQCZXQFQ-UHFFFAOYSA-N -1 0 210.616 2.460 50 0 in-vitro BEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002578581 187246075 /nfs/dbraw/zinc/24/60/75/187246075.db2.gz LUXMZCJCTUATDM-QMMMGPOBSA-N -1 0 231.292 2.010 50 0 BEAARM O=C([O-])c1cncc(-c2cccc(O)c2)c1 ZINC000032002817 343227473 /nfs/dbraw/zinc/22/74/73/343227473.db2.gz ZFOZRXCJNXHMSX-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000032153770 343230229 /nfs/dbraw/zinc/23/02/29/343230229.db2.gz SVMCPPLCIXHWBS-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM Cc1nc(Cc2ccccn2)sc1C(=O)[O-] ZINC000032627378 343239107 /nfs/dbraw/zinc/23/91/07/343239107.db2.gz ZUYWDWYKNJLVOJ-UHFFFAOYSA-N -1 0 234.280 2.136 50 0 BEAARM Nc1c(C(=O)[O-])snc1-c1ccc(F)cc1 ZINC000033268116 343249893 /nfs/dbraw/zinc/24/98/93/343249893.db2.gz UWVZJPQYRGOTSB-UHFFFAOYSA-N -1 0 238.243 2.230 50 0 BEAARM Cc1cnc2c(cccc2[S@](=O)[O-])c1 ZINC000033940336 343263002 /nfs/dbraw/zinc/26/30/02/343263002.db2.gz RLCYUBNINIQLBX-UHFFFAOYSA-N -1 0 207.254 2.124 50 0 BEAARM O=C([O-])[C@@H]1SCCc2sccc21 ZINC000034091186 343264353 /nfs/dbraw/zinc/26/43/53/343264353.db2.gz LJDDCXKISNJWCA-SSDOTTSWSA-N -1 0 200.284 2.163 50 0 BEAARM O=C([O-])c1cc2c(nc3ccccn32)s1 ZINC000034873173 343279446 /nfs/dbraw/zinc/27/94/46/343279446.db2.gz DZJHCXAWQGHBST-UHFFFAOYSA-N -1 0 218.237 2.247 50 0 BEAARM Fc1cccc(Cc2n[n-]c(=S)o2)c1 ZINC000034964286 343281838 /nfs/dbraw/zinc/28/18/38/343281838.db2.gz UHUDFMJJWGZYNS-UHFFFAOYSA-N -1 0 210.233 2.088 50 0 BEAARM O=C([O-])c1cccc(OC(F)(F)F)c1F ZINC000036533795 343320173 /nfs/dbraw/zinc/32/01/73/343320173.db2.gz VUFVRYWIHCPNGN-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)s2)N1 ZINC000036906843 343327540 /nfs/dbraw/zinc/32/75/40/343327540.db2.gz IKBXTCUEVOKTDZ-MHTLYPKNSA-N -1 0 249.744 2.190 50 0 BEAARM CN(C)c1cc(Br)ccc1C(=O)[O-] ZINC000036985349 343329760 /nfs/dbraw/zinc/32/97/60/343329760.db2.gz ACAOXPRZUJIGCS-UHFFFAOYSA-N -1 0 244.088 2.213 50 0 BEAARM CN(c1cc(C(=O)[O-])ccn1)C1CCCC1 ZINC000037022625 343331333 /nfs/dbraw/zinc/33/13/33/343331333.db2.gz ISJIJBHDNQFRTO-UHFFFAOYSA-N -1 0 220.272 2.159 50 0 BEAARM O=C([O-])[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000036379617 343317306 /nfs/dbraw/zinc/31/73/06/343317306.db2.gz PLTXACXZZGZCLU-GHMZBOCLSA-N -1 0 206.241 2.239 50 0 BEAARM CSc1nccn1-c1ccc(C(=O)[O-])cc1 ZINC000032625201 187256922 /nfs/dbraw/zinc/25/69/22/187256922.db2.gz ZCICHLBTRTUUKQ-UHFFFAOYSA-N -1 0 234.280 2.292 50 0 BEAARM CC[C@@H]1CCCN1c1cc(C(=O)[O-])ccn1 ZINC000037915259 343360435 /nfs/dbraw/zinc/36/04/35/343360435.db2.gz CEWWIYDZHOSPDG-SNVBAGLBSA-N -1 0 220.272 2.159 50 0 BEAARM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000070414959 343379445 /nfs/dbraw/zinc/37/94/45/343379445.db2.gz PMBPWNBVQINJRH-VIFPVBQESA-N -1 0 245.319 2.401 50 0 BEAARM COc1cccc(Br)c1C(=O)[O-] ZINC000038272350 343373362 /nfs/dbraw/zinc/37/33/62/343373362.db2.gz BNYFDICJYCBPRW-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM CCCCC[C@@H]1[C@H](O)CC[C@@H]1CC(=O)[O-] ZINC000038325521 343373818 /nfs/dbraw/zinc/37/38/18/343373818.db2.gz AXMWVEOITAQHFI-OUAUKWLOSA-N -1 0 214.305 2.429 50 0 BEAARM CC(C)(C)c1[nH]nc(C(=O)[O-])c1Br ZINC000038478091 343375413 /nfs/dbraw/zinc/37/54/13/343375413.db2.gz JVMWDDZTVXATAJ-UHFFFAOYSA-N -1 0 247.092 2.168 50 0 BEAARM CCCCc1[nH]nc(C(=O)[O-])c1Br ZINC000028824284 187255605 /nfs/dbraw/zinc/25/56/05/187255605.db2.gz OAQYEJMWZZYVGR-UHFFFAOYSA-N -1 0 247.092 2.213 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000037381181 343344406 /nfs/dbraw/zinc/34/44/06/343344406.db2.gz VEQHUVWIKWWTFY-HTQZYQBOSA-N -1 0 228.194 2.476 50 0 BEAARM Nc1cccc(-c2cccc(C(=O)[O-])c2)c1O ZINC000040433876 343403048 /nfs/dbraw/zinc/40/30/48/343403048.db2.gz ZXLYSSHNDUXXIN-UHFFFAOYSA-N -1 0 229.235 2.340 50 0 BEAARM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000040710641 343408531 /nfs/dbraw/zinc/40/85/31/343408531.db2.gz WWKOREWJYZNXDX-VIFPVBQESA-N -1 0 245.319 2.258 50 0 BEAARM CCc1c(C(=O)[O-])cnn1C1CCCC1 ZINC000040927479 343411279 /nfs/dbraw/zinc/41/12/79/343411279.db2.gz DACPZVLRBMREGM-UHFFFAOYSA-N -1 0 208.261 2.259 50 0 BEAARM O=C([O-])C1(c2ccnc3ccccc32)CC1 ZINC000083298112 343478637 /nfs/dbraw/zinc/47/86/37/343478637.db2.gz DQQJOXMSUIXENC-UHFFFAOYSA-N -1 0 213.236 2.351 50 0 BEAARM O=C([O-])c1c(F)cc(OC(F)F)cc1F ZINC000047203227 343558444 /nfs/dbraw/zinc/55/84/44/343558444.db2.gz UYFODXZGBHYHBR-UHFFFAOYSA-N -1 0 224.109 2.264 50 0 BEAARM Cc1c(Br)cccc1CC(=O)[O-] ZINC000084506919 187285803 /nfs/dbraw/zinc/28/58/03/187285803.db2.gz BENXZZOWZYNPLT-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM COc1cccc2c1N[C@H](C(=O)[O-])[C@@H]1C=CC[C@H]21 ZINC000072233450 344519130 /nfs/dbraw/zinc/51/91/30/344519130.db2.gz OJDYITLUNFCOOS-JQEORGNBSA-N -1 0 245.278 2.234 50 0 BEAARM CC(=O)C1=C([O-])c2ccc(Cl)cc2C1 ZINC000127694740 344607159 /nfs/dbraw/zinc/60/71/59/344607159.db2.gz JHYZQFAAOYBAEI-SNVBAGLBSA-N -1 0 208.644 2.284 50 0 BEAARM N#Cc1c([O-])cc(Br)cc1F ZINC000115840009 344717009 /nfs/dbraw/zinc/71/70/09/344717009.db2.gz ARDAEBQYIBXEMA-UHFFFAOYSA-N -1 0 216.009 2.165 50 0 BEAARM CC(=O)c1coc2ccc(OCC(=O)[O-])cc12 ZINC000000380725 187298481 /nfs/dbraw/zinc/29/84/81/187298481.db2.gz WKBUOKFWRRIHDJ-UHFFFAOYSA-N -1 0 234.207 2.099 50 0 BEAARM COc1cc2c(O)cccc2cc1C(=O)[O-] ZINC000142180461 345858732 /nfs/dbraw/zinc/85/87/32/345858732.db2.gz IAMRUWYVOYSJON-UHFFFAOYSA-N -1 0 218.208 2.252 50 0 BEAARM Cc1cccc(-n2nnc(C(=O)[O-])c2C2CC2)c1 ZINC000011888094 179002412 /nfs/dbraw/zinc/00/24/12/179002412.db2.gz CXOHVJKTJXDZKM-UHFFFAOYSA-N -1 0 243.266 2.151 50 0 BEAARM Cc1cccc(Cl)c1OCC(=O)[O-] ZINC000001732177 179108547 /nfs/dbraw/zinc/10/85/47/179108547.db2.gz WHLKFTSLSDHFMU-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM O=[S@@]([O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000059526981 537982250 /nfs/dbraw/zinc/98/22/50/537982250.db2.gz PGRAVMAFVHJRMA-UHFFFAOYSA-N -1 0 240.202 2.307 50 0 BEAARM Nc1ccc(C(=O)[O-])cc1-c1nccs1 ZINC000669380066 537983787 /nfs/dbraw/zinc/98/37/87/537983787.db2.gz HLFRJPGSMKGOMQ-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM Cc1cccc(NC(=O)CCC(=O)[O-])c1C ZINC000000196833 179125947 /nfs/dbraw/zinc/12/59/47/179125947.db2.gz NEWTUBVMUDIITM-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM CC(C)CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000019837228 347360376 /nfs/dbraw/zinc/36/03/76/347360376.db2.gz VNSRWTJPYRWBBB-UHFFFAOYSA-N -1 0 227.691 2.431 50 0 BEAARM O=c1cc(C(F)(F)F)[n-]c2cc(O)ccc12 ZINC000019899199 347376297 /nfs/dbraw/zinc/37/62/97/347376297.db2.gz MSJACEPSTKGCBZ-UHFFFAOYSA-N -1 0 229.157 2.253 50 0 BEAARM Cc1ccccc1CSc1nnc(C)c(=O)[n-]1 ZINC000008772872 179287191 /nfs/dbraw/zinc/28/71/91/179287191.db2.gz YEXJZLMCXXCLJK-UHFFFAOYSA-N -1 0 247.323 2.486 50 0 aggregator BEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C1CC1 ZINC000041298933 179340064 /nfs/dbraw/zinc/34/00/64/179340064.db2.gz PQEYCAAWPRJKPV-LBPRGKRZSA-N -1 0 247.294 2.037 50 0 BEAARM CC(C)c1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000016806910 362938456 /nfs/dbraw/zinc/93/84/56/362938456.db2.gz SDSMVKKWTXQFJF-UHFFFAOYSA-N -1 0 230.271 2.444 50 0 BEAARM Cc1n[n-]c(Nc2ccccc2C(C)C)nc1=O ZINC000008915096 179838165 /nfs/dbraw/zinc/83/81/65/179838165.db2.gz ZOXIFRACKFCALR-UHFFFAOYSA-N -1 0 244.298 2.340 50 0 BEAARM Cc1nc2cc(F)ccc2cc1C(=O)[O-] ZINC000003886833 180079546 /nfs/dbraw/zinc/07/95/46/180079546.db2.gz XJFNVJWLKGVKGN-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM Cc1ncc(C(F)(F)F)cc1C(=O)[O-] ZINC000169805853 180134936 /nfs/dbraw/zinc/13/49/36/180134936.db2.gz OYAHYRKOZUHEGO-UHFFFAOYSA-N -1 0 205.135 2.107 50 0 BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])s2)cn1 ZINC000725261153 538085630 /nfs/dbraw/zinc/08/56/30/538085630.db2.gz QKFBNEKNNWGOME-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM Cc1cc(O)c(C2=NCCCCC2)c(=O)o1 ZINC000027300779 350301950 /nfs/dbraw/zinc/30/19/50/350301950.db2.gz VDNJDIIXVOMNME-UHFFFAOYSA-N -1 0 221.256 2.017 50 0 BEAARM Cn1cc(CCC(=O)[O-])c2ccccc21 ZINC000000873830 180637809 /nfs/dbraw/zinc/63/78/09/180637809.db2.gz VVKVBQDZJLGAFG-UHFFFAOYSA-N -1 0 203.241 2.196 50 0 in-vitro BEAARM COc1ccc(CCCC(=O)[O-])cc1OC ZINC000000156029 187582663 /nfs/dbraw/zinc/58/26/63/187582663.db2.gz IDQKCIAJGRMMNC-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 BEAARM O=C([O-])c1nc(OCC2CC2)ccc1Cl ZINC000019965828 187590008 /nfs/dbraw/zinc/59/00/08/187590008.db2.gz SBSICDYGNMASIM-UHFFFAOYSA-N -1 0 227.647 2.222 50 0 BEAARM CSc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000068577313 187614319 /nfs/dbraw/zinc/61/43/19/187614319.db2.gz MEWMSMRFZJJBNA-SSDOTTSWSA-N -1 0 212.270 2.260 50 0 BEAARM Cc1cccc(Br)c1C(=O)[O-] ZINC000002574305 187927123 /nfs/dbraw/zinc/92/71/23/187927123.db2.gz ICXBPDJQFPIBSS-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM Cc1ccc(F)c(NC(=O)CCCC(=O)[O-])c1 ZINC000012650014 187932482 /nfs/dbraw/zinc/93/24/82/187932482.db2.gz GUZFIQDZDCZZSP-UHFFFAOYSA-N -1 0 239.246 2.328 50 0 BEAARM C/C=C\c1cc(C(=O)[O-])cc(OC)c1OC ZINC000096925529 188017350 /nfs/dbraw/zinc/01/73/50/188017350.db2.gz QJMYJBBBKJWVDQ-PLNGDYQASA-N -1 0 222.240 2.435 50 0 BEAARM CC(=O)Oc1ccc2cc(C(=O)[O-])ccc2c1 ZINC000000361829 188272941 /nfs/dbraw/zinc/27/29/41/188272941.db2.gz NFTLBCXRDNIJMI-UHFFFAOYSA-N -1 0 230.219 2.463 50 0 BEAARM CC(C)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004514627 188276427 /nfs/dbraw/zinc/27/64/27/188276427.db2.gz NSMYFMFTSJZRGG-FPLPWBNLSA-N -1 0 233.267 2.389 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000006363879 188278197 /nfs/dbraw/zinc/27/81/97/188278197.db2.gz JSGHMGKJNZTKGF-BDAKNGLRSA-N -1 0 243.303 2.155 50 0 BEAARM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000019423810 188281222 /nfs/dbraw/zinc/28/12/22/188281222.db2.gz KHXCNDVMASKGJY-SVRRBLITSA-N -1 0 237.230 2.118 50 0 BEAARM CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000035079289 188284964 /nfs/dbraw/zinc/28/49/64/188284964.db2.gz ZUTDVFRJNNKHND-UHFFFAOYSA-N -1 0 249.188 2.342 50 0 BEAARM O=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000040449908 188291580 /nfs/dbraw/zinc/29/15/80/188291580.db2.gz FDVVTENPZCGJGG-UHFFFAOYSA-N -1 0 212.661 2.152 50 0 BEAARM O=C([O-])C1CC(COCc2ccccc2)C1 ZINC000085224717 188316651 /nfs/dbraw/zinc/31/66/51/188316651.db2.gz XHFZODBRACUFTI-UHFFFAOYSA-N -1 0 220.268 2.314 50 0 BEAARM O=C([O-])[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000006507031 353407580 /nfs/dbraw/zinc/40/75/80/353407580.db2.gz MHVVPVXRMHIATI-LLVKDONJSA-N -1 0 220.268 2.160 50 0 in-vitro BEAARM Fc1ccccc1Cc1n[n-]c(=S)o1 ZINC000026513876 181014140 /nfs/dbraw/zinc/01/41/40/181014140.db2.gz WOIRXSDXFNPZHX-UHFFFAOYSA-N -1 0 210.233 2.088 50 0 BEAARM O=C([O-])c1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000033559084 356367444 /nfs/dbraw/zinc/36/74/44/356367444.db2.gz XZRYDUNYNRYBOI-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC(C)(C)c1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675057564 538480126 /nfs/dbraw/zinc/48/01/26/538480126.db2.gz JBASQJGJDZYEEB-UHFFFAOYSA-N -1 0 235.243 2.060 50 0 BEAARM O=C([O-])c1c(-c2ccc[nH]2)noc1C1CC1 ZINC000675057796 538480169 /nfs/dbraw/zinc/48/01/69/538480169.db2.gz PHXOPCBSEZYSKL-UHFFFAOYSA-N -1 0 218.212 2.245 50 0 BEAARM CC(C)(C)OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000585138676 538796249 /nfs/dbraw/zinc/79/62/49/538796249.db2.gz DJQMUCQKERPFRJ-SNAWJCMRSA-N -1 0 238.239 2.333 50 0 BEAARM CC[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000035721109 358737276 /nfs/dbraw/zinc/73/72/76/358737276.db2.gz DWPQSIAUUMZYHJ-SNVBAGLBSA-N -1 0 241.331 2.326 50 0 BEAARM O=C1[N-]C(=O)C(=Cc2c[nH]c3ccccc23)N1 ZINC000001318908 359627693 /nfs/dbraw/zinc/62/76/93/359627693.db2.gz WJZHVBZSCOLDKV-YHYXMXQVSA-N -1 0 227.223 2.189 50 0 biogenic BEAARM CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000081931861 359762013 /nfs/dbraw/zinc/76/20/13/359762013.db2.gz LZTBHMJATDYHJV-UHFFFAOYSA-N -1 0 234.082 2.401 50 0 BEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccccc1 ZINC000021951348 360090211 /nfs/dbraw/zinc/09/02/11/360090211.db2.gz FZSSLMQSTFVBIP-NSHDSACASA-N -1 0 248.282 2.158 50 0 BEAARM Cc1oc2ncnc(NCC(C)C)c2c1C(=O)[O-] ZINC000006738756 360703680 /nfs/dbraw/zinc/70/36/80/360703680.db2.gz LOYBVTXGYRGEOP-UHFFFAOYSA-N -1 0 249.270 2.297 50 0 BEAARM CC(=O)Nc1ccc([S@@](=O)[O-])c2ccccc12 ZINC000196917174 541514405 /nfs/dbraw/zinc/51/44/05/541514405.db2.gz WEMZEZDBSKXMSJ-UHFFFAOYSA-N -1 0 249.291 2.379 50 0 BEAARM O=C([O-])c1cc(F)c([N+](=O)[O-])cc1Cl ZINC000135741484 368307207 /nfs/dbraw/zinc/30/72/07/368307207.db2.gz LXUZKEKXMXCKHZ-UHFFFAOYSA-N -1 0 219.555 2.086 50 0 BEAARM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000022113934 368373387 /nfs/dbraw/zinc/37/33/87/368373387.db2.gz NFRPKIATGQQKHI-RKDXNWHRSA-N -1 0 228.288 2.219 50 0 BEAARM CCc1cc2c(C)cc(=O)oc2c2c([O-])coc21 ZINC000000272363 369376995 /nfs/dbraw/zinc/37/69/95/369376995.db2.gz PEMKICSCHVRDRD-UHFFFAOYSA-N -1 0 244.246 2.239 50 0 biogenic BEAARM CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003452198 371998024 /nfs/dbraw/zinc/99/80/24/371998024.db2.gz RJOLQYQHQUXIJK-UHFFFAOYSA-N -1 0 249.282 2.042 50 0 BEAARM O=C([O-])c1ccccc1NC(=O)c1ccco1 ZINC000000127322 182378413 /nfs/dbraw/zinc/37/84/13/182378413.db2.gz KGUJFARQLOGYHU-UHFFFAOYSA-N -1 0 231.207 2.230 50 0 BEAARM O=C([O-])C1(c2cc(-c3ccccc3)on2)CC1 ZINC000072220586 182424365 /nfs/dbraw/zinc/42/43/65/182424365.db2.gz BLXNWPUGIMDNOC-UHFFFAOYSA-N -1 0 229.235 2.458 50 0 BEAARM O=C([O-])C(F)(F)c1nc2ccccc2s1 ZINC000090225772 182421791 /nfs/dbraw/zinc/42/17/91/182421791.db2.gz DGJHHJIQYJOCRB-UHFFFAOYSA-N -1 0 229.207 2.473 50 0 BEAARM O=C([O-])CCSc1nc2ccccc2o1 ZINC000000175909 182450916 /nfs/dbraw/zinc/45/09/16/182450916.db2.gz DAPKNYUHIYHYBJ-UHFFFAOYSA-N -1 0 223.253 2.395 50 0 BEAARM O=C([O-])COc1ccc(Cl)c(Cl)c1 ZINC000000056416 182469863 /nfs/dbraw/zinc/46/98/63/182469863.db2.gz SNYRXHULAWEECU-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 in-vitro BEAARM O=C([O-])Cc1ccc(OC(F)F)c(F)c1 ZINC000091692996 182491364 /nfs/dbraw/zinc/49/13/64/182491364.db2.gz VHFMSYGWFHDRBD-UHFFFAOYSA-N -1 0 220.146 2.054 50 0 BEAARM O=C([O-])[C@@H]1CCCC[C@@]1(O)c1ccccc1 ZINC000001846269 182510247 /nfs/dbraw/zinc/51/02/47/182510247.db2.gz VCZPUGSOJXZKIP-WCQYABFASA-N -1 0 220.268 2.149 50 0 in-man BEAARM O=C([O-])[C@@H]1C[C@H]1c1ccnn1-c1ccccc1 ZINC000242687524 182521576 /nfs/dbraw/zinc/52/15/76/182521576.db2.gz ULKIXMQIWUVVKB-GHMZBOCLSA-N -1 0 228.251 2.060 50 0 BEAARM O=C([O-])[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000036379619 182537503 /nfs/dbraw/zinc/53/75/03/182537503.db2.gz PLTXACXZZGZCLU-WDEREUQCSA-N -1 0 206.241 2.239 50 0 BEAARM O=C([O-])c1c[nH]c2ncc(Br)cc12 ZINC000014401212 182550149 /nfs/dbraw/zinc/55/01/49/182550149.db2.gz AFVRLQXVTZZPGE-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cc2c(cc1Cl)OCCCO2 ZINC000026444396 182558574 /nfs/dbraw/zinc/55/85/74/182558574.db2.gz DFPRVDPWKACGRX-UHFFFAOYSA-N -1 0 228.631 2.200 50 0 BEAARM O=C([O-])c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000012956800 182564113 /nfs/dbraw/zinc/56/41/13/182564113.db2.gz VNTDAESCEVFXGZ-UHFFFAOYSA-N -1 0 230.223 2.312 50 0 BEAARM O=C([O-])c1ccc(F)cc1Br ZINC000001081357 182567929 /nfs/dbraw/zinc/56/79/29/182567929.db2.gz RRKPMLZRLKTDQV-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM O=C([O-])c1ccc(-c2ncccc2O)cc1 ZINC000065339134 182562585 /nfs/dbraw/zinc/56/25/85/182562585.db2.gz FHMJSQINYLEMRL-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])c1ccc(-c2cn3cccnc3n2)cc1 ZINC000001034281 182562606 /nfs/dbraw/zinc/56/26/06/182562606.db2.gz JSVXKWRXNBRMCX-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM O=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000019812884 182586108 /nfs/dbraw/zinc/58/61/08/182586108.db2.gz FSXGMVHSSOAENQ-UHFFFAOYSA-N -1 0 221.256 2.491 50 0 BEAARM O=C([O-])c1cccc(NC(=O)c2ccco2)c1 ZINC000000188564 182577998 /nfs/dbraw/zinc/57/79/98/182577998.db2.gz BXEQLEUNAJFOEP-UHFFFAOYSA-N -1 0 231.207 2.230 50 0 BEAARM O=C([O-])[C@@H]1CCC(=O)C[C@H]1Cc1ccccc1 ZINC000000267948 182746689 /nfs/dbraw/zinc/74/66/89/182746689.db2.gz LCVCSJWXLZGDMI-DGCLKSJQSA-N -1 0 232.279 2.299 50 0 BEAARM O=C([O-])[C@@H]1CC(=O)c2cccc(Cl)c21 ZINC000057496367 182774508 /nfs/dbraw/zinc/77/45/08/182774508.db2.gz ZCABVHSHTGBTSM-ZCFIWIBFSA-N -1 0 210.616 2.095 50 0 BEAARM O=[S@@]([O-])c1cccc(Br)c1 ZINC000036533433 182965255 /nfs/dbraw/zinc/96/52/55/182965255.db2.gz XZAHIVMEYRETEK-UHFFFAOYSA-N -1 0 221.075 2.030 50 0 BEAARM O=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000040450022 182969167 /nfs/dbraw/zinc/96/91/67/182969167.db2.gz NQYWTBZSDNPDLQ-UHFFFAOYSA-N -1 0 212.661 2.152 50 0 BEAARM CCCCc1ccc(-n2nn[n-]c2=S)cc1 ZINC000006172966 169019959 /nfs/dbraw/zinc/01/99/59/169019959.db2.gz NWIVURKKUPQJOZ-UHFFFAOYSA-N -1 0 234.328 2.294 50 0 BEAARM O=c1[n-]c(=S)[nH]nc1-c1ccc(F)c(F)c1 ZINC000003888565 183252880 /nfs/dbraw/zinc/25/28/80/183252880.db2.gz JXUKXRHVTUCMBP-UHFFFAOYSA-N -1 0 241.222 2.185 50 0 BEAARM [O-]c1c(F)cccc1I ZINC000026892777 183254195 /nfs/dbraw/zinc/25/41/95/183254195.db2.gz ZFARONFWYBCKDO-UHFFFAOYSA-N -1 0 237.999 2.136 50 0 BEAARM Oc1ccc([C@@H]2NCCc3nc[nH]c32)c(Cl)c1 ZINC000065492485 183279051 /nfs/dbraw/zinc/27/90/51/183279051.db2.gz BZADJEZAGGDANS-NSHDSACASA-N -1 0 249.701 2.004 50 0 BEAARM [O-]c1cc(F)cc(F)c1Br ZINC000002575683 183259807 /nfs/dbraw/zinc/25/98/07/183259807.db2.gz AGMQCXYWIMAOMT-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=c1[n-]c(-c2ccccc2)nnc1C(F)(F)F ZINC000013396788 183306444 /nfs/dbraw/zinc/30/64/44/183306444.db2.gz PMBBUPDULTZZHL-UHFFFAOYSA-N -1 0 241.172 2.263 50 0 BEAARM CCCOc1ccc(CC(=O)[O-])cc1OC ZINC000003002735 169317854 /nfs/dbraw/zinc/31/78/54/169317854.db2.gz SGQLGSKBIIHNBL-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 biogenic BEAARM O=Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000000035748 383818941 /nfs/dbraw/zinc/81/89/41/383818941.db2.gz WOAXPFPTVKBPAC-UHFFFAOYSA-N -1 0 216.192 2.457 50 0 biogenic BEAARM FC(F)(F)c1ccc2n[nH]c(=S)n2c1 ZINC000000203877 383842313 /nfs/dbraw/zinc/84/23/13/383842313.db2.gz KQDBGOYFEMRBJM-UHFFFAOYSA-N -1 0 219.191 2.037 50 0 BEAARM O=Cc1cccc(OCc2occc2C(=O)[O-])c1 ZINC000035432651 383858621 /nfs/dbraw/zinc/85/86/21/383858621.db2.gz BWMVXNOPPLVQCY-UHFFFAOYSA-N -1 0 246.218 2.369 50 0 BEAARM O=C([O-])Cc1cccc(C(F)(F)F)c1 ZINC000000119824 383830294 /nfs/dbraw/zinc/83/02/94/383830294.db2.gz BLXXCCIBGGBDHI-UHFFFAOYSA-N -1 0 204.147 2.333 50 0 BEAARM O=C([O-])CCOc1cccc(Br)c1 ZINC000003099268 383998738 /nfs/dbraw/zinc/99/87/38/383998738.db2.gz XXAKGQROEOIMKK-UHFFFAOYSA-N -1 0 245.072 2.303 50 0 BEAARM Cn1[n-]c(CSc2ccccc2)cc1=O ZINC000003105781 383999407 /nfs/dbraw/zinc/99/94/07/383999407.db2.gz MTWHAGPGVFKCQH-UHFFFAOYSA-N -1 0 220.297 2.418 50 0 BEAARM O=C([O-])Cc1c[nH]c2cc(Cl)ccc12 ZINC000001852046 383938152 /nfs/dbraw/zinc/93/81/52/383938152.db2.gz KKJVTNQWFSAWSK-UHFFFAOYSA-N -1 0 209.632 2.448 50 0 BEAARM O=C([O-])/C=C/C=C/c1ccc2c(c1)OCO2 ZINC000001870371 383938412 /nfs/dbraw/zinc/93/84/12/383938412.db2.gz RHBGITBPARBDPH-ZPUQHVIOSA-N -1 0 218.208 2.069 50 0 biogenic,in-vitro BEAARM O=C([O-])Cc1c(F)c(F)c(F)c(F)c1F ZINC000001845857 383939337 /nfs/dbraw/zinc/93/93/37/383939337.db2.gz LGCODSNZJOVMHV-UHFFFAOYSA-N -1 0 226.100 2.009 50 0 BEAARM O=C([O-])CCC(=O)c1cc(F)ccc1F ZINC000002378722 383959233 /nfs/dbraw/zinc/95/92/33/383959233.db2.gz SNFMCIZLSODNLD-UHFFFAOYSA-N -1 0 214.167 2.012 50 0 BEAARM O=C([O-])CCCC(=O)c1ccc(F)cc1F ZINC000002378718 383959710 /nfs/dbraw/zinc/95/97/10/383959710.db2.gz PZANFSIBAIORCB-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM O=C([O-])CCCC(=O)c1cc(F)cc(F)c1 ZINC000002378681 383959756 /nfs/dbraw/zinc/95/97/56/383959756.db2.gz CSMRUFBXHPCLQW-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM Cc1nc(-c2c[nH]cc2C(=O)[O-])cs1 ZINC000037245236 383965342 /nfs/dbraw/zinc/96/53/42/383965342.db2.gz BJUBKZBRKKYOHV-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM O=C([O-])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002557477 383974042 /nfs/dbraw/zinc/97/40/42/383974042.db2.gz PZFOYQMHPXPSPA-UHFFFAOYSA-N -1 0 248.065 2.407 50 0 BEAARM O=C([O-])CCC(=O)OCCCc1ccccc1 ZINC000002552056 383974155 /nfs/dbraw/zinc/97/41/55/383974155.db2.gz HITVXFZLGRACID-UHFFFAOYSA-N -1 0 236.267 2.027 50 0 BEAARM O=C([O-])c1ccc(OCc2ccccc2F)nc1 ZINC000069282989 384039633 /nfs/dbraw/zinc/03/96/33/384039633.db2.gz WLPVABYOBICUEN-UHFFFAOYSA-N -1 0 247.225 2.498 50 0 BEAARM O=C([O-])C(=O)Cc1ccc2ccccc2c1 ZINC000005521335 384118996 /nfs/dbraw/zinc/11/89/96/384118996.db2.gz GTZXBCWKXWCNNO-UHFFFAOYSA-N -1 0 214.220 2.036 50 0 BEAARM O=C([O-])c1ncc(Cl)cc1Br ZINC000040566547 384158689 /nfs/dbraw/zinc/15/86/89/384158689.db2.gz IUWXGYGVXBPNHT-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM COc1cc(C(=O)[O-])nc2ccc(C)cc21 ZINC000071775331 384177470 /nfs/dbraw/zinc/17/74/70/384177470.db2.gz YQOFMFVCMYKGKS-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM O=C([O-])c1cc(F)c(F)c(Br)c1 ZINC000071792128 384180080 /nfs/dbraw/zinc/18/00/80/384180080.db2.gz PBUNICLVOHJWRN-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])c1cc(Cl)ncc1OC(F)(F)F ZINC000118592383 384204669 /nfs/dbraw/zinc/20/46/69/384204669.db2.gz MXTVKRCSGPEYAX-UHFFFAOYSA-N -1 0 241.552 2.332 50 0 BEAARM O=C([O-])CC(=O)Nc1cccc(Cl)c1Cl ZINC000009304546 384242417 /nfs/dbraw/zinc/24/24/17/384242417.db2.gz PZQOGOWPSSDQCX-UHFFFAOYSA-N -1 0 248.065 2.407 50 0 BEAARM Cc1cc(C)c2c(C3CC3)nn(CC(=O)[O-])c2n1 ZINC000012395217 384316356 /nfs/dbraw/zinc/31/63/56/384316356.db2.gz KHRQTNIJKWGROM-UHFFFAOYSA-N -1 0 245.282 2.010 50 0 BEAARM O=C([O-])C[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000011628837 384292349 /nfs/dbraw/zinc/29/23/49/384292349.db2.gz MAJNVSRIBVPQJP-LLVKDONJSA-N -1 0 248.278 2.426 50 0 BEAARM O=C([O-])CSc1cc(-c2ccccc2)ncn1 ZINC000011768885 384294180 /nfs/dbraw/zinc/29/41/80/384294180.db2.gz XBWZIQUVDKYKJX-UHFFFAOYSA-N -1 0 246.291 2.320 50 0 BEAARM Cc1nc(C(=O)[O-])c(C(=O)c2ccccc2)s1 ZINC000011919833 384301172 /nfs/dbraw/zinc/30/11/72/384301172.db2.gz PBDDMVVRMQQXMG-UHFFFAOYSA-N -1 0 247.275 2.381 50 0 BEAARM Nc1ccc(F)c2sc(=S)[n-]c21 ZINC000095099733 384367132 /nfs/dbraw/zinc/36/71/32/384367132.db2.gz SANPYYKDGIFRBV-UHFFFAOYSA-N -1 0 200.263 2.306 50 0 BEAARM O=C([O-])COc1cccc(Oc2ccccn2)c1 ZINC000012606623 384328797 /nfs/dbraw/zinc/32/87/97/384328797.db2.gz WWSNMVHHPWXBLR-UHFFFAOYSA-N -1 0 245.234 2.337 50 0 BEAARM O=C([O-])c1n[nH]c2cccc(Br)c21 ZINC000014983459 384411801 /nfs/dbraw/zinc/41/18/01/384411801.db2.gz IQVZPISNPRYBGH-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccnc(Cl)c1C(F)(F)F ZINC000079058204 384482589 /nfs/dbraw/zinc/48/25/89/384482589.db2.gz DIPOFUPESWIQSO-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM CCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921309 384545848 /nfs/dbraw/zinc/54/58/48/384545848.db2.gz VAGIPZMCNVQVBI-JTQLQIEISA-N -1 0 227.304 2.032 50 0 BEAARM CC(C)=CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921002 384545882 /nfs/dbraw/zinc/54/58/82/384545882.db2.gz LMVXWRHVBXDDCA-LLVKDONJSA-N -1 0 239.315 2.199 50 0 BEAARM O=C([O-])c1cc2c(cc1F)C(=O)CCC2 ZINC000205846737 384568912 /nfs/dbraw/zinc/56/89/12/384568912.db2.gz RBNZZVKHQPYOGE-UHFFFAOYSA-N -1 0 208.188 2.043 50 0 BEAARM O=C([O-])CCNC(=O)c1ccc2ccccc2c1 ZINC000020282125 384609079 /nfs/dbraw/zinc/60/90/79/384609079.db2.gz UWCKYMSSNVSTQI-UHFFFAOYSA-N -1 0 243.262 2.044 50 0 BEAARM O=C([O-])Cc1cc(-c2ccc(F)cc2)on1 ZINC000020270419 384609228 /nfs/dbraw/zinc/60/92/28/384609228.db2.gz ZVHVHPPPJAWTRL-UHFFFAOYSA-N -1 0 221.187 2.108 50 0 BEAARM Nc1cccc(-c2ccc(C(=O)[O-])o2)c1 ZINC000073640283 384656635 /nfs/dbraw/zinc/65/66/35/384656635.db2.gz HGELRAZDZWENED-UHFFFAOYSA-N -1 0 203.197 2.227 50 0 BEAARM O=C([O-])c1cccc(/C=C/c2ccnnc2)c1 ZINC000097098196 384708158 /nfs/dbraw/zinc/70/81/58/384708158.db2.gz VWLNEJJTQJFYGG-SNAWJCMRSA-N -1 0 226.235 2.345 50 0 BEAARM Cc1ccc2cc(F)cc(C(=O)[O-])c2n1 ZINC000082769956 384715152 /nfs/dbraw/zinc/71/51/52/384715152.db2.gz GNLAJVSAXUGDHM-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM Cc1ccc(Sc2nc(=N)s[n-]2)cc1 ZINC000053994434 384815755 /nfs/dbraw/zinc/81/57/55/384815755.db2.gz KOICKUOHRFCPJD-UHFFFAOYSA-N -1 0 223.326 2.410 50 0 BEAARM CC(C)(C(=O)[O-])c1ccc(F)c(F)c1 ZINC000055236570 384876679 /nfs/dbraw/zinc/87/66/79/384876679.db2.gz KMAOUWGBMHEARD-UHFFFAOYSA-N -1 0 200.184 2.327 50 0 BEAARM O=C([O-])c1c(Cl)ccnc1C(F)(F)F ZINC000084235410 384851503 /nfs/dbraw/zinc/85/15/03/384851503.db2.gz LORVMHLMFSWALD-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1nc(-c2ccccc2)nc(C)c1C(=O)[O-] ZINC000054836139 384858897 /nfs/dbraw/zinc/85/88/97/384858897.db2.gz XDACGVOBMUKSSL-UHFFFAOYSA-N -1 0 228.251 2.459 50 0 BEAARM O=C([O-])c1cn2cccc(C(F)(F)F)c2n1 ZINC000084845534 384902065 /nfs/dbraw/zinc/90/20/65/384902065.db2.gz QRXSLIVFFDRFEB-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM O=Cc1cc(F)c([O-])c(Br)c1 ZINC000060191706 385074370 /nfs/dbraw/zinc/07/43/70/385074370.db2.gz FSLFKQZWBRMALB-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM O=C([O-])c1c(O)cnc2ccc(Cl)cc21 ZINC000059325727 385046432 /nfs/dbraw/zinc/04/64/32/385046432.db2.gz KDQCRVUJRDKQLC-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM COC(=O)c1ccc2c(c1)[C@@H](CC(=O)[O-])CCC2 ZINC000407985655 385111280 /nfs/dbraw/zinc/11/12/80/385111280.db2.gz FDQUTDCTRXZYFY-SNVBAGLBSA-N -1 0 248.278 2.368 50 0 BEAARM O=C([O-])Cc1ccc(-c2ccncc2)cc1 ZINC000031997473 385117079 /nfs/dbraw/zinc/11/70/79/385117079.db2.gz GJIXKSPODUBJOL-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM O=C([O-])C1(Cc2ccc(F)cc2)CCOCC1 ZINC000061674713 385129619 /nfs/dbraw/zinc/12/96/19/385129619.db2.gz CPOLLHRJRHXYKR-UHFFFAOYSA-N -1 0 238.258 2.250 50 0 BEAARM O=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000061811191 385139206 /nfs/dbraw/zinc/13/92/06/385139206.db2.gz XDMDJHYHYBFBIH-UHFFFAOYSA-N -1 0 230.223 2.312 50 0 BEAARM O=C([O-])/C=C\C(=O)Nc1cccc2ccccc21 ZINC000031623617 385090649 /nfs/dbraw/zinc/09/06/49/385090649.db2.gz DNIIAZFRGKFYSJ-HJWRWDBZSA-N -1 0 241.246 2.419 50 0 BEAARM CC[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000062878473 385193949 /nfs/dbraw/zinc/19/39/49/385193949.db2.gz PZMPMVBJNRCKRV-LBPRGKRZSA-N -1 0 243.303 2.108 50 0 BEAARM S=c1[n-]nc(CCc2nc3ccccc3[nH]2)o1 ZINC000061957880 385148463 /nfs/dbraw/zinc/14/84/63/385148463.db2.gz UTFZWYRZCCKVCN-UHFFFAOYSA-N -1 0 246.295 2.020 50 0 BEAARM Cc1ccc2nc(N3CC(C(=O)[O-])C3)sc2c1 ZINC000061957911 385149161 /nfs/dbraw/zinc/14/91/61/385149161.db2.gz NYQYJCHZDRIXHA-UHFFFAOYSA-N -1 0 248.307 2.126 50 0 BEAARM Cc1[nH]c(=O)c(C(=O)[O-])cc1-c1ccccc1 ZINC000062182309 385162970 /nfs/dbraw/zinc/16/29/70/385162970.db2.gz WJXDFYJPIUSOMT-UHFFFAOYSA-N -1 0 229.235 2.049 50 0 BEAARM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000032628142 385175125 /nfs/dbraw/zinc/17/51/25/385175125.db2.gz BIYXUNJTZYRILK-LLVKDONJSA-N -1 0 231.292 2.155 50 0 biogenic BEAARM O=C([O-])C[C@H]1CNc2ccccc2S1 ZINC000032627193 385176086 /nfs/dbraw/zinc/17/60/86/385176086.db2.gz WHXREQRBHITPQZ-ZETCQYMHSA-N -1 0 209.270 2.048 50 0 BEAARM O=C([O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000082929763 385696034 /nfs/dbraw/zinc/69/60/34/385696034.db2.gz CMKNMANWVVJYCN-LLVKDONJSA-N -1 0 205.257 2.440 50 0 BEAARM O=C([O-])[C@H](O)c1cc(Cl)cc(F)c1Cl ZINC000258315810 385776170 /nfs/dbraw/zinc/77/61/70/385776170.db2.gz TZIDJLDGHQNUHI-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@H](O)c1cc(F)cc(Cl)c1Cl ZINC000263623614 386157113 /nfs/dbraw/zinc/15/71/13/386157113.db2.gz IZWKVCJESLXARW-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](O)c1c(Cl)ccc(F)c1Cl ZINC000263624080 386157611 /nfs/dbraw/zinc/15/76/11/386157611.db2.gz NFKGLWIKJNXAPX-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@H](O)c1cc(Cl)cc(Cl)c1F ZINC000263623339 386157901 /nfs/dbraw/zinc/15/79/01/386157901.db2.gz GQYMIQUECIDYKL-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@H](O)c1ccc(Cl)c(F)c1Cl ZINC000263624563 386159395 /nfs/dbraw/zinc/15/93/95/386159395.db2.gz RPOUYWJFZYEAFV-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])CCc1c(F)ccc(F)c1F ZINC000064219854 386587098 /nfs/dbraw/zinc/58/70/98/386587098.db2.gz PRIWFTDRLYXFQT-UHFFFAOYSA-N -1 0 204.147 2.121 50 0 BEAARM O=C([O-])c1coc(-c2c(F)cccc2F)n1 ZINC000051075346 386759088 /nfs/dbraw/zinc/75/90/88/386759088.db2.gz MEFTWLJTJDOLHS-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM Cc1ccnc(NC(=O)C(C)(C)C)c1C(=O)[O-] ZINC000575440299 387127622 /nfs/dbraw/zinc/12/76/22/387127622.db2.gz GNSBDOJNKJPTND-UHFFFAOYSA-N -1 0 236.271 2.073 50 0 BEAARM O=C([O-])[C@H]1CC[C@H](O[C@H]2CCCCO2)CC1 ZINC000575442676 387145029 /nfs/dbraw/zinc/14/50/29/387145029.db2.gz BBEOHROEESSZBN-DCAQKATOSA-N -1 0 228.288 2.173 50 0 BEAARM O=c1c2c([n-]n1-c1ccccc1)CCCC2 ZINC000095011313 387154401 /nfs/dbraw/zinc/15/44/01/387154401.db2.gz AEFGPGXDVZJXEM-UHFFFAOYSA-N -1 0 214.268 2.044 50 0 BEAARM Cc1[nH]nc(Nc2ccccc2)c1C(=O)[O-] ZINC000039648396 387267203 /nfs/dbraw/zinc/26/72/03/387267203.db2.gz KUVGVYIZXUNKKJ-UHFFFAOYSA-N -1 0 217.228 2.160 50 0 BEAARM C[C@@H](CCC(=O)[O-])C(=O)c1ccccc1 ZINC000075613020 387298668 /nfs/dbraw/zinc/29/86/68/387298668.db2.gz CVWMDGKRYGCFTF-VIFPVBQESA-N -1 0 206.241 2.370 50 0 BEAARM O=c1c2c([n-]n1-c1ccccc1)CCC2 ZINC000006344852 387372070 /nfs/dbraw/zinc/37/20/70/387372070.db2.gz XTVSZSYGOCWZGH-SNVBAGLBSA-N -1 0 200.241 2.189 50 0 BEAARM CC1(C)CC(=O)c2cc(C(=O)[O-])ccc2O1 ZINC000019950999 387519083 /nfs/dbraw/zinc/51/90/83/387519083.db2.gz PTOMGSWLGSRLCK-UHFFFAOYSA-N -1 0 220.224 2.129 50 0 BEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CC=CCC2)c1 ZINC000088749719 387733962 /nfs/dbraw/zinc/73/39/62/387733962.db2.gz ZZSXDMIMZRXTCV-GFCCVEGCSA-N -1 0 245.278 2.223 50 0 BEAARM CCO[N-]C(=O)[C@H](C)Sc1ccccc1 ZINC000036392128 387784351 /nfs/dbraw/zinc/78/43/51/387784351.db2.gz PQYIUCWRTVPXTD-VIFPVBQESA-N -1 0 225.313 2.235 50 0 BEAARM CN(Cc1cccs1)C(=S)[S-] ZINC000006878763 387759464 /nfs/dbraw/zinc/75/94/64/387759464.db2.gz RXFCNFPLGCUAPM-UHFFFAOYSA-N -1 0 203.357 2.395 50 0 BEAARM CNc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000054527155 387827789 /nfs/dbraw/zinc/82/77/89/387827789.db2.gz DHGGWLNECBYZHW-UHFFFAOYSA-N -1 0 219.162 2.445 50 0 BEAARM Cc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC000004382924 177830957 /nfs/dbraw/zinc/83/09/57/177830957.db2.gz MEOHLGIHUVTTHK-UHFFFAOYSA-N -1 0 205.135 2.107 50 0 BEAARM CCc1cccc2ccn(CC(=O)[O-])c21 ZINC000020077963 388670477 /nfs/dbraw/zinc/67/04/77/388670477.db2.gz CSXNPBXXKIKCKK-UHFFFAOYSA-N -1 0 203.241 2.288 50 0 BEAARM O=C([O-])Cc1cccc(NC(=O)c2ccco2)c1 ZINC000020226909 388758211 /nfs/dbraw/zinc/75/82/11/388758211.db2.gz FBGRUBXCKHGRMJ-UHFFFAOYSA-N -1 0 245.234 2.159 50 0 BEAARM O=C([O-])CSc1ncc(-c2ccccc2)cn1 ZINC000000397121 388812822 /nfs/dbraw/zinc/81/28/22/388812822.db2.gz FMALJTPTAZDVPG-UHFFFAOYSA-N -1 0 246.291 2.320 50 0 BEAARM CC1CCN(c2ccc(N)cc2C(=O)[O-])CC1 ZINC000054958167 132365358 /nfs/dbraw/zinc/36/53/58/132365358.db2.gz WLIBXILRXKJRAY-UHFFFAOYSA-N -1 0 234.299 2.203 50 0 BEAARM CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000012649652 133449929 /nfs/dbraw/zinc/44/99/29/133449929.db2.gz XUVJUIHIZBJBPD-BDAKNGLRSA-N -1 0 228.288 2.219 50 0 BEAARM C[C@@H](CN(C)c1ncc(Cl)cc1F)C(=O)[O-] ZINC000263548492 135359408 /nfs/dbraw/zinc/35/94/08/135359408.db2.gz IWWUKHQIELYSHC-LURJTMIESA-N -1 0 246.669 2.031 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000044981707 398092375 /nfs/dbraw/zinc/09/23/75/398092375.db2.gz XSRFEEQJQGPUOT-NSHDSACASA-N -1 0 237.299 2.230 50 0 BEAARM O=C([O-])[C@@H]1COc2ccc(Br)cc21 ZINC000059540956 398075821 /nfs/dbraw/zinc/07/58/21/398075821.db2.gz YWYNFOBRXXTNHA-SSDOTTSWSA-N -1 0 243.056 2.010 50 0 BEAARM CC(C)(C(=O)[O-])c1cncc(Br)c1 ZINC000095707219 166514471 /nfs/dbraw/zinc/51/44/71/166514471.db2.gz IWSACRJRTVWJOG-UHFFFAOYSA-N -1 0 244.088 2.206 50 0 BEAARM CC(C)(C)OC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000015443027 166643909 /nfs/dbraw/zinc/64/39/09/166643909.db2.gz LMAPTDDADPIENX-UHFFFAOYSA-N -1 0 243.303 2.251 50 0 BEAARM CC(C)NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000238943 167082354 /nfs/dbraw/zinc/08/23/54/167082354.db2.gz LBJUSTCMHUWDQD-ZANVPECISA-N -1 0 241.331 2.038 50 0 biogenic BEAARM CC(C)c1ccccc1N1C[C@H](C(=O)[O-])C[C@@H]1O ZINC000064038011 167639946 /nfs/dbraw/zinc/63/99/46/167639946.db2.gz WUHLHTXBWLRYKD-MFKMUULPSA-N -1 0 249.310 2.039 50 0 BEAARM CC/C=C(/C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000097018181 167828953 /nfs/dbraw/zinc/82/89/53/167828953.db2.gz OLKKFABDSLROCQ-UPZNUWHASA-N -1 0 227.304 2.102 50 0 BEAARM CCOC(=O)C(C)=C([O-])c1cccs1 ZINC000015781677 170245646 /nfs/dbraw/zinc/24/56/46/170245646.db2.gz AXWZJOZJORQOKU-ZETCQYMHSA-N -1 0 212.270 2.130 50 0 BEAARM CCOC(=O)c1cc(=O)c2cccc(OC)c2[n-]1 ZINC000014807250 170292985 /nfs/dbraw/zinc/29/29/85/170292985.db2.gz CXMNCVQZLHTTBT-UHFFFAOYSA-N -1 0 247.250 2.126 50 0 BEAARM CCOC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000039217150 170293372 /nfs/dbraw/zinc/29/33/72/170293372.db2.gz GEEBHNUHKOPBFQ-UHFFFAOYSA-N -1 0 246.266 2.063 50 0 BEAARM CCOC(=O)c1cc(=O)c2ccc(OC)cc2[n-]1 ZINC000071405465 170293423 /nfs/dbraw/zinc/29/34/23/170293423.db2.gz YXFSUEXLHPXQCU-UHFFFAOYSA-N -1 0 247.250 2.126 50 0 BEAARM CCOC(=O)c1cc2cc(C(=O)[O-])ccc2[nH]1 ZINC000014985904 170293708 /nfs/dbraw/zinc/29/37/08/170293708.db2.gz CAVYPAYXEMVXMS-UHFFFAOYSA-N -1 0 233.223 2.043 50 0 in-vivo BEAARM CCOCc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000006350711 170458173 /nfs/dbraw/zinc/45/81/73/170458173.db2.gz IIXUZUCKRQSYPN-FNORWQNLSA-N -1 0 236.267 2.330 50 0 BEAARM CCOc1ccc(F)c(C(=O)[O-])c1F ZINC000045805595 170548548 /nfs/dbraw/zinc/54/85/48/170548548.db2.gz JOQRIDVHSRHQMD-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM CCOc1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000003883320 170602362 /nfs/dbraw/zinc/60/23/62/170602362.db2.gz KDKPLQDANXTNQX-UHFFFAOYSA-N -1 0 244.250 2.241 50 0 BEAARM CC[C@H](C(=O)[O-])n1cc(C=O)c2ccccc21 ZINC000004636241 171238843 /nfs/dbraw/zinc/23/88/43/171238843.db2.gz HXWHURCYMNEHJV-LLVKDONJSA-N -1 0 231.251 2.490 50 0 BEAARM CC[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000006702757 171255437 /nfs/dbraw/zinc/25/54/37/171255437.db2.gz YMBLRAJBSUMZCE-QMMMGPOBSA-N -1 0 221.256 2.369 50 0 BEAARM CCc1nc2cc(CC(=O)[O-])ccc2o1 ZINC000001390752 172011070 /nfs/dbraw/zinc/01/10/70/172011070.db2.gz HVDCPJSFTRJARN-UHFFFAOYSA-N -1 0 205.213 2.017 50 0 BEAARM CCc1nc2ccccc2n1C(=O)CCC(=O)[O-] ZINC000169700615 172014508 /nfs/dbraw/zinc/01/45/08/172014508.db2.gz JIAWJBJHVBSEBC-UHFFFAOYSA-N -1 0 246.266 2.104 50 0 BEAARM CCn1c(C)nc2cc(C(=O)[O-])ccc21 ZINC000000343026 172137429 /nfs/dbraw/zinc/13/74/29/172137429.db2.gz CSZOHYLMFSLLFZ-UHFFFAOYSA-N -1 0 204.229 2.063 50 0 BEAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1O ZINC000001747223 174940109 /nfs/dbraw/zinc/94/01/09/174940109.db2.gz JPBRRRVTXWVBIF-NSCUHMNNSA-N -1 0 228.631 2.152 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])no2)cc1 ZINC000000810963 175031076 /nfs/dbraw/zinc/03/10/76/175031076.db2.gz YIQABFVYNGOELP-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000006715205 175034559 /nfs/dbraw/zinc/03/45/59/175034559.db2.gz QFMUHRGHSOZYJH-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(CC(=S)C(=O)[O-])cc1OC ZINC000100289948 175046282 /nfs/dbraw/zinc/04/62/82/175046282.db2.gz CBSSDYIFWLVFGD-POHAHGRESA-N -1 0 240.280 2.059 50 0 biogenic BEAARM COc1ccc(C([O-])=CC(=O)C(F)F)cc1F ZINC000100073892 175053132 /nfs/dbraw/zinc/05/31/32/175053132.db2.gz QNQIALSSNJBPCV-UHFFFAOYSA-N -1 0 246.184 2.241 50 0 BEAARM COc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000000393143 175054013 /nfs/dbraw/zinc/05/40/13/175054013.db2.gz UAMMMFTXGWKQLG-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM COc1ccc(C(=O)CCC(=O)[O-])c(Cl)c1 ZINC000036767444 175054273 /nfs/dbraw/zinc/05/42/73/175054273.db2.gz HBKJAIYXCUJBOC-UHFFFAOYSA-N -1 0 242.658 2.396 50 0 BEAARM COc1ccc(C(=O)[O-])c(OCC2CC2)c1 ZINC000048604819 175064349 /nfs/dbraw/zinc/06/43/49/175064349.db2.gz FZYUINAKIFCAOL-UHFFFAOYSA-N -1 0 222.240 2.182 50 0 BEAARM COc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000002572882 175064740 /nfs/dbraw/zinc/06/47/40/175064740.db2.gz MLCRFQSWSHKLDP-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1ccc(C(=O)[O-])c(Br)c1 ZINC000034304775 175064915 /nfs/dbraw/zinc/06/49/15/175064915.db2.gz SEJVMKLJNIKFAF-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM COc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000001623018 175066431 /nfs/dbraw/zinc/06/64/31/175066431.db2.gz WKGLTBFKXDKKGA-WDEREUQCSA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccc(C)c2[nH]c(C(=O)[O-])c(C)c21 ZINC000096029648 175070423 /nfs/dbraw/zinc/07/04/23/175070423.db2.gz WAPPKLCZQAGVLS-UHFFFAOYSA-N -1 0 219.240 2.492 50 0 BEAARM COc1ccc(C)cc1C(=O)CCCC(=O)[O-] ZINC000011631179 175073242 /nfs/dbraw/zinc/07/32/42/175073242.db2.gz PBBNBNFFKOAZIL-UHFFFAOYSA-N -1 0 236.267 2.441 50 0 BEAARM COc1ccc([C@@H](C)CC(=O)[O-])c(OC)c1 ZINC000020259972 175176007 /nfs/dbraw/zinc/17/60/07/175176007.db2.gz MSGSKCGRIYQKNH-QMMMGPOBSA-N -1 0 224.256 2.282 50 0 BEAARM COc1ccc2[nH]cc(CCC(=O)[O-])c2c1 ZINC000000195148 175202829 /nfs/dbraw/zinc/20/28/29/175202829.db2.gz ZLSZCJIWILJKMR-UHFFFAOYSA-N -1 0 219.240 2.194 50 0 biogenic,in-vivo BEAARM COc1ccc2c(c1)CCC[C@H]2C(=O)[O-] ZINC000039290845 175207450 /nfs/dbraw/zinc/20/74/50/175207450.db2.gz WDLWRQYLECGUNU-LLVKDONJSA-N -1 0 206.241 2.200 50 0 BEAARM COc1ccc2cc(O)c(C(=O)[O-])cc2c1 ZINC000002522740 175224619 /nfs/dbraw/zinc/22/46/19/175224619.db2.gz UDAQUPSJOGVPIX-UHFFFAOYSA-N -1 0 218.208 2.252 50 0 BEAARM COc1cccc(-c2noc(C)c2C(=O)[O-])c1 ZINC000011627976 175238950 /nfs/dbraw/zinc/23/89/50/175238950.db2.gz RLQZALMOGQHUFN-UHFFFAOYSA-N -1 0 233.223 2.357 50 0 BEAARM COc1cccc(CCC(=O)[O-])c1Cl ZINC000004542800 175250826 /nfs/dbraw/zinc/25/08/26/175250826.db2.gz FIOFIGKOEGZNIK-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM C[C@@H](CC(=O)[O-])n1cnc2ccccc21 ZINC000004997812 175646841 /nfs/dbraw/zinc/64/68/41/175646841.db2.gz KHIYKLPZLVFSAZ-QMMMGPOBSA-N -1 0 204.229 2.072 50 0 BEAARM C[C@@H](Sc1nc2ccccc2n1C)C(=O)[O-] ZINC000005298041 176010519 /nfs/dbraw/zinc/01/05/19/176010519.db2.gz RCBCENAMKXAULF-SSDOTTSWSA-N -1 0 236.296 2.139 50 0 BEAARM C[C@@H](c1ccccc1)n1cncc1C(=O)[O-] ZINC000034781186 176024035 /nfs/dbraw/zinc/02/40/35/176024035.db2.gz RGYCCBLTSWHXIS-VIFPVBQESA-N -1 0 216.240 2.191 50 0 BEAARM C[C@@H]1CN(CCC(=O)[O-])c2ccccc21 ZINC000084771504 176286742 /nfs/dbraw/zinc/28/67/42/176286742.db2.gz OVEZBLUOUQSWTI-SECBINFHSA-N -1 0 205.257 2.085 50 0 BEAARM C[C@H](OC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000000393598 177019780 /nfs/dbraw/zinc/01/97/80/177019780.db2.gz NRAOBMLLDCDJMV-LURJTMIESA-N -1 0 243.646 2.362 50 0 BEAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000000155443 177022303 /nfs/dbraw/zinc/02/23/03/177022303.db2.gz DKHJWWRYTONYHB-LURJTMIESA-N -1 0 200.621 2.192 50 0 in-vitro BEAARM C[C@H](Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000000181030 177030221 /nfs/dbraw/zinc/03/02/21/177030221.db2.gz BPGKQRFDAPZJPQ-LURJTMIESA-N -1 0 222.269 2.128 50 0 BEAARM C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000019423815 177376858 /nfs/dbraw/zinc/37/68/58/177376858.db2.gz KHXCNDVMASKGJY-POYBYMJQSA-N -1 0 237.230 2.118 50 0 BEAARM C[C@H]1Cc2cc(CCC(=O)[O-])ccc2O1 ZINC000004975329 177388693 /nfs/dbraw/zinc/38/86/93/177388693.db2.gz BLRNUELPADPXNI-QMMMGPOBSA-N -1 0 206.241 2.027 50 0 BEAARM C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000049815104 177477886 /nfs/dbraw/zinc/47/78/86/177477886.db2.gz BZIXVZCPWVTUKP-RDDDGLTNSA-N -1 0 212.195 2.327 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000000158472 177572346 /nfs/dbraw/zinc/57/23/46/177572346.db2.gz KBQWFOMDKNVSAD-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)[O-])c1 ZINC000049258549 487944731 /nfs/dbraw/zinc/94/47/31/487944731.db2.gz LFCZHHLXSJFIIM-MGPLVRAMSA-N -1 0 240.324 2.025 50 0 BEAARM CSc1ncc(C(=O)[O-])c(-c2ccoc2)n1 ZINC000534670913 323158768 /nfs/dbraw/zinc/15/87/68/323158768.db2.gz YYGWBNSKAABQHS-UHFFFAOYSA-N -1 0 236.252 2.157 50 0 BEAARM Cn1ncc(-c2ccc(F)cc2F)c1C(=O)[O-] ZINC000534669148 323158785 /nfs/dbraw/zinc/15/87/85/323158785.db2.gz XGDDDHKDDBDRPP-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM O=C([O-])c1cc(Cl)nc(Cl)c1F ZINC000217064956 488029307 /nfs/dbraw/zinc/02/93/07/488029307.db2.gz LBFKRKJBMFOOBC-UHFFFAOYSA-N -1 0 209.991 2.226 50 0 BEAARM C[C@]1(O)C[C@@H](c2ccccc2)S[C@@H]1C(=O)[O-] ZINC000004722286 491122232 /nfs/dbraw/zinc/12/22/32/491122232.db2.gz YMQZLPSBXBXWNW-UMNHJUIQSA-N -1 0 238.308 2.069 50 0 BEAARM O=[P@@]([O-])(Cc1ccccc1O)c1ccccc1 ZINC000000198852 519110140 /nfs/dbraw/zinc/11/01/40/519110140.db2.gz QEUQTEDVXPGNOT-UHFFFAOYSA-N -1 0 248.218 2.488 50 0 BEAARM C/C=C/c1cc(C(=O)[O-])cc(OC)c1OC ZINC000007814930 526299736 /nfs/dbraw/zinc/29/97/36/526299736.db2.gz QJMYJBBBKJWVDQ-SNAWJCMRSA-N -1 0 222.240 2.435 50 0 BEAARM CCCCC(=O)c1nc(C(=O)[O-])cs1 ZINC000757127157 582502776 /nfs/dbraw/zinc/50/27/76/582502776.db2.gz XUFNRSGAPMVXAE-UHFFFAOYSA-N -1 0 213.258 2.214 50 0 BEAARM O=C([O-])c1ccc(CN2CCC(F)(F)C2)cc1 ZINC000259365082 598195348 /nfs/dbraw/zinc/19/53/48/598195348.db2.gz GEDBNGASXWZHCN-UHFFFAOYSA-N -1 0 241.237 2.226 50 0 BEAARM C/C=C(/C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000097019343 602077274 /nfs/dbraw/zinc/07/72/74/602077274.db2.gz SWGUOEYNUKOZPE-OQFOIZHKSA-N -1 0 233.267 2.218 50 0 BEAARM CCC([O-])=C1C(=O)CC(c2ccccc2)CC1=O ZINC000102785164 632756522 /nfs/dbraw/zinc/75/65/22/632756522.db2.gz QRVCPVXKWBURJR-UHFFFAOYSA-N -1 0 244.290 2.298 50 0 BEAARM CCP(=O)(CC)c1ccccc1C(=O)[O-] ZINC000000301396 642766747 /nfs/dbraw/zinc/76/67/47/642766747.db2.gz MMTDMNNPAPCCTM-UHFFFAOYSA-N -1 0 226.212 2.413 50 0 BEAARM CCCn1c(=O)c2cc(F)ccc2[n-]c1=S ZINC000952989852 644448732 /nfs/dbraw/zinc/44/87/32/644448732.db2.gz OOCMVZGHDMPHEO-UHFFFAOYSA-N -1 0 238.287 2.234 50 0 BEAARM O=C([O-])c1ccc(/C=C/c2ccnnc2)cc1 ZINC000095434381 644749845 /nfs/dbraw/zinc/74/98/45/644749845.db2.gz YQWKQYIVOMPLNP-OWOJBTEDSA-N -1 0 226.235 2.345 50 0 BEAARM Cc1cccc(-c2cnc(C(=O)[O-])cn2)c1 ZINC000074139774 711439232 /nfs/dbraw/zinc/43/92/32/711439232.db2.gz LPRAJUUGZSLHFC-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1c(OCC2CC2)cccc1C(=O)[O-] ZINC000147918685 1165777089 /nfs/dbraw/zinc/77/70/89/1165777089.db2.gz FTHJRWMVZDWLNO-UHFFFAOYSA-N -1 0 206.241 2.482 50 0 BEAARM O=[S@@]([O-])Cc1cccc(C(F)(F)F)c1 ZINC000199959764 969193248 /nfs/dbraw/zinc/19/32/48/969193248.db2.gz MWHXTCIWHPRUPX-UHFFFAOYSA-N -1 0 224.203 2.427 50 0 BEAARM COC(=O)c1ccc(Br)c([O-])c1F ZINC000261494417 398208209 /nfs/dbraw/zinc/20/82/09/398208209.db2.gz XBHSVMMFEBLTBF-UHFFFAOYSA-N -1 0 249.035 2.080 50 0 BEAARM Cc1cc(Cl)cc(Cl)c1[C@H](O)C(=O)[O-] ZINC000263624876 187331858 /nfs/dbraw/zinc/33/18/58/187331858.db2.gz UVQSVDFRAMJOAZ-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc2ncn([C@H](C)C(=O)[O-])c2cc1C ZINC000010382619 178305486 /nfs/dbraw/zinc/30/54/86/178305486.db2.gz VYZXMWIHJFIFBE-SECBINFHSA-N -1 0 218.256 2.299 50 0 BEAARM O=[S@@]([O-])Cc1ccc(Br)cc1 ZINC000167486488 538942119 /nfs/dbraw/zinc/94/21/19/538942119.db2.gz MEZVXMYYEFEABC-UHFFFAOYSA-N -1 0 235.102 2.171 50 0 BEAARM Cc1ccc(-c2[nH]c(=O)sc2C(=O)[O-])cc1 ZINC000076780642 178315829 /nfs/dbraw/zinc/31/58/29/178315829.db2.gz XUFHAAIHOCJMKE-UHFFFAOYSA-N -1 0 235.264 2.110 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])nn2C)cc1 ZINC000011801573 178318543 /nfs/dbraw/zinc/31/85/43/178318543.db2.gz YEUAPBXLRBVFJX-UHFFFAOYSA-N -1 0 216.240 2.094 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])no2)cc1 ZINC000000614636 178319117 /nfs/dbraw/zinc/31/91/17/178319117.db2.gz DDCNRVJWVNUYDO-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1ccc(-c2nc(N)sc2C(=O)[O-])cc1 ZINC000057523450 178335942 /nfs/dbraw/zinc/33/59/42/178335942.db2.gz XMMPVQRTUPCDGY-UHFFFAOYSA-N -1 0 234.280 2.399 50 0 BEAARM Cc1ccc(-c2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000022123998 178337890 /nfs/dbraw/zinc/33/78/90/178337890.db2.gz LLIUAPBWEACFNI-UHFFFAOYSA-N -1 0 228.251 2.459 50 0 BEAARM Cc1ccc(-n2cc(C(=O)[O-])ccc2=O)cc1C ZINC000049853268 178345655 /nfs/dbraw/zinc/34/56/55/178345655.db2.gz RZPGDKBBSQNSSH-UHFFFAOYSA-N -1 0 243.262 2.153 50 0 BEAARM Cc1cc(C(=O)[O-])n(-c2ccc(C)cc2)n1 ZINC000000732356 178348124 /nfs/dbraw/zinc/34/81/24/178348124.db2.gz LKRSFZWSZCSMOZ-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2C(C)C)cc1 ZINC000011888087 178350050 /nfs/dbraw/zinc/35/00/50/178350050.db2.gz INYMNQBAEUVHNX-UHFFFAOYSA-N -1 0 245.282 2.397 50 0 BEAARM Cc1ccc(C([O-])=CC(=O)C(F)F)cc1 ZINC000100405285 178372115 /nfs/dbraw/zinc/37/21/15/178372115.db2.gz JPMQITHKRYMPHA-UHFFFAOYSA-N -1 0 212.195 2.402 50 0 BEAARM CC(C)(O)CCc1cccc(C(=O)[O-])c1 ZINC000072207364 259315145 /nfs/dbraw/zinc/31/51/45/259315145.db2.gz CLSKRZKJSBWRSO-UHFFFAOYSA-N -1 0 208.257 2.088 50 0 BEAARM Cc1cc(C)c(NC(=O)CCC(=O)[O-])cc1C ZINC000000072385 342672749 /nfs/dbraw/zinc/67/27/49/342672749.db2.gz MQAKIODKLHAONP-UHFFFAOYSA-N -1 0 235.283 2.415 50 0 BEAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2Cl)N1 ZINC000000080566 342673446 /nfs/dbraw/zinc/67/34/46/342673446.db2.gz JMNONJXMGLSVNV-BDAKNGLRSA-N -1 0 243.715 2.128 50 0 BEAARM O=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000000120453 342675388 /nfs/dbraw/zinc/67/53/88/342675388.db2.gz RATSANVPHHXDCT-UHFFFAOYSA-N -1 0 206.119 2.283 50 0 BEAARM CCC[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000132656 342676219 /nfs/dbraw/zinc/67/62/19/342676219.db2.gz QNGCVTKJHOBMQR-NSHDSACASA-N -1 0 245.282 2.295 50 0 BEAARM Cc1cc(C)cc(NC(=O)CCC(=O)[O-])c1 ZINC000000142997 342677049 /nfs/dbraw/zinc/67/70/49/342677049.db2.gz FIUYHKALQQJECD-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM Cc1ccc(NC(=O)CCC(=O)[O-])c(C)c1 ZINC000000143397 342677085 /nfs/dbraw/zinc/67/70/85/342677085.db2.gz HQTDVYMOUQKBBR-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM CSc1ncc(C(=O)[O-])n1Cc1ccccc1 ZINC000000159065 342678064 /nfs/dbraw/zinc/67/80/64/342678064.db2.gz IZYNFRZAKQERPQ-UHFFFAOYSA-N -1 0 248.307 2.352 50 0 BEAARM CC(=O)c1c(C)n(C2CC2)c(C)c1C(=O)[O-] ZINC000000161935 342678305 /nfs/dbraw/zinc/67/83/05/342678305.db2.gz JSEIYOKZAHNTFI-UHFFFAOYSA-N -1 0 221.256 2.341 50 0 BEAARM CC(C)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000262757 342681710 /nfs/dbraw/zinc/68/17/10/342681710.db2.gz FBUFPMCSGREAOI-SNVBAGLBSA-N -1 0 247.294 2.248 50 0 BEAARM Cc1sc2[n-]c(=S)n(C)c(=O)c2c1C ZINC000000309853 342682810 /nfs/dbraw/zinc/68/28/10/342682810.db2.gz GNCWNPBBEFFQFM-UHFFFAOYSA-N -1 0 226.326 2.274 50 0 BEAARM C[C@H](C[C@H](C)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000000345918 342684329 /nfs/dbraw/zinc/68/43/29/342684329.db2.gz XPYGARPDBLWJQB-VHSXEESVSA-N -1 0 235.283 2.372 50 0 BEAARM O=C([O-])c1cc(F)c(Cl)nc1Cl ZINC000000403189 342686828 /nfs/dbraw/zinc/68/68/28/342686828.db2.gz LTDGKGCHRNNCAC-UHFFFAOYSA-N -1 0 209.991 2.226 50 0 BEAARM O=C([O-])c1ccc(Br)s1 ZINC000000042559 342671080 /nfs/dbraw/zinc/67/10/80/342671080.db2.gz COWZPSUDTMGBAT-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 in-vitro BEAARM O=S(=O)([O-])c1ccc2ccccc2c1 ZINC000001554037 342702858 /nfs/dbraw/zinc/70/28/58/342702858.db2.gz KVBGVZZKJNLNJU-UHFFFAOYSA-N -1 0 208.238 2.087 50 0 investigational BEAARM O=C([O-])c1ccc(NC(=O)CC2CC2)cc1 ZINC000036971084 538961422 /nfs/dbraw/zinc/96/14/22/538961422.db2.gz BWPKOJMRXGLQQD-UHFFFAOYSA-N -1 0 219.240 2.123 50 0 BEAARM O=S(=O)([O-])Oc1ccc2ccccc2c1 ZINC000001681590 342708675 /nfs/dbraw/zinc/70/86/75/342708675.db2.gz HXEZIDSFDHEIIQ-UHFFFAOYSA-N -1 0 224.237 2.021 50 0 BEAARM CO[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000001734855 342711833 /nfs/dbraw/zinc/71/18/33/342711833.db2.gz OFASTQPKCTUSPZ-MRVPVSSYSA-N -1 0 200.621 2.112 50 0 BEAARM C[C@@H](C(=O)[O-])N1c2cccc3cccc(c23)C1=O ZINC000004195488 342743713 /nfs/dbraw/zinc/74/37/13/342743713.db2.gz JFJNKFCRNNIBAI-QMMMGPOBSA-N -1 0 241.246 2.273 50 0 BEAARM O=C([O-])c1cccnc1NC1CCCC1 ZINC000004216363 342744475 /nfs/dbraw/zinc/74/44/75/342744475.db2.gz BNPHCDCKTRSFKH-UHFFFAOYSA-N -1 0 206.245 2.134 50 0 BEAARM O=C([O-])c1cnn(-c2ccccc2)c1Cl ZINC000004243206 342745349 /nfs/dbraw/zinc/74/53/49/342745349.db2.gz SOKCDRLJSDODJA-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM Cc1cc(C(=O)CCC(=O)[O-])cc(C)c1O ZINC000004519860 342748551 /nfs/dbraw/zinc/74/85/51/342748551.db2.gz KKCAMFSPJNWASG-UHFFFAOYSA-N -1 0 222.240 2.057 50 0 BEAARM C[C@H](C(=O)[O-])n1cc(Cl)c(C2CC2)n1 ZINC000002538718 342723317 /nfs/dbraw/zinc/72/33/17/342723317.db2.gz MYKJRLCUEXNZHW-RXMQYKEDSA-N -1 0 214.652 2.060 50 0 BEAARM CCCC(=O)Nc1ccccc1C(=O)[O-] ZINC000002825856 342727254 /nfs/dbraw/zinc/72/72/54/342727254.db2.gz DTHMYEZSBFMJEA-UHFFFAOYSA-N -1 0 207.229 2.123 50 0 BEAARM CC(C)(C)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000003121469 342730532 /nfs/dbraw/zinc/73/05/32/342730532.db2.gz GYLNCOSRTDXBBE-NSHDSACASA-N -1 0 249.310 2.365 50 0 BEAARM CCCCN(C)c1ncc(Cl)c(C(=O)[O-])n1 ZINC000003175685 342731266 /nfs/dbraw/zinc/73/12/66/342731266.db2.gz YZNBLNJBPVVSBL-UHFFFAOYSA-N -1 0 243.694 2.065 50 0 BEAARM COc1c(Br)ccc(C)c1C(=O)[O-] ZINC000003848135 342738227 /nfs/dbraw/zinc/73/82/27/342738227.db2.gz APOARSSCSJLLOD-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM CC(C)n1ncc2c1nc1c(c2C(=O)[O-])CCC1 ZINC000003882666 342738897 /nfs/dbraw/zinc/73/88/97/342738897.db2.gz CFUNVQZNZYZOFZ-UHFFFAOYSA-N -1 0 245.282 2.199 50 0 BEAARM O=C([N-][C@@H]1CC(=O)c2sccc21)C(F)(F)F ZINC000003883585 342738948 /nfs/dbraw/zinc/73/89/48/342738948.db2.gz FKVBTDCXJXCSIZ-RXMQYKEDSA-N -1 0 249.213 2.054 50 0 BEAARM CC(=O)SC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004899636 342754196 /nfs/dbraw/zinc/75/41/96/342754196.db2.gz BCAAXVOKLXDSPD-LLVKDONJSA-N -1 0 238.308 2.210 50 0 in-vitro BEAARM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000006437022 342778064 /nfs/dbraw/zinc/77/80/64/342778064.db2.gz LDFOTDZVZJTBRL-ZETCQYMHSA-N -1 0 210.204 2.119 50 0 BEAARM Cc1cc2[nH]c(CCC(=O)[O-])nc2c(C)c1 ZINC000006677818 342780887 /nfs/dbraw/zinc/78/08/87/342780887.db2.gz GWBPWCASJGEFLO-UHFFFAOYSA-N -1 0 218.256 2.197 50 0 BEAARM CC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000006702756 342781095 /nfs/dbraw/zinc/78/10/95/342781095.db2.gz YMBLRAJBSUMZCE-MRVPVSSYSA-N -1 0 221.256 2.369 50 0 BEAARM Cc1ccc(C(=O)[O-])c(-n2cccn2)c1C ZINC000040449007 178439689 /nfs/dbraw/zinc/43/96/89/178439689.db2.gz TXZBPEUZGQVBIP-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1C ZINC000009187275 342809355 /nfs/dbraw/zinc/80/93/55/342809355.db2.gz ZORBYSLUVKPOQZ-UHFFFAOYSA-N -1 0 239.278 2.306 50 0 BEAARM CC(C)(C)c1[n-][nH]c(=O)c1Br ZINC000008729851 342803766 /nfs/dbraw/zinc/80/37/66/342803766.db2.gz TZYROHZXQHLZMD-UHFFFAOYSA-N -1 0 219.082 2.175 50 0 BEAARM Cc1c(Cl)cccc1NC(=O)CC(=O)[O-] ZINC000010300770 342835255 /nfs/dbraw/zinc/83/52/55/342835255.db2.gz VVNXMYXMBHDKSD-UHFFFAOYSA-N -1 0 227.647 2.062 50 0 BEAARM O=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000010021433 342831300 /nfs/dbraw/zinc/83/13/00/342831300.db2.gz YOUOTTVHRHEWFF-UHFFFAOYSA-N -1 0 246.241 2.198 50 0 BEAARM O=C([O-])[C@H]1O[C@@H]1c1cc(F)c(F)cc1Cl ZINC000097813773 342848685 /nfs/dbraw/zinc/84/86/85/342848685.db2.gz IFGYUMKPTJRVMG-SFYZADRCSA-N -1 0 234.585 2.143 50 0 BEAARM O=C([O-])[C@@H]1O[C@H]1c1cc(F)c(F)cc1Cl ZINC000097813772 342848706 /nfs/dbraw/zinc/84/87/06/342848706.db2.gz IFGYUMKPTJRVMG-JGVFFNPUSA-N -1 0 234.585 2.143 50 0 BEAARM O=C([O-])[C@H]1O[C@H]1c1cc(F)c(F)cc1Cl ZINC000097813775 342848712 /nfs/dbraw/zinc/84/87/12/342848712.db2.gz IFGYUMKPTJRVMG-YUMQZZPRSA-N -1 0 234.585 2.143 50 0 BEAARM O=C([O-])c1cc(COc2ccc(F)cc2)on1 ZINC000012404867 342851506 /nfs/dbraw/zinc/85/15/06/342851506.db2.gz CDPLOXPSTMVOIU-UHFFFAOYSA-N -1 0 237.186 2.091 50 0 BEAARM O=C([O-])c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000012404826 342851588 /nfs/dbraw/zinc/85/15/88/342851588.db2.gz QFPVVKPZLTVMPO-UHFFFAOYSA-N -1 0 249.247 2.237 50 0 BEAARM CCc1cc2c([n-]c(=S)[nH]c2=O)s1 ZINC000012413198 342851773 /nfs/dbraw/zinc/85/17/73/342851773.db2.gz BGYRHJHKSLEPKS-UHFFFAOYSA-N -1 0 212.299 2.210 50 0 BEAARM Cc1c(C(=O)[O-])sc2nc(C)nc(C)c12 ZINC000012505535 342853010 /nfs/dbraw/zinc/85/30/10/342853010.db2.gz AIJMJWLEFKZSRF-UHFFFAOYSA-N -1 0 222.269 2.315 50 0 BEAARM CO[N-]C(=O)COc1ccc(C(C)C)c(C)c1 ZINC000032848421 342883483 /nfs/dbraw/zinc/88/34/83/342883483.db2.gz BYTFNQOIEJNRBQ-UHFFFAOYSA-N -1 0 237.299 2.175 50 0 BEAARM O=C([O-])c1cc(Br)cc2n[nH]cc21 ZINC000014984778 342890161 /nfs/dbraw/zinc/89/01/61/342890161.db2.gz YYONCBWTWPVWRT-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])Cc1noc2ccc(Cl)cc21 ZINC000019946255 398315090 /nfs/dbraw/zinc/31/50/90/398315090.db2.gz SOEYFTOJPIHAOD-UHFFFAOYSA-N -1 0 211.604 2.108 50 0 BEAARM CCCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000016623344 342913490 /nfs/dbraw/zinc/91/34/90/342913490.db2.gz QDBPBQMJOOXSSZ-UHFFFAOYSA-N -1 0 221.256 2.432 50 0 BEAARM O=C([O-])c1cnc2[nH]ccc(Br)c1-2 ZINC000016678073 342914152 /nfs/dbraw/zinc/91/41/52/342914152.db2.gz CGEPFCDRFZLRGQ-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cccnc1-n1cnc2ccccc21 ZINC000019260230 342944585 /nfs/dbraw/zinc/94/45/85/342944585.db2.gz YOFCXZYPFZBZDS-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM CCOc1cc(C(=O)[O-])nc2ccccc21 ZINC000019702140 342953949 /nfs/dbraw/zinc/95/39/49/342953949.db2.gz VNNURCOPSSYKOQ-UHFFFAOYSA-N -1 0 217.224 2.332 50 0 BEAARM CC(C)c1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000019412456 342948035 /nfs/dbraw/zinc/94/80/35/342948035.db2.gz KYOFJYZVRXJUBU-UHFFFAOYSA-N -1 0 249.310 2.405 50 0 BEAARM CC(C)CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc21 ZINC000019843473 342959570 /nfs/dbraw/zinc/95/95/70/342959570.db2.gz DILJOKYJKMYFEU-UHFFFAOYSA-N -1 0 248.282 2.074 50 0 BEAARM Cc1ccc2[nH]cc(CCC(=O)[O-])c2c1 ZINC000020269209 342979607 /nfs/dbraw/zinc/97/96/07/342979607.db2.gz AKIUYHHBFACIEZ-UHFFFAOYSA-N -1 0 203.241 2.494 50 0 BEAARM CCc1cc(OCC(=O)[O-])ccc1Cl ZINC000021952195 343029845 /nfs/dbraw/zinc/02/98/45/343029845.db2.gz VZVWRUYGCCOFBH-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM Cn1c(CCC(=O)[O-])nc2cccc(Cl)c21 ZINC000022688838 343052840 /nfs/dbraw/zinc/05/28/40/343052840.db2.gz LMGDISFVMJXNBH-UHFFFAOYSA-N -1 0 238.674 2.244 50 0 BEAARM O=c1oc2c(cc([O-])cc2Br)s1 ZINC000238716866 343076685 /nfs/dbraw/zinc/07/66/85/343076685.db2.gz UXXDKYUHVKOEJE-UHFFFAOYSA-N -1 0 247.069 2.323 50 0 BEAARM CCc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000026420199 343104762 /nfs/dbraw/zinc/10/47/62/343104762.db2.gz QDZHHSUPZFHQBA-UHFFFAOYSA-N -1 0 230.267 2.348 50 0 BEAARM CC(=O)Oc1ccc2oc(C)c(C(=O)[O-])c2c1 ZINC000000083697 187242369 /nfs/dbraw/zinc/24/23/69/187242369.db2.gz LKHUJOGZLYATHG-UHFFFAOYSA-N -1 0 234.207 2.365 50 0 biogenic BEAARM O=C([O-])[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000000168051 187244023 /nfs/dbraw/zinc/24/40/23/187244023.db2.gz VYFGHUAUIIFACL-GFCCVEGCSA-N -1 0 214.220 2.228 50 0 BEAARM CCCCc1c(C)nc(C2CC2)[nH]c1=O ZINC000008648080 187248667 /nfs/dbraw/zinc/24/86/67/187248667.db2.gz JWELNDOGXWTMGY-UHFFFAOYSA-N -1 0 206.289 2.298 50 0 BEAARM Cc1ccc(C(=O)CCC(=O)CCC(=O)[O-])cc1 ZINC000002508656 187245383 /nfs/dbraw/zinc/24/53/83/187245383.db2.gz QTHAVLUZTVMQOZ-UHFFFAOYSA-N -1 0 248.278 2.392 50 0 BEAARM Cc1cccc(C(=O)Nc2ccccn2)c1O ZINC000012462948 187250139 /nfs/dbraw/zinc/25/01/39/187250139.db2.gz ROKWOWXGVMJLPT-UHFFFAOYSA-N -1 0 228.251 2.348 50 0 BEAARM CCOC(=O)C1=C([O-])c2cc(OC)ccc2CC1 ZINC000034522702 343274343 /nfs/dbraw/zinc/27/43/43/343274343.db2.gz UQLYGZXJQPCYHT-NSHDSACASA-N -1 0 248.278 2.003 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1nc2ccccc2s1 ZINC000034926278 343280495 /nfs/dbraw/zinc/28/04/95/343280495.db2.gz QENQUKIOSLLIGG-BQBZGAKWSA-N -1 0 219.265 2.484 50 0 BEAARM O=C([O-])c1cc(-c2c(F)cccc2F)no1 ZINC000034972856 343281895 /nfs/dbraw/zinc/28/18/95/343281895.db2.gz KFNLXJCGJPSLIF-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM O=[S@@]([O-])c1ccccc1OC(F)(F)F ZINC000036533514 343320154 /nfs/dbraw/zinc/32/01/54/343320154.db2.gz UATRSTYGNMPLSE-UHFFFAOYSA-N -1 0 226.175 2.166 50 0 BEAARM CC(C)c1nc(C(=O)[O-])nn1-c1ccccc1F ZINC000036879359 343326333 /nfs/dbraw/zinc/32/63/33/343326333.db2.gz SXTVMFVDIXCXFW-UHFFFAOYSA-N -1 0 249.245 2.228 50 0 BEAARM CCCc1nc(C(=O)[O-])nn1-c1ccccc1F ZINC000036879357 343326335 /nfs/dbraw/zinc/32/63/35/343326335.db2.gz YUZVZTHGYJRXBT-UHFFFAOYSA-N -1 0 249.245 2.057 50 0 BEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cl)s2)N1 ZINC000036906844 343327553 /nfs/dbraw/zinc/32/75/53/343327553.db2.gz IKBXTCUEVOKTDZ-FFWSUHOLSA-N -1 0 249.744 2.190 50 0 BEAARM O=C([O-])c1ccoc1Cn1cnc2ccccc21 ZINC000035432731 343297100 /nfs/dbraw/zinc/29/71/00/343297100.db2.gz LODFTUFCUGUCAJ-UHFFFAOYSA-N -1 0 242.234 2.376 50 0 BEAARM CCCc1c(C(=O)[O-])[nH]c(C)c1C(C)=O ZINC000036379485 343317041 /nfs/dbraw/zinc/31/70/41/343317041.db2.gz DAQAQWGFAZEZLJ-UHFFFAOYSA-N -1 0 209.245 2.176 50 0 BEAARM O=C([O-])c1onc2cc(Br)ccc21 ZINC000038478330 343375252 /nfs/dbraw/zinc/37/52/52/343375252.db2.gz OVTUMTXURUVLTH-UHFFFAOYSA-N -1 0 242.028 2.289 50 0 BEAARM O=C([O-])c1cc(-c2cc(F)ccc2F)no1 ZINC000037228333 343340582 /nfs/dbraw/zinc/34/05/82/343340582.db2.gz CORJOVLCLCEXNX-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM C[C@@H](CC(=O)c1ccccc1F)C(=O)[O-] ZINC000041219207 343417186 /nfs/dbraw/zinc/41/71/86/343417186.db2.gz SDBOBCHEALYEEF-ZETCQYMHSA-N -1 0 210.204 2.119 50 0 BEAARM CC(C)COc1cccc(CC(=O)[O-])c1 ZINC000042417259 343437100 /nfs/dbraw/zinc/43/71/00/343437100.db2.gz FHYDGAOWKXCFHT-UHFFFAOYSA-N -1 0 208.257 2.349 50 0 BEAARM Nc1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000047474192 343562441 /nfs/dbraw/zinc/56/24/41/343562441.db2.gz QMQQYVJXLOSFLY-UHFFFAOYSA-N -1 0 233.223 2.139 50 0 BEAARM O=C([O-])Cc1ccsc1Br ZINC000082364853 537795364 /nfs/dbraw/zinc/79/53/64/537795364.db2.gz CGQRDVQJIXQIRB-UHFFFAOYSA-N -1 0 221.075 2.138 50 0 BEAARM C[C@H]1CCC(=O)C(=C([O-])c2ccco2)C1 ZINC000043651455 343696809 /nfs/dbraw/zinc/69/68/09/343696809.db2.gz ANGMEORCXOCVFA-DTWKUNHWSA-N -1 0 206.241 2.468 50 0 BEAARM O=C([O-])C(=O)c1ccc2ccccc2c1 ZINC000029563531 343765064 /nfs/dbraw/zinc/76/50/64/343765064.db2.gz UQQMNAKUWQWIMD-UHFFFAOYSA-N -1 0 200.193 2.107 50 0 BEAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC(C)(C)C1 ZINC000307462838 343790118 /nfs/dbraw/zinc/79/01/18/343790118.db2.gz BTWUOMUBNBYAJH-UHFFFAOYSA-N -1 0 243.303 2.155 50 0 BEAARM CCN(CC)C(=O)c1cnc2ccccc2c1O ZINC000000043492 344073074 /nfs/dbraw/zinc/07/30/74/344073074.db2.gz CXMNTCFDJVBULZ-UHFFFAOYSA-N -1 0 244.294 2.010 50 0 BEAARM Cc1nc(Nc2cccnc2)sc1C(=O)[O-] ZINC000087656441 187286214 /nfs/dbraw/zinc/28/62/14/187286214.db2.gz YNCHPIJBMYKRRE-UHFFFAOYSA-N -1 0 235.268 2.288 50 0 BEAARM O=C(C=C([O-])c1cccs1)C(F)(F)F ZINC000100004957 344407962 /nfs/dbraw/zinc/40/79/62/344407962.db2.gz TXBBUSUXYMIVOS-UHFFFAOYSA-N -1 0 222.187 2.452 50 0 in-vivo BEAARM COc1n[nH]c(-c2cccc([C@@H](C)OC)c2)n1 ZINC000426421055 344744149 /nfs/dbraw/zinc/74/41/49/344744149.db2.gz DWPOMLCOYSRAIR-MRVPVSSYSA-N -1 0 233.271 2.188 50 0 BEAARM Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1Cl ZINC000000140805 187298280 /nfs/dbraw/zinc/29/82/80/187298280.db2.gz SNQFRXRWCMCJRX-SNAWJCMRSA-N -1 0 239.658 2.228 50 0 BEAARM CC(/C=C/c1ccc2c(c1)OCO2)=C\C(=O)[O-] ZINC000004996871 187299924 /nfs/dbraw/zinc/29/99/24/187299924.db2.gz WFBLTWGKKQPNHH-SYWUFUJHSA-N -1 0 232.235 2.459 50 0 BEAARM Cc1ccc([C@@H](O)C(C)(C)C(=O)[O-])cc1 ZINC000000167383 178863646 /nfs/dbraw/zinc/86/36/46/178863646.db2.gz AQHNAIWQBJLNNS-SNVBAGLBSA-N -1 0 208.257 2.139 50 0 BEAARM CN(C)/C=C/C(=O)c1ccc(Cl)cc1[O-] ZINC000034455844 345834000 /nfs/dbraw/zinc/83/40/00/345834000.db2.gz XORRWHWHQWINSH-AATRIKPKSA-N -1 0 225.675 2.304 50 0 BEAARM O=C([O-])[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC000685944054 537933664 /nfs/dbraw/zinc/93/36/64/537933664.db2.gz BQGUTRRKDCTWEL-AOOOYVTPSA-N -1 0 220.272 2.137 50 0 BEAARM O=C([O-])c1cccc2[nH]c(C(F)F)nc21 ZINC000062137032 346206029 /nfs/dbraw/zinc/20/60/29/346206029.db2.gz BXTKIICKSORLEJ-UHFFFAOYSA-N -1 0 212.155 2.199 50 0 BEAARM Cc1ccc(Nc2cnn(C)c2C(=O)[O-])c(C)c1 ZINC000005362708 346198438 /nfs/dbraw/zinc/19/84/38/346198438.db2.gz XHYWKUVBHGBLOA-UHFFFAOYSA-N -1 0 245.282 2.479 50 0 BEAARM O=C([O-])c1ccc(OC(=O)C2CCC2)cc1 ZINC000004666348 346252630 /nfs/dbraw/zinc/25/26/30/346252630.db2.gz CHTAFIQLLHWTBM-UHFFFAOYSA-N -1 0 220.224 2.090 50 0 BEAARM Cc1cccc(C(=O)NC2(C(=O)[O-])CCC2)c1C ZINC000095967060 179015175 /nfs/dbraw/zinc/01/51/75/179015175.db2.gz QARIPQNFGYEMHB-UHFFFAOYSA-N -1 0 247.294 2.041 50 0 BEAARM Cc1cccc(C(=O)[O-])c1NC(=O)C1CC1 ZINC000013432437 179026185 /nfs/dbraw/zinc/02/61/85/179026185.db2.gz UIKDIKFADBQKQN-UHFFFAOYSA-N -1 0 219.240 2.042 50 0 BEAARM Cc1cccc(C)c1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000097039202 179031654 /nfs/dbraw/zinc/03/16/54/179031654.db2.gz CUKCVAPYMZPPBK-LLVKDONJSA-N -1 0 249.310 2.287 50 0 BEAARM CCOC(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000000210597 346401705 /nfs/dbraw/zinc/40/17/05/346401705.db2.gz YKSKHCCCACRHDP-UHFFFAOYSA-N -1 0 229.305 2.305 50 0 BEAARM Cc1c(Br)ccc(N)c1C(=O)[O-] ZINC000034754049 229568745 /nfs/dbraw/zinc/56/87/45/229568745.db2.gz DWECHCGAIYTKSL-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM Cc1cccc(Cl)c1NC(=O)/C=C/C(=O)[O-] ZINC000004578720 179107492 /nfs/dbraw/zinc/10/74/92/179107492.db2.gz ZJMVLUAUXIRJIA-AATRIKPKSA-N -1 0 239.658 2.228 50 0 BEAARM CCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000007260866 168563041 /nfs/dbraw/zinc/56/30/41/168563041.db2.gz MUILCOCVGKGNRN-UHFFFAOYSA-N -1 0 207.229 2.123 50 0 BEAARM Cc1cccc2[nH]cc(CCC(=O)[O-])c21 ZINC000020269208 179208471 /nfs/dbraw/zinc/20/84/71/179208471.db2.gz NENSGINLKGHXBM-UHFFFAOYSA-N -1 0 203.241 2.494 50 0 BEAARM Cc1cccc([C@H](NC(=O)C2CCC2)C(=O)[O-])c1 ZINC000084568048 179201943 /nfs/dbraw/zinc/20/19/43/179201943.db2.gz VMGQBMOPIOKYGD-LBPRGKRZSA-N -1 0 247.294 2.037 50 0 BEAARM Cc1ccccc1-c1ccc(C(=O)[O-])c(=O)[nH]1 ZINC000038478095 179235385 /nfs/dbraw/zinc/23/53/85/179235385.db2.gz AMPSYNCRWPTYQJ-UHFFFAOYSA-N -1 0 229.235 2.049 50 0 BEAARM Cc1ccccc1-n1nnc(C(=O)[O-])c1C1CC1 ZINC000011888089 179242921 /nfs/dbraw/zinc/24/29/21/179242921.db2.gz OAAXKSGFTMRHSG-UHFFFAOYSA-N -1 0 243.266 2.151 50 0 BEAARM Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000170622809 179302440 /nfs/dbraw/zinc/30/24/40/179302440.db2.gz QJKZCASIXDQVNY-MNOVXSKESA-N -1 0 247.294 2.434 50 0 BEAARM Cc1n[nH]c(C)c1-c1ccccc1C(=O)[O-] ZINC000000158825 179816967 /nfs/dbraw/zinc/81/69/67/179816967.db2.gz JNHKHFADRGJMJS-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM Cc1nc(C(=O)[O-])c(-c2ccccc2)o1 ZINC000075838776 179891536 /nfs/dbraw/zinc/89/15/36/179891536.db2.gz GEAPKHXZFUKEDK-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1ccc2[nH]c(CSCC(=O)[O-])nc2c1 ZINC000022215990 350088626 /nfs/dbraw/zinc/08/86/26/350088626.db2.gz JWLGCCDSCZCTKI-UHFFFAOYSA-N -1 0 236.296 2.189 50 0 BEAARM Cc1nc2ccc(F)cc2cc1C(=O)[O-] ZINC000000064903 180092337 /nfs/dbraw/zinc/09/23/37/180092337.db2.gz ZPRUQEILFHQVHS-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM Cc1nc2ccccc2n1C(=O)CCCC(=O)[O-] ZINC000000297377 180101252 /nfs/dbraw/zinc/10/12/52/180101252.db2.gz BWINMESZIVCYBC-UHFFFAOYSA-N -1 0 246.266 2.240 50 0 BEAARM Nc1ccc(-c2ccc(C(=O)[O-])o2)cc1F ZINC000725261241 538085780 /nfs/dbraw/zinc/08/57/80/538085780.db2.gz YNYGROOZVKDYCF-UHFFFAOYSA-N -1 0 221.187 2.366 50 0 BEAARM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000001406599 180329481 /nfs/dbraw/zinc/32/94/81/180329481.db2.gz NKCDCNWWMFTZPW-UHFFFAOYSA-N -1 0 234.230 2.326 50 0 BEAARM Cc1nn(C(=O)CCCC(=O)[O-])c2ccccc12 ZINC000006750001 180332922 /nfs/dbraw/zinc/33/29/22/180332922.db2.gz LAGDKFVCJSUZOY-UHFFFAOYSA-N -1 0 246.266 2.240 50 0 BEAARM CC1(C)C[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000232834009 350668393 /nfs/dbraw/zinc/66/83/93/350668393.db2.gz KNSPXEQXZLONBO-LLVKDONJSA-N -1 0 247.294 2.047 50 0 BEAARM O=C([O-])CCNc1cccc2ncccc21 ZINC000001004754 350978510 /nfs/dbraw/zinc/97/85/10/350978510.db2.gz IAQIHXRSKGIPRX-UHFFFAOYSA-N -1 0 216.240 2.121 50 0 BEAARM Cn1c2ccc(C(=O)[O-])cc2nc1C(F)(F)F ZINC000036893517 180615061 /nfs/dbraw/zinc/61/50/61/180615061.db2.gz HTJCOPJZCYJCMM-UHFFFAOYSA-N -1 0 244.172 2.290 50 0 BEAARM CCCC[C@@H](CC)CNC(=O)CCC(=O)[O-] ZINC000002084720 351948057 /nfs/dbraw/zinc/94/80/57/351948057.db2.gz MYPCYAJYIBCWHR-SNVBAGLBSA-N -1 0 229.320 2.184 50 0 biogenic BEAARM Cc1ccc(NCc2n[n-]c(=S)o2)cc1 ZINC000003881273 352384923 /nfs/dbraw/zinc/38/49/23/352384923.db2.gz GVTXJRGATYNVHY-UHFFFAOYSA-N -1 0 221.285 2.279 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1-c1cc[nH]n1 ZINC000725272848 538104705 /nfs/dbraw/zinc/10/47/05/538104705.db2.gz NFZWVBXAHSBTME-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM CCOc1cccc([C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000032010609 352732870 /nfs/dbraw/zinc/73/28/70/352732870.db2.gz IZKXGKMFQATOME-QWRGUYRKSA-N -1 0 206.241 2.273 50 0 BEAARM CC(C)[C@H](CC(=O)NCC(=O)[O-])c1ccccc1 ZINC000195541439 188006069 /nfs/dbraw/zinc/00/60/69/188006069.db2.gz RXLPTPGUOVAABK-LBPRGKRZSA-N -1 0 249.310 2.017 50 0 BEAARM CC(C)(C)c1cc2[nH]cnc(=O)c2s1 ZINC000000116336 188272381 /nfs/dbraw/zinc/27/23/81/188272381.db2.gz AMEMLELAMQEAIA-UHFFFAOYSA-N -1 0 208.286 2.282 50 0 BEAARM CCc1cccc(C)c1NC(=O)/C=C/C(=O)[O-] ZINC000000101815 188272463 /nfs/dbraw/zinc/27/24/63/188272463.db2.gz MCIJUUJSHVBIPT-BQYQJAHWSA-N -1 0 233.267 2.137 50 0 BEAARM O=C([O-])c1cccc(Br)c1 ZINC000000404749 188273335 /nfs/dbraw/zinc/27/33/35/188273335.db2.gz VOIZNVUXCQLQHS-UHFFFAOYSA-N -1 0 201.019 2.147 50 0 BEAARM O=C([N-]C(=O)c1ccccc1)OCC(F)(F)F ZINC000003001612 188275636 /nfs/dbraw/zinc/27/56/36/188275636.db2.gz RKIKQWMBIXWDDC-UHFFFAOYSA-N -1 0 247.172 2.115 50 0 BEAARM Cc1c(C)c(Br)cc(C(=O)[O-])c1O ZINC000057339452 188301809 /nfs/dbraw/zinc/30/18/09/188301809.db2.gz FCKMDHUCFWTDSV-UHFFFAOYSA-N -1 0 245.072 2.470 50 0 BEAARM COc1ccc(Br)c(C(=O)[O-])c1C ZINC000059867797 188302249 /nfs/dbraw/zinc/30/22/49/188302249.db2.gz YCCRLMJCFUNZNA-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM Cc1c(Br)cc(N)cc1C(=O)[O-] ZINC000083890919 188316726 /nfs/dbraw/zinc/31/67/26/188316726.db2.gz SLSYOGCDCXSKSG-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM O=C([O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000095347501 188319115 /nfs/dbraw/zinc/31/91/15/188319115.db2.gz JYPYCJJRDTYMQO-LLVKDONJSA-N -1 0 206.241 2.279 50 0 BEAARM C=C[Si](C)(CC[P@@H](=O)[O-])c1ccccc1 ZINC000195812105 188352818 /nfs/dbraw/zinc/35/28/18/188352818.db2.gz ZLLPQXMPXVKYLV-UHFFFAOYSA-N -1 0 240.315 2.164 50 0 BEAARM Fc1ccc(NCc2n[n-]c(=S)o2)cc1 ZINC000005522179 180979147 /nfs/dbraw/zinc/97/91/47/180979147.db2.gz JJJUDPUJCHMLGO-UHFFFAOYSA-N -1 0 225.248 2.110 50 0 BEAARM O=S(=O)([O-])c1c(Cl)cccc1Cl ZINC000006224338 353591674 /nfs/dbraw/zinc/59/16/74/353591674.db2.gz CVJVWHJVNYJTKA-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM O=C([O-])[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC000011639137 353825411 /nfs/dbraw/zinc/82/54/11/353825411.db2.gz HYHWFZOGQTYMQV-LLVKDONJSA-N -1 0 239.315 2.032 50 0 BEAARM CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1[O-] ZINC000012902965 356560842 /nfs/dbraw/zinc/56/08/42/356560842.db2.gz BYEDXEPIODQKAI-UHFFFAOYSA-N -1 0 232.235 2.318 50 0 biogenic BEAARM CCc1onc(-c2cncs2)c1C(=O)[O-] ZINC000675057565 538479960 /nfs/dbraw/zinc/47/99/60/538479960.db2.gz JEBAKSXQGNWTKE-UHFFFAOYSA-N -1 0 224.241 2.059 50 0 BEAARM CCc1onc(-c2ccncc2F)c1C(=O)[O-] ZINC000675057401 538480237 /nfs/dbraw/zinc/48/02/37/538480237.db2.gz GEFJEUCEESNMEW-UHFFFAOYSA-N -1 0 236.202 2.136 50 0 BEAARM CCCCc1onc(-c2ncc[nH]2)c1C(=O)[O-] ZINC000675057998 538480622 /nfs/dbraw/zinc/48/06/22/538480622.db2.gz UFLUTWNEIQGBKP-UHFFFAOYSA-N -1 0 235.243 2.106 50 0 BEAARM Cc1nc(-c2ccc([S@](=O)[O-])cc2)co1 ZINC000675059184 538484503 /nfs/dbraw/zinc/48/45/03/538484503.db2.gz BSYIJVIGSCEQOC-UHFFFAOYSA-N -1 0 223.253 2.231 50 0 BEAARM Cc1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000221648989 538566897 /nfs/dbraw/zinc/56/68/97/538566897.db2.gz DHHHITAGJGBQFK-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1o[n-]c2nc(C(F)(F)F)cc(=O)c1-2 ZINC000035613210 358006495 /nfs/dbraw/zinc/00/64/95/358006495.db2.gz QBTZHFPNMRCYQE-UHFFFAOYSA-N -1 0 218.134 2.256 50 0 BEAARM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000036889029 361577091 /nfs/dbraw/zinc/57/70/91/361577091.db2.gz JAFLOKLZEDKDEK-JTQLQIEISA-N -1 0 241.237 2.014 50 0 BEAARM Cc1ccc(Br)cc1[S@@](=O)[O-] ZINC000196224845 541375042 /nfs/dbraw/zinc/37/50/42/541375042.db2.gz QBORGKADKDCAAW-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM O=C([O-])c1c(-c2cncs2)noc1C1CC1 ZINC000675057358 541463008 /nfs/dbraw/zinc/46/30/08/541463008.db2.gz CKUBMLYZGXBCDL-UHFFFAOYSA-N -1 0 236.252 2.374 50 0 BEAARM CC(C)N(Cc1ccccc1)C(=O)/C=C/C(=O)[O-] ZINC000002272744 368298510 /nfs/dbraw/zinc/29/85/10/368298510.db2.gz MBTRRCSFQMFEPP-CMDGGOBGSA-N -1 0 247.294 2.064 50 0 BEAARM O=C([O-])c1ccnc2cc(F)c(F)cc21 ZINC000230095759 371845583 /nfs/dbraw/zinc/84/55/83/371845583.db2.gz XTMMEIYWPMYJGJ-UHFFFAOYSA-N -1 0 209.151 2.211 50 0 BEAARM O=C(NCC1CC1)c1ccc([O-])c(Cl)c1 ZINC000019837610 182141542 /nfs/dbraw/zinc/14/15/42/182141542.db2.gz ZTENIVCEKCCZFX-UHFFFAOYSA-N -1 0 225.675 2.185 50 0 BEAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000009937226 374260561 /nfs/dbraw/zinc/26/05/61/374260561.db2.gz UHIVITAEXQENIV-UHFFFAOYSA-N -1 0 222.675 2.436 50 0 BEAARM O=C([O-])c1ccccc1NC(=O)c1cccnc1 ZINC000000226803 182378287 /nfs/dbraw/zinc/37/82/87/182378287.db2.gz JYBNOUMWGUMFBK-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 biogenic BEAARM O=C([O-])/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000004205063 182411548 /nfs/dbraw/zinc/41/15/48/182411548.db2.gz JNDFDEZJZXAHBU-OWOJBTEDSA-N -1 0 240.642 2.209 50 0 BEAARM O=C([O-])CCC(=O)c1ccc2c(c1)CCC2 ZINC000004204566 182434476 /nfs/dbraw/zinc/43/44/76/182434476.db2.gz RFLLWOTWTNVNOR-UHFFFAOYSA-N -1 0 218.252 2.223 50 0 BEAARM O=C([O-])CCCc1nc(-c2cccs2)no1 ZINC000000154394 182442034 /nfs/dbraw/zinc/44/20/34/182442034.db2.gz GTNLKFHXTQTTHW-UHFFFAOYSA-N -1 0 238.268 2.205 50 0 BEAARM O=C([O-])[C@H]1CCCC[C@H]1c1cccnc1 ZINC000062569306 182534584 /nfs/dbraw/zinc/53/45/84/182534584.db2.gz JVDWCSFNPJYXRT-QWRGUYRKSA-N -1 0 205.257 2.440 50 0 BEAARM O=C([O-])c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000037245226 182549426 /nfs/dbraw/zinc/54/94/26/182549426.db2.gz XKPVROAHJNFQAE-UHFFFAOYSA-N -1 0 245.234 2.151 50 0 BEAARM O=C([O-])c1cc(Br)c(Cl)[nH]1 ZINC000032628090 182551689 /nfs/dbraw/zinc/55/16/89/182551689.db2.gz NDXMSHURLVCDLP-UHFFFAOYSA-N -1 0 224.441 2.129 50 0 BEAARM O=C([O-])c1cc(Cl)c(Br)cn1 ZINC000079048094 182554269 /nfs/dbraw/zinc/55/42/69/182554269.db2.gz MMPCYVSHJDWXFZ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1cc(F)ccc1Br ZINC000002512344 182555561 /nfs/dbraw/zinc/55/55/61/182555561.db2.gz OQBMJMJZMDBQSM-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM O=C([O-])c1cc2c(cncc2Br)[nH]1 ZINC000082046800 182558337 /nfs/dbraw/zinc/55/83/37/182558337.db2.gz PDIZMUGQMJBNGV-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1nc2ccccc2o1 ZINC000034926281 182546474 /nfs/dbraw/zinc/54/64/74/182546474.db2.gz ZZTHDEKCVGNAJD-RQJHMYQMSA-N -1 0 203.197 2.016 50 0 BEAARM O=C([O-])c1c(O)c(Cl)cc(Cl)c1O ZINC000020593730 182548732 /nfs/dbraw/zinc/54/87/32/182548732.db2.gz KLXACYSQYFWVLM-UHFFFAOYSA-N -1 0 223.011 2.103 50 0 BEAARM O=C([O-])c1ccc(N2CCCC2)cc1F ZINC000042684467 182568507 /nfs/dbraw/zinc/56/85/07/182568507.db2.gz PMGPRXDYEZSZHN-UHFFFAOYSA-N -1 0 209.220 2.124 50 0 BEAARM O=C([O-])c1ccc(F)cc1OC(F)F ZINC000047203370 182568705 /nfs/dbraw/zinc/56/87/05/182568705.db2.gz RCPCZEHIEZGLER-UHFFFAOYSA-N -1 0 206.119 2.125 50 0 BEAARM O=C([O-])c1ccc(OCc2ccncc2)cc1 ZINC000020281078 182570552 /nfs/dbraw/zinc/57/05/52/182570552.db2.gz BZNNDTCHJWVJGP-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1cccc(-c2ccc(CO)o2)c1 ZINC000004352491 182575204 /nfs/dbraw/zinc/57/52/04/182575204.db2.gz CGTGMIBRYPLXEY-UHFFFAOYSA-N -1 0 218.208 2.137 50 0 biogenic BEAARM O=C([O-])c1cccc(C(=O)c2ccco2)c1 ZINC000049815930 182576070 /nfs/dbraw/zinc/57/60/70/182576070.db2.gz JYIPWWGHUXADLG-UHFFFAOYSA-N -1 0 216.192 2.209 50 0 BEAARM O=C([O-])c1cnn(CC2CCCCC2)c1 ZINC000036777963 182591523 /nfs/dbraw/zinc/59/15/23/182591523.db2.gz BUIWTAWFCROXRE-UHFFFAOYSA-N -1 0 208.261 2.162 50 0 BEAARM O=C([O-])c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000004992767 182588744 /nfs/dbraw/zinc/58/87/44/182588744.db2.gz CYZDFCOGTAHKJY-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])c1cccc2[nH]nc(Br)c21 ZINC000089195768 182579496 /nfs/dbraw/zinc/57/94/96/182579496.db2.gz UUEIWFJZEABBBW-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=Cc1cccn1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000012404609 182873286 /nfs/dbraw/zinc/87/32/86/182873286.db2.gz XZAYKRMTIYRFEF-CYBMUJFWSA-N -1 0 243.262 2.169 50 0 BEAARM CCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000002556527 169010202 /nfs/dbraw/zinc/01/02/02/169010202.db2.gz NIOMUJJKCGJROX-NSHDSACASA-N -1 0 235.283 2.060 50 0 BEAARM CCCN(CCC)c1cc(C(=O)[O-])ccn1 ZINC000019844711 169152466 /nfs/dbraw/zinc/15/24/66/169152466.db2.gz GEZXWYXVYBSDDQ-UHFFFAOYSA-N -1 0 222.288 2.406 50 0 BEAARM [O-]c1cc(Br)cc(F)c1F ZINC000002574963 183257718 /nfs/dbraw/zinc/25/77/18/183257718.db2.gz QAHCQGXGAYRHHW-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM CCCN(CCC)c1cccc(C(=O)[O-])n1 ZINC000003286645 169154387 /nfs/dbraw/zinc/15/43/87/169154387.db2.gz NMVFYGDLIJENSW-UHFFFAOYSA-N -1 0 222.288 2.406 50 0 BEAARM O=c1[nH][n-]c2c1SCc1ccccc1-2 ZINC000000338756 183306380 /nfs/dbraw/zinc/30/63/80/183306380.db2.gz BFCDYINZMSUEHZ-UHFFFAOYSA-N -1 0 204.254 2.388 50 0 BEAARM S=c1[n-]nc(N2CCCCC2)s1 ZINC000019908497 183315087 /nfs/dbraw/zinc/31/50/87/183315087.db2.gz NXYCCXNQSGLOHM-UHFFFAOYSA-N -1 0 201.320 2.191 50 0 BEAARM O=c1[n-]c(C(F)(F)F)nc2c1CCCC2 ZINC000026440933 183307428 /nfs/dbraw/zinc/30/74/28/183307428.db2.gz BCJOPFSBBJDRPE-UHFFFAOYSA-N -1 0 218.178 2.080 50 0 BEAARM O=c1nc(-c2ccc(F)c(Cl)c2)[n-]o1 ZINC000062792737 183307650 /nfs/dbraw/zinc/30/76/50/183307650.db2.gz XGEOHOUCXQNHEM-UHFFFAOYSA-N -1 0 214.583 2.235 50 0 BEAARM O=C1N=CN=C([O-])C1c1ccc(Cl)cc1 ZINC000005263305 183309253 /nfs/dbraw/zinc/30/92/53/183309253.db2.gz AZCIUNXJXVOJGZ-UHFFFAOYSA-N -1 0 222.631 2.208 50 0 BEAARM CCCOc1ccc(CC(=O)[O-])cc1C ZINC000036193815 169317728 /nfs/dbraw/zinc/31/77/28/169317728.db2.gz QWFIWIRMLLQNTR-UHFFFAOYSA-N -1 0 208.257 2.411 50 0 BEAARM CCCSc1ncc(Cl)c(C(=O)[O-])n1 ZINC000007262860 169341861 /nfs/dbraw/zinc/34/18/61/169341861.db2.gz ASIUSORZKWXQHW-UHFFFAOYSA-N -1 0 232.692 2.330 50 0 BEAARM CCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002511637 169375341 /nfs/dbraw/zinc/37/53/41/169375341.db2.gz WTYLEXCGLNFFIN-QMMMGPOBSA-N -1 0 231.292 2.155 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000006363867 166666095 /nfs/dbraw/zinc/66/60/95/166666095.db2.gz JSGHMGKJNZTKGF-RKDXNWHRSA-N -1 0 243.303 2.155 50 0 BEAARM CC(C)(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000000251174 166687974 /nfs/dbraw/zinc/68/79/74/166687974.db2.gz NCTHNAUFIOOQAK-UHFFFAOYSA-N -1 0 248.325 2.019 50 0 BEAARM O=C([O-])COc1ccc(Cl)cc1Cl ZINC000000057143 383822272 /nfs/dbraw/zinc/82/22/72/383822272.db2.gz OVSKIKFHRZPJSS-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 endogenous,in-man BEAARM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000000195915 383843239 /nfs/dbraw/zinc/84/32/39/383843239.db2.gz KGSUAYOKUTTZHA-SECBINFHSA-N -1 0 249.310 2.187 50 0 BEAARM O=C([O-])c1c2cc[nH]c2ncc1C(F)(F)F ZINC000066054330 383844969 /nfs/dbraw/zinc/84/49/69/383844969.db2.gz RQYFNIPEVRIQNX-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000000270400 383851174 /nfs/dbraw/zinc/85/11/74/383851174.db2.gz ZJFCMJDNHPXGBY-SSDOTTSWSA-N -1 0 217.190 2.426 50 0 BEAARM O=C([O-])c1ccc(F)c(Br)c1 ZINC000000389627 383861598 /nfs/dbraw/zinc/86/15/98/383861598.db2.gz ONELILMJNOWXSA-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM Cc1n[nH]c(C)c1Cc1ccc(C(=O)[O-])cc1 ZINC000000468424 383869771 /nfs/dbraw/zinc/86/97/71/383869771.db2.gz YFHGSOJNDAEOAF-UHFFFAOYSA-N -1 0 230.267 2.316 50 0 BEAARM O=C([O-])CCSc1nc2ccccc2[nH]1 ZINC000000122660 383830594 /nfs/dbraw/zinc/83/05/94/383830594.db2.gz LUFHFCKOUJEWSY-UHFFFAOYSA-N -1 0 222.269 2.130 50 0 BEAARM O=[P@@]([O-])(O)/C=C(\Cl)c1ccccc1 ZINC000002900805 383994005 /nfs/dbraw/zinc/99/40/05/383994005.db2.gz QOGZXULVVUEDSG-VURMDHGXSA-N -1 0 218.576 2.402 50 0 BEAARM O=C([O-])CCCc1nc(-c2ccccc2)no1 ZINC000002357513 383959514 /nfs/dbraw/zinc/95/95/14/383959514.db2.gz MZTVBDKRHBBHNR-UHFFFAOYSA-N -1 0 232.239 2.144 50 0 BEAARM O=C([N-][C@H]1CC(=O)c2sccc21)C(F)(F)F ZINC000002505806 383966985 /nfs/dbraw/zinc/96/69/85/383966985.db2.gz FKVBTDCXJXCSIZ-YFKPBYRVSA-N -1 0 249.213 2.054 50 0 BEAARM O=C([O-])Cc1cc(OC(F)(F)F)ccc1F ZINC000002527815 383971098 /nfs/dbraw/zinc/97/10/98/383971098.db2.gz PYCWSPHSXHTRQT-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])Cc1ccc(-c2ccccn2)cc1 ZINC000003633652 384020705 /nfs/dbraw/zinc/02/07/05/384020705.db2.gz KPAUORDXNFURBA-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM O=C([O-])Cc1csc(-c2ccc(O)cc2)n1 ZINC000004206906 384044556 /nfs/dbraw/zinc/04/45/56/384044556.db2.gz RBZPOPOXHFIWRM-UHFFFAOYSA-N -1 0 235.264 2.143 50 0 BEAARM Cc1cc(C(=O)[O-])cc(Br)c1N ZINC000004050446 384037866 /nfs/dbraw/zinc/03/78/66/384037866.db2.gz PVGKGOMPWNLCEV-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM O=C([O-])Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000004078836 384039897 /nfs/dbraw/zinc/03/98/97/384039897.db2.gz VPWSGHUZTRPPSV-UHFFFAOYSA-N -1 0 243.262 2.319 50 0 BEAARM CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)[O-] ZINC000004492880 384063796 /nfs/dbraw/zinc/06/37/96/384063796.db2.gz ZNJFBWYDHIGLCU-RWCMCFKCSA-N -1 0 210.273 2.413 50 0 in-vitro BEAARM CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)[O-] ZINC000004492883 384063928 /nfs/dbraw/zinc/06/39/28/384063928.db2.gz ZNJFBWYDHIGLCU-HWKXXFMVSA-N -1 0 210.273 2.413 50 0 endogenous,in-man BEAARM COc1cc(C(=O)[O-])nc2c(F)cccc12 ZINC000070451511 384108171 /nfs/dbraw/zinc/10/81/71/384108171.db2.gz KQJGPCADSUUGFN-UHFFFAOYSA-N -1 0 221.187 2.081 50 0 BEAARM O=C([O-])c1csc2cnc(Cl)nc12 ZINC000091691384 384138769 /nfs/dbraw/zinc/13/87/69/384138769.db2.gz IFNQGJYKKMXQJF-UHFFFAOYSA-N -1 0 214.633 2.043 50 0 BEAARM Cc1nc(-c2ccccc2)oc1C(=O)[O-] ZINC000006796333 384166414 /nfs/dbraw/zinc/16/64/14/384166414.db2.gz HRFYZRHGBICKAG-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM CCOc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000071867332 384185299 /nfs/dbraw/zinc/18/52/99/384185299.db2.gz CRVNWKFFDWXCGB-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM COc1cc(C)c2nc(C(=O)[O-])cc(OC)c2c1 ZINC000071775234 384177763 /nfs/dbraw/zinc/17/77/63/384177763.db2.gz KLQDQWOSCXCZDM-UHFFFAOYSA-N -1 0 247.250 2.259 50 0 BEAARM CO[C@@H]1CCCC[C@@H]1CCCC(=O)[O-] ZINC000071773679 384178599 /nfs/dbraw/zinc/17/85/99/384178599.db2.gz HJJOXJOKFYPOPJ-NXEZZACHSA-N -1 0 200.278 2.447 50 0 BEAARM O=Cc1cn(CCCC(=O)[O-])c2ccccc12 ZINC000007467955 384179496 /nfs/dbraw/zinc/17/94/96/384179496.db2.gz VHQDVTDPTCDCJX-UHFFFAOYSA-N -1 0 231.251 2.319 50 0 BEAARM O=C([O-])CC[C@@H](O)c1ccc2c(c1)CCCC2 ZINC000009280476 384241050 /nfs/dbraw/zinc/24/10/50/384241050.db2.gz BYQPFMCNFLPFLS-CYBMUJFWSA-N -1 0 234.295 2.464 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1C1CCOCC1 ZINC000036308342 384260151 /nfs/dbraw/zinc/26/01/51/384260151.db2.gz QRNGMKSVMXQJJD-UHFFFAOYSA-N -1 0 223.272 2.155 50 0 BEAARM O=C([O-])Cc1ccc(F)c(OC(F)(F)F)c1 ZINC000012359255 384314725 /nfs/dbraw/zinc/31/47/25/384314725.db2.gz RICXEJYYIREWPA-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM CC(C)CC1(C(=O)N[C@@H](C)CC(=O)[O-])CCC1 ZINC000097019322 384282490 /nfs/dbraw/zinc/28/24/90/384282490.db2.gz OQOJRNBIYFIJCA-JTQLQIEISA-N -1 0 241.331 2.182 50 0 BEAARM O=C([O-])CCSCc1nc2ccccc2[nH]1 ZINC000011730759 384295902 /nfs/dbraw/zinc/29/59/02/384295902.db2.gz QBQCNGGOVIRVHY-UHFFFAOYSA-N -1 0 236.296 2.271 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000011802000 384297094 /nfs/dbraw/zinc/29/70/94/384297094.db2.gz JIPYFKORUPMWKV-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM Cc1nn(C(C)C)c2nc(C)cc(C(=O)[O-])c12 ZINC000011920548 384300225 /nfs/dbraw/zinc/30/02/25/384300225.db2.gz IKZMKCPMCAYBFN-UHFFFAOYSA-N -1 0 233.271 2.327 50 0 BEAARM Cc1cccc(C)c1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000097045156 384303341 /nfs/dbraw/zinc/30/33/41/384303341.db2.gz VZKCGZRMEMTGBL-SECBINFHSA-N -1 0 249.310 2.144 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C1CCC1 ZINC000013169688 384350233 /nfs/dbraw/zinc/35/02/33/384350233.db2.gz DTAZEQDCEJDDAA-UHFFFAOYSA-N -1 0 233.267 2.432 50 0 BEAARM O=C([O-])[C@@H]1Cc2ccc(Br)cc2C1 ZINC000094967035 384324567 /nfs/dbraw/zinc/32/45/67/384324567.db2.gz OMJPTHPPEYUYLP-MRVPVSSYSA-N -1 0 241.084 2.249 50 0 BEAARM CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012649639 384329152 /nfs/dbraw/zinc/32/91/52/384329152.db2.gz XUVJUIHIZBJBPD-DTWKUNHWSA-N -1 0 228.288 2.219 50 0 BEAARM O=C([O-])Cc1cccc(Br)c1F ZINC000016158452 384453386 /nfs/dbraw/zinc/45/33/86/384453386.db2.gz PAWQVTBBRAZDMG-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(N)c1 ZINC000047474196 384456111 /nfs/dbraw/zinc/45/61/11/384456111.db2.gz MPIGMMFWOITZLC-UHFFFAOYSA-N -1 0 247.250 2.447 50 0 BEAARM CC(C)(C)c1nnc(Nc2ccccc2)[n-]c1=O ZINC000016776886 384469952 /nfs/dbraw/zinc/46/99/52/384469952.db2.gz KJZHKKWIYQPONE-UHFFFAOYSA-N -1 0 244.298 2.206 50 0 BEAARM O=Cc1ccc(Br)c(F)c1[O-] ZINC000097437848 384519421 /nfs/dbraw/zinc/51/94/21/384519421.db2.gz BCHBVHMSOBXQFC-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM C[C@]1(c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000049815106 384570012 /nfs/dbraw/zinc/57/00/12/384570012.db2.gz BZIXVZCPWVTUKP-WRWORJQWSA-N -1 0 212.195 2.327 50 0 BEAARM CSc1ncc(Br)cc1C(=O)[O-] ZINC000050044504 384587240 /nfs/dbraw/zinc/58/72/40/384587240.db2.gz JQTCTMUKQWAJNV-UHFFFAOYSA-N -1 0 248.101 2.264 50 0 BEAARM O=C([O-])CSC(=O)c1ccccc1Cl ZINC000020019641 384566914 /nfs/dbraw/zinc/56/69/14/384566914.db2.gz VTGMOEUGKKXVRC-UHFFFAOYSA-N -1 0 230.672 2.298 50 0 BEAARM O=C([O-])CCCc1ccc(F)c(F)c1 ZINC000020217147 384602680 /nfs/dbraw/zinc/60/26/80/384602680.db2.gz WJFMKSWYCLPPFV-UHFFFAOYSA-N -1 0 200.184 2.372 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000100011871 384608804 /nfs/dbraw/zinc/60/88/04/384608804.db2.gz KXMRDHPZQHAXML-KYZUINATSA-N -1 0 243.303 2.155 50 0 BEAARM Cn1c2ccc(C(=O)[O-])cc2nc1C(F)F ZINC000082675446 384700165 /nfs/dbraw/zinc/70/01/65/384700165.db2.gz HRZJHNXUTLDVKP-UHFFFAOYSA-N -1 0 226.182 2.209 50 0 BEAARM Cc1ccc(Oc2ncccc2C(=O)[O-])cn1 ZINC000021948215 384706664 /nfs/dbraw/zinc/70/66/64/384706664.db2.gz QUIUMNCOKVAQER-UHFFFAOYSA-N -1 0 230.223 2.276 50 0 BEAARM O=C([O-])[C@H]1C[C@]12CCCc1ccccc12 ZINC000052126547 384716209 /nfs/dbraw/zinc/71/62/09/384716209.db2.gz WVRLFWFGLWUZBD-YPMHNXCESA-N -1 0 202.253 2.365 50 0 BEAARM O=C([O-])c1cnc2c(ccc(F)c2F)c1 ZINC000143113096 384717636 /nfs/dbraw/zinc/71/76/36/384717636.db2.gz AMKQPUGRVXSJNI-UHFFFAOYSA-N -1 0 209.151 2.211 50 0 BEAARM CC(=O)CCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000022147428 384740853 /nfs/dbraw/zinc/74/08/53/384740853.db2.gz GYDOYXODECNPER-SNVBAGLBSA-N -1 0 236.267 2.060 50 0 BEAARM CC(=O)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000022147432 384741086 /nfs/dbraw/zinc/74/10/86/384741086.db2.gz GYDOYXODECNPER-JTQLQIEISA-N -1 0 236.267 2.060 50 0 BEAARM CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000084018945 384830197 /nfs/dbraw/zinc/83/01/97/384830197.db2.gz MIZLPLOCVAAQMG-SECBINFHSA-N -1 0 228.631 2.029 50 0 BEAARM O=C([O-])C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000084383323 384863478 /nfs/dbraw/zinc/86/34/78/384863478.db2.gz OWXNQQUWPGXPMS-LLVKDONJSA-N -1 0 206.241 2.361 50 0 BEAARM Cc1cc(Br)ccc1CC(=O)[O-] ZINC000057953343 384974118 /nfs/dbraw/zinc/97/41/18/384974118.db2.gz PGVPTRWRGZKMDA-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM COC(C)(C)c1nc(C)c(C(=O)[O-])s1 ZINC000086071181 384985451 /nfs/dbraw/zinc/98/54/51/384985451.db2.gz KWOQUQGRWWYXJV-UHFFFAOYSA-N -1 0 215.274 2.031 50 0 BEAARM O=C([O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000061811268 385137904 /nfs/dbraw/zinc/13/79/04/385137904.db2.gz VWESYESHZREAFH-UHFFFAOYSA-N -1 0 229.239 2.047 50 0 BEAARM CC(C)Cc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000062136925 385160442 /nfs/dbraw/zinc/16/04/42/385160442.db2.gz VXDNPRNPYKOCOX-UHFFFAOYSA-N -1 0 218.256 2.460 50 0 BEAARM O=C([O-])[C@H](O)c1cc(Cl)c(F)c(Cl)c1 ZINC000258329173 385776184 /nfs/dbraw/zinc/77/61/84/385776184.db2.gz VMXNXXKOFJHNDU-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM CC/C=C(\C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000221913473 385788556 /nfs/dbraw/zinc/78/85/56/385788556.db2.gz OLKKFABDSLROCQ-CRALRDPISA-N -1 0 227.304 2.102 50 0 BEAARM O=C([O-])[C@H](O)c1c(F)cc(Cl)cc1Cl ZINC000263622768 386157323 /nfs/dbraw/zinc/15/73/23/386157323.db2.gz ATUBYOGXAGUTAS-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])CC(=O)Cc1ccccc1C(F)(F)F ZINC000263624063 386157466 /nfs/dbraw/zinc/15/74/66/386157466.db2.gz NCORBYXOMPRSAD-UHFFFAOYSA-N -1 0 246.184 2.292 50 0 BEAARM O=C([O-])[C@@H](O)c1c(Cl)cc(F)cc1Cl ZINC000263625405 386159381 /nfs/dbraw/zinc/15/93/81/386159381.db2.gz ZPLPOIYHPCKOCZ-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@H](O)c1cc(F)c(Cl)cc1Cl ZINC000263624748 386159594 /nfs/dbraw/zinc/15/95/94/386159594.db2.gz TWJARPIHUQVTRL-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM C[C@@H](C(=O)[O-])[C@@H]1OCCc2sccc21 ZINC000238856884 386537276 /nfs/dbraw/zinc/53/72/76/386537276.db2.gz XNJKFVMZPSGMFR-MUWHJKNJSA-N -1 0 212.270 2.083 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1ccnn1-c1ccccc1 ZINC000242687525 386549029 /nfs/dbraw/zinc/54/90/29/386549029.db2.gz ULKIXMQIWUVVKB-MNOVXSKESA-N -1 0 228.251 2.060 50 0 BEAARM O=C([O-])Cc1coc2c1ccc(F)c2F ZINC000087968463 387155230 /nfs/dbraw/zinc/15/52/30/387155230.db2.gz XZUDFNHLYCJFQJ-UHFFFAOYSA-N -1 0 212.151 2.338 50 0 BEAARM CC/C=C(/C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000134084543 387477403 /nfs/dbraw/zinc/47/74/03/387477403.db2.gz NOOUDLDKISJZHL-UMAGTOLTSA-N -1 0 247.294 2.285 50 0 BEAARM O=C([O-])/C=C\c1ccc(Cn2ccnc2)cc1 ZINC000013524645 388158559 /nfs/dbraw/zinc/15/85/59/388158559.db2.gz SHZKQBHERIJWAO-WAYWQWQTSA-N -1 0 228.251 2.029 50 0 BEAARM Cc1ccc(C(C)C)cc1S(=O)(=O)[O-] ZINC000039214272 388408357 /nfs/dbraw/zinc/40/83/57/388408357.db2.gz OORBHYFTTSLSRU-UHFFFAOYSA-N -1 0 214.286 2.365 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000134903531 256859983 /nfs/dbraw/zinc/85/99/83/256859983.db2.gz RELMMCLJMQTQFA-PELKAZGASA-N -1 0 243.303 2.155 50 0 BEAARM CO[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000230259229 132238620 /nfs/dbraw/zinc/23/86/20/132238620.db2.gz PEHGJHIPDXLVDX-GFCCVEGCSA-N -1 0 235.283 2.000 50 0 BEAARM O=C([O-])c1cccc(N2CCCCC2)c1 ZINC000004272160 132316380 /nfs/dbraw/zinc/31/63/80/132316380.db2.gz FLQRORYAJSTYLT-UHFFFAOYSA-N -1 0 205.257 2.375 50 0 BEAARM Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)[O-] ZINC000006726944 132318245 /nfs/dbraw/zinc/31/82/45/132318245.db2.gz SAZXDFKNEUWCSG-UHFFFAOYSA-N -1 0 247.294 2.139 50 0 BEAARM C[C@H]1CCCN(c2ccc(N)cc2C(=O)[O-])C1 ZINC000019094025 132324365 /nfs/dbraw/zinc/32/43/65/132324365.db2.gz HLHXVRSOPLAEAC-VIFPVBQESA-N -1 0 234.299 2.203 50 0 BEAARM C[C@H]1CCc2ccccc2N1CCC(=O)[O-] ZINC000020546808 132331830 /nfs/dbraw/zinc/33/18/30/132331830.db2.gz RGMIIVUXSDHUKF-JTQLQIEISA-N -1 0 219.284 2.302 50 0 BEAARM C[C@H](CC(=O)[O-])N1CCCc2ccccc21 ZINC000035752081 132339023 /nfs/dbraw/zinc/33/90/23/132339023.db2.gz IJMJLAWKVGWSMG-SNVBAGLBSA-N -1 0 219.284 2.302 50 0 BEAARM O=C([O-])C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000082549944 132414761 /nfs/dbraw/zinc/41/47/61/132414761.db2.gz BFKHEURNHFLLRN-UHFFFAOYSA-N -1 0 241.237 2.266 50 0 BEAARM Cc1ccnc(N(C)C[C@@H](C)C(=O)[O-])c1Cl ZINC000263547473 135359538 /nfs/dbraw/zinc/35/95/38/135359538.db2.gz IBPVOPXMFBWZDW-MRVPVSSYSA-N -1 0 242.706 2.200 50 0 BEAARM CC(C)NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000238941 167083935 /nfs/dbraw/zinc/08/39/35/167083935.db2.gz LBJUSTCMHUWDQD-RNCFNFMXSA-N -1 0 241.331 2.038 50 0 biogenic BEAARM CC(C)Oc1cccc(CCC(=O)[O-])c1 ZINC000040641171 167304795 /nfs/dbraw/zinc/30/47/95/167304795.db2.gz QXOWDBUIALLDFJ-UHFFFAOYSA-N -1 0 208.257 2.491 50 0 biogenic BEAARM CC(C)(C)OC(=O)Nc1ccoc1C(=O)[O-] ZINC000066339417 166670458 /nfs/dbraw/zinc/67/04/58/166670458.db2.gz NBZNSNPSQJFTQF-UHFFFAOYSA-N -1 0 227.216 2.325 50 0 BEAARM CC(C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000095972263 167274543 /nfs/dbraw/zinc/27/45/43/167274543.db2.gz UDNQPOCCEZQNPQ-UHFFFAOYSA-N -1 0 221.300 2.420 50 0 BEAARM CC(C)Oc1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008997658 167296547 /nfs/dbraw/zinc/29/65/47/167296547.db2.gz KGUOLVTVILKSQR-UHFFFAOYSA-N -1 0 246.270 2.108 50 0 BEAARM CC(C)c1ccc(N2CC[C@@H](C(=O)[O-])C2=O)cc1 ZINC000011890895 167603045 /nfs/dbraw/zinc/60/30/45/167603045.db2.gz OMXHAZIHQOVUIM-GFCCVEGCSA-N -1 0 247.294 2.248 50 0 BEAARM CC1(C)CCNc2ccc(C(=O)[O-])cc21 ZINC000004202445 167924850 /nfs/dbraw/zinc/92/48/50/167924850.db2.gz TZCTXNFOGFCRFV-UHFFFAOYSA-N -1 0 205.257 2.478 50 0 BEAARM CCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000071728036 168214334 /nfs/dbraw/zinc/21/43/34/168214334.db2.gz YJZHWAHHDUWLBR-NSHDSACASA-N -1 0 249.310 2.146 50 0 BEAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000019420725 168243501 /nfs/dbraw/zinc/24/35/01/168243501.db2.gz YYQAHINNUNSDEJ-UHFFFAOYSA-N -1 0 227.647 2.387 50 0 BEAARM CCOC(=O)c1c(C)[n-]c2ccccc2c1=O ZINC000008763782 170287180 /nfs/dbraw/zinc/28/71/80/170287180.db2.gz PHRRSYMXOIKRAW-UHFFFAOYSA-N -1 0 231.251 2.013 50 0 BEAARM CCOC(=O)c1cc(=O)c(-c2ccccc2)n[n-]1 ZINC000009543767 170292765 /nfs/dbraw/zinc/29/27/65/170292765.db2.gz GSAMTLKOPFKPGN-UHFFFAOYSA-N -1 0 244.250 2.026 50 0 BEAARM CCO[N-]C(=O)COc1cccc(C(C)C)c1 ZINC000040105448 170462040 /nfs/dbraw/zinc/46/20/40/170462040.db2.gz KNBXIJLOOKIFBT-UHFFFAOYSA-N -1 0 237.299 2.257 50 0 BEAARM CCOc1c2cc(C(=O)[O-])[nH]c2ccc1OC ZINC000004234971 170515430 /nfs/dbraw/zinc/51/54/30/170515430.db2.gz FWASDTPLNNWWDM-UHFFFAOYSA-N -1 0 235.239 2.273 50 0 BEAARM CCOc1ccc(/C=C/C(=O)[O-])c(F)c1F ZINC000038529912 170535155 /nfs/dbraw/zinc/53/51/55/170535155.db2.gz VBDRYDSDLSADTE-GQCTYLIASA-N -1 0 228.194 2.461 50 0 BEAARM CCOc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000000133169 170536236 /nfs/dbraw/zinc/53/62/36/170536236.db2.gz HXMFVOXVXQBEEJ-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM CCOc1cccc([C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000032010612 170584571 /nfs/dbraw/zinc/58/45/71/170584571.db2.gz IZKXGKMFQATOME-WDEREUQCSA-N -1 0 206.241 2.273 50 0 BEAARM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000097020127 170789681 /nfs/dbraw/zinc/78/96/81/170789681.db2.gz CULVGIKEFCRFHK-SFYZADRCSA-N -1 0 239.271 2.142 50 0 BEAARM CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004298341 170950897 /nfs/dbraw/zinc/95/08/97/170950897.db2.gz BXVJYKWWKYAQJQ-MRVPVSSYSA-N -1 0 226.301 2.049 50 0 BEAARM CC[C@@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000090225694 171197443 /nfs/dbraw/zinc/19/74/43/171197443.db2.gz KMOZPCFILJMJNU-LBPRGKRZSA-N -1 0 243.303 2.251 50 0 BEAARM CC[C@H](C)C(=O)Nc1ccccc1C(=O)[O-] ZINC000001074956 171255860 /nfs/dbraw/zinc/25/58/60/171255860.db2.gz XZGSYONIZSNCTM-QMMMGPOBSA-N -1 0 221.256 2.369 50 0 BEAARM CC[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000392840 171351416 /nfs/dbraw/zinc/35/14/16/171351416.db2.gz USZVTXIEQADBGH-QMMMGPOBSA-N -1 0 222.240 2.340 50 0 BEAARM CC[C@H](C)[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002539575 171358059 /nfs/dbraw/zinc/35/80/59/171358059.db2.gz HTBIAUMDQYXOFG-IUCAKERBSA-N -1 0 245.319 2.353 50 0 BEAARM CCn1nccc1CNc1ccc(C(=O)[O-])cc1 ZINC000020353806 172274694 /nfs/dbraw/zinc/27/46/94/172274694.db2.gz DLVHTJPEYSKURM-UHFFFAOYSA-N -1 0 245.282 2.213 50 0 BEAARM COc1cc(C)c(CCCC(=O)[O-])cc1OC ZINC000020444088 174957535 /nfs/dbraw/zinc/95/75/35/174957535.db2.gz OKTKNTNHBLBCSH-UHFFFAOYSA-N -1 0 238.283 2.420 50 0 BEAARM COc1cc2[nH]c(C(=O)[O-])cc2c(OC)c1C ZINC000004234973 175018711 /nfs/dbraw/zinc/01/87/11/175018711.db2.gz VGHMWPLTDLVNIM-UHFFFAOYSA-N -1 0 235.239 2.192 50 0 BEAARM COc1ccc(-c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000038478324 175029709 /nfs/dbraw/zinc/02/97/09/175029709.db2.gz LVSAHZSJJZYROT-UHFFFAOYSA-N -1 0 217.224 2.389 50 0 BEAARM COc1ccc(-c2ccc(C(=O)[O-])cn2)cc1 ZINC000035630089 175032752 /nfs/dbraw/zinc/03/27/52/175032752.db2.gz HTFUPRQBIIZYTE-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(-c2ncc(CC(=O)[O-])s2)cc1 ZINC000012396960 175040818 /nfs/dbraw/zinc/04/08/18/175040818.db2.gz VNQJSQJJUBFDEU-UHFFFAOYSA-N -1 0 249.291 2.446 50 0 BEAARM COc1ccc(/C=C/C(=O)[O-])c(Cl)c1OC ZINC000000153272 175047542 /nfs/dbraw/zinc/04/75/42/175047542.db2.gz JIPTVEJKXDVECY-GQCTYLIASA-N -1 0 242.658 2.455 50 0 BEAARM COc1ccc(C([O-])=CC(=O)C(F)F)cc1 ZINC000100042242 175052997 /nfs/dbraw/zinc/05/29/97/175052997.db2.gz IHLFDMHYDXVXHM-UHFFFAOYSA-N -1 0 228.194 2.102 50 0 BEAARM COc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000002574423 175065372 /nfs/dbraw/zinc/06/53/72/175065372.db2.gz WKGLTBFKXDKKGA-MNOVXSKESA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccc(COCCCC(=O)[O-])cc1 ZINC000019965603 175113669 /nfs/dbraw/zinc/11/36/69/175113669.db2.gz MKRKDYALTAAJKA-UHFFFAOYSA-N -1 0 224.256 2.077 50 0 BEAARM COc1ccc(C[C@H](C)C(=O)[O-])cc1F ZINC000040377469 175116615 /nfs/dbraw/zinc/11/66/15/175116615.db2.gz AAABJKSOVYDFKA-ZETCQYMHSA-N -1 0 212.220 2.098 50 0 BEAARM COc1ccc(F)c(CC(=O)[O-])c1Cl ZINC000038529653 175124720 /nfs/dbraw/zinc/12/47/20/175124720.db2.gz UXEJOUUYHCRBTM-UHFFFAOYSA-N -1 0 218.611 2.115 50 0 BEAARM COc1ccc(SCCC(=O)[O-])cc1OC ZINC000019686269 175175509 /nfs/dbraw/zinc/17/55/09/175175509.db2.gz HVWIZKGQLSYPCB-UHFFFAOYSA-N -1 0 242.296 2.271 50 0 BEAARM COc1ccc2[nH]cc(/C=C/C(=O)[O-])c2c1 ZINC000020269244 175202020 /nfs/dbraw/zinc/20/20/20/175202020.db2.gz JSOBWUYSSGIUDS-GORDUTHDSA-N -1 0 217.224 2.274 50 0 BEAARM COc1ccc2c(c1)[C@@H](C(=O)[O-])CCC2 ZINC000031889186 175213443 /nfs/dbraw/zinc/21/34/43/175213443.db2.gz WJNRAOKRAWFGFS-JTQLQIEISA-N -1 0 206.241 2.200 50 0 BEAARM COc1ccc2cccc(CC(=O)[O-])c2c1 ZINC000034091381 175225421 /nfs/dbraw/zinc/22/54/21/175225421.db2.gz GJPYHKXILUFWKV-UHFFFAOYSA-N -1 0 216.236 2.476 50 0 BEAARM COc1ccc2nc(C)c(C(=O)[O-])cc2c1 ZINC000003886860 175227807 /nfs/dbraw/zinc/22/78/07/175227807.db2.gz HQTMGNSGKYFHAM-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM COc1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000003268249 175230751 /nfs/dbraw/zinc/23/07/51/175230751.db2.gz BKOHXOOAJNTFCM-UHFFFAOYSA-N -1 0 206.197 2.448 50 0 BEAARM COc1cccc(/C=C/C(=O)[O-])c1Cl ZINC000004542619 175240327 /nfs/dbraw/zinc/24/03/27/175240327.db2.gz UXFIXEIODLQLDQ-AATRIKPKSA-N -1 0 212.632 2.446 50 0 BEAARM COc1cccc(C([O-])=CC(=O)C(F)(F)F)c1 ZINC000100081893 175242891 /nfs/dbraw/zinc/24/28/91/175242891.db2.gz DIZYLXQPKFYSGQ-UHFFFAOYSA-N -1 0 246.184 2.399 50 0 BEAARM COc1cccc(C(=O)[O-])c1OC(C)C ZINC000034927120 175246048 /nfs/dbraw/zinc/24/60/48/175246048.db2.gz ICFABYWULDECIF-UHFFFAOYSA-N -1 0 210.229 2.181 50 0 BEAARM COc1cccc(Cc2nc(C(=O)[O-])cs2)c1 ZINC000020357787 175272498 /nfs/dbraw/zinc/27/24/98/175272498.db2.gz SOVUUUPGIUKZMT-UHFFFAOYSA-N -1 0 249.291 2.441 50 0 BEAARM COc1ccccc1C/C(C)=C\C(=O)[O-] ZINC000095911114 175320021 /nfs/dbraw/zinc/32/00/21/175320021.db2.gz DXFINYUXSFQEHS-HJWRWDBZSA-N -1 0 206.241 2.269 50 0 BEAARM C[C@@H](Oc1ccccc1Br)C(=O)[O-] ZINC000002581482 176005734 /nfs/dbraw/zinc/00/57/34/176005734.db2.gz FRWFVFRKYPCAJM-ZCFIWIBFSA-N -1 0 245.072 2.301 50 0 BEAARM C[C@@H](SCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000003394002 176007310 /nfs/dbraw/zinc/00/73/10/176007310.db2.gz SKZXSCCVUYPMDS-SSDOTTSWSA-N -1 0 236.296 2.442 50 0 BEAARM C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)[O-] ZINC000003440518 176115424 /nfs/dbraw/zinc/11/54/24/176115424.db2.gz NCIPUDYBLPRKCW-HTQZYQBOSA-N -1 0 247.385 2.352 50 0 BEAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000095642969 176196327 /nfs/dbraw/zinc/19/63/27/176196327.db2.gz TZCMQIKRCZLVQN-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@@H](C(=O)[O-])N1C[C@@H](C)c2ccccc21 ZINC000237448148 176314138 /nfs/dbraw/zinc/31/41/38/176314138.db2.gz AENTXCWRAKZIFA-BDAKNGLRSA-N -1 0 205.257 2.083 50 0 BEAARM C[C@@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095970762 176433274 /nfs/dbraw/zinc/43/32/74/176433274.db2.gz LPTMWLGCTBLPHL-BXKDBHETSA-N -1 0 247.294 2.298 50 0 BEAARM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000000195912 176817625 /nfs/dbraw/zinc/81/76/25/176817625.db2.gz KGSUAYOKUTTZHA-VIFPVBQESA-N -1 0 249.310 2.187 50 0 BEAARM C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000000246968 176933314 /nfs/dbraw/zinc/93/33/14/176933314.db2.gz VCZPLKWFZCIVCR-YFKPBYRVSA-N -1 0 217.627 2.364 50 0 BEAARM C[C@H](c1ccc(S(=O)(=O)[O-])cc1)C(F)F ZINC000066325787 177035505 /nfs/dbraw/zinc/03/55/05/177035505.db2.gz UYOIHDXOQCJAHD-ZCFIWIBFSA-N -1 0 236.239 2.302 50 0 BEAARM C[C@H]1C[C@H](NC(=O)CCC(=O)[O-])CC(C)(C)C1 ZINC000001460399 177367575 /nfs/dbraw/zinc/36/75/75/177367575.db2.gz GJSNJHNTLVPVTH-UWVGGRQHSA-N -1 0 241.331 2.182 50 0 BEAARM Cc1cc(F)cc(-c2cn(C)nc2C(=O)[O-])c1 ZINC000534581896 323154060 /nfs/dbraw/zinc/15/40/60/323154060.db2.gz KSECAKGJIYBLND-UHFFFAOYSA-N -1 0 234.230 2.233 50 0 BEAARM CCOc1ncccc1-c1cccc(C(=O)[O-])n1 ZINC000534651711 323157435 /nfs/dbraw/zinc/15/74/35/323157435.db2.gz PWXQGRGAHVKSMM-UHFFFAOYSA-N -1 0 244.250 2.241 50 0 BEAARM COc1cc(-c2c[nH]nc2C)ccc1C(=O)[O-] ZINC000534653809 323157685 /nfs/dbraw/zinc/15/76/85/323157685.db2.gz WRAAYZJBCCHPJE-UHFFFAOYSA-N -1 0 232.239 2.092 50 0 BEAARM CCn1nc(C)nc1-c1ccc(C(=O)[O-])s1 ZINC000534666257 323158457 /nfs/dbraw/zinc/15/84/57/323158457.db2.gz GLSUEAWRBARRJP-UHFFFAOYSA-N -1 0 237.284 2.033 50 0 BEAARM Cn1cc(-c2cccc(F)c2F)c(C(=O)[O-])n1 ZINC000534670843 323158703 /nfs/dbraw/zinc/15/87/03/323158703.db2.gz ORHCQDKHLPUCJI-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002530065 487486565 /nfs/dbraw/zinc/48/65/65/487486565.db2.gz MWOMAVYZRMNVDD-IUCAKERBSA-N -1 0 245.319 2.401 50 0 BEAARM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000069553829 490171113 /nfs/dbraw/zinc/17/11/13/490171113.db2.gz MWOMAVYZRMNVDD-DTWKUNHWSA-N -1 0 245.319 2.401 50 0 BEAARM CCOc1ccc(C(=O)[O-])cc1OCC ZINC000000156673 517725157 /nfs/dbraw/zinc/72/51/57/517725157.db2.gz VVKCVAPLTRZJHH-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CC(=O)c1cccc2ncc(C(=O)[O-])cc21 ZINC000498047878 527391353 /nfs/dbraw/zinc/39/13/53/527391353.db2.gz YXMHAFHLGLRNSY-UHFFFAOYSA-N -1 0 215.208 2.136 50 0 BEAARM Cc1c([S@@](=O)[O-])c2ccccc2n1C ZINC000082533249 566410280 /nfs/dbraw/zinc/41/02/80/566410280.db2.gz HMFDBENNFJSQDX-UHFFFAOYSA-N -1 0 209.270 2.067 50 0 BEAARM CC(C)CC(=O)c1nc(C(=O)[O-])cs1 ZINC000757124719 582499615 /nfs/dbraw/zinc/49/96/15/582499615.db2.gz OHMXGOXEYFPQCQ-UHFFFAOYSA-N -1 0 213.258 2.070 50 0 BEAARM O=C([O-])C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000397446819 583100934 /nfs/dbraw/zinc/10/09/34/583100934.db2.gz IMCSLTGHBXFSNL-UHFFFAOYSA-N -1 0 236.120 2.112 50 0 BEAARM Cc1cc(F)ccc1C(F)(F)C(=O)[O-] ZINC000052232645 632107630 /nfs/dbraw/zinc/10/76/30/632107630.db2.gz DMPVZKDYYRYKAG-UHFFFAOYSA-N -1 0 204.147 2.311 50 0 BEAARM C[C@H](C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000036160963 640382513 /nfs/dbraw/zinc/38/25/13/640382513.db2.gz FTXKYBBUQHWDKU-QMMMGPOBSA-N -1 0 222.240 2.036 50 0 BEAARM C[C@@H](Nc1cccc(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000159231565 641673534 /nfs/dbraw/zinc/67/35/34/641673534.db2.gz ZLVBTGKTRADQNE-MWLCHTKSSA-N -1 0 235.283 2.222 50 0 BEAARM O=C([O-])c1nc(-c2cccc(F)c2)ns1 ZINC000074013488 644158321 /nfs/dbraw/zinc/15/83/21/644158321.db2.gz ALLZDCFFRCYAAA-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM C/C=C(/C)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000097035786 644864578 /nfs/dbraw/zinc/86/45/78/644864578.db2.gz HYBNEVPLJVUBAF-CHFYJCTLSA-N -1 0 239.315 2.102 50 0 BEAARM CC(C)(C)OC(=O)c1ccc(CC(=O)[O-])cc1 ZINC000115002682 1167758923 /nfs/dbraw/zinc/75/89/23/1167758923.db2.gz ANYWJCSOPVLRHC-UHFFFAOYSA-N -1 0 236.267 2.269 50 0 BEAARM O=C([O-])c1c(Cl)nsc1Br ZINC001505839877 988712725 /nfs/dbraw/zinc/71/27/25/988712725.db2.gz NZRSARAZGYANPD-UHFFFAOYSA-N -1 0 242.481 2.257 50 0 BEAARM C[C@@H](C(=O)[O-])n1ccc2cc(F)ccc21 ZINC000075234063 398218313 /nfs/dbraw/zinc/21/83/13/398218313.db2.gz UXQIGAUEOUIENC-ZETCQYMHSA-N -1 0 207.204 2.426 50 0 BEAARM Cc1cc(O)c(C(=O)[O-])cc1Br ZINC000001685047 178195672 /nfs/dbraw/zinc/19/56/72/178195672.db2.gz IMEIVUHCRPYYIF-UHFFFAOYSA-N -1 0 231.045 2.161 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n(C)n2)c(C)c1 ZINC000009280223 178319507 /nfs/dbraw/zinc/31/95/07/178319507.db2.gz JYAQYAAJWHZGLD-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM Cc1ccc(-c2ncccn2)c(C(=O)[O-])c1 ZINC000045328720 178338586 /nfs/dbraw/zinc/33/85/86/178338586.db2.gz WKBKHXGASBZRMI-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM CCc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000066056267 398260603 /nfs/dbraw/zinc/26/06/03/398260603.db2.gz FAUVSEVSBQEMNK-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM CCOc1ccc(CC(=O)[O-])cc1OCC ZINC000000103350 342674797 /nfs/dbraw/zinc/67/47/97/342674797.db2.gz FIKUHWAANCXBGJ-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 biogenic BEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1 ZINC000000114165 342674945 /nfs/dbraw/zinc/67/49/45/342674945.db2.gz LESQASCTNMKKPZ-BDAKNGLRSA-N -1 0 243.715 2.128 50 0 biogenic BEAARM Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000000156654 342678091 /nfs/dbraw/zinc/67/80/91/342678091.db2.gz UHXYYTSWBYTDPD-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM Cc1c(C(=O)[O-])cccc1-n1cccc1 ZINC000000253717 342681307 /nfs/dbraw/zinc/68/13/07/342681307.db2.gz TVJDAMBKDKJGKD-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM O=C([O-])[C@@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000000266738 342681616 /nfs/dbraw/zinc/68/16/16/342681616.db2.gz CKUDLTYVRYZFGB-SNVBAGLBSA-N -1 0 239.315 2.032 50 0 BEAARM Cc1[nH]c2ccc(CC(=O)[O-])cc2c1C ZINC000000346104 342684289 /nfs/dbraw/zinc/68/42/89/342684289.db2.gz YQJMPNCDSJYOLT-UHFFFAOYSA-N -1 0 203.241 2.412 50 0 BEAARM CCOc1cc(C=O)c(Cl)cc1[O-] ZINC000000465773 342688083 /nfs/dbraw/zinc/68/80/83/342688083.db2.gz NAPMZRRXHMAKEP-UHFFFAOYSA-N -1 0 200.621 2.257 50 0 BEAARM Nc1ccccc1C(=O)c1ccccc1C(=O)[O-] ZINC000000032314 342670348 /nfs/dbraw/zinc/67/03/48/342670348.db2.gz KORKIRUGUNPQML-UHFFFAOYSA-N -1 0 241.246 2.198 50 0 BEAARM Nc1cc(Cl)cc(Cl)c1C(=O)[O-] ZINC000001564783 342703187 /nfs/dbraw/zinc/70/31/87/342703187.db2.gz VNOYJBSEORILIE-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM COC(=O)C=C([O-])c1ccc(OC(C)C)cc1 ZINC000001605986 342705495 /nfs/dbraw/zinc/70/54/95/342705495.db2.gz XVDYVEPBGPNIEK-UHFFFAOYSA-N -1 0 236.267 2.220 50 0 BEAARM O=c1[nH]c(=S)[n-]c2sc3c(c21)CCC3 ZINC000001811786 342712726 /nfs/dbraw/zinc/71/27/26/342712726.db2.gz PGRPTHCBVLJQON-UHFFFAOYSA-N -1 0 224.310 2.136 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000002169515 342716543 /nfs/dbraw/zinc/71/65/43/342716543.db2.gz LRFZIPCTFBPFLX-ZETCQYMHSA-N -1 0 231.292 2.010 50 0 BEAARM O=C([O-])c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000004207362 342744212 /nfs/dbraw/zinc/74/42/12/342744212.db2.gz TUWHJTBVTPKIKT-UHFFFAOYSA-N -1 0 239.658 2.165 50 0 BEAARM Cc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000004219186 342744681 /nfs/dbraw/zinc/74/46/81/342744681.db2.gz LMRNIKGMVCSIOU-UHFFFAOYSA-N -1 0 246.262 2.427 50 0 BEAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(Cl)c2)N1 ZINC000004294477 342746259 /nfs/dbraw/zinc/74/62/59/342746259.db2.gz ZIAXCRNTOFXJPM-DTWKUNHWSA-N -1 0 243.715 2.128 50 0 BEAARM Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2C)n1 ZINC000004511168 342748315 /nfs/dbraw/zinc/74/83/15/342748315.db2.gz JKJCWJGBTJPKEQ-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM CC(C)(C)Oc1ccc(CC(=O)[O-])cc1 ZINC000002524662 342722450 /nfs/dbraw/zinc/72/24/50/342722450.db2.gz XKDCCGWJZGTHPO-UHFFFAOYSA-N -1 0 208.257 2.491 50 0 BEAARM O=C([O-])c1cc(F)c(F)c(Cl)c1F ZINC000002526219 342722514 /nfs/dbraw/zinc/72/25/14/342722514.db2.gz KBESHLYCSZINAJ-UHFFFAOYSA-N -1 0 210.538 2.456 50 0 BEAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC000002574407 342725064 /nfs/dbraw/zinc/72/50/64/342725064.db2.gz BXPBLRRKIQAMIP-MNOVXSKESA-N -1 0 218.252 2.370 50 0 BEAARM CSc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002572174 342725074 /nfs/dbraw/zinc/72/50/74/342725074.db2.gz BFZJEFYDHMQRGJ-UHFFFAOYSA-N -1 0 224.281 2.456 50 0 BEAARM O=C([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000004002791 342740470 /nfs/dbraw/zinc/74/04/70/342740470.db2.gz SNDXUZCJYYFCQP-UHFFFAOYSA-N -1 0 239.234 2.119 50 0 BEAARM CCOc1ccc(/C=C\C(=O)[O-])cc1OC ZINC000004787147 342752156 /nfs/dbraw/zinc/75/21/56/342752156.db2.gz LJMXXNVTJTYKRH-ALCCZGGFSA-N -1 0 222.240 2.192 50 0 BEAARM CCC[P@@](=O)(CC(=O)[O-])c1ccccc1 ZINC000004949813 342755011 /nfs/dbraw/zinc/75/50/11/342755011.db2.gz QASLMIHKSLMWHT-OAHLLOKOSA-N -1 0 226.212 2.170 50 0 BEAARM O=C(CC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000004700998 342750623 /nfs/dbraw/zinc/75/06/23/342750623.db2.gz OVFJHJAIJUDSKC-UHFFFAOYSA-N -1 0 233.311 2.451 50 0 BEAARM CCOc1ccc(CCC(=O)[O-])cc1OC ZINC000008019344 342795351 /nfs/dbraw/zinc/79/53/51/342795351.db2.gz BTKVFGHQNRGQIB-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 BEAARM CCc1ccc(-c2noc(CCC(=O)[O-])n2)cc1 ZINC000008754338 342804321 /nfs/dbraw/zinc/80/43/21/342804321.db2.gz QGHDNBWYVLXRNV-UHFFFAOYSA-N -1 0 246.266 2.316 50 0 BEAARM Nc1nc(C(=O)[O-])c(-c2ccc(F)cc2)s1 ZINC000008762642 342804667 /nfs/dbraw/zinc/80/46/67/342804667.db2.gz FAQZRBHUKFXVLO-UHFFFAOYSA-N -1 0 238.243 2.230 50 0 BEAARM O=C([O-])[C@H](Cc1ccncc1)c1ccccc1 ZINC000011570617 342841544 /nfs/dbraw/zinc/84/15/44/342841544.db2.gz XHXGOYRSBXUBAM-CYBMUJFWSA-N -1 0 227.263 2.493 50 0 BEAARM O=C([O-])[C@@H](Cc1cccnc1)c1ccccc1 ZINC000011570614 342841613 /nfs/dbraw/zinc/84/16/13/342841613.db2.gz WXBSTYAXJVFMOC-ZDUSSCGKSA-N -1 0 227.263 2.493 50 0 BEAARM O=C([O-])[C@@H]1O[C@@H]1c1cc(F)c(F)cc1Cl ZINC000097813770 342848721 /nfs/dbraw/zinc/84/87/21/342848721.db2.gz IFGYUMKPTJRVMG-HTQZYQBOSA-N -1 0 234.585 2.143 50 0 BEAARM C[C@H](CSC(=O)c1ccccc1)C(=O)[O-] ZINC000012336860 342849191 /nfs/dbraw/zinc/84/91/91/342849191.db2.gz BCAYPPFBOJCRPN-MRVPVSSYSA-N -1 0 224.281 2.281 50 0 in-vitro BEAARM CCOc1cc(CCC(=O)[O-])ccc1OC ZINC000011885676 342844003 /nfs/dbraw/zinc/84/40/03/342844003.db2.gz XOHHVCSPHJILQB-UHFFFAOYSA-N -1 0 224.256 2.111 50 0 BEAARM CC(C)(C)C(=O)Nc1ccnc(Cl)c1[O-] ZINC000014400953 342880208 /nfs/dbraw/zinc/88/02/08/342880208.db2.gz DDZBDCPTLSFIME-UHFFFAOYSA-N -1 0 228.679 2.425 50 0 BEAARM COc1c(Br)ccc(C(=O)[O-])c1F ZINC000016158640 342907243 /nfs/dbraw/zinc/90/72/43/342907243.db2.gz FJOKKTOXWITJGO-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM Cc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 ZINC000015776996 342900899 /nfs/dbraw/zinc/90/08/99/342900899.db2.gz AZFSEQTWUFMLBM-UHFFFAOYSA-N -1 0 215.256 2.130 50 0 BEAARM Nc1ccc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000016946117 342917631 /nfs/dbraw/zinc/91/76/31/342917631.db2.gz DAAPYOWCDXFHOC-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM Cc1cc(C)n(-c2nc3ccccc3c(=O)[nH]2)n1 ZINC000016994313 342918718 /nfs/dbraw/zinc/91/87/18/342918718.db2.gz BPUGGJBTONTZGE-UHFFFAOYSA-N -1 0 240.266 2.138 50 0 BEAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000019702692 342954068 /nfs/dbraw/zinc/95/40/68/342954068.db2.gz XAEDXOYCNKFXGA-UHFFFAOYSA-N -1 0 249.653 2.394 50 0 BEAARM O=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000019812890 342958854 /nfs/dbraw/zinc/95/88/54/342958854.db2.gz JIVIAPHYBVSLIP-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1ccnc(NCc2ccccc2)c1 ZINC000019844758 342959633 /nfs/dbraw/zinc/95/96/33/342959633.db2.gz RIWNMKBVGSKNLC-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM Clc1ccc(SCc2nnn[n-]2)cc1 ZINC000019880415 342960628 /nfs/dbraw/zinc/96/06/28/342960628.db2.gz CHUZWYSHNLSTHB-UHFFFAOYSA-N -1 0 226.692 2.145 50 0 BEAARM COc1c(Br)cc(C)cc1C(=O)[O-] ZINC000019910202 342962907 /nfs/dbraw/zinc/96/29/07/342962907.db2.gz BYSSKBXKQGIRMW-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM CCc1c(C(=O)[O-])cnn1Cc1ccccc1 ZINC000019999459 342966345 /nfs/dbraw/zinc/96/63/45/342966345.db2.gz OGSXKBZCTOTDTQ-UHFFFAOYSA-N -1 0 230.267 2.192 50 0 BEAARM O=C([O-])c1ccc(Cl)c(Cl)c1O ZINC000020593689 342991953 /nfs/dbraw/zinc/99/19/53/342991953.db2.gz YDOVRFJDZXIYMW-UHFFFAOYSA-N -1 0 207.012 2.397 50 0 BEAARM O=C([O-])c1ccc(-c2ccnc(Cl)n2)cc1 ZINC000020357713 342983162 /nfs/dbraw/zinc/98/31/62/342983162.db2.gz PIFZVVITMGNVMA-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM CC(C)CCn1ncc2cc(C(=O)[O-])cnc21 ZINC000021958620 343030795 /nfs/dbraw/zinc/03/07/95/343030795.db2.gz GPSAEQTUPDWQME-UHFFFAOYSA-N -1 0 233.271 2.176 50 0 BEAARM CCSc1c([O-])cnn(-c2ccccc2)c1=O ZINC000005686547 343051630 /nfs/dbraw/zinc/05/16/30/343051630.db2.gz UYIGDOOZRPUBSA-UHFFFAOYSA-N -1 0 248.307 2.050 50 0 BEAARM O=C([O-])Cc1ccccc1OCc1ccncc1 ZINC000157368957 343075927 /nfs/dbraw/zinc/07/59/27/343075927.db2.gz RXKXWXBYTXXHGG-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM CO[N-]C(=O)C(c1ccccc1)c1ccccc1 ZINC000025822875 343096120 /nfs/dbraw/zinc/09/61/20/343096120.db2.gz QSTLCUVQBPJRKW-UHFFFAOYSA-N -1 0 241.290 2.496 50 0 BEAARM O=C([O-])c1cnc2cc(Cl)c(F)cc2c1O ZINC000039289378 343124029 /nfs/dbraw/zinc/12/40/29/343124029.db2.gz FXPLBBILFCVNAA-UHFFFAOYSA-N -1 0 241.605 2.019 50 0 BEAARM O=C([O-])c1cccc(C(=O)N2CCCCC2)c1 ZINC000029564727 343143775 /nfs/dbraw/zinc/14/37/75/343143775.db2.gz DUWCZANZDLDVDP-UHFFFAOYSA-N -1 0 233.267 2.011 50 0 BEAARM CSc1nccn1-c1cccc(C(=O)[O-])c1 ZINC000032625200 343238612 /nfs/dbraw/zinc/23/86/12/343238612.db2.gz HJYFTERKJKJIDX-UHFFFAOYSA-N -1 0 234.280 2.292 50 0 BEAARM Cc1nc(N)c(C(=O)[O-])cc1-c1ccccc1 ZINC000034071657 343264066 /nfs/dbraw/zinc/26/40/66/343264066.db2.gz RPRKMSULYFJAQX-UHFFFAOYSA-N -1 0 228.251 2.337 50 0 BEAARM O=C([O-])[C@@H]1CC(c2ccccc2)=NCCS1 ZINC000000187352 343268775 /nfs/dbraw/zinc/26/87/75/343268775.db2.gz NRJWOOJGESLWEK-NSHDSACASA-N -1 0 235.308 2.066 50 0 biogenic BEAARM C[C@@H]1/C(=N\O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000022034323 343271979 /nfs/dbraw/zinc/27/19/79/343271979.db2.gz IADWNRWYUQCWGZ-JABIWGIPSA-N -1 0 233.267 2.269 50 0 BEAARM Cn1cc(C(=O)[O-])c(-c2ccc(F)cc2F)n1 ZINC000036894477 343326572 /nfs/dbraw/zinc/32/65/72/343326572.db2.gz VGUNYHHEBPOGFC-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM O=C([O-])c1nc(Cl)c2ccccc2c1O ZINC000035570360 343298082 /nfs/dbraw/zinc/29/80/82/343298082.db2.gz OBWMAIKNSCFJKC-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000037380864 343344429 /nfs/dbraw/zinc/34/44/29/343344429.db2.gz XRVPPNOXFATEAL-IUCAKERBSA-N -1 0 228.194 2.476 50 0 BEAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000037380870 343344432 /nfs/dbraw/zinc/34/44/32/343344432.db2.gz XRVPPNOXFATEAL-DTWKUNHWSA-N -1 0 228.194 2.476 50 0 BEAARM C[C@H](C(=O)[O-])c1cn(C)c2ccccc12 ZINC000039118023 343385274 /nfs/dbraw/zinc/38/52/74/343385274.db2.gz BWJKELIYCFNOEB-QMMMGPOBSA-N -1 0 203.241 2.366 50 0 BEAARM CC(C)(C(=O)[O-])c1c(F)cccc1F ZINC000040447869 343403562 /nfs/dbraw/zinc/40/35/62/343403562.db2.gz LKIUUVZMMOKAMF-UHFFFAOYSA-N -1 0 200.184 2.327 50 0 BEAARM O=C([O-])[C@H](O)c1cccc(-c2ccccc2)c1 ZINC000044126147 343492532 /nfs/dbraw/zinc/49/25/32/343492532.db2.gz QLRNUKKGLZSKOC-CYBMUJFWSA-N -1 0 228.247 2.472 50 0 BEAARM O=C([O-])c1cc2ncnc(Cl)c2s1 ZINC000044136820 343493198 /nfs/dbraw/zinc/49/31/98/343493198.db2.gz APAYWGOJUNTPCI-UHFFFAOYSA-N -1 0 214.633 2.043 50 0 BEAARM O=C([O-])c1c[nH]c2ccc(Br)nc12 ZINC000044185552 343494716 /nfs/dbraw/zinc/49/47/16/343494716.db2.gz PCALKTCNNPFHHR-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM Cc1c(F)cccc1C(=O)CCC(=O)[O-] ZINC000043214209 343465914 /nfs/dbraw/zinc/46/59/14/343465914.db2.gz DZNCKXZNESNGKK-UHFFFAOYSA-N -1 0 210.204 2.182 50 0 BEAARM C[C@@H](CC(=O)[O-])C(=O)c1cccc(F)c1 ZINC000043369347 343468675 /nfs/dbraw/zinc/46/86/75/343468675.db2.gz CNNODSOXSKAMFH-ZETCQYMHSA-N -1 0 210.204 2.119 50 0 BEAARM Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2)cn1 ZINC000047206519 343559096 /nfs/dbraw/zinc/55/90/96/343559096.db2.gz TZHTVBYTSYUBLB-UHFFFAOYSA-N -1 0 232.214 2.168 50 0 BEAARM O=C([O-])c1cccc(-c2cc(Cl)ncn2)c1 ZINC000047476126 343562447 /nfs/dbraw/zinc/56/24/47/343562447.db2.gz LZMSCKKGELDRSY-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1oc(-c2ccc(F)cc2)nc1CC(=O)[O-] ZINC000049632722 343604779 /nfs/dbraw/zinc/60/47/79/343604779.db2.gz BYFWOMRUSAYTCY-UHFFFAOYSA-N -1 0 235.214 2.416 50 0 BEAARM CC(C)C(=O)C1=C([O-])c2ccccc2C1 ZINC000112750700 537821626 /nfs/dbraw/zinc/82/16/26/537821626.db2.gz NWNOGKJBIPXBKN-LLVKDONJSA-N -1 0 202.253 2.267 50 0 BEAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])o1 ZINC000096675751 343875283 /nfs/dbraw/zinc/87/52/83/343875283.db2.gz PFYDWHRLZSQWLB-UHFFFAOYSA-N -1 0 227.216 2.325 50 0 BEAARM O=C(c1ccc(O)cc1)c1ccccc1[O-] ZINC000000340411 344418019 /nfs/dbraw/zinc/41/80/19/344418019.db2.gz HUYKZYIAFUBPAQ-UHFFFAOYSA-N -1 0 214.220 2.329 50 0 biogenic,in-vivo BEAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Br)nc1 ZINC000114030690 344682860 /nfs/dbraw/zinc/68/28/60/344682860.db2.gz JTVUIBKAAUOMFG-RQJHMYQMSA-N -1 0 242.072 2.032 50 0 BEAARM Cc1ccc(C(=O)C(=O)[O-])c2ccccc12 ZINC000070679886 537879413 /nfs/dbraw/zinc/87/94/13/537879413.db2.gz WKYMZEUCUBFQEH-UHFFFAOYSA-N -1 0 214.220 2.416 50 0 BEAARM O=C([O-])c1cccnc1SCc1cccnc1 ZINC000000215843 345739527 /nfs/dbraw/zinc/73/95/27/345739527.db2.gz DNXRXSASNXULIF-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM Cc1ccc2cccc(OCC(=O)[O-])c2n1 ZINC000001710744 178971164 /nfs/dbraw/zinc/97/11/64/178971164.db2.gz OAHTXPCONILGKI-UHFFFAOYSA-N -1 0 217.224 2.007 50 0 BEAARM COC(=O)c1c(SC)[n-]c2ccccc2c1=O ZINC000009939874 537977885 /nfs/dbraw/zinc/97/78/85/537977885.db2.gz GOCALHSDNMUTKY-UHFFFAOYSA-N -1 0 249.291 2.449 50 0 BEAARM Cc1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000000466202 179128863 /nfs/dbraw/zinc/12/88/63/179128863.db2.gz JLLSKJKFCAHRGF-SNVBAGLBSA-N -1 0 235.283 2.434 50 0 BEAARM Cc1cccc(NC(=O)N=C([O-])C(F)(F)F)c1 ZINC000000107991 179133873 /nfs/dbraw/zinc/13/38/73/179133873.db2.gz NAHDUSPKENAEAE-UHFFFAOYSA-N -1 0 246.188 2.205 50 0 BEAARM COc1cc(/C=C\C(=O)[O-])cc(Cl)c1OC ZINC000006497826 347341835 /nfs/dbraw/zinc/34/18/35/347341835.db2.gz FZFFFBWBOZMKEP-ARJAWSKDSA-N -1 0 242.658 2.455 50 0 BEAARM Cc1ccccc1-c1ncc(C(=O)[O-])cn1 ZINC000008730969 179239996 /nfs/dbraw/zinc/23/99/96/179239996.db2.gz ZCGVZUZQRJMWMP-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1ccccc1NC=C1SC([O-])=NC1=O ZINC000005571315 179295544 /nfs/dbraw/zinc/29/55/44/179295544.db2.gz SAMMFMNVNYFVFW-RMKNXTFCSA-N -1 0 234.280 2.231 50 0 BEAARM Cc1ccn(-c2ccc(C(=O)[O-])cc2C)n1 ZINC000052884571 179398762 /nfs/dbraw/zinc/39/87/62/179398762.db2.gz LBFUZLFZVGSQOV-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1cc(-c2oc(C)cc2C(=O)[O-])no1 ZINC000616582105 349292549 /nfs/dbraw/zinc/29/25/49/349292549.db2.gz DAKPDLGSYANEDN-UHFFFAOYSA-N -1 0 207.185 2.250 50 0 BEAARM COc1ccc(Br)c(F)c1C(=O)[O-] ZINC000075914862 191006318 /nfs/dbraw/zinc/00/63/18/191006318.db2.gz WVIPJDXUWXKCBU-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM Cc1nc2cc3c(cc2c(C)c1C(=O)[O-])OCO3 ZINC000003341759 180086903 /nfs/dbraw/zinc/08/69/03/180086903.db2.gz FWYDDXQDQHZOCP-UHFFFAOYSA-N -1 0 245.234 2.279 50 0 BEAARM Cc1nc2ccc(C(F)(F)F)cn2c1C(=O)[O-] ZINC000036244676 180091756 /nfs/dbraw/zinc/09/17/56/180091756.db2.gz PNGQVDCAPQPCCV-UHFFFAOYSA-N -1 0 244.172 2.360 50 0 BEAARM Cc1[nH]c2ccccc2c(=O)c1CCC(=O)[O-] ZINC000008717989 180101113 /nfs/dbraw/zinc/10/11/13/180101113.db2.gz BNIWIJDVILLJEO-UHFFFAOYSA-N -1 0 231.251 2.266 50 0 biogenic BEAARM Cc1nc2ccccc2c(C)c1CC(=O)[O-] ZINC000020082188 180101567 /nfs/dbraw/zinc/10/15/67/180101567.db2.gz JYHMSZNYJTYETN-UHFFFAOYSA-N -1 0 215.252 2.479 50 0 BEAARM Cc1nc2scc(C)n2c1/C=C/C(=O)[O-] ZINC000031973398 180117633 /nfs/dbraw/zinc/11/76/33/180117633.db2.gz MAIKIKDNKGXXDX-ONEGZZNKSA-N -1 0 222.269 2.110 50 0 BEAARM CCN(C)c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000725264685 538091738 /nfs/dbraw/zinc/09/17/38/538091738.db2.gz IMCKJDMLSUAGOS-UHFFFAOYSA-N -1 0 245.282 2.231 50 0 BEAARM Cc1nn(C)c2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000011567272 180363917 /nfs/dbraw/zinc/36/39/17/180363917.db2.gz KRBKBSUHIBFJRE-UHFFFAOYSA-N -1 0 233.271 2.098 50 0 BEAARM CCCCCC(=O)NCCCCCC(=O)[O-] ZINC000002496271 168638009 /nfs/dbraw/zinc/63/80/09/168638009.db2.gz MKUVXMJTZYPRAK-UHFFFAOYSA-N -1 0 229.320 2.328 50 0 BEAARM CC(=O)C=C([O-])c1cc(Cl)ccc1O ZINC000100222701 187458518 /nfs/dbraw/zinc/45/85/18/187458518.db2.gz DPZZGIRQJCKZAU-UHFFFAOYSA-N -1 0 212.632 2.207 50 0 BEAARM CC(=O)S[C@H](CC(=O)[O-])c1ccccc1 ZINC000004725224 191120498 /nfs/dbraw/zinc/12/04/98/191120498.db2.gz PGQPCPFNHSITJO-SNVBAGLBSA-N -1 0 224.281 2.482 50 0 BEAARM Cc1onc(C(=O)[O-])c1COc1ccccc1 ZINC000006658330 180552972 /nfs/dbraw/zinc/55/29/72/180552972.db2.gz ANYZXRACRRTPTD-UHFFFAOYSA-N -1 0 233.223 2.260 50 0 BEAARM O=Cc1ccc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000725271093 538103244 /nfs/dbraw/zinc/10/32/44/538103244.db2.gz YXVKUSOTQUURBE-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM O=C([O-])c1ccc(Br)c(Cl)n1 ZINC000038531738 187773850 /nfs/dbraw/zinc/77/38/50/187773850.db2.gz SEBJRHGSFJEWFZ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM CN(C)c1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214231 187777603 /nfs/dbraw/zinc/77/76/03/187777603.db2.gz FLRDZAZXIZUWBY-UHFFFAOYSA-N -1 0 249.310 2.436 50 0 BEAARM Cc1ccc(C)c(NC(=O)CCC(=O)[O-])c1 ZINC000000064847 188099044 /nfs/dbraw/zinc/09/90/44/188099044.db2.gz ZBAQXQRTGNBUJL-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM Cc1ccc(OCn2ccc(C(=O)[O-])n2)c(C)c1 ZINC000002535563 188100921 /nfs/dbraw/zinc/10/09/21/188100921.db2.gz MUPMYCIQKFNQOC-UHFFFAOYSA-N -1 0 246.266 2.235 50 0 BEAARM Nc1cccnc1-c1ccc(C(=O)[O-])cc1 ZINC000004244088 188101934 /nfs/dbraw/zinc/10/19/34/188101934.db2.gz JKUXNNSVOYEEQX-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM CCc1ccc(OCc2n[n-]c(=S)o2)cc1 ZINC000005908910 188103399 /nfs/dbraw/zinc/10/33/99/188103399.db2.gz SQDDTWXGQIWUGA-UHFFFAOYSA-N -1 0 236.296 2.500 50 0 BEAARM CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000019411000 188108073 /nfs/dbraw/zinc/10/80/73/188108073.db2.gz DTOPCFJHOIYCNF-JTQLQIEISA-N -1 0 230.210 2.453 50 0 BEAARM CC1(C)Cc2cccc(OCCC(=O)[O-])c2O1 ZINC000021968601 188109071 /nfs/dbraw/zinc/10/90/71/188109071.db2.gz JODWXVNYYIVABX-UHFFFAOYSA-N -1 0 236.267 2.254 50 0 BEAARM C[C@H](CCC(=O)[O-])C(=O)c1ccccc1 ZINC000075613023 188115859 /nfs/dbraw/zinc/11/58/59/188115859.db2.gz CVWMDGKRYGCFTF-SECBINFHSA-N -1 0 206.241 2.370 50 0 BEAARM C/C=C/C=C/C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000087622623 188144784 /nfs/dbraw/zinc/14/47/84/188144784.db2.gz JWMBSFMTRPJCIS-BLHCBFLLSA-N -1 0 239.315 2.124 50 0 BEAARM COc1ccc(Br)c(C(=O)[O-])c1F ZINC000075852040 188133602 /nfs/dbraw/zinc/13/36/02/188133602.db2.gz VDLHUQOLSIRYKF-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM S=c1nc2[n-]cnc(Cl)c-2s1 ZINC000095495987 188146346 /nfs/dbraw/zinc/14/63/46/188146346.db2.gz JEEZEVISECGTRZ-UHFFFAOYSA-N -1 0 203.679 2.028 50 0 BEAARM Cc1cc(Cl)cc(Cl)c1[C@@H](O)C(=O)[O-] ZINC000263624875 188193359 /nfs/dbraw/zinc/19/33/59/188193359.db2.gz UVQSVDFRAMJOAZ-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM CC(C)CSCCCSc1n[nH]c(=O)[n-]1 ZINC000194622834 188175550 /nfs/dbraw/zinc/17/55/50/188175550.db2.gz HHNWYQIVQJSPTQ-UHFFFAOYSA-N -1 0 247.389 2.382 50 0 BEAARM COc1ccc(CCCCC(=O)[O-])cc1 ZINC000001594130 188454156 /nfs/dbraw/zinc/45/41/56/188454156.db2.gz BGPOHJSGSYVQSU-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM CC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000000192690 188453558 /nfs/dbraw/zinc/45/35/58/188453558.db2.gz DUGWBMXFSCILOV-LLVKDONJSA-N -1 0 206.241 2.224 50 0 BEAARM C/C=C(\C)C(=O)N[C@@H](CCCCC)C(=O)[O-] ZINC000097036361 188501724 /nfs/dbraw/zinc/50/17/24/188501724.db2.gz AVPKRTJGAIGVDG-CYNRKNSPSA-N -1 0 227.304 2.102 50 0 BEAARM CCC1(NC(=O)c2ccc(C(=O)[O-])cc2)CCC1 ZINC000095989957 188500463 /nfs/dbraw/zinc/50/04/63/188500463.db2.gz WKSSKCLBKJCNTJ-UHFFFAOYSA-N -1 0 247.294 2.447 50 0 BEAARM CC(=O)C[C@H](C(=O)[O-])c1c[nH]c2ccccc21 ZINC000000518056 188514491 /nfs/dbraw/zinc/51/44/91/188514491.db2.gz BKIUZZPRRUFEPJ-JTQLQIEISA-N -1 0 231.251 2.315 50 0 biogenic BEAARM C/C=C/C=C\C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000096129803 188544342 /nfs/dbraw/zinc/54/43/42/188544342.db2.gz JWMBSFMTRPJCIS-MUIOLIGRSA-N -1 0 239.315 2.124 50 0 BEAARM CC(C)c1ccc(-n2nncc2CC(=O)[O-])cc1 ZINC000011888185 355769376 /nfs/dbraw/zinc/76/93/76/355769376.db2.gz AOZNYHPPBILJPQ-UHFFFAOYSA-N -1 0 245.282 2.018 50 0 BEAARM O=C([O-])c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC000021962431 356550034 /nfs/dbraw/zinc/55/00/34/356550034.db2.gz SKEMDXFVYOXUAB-UHFFFAOYSA-N -1 0 246.241 2.198 50 0 BEAARM Cc1ccc(N[C@@H]2CCC[C@H](C(=O)[O-])C2)nc1 ZINC000090676117 538591362 /nfs/dbraw/zinc/59/13/62/538591362.db2.gz GNNGXKMWFKSETA-WDEREUQCSA-N -1 0 234.299 2.445 50 0 BEAARM C/C(=C\c1ccccc1)[C@H](C(=O)[O-])C(N)=S ZINC000075280115 356938748 /nfs/dbraw/zinc/93/87/48/356938748.db2.gz YPRDDBBOUCUUNA-JARNTUPDSA-N -1 0 235.308 2.077 50 0 BEAARM Cc1cc(F)ccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000258229657 538777800 /nfs/dbraw/zinc/77/78/00/538777800.db2.gz QVMSVHLOZWLCFT-UHFFFAOYSA-N -1 0 220.203 2.222 50 0 BEAARM CC(C)CC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013448564 538806647 /nfs/dbraw/zinc/80/66/47/538806647.db2.gz RWKJANPGEWQNCI-UHFFFAOYSA-N -1 0 247.294 2.320 50 0 BEAARM CCOc1cc(C(=O)[O-])ccc1-c1cn[nH]c1 ZINC000223840938 357118306 /nfs/dbraw/zinc/11/83/06/357118306.db2.gz QBUKXEUQXVRCRE-UHFFFAOYSA-N -1 0 232.239 2.174 50 0 BEAARM CC(C)=CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000133851640 219911210 /nfs/dbraw/zinc/91/12/10/219911210.db2.gz PLLMKZHYFUJFBC-LLVKDONJSA-N -1 0 245.278 2.168 50 0 BEAARM CCCc1onc(-c2nccs2)c1C(=O)[O-] ZINC000675057319 541463021 /nfs/dbraw/zinc/46/30/21/541463021.db2.gz AQVGPWHAWKMUFO-UHFFFAOYSA-N -1 0 238.268 2.449 50 0 BEAARM CCc1onc(-c2scnc2C)c1C(=O)[O-] ZINC000675057368 541463033 /nfs/dbraw/zinc/46/30/33/541463033.db2.gz CWWNKFVGOPZEHP-UHFFFAOYSA-N -1 0 238.268 2.367 50 0 BEAARM O=[S@@]([O-])c1ccc(F)cc1C(F)(F)F ZINC000125983132 541468560 /nfs/dbraw/zinc/46/85/60/541468560.db2.gz NFNCAKZUFIZQRC-UHFFFAOYSA-N -1 0 228.166 2.425 50 0 BEAARM CC(C)(O)[C@@H](Sc1ccccc1)C(=O)[O-] ZINC000205432823 368399052 /nfs/dbraw/zinc/39/90/52/368399052.db2.gz UAZMAHZWIUPCSL-VIFPVBQESA-N -1 0 226.297 2.003 50 0 BEAARM CC(C)c1ccccc1N1C[C@H](C(=O)[O-])C[C@H]1O ZINC000101322686 368382869 /nfs/dbraw/zinc/38/28/69/368382869.db2.gz WUHLHTXBWLRYKD-ZWNOBZJWSA-N -1 0 249.310 2.039 50 0 BEAARM O=C([O-])c1ccccc1-c1cnc2cccnn21 ZINC000223803311 368402417 /nfs/dbraw/zinc/40/24/17/368402417.db2.gz OGLALPKXNMBNJM-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM Cc1cc(C([O-])=C2CCCC2=O)c(C)o1 ZINC000105748093 369065089 /nfs/dbraw/zinc/06/50/89/369065089.db2.gz JZDAGQVMPUQGLL-VIFPVBQESA-N -1 0 206.241 2.448 50 0 BEAARM CCCCCCC[C@@H]1OC(=O)C[C@@H]1C(=O)[O-] ZINC000008402562 372702088 /nfs/dbraw/zinc/70/20/88/372702088.db2.gz GLJAEVIGKCSCRV-UWVGGRQHSA-N -1 0 228.288 2.363 50 0 BEAARM Nc1ccc(C(=O)[O-])c(Cl)c1Cl ZINC000039086965 372863182 /nfs/dbraw/zinc/86/31/82/372863182.db2.gz BBFIYTYIHNSBCO-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM O=c1c2c([n-]n1-c1ccc(F)cc1)CCCC2 ZINC000009306328 373874587 /nfs/dbraw/zinc/87/45/87/373874587.db2.gz VRYFUSSDEZQLOF-UHFFFAOYSA-N -1 0 232.258 2.184 50 0 BEAARM O=C([N-]CCc1ccc(F)cc1)C(F)(F)F ZINC000066322565 182201846 /nfs/dbraw/zinc/20/18/46/182201846.db2.gz HGRAXJNODUZXRZ-UHFFFAOYSA-N -1 0 235.180 2.047 50 0 BEAARM O=C([N-]Cc1ccccc1)C(F)(F)Cl ZINC000001402808 182256314 /nfs/dbraw/zinc/25/63/14/182256314.db2.gz MGSLNCQFARYTLC-UHFFFAOYSA-N -1 0 219.618 2.134 50 0 BEAARM O=C([O-])C1(c2nc3ccccc3s2)CC1 ZINC000091692806 182425916 /nfs/dbraw/zinc/42/59/16/182425916.db2.gz QUWHGOUREPPWBB-UHFFFAOYSA-N -1 0 219.265 2.413 50 0 BEAARM O=C([O-])CCc1ccc2c(c1)OC(F)(F)O2 ZINC000083071133 182454308 /nfs/dbraw/zinc/45/43/08/182454308.db2.gz MQYASWNSYMYWRG-UHFFFAOYSA-N -1 0 230.166 2.025 50 0 BEAARM O=C([O-])Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000020222900 182495992 /nfs/dbraw/zinc/49/59/92/182495992.db2.gz PSENGFPENKIPMI-UHFFFAOYSA-N -1 0 238.630 2.017 50 0 BEAARM O=C([O-])Cc1cc2cccnc2cc1F ZINC000067172952 182490683 /nfs/dbraw/zinc/49/06/83/182490683.db2.gz QLIYCOZDTFRSOW-UHFFFAOYSA-N -1 0 205.188 2.001 50 0 BEAARM O=C([O-])Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000002024754 182492298 /nfs/dbraw/zinc/49/22/98/182492298.db2.gz BVIKWSHXSKAPIL-UHFFFAOYSA-N -1 0 245.065 2.268 50 0 BEAARM O=C([O-])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000040734166 182529173 /nfs/dbraw/zinc/52/91/73/182529173.db2.gz MIEFWJKVKNYRRC-SSDOTTSWSA-N -1 0 221.039 2.111 50 0 BEAARM O=C([O-])c1ccc(OCC2CC2)c(F)c1 ZINC000020080306 182570690 /nfs/dbraw/zinc/57/06/90/182570690.db2.gz QSUMQCBKOZDHNX-UHFFFAOYSA-N -1 0 210.204 2.313 50 0 BEAARM O=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000115215548 182572204 /nfs/dbraw/zinc/57/22/04/182572204.db2.gz CXWHJKOHPCWJNT-UHFFFAOYSA-N -1 0 204.225 2.294 50 0 BEAARM O=C([O-])c1ccc(-c2ccc3c(c2)OCO3)cn1 ZINC000065347775 182561152 /nfs/dbraw/zinc/56/11/52/182561152.db2.gz BXNYEVLXUVJXME-UHFFFAOYSA-N -1 0 243.218 2.176 50 0 BEAARM O=C([O-])c1cccc(OC2CCCCC2)n1 ZINC000040447898 182579012 /nfs/dbraw/zinc/57/90/12/182579012.db2.gz MKFYNAVRSMQWBY-UHFFFAOYSA-N -1 0 221.256 2.491 50 0 BEAARM O=C([O-])c1csc(Br)c1 ZINC000020281912 182593659 /nfs/dbraw/zinc/59/36/59/182593659.db2.gz YCNXGPMGMAKDPM-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 BEAARM O=C([O-])c1csc(NCc2ccccc2)n1 ZINC000004200331 182594937 /nfs/dbraw/zinc/59/49/37/182594937.db2.gz XKFYNYLHAGNTQF-UHFFFAOYSA-N -1 0 234.280 2.453 50 0 BEAARM O=S(=O)([O-])/C(Cl)=C/c1ccccc1 ZINC000043761469 182901432 /nfs/dbraw/zinc/90/14/32/182901432.db2.gz IMRIYYYRLGPJNM-SOFGYWHQSA-N -1 0 218.661 2.112 50 0 BEAARM O=S(=O)([O-])c1cccc(Cl)c1Cl ZINC000033713946 182903683 /nfs/dbraw/zinc/90/36/83/182903683.db2.gz ZGZXYZZHXXTTJN-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM CCCN(CC)c1ccc(C(=O)[O-])cn1 ZINC000037095369 169133400 /nfs/dbraw/zinc/13/34/00/169133400.db2.gz BODZUNAZEAVNQF-UHFFFAOYSA-N -1 0 208.261 2.016 50 0 BEAARM [O-]c1cncc(Br)c1Cl ZINC000091301455 183305018 /nfs/dbraw/zinc/30/50/18/183305018.db2.gz KZQOYBNJJLOFSJ-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM O=c1nc(-c2cccc(C(F)(F)F)c2)[n-]o1 ZINC000034482986 183307593 /nfs/dbraw/zinc/30/75/93/183307593.db2.gz KYELIEUHUOQBJA-UHFFFAOYSA-N -1 0 230.145 2.461 50 0 BEAARM O=c1[nH]cnc([O-])c1-c1ccccc1Cl ZINC000005278203 183309456 /nfs/dbraw/zinc/30/94/56/183309456.db2.gz OUXQZZYLGAMZEC-UHFFFAOYSA-N -1 0 222.631 2.208 50 0 BEAARM c1ccc(-c2nc([N-]c3ncccn3)n[nH]2)cc1 ZINC000012390656 183382377 /nfs/dbraw/zinc/38/23/77/183382377.db2.gz HEUYILKQWNVVCO-UHFFFAOYSA-N -1 0 238.254 2.005 50 0 BEAARM CCCOC(=O)Nc1ccccc1C(=O)[O-] ZINC000001800715 169298830 /nfs/dbraw/zinc/29/88/30/169298830.db2.gz OCCJPYHQVGODNS-UHFFFAOYSA-N -1 0 223.228 2.343 50 0 BEAARM CCCOC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001800713 169299038 /nfs/dbraw/zinc/29/90/38/169299038.db2.gz MOJJJANIBGZDGJ-UHFFFAOYSA-N -1 0 223.228 2.343 50 0 BEAARM CCCOc1ccc(S(=O)(=O)[O-])c(C)c1 ZINC000002953878 169320593 /nfs/dbraw/zinc/32/05/93/169320593.db2.gz PAWVEWPMZXKBGT-UHFFFAOYSA-N -1 0 230.285 2.031 50 0 BEAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1ccccc1 ZINC000039289772 169375636 /nfs/dbraw/zinc/37/56/36/169375636.db2.gz RPIHURPGNGHLBO-NSHDSACASA-N -1 0 235.283 2.060 50 0 BEAARM [S-]c1cc2c(cc1Cl)OCCO2 ZINC000034974305 383821653 /nfs/dbraw/zinc/82/16/53/383821653.db2.gz HUMGUWVYUWXXNF-UHFFFAOYSA-N -1 0 202.662 2.400 50 0 BEAARM O=C([O-])CSc1cccc2cccnc21 ZINC000000064917 383821849 /nfs/dbraw/zinc/82/18/49/383821849.db2.gz UDBABHVKOSPWKD-UHFFFAOYSA-N -1 0 219.265 2.412 50 0 BEAARM O=C([O-])CCc1nc(C2CCCCC2)no1 ZINC000034972776 383822371 /nfs/dbraw/zinc/82/23/71/383822371.db2.gz FKSRKVGJPNEZAD-UHFFFAOYSA-N -1 0 224.260 2.135 50 0 BEAARM O=C([O-])/C=C/c1ccc(OC(F)F)cc1 ZINC000000087454 383824312 /nfs/dbraw/zinc/82/43/12/383824312.db2.gz OWLKYWTYLFJOGX-ZZXKWVIFSA-N -1 0 214.167 2.386 50 0 BEAARM CC(C)(C)c1ccc(OCC(=O)[O-])cc1 ZINC000000157210 383836116 /nfs/dbraw/zinc/83/61/16/383836116.db2.gz FBIGAJNVRFKBJL-UHFFFAOYSA-N -1 0 208.257 2.448 50 0 BEAARM Cc1noc(-c2ccccc2)c1C(=O)[O-] ZINC000000158938 383836143 /nfs/dbraw/zinc/83/61/43/383836143.db2.gz GLNQCTGGLIXRRJ-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM O=C([O-])COc1cc(Cl)cc(Cl)c1 ZINC000000334867 383856027 /nfs/dbraw/zinc/85/60/27/383856027.db2.gz LXWGIMHMQOCPCR-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])c(O)c2)o1 ZINC000000356341 383858160 /nfs/dbraw/zinc/85/81/60/383858160.db2.gz BKNVVYRQMKQLFC-UHFFFAOYSA-N -1 0 232.191 2.163 50 0 BEAARM Cc1c(Br)cccc1C(=O)[O-] ZINC000000404232 383864526 /nfs/dbraw/zinc/86/45/26/383864526.db2.gz BJGKVCKGUBYULR-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM O=C([O-])CCCC(=O)NC1CCCCCCC1 ZINC000000475491 383872209 /nfs/dbraw/zinc/87/22/09/383872209.db2.gz WHAIQKAGTPUTNS-UHFFFAOYSA-N -1 0 241.331 2.470 50 0 BEAARM O=C([O-])COc1c(Cl)cccc1Cl ZINC000000123600 383829855 /nfs/dbraw/zinc/82/98/55/383829855.db2.gz KHZWIIFEFQBNKL-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 in-vitro BEAARM Cc1noc(COc2ccccc2)c1C(=O)[O-] ZINC000000126803 383830533 /nfs/dbraw/zinc/83/05/33/383830533.db2.gz CCOLRBBJEBHMGA-UHFFFAOYSA-N -1 0 233.223 2.260 50 0 BEAARM Cc1cc(C)c(C(N)=O)c(CC(C)(C)C(=O)[O-])c1 ZINC000000137899 383834008 /nfs/dbraw/zinc/83/40/08/383834008.db2.gz WVGGNNGQUQHGCL-UHFFFAOYSA-N -1 0 249.310 2.056 50 0 BEAARM Cc1ccc(Br)c(C(=O)[O-])c1N ZINC000036828683 383914803 /nfs/dbraw/zinc/91/48/03/383914803.db2.gz CFYMUCDDZDMONG-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM C/C=C/Cc1ccc(OCC(=O)[O-])cc1 ZINC000001699312 383926306 /nfs/dbraw/zinc/92/63/06/383926306.db2.gz OXIFLECLSFRBKV-NSCUHMNNSA-N -1 0 206.241 2.269 50 0 BEAARM O=C([O-])CCc1ccc(F)c(F)c1F ZINC000036204273 383887322 /nfs/dbraw/zinc/88/73/22/383887322.db2.gz ANWNVMXSGRKDIA-UHFFFAOYSA-N -1 0 204.147 2.121 50 0 BEAARM O=C([O-])C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000002649920 383980548 /nfs/dbraw/zinc/98/05/48/383980548.db2.gz FQYHUUNCGUFBAM-UHFFFAOYSA-N -1 0 248.282 2.015 50 0 BEAARM CC(C)C[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583185 383981899 /nfs/dbraw/zinc/98/18/99/383981899.db2.gz GYOVBMLJVOOBQA-LBPRGKRZSA-N -1 0 245.319 2.401 50 0 BEAARM Cc1c(Cl)cccc1OCC(=O)[O-] ZINC000068576029 383999360 /nfs/dbraw/zinc/99/93/60/383999360.db2.gz GLSHQWWBXCWJDK-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM CO[C@H]1CCCC[C@H]1CCCC(=O)[O-] ZINC000071773682 384000446 /nfs/dbraw/zinc/00/04/46/384000446.db2.gz HJJOXJOKFYPOPJ-UWVGGRQHSA-N -1 0 200.278 2.447 50 0 BEAARM NC(=O)c1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000067842104 383950356 /nfs/dbraw/zinc/95/03/56/383950356.db2.gz FSPVGPZFDAPXLR-UHFFFAOYSA-N -1 0 241.246 2.151 50 0 BEAARM Cc1ccc(C)c(-c2nnc(/C=C/C(=O)[O-])o2)c1 ZINC000002179661 383956236 /nfs/dbraw/zinc/95/62/36/383956236.db2.gz ZJRMTZSJPDNTCV-AATRIKPKSA-N -1 0 244.250 2.451 50 0 BEAARM O=C([O-])CCC(=O)Nc1ccccc1Cl ZINC000002451364 383963398 /nfs/dbraw/zinc/96/33/98/383963398.db2.gz GWHPLVIIGOTUJS-UHFFFAOYSA-N -1 0 227.647 2.143 50 0 BEAARM O=Cc1cc(Br)cc(F)c1[O-] ZINC000002510734 383967983 /nfs/dbraw/zinc/96/79/83/383967983.db2.gz YYCQXIWKIRQWHN-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM O=C([O-])CC(=O)Oc1ccc(Cl)cc1Cl ZINC000002557475 383974121 /nfs/dbraw/zinc/97/41/21/383974121.db2.gz BZEPYLGATHPLOW-UHFFFAOYSA-N -1 0 249.049 2.374 50 0 BEAARM O=C([O-])Cc1ccc(C(F)(F)F)c(F)c1 ZINC000002560197 383976045 /nfs/dbraw/zinc/97/60/45/383976045.db2.gz ZFOWDXKJQNNLMW-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM Cc1cc(C)c2c(O)c(C(=O)[O-])cnc2c1 ZINC000003677355 384023099 /nfs/dbraw/zinc/02/30/99/384023099.db2.gz OSORQRJBQWVNLE-UHFFFAOYSA-N -1 0 217.224 2.255 50 0 BEAARM CCc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000003677328 384023331 /nfs/dbraw/zinc/02/33/31/384023331.db2.gz RESVKOSPFKHQBK-UHFFFAOYSA-N -1 0 217.224 2.201 50 0 in-vivo BEAARM CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000004218992 384048257 /nfs/dbraw/zinc/04/82/57/384048257.db2.gz FHXRDNPWHSTOGC-UHFFFAOYSA-N -1 0 229.235 2.496 50 0 BEAARM O=Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000004237612 384049663 /nfs/dbraw/zinc/04/96/63/384049663.db2.gz QPFRPACBZHRJED-UHFFFAOYSA-N -1 0 246.218 2.369 50 0 BEAARM O=C([O-])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000004265140 384052176 /nfs/dbraw/zinc/05/21/76/384052176.db2.gz LQIBHDUPSIQRPV-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 in-vitro BEAARM O=C([O-])CSc1ncccc1C(F)(F)F ZINC000004052752 384039263 /nfs/dbraw/zinc/03/92/63/384039263.db2.gz VYISVYZFFHKECJ-UHFFFAOYSA-N -1 0 237.202 2.277 50 0 BEAARM CC(=O)c1cn(CCC(=O)[O-])c2ccccc12 ZINC000004933360 384088079 /nfs/dbraw/zinc/08/80/79/384088079.db2.gz DWVWXXMZRUKODS-UHFFFAOYSA-N -1 0 231.251 2.319 50 0 biogenic BEAARM CCc1cccc2c(C(C)=O)cn(CC(=O)[O-])c21 ZINC000004932091 384089191 /nfs/dbraw/zinc/08/91/91/384089191.db2.gz MXVKFAWREZCKEO-UHFFFAOYSA-N -1 0 245.278 2.491 50 0 BEAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000077389080 384067477 /nfs/dbraw/zinc/06/74/77/384067477.db2.gz LHCJPDONJNMLDQ-ZETCQYMHSA-N -1 0 241.674 2.308 50 0 BEAARM O=S(=O)([O-])c1ccc(Cl)c(Cl)c1 ZINC000004578959 384069127 /nfs/dbraw/zinc/06/91/27/384069127.db2.gz WIWQDBABYGRKEW-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1 ZINC000038283909 384080825 /nfs/dbraw/zinc/08/08/25/384080825.db2.gz LEJWPWXRHHUDRH-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 in-vitro BEAARM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000070414960 384106485 /nfs/dbraw/zinc/10/64/85/384106485.db2.gz PMBPWNBVQINJRH-SECBINFHSA-N -1 0 245.319 2.401 50 0 BEAARM Cc1cc(C)c2[nH]c(=O)c(C(=O)[O-])cc2c1 ZINC000005445878 384115171 /nfs/dbraw/zinc/11/51/71/384115171.db2.gz ZVMVLTNMTITPBQ-UHFFFAOYSA-N -1 0 217.224 2.255 50 0 BEAARM Cc1cc(C)c(-n2cccn2)c(C(=O)[O-])c1 ZINC000040449002 384153360 /nfs/dbraw/zinc/15/33/60/384153360.db2.gz STICVYKWOBZMBT-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM O=C([O-])c1cc(Br)cc(Cl)n1 ZINC000071250791 384153920 /nfs/dbraw/zinc/15/39/20/384153920.db2.gz LURFXJAIIJVQFA-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM COC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000040448754 384154963 /nfs/dbraw/zinc/15/49/63/384154963.db2.gz FMCZQIFKXIGAFL-UHFFFAOYSA-N -1 0 209.226 2.277 50 0 BEAARM COc1cc(C)c(C(=O)[O-])cc1Cl ZINC000071508110 384169003 /nfs/dbraw/zinc/16/90/03/384169003.db2.gz AHFTWOUIHLEZHE-UHFFFAOYSA-N -1 0 200.621 2.355 50 0 BEAARM CCOc1ccc2nc(C(=O)[O-])cc(OC)c2c1 ZINC000071775329 384177855 /nfs/dbraw/zinc/17/78/55/384177855.db2.gz LBRBSQHFIRVALP-UHFFFAOYSA-N -1 0 247.250 2.340 50 0 BEAARM C[C@@H](C(=O)[O-])c1ccc(C[C@H](C)CO)cc1 ZINC000071773499 384178346 /nfs/dbraw/zinc/17/83/46/384178346.db2.gz HFAIHLSDLUYLQA-VHSXEESVSA-N -1 0 222.284 2.046 50 0 world BEAARM O=C([O-])/C=C\C(=O)Nc1cccc2c1CCCC2 ZINC000033363550 384203814 /nfs/dbraw/zinc/20/38/14/384203814.db2.gz NWIOLOZYQWUIIL-HJWRWDBZSA-N -1 0 245.278 2.145 50 0 BEAARM Cc1nc(-c2cc(C(=O)[O-])n(C)c2)cs1 ZINC000007814927 384187309 /nfs/dbraw/zinc/18/73/09/384187309.db2.gz PBMHNTULTGNALX-UHFFFAOYSA-N -1 0 222.269 2.155 50 0 BEAARM CC(=O)C12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000008075007 384193933 /nfs/dbraw/zinc/19/39/33/384193933.db2.gz MKSYFGOQROAZCW-ASZHBFLOSA-N -1 0 222.284 2.247 50 0 BEAARM CC(F)(F)c1cccc(CC(=O)[O-])c1 ZINC000096029644 384195064 /nfs/dbraw/zinc/19/50/64/384195064.db2.gz OYSJTIVJUBLWCL-UHFFFAOYSA-N -1 0 200.184 2.425 50 0 BEAARM O=C([O-])c1ccc(Cc2ccccc2)[nH]1 ZINC000072324044 384207908 /nfs/dbraw/zinc/20/79/08/384207908.db2.gz ZBSCFAWMXYYNNB-UHFFFAOYSA-N -1 0 201.225 2.304 50 0 BEAARM Cc1[nH]nc(-c2ccsc2)c1CC(=O)[O-] ZINC000072324058 384208614 /nfs/dbraw/zinc/20/86/14/384208614.db2.gz YYTFEYKCKRKAAV-UHFFFAOYSA-N -1 0 222.269 2.074 50 0 BEAARM O=C([O-])/C=C/C(=O)Nc1cccc2ccccc21 ZINC000012368464 384314199 /nfs/dbraw/zinc/31/41/99/384314199.db2.gz DNIIAZFRGKFYSJ-CMDGGOBGSA-N -1 0 241.246 2.419 50 0 BEAARM Cc1cc(C(=O)[O-])sc1-c1cnn(C)c1 ZINC000012397072 384315625 /nfs/dbraw/zinc/31/56/25/384315625.db2.gz CLNKGFSOZUDJGG-UHFFFAOYSA-N -1 0 222.269 2.155 50 0 BEAARM C[C@H](CNC(=O)C1CCCCCC1)CC(=O)[O-] ZINC000097016303 384283869 /nfs/dbraw/zinc/28/38/69/384283869.db2.gz WBCUFWICIDKPEU-JTQLQIEISA-N -1 0 241.331 2.184 50 0 BEAARM O=Cc1c([O-])cc(Br)cc1F ZINC000095830475 384400691 /nfs/dbraw/zinc/40/06/91/384400691.db2.gz HUGAOJJHGWGVDT-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM O=C([O-])c1cc2[nH]c(Br)ccc-2n1 ZINC000095919908 384407232 /nfs/dbraw/zinc/40/72/32/384407232.db2.gz CZMLLVBNKAZHMK-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])C(=O)c1c(Cl)ccc(F)c1Cl ZINC000095495552 384377436 /nfs/dbraw/zinc/37/74/36/384377436.db2.gz YIFUMRYRMXUAFN-UHFFFAOYSA-N -1 0 237.013 2.400 50 0 BEAARM CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000060007093 384389797 /nfs/dbraw/zinc/38/97/97/384389797.db2.gz XLDQNKSCLODJJQ-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM Cc1cc(C(=O)[O-])n(-c2ccccc2F)n1 ZINC000015442878 384432248 /nfs/dbraw/zinc/43/22/48/384432248.db2.gz XHKBTXNLXBMUBG-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=C([O-])c1c(C(F)F)n[nH]c1C(F)(F)F ZINC000078870112 384471599 /nfs/dbraw/zinc/47/15/99/384471599.db2.gz OEISKAOFWXITBU-UHFFFAOYSA-N -1 0 230.092 2.064 50 0 BEAARM CCCn1nc(C)nc1-c1cccc(C(=O)[O-])c1 ZINC000097604250 384535860 /nfs/dbraw/zinc/53/58/60/384535860.db2.gz FASPEWDQZFWESH-UHFFFAOYSA-N -1 0 245.282 2.362 50 0 BEAARM CN(Cc1ccccc1)c1cc(C(=O)[O-])ccn1 ZINC000019844899 384544529 /nfs/dbraw/zinc/54/45/29/384544529.db2.gz VRSQKAXGYDIOFP-UHFFFAOYSA-N -1 0 242.278 2.416 50 0 BEAARM O=C([O-])CCc1ccc(OC(F)F)cc1 ZINC000019809007 384540153 /nfs/dbraw/zinc/54/01/53/384540153.db2.gz FOBBJWXKCGHQLT-UHFFFAOYSA-N -1 0 216.183 2.305 50 0 BEAARM CC(C)(C)Oc1cc(C(=O)[O-])c(N)cc1F ZINC000050034932 384586454 /nfs/dbraw/zinc/58/64/54/384586454.db2.gz FKUPGSCTUWWIMH-UHFFFAOYSA-N -1 0 227.235 2.283 50 0 BEAARM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000098095692 384592917 /nfs/dbraw/zinc/59/29/17/384592917.db2.gz JYCRXMSJGZWACP-RKDXNWHRSA-N -1 0 243.303 2.107 50 0 BEAARM Cc1cc(C)c(C(=O)[O-])c(OC2CCC2)n1 ZINC000050519604 384632116 /nfs/dbraw/zinc/63/21/16/384632116.db2.gz ULCYEGWQENYMDK-UHFFFAOYSA-N -1 0 221.256 2.328 50 0 BEAARM CC[C@@H](C)c1ccccc1NC(=O)C(=O)[O-] ZINC000020204819 384600075 /nfs/dbraw/zinc/60/00/75/384600075.db2.gz AYDNFWYGEAPZAQ-MRVPVSSYSA-N -1 0 221.256 2.223 50 0 BEAARM O=C([O-])c1cc(Cc2ccc(F)cc2)no1 ZINC000082364779 384674302 /nfs/dbraw/zinc/67/43/02/384674302.db2.gz CGCKSMPTRVEOFI-UHFFFAOYSA-N -1 0 221.187 2.103 50 0 BEAARM O=c1c2c([n-]n1-c1ccccc1)CCC2 ZINC000100385047 384638287 /nfs/dbraw/zinc/63/82/87/384638287.db2.gz XTVSZSYGOCWZGH-JTQLQIEISA-N -1 0 200.241 2.189 50 0 BEAARM O=C([O-])c1c(C(F)(F)F)noc1C(F)(F)F ZINC000082160213 384648362 /nfs/dbraw/zinc/64/83/62/384648362.db2.gz MYSRDWZKCVMUKM-UHFFFAOYSA-N -1 0 249.066 2.410 50 0 BEAARM O=C([O-])c1ccc(NCC[C@@H]2CCCO2)cc1 ZINC000050913406 384650368 /nfs/dbraw/zinc/65/03/68/384650368.db2.gz FZOVIQODSGRVAW-LBPRGKRZSA-N -1 0 235.283 2.366 50 0 BEAARM O=C([O-])CCC(=O)OC/C=C\c1ccccc1 ZINC000022015381 384723757 /nfs/dbraw/zinc/72/37/57/384723757.db2.gz BPDHTMWHCGONPX-DAXSKMNVSA-N -1 0 234.251 2.108 50 0 BEAARM CCOc1ccc(/C=C/C(=O)[O-])cc1C ZINC000082593658 384695324 /nfs/dbraw/zinc/69/53/24/384695324.db2.gz VYVAIGBPUJFOQQ-FNORWQNLSA-N -1 0 206.241 2.492 50 0 BEAARM C[C@@]1(c2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC000052126511 384717874 /nfs/dbraw/zinc/71/78/74/384717874.db2.gz KEZWLMCNLNEKOA-KSBSHMNSSA-N -1 0 212.195 2.327 50 0 BEAARM O=C([O-])c1ccc(C2=NCc3ccccc3N2)o1 ZINC000072329985 384808201 /nfs/dbraw/zinc/80/82/01/384808201.db2.gz GRIJEFHGVWUVJM-UHFFFAOYSA-N -1 0 242.234 2.159 50 0 BEAARM COc1c(Br)ccc(F)c1C(=O)[O-] ZINC000205775283 384884520 /nfs/dbraw/zinc/88/45/20/384884520.db2.gz WRSPJCQSBRAYCE-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM O=C([O-])c1ccc(-n2cccc2)c(F)c1 ZINC000057218676 384931751 /nfs/dbraw/zinc/93/17/51/384931751.db2.gz ATFCCZZCELDWDM-UHFFFAOYSA-N -1 0 205.188 2.315 50 0 BEAARM Cc1c2ccccc2sc1C(=O)C(=O)[O-] ZINC000057218678 384932240 /nfs/dbraw/zinc/93/22/40/384932240.db2.gz XUSVJLDZZOIHHL-UHFFFAOYSA-N -1 0 220.249 2.477 50 0 BEAARM Nc1nc(C(=O)[O-])c(-c2cccc(F)c2)s1 ZINC000085389395 384943112 /nfs/dbraw/zinc/94/31/12/384943112.db2.gz IXJZJGOHTCDPBX-UHFFFAOYSA-N -1 0 238.243 2.230 50 0 BEAARM CCCC[C@@H](CC)C(=O)NC1=NCCS1 ZINC000005466601 385117046 /nfs/dbraw/zinc/11/70/46/385117046.db2.gz BOJOIVUYTYKROJ-SECBINFHSA-N -1 0 228.361 2.422 50 0 BEAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])n(C)n2)c1 ZINC000061957800 385149188 /nfs/dbraw/zinc/14/91/88/385149188.db2.gz UODSQVQCKXHFCU-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM O=C([O-])CCc1conc1-c1ccc(F)cc1 ZINC000169676696 385416395 /nfs/dbraw/zinc/41/63/95/385416395.db2.gz MIWUWHGZDAYYOP-UHFFFAOYSA-N -1 0 235.214 2.498 50 0 BEAARM CC(=O)c1ccc(Cl)cc1OCC(=O)[O-] ZINC000005817141 385781340 /nfs/dbraw/zinc/78/13/40/385781340.db2.gz PZWRMRSMUNXYCJ-UHFFFAOYSA-N -1 0 228.631 2.006 50 0 BEAARM O=C([O-])c1cncnc1N1CCCCCCCC1 ZINC000095380624 385857763 /nfs/dbraw/zinc/85/77/63/385857763.db2.gz AMJYCSZPBHIEPG-UHFFFAOYSA-N -1 0 249.314 2.335 50 0 BEAARM O=C([O-])c1cc2ccc(Br)[nH]c-2n1 ZINC000095627674 385872413 /nfs/dbraw/zinc/87/24/13/385872413.db2.gz KVEARZKPFHWGAS-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM CC(C)[C@](O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000071777493 385879970 /nfs/dbraw/zinc/87/99/70/385879970.db2.gz UCQCXYRVWYZZJI-LLVKDONJSA-N -1 0 228.675 2.268 50 0 BEAARM O=C([O-])C(F)(F)c1ccc(F)c(F)c1 ZINC000031829518 385965912 /nfs/dbraw/zinc/96/59/12/385965912.db2.gz YRUJIZVSJXMXLU-UHFFFAOYSA-N -1 0 208.110 2.141 50 0 BEAARM O=C([O-])[C@@H](O)c1ccc(Cl)c(Cl)c1F ZINC000263624868 386159622 /nfs/dbraw/zinc/15/96/22/386159622.db2.gz UUSLYGPIXPFIST-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236646535 386295804 /nfs/dbraw/zinc/29/58/04/386295804.db2.gz MHEHUITXDIBGNG-UHFFFAOYSA-N -1 0 237.255 2.130 50 0 BEAARM CC[C@@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-] ZINC000236878341 386319872 /nfs/dbraw/zinc/31/98/72/386319872.db2.gz UDLULGNLIVKTTN-SNVBAGLBSA-N -1 0 241.331 2.182 50 0 BEAARM CC[C@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-] ZINC000236985073 386334098 /nfs/dbraw/zinc/33/40/98/386334098.db2.gz UDLULGNLIVKTTN-JTQLQIEISA-N -1 0 241.331 2.182 50 0 BEAARM CC(=O)c1ccc2cc(C(=O)[O-])cnc2c1 ZINC000328578020 386526184 /nfs/dbraw/zinc/52/61/84/386526184.db2.gz JORIAGSAUPSQET-UHFFFAOYSA-N -1 0 215.208 2.136 50 0 BEAARM O=C([O-])Cc1cccc(NC(=O)C2CC=CC2)c1 ZINC000087844766 386790822 /nfs/dbraw/zinc/79/08/22/386790822.db2.gz UMTRGFFSFMVZPF-UHFFFAOYSA-N -1 0 245.278 2.218 50 0 BEAARM O=C(C1=C([O-])c2ccccc2C1)C(F)(F)F ZINC000100085620 387041048 /nfs/dbraw/zinc/04/10/48/387041048.db2.gz PNRJZXFAWRYLHE-MRVPVSSYSA-N -1 0 228.169 2.173 50 0 BEAARM CC(=C\C(=O)[O-])/C=C\c1ccc2c(c1)OCO2 ZINC000017164383 387379819 /nfs/dbraw/zinc/37/98/19/387379819.db2.gz WFBLTWGKKQPNHH-NRNOEJAFSA-N -1 0 232.235 2.459 50 0 BEAARM CC/C=C\C[C@H]1[C@@H](CC(=O)[O-])CC[C@@H]1O ZINC000004097615 387495646 /nfs/dbraw/zinc/49/56/46/387495646.db2.gz LYSGIJUGUGJIPS-UOMVISFLSA-N -1 0 212.289 2.205 50 0 in-vitro BEAARM Cn1nc(C(=O)[O-])cc1-c1cc(F)ccc1F ZINC000036164070 387582191 /nfs/dbraw/zinc/58/21/91/387582191.db2.gz GLFRHWGSGFTSFP-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM Cc1cc2onc(CC(=O)[O-])c2c(C)c1 ZINC000019946253 177878355 /nfs/dbraw/zinc/87/83/55/177878355.db2.gz YEVPEZKRPWQZDX-UHFFFAOYSA-N -1 0 205.213 2.072 50 0 BEAARM O=C([O-])Cc1ccc(OCC2CCC2)cc1 ZINC000083837916 388063756 /nfs/dbraw/zinc/06/37/56/388063756.db2.gz FLFXBBXYJLTWQK-UHFFFAOYSA-N -1 0 220.268 2.493 50 0 BEAARM C[C@@H](CN(C(=O)c1ccccc1)C1CC1)C(=O)[O-] ZINC000071731004 388111680 /nfs/dbraw/zinc/11/16/80/388111680.db2.gz FEKORTYTHATJSW-JTQLQIEISA-N -1 0 247.294 2.012 50 0 BEAARM Cc1cc(=O)cc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000170622816 388261249 /nfs/dbraw/zinc/26/12/49/388261249.db2.gz LHJOOOKKVPMQMT-UHFFFAOYSA-N -1 0 230.219 2.313 50 0 BEAARM O=C([O-])C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000042144180 388268158 /nfs/dbraw/zinc/26/81/58/388268158.db2.gz NEOXUKZCJYPCPM-LLVKDONJSA-N -1 0 239.315 2.032 50 0 BEAARM Cc1cc(=O)[n-]c(N=NC[C@@H]2CC=CCC2)n1 ZINC000254683066 388350299 /nfs/dbraw/zinc/35/02/99/388350299.db2.gz OSVTXCNZJBPEOQ-SNVBAGLBSA-N -1 0 232.287 2.245 50 0 BEAARM Cc1c(NC(=O)[C@@H]2C[C@H]2C)cccc1C(=O)[O-] ZINC000057351900 388357961 /nfs/dbraw/zinc/35/79/61/388357961.db2.gz TYGGYUZQLBNKGD-GMSGAONNSA-N -1 0 233.267 2.288 50 0 BEAARM CCC[C@](C)(NC(=O)[C@@H](C)C(C)C)C(=O)[O-] ZINC000069684955 388424531 /nfs/dbraw/zinc/42/45/31/388424531.db2.gz XWRXDKMAQUKABW-CABZTGNLSA-N -1 0 229.320 2.038 50 0 BEAARM CC(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000085390031 388588381 /nfs/dbraw/zinc/58/83/81/388588381.db2.gz BUIHXCCPDBHYJZ-UHFFFAOYSA-N -1 0 222.240 2.375 50 0 BEAARM O=C([O-])[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000019392978 132324692 /nfs/dbraw/zinc/32/46/92/132324692.db2.gz SNIJJDOFXHTRLC-QMMMGPOBSA-N -1 0 240.690 2.036 50 0 BEAARM Cc1ccc2oc(N(C)C[C@@H](C)C(=O)[O-])nc2c1 ZINC000263565317 135360389 /nfs/dbraw/zinc/36/03/89/135360389.db2.gz VOKWKGVMJBAFMX-SECBINFHSA-N -1 0 248.282 2.293 50 0 BEAARM O=[P@]([O-])(O)[C@H](O)c1ccc2ccccc2c1 ZINC000028755859 397990399 /nfs/dbraw/zinc/99/03/99/397990399.db2.gz AMJJLDJPDLKNJA-NSHDSACASA-N -1 0 238.179 2.008 50 0 in-vitro BEAARM O=c1c2c([n-]n1-c1ccccc1)CCCCC2 ZINC000070136310 398126163 /nfs/dbraw/zinc/12/61/63/398126163.db2.gz RAFAOVIAHTZSAF-UHFFFAOYSA-N -1 0 228.295 2.435 50 0 BEAARM CC(C)OCc1cc(C(=O)[O-])ccc1F ZINC000062761025 167271374 /nfs/dbraw/zinc/27/13/74/167271374.db2.gz VDAAMTSUFBSDMP-UHFFFAOYSA-N -1 0 212.220 2.449 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)[O-] ZINC000016697114 409660443 /nfs/dbraw/zinc/66/04/43/409660443.db2.gz BDAXXVZMKUJADB-LBPRGKRZSA-N -1 0 243.303 2.251 50 0 BEAARM C/C(=C(\Br)C(=O)[O-])C(F)(F)F ZINC000008698416 166232134 /nfs/dbraw/zinc/23/21/34/166232134.db2.gz QOSBCILIDDOEPN-NSCUHMNNSA-N -1 0 232.983 2.302 50 0 BEAARM CC(C)CCOc1ccc(C(=O)[O-])cc1N ZINC000036225658 166883010 /nfs/dbraw/zinc/88/30/10/166883010.db2.gz WCRXLOVISGRZSQ-UHFFFAOYSA-N -1 0 223.272 2.392 50 0 BEAARM CC(C)NC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000057537682 167065427 /nfs/dbraw/zinc/06/54/27/167065427.db2.gz YBIIGQFNFKEDAM-GFCCVEGCSA-N -1 0 249.310 2.160 50 0 BEAARM CC(C)Oc1ccc([S@@](=O)[O-])cc1 ZINC000071508018 167303234 /nfs/dbraw/zinc/30/32/34/167303234.db2.gz KQGAQWRVFXQKQG-UHFFFAOYSA-N -1 0 200.259 2.054 50 0 BEAARM CC(C)[C@@H](C(=O)[O-])n1cnc2ccccc21 ZINC000010382584 167346951 /nfs/dbraw/zinc/34/69/51/167346951.db2.gz WOKGHWATADTGIN-NSHDSACASA-N -1 0 218.256 2.318 50 0 BEAARM CC(C)n1cc(C(=O)[O-])c(=O)c2cc(F)ccc21 ZINC000020131709 167745312 /nfs/dbraw/zinc/74/53/12/167745312.db2.gz DXGLTOQMXYPAQF-UHFFFAOYSA-N -1 0 249.241 2.420 50 0 BEAARM CC1=C(C(=O)[O-])C2(CCCCCC2)OC1=O ZINC000005185202 168080873 /nfs/dbraw/zinc/08/08/73/168080873.db2.gz MKHNKIARVHYXPY-UHFFFAOYSA-N -1 0 224.256 2.037 50 0 BEAARM CC1=CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000164860016 168108955 /nfs/dbraw/zinc/10/89/55/168108955.db2.gz QGSWKZLDAWYLNB-UHFFFAOYSA-N -1 0 245.278 2.177 50 0 BEAARM CCC(=O)Nc1c(Cl)cccc1C(=O)[O-] ZINC000016622526 168241044 /nfs/dbraw/zinc/24/10/44/168241044.db2.gz LFFKUUKAFTYLBZ-UHFFFAOYSA-N -1 0 227.647 2.387 50 0 BEAARM CCC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000035347382 168296030 /nfs/dbraw/zinc/29/60/30/168296030.db2.gz XULIAHZPSFGBDG-UHFFFAOYSA-N -1 0 235.283 2.303 50 0 BEAARM CCNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000070007076 170178240 /nfs/dbraw/zinc/17/82/40/170178240.db2.gz HENYJPZFOUAYFF-UHFFFAOYSA-N -1 0 237.284 2.130 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(F)cc1C ZINC000084193723 170197037 /nfs/dbraw/zinc/19/70/37/170197037.db2.gz YRDJNVGINCPBAA-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM CCSc1cc(C(=O)[O-])c(OC)cc1N ZINC000002540787 170653729 /nfs/dbraw/zinc/65/37/29/170653729.db2.gz BVCKAIGDWABZIE-UHFFFAOYSA-N -1 0 227.285 2.088 50 0 in-vitro BEAARM CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000060007089 171005269 /nfs/dbraw/zinc/00/52/69/171005269.db2.gz XLDQNKSCLODJJQ-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)[O-] ZINC000095960018 171162863 /nfs/dbraw/zinc/16/28/63/171162863.db2.gz JHCXSPBNBNGBOI-CYBMUJFWSA-N -1 0 233.311 2.471 50 0 BEAARM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000143588144 171591060 /nfs/dbraw/zinc/59/10/60/171591060.db2.gz TWBGRXXJTOHCNT-BBBLOLIVSA-N -1 0 200.278 2.445 50 0 BEAARM CCc1nc2ccc(Cl)cn2c1C(=O)[O-] ZINC000036258908 172012483 /nfs/dbraw/zinc/01/24/83/172012483.db2.gz AACCTXYABLUXPH-UHFFFAOYSA-N -1 0 224.647 2.248 50 0 BEAARM COCCCNc1ccc(C(=O)[O-])c(C)c1 ZINC000072406626 174251730 /nfs/dbraw/zinc/25/17/30/174251730.db2.gz XYTMISPHJKGQML-UHFFFAOYSA-N -1 0 223.272 2.142 50 0 BEAARM COc1cc(OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000085476716 175006554 /nfs/dbraw/zinc/00/65/54/175006554.db2.gz WKKAZBSQUVIUFA-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1cc2c(cc1/C=C/C(=O)[O-])O[C@H](C)C2 ZINC000004204633 175020131 /nfs/dbraw/zinc/02/01/31/175020131.db2.gz PHKOSLCCKOCYJP-MPJRPATESA-N -1 0 234.251 2.116 50 0 BEAARM COc1ccc(/C=C(\C)C(=O)[O-])cc1OC ZINC000004778110 175046124 /nfs/dbraw/zinc/04/61/24/175046124.db2.gz HWFGFNBLIMJWLY-SOFGYWHQSA-N -1 0 222.240 2.192 50 0 BEAARM COc1ccc(C(=O)CCCC(=O)[O-])c(C)c1 ZINC000039240377 175053851 /nfs/dbraw/zinc/05/38/51/175053851.db2.gz RBKGOJLPYWANPN-UHFFFAOYSA-N -1 0 236.267 2.441 50 0 BEAARM COc1ccc(C(F)(F)F)cc1CC(=O)[O-] ZINC000038529586 175070079 /nfs/dbraw/zinc/07/00/79/175070079.db2.gz XWXOIMXTBVKFDL-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM COc1ccc(CC(=O)[O-])c(C(F)(F)F)c1 ZINC000038529807 175087368 /nfs/dbraw/zinc/08/73/68/175087368.db2.gz ZAOJHEOIUQVOEU-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM COc1ccc(OC(F)(F)F)c(C(=O)[O-])c1 ZINC000253393499 175162733 /nfs/dbraw/zinc/16/27/33/175162733.db2.gz DHAFHABDEMTSLQ-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1ccc2c(c1)CC[C@@H](CC(=O)[O-])C2 ZINC000064034243 175209834 /nfs/dbraw/zinc/20/98/34/175209834.db2.gz HFCQYKCGYMWUAH-SECBINFHSA-N -1 0 220.268 2.275 50 0 BEAARM COc1ccc2c(ccn2CCC(=O)[O-])c1 ZINC000008993007 175222593 /nfs/dbraw/zinc/22/25/93/175222593.db2.gz MJKNDCIJEUZJFE-UHFFFAOYSA-N -1 0 219.240 2.125 50 0 BEAARM COc1ccc2oc(C)c(C(=O)[O-])c2c1 ZINC000000036691 175231403 /nfs/dbraw/zinc/23/14/03/175231403.db2.gz RSHSSGDUMLTSEG-UHFFFAOYSA-N -1 0 206.197 2.448 50 0 biogenic BEAARM COc1cccc(C(=O)[O-])c1C(F)(F)F ZINC000091252098 175246642 /nfs/dbraw/zinc/24/66/42/175246642.db2.gz UOBKAUNYVVOXMY-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1cccc(CSCC(=O)[O-])c1 ZINC000002506117 175270916 /nfs/dbraw/zinc/27/09/16/175270916.db2.gz QMFCNAYBAHKUKR-UHFFFAOYSA-N -1 0 212.270 2.013 50 0 in-vitro BEAARM COc1cccc2c(C)cc3n[n-]c(=S)n3c12 ZINC000012505976 175299279 /nfs/dbraw/zinc/29/92/79/175299279.db2.gz WOJBZTLULQBXOE-UHFFFAOYSA-N -1 0 245.307 2.488 50 0 BEAARM COc1ccccc1-c1cc(C(=O)[O-])on1 ZINC000020264933 175308150 /nfs/dbraw/zinc/30/81/50/175308150.db2.gz ZDUJICWJBDOFNJ-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccccc1-c1nc(CC(=O)[O-])c(C)o1 ZINC000049632726 175310865 /nfs/dbraw/zinc/31/08/65/175310865.db2.gz MDRFKVQZFBITEE-UHFFFAOYSA-N -1 0 247.250 2.286 50 0 BEAARM COc1ccccc1C(=O)CCCC(=O)[O-] ZINC000002243628 175316947 /nfs/dbraw/zinc/31/69/47/175316947.db2.gz PXICOZHKAHFZSB-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM COc1ccccc1C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000002574411 175318822 /nfs/dbraw/zinc/31/88/22/175318822.db2.gz MEKBVCIQBYRCMJ-ZJUUUORDSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cncc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000085210178 175382663 /nfs/dbraw/zinc/38/26/63/175382663.db2.gz YFAPUFRJGDNTOE-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1nc2ccccc2cc1/C=C/C(=O)[O-] ZINC000003335156 175396883 /nfs/dbraw/zinc/39/68/83/175396883.db2.gz FYWLPUONLPZDPD-VOTSOKGWSA-N -1 0 229.235 2.341 50 0 BEAARM C[C@@H](Oc1ccc(C=O)cc1Cl)C(=O)[O-] ZINC000002546063 176003921 /nfs/dbraw/zinc/00/39/21/176003921.db2.gz SAVVSCSPGUVHDO-ZCFIWIBFSA-N -1 0 228.631 2.004 50 0 BEAARM C[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000035347419 176095692 /nfs/dbraw/zinc/09/56/92/176095692.db2.gz LIABTWRCSCWKGU-SNVBAGLBSA-N -1 0 247.294 2.257 50 0 BEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000000155412 177023209 /nfs/dbraw/zinc/02/32/09/177023209.db2.gz YNTJKQDWYXUTLZ-LURJTMIESA-N -1 0 200.621 2.192 50 0 BEAARM C[C@H](Oc1cccc2cccnc21)C(=O)[O-] ZINC000000267252 177024148 /nfs/dbraw/zinc/02/41/48/177024148.db2.gz KJQWSJOVJCOZBD-QMMMGPOBSA-N -1 0 217.224 2.087 50 0 BEAARM Cc1c(Cl)nc(Cl)cc1C(=O)[O-] ZINC000098091101 177570803 /nfs/dbraw/zinc/57/08/03/177570803.db2.gz TWYNDQHXDSFICB-UHFFFAOYSA-N -1 0 206.028 2.395 50 0 BEAARM Cc1c(Cl)cc([C@@H](O)C(=O)[O-])cc1Cl ZINC000263624573 177596080 /nfs/dbraw/zinc/59/60/80/177596080.db2.gz RRUOCKRCPOESDE-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM O=C([O-])c1cccc(-c2ccnc3[nH]ccc32)n1 ZINC000534593095 323154619 /nfs/dbraw/zinc/15/46/19/323154619.db2.gz FOEDDBMZXFZWEQ-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC[C@@H](CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000147469808 488026525 /nfs/dbraw/zinc/02/65/25/488026525.db2.gz BDRCIETWVHQBHF-QMMMGPOBSA-N -1 0 231.292 2.012 50 0 BEAARM CC(C)c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000062136960 487496157 /nfs/dbraw/zinc/49/61/57/487496157.db2.gz RKFFMBLKMOKZJA-UHFFFAOYSA-N -1 0 204.229 2.385 50 0 BEAARM CC(C)(C)c1[nH]nc(C(=O)[O-])c1Cl ZINC000061441888 491118496 /nfs/dbraw/zinc/11/84/96/491118496.db2.gz QYOXWPPERBXICA-UHFFFAOYSA-N -1 0 202.641 2.059 50 0 BEAARM O=C([O-])c1cccc(F)c1Br ZINC000001732026 518201578 /nfs/dbraw/zinc/20/15/78/518201578.db2.gz KQRCBMPPEPNNDS-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM CC(=O)c1ccc([O-])cc1Br ZINC000002586012 518390814 /nfs/dbraw/zinc/39/08/14/518390814.db2.gz UHZMXDQVZPWRQD-UHFFFAOYSA-N -1 0 215.046 2.357 50 0 BEAARM CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170279836 534694950 /nfs/dbraw/zinc/69/49/50/534694950.db2.gz SHCJFSRKHQSVQS-UHFFFAOYSA-N -1 0 203.600 2.143 50 0 BEAARM COC1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000020267289 536755519 /nfs/dbraw/zinc/75/55/19/536755519.db2.gz DJGCMZGIXJHKQP-UHFFFAOYSA-N -1 0 235.283 2.000 50 0 BEAARM CCc1cc(C(=O)[O-])c([S@](=O)CC)s1 ZINC000022015043 643327623 /nfs/dbraw/zinc/32/76/23/643327623.db2.gz ZWRBVDWVNPXOLL-AWEZNQCLSA-N -1 0 232.326 2.136 50 0 BEAARM C[C@@H]1CCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000086678880 644163150 /nfs/dbraw/zinc/16/31/50/644163150.db2.gz IDFDGFSMIICWGS-PELKAZGASA-N -1 0 243.303 2.155 50 0 BEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)CC1CCCC1 ZINC000037870839 712777667 /nfs/dbraw/zinc/77/76/67/712777667.db2.gz VEAGQAUAYRGLQJ-SNVBAGLBSA-N -1 0 241.331 2.278 50 0 BEAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[O-] ZINC000083893192 1166128140 /nfs/dbraw/zinc/12/81/40/1166128140.db2.gz IDYZIFXJZRDEHW-UHFFFAOYSA-N -1 0 220.247 2.393 50 0 BEAARM Cc1cc(Cl)c([C@@H](O)C(=O)[O-])cc1Cl ZINC000263624821 178060749 /nfs/dbraw/zinc/06/07/49/178060749.db2.gz UMVFSXSKMCUBLD-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc(F)cc2c(O)c(C(=O)[O-])cnc12 ZINC000035731169 178079736 /nfs/dbraw/zinc/07/97/36/178079736.db2.gz VFSSZLNICXHDGH-UHFFFAOYSA-N -1 0 221.187 2.086 50 0 BEAARM O=C([O-])CCCc1ccc2c(c1)OCCCO2 ZINC000020217142 398195088 /nfs/dbraw/zinc/19/50/88/398195088.db2.gz IIHOORNILCTRKW-UHFFFAOYSA-N -1 0 236.267 2.255 50 0 BEAARM Cc1cc(OCc2ccc(C(=O)[O-])o2)ccc1N ZINC000047474190 178212369 /nfs/dbraw/zinc/21/23/69/178212369.db2.gz OQALZLZIPQEPJE-UHFFFAOYSA-N -1 0 247.250 2.447 50 0 BEAARM C/C=C(/C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000170592300 361762690 /nfs/dbraw/zinc/76/26/90/361762690.db2.gz NZXXWGVELXPDNC-KMKOMSMNSA-N -1 0 247.294 2.010 50 0 BEAARM Cc1cc2ncn(CCC(=O)[O-])c2cc1C ZINC000000418161 178306262 /nfs/dbraw/zinc/30/62/62/178306262.db2.gz FJZAJAWTANAPQO-UHFFFAOYSA-N -1 0 218.256 2.128 50 0 BEAARM Cc1ccc(-c2cc(CC(=O)[O-])no2)cc1 ZINC000020270412 178320212 /nfs/dbraw/zinc/32/02/12/178320212.db2.gz DDJMMKMFDDDZFJ-UHFFFAOYSA-N -1 0 217.224 2.277 50 0 BEAARM Cc1ccc(-c2ccc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000034925871 178323112 /nfs/dbraw/zinc/32/31/12/178323112.db2.gz QNBFRRBMCSIZER-UHFFFAOYSA-N -1 0 229.235 2.049 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C)c(C)c1 ZINC000038478133 178349928 /nfs/dbraw/zinc/34/99/28/178349928.db2.gz QWIJWAJWBJVKQG-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000021952510 178387146 /nfs/dbraw/zinc/38/71/46/178387146.db2.gz BZXDLYJKTZHAKP-LBPRGKRZSA-N -1 0 247.294 2.074 50 0 BEAARM O=C([O-])[C@H](Cc1ccccc1)n1cccc1 ZINC000000112459 342675045 /nfs/dbraw/zinc/67/50/45/342675045.db2.gz SSUGRWDGXQIOME-LBPRGKRZSA-N -1 0 215.252 2.357 50 0 biogenic,in-vitro BEAARM O=C([O-])c1ccccc1C(=O)Nc1nccs1 ZINC000000143077 342677073 /nfs/dbraw/zinc/67/70/73/342677073.db2.gz IVSBFRVZTXHJLR-UHFFFAOYSA-N -1 0 248.263 2.094 50 0 BEAARM O=C([O-])c1cc(Br)cnc1Cl ZINC000000166382 342678757 /nfs/dbraw/zinc/67/87/57/342678757.db2.gz UKNYSJCAGUXDOQ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000000168049 342679016 /nfs/dbraw/zinc/67/90/16/342679016.db2.gz VYFGHUAUIIFACL-LBPRGKRZSA-N -1 0 214.220 2.228 50 0 BEAARM C[C@@H](C(=O)[O-])n1cc(C=O)c2ccccc21 ZINC000000254483 342681449 /nfs/dbraw/zinc/68/14/49/342681449.db2.gz ZINMANYXDFLPES-QMMMGPOBSA-N -1 0 217.224 2.099 50 0 BEAARM O=C([O-])[C@H]1CCC(=O)C[C@@H]1Cc1ccccc1 ZINC000000267950 342681748 /nfs/dbraw/zinc/68/17/48/342681748.db2.gz LCVCSJWXLZGDMI-AAEUAGOBSA-N -1 0 232.279 2.299 50 0 BEAARM C[C@@H](C[C@H](C)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000000345920 342684472 /nfs/dbraw/zinc/68/44/72/342684472.db2.gz XPYGARPDBLWJQB-UWVGGRQHSA-N -1 0 235.283 2.372 50 0 BEAARM Cc1ccc(C)c(C(=O)CCC(=O)[O-])c1 ZINC000000073731 342672672 /nfs/dbraw/zinc/67/26/72/342672672.db2.gz XWTZKGVORJIFAF-UHFFFAOYSA-N -1 0 206.241 2.351 50 0 BEAARM COC(=O)N=c1[n-]nc(-c2cccs2)s1 ZINC000000620339 342690972 /nfs/dbraw/zinc/69/09/72/342690972.db2.gz UUJXKTANDIUCNX-UHFFFAOYSA-N -1 0 241.297 2.445 50 0 BEAARM O=C([O-])c1cc(-c2cc(F)cc(F)c2)on1 ZINC000001442957 342701246 /nfs/dbraw/zinc/70/12/46/342701246.db2.gz LBDHRKQMMXWKFA-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000001681767 342708842 /nfs/dbraw/zinc/70/88/42/342708842.db2.gz OYCGDTUIPZFBRJ-JHJVBQTASA-N -1 0 234.295 2.406 50 0 BEAARM O=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000001714854 342710816 /nfs/dbraw/zinc/71/08/16/342710816.db2.gz GZIVKNLUMBURSC-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM [NH3+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004227574 342744936 /nfs/dbraw/zinc/74/49/36/342744936.db2.gz NHRIRGQUPAYPDT-SSDOTTSWSA-N -1 0 220.055 2.078 50 0 BEAARM O=C([O-])c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000004244816 342745339 /nfs/dbraw/zinc/74/53/39/342745339.db2.gz XJZLQBGNAQXXGE-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM O=C([O-])c1cc2nccc(-c3cccs3)n2n1 ZINC000002537106 342723401 /nfs/dbraw/zinc/72/34/01/342723401.db2.gz LRZOJAAEMGPNBK-UHFFFAOYSA-N -1 0 245.263 2.156 50 0 BEAARM CC1(C)S[C@H](c2cccs2)N[C@H]1C(=O)[O-] ZINC000002549964 342723831 /nfs/dbraw/zinc/72/38/31/342723831.db2.gz CNPAHLACCHNFLI-JGVFFNPUSA-N -1 0 243.353 2.315 50 0 BEAARM CCOc1cc(C=O)cc(Cl)c1[O-] ZINC000002573402 342725054 /nfs/dbraw/zinc/72/50/54/342725054.db2.gz HXWPHQVLVFUYLR-UHFFFAOYSA-N -1 0 200.621 2.257 50 0 BEAARM CC(C)(C)OC(=O)NCCCCCC(=O)[O-] ZINC000002575481 342725284 /nfs/dbraw/zinc/72/52/84/342725284.db2.gz RUFDYIJGNPVTAY-UHFFFAOYSA-N -1 0 231.292 2.156 50 0 in-vitro BEAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000003327262 342732641 /nfs/dbraw/zinc/73/26/41/342732641.db2.gz CJGCOACZBXRIAE-UHFFFAOYSA-N -1 0 221.256 2.176 50 0 BEAARM Cc1cc(CC(=O)[O-])ccc1Br ZINC000003750849 342737282 /nfs/dbraw/zinc/73/72/82/342737282.db2.gz LHFFNLRLDVODNC-UHFFFAOYSA-N -1 0 229.073 2.385 50 0 BEAARM O=C([O-])c1ccc(Oc2cccnc2)o1 ZINC000003880883 342738636 /nfs/dbraw/zinc/73/86/36/342738636.db2.gz ZTYMSWYWSCYFAF-UHFFFAOYSA-N -1 0 205.169 2.165 50 0 BEAARM O=C([O-])C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000005569597 342766259 /nfs/dbraw/zinc/76/62/59/342766259.db2.gz SCBGJZIOPNAEMH-UHFFFAOYSA-N -1 0 244.246 2.314 50 0 BEAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCC3 ZINC000005865531 342770802 /nfs/dbraw/zinc/77/08/02/342770802.db2.gz HTKITKAJVLQHNT-UHFFFAOYSA-N -1 0 201.225 2.355 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1ccccc1 ZINC000004690888 342750690 /nfs/dbraw/zinc/75/06/90/342750690.db2.gz IFZUSRLWTZPENL-GHMZBOCLSA-N -1 0 249.310 2.365 50 0 BEAARM CCCC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000006810547 342783658 /nfs/dbraw/zinc/78/36/58/342783658.db2.gz PLTCLOZYLFQMLA-UHFFFAOYSA-N -1 0 232.235 2.481 50 0 biogenic BEAARM CC1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 ZINC000008743667 342804408 /nfs/dbraw/zinc/80/44/08/342804408.db2.gz NINHCXRMCGYAIJ-UHFFFAOYSA-N -1 0 226.279 2.271 50 0 BEAARM Cc1c(C(=O)[O-])n[nH]c1-c1ccccc1 ZINC000008995682 342806879 /nfs/dbraw/zinc/80/68/79/342806879.db2.gz SGRSFFPRUYGFGN-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM O=C([O-])c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000011730760 342842823 /nfs/dbraw/zinc/84/28/23/342842823.db2.gz KGOXEOVTUNSMPR-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM O=C([O-])c1ccc(CSc2ncccn2)o1 ZINC000011851389 342843763 /nfs/dbraw/zinc/84/37/63/342843763.db2.gz BQGUWPXIDXWYJP-UHFFFAOYSA-N -1 0 236.252 2.060 50 0 BEAARM O=C([O-])[C@H](Cc1ccccn1)c1ccccc1 ZINC000011570613 342841581 /nfs/dbraw/zinc/84/15/81/342841581.db2.gz NFTPZFXXVNZGAD-CYBMUJFWSA-N -1 0 227.263 2.493 50 0 BEAARM COC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000042417421 361999075 /nfs/dbraw/zinc/99/90/75/361999075.db2.gz VSFSPZWIWBTWIT-UHFFFAOYSA-N -1 0 229.619 2.217 50 0 BEAARM C[C@@H](CSC(=O)c1ccccc1)C(=O)[O-] ZINC000012336859 342849301 /nfs/dbraw/zinc/84/93/01/342849301.db2.gz BCAYPPFBOJCRPN-QMMMGPOBSA-N -1 0 224.281 2.281 50 0 BEAARM CC(C)c1noc2ncc(C(=O)[O-])cc21 ZINC000012505103 342852623 /nfs/dbraw/zinc/85/26/23/342852623.db2.gz VFFCUAWIPNDEAX-UHFFFAOYSA-N -1 0 206.201 2.044 50 0 BEAARM CC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013944177 342874534 /nfs/dbraw/zinc/87/45/34/342874534.db2.gz FVZDXTRSJQNAHV-MRVPVSSYSA-N -1 0 221.256 2.369 50 0 BEAARM O=C([O-])c1cccc2c1cnn2[C@H]1CCCCO1 ZINC000015444602 342896603 /nfs/dbraw/zinc/89/66/03/342896603.db2.gz SFBZBDJWQOVUGI-GFCCVEGCSA-N -1 0 246.266 2.434 50 0 BEAARM Cc1nc2[n-]c(C3CCCCC3)nn2c(=O)c1C ZINC000017057526 342920171 /nfs/dbraw/zinc/92/01/71/342920171.db2.gz SVBOMWUCYASMPR-UHFFFAOYSA-N -1 0 246.314 2.082 50 0 BEAARM O=C([O-])c1ccc(OC2CCCCC2)nc1 ZINC000019257213 342944695 /nfs/dbraw/zinc/94/46/95/342944695.db2.gz SYZZLPCJWMJIAI-UHFFFAOYSA-N -1 0 221.256 2.491 50 0 BEAARM CCCCN(C)c1ncccc1C(=O)[O-] ZINC000019844928 342959799 /nfs/dbraw/zinc/95/97/99/342959799.db2.gz RUGVEAAWMJLLIV-UHFFFAOYSA-N -1 0 208.261 2.016 50 0 BEAARM O=C([O-])c1cnc(OCC2CC2)c(Cl)c1 ZINC000019870758 342960494 /nfs/dbraw/zinc/96/04/94/342960494.db2.gz BVZPQIQIXDKNRK-UHFFFAOYSA-N -1 0 227.647 2.222 50 0 BEAARM COc1c(Cl)cc(C(=O)[O-])cc1NC(C)=O ZINC000020136407 342971443 /nfs/dbraw/zinc/97/14/43/342971443.db2.gz PCSNRCGHCJREQD-UHFFFAOYSA-N -1 0 243.646 2.005 50 0 BEAARM O=C([O-])c1cccc(C(F)(F)F)c1O ZINC000020593733 342991804 /nfs/dbraw/zinc/99/18/04/342991804.db2.gz OLLHFGFVHWLQJO-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM O=C([O-])[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC000021966872 343031510 /nfs/dbraw/zinc/03/15/10/343031510.db2.gz ZOYPIEHDMRFZFV-LLVKDONJSA-N -1 0 239.315 2.032 50 0 BEAARM CC(C)(C)OC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000021985299 343031925 /nfs/dbraw/zinc/03/19/25/343031925.db2.gz KOKMNLWZMSIVQZ-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM O=C([O-])C1([C@@H]2CCNc3ccccc32)CC1 ZINC000584880385 343080736 /nfs/dbraw/zinc/08/07/36/343080736.db2.gz ZNIUWWYATCCYSL-SNVBAGLBSA-N -1 0 217.268 2.451 50 0 BEAARM Cc1nc(C2CCC2)sc1CC(=O)[O-] ZINC000083120175 343075082 /nfs/dbraw/zinc/07/50/82/343075082.db2.gz OVLIMIZSBAJETR-UHFFFAOYSA-N -1 0 211.286 2.346 50 0 BEAARM CC(C)(C)C(=O)Oc1ccccc1C(=O)[O-] ZINC000026441849 343105290 /nfs/dbraw/zinc/10/52/90/343105290.db2.gz OPARZKXAKOJBQN-UHFFFAOYSA-N -1 0 222.240 2.336 50 0 BEAARM CCCn1cc(C(=O)[O-])c(=O)c2ccccc21 ZINC000026507982 343106073 /nfs/dbraw/zinc/10/60/73/343106073.db2.gz YUXVAHFIXDDTAF-UHFFFAOYSA-N -1 0 231.251 2.110 50 0 BEAARM Cc1cccc(-c2cc(C(=O)[O-])no2)c1 ZINC000026547634 343106907 /nfs/dbraw/zinc/10/69/07/343106907.db2.gz SSWVSFRKJMROOS-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM CSc1cc(C(=O)[O-])ccc1NC(C)=O ZINC000032938002 343244493 /nfs/dbraw/zinc/24/44/93/343244493.db2.gz JIIDNHJBFBCZIB-UHFFFAOYSA-N -1 0 225.269 2.065 50 0 BEAARM CCCCOc1ccc(OCC(=O)[O-])cc1 ZINC000033506409 343255471 /nfs/dbraw/zinc/25/54/71/343255471.db2.gz CKROMSAARMUYAQ-UHFFFAOYSA-N -1 0 224.256 2.329 50 0 BEAARM Cc1cnc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC000000210984 343269550 /nfs/dbraw/zinc/26/95/50/343269550.db2.gz AKVYHWAHRVPIGB-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM O=C([O-])c1cc(Br)c(F)cc1F ZINC000035570465 343297987 /nfs/dbraw/zinc/29/79/87/343297987.db2.gz BLSMDXUAEFVYID-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])C1(c2ccc(F)cc2)CCC(=O)CC1 ZINC000035630112 343300978 /nfs/dbraw/zinc/30/09/78/343300978.db2.gz LTNKWPQQEPDIFC-UHFFFAOYSA-N -1 0 236.242 2.291 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1cccc(F)c1 ZINC000036016562 343306410 /nfs/dbraw/zinc/30/64/10/343306410.db2.gz NMYPNJABHZPXDL-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM O=c1cc([O-])c2ccc(Br)cc2o1 ZINC000038890358 343380159 /nfs/dbraw/zinc/38/01/59/343380159.db2.gz UJWIUPBUKQLTTJ-UHFFFAOYSA-N -1 0 241.040 2.261 50 0 BEAARM Cn1cc(-c2ccccc2)cc1C(=O)[O-] ZINC000038478327 343375489 /nfs/dbraw/zinc/37/54/89/343375489.db2.gz ZCTZBXTZTAQFRU-UHFFFAOYSA-N -1 0 201.225 2.390 50 0 BEAARM COc1cc(C(F)(F)F)ccc1CC(=O)[O-] ZINC000038530006 343376351 /nfs/dbraw/zinc/37/63/51/343376351.db2.gz GTVKLECZJRZMQO-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM O=C([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000037400816 343344885 /nfs/dbraw/zinc/34/48/85/343344885.db2.gz KMNBJTKSHJADAJ-UHFFFAOYSA-N -1 0 212.155 2.199 50 0 BEAARM CC1(C)CCc2cccc(C(=O)[O-])c2O1 ZINC000039382219 343389467 /nfs/dbraw/zinc/38/94/67/343389467.db2.gz CNNKZSZUCRDOIA-UHFFFAOYSA-N -1 0 206.241 2.488 50 0 BEAARM O=C([O-])c1cccc(OCc2ccccc2)n1 ZINC000040447893 343403734 /nfs/dbraw/zinc/40/37/34/343403734.db2.gz VCQAXRMOPNGIIB-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM CC(C)(C)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000040495108 343405784 /nfs/dbraw/zinc/40/57/84/343405784.db2.gz SOIKFRVPSFTGTC-UHFFFAOYSA-N -1 0 235.283 2.161 50 0 BEAARM CC(C)n1ncc(C(=O)[O-])c1C(F)(F)F ZINC000040926108 343411223 /nfs/dbraw/zinc/41/12/23/343411223.db2.gz CIPPUTFULIROLY-UHFFFAOYSA-N -1 0 222.166 2.181 50 0 BEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)c2ccccc2)C1 ZINC000043878944 343486302 /nfs/dbraw/zinc/48/63/02/343486302.db2.gz BXPBLRRKIQAMIP-WDEREUQCSA-N -1 0 218.252 2.370 50 0 BEAARM N[C@@H](c1ccc(Cl)cc1)C(F)(F)C(=O)[O-] ZINC000044139085 343493077 /nfs/dbraw/zinc/49/30/77/343493077.db2.gz SWIZFTGCNZQKHU-ZETCQYMHSA-N -1 0 235.617 2.060 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)c1ccc(N(C)C)cc1 ZINC000043214233 343465857 /nfs/dbraw/zinc/46/58/57/343465857.db2.gz UVNQRRQNYLYJGE-SNVBAGLBSA-N -1 0 249.310 2.436 50 0 BEAARM O=C([O-])c1ccnc2[nH]cc(Br)c21 ZINC000044712584 343512777 /nfs/dbraw/zinc/51/27/77/343512777.db2.gz DLHZKMNKZGVAEW-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM CC(C)(C)OC(=O)NCC(C)(C)CC(=O)[O-] ZINC000044831651 343516738 /nfs/dbraw/zinc/51/67/38/343516738.db2.gz MFKIFVQJZNMZJB-UHFFFAOYSA-N -1 0 231.292 2.012 50 0 BEAARM CC[C@@H](C(=O)[O-])n1ncc2ccccc21 ZINC000045796200 343534556 /nfs/dbraw/zinc/53/45/56/343534556.db2.gz YZAINXKXIMFRGZ-VIFPVBQESA-N -1 0 204.229 2.072 50 0 BEAARM Cc1cccc(-c2ncc(C(=O)[O-])cn2)c1 ZINC000008730981 343563423 /nfs/dbraw/zinc/56/34/23/343563423.db2.gz QMWFKTBXZPOLRW-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM C[C@H]1CCC(=O)C(=C([O-])c2ccco2)C1 ZINC000043651459 343696587 /nfs/dbraw/zinc/69/65/87/343696587.db2.gz ANGMEORCXOCVFA-IUCAKERBSA-N -1 0 206.241 2.468 50 0 BEAARM CCC[C@@H](CC(=O)[O-])NC(=O)/C=C(\C)C1CC1 ZINC000585139818 344169703 /nfs/dbraw/zinc/16/97/03/344169703.db2.gz FSYMCYCXWUJUSN-DJYGCBNOSA-N -1 0 239.315 2.102 50 0 BEAARM CC(C)(C)c1onc(-c2c[nH]cn2)c1C(=O)[O-] ZINC000675057305 537850176 /nfs/dbraw/zinc/85/01/76/537850176.db2.gz ACHCHPDVSSZBQF-UHFFFAOYSA-N -1 0 235.243 2.060 50 0 BEAARM O=c1nc(-c2ccco2)[n-]c2ccsc21 ZINC000048606367 344588821 /nfs/dbraw/zinc/58/88/21/344588821.db2.gz FISSWGWUQHOQNV-UHFFFAOYSA-N -1 0 218.237 2.245 50 0 BEAARM Cc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000260708 178724800 /nfs/dbraw/zinc/72/48/00/178724800.db2.gz YRPDUMZWXRBNJE-UHFFFAOYSA-N -1 0 221.256 2.188 50 0 BEAARM CCc1cc(=O)[nH]c(SCc2ccccn2)n1 ZINC000005154973 344980499 /nfs/dbraw/zinc/98/04/99/344980499.db2.gz CPHMCZOVXRCTDU-UHFFFAOYSA-N -1 0 247.323 2.020 50 0 BEAARM Cc1ccc([C@H](O)CCC(=O)[O-])c(C)c1 ZINC000004993475 178911594 /nfs/dbraw/zinc/91/15/94/178911594.db2.gz FKPRMHFIKWTZCB-LLVKDONJSA-N -1 0 208.257 2.202 50 0 BEAARM CCCCCCSc1ncc(OC)c(=O)[n-]1 ZINC000003130159 346556603 /nfs/dbraw/zinc/55/66/03/346556603.db2.gz QXXVRBOLOLBALE-UHFFFAOYSA-N -1 0 242.344 2.451 50 0 BEAARM Cc1cccc(O[C@H](C(=O)[O-])C(C)C)c1 ZINC000002555579 179175086 /nfs/dbraw/zinc/17/50/86/179175086.db2.gz VNGYPVYWLSMETA-NSHDSACASA-N -1 0 208.257 2.483 50 0 BEAARM Cc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000006849178 179235728 /nfs/dbraw/zinc/23/57/28/179235728.db2.gz BHLFDODDOGJUGN-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM Cc1ccccc1NC(=O)CCCC(=O)[O-] ZINC000000249023 179297148 /nfs/dbraw/zinc/29/71/48/179297148.db2.gz FDGLRKQOJAIJCL-UHFFFAOYSA-N -1 0 221.256 2.188 50 0 BEAARM Cc1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000003138847 179306194 /nfs/dbraw/zinc/30/61/94/179306194.db2.gz NRKGEKKXOAEQQN-UHFFFAOYSA-N -1 0 239.218 2.257 50 0 BEAARM Cc1cccn2c1nc(C(F)(F)F)c2C(=O)[O-] ZINC000004025227 179354585 /nfs/dbraw/zinc/35/45/85/179354585.db2.gz MBAKSFFHEPDPHB-UHFFFAOYSA-N -1 0 244.172 2.360 50 0 BEAARM Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000009280216 187413958 /nfs/dbraw/zinc/41/39/58/187413958.db2.gz JNOADCITUCNMIN-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000006306478 190976770 /nfs/dbraw/zinc/97/67/70/190976770.db2.gz MJOSQGRPLTUAHR-NSHDSACASA-N -1 0 241.331 2.182 50 0 BEAARM CSc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000068577310 191002130 /nfs/dbraw/zinc/00/21/30/191002130.db2.gz MEWMSMRFZJJBNA-ZETCQYMHSA-N -1 0 212.270 2.260 50 0 BEAARM Cc1nc(NCC(C)C)sc1C(=O)[O-] ZINC000008024690 180016619 /nfs/dbraw/zinc/01/66/19/180016619.db2.gz FTGYBWDVNZRZDE-UHFFFAOYSA-N -1 0 214.290 2.218 50 0 BEAARM Cc1nc(NCc2ccco2)sc1C(=O)[O-] ZINC000020156529 180020970 /nfs/dbraw/zinc/02/09/70/180020970.db2.gz VBHZJZGHCSXYIT-UHFFFAOYSA-N -1 0 238.268 2.355 50 0 BEAARM CCCCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000057326583 350125058 /nfs/dbraw/zinc/12/50/58/350125058.db2.gz JKUAOJBBXUEIKA-UHFFFAOYSA-N -1 0 238.312 2.137 50 0 BEAARM O=C([O-])c1cccc(/C=C\c2ccnnc2)c1 ZINC000221885442 350224734 /nfs/dbraw/zinc/22/47/34/350224734.db2.gz VWLNEJJTQJFYGG-PLNGDYQASA-N -1 0 226.235 2.345 50 0 BEAARM Cc1nn2c(c1-c1ccccc1)N=C([O-])CC2=O ZINC000001031584 180395382 /nfs/dbraw/zinc/39/53/82/180395382.db2.gz RMPNQIZQQJXZGW-UHFFFAOYSA-N -1 0 241.250 2.116 50 0 BEAARM Cc1oc2c(c1CC(=O)[O-])C(=O)CC(C)(C)C2 ZINC000000089632 180532627 /nfs/dbraw/zinc/53/26/27/180532627.db2.gz QXTOASVQCPLPEK-UHFFFAOYSA-N -1 0 236.267 2.370 50 0 biogenic BEAARM C/C(=C/c1ccccc1)[C@H](C(=O)[O-])C(N)=S ZINC000211051672 350982437 /nfs/dbraw/zinc/98/24/37/350982437.db2.gz YPRDDBBOUCUUNA-DMEOUFDRSA-N -1 0 235.308 2.077 50 0 BEAARM O=C([O-])c1cc(Br)nc(C2CC2)c1 ZINC000137045612 351275162 /nfs/dbraw/zinc/27/51/62/351275162.db2.gz HDYDGWFRESWWTG-UHFFFAOYSA-N -1 0 242.072 2.420 50 0 BEAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccon1 ZINC000005955740 351341212 /nfs/dbraw/zinc/34/12/12/351341212.db2.gz PQDHZNKCBRSBHH-UHFFFAOYSA-N -1 0 243.218 2.462 50 0 biogenic BEAARM CC(C)CO[C@H](C(=O)[O-])c1ccccc1 ZINC000019435405 187487284 /nfs/dbraw/zinc/48/72/84/187487284.db2.gz SMIQLHGQFUBFOC-NSHDSACASA-N -1 0 208.257 2.485 50 0 BEAARM CO[C@@]1(c2ccccc2)C[C@]12C[C@@]2(C)C(=O)[O-] ZINC000004025345 352588206 /nfs/dbraw/zinc/58/82/06/352588206.db2.gz NEWSMEZTKJNJKD-MELADBBJSA-N -1 0 232.279 2.413 50 0 biogenic BEAARM CCc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000011566355 187760391 /nfs/dbraw/zinc/76/03/91/187760391.db2.gz HBAQBIDLFGHHKV-HJWRWDBZSA-N -1 0 233.267 2.218 50 0 BEAARM Cc1ccc(OCC(=O)[O-])cc1Br ZINC000082309235 187794047 /nfs/dbraw/zinc/79/40/47/187794047.db2.gz MMPKCAQTRVSPER-UHFFFAOYSA-N -1 0 245.072 2.221 50 0 BEAARM O=C([O-])Cc1csc(CCC(F)(F)F)n1 ZINC000086979246 323941008 /nfs/dbraw/zinc/94/10/08/323941008.db2.gz BSRMGMMIHCCIHJ-UHFFFAOYSA-N -1 0 239.218 2.265 50 0 BEAARM Cc1ccc(Cl)cc1NC(=O)CCC(=O)[O-] ZINC000000064865 188099019 /nfs/dbraw/zinc/09/90/19/188099019.db2.gz MAEBYLOMZZIEBH-UHFFFAOYSA-N -1 0 241.674 2.452 50 0 BEAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[O-] ZINC000000332851 188099819 /nfs/dbraw/zinc/09/98/19/188099819.db2.gz OVJMQMJXWCLLKF-LBPRGKRZSA-N -1 0 231.251 2.035 50 0 biogenic BEAARM CC(C)[C@H](C)NC(=O)c1ccccc1C(=O)[O-] ZINC000000393319 188099923 /nfs/dbraw/zinc/09/99/23/188099923.db2.gz ADGVAUFYODACQG-VIFPVBQESA-N -1 0 235.283 2.159 50 0 BEAARM O=C([O-])c1n[nH]c2cc(Br)ccc21 ZINC000002547929 188101086 /nfs/dbraw/zinc/10/10/86/188101086.db2.gz QDQJIDDXPACPKY-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000003681389 188101440 /nfs/dbraw/zinc/10/14/40/188101440.db2.gz XEENGIOISBUOKN-UHFFFAOYSA-N -1 0 241.246 2.151 50 0 BEAARM O=C([O-])C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000004254603 188102213 /nfs/dbraw/zinc/10/22/13/188102213.db2.gz WVWCLNDERHVFSB-VKHMYHEASA-N -1 0 246.946 2.443 50 0 BEAARM Cc1ccc(CNC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000006788199 188103444 /nfs/dbraw/zinc/10/34/44/188103444.db2.gz WMLNPCBEVWMWNX-NSHDSACASA-N -1 0 249.310 2.112 50 0 BEAARM CC(=O)Nc1cccc(CCCC(=O)[O-])c1 ZINC000036047418 188112596 /nfs/dbraw/zinc/11/25/96/188112596.db2.gz NRPQODVUAOZBSI-UHFFFAOYSA-N -1 0 221.256 2.052 50 0 BEAARM Cc1cnc(N)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000067787959 188129033 /nfs/dbraw/zinc/12/90/33/188129033.db2.gz LIZBNLJSVNBBEU-UHFFFAOYSA-N -1 0 228.251 2.337 50 0 BEAARM C[C@H](CCC(=O)[O-])NC(=O)C1CCCCCC1 ZINC000070309726 188130116 /nfs/dbraw/zinc/13/01/16/188130116.db2.gz DEJRLTBNSPJNEY-SNVBAGLBSA-N -1 0 241.331 2.326 50 0 BEAARM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095970760 188147712 /nfs/dbraw/zinc/14/77/12/188147712.db2.gz LPTMWLGCTBLPHL-SKDRFNHKSA-N -1 0 247.294 2.298 50 0 BEAARM CC(C)CO[C@@H]1C(=O)CCC[C@H]1CCC(=O)[O-] ZINC000004181826 188456621 /nfs/dbraw/zinc/45/66/21/188456621.db2.gz IGZDTIAVSQHVMM-GWCFXTLKSA-N -1 0 242.315 2.262 50 0 BEAARM Cc1cc(C)n(-c2ccc(CC(=O)[O-])cc2)n1 ZINC000032627916 188466265 /nfs/dbraw/zinc/46/62/65/188466265.db2.gz IYGXMMGBIJLILT-UHFFFAOYSA-N -1 0 230.267 2.116 50 0 BEAARM O=C([O-])c1ccnc([C@H]2CCCCC2=O)c1 ZINC000004228187 354380667 /nfs/dbraw/zinc/38/06/67/354380667.db2.gz PZJPDEBEAYCCIA-SECBINFHSA-N -1 0 219.240 2.007 50 0 BEAARM CCC1CN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000335120392 354758313 /nfs/dbraw/zinc/75/83/13/354758313.db2.gz XWTXDSQEJHQWLT-UHFFFAOYSA-N -1 0 223.247 2.013 50 0 BEAARM O=C([O-])c1c(-c2ncc[nH]2)noc1C1CCC1 ZINC000675057726 538480717 /nfs/dbraw/zinc/48/07/17/538480717.db2.gz LWRCZGKNHLQKMT-UHFFFAOYSA-N -1 0 233.227 2.030 50 0 BEAARM Nc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000001669748 357091846 /nfs/dbraw/zinc/09/18/46/357091846.db2.gz XTRBDVMERAIUOB-UHFFFAOYSA-N -1 0 249.291 2.183 50 0 BEAARM NC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000065339756 181302024 /nfs/dbraw/zinc/30/20/24/181302024.db2.gz RJUGNNOOCRDGDQ-UHFFFAOYSA-N -1 0 241.246 2.151 50 0 BEAARM C/C=C(/C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000170675964 364010608 /nfs/dbraw/zinc/01/06/08/364010608.db2.gz IRIPIZFENSOBAD-OQFOIZHKSA-N -1 0 233.267 2.218 50 0 BEAARM O=C([O-])c1csc(-n2ncc3ccccc32)n1 ZINC000202260217 368353990 /nfs/dbraw/zinc/35/39/90/368353990.db2.gz JMOXHSOGPUXLLK-UHFFFAOYSA-N -1 0 245.263 2.180 50 0 BEAARM O=C([O-])C1(c2cccnc2)CC2(CCC2)C1 ZINC000087617410 368894855 /nfs/dbraw/zinc/89/48/55/368894855.db2.gz TWKLSSIIQVOEMG-UHFFFAOYSA-N -1 0 217.268 2.368 50 0 BEAARM CCCCCCC[C@H]1OC(=O)C[C@H]1C(=O)[O-] ZINC000008402545 372701379 /nfs/dbraw/zinc/70/13/79/372701379.db2.gz GLJAEVIGKCSCRV-NXEZZACHSA-N -1 0 228.288 2.363 50 0 BEAARM O=C(c1c[n-]c2ccccc2c1=O)C(F)(F)F ZINC000039932481 373063311 /nfs/dbraw/zinc/06/33/11/373063311.db2.gz WYSFKWKEYXLQPP-UHFFFAOYSA-N -1 0 241.168 2.273 50 0 BEAARM Cc1cc(F)ccc1C(=O)CCC(=O)[O-] ZINC000002378692 205457048 /nfs/dbraw/zinc/45/70/48/205457048.db2.gz AVVSAUIZPPNXRX-UHFFFAOYSA-N -1 0 210.204 2.182 50 0 BEAARM CCOC(=O)C=C([O-])c1cccc(F)c1C ZINC000382699391 374256450 /nfs/dbraw/zinc/25/64/50/374256450.db2.gz NEQNMIRDUJFHRQ-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000001081437 182327820 /nfs/dbraw/zinc/32/78/20/182327820.db2.gz PUANNVQABXUYKU-NEPJUHHUSA-N -1 0 247.294 2.060 50 0 BEAARM O=C([O-])c1ccc(NC(=O)c2ccco2)s1 ZINC000012505401 182352544 /nfs/dbraw/zinc/35/25/44/182352544.db2.gz OGGZITWUFBSWSO-UHFFFAOYSA-N -1 0 237.236 2.292 50 0 BEAARM O=C([O-])c1sccc1NC(=O)c1ccncc1 ZINC000022150889 182391167 /nfs/dbraw/zinc/39/11/67/182391167.db2.gz MQJQQTDTQYSZMN-UHFFFAOYSA-N -1 0 248.263 2.094 50 0 BEAARM O=C([N-]c1cnoc1)c1cc(-c2ccco2)on1 ZINC000075170854 182396773 /nfs/dbraw/zinc/39/67/73/182396773.db2.gz PPNGDUYZIFBTHT-UHFFFAOYSA-N -1 0 245.194 2.175 50 0 BEAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)nc1 ZINC000014628676 182411229 /nfs/dbraw/zinc/41/12/29/182411229.db2.gz ATQAZNAOJJOPTL-DUXPYHPUSA-N -1 0 217.146 2.198 50 0 BEAARM O=C([O-])CCC(=O)Nc1cccc2ncccc21 ZINC000000417946 182432956 /nfs/dbraw/zinc/43/29/56/182432956.db2.gz ILCBYDQITDKXCT-UHFFFAOYSA-N -1 0 244.250 2.038 50 0 BEAARM O=C([O-])CCCC(=O)c1cccc(F)c1 ZINC000002378666 182435349 /nfs/dbraw/zinc/43/53/49/182435349.db2.gz VMDBDUOSNLRJAG-UHFFFAOYSA-N -1 0 210.204 2.263 50 0 BEAARM O=C([O-])COc1cccc(C(F)(F)F)c1 ZINC000002390395 182471172 /nfs/dbraw/zinc/47/11/72/182471172.db2.gz KTTDWGZRVMNQNZ-UHFFFAOYSA-N -1 0 220.146 2.169 50 0 BEAARM O=C([O-])CO[C@H]1CCCC[C@@H]1c1ccco1 ZINC000008782694 182469769 /nfs/dbraw/zinc/46/97/69/182469769.db2.gz YRIFQKJPPZNCIK-KOLCDFICSA-N -1 0 224.256 2.407 50 0 BEAARM O=C([O-])COc1cc(Cl)ccc1Cl ZINC000005105069 182470236 /nfs/dbraw/zinc/47/02/36/182470236.db2.gz YVPLLFUCNGVUAY-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 BEAARM O=C([O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000012395160 182490967 /nfs/dbraw/zinc/49/09/67/182490967.db2.gz DATMYZYLWFIMSZ-UHFFFAOYSA-N -1 0 234.173 2.255 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)c(Cl)cc1F ZINC000263625257 182503401 /nfs/dbraw/zinc/50/34/01/182503401.db2.gz YCVJVRIFVMVHNQ-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@@H](Sc1ccncn1)c1ccccc1 ZINC000003163594 182505092 /nfs/dbraw/zinc/50/50/92/182505092.db2.gz SMPGUHPUSPHKGC-NSHDSACASA-N -1 0 246.291 2.395 50 0 BEAARM O=C([O-])[C@H]1CC=C(Br)CC1 ZINC000085483173 182532610 /nfs/dbraw/zinc/53/26/10/182532610.db2.gz UQFQSTPXVCBGOQ-YFKPBYRVSA-N -1 0 205.051 2.150 50 0 BEAARM O=C([O-])[C@H]1CCC[C@H]1C(=O)c1ccccc1 ZINC000002574408 182537157 /nfs/dbraw/zinc/53/71/57/182537157.db2.gz SPRHBCOBGFZPAI-MNOVXSKESA-N -1 0 218.252 2.370 50 0 BEAARM O=C([O-])[C@H]1CCOc2ccc(Cl)cc21 ZINC000026479662 182539521 /nfs/dbraw/zinc/53/95/21/182539521.db2.gz KDOXMLTXESQYSR-ZETCQYMHSA-N -1 0 212.632 2.291 50 0 BEAARM O=C([O-])c1cc(C(F)(F)F)ccc1O ZINC000020593719 182553268 /nfs/dbraw/zinc/55/32/68/182553268.db2.gz YQDOJQUHDQGQPH-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM O=C([O-])c1cc(Cl)nc(-c2ccccc2)n1 ZINC000058042693 182555053 /nfs/dbraw/zinc/55/50/53/182555053.db2.gz OVZANHVNKPKFNF-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000047203367 182571282 /nfs/dbraw/zinc/57/12/82/182571282.db2.gz BDTNUJKTIBXNOC-UHFFFAOYSA-N -1 0 206.119 2.125 50 0 BEAARM O=C([O-])c1cccc(COCC(F)(F)F)c1 ZINC000004186176 182576647 /nfs/dbraw/zinc/57/66/47/182576647.db2.gz GQHFVAPINPEZPD-UHFFFAOYSA-N -1 0 234.173 2.464 50 0 BEAARM O=C([O-])c1cccc(NC(=O)c2cccnc2)c1 ZINC000000873432 182577840 /nfs/dbraw/zinc/57/78/40/182577840.db2.gz ZPXHGRCNSBEEOL-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000012357809 182591327 /nfs/dbraw/zinc/59/13/27/182591327.db2.gz IKIIMRKHGIWFEP-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM O=c1cc(-c2ccco2)[n-]n1-c1ccccc1 ZINC000100552269 182720375 /nfs/dbraw/zinc/72/03/75/182720375.db2.gz RCKJXMQXOQFQEQ-UHFFFAOYSA-N -1 0 226.235 2.421 50 0 BEAARM CCCN(CC(=O)[O-])C(=O)c1cc(C)cc(C)c1 ZINC000038019465 169097614 /nfs/dbraw/zinc/09/76/14/169097614.db2.gz UEGFCCHNQWMKFF-UHFFFAOYSA-N -1 0 249.310 2.240 50 0 BEAARM O=c1c2c([n-]n1-c1ccccc1)CCCC2 ZINC000100070125 183254283 /nfs/dbraw/zinc/25/42/83/183254283.db2.gz BEORIYFJWKHSQW-UHFFFAOYSA-N -1 0 214.268 2.457 50 0 BEAARM [O-]c1ccc(Cl)nc1Br ZINC000038536924 183273564 /nfs/dbraw/zinc/27/35/64/183273564.db2.gz FHKFKPWGFUMBAM-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM [O-]c1cc(F)c(Br)c(F)c1 ZINC000004290728 183259266 /nfs/dbraw/zinc/25/92/66/183259266.db2.gz HHGOLZGZHXELSW-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM CCCNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000006741000 169239280 /nfs/dbraw/zinc/23/92/80/169239280.db2.gz UKNVAXBNQYIIMQ-UHFFFAOYSA-N -1 0 236.271 2.225 50 0 BEAARM CCCOc1c(OC)cccc1C(=O)[O-] ZINC000011959415 169313663 /nfs/dbraw/zinc/31/36/63/169313663.db2.gz UAPGLKPYMBAHEJ-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CCCOc1ccc(CCC(=O)[O-])cc1 ZINC000002913599 169317812 /nfs/dbraw/zinc/31/78/12/169317812.db2.gz SOFMLHAGBATXNZ-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1Br ZINC000000038386 383819874 /nfs/dbraw/zinc/81/98/74/383819874.db2.gz ZFJOMUKPDWNRFI-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM O=C([O-])COc1cccc(Cl)c1Cl ZINC000000057142 383820735 /nfs/dbraw/zinc/82/07/35/383820735.db2.gz RBJIGQRZLITQJG-UHFFFAOYSA-N -1 0 221.039 2.457 50 0 BEAARM CS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000000153772 383836268 /nfs/dbraw/zinc/83/62/68/383836268.db2.gz CTBGNTCBLZAIRI-UHFFFAOYSA-N -1 0 241.095 2.103 50 0 BEAARM Cc1cc(C)c(N2C[C@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000000317147 383852671 /nfs/dbraw/zinc/85/26/71/383852671.db2.gz AXLGQTRQNJDIMJ-LLVKDONJSA-N -1 0 247.294 2.049 50 0 BEAARM O=C([O-])COC12CC3CC(CC(C3)C1)C2 ZINC000000392351 383861333 /nfs/dbraw/zinc/86/13/33/383861333.db2.gz RYNSYNZPEBDAAA-UHFFFAOYSA-N -1 0 210.273 2.056 50 0 BEAARM Cc1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000000158932 383835331 /nfs/dbraw/zinc/83/53/31/383835331.db2.gz ZPXPNKCBUXSJFK-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM COC(=O)c1cc(=O)c2cc(F)c(F)cc2[n-]1 ZINC000067172718 383913117 /nfs/dbraw/zinc/91/31/17/383913117.db2.gz IAOJNGHTHOBUPV-UHFFFAOYSA-N -1 0 239.177 2.005 50 0 BEAARM O=C([O-])CCc1c(F)c(F)c(F)c(F)c1F ZINC000001627053 383915176 /nfs/dbraw/zinc/91/51/76/383915176.db2.gz KBAMYOFXGBJADC-UHFFFAOYSA-N -1 0 240.127 2.399 50 0 BEAARM O=C([O-])CCc1ccnc2ccccc12 ZINC000001657405 383918886 /nfs/dbraw/zinc/91/88/86/383918886.db2.gz IWJZVWBVDNIJIL-UHFFFAOYSA-N -1 0 201.225 2.252 50 0 BEAARM O=C([O-])CCOc1ccccc1Cl ZINC000001672268 383921547 /nfs/dbraw/zinc/92/15/47/383921547.db2.gz UZFYWLRSVDZCSF-UHFFFAOYSA-N -1 0 200.621 2.194 50 0 BEAARM CCc1ccc(OCCCC(=O)[O-])cc1 ZINC000001777746 383935677 /nfs/dbraw/zinc/93/56/77/383935677.db2.gz ORUNWRBEMLXXLJ-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM O=C([O-])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000901979 383883175 /nfs/dbraw/zinc/88/31/75/383883175.db2.gz JEFJREKVJYACNK-UHFFFAOYSA-N -1 0 248.065 2.407 50 0 in-vitro BEAARM CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000001433072 383899463 /nfs/dbraw/zinc/89/94/63/383899463.db2.gz QJEQJDJFJWWURK-BDAKNGLRSA-N -1 0 243.303 2.155 50 0 BEAARM CC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000002740510 383987072 /nfs/dbraw/zinc/98/70/72/383987072.db2.gz CINJNHPIIVNRPA-UHFFFAOYSA-N -1 0 249.266 2.083 50 0 BEAARM O=C([O-])C1CCN(c2nc3ccccc3o2)CC1 ZINC000003028889 383995297 /nfs/dbraw/zinc/99/52/97/383995297.db2.gz OWLMBHUAWNJFSB-UHFFFAOYSA-N -1 0 246.266 2.129 50 0 BEAARM O=C([O-])CCC(=O)c1c(F)cccc1F ZINC000002378728 383959244 /nfs/dbraw/zinc/95/92/44/383959244.db2.gz ZZKJZIUCLOKLOT-UHFFFAOYSA-N -1 0 214.167 2.012 50 0 BEAARM O=C([O-])Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000068593553 384001745 /nfs/dbraw/zinc/00/17/45/384001745.db2.gz DRCROMDBZGXPTP-UHFFFAOYSA-N -1 0 239.177 2.247 50 0 BEAARM O=C([O-])[C@@H]1CCc2nc(C(F)(F)F)ccc2C1 ZINC000114050926 384020571 /nfs/dbraw/zinc/02/05/71/384020571.db2.gz RAWUKUNDMGWMAL-SSDOTTSWSA-N -1 0 245.200 2.290 50 0 BEAARM O=C([O-])COc1ccc(Br)cc1F ZINC000003322128 384006045 /nfs/dbraw/zinc/00/60/45/384006045.db2.gz HPXDHKIIFGVHOU-UHFFFAOYSA-N -1 0 249.035 2.052 50 0 BEAARM O=C([O-])c1coc(COc2ccccc2F)n1 ZINC000067692363 384014868 /nfs/dbraw/zinc/01/48/68/384014868.db2.gz QGEJBUFKWIUTCG-UHFFFAOYSA-N -1 0 237.186 2.091 50 0 BEAARM O=C([O-])CSc1ccc(F)cc1F ZINC000004207137 384045438 /nfs/dbraw/zinc/04/54/38/384045438.db2.gz DGMMJRBTUKGZRY-UHFFFAOYSA-N -1 0 204.197 2.142 50 0 BEAARM Cc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000004218640 384048201 /nfs/dbraw/zinc/04/82/01/384048201.db2.gz OHPWUXLRWDOXFY-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM CC[C@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000090225693 384037088 /nfs/dbraw/zinc/03/70/88/384037088.db2.gz KMOZPCFILJMJNU-GFCCVEGCSA-N -1 0 243.303 2.251 50 0 BEAARM CC(=O)c1cn([C@@H](C)C(=O)[O-])c2ccccc12 ZINC000004933362 384088644 /nfs/dbraw/zinc/08/86/44/384088644.db2.gz UTUHECCDUKQQNB-QMMMGPOBSA-N -1 0 231.251 2.490 50 0 BEAARM O=C([O-])Cc1csc(-c2ccco2)n1 ZINC000004299266 384054509 /nfs/dbraw/zinc/05/45/09/384054509.db2.gz FLXJVBVLFGMUSJ-UHFFFAOYSA-N -1 0 209.226 2.030 50 0 BEAARM CC(C)(C(=O)[O-])c1cccc(F)c1F ZINC000069640243 384054763 /nfs/dbraw/zinc/05/47/63/384054763.db2.gz NGWGGYWAVAOYGN-UHFFFAOYSA-N -1 0 200.184 2.327 50 0 BEAARM O=C([O-])CCCC(=O)NC1CCCCCC1 ZINC000004652462 384071669 /nfs/dbraw/zinc/07/16/69/384071669.db2.gz DIQILXHKMCJWQT-UHFFFAOYSA-N -1 0 227.304 2.080 50 0 BEAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1ccccc1 ZINC000039135753 384108935 /nfs/dbraw/zinc/10/89/35/384108935.db2.gz OFNWTLAASXRJGP-CQSZACIVSA-N -1 0 247.294 2.156 50 0 BEAARM O=C([O-])C1(Br)CCCCC1 ZINC000039643824 384115821 /nfs/dbraw/zinc/11/58/21/384115821.db2.gz KHFXNUAYBKPUKC-UHFFFAOYSA-N -1 0 207.067 2.169 50 0 BEAARM Cc1ccc([C@@H](O)CCC(=O)[O-])c(C)c1 ZINC000004993476 384094910 /nfs/dbraw/zinc/09/49/10/384094910.db2.gz FKPRMHFIKWTZCB-NSHDSACASA-N -1 0 208.257 2.202 50 0 BEAARM O=C([O-])CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006091343 384146041 /nfs/dbraw/zinc/14/60/41/384146041.db2.gz NELMPJIYQJFINV-UHFFFAOYSA-N -1 0 248.065 2.407 50 0 BEAARM O=C([O-])Cc1nnc(-c2ccccc2Cl)o1 ZINC000006343851 384150983 /nfs/dbraw/zinc/15/09/83/384150983.db2.gz ADLWIJVQZQEZBM-UHFFFAOYSA-N -1 0 238.630 2.017 50 0 BEAARM COCCn1c(C)c(C(=O)[O-])c2ccccc21 ZINC000006677892 384162367 /nfs/dbraw/zinc/16/23/67/384162367.db2.gz HGIPHZUZJIYOEU-UHFFFAOYSA-N -1 0 233.267 2.294 50 0 BEAARM O=C([O-])CSC(=S)Cc1ccccc1 ZINC000040862931 384167214 /nfs/dbraw/zinc/16/72/14/384167214.db2.gz MVNRWNXHYULZQZ-UHFFFAOYSA-N -1 0 226.322 2.374 50 0 BEAARM CCOc1cc(C(=O)[O-])nc2c(F)cccc12 ZINC000071775326 384178223 /nfs/dbraw/zinc/17/82/23/384178223.db2.gz OWXDXJVAQDQYKK-UHFFFAOYSA-N -1 0 235.214 2.471 50 0 BEAARM COc1cc(CCC(=O)[O-])ccc1OC(F)F ZINC000071867277 384184207 /nfs/dbraw/zinc/18/42/07/384184207.db2.gz IUDNQNDPGSVOKX-UHFFFAOYSA-N -1 0 246.209 2.314 50 0 BEAARM CNc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000007982619 384189427 /nfs/dbraw/zinc/18/94/27/384189427.db2.gz HNSLDVWPWSNNMO-UHFFFAOYSA-N -1 0 248.307 2.479 50 0 BEAARM O=C([O-])CO[C@@H]1CCCC[C@H]1c1ccco1 ZINC000008782695 384218391 /nfs/dbraw/zinc/21/83/91/384218391.db2.gz YRIFQKJPPZNCIK-GXSJLCMTSA-N -1 0 224.256 2.407 50 0 BEAARM CN(Cc1ccccc1)c1ncccc1C(=O)[O-] ZINC000011987232 384305230 /nfs/dbraw/zinc/30/52/30/384305230.db2.gz ZQBZSTSUGRAXRW-UHFFFAOYSA-N -1 0 242.278 2.416 50 0 BEAARM O=C([O-])Cc1ccc(F)c(Cl)c1F ZINC000012359273 384313883 /nfs/dbraw/zinc/31/38/83/384313883.db2.gz HENNVWWQJGUCAH-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM CC[C@@H](CC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000097017582 384285826 /nfs/dbraw/zinc/28/58/26/384285826.db2.gz ADROPJHACIRZQL-NSHDSACASA-N -1 0 249.310 2.161 50 0 BEAARM O=C(/C=C/Br)Nc1ccccc1O ZINC000170623900 384342917 /nfs/dbraw/zinc/34/29/17/384342917.db2.gz AUARADZTHYUILV-AATRIKPKSA-N -1 0 242.072 2.239 50 0 BEAARM Cc1nc(-c2nc(C)c(Cl)c(=O)[n-]2)cs1 ZINC000013469567 384359147 /nfs/dbraw/zinc/35/91/47/384359147.db2.gz ZMTFAUKEEHGXRP-UHFFFAOYSA-N -1 0 241.703 2.164 50 0 BEAARM Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)[O-] ZINC000044901395 384364136 /nfs/dbraw/zinc/36/41/36/384364136.db2.gz HNWNGXGPYXXTTO-UHFFFAOYSA-N -1 0 234.230 2.151 50 0 BEAARM Cc1cccc(-n2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000013552437 384365993 /nfs/dbraw/zinc/36/59/93/384365993.db2.gz OUAMLAKMYBPWHP-UHFFFAOYSA-N -1 0 242.200 2.493 50 0 BEAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1Cl ZINC000044374578 384327277 /nfs/dbraw/zinc/32/72/77/384327277.db2.gz ZCMWOZJSLGQSQV-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM O=C([O-])c1cc2[nH]cc(Br)cc-2n1 ZINC000095919855 384408233 /nfs/dbraw/zinc/40/82/33/384408233.db2.gz GKHOPLYHOTXJGA-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cnc(Br)cc1Cl ZINC000095642400 384384937 /nfs/dbraw/zinc/38/49/37/384384937.db2.gz XWVFYJPQFMTKCQ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])Cc1cc(F)cc(Br)c1 ZINC000016159972 384452863 /nfs/dbraw/zinc/45/28/63/384452863.db2.gz JWWAJSAOIABGKW-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM O=C([O-])c1c(C(F)(F)F)noc1C(F)F ZINC000078870098 384471193 /nfs/dbraw/zinc/47/11/93/384471193.db2.gz RTZYVKPIMYRKID-UHFFFAOYSA-N -1 0 231.076 2.329 50 0 BEAARM O=C([O-])CCCn1ccnc1-c1ccccc1 ZINC000016941545 384473245 /nfs/dbraw/zinc/47/32/45/384473245.db2.gz QUDVHXPOVLZDQH-UHFFFAOYSA-N -1 0 230.267 2.415 50 0 BEAARM CCOc1ccccc1NC(=O)/C(C)=C\C(=O)[O-] ZINC000011566356 384458621 /nfs/dbraw/zinc/45/86/21/384458621.db2.gz ZLHXBAQHEVPYRP-HJWRWDBZSA-N -1 0 249.266 2.055 50 0 BEAARM Cc1cc(C(=O)[O-])c2ccc(F)cc2n1 ZINC000019088397 384510151 /nfs/dbraw/zinc/51/01/51/384510151.db2.gz KPNZFNKTKZNKKS-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM CC(C)CCOc1ncccc1C(=O)[O-] ZINC000019280732 384515959 /nfs/dbraw/zinc/51/59/59/384515959.db2.gz HNJJSPNOHKOWEB-UHFFFAOYSA-N -1 0 209.245 2.205 50 0 BEAARM CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000019410998 384522939 /nfs/dbraw/zinc/52/29/39/384522939.db2.gz DTOPCFJHOIYCNF-SNVBAGLBSA-N -1 0 230.210 2.453 50 0 BEAARM O=C([O-])COc1cccc2ccccc21 ZINC000000038389 384528389 /nfs/dbraw/zinc/52/83/89/384528389.db2.gz GHRYSOFWKRRLMI-UHFFFAOYSA-N -1 0 202.209 2.303 50 0 in-vivo BEAARM C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000049815105 384567377 /nfs/dbraw/zinc/56/73/77/384567377.db2.gz BZIXVZCPWVTUKP-HQJQHLMTSA-N -1 0 212.195 2.327 50 0 BEAARM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[O-] ZINC000020314172 384613449 /nfs/dbraw/zinc/61/34/49/384613449.db2.gz IQLFFGJLHQSXST-QMMMGPOBSA-N -1 0 233.271 2.409 50 0 BEAARM CCCc1cc(=O)n(-c2nc3ccccc3[nH]2)[n-]1 ZINC000100129762 384619780 /nfs/dbraw/zinc/61/97/80/384619780.db2.gz NFJMLRQAOMFRJY-UHFFFAOYSA-N -1 0 242.282 2.407 50 0 BEAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccccn1 ZINC000100862112 384655961 /nfs/dbraw/zinc/65/59/61/384655961.db2.gz WOMZEWNZGULGJE-UHFFFAOYSA-N -1 0 237.262 2.223 50 0 BEAARM O=c1nc(-c2cccc(O)c2)[n-]c2ccsc21 ZINC000011920667 384701809 /nfs/dbraw/zinc/70/18/09/384701809.db2.gz RCEICPFEYFCDDQ-UHFFFAOYSA-N -1 0 244.275 2.357 50 0 BEAARM O=C([O-])[C@H]1C[C@@]12CCCc1ccccc12 ZINC000052126546 384717428 /nfs/dbraw/zinc/71/74/28/384717428.db2.gz WVRLFWFGLWUZBD-DGCLKSJQSA-N -1 0 202.253 2.365 50 0 BEAARM O=C([O-])c1cnc(Cl)c(C(F)(F)F)c1 ZINC000052507652 384735693 /nfs/dbraw/zinc/73/56/93/384735693.db2.gz RAJGXNMAMRWLQG-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1cc(C(=O)[O-])c2c(n1)onc2C(C)C ZINC000022213329 384744302 /nfs/dbraw/zinc/74/43/02/384744302.db2.gz QXEGEYHKNDAFAW-UHFFFAOYSA-N -1 0 220.228 2.353 50 0 BEAARM Nc1c(C(=O)[O-])ccnc1-c1ccccc1 ZINC000126098247 384770168 /nfs/dbraw/zinc/77/01/68/384770168.db2.gz ITSXISVVNAUAKB-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM O=C([O-])c1ccc(F)cc1N1CCCC1 ZINC000086658641 385035395 /nfs/dbraw/zinc/03/53/95/385035395.db2.gz ZSCRFDMYNVSJCR-UHFFFAOYSA-N -1 0 209.220 2.124 50 0 BEAARM Cn1nc(C(F)F)c2cc(C(=O)[O-])sc21 ZINC000061629053 385128579 /nfs/dbraw/zinc/12/85/79/385128579.db2.gz CMJKZRUOCIQZHG-UHFFFAOYSA-N -1 0 232.211 2.271 50 0 BEAARM COc1ncc(Cl)c(C(=O)[O-])c1Cl ZINC000032911400 385190692 /nfs/dbraw/zinc/19/06/92/385190692.db2.gz QYPMTXWJTBYSHO-UHFFFAOYSA-N -1 0 222.027 2.095 50 0 BEAARM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000062868170 385193610 /nfs/dbraw/zinc/19/36/10/385193610.db2.gz PFWPNYSMOFPUPV-AWEZNQCLSA-N -1 0 247.294 2.014 50 0 BEAARM O=C([O-])c1cccc2[nH]c(C3CC3)nc21 ZINC000062136926 385160218 /nfs/dbraw/zinc/16/02/18/385160218.db2.gz JVDNIHOFKIDFQC-UHFFFAOYSA-N -1 0 202.213 2.139 50 0 BEAARM CC(C)(C)n1nc(C(=O)[O-])cc1C1CC1 ZINC000032625174 385175216 /nfs/dbraw/zinc/17/52/16/385175216.db2.gz FUNQZOVOKMSSEJ-UHFFFAOYSA-N -1 0 208.261 2.214 50 0 BEAARM O=C([O-])C1(c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000064033449 385242672 /nfs/dbraw/zinc/24/26/72/385242672.db2.gz IELWGOUPQRHXLS-UHFFFAOYSA-N -1 0 242.177 2.124 50 0 BEAARM CC(=O)C1=C([O-])[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O ZINC000000506593 385245763 /nfs/dbraw/zinc/24/57/63/385245763.db2.gz IOWYFQZIOCASML-WDMOLILDSA-N -1 0 234.295 2.096 50 0 BEAARM Cc1cnc(NCc2cccc(C(=O)[O-])c2)nc1 ZINC000063048229 385204908 /nfs/dbraw/zinc/20/49/08/385204908.db2.gz MODJTWCIYWQFGE-UHFFFAOYSA-N -1 0 243.266 2.095 50 0 BEAARM O=C([O-])[C@@H](O)c1cccc(Cl)c1Cl ZINC000040733902 385477950 /nfs/dbraw/zinc/47/79/50/385477950.db2.gz BBKBVCLSUNDJCP-ZETCQYMHSA-N -1 0 221.039 2.111 50 0 BEAARM O=C([O-])CCc1cccc2cnccc21 ZINC000019722020 385513409 /nfs/dbraw/zinc/51/34/09/385513409.db2.gz GYSUKDLKXFFECG-UHFFFAOYSA-N -1 0 201.225 2.252 50 0 BEAARM C[C@H](C(=O)[O-])[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000052259168 385711146 /nfs/dbraw/zinc/71/11/46/385711146.db2.gz XYSHVMJDFZAJEL-IMTBSYHQSA-N -1 0 246.209 2.042 50 0 BEAARM C[C@@H](C(=O)[O-])[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000052259172 385711165 /nfs/dbraw/zinc/71/11/65/385711165.db2.gz XYSHVMJDFZAJEL-HZGVNTEJSA-N -1 0 246.209 2.042 50 0 BEAARM O=C([O-])Cc1ccnc(-c2ccccc2)c1 ZINC000001675574 385802073 /nfs/dbraw/zinc/80/20/73/385802073.db2.gz WRGFYPVBCRIIAM-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM CN(Cc1ccon1)Cc1ccccc1C(=O)[O-] ZINC000215480574 385843870 /nfs/dbraw/zinc/84/38/70/385843870.db2.gz GLYQHWANBAIDCG-UHFFFAOYSA-N -1 0 246.266 2.005 50 0 BEAARM CC(C)n1c2ccccc2nc1[C@@H](O)CC(=O)[O-] ZINC000218596758 385904967 /nfs/dbraw/zinc/90/49/67/385904967.db2.gz VSSBZAZQBGIPRH-NSHDSACASA-N -1 0 248.282 2.125 50 0 BEAARM C/C=C(\C)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000221724689 386018103 /nfs/dbraw/zinc/01/81/03/386018103.db2.gz HYBNEVPLJVUBAF-WSAUGYEQSA-N -1 0 239.315 2.102 50 0 BEAARM O=C([O-])[C@@H](O)c1ccc(F)c(Cl)c1Cl ZINC000263623963 386157125 /nfs/dbraw/zinc/15/71/25/386157125.db2.gz MFJHNVASMXDUNP-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1c(Cl)cc(Cl)cc1[C@@H](O)C(=O)[O-] ZINC000263624835 386158750 /nfs/dbraw/zinc/15/87/50/386158750.db2.gz UPEBDVMOPPNVPE-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1c(Cl)ccc(Cl)c1[C@H](O)C(=O)[O-] ZINC000263625084 386158839 /nfs/dbraw/zinc/15/88/39/386158839.db2.gz WOYCZGUUCNDOES-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1c(Cl)cc(Cl)cc1[C@H](O)C(=O)[O-] ZINC000263624836 386159286 /nfs/dbraw/zinc/15/92/86/386159286.db2.gz UPEBDVMOPPNVPE-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1ccc([C@@H](O)C(=O)[O-])c(Cl)c1Cl ZINC000263624943 386159491 /nfs/dbraw/zinc/15/94/91/386159491.db2.gz VKLSYSIJUUOOCS-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1c(Cl)c(Cl)ccc1[C@@H](O)C(=O)[O-] ZINC000263624596 386159556 /nfs/dbraw/zinc/15/95/56/386159556.db2.gz RVJGLUQWJHXBLK-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cn1c(=O)c2oc3ccccc3c2[n-]c1=S ZINC000102899988 386567400 /nfs/dbraw/zinc/56/74/00/386567400.db2.gz LNIHVTZTOVSSPE-UHFFFAOYSA-N -1 0 232.264 2.342 50 0 BEAARM Cc1cc(=S)n2nc(C(F)(F)F)[n-]c2n1 ZINC000101380553 386630946 /nfs/dbraw/zinc/63/09/46/386630946.db2.gz ZYPVWWHTMYAYEW-UHFFFAOYSA-N -1 0 234.206 2.114 50 0 BEAARM O=C([O-])c1ccc(C(=O)COC(F)(F)F)cc1 ZINC000575442445 387134808 /nfs/dbraw/zinc/13/48/08/387134808.db2.gz PLVYTRPFRPNVFD-UHFFFAOYSA-N -1 0 248.156 2.104 50 0 BEAARM C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)[O-] ZINC000000103546 387484109 /nfs/dbraw/zinc/48/41/09/387484109.db2.gz OEZHHHFRMDIKIH-UCUJLANTSA-N -1 0 216.236 2.492 50 0 aggregator,biogenic BEAARM Cc1cc(C(=O)[O-])c2cnn(CC(C)C)c2n1 ZINC000020314177 177824181 /nfs/dbraw/zinc/82/41/81/177824181.db2.gz PVSGVEFUSVYBHC-UHFFFAOYSA-N -1 0 233.271 2.094 50 0 BEAARM O=C([O-])c1cccc(NN=Cc2ccncc2)c1 ZINC000254700552 388350619 /nfs/dbraw/zinc/35/06/19/388350619.db2.gz FSVUUSKWDKROFT-UHFFFAOYSA-N -1 0 241.250 2.226 50 0 BEAARM O=C([O-])c1cccc2c(-c3ccncc3)n[nH]c21 ZINC000031991987 388390556 /nfs/dbraw/zinc/39/05/56/388390556.db2.gz LEABALOSHKYCHF-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CCC[C@H](CC(=O)[O-])NC(=O)c1ccccc1 ZINC000039289773 388408995 /nfs/dbraw/zinc/40/89/95/388408995.db2.gz RPIHURPGNGHLBO-LLVKDONJSA-N -1 0 235.283 2.060 50 0 BEAARM CC(C)[C@@H](CC(=O)NCC(=O)[O-])c1ccccc1 ZINC000195541438 388479164 /nfs/dbraw/zinc/47/91/64/388479164.db2.gz RXLPTPGUOVAABK-GFCCVEGCSA-N -1 0 249.310 2.017 50 0 BEAARM C[C@@H]1Cc2cc(/C=C/C(=O)[O-])ccc2O1 ZINC000009237854 388425073 /nfs/dbraw/zinc/42/50/73/388425073.db2.gz LEVLLAUMDRPDCY-RYEJSQLPSA-N -1 0 204.225 2.108 50 0 BEAARM Cc1c(N)cc(C(C)C)c(O)c1C(=O)[O-] ZINC000096026612 388805700 /nfs/dbraw/zinc/80/57/00/388805700.db2.gz IJVUBIMMPIJCFJ-UHFFFAOYSA-N -1 0 209.245 2.104 50 0 BEAARM CC(=O)c1ccc(N2CCC(C(=O)[O-])CC2)cc1 ZINC000003883123 132315753 /nfs/dbraw/zinc/31/57/53/132315753.db2.gz XHUHUVPBFVRUQS-UHFFFAOYSA-N -1 0 247.294 2.190 50 0 BEAARM CC(C)(C)OC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012649643 133449861 /nfs/dbraw/zinc/44/98/61/133449861.db2.gz XUVJUIHIZBJBPD-IUCAKERBSA-N -1 0 228.288 2.219 50 0 BEAARM O=C([O-])c1cccc2c1[C@H](O)c1ccccc1-2 ZINC000000404826 134214928 /nfs/dbraw/zinc/21/49/28/134214928.db2.gz NDTKXJOMFWNZGE-CYBMUJFWSA-N -1 0 226.231 2.447 50 0 BEAARM O=C([O-])c1cccc2c1[C@@H](O)c1ccccc1-2 ZINC000000404825 134215177 /nfs/dbraw/zinc/21/51/77/134215177.db2.gz NDTKXJOMFWNZGE-ZDUSSCGKSA-N -1 0 226.231 2.447 50 0 BEAARM CCCC(CCC)[C@@H](C(=O)[O-])C(=O)OCC ZINC000004277079 397922086 /nfs/dbraw/zinc/92/20/86/397922086.db2.gz SMGMZCACYMLWFD-JTQLQIEISA-N -1 0 230.304 2.467 50 0 BEAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(C)c(C)c1 ZINC000005234982 166230899 /nfs/dbraw/zinc/23/08/99/166230899.db2.gz FFPJSPSNMLPERS-YFHOEESVSA-N -1 0 233.267 2.273 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[O-] ZINC000034507450 166648763 /nfs/dbraw/zinc/64/87/63/166648763.db2.gz YERVFXLPVTWCHS-VIFPVBQESA-N -1 0 243.303 2.251 50 0 BEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCCC1 ZINC000002567259 166667643 /nfs/dbraw/zinc/66/76/43/166667643.db2.gz WBSJQVRMQOLSAT-VIFPVBQESA-N -1 0 243.303 2.155 50 0 BEAARM CC(C)(C)OC(=O)Nc1cccc(C(=O)[O-])n1 ZINC000022014301 166669825 /nfs/dbraw/zinc/66/98/25/166669825.db2.gz GNGCSXRLPFHKIO-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM CC(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034950917 167390039 /nfs/dbraw/zinc/39/00/39/167390039.db2.gz QMCJVFYCDSYHGW-MRVPVSSYSA-N -1 0 216.277 2.075 50 0 BEAARM CC(C)c1ccc(-n2nn[n-]c2=S)cc1 ZINC000006887919 167583588 /nfs/dbraw/zinc/58/35/88/167583588.db2.gz GLESZQGPJXOSSI-UHFFFAOYSA-N -1 0 220.301 2.074 50 0 BEAARM CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000016124397 168138102 /nfs/dbraw/zinc/13/81/02/168138102.db2.gz HUFDYAIAEFHOKI-UHFFFAOYSA-N -1 0 239.296 2.317 50 0 in-vitro BEAARM CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)[O-] ZINC000002601570 168149425 /nfs/dbraw/zinc/14/94/25/168149425.db2.gz HZKDWOYFFPADLZ-ILDUYXDCSA-N -1 0 241.331 2.038 50 0 BEAARM CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000004725232 168244662 /nfs/dbraw/zinc/24/46/62/168244662.db2.gz XDRIKOQOOWOHNR-UHFFFAOYSA-N -1 0 227.647 2.387 50 0 BEAARM CCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000018325214 168253477 /nfs/dbraw/zinc/25/34/77/168253477.db2.gz HFGTVPSCLRKMJX-LBPRGKRZSA-N -1 0 230.267 2.004 50 0 BEAARM CCOC(=O)/C(=C\c1ccccc1)CC(=O)[O-] ZINC000005315173 170180076 /nfs/dbraw/zinc/18/00/76/170180076.db2.gz VEYDSHORJUTFLG-FLIBITNWSA-N -1 0 234.251 2.108 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(C)c(F)c1 ZINC000043501782 170197692 /nfs/dbraw/zinc/19/76/92/170197692.db2.gz FKXSDCFCHUAAEN-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM CCOC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000037396382 170243676 /nfs/dbraw/zinc/24/36/76/170243676.db2.gz RBLYLLHPWSXXRW-UHFFFAOYSA-N -1 0 227.191 2.092 50 0 BEAARM CCOC(=O)N=c1[n-]nc(C(C)C)s1 ZINC000000298087 170244679 /nfs/dbraw/zinc/24/46/79/170244679.db2.gz RADSHMWNSPNYFX-UHFFFAOYSA-N -1 0 215.278 2.230 50 0 BEAARM CCOC(=O)C1=C([O-])c2ccccc2SC1 ZINC000071773710 170259856 /nfs/dbraw/zinc/25/98/56/170259856.db2.gz CZMPMGZGVDXHHO-SECBINFHSA-N -1 0 236.292 2.154 50 0 BEAARM CCOC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000008887945 170289674 /nfs/dbraw/zinc/28/96/74/170289674.db2.gz WRHXUGRUTJJRQQ-UHFFFAOYSA-N -1 0 231.251 2.013 50 0 BEAARM CCOC(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000008577669 170289836 /nfs/dbraw/zinc/28/98/36/170289836.db2.gz AKBJMLWAUZEZSK-UHFFFAOYSA-N -1 0 245.278 2.322 50 0 BEAARM CCO[N-]C(=O)COc1ccc2ccccc2c1 ZINC000017821462 170462166 /nfs/dbraw/zinc/46/21/66/170462166.db2.gz ZSGQGOPRLVQIMR-UHFFFAOYSA-N -1 0 245.278 2.286 50 0 BEAARM CC[C@@H](C(=O)[O-])[S@](=O)c1ccc(C)cc1C ZINC000040956091 170670609 /nfs/dbraw/zinc/67/06/09/170670609.db2.gz IXWMFKMASUOWMS-MGPLVRAMSA-N -1 0 240.324 2.274 50 0 BEAARM CC[C@@H](C(=O)[O-])n1cnc2ccccc21 ZINC000004992682 170671524 /nfs/dbraw/zinc/67/15/24/170671524.db2.gz ZEWUJLZQFQTWHE-VIFPVBQESA-N -1 0 204.229 2.072 50 0 BEAARM CC[C@H](C(=O)[O-])[S@@](=O)c1ccc(C)cc1C ZINC000040956089 171238584 /nfs/dbraw/zinc/23/85/84/171238584.db2.gz IXWMFKMASUOWMS-HWPZZCPQSA-N -1 0 240.324 2.274 50 0 BEAARM CC[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000035721110 171321711 /nfs/dbraw/zinc/32/17/11/171321711.db2.gz DWPQSIAUUMZYHJ-JTQLQIEISA-N -1 0 241.331 2.326 50 0 BEAARM CC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007307855 171345088 /nfs/dbraw/zinc/34/50/88/171345088.db2.gz UXYQQNILNAIHIC-ZETCQYMHSA-N -1 0 249.282 2.042 50 0 BEAARM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000082164287 171692934 /nfs/dbraw/zinc/69/29/34/171692934.db2.gz SEUXPDHPZUFZFQ-LLVKDONJSA-N -1 0 231.292 2.012 50 0 BEAARM CCn1c(C)cc(=O)c2cc(C(=O)[O-])ccc21 ZINC000019701918 172134839 /nfs/dbraw/zinc/13/48/39/172134839.db2.gz CWKGVZVNNYIWRQ-UHFFFAOYSA-N -1 0 231.251 2.028 50 0 BEAARM CCn1nc(C)c(C(=O)[O-])c1C(F)(F)Cl ZINC000075767009 172245066 /nfs/dbraw/zinc/24/50/66/172245066.db2.gz WJGIVDKQPRNGEU-UHFFFAOYSA-N -1 0 238.621 2.198 50 0 BEAARM CCn1ncc(C(=O)[O-])c1-c1ccccc1 ZINC000042188438 172253938 /nfs/dbraw/zinc/25/39/38/172253938.db2.gz LRHONBYCCYYORC-UHFFFAOYSA-N -1 0 216.240 2.268 50 0 BEAARM COC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000096299807 173891081 /nfs/dbraw/zinc/89/10/81/173891081.db2.gz JMJGRFGKJKXVPP-UHFFFAOYSA-N -1 0 209.226 2.277 50 0 BEAARM COCCc1ccc(OCCCC(=O)[O-])cc1 ZINC000036969777 174421956 /nfs/dbraw/zinc/42/19/56/174421956.db2.gz WFFRLSRZHMIYGB-UHFFFAOYSA-N -1 0 238.283 2.119 50 0 BEAARM COCc1nc2ccccc2n1CCCC(=O)[O-] ZINC000007467010 174645016 /nfs/dbraw/zinc/64/50/16/174645016.db2.gz REWVEHLZLYFMMC-UHFFFAOYSA-N -1 0 248.282 2.048 50 0 BEAARM COc1c(Cl)ccc(CC(=O)[O-])c1F ZINC000091252023 174930621 /nfs/dbraw/zinc/93/06/21/174930621.db2.gz ISTHAWLIXVWDQR-UHFFFAOYSA-N -1 0 218.611 2.115 50 0 BEAARM COc1cc2oc(=O)cc([O-])c2cc1Cl ZINC000071404796 175028775 /nfs/dbraw/zinc/02/87/75/175028775.db2.gz NNLNQUFCJQTEOD-UHFFFAOYSA-N -1 0 226.615 2.161 50 0 BEAARM COc1ccc(-c2cnc(C(=O)[O-])o2)cc1 ZINC000020444543 175036090 /nfs/dbraw/zinc/03/60/90/175036090.db2.gz ZXYKFIVEXNHKPO-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccc(C(=O)[O-])cc1OC(C)C ZINC000000171196 175064157 /nfs/dbraw/zinc/06/41/57/175064157.db2.gz RWEWUTIPMKOWRT-UHFFFAOYSA-N -1 0 210.229 2.181 50 0 BEAARM COc1ccc(C[C@@H](C)C(=O)[O-])cc1F ZINC000040377470 175114973 /nfs/dbraw/zinc/11/49/73/175114973.db2.gz AAABJKSOVYDFKA-SSDOTTSWSA-N -1 0 212.220 2.098 50 0 BEAARM COc1ccc2c(c1)CCC[C@@H]2C(=O)[O-] ZINC000039290844 175208121 /nfs/dbraw/zinc/20/81/21/175208121.db2.gz WDLWRQYLECGUNU-NSHDSACASA-N -1 0 206.241 2.200 50 0 BEAARM COc1ccc2cc(C(=O)[O-])c(C)nc2c1 ZINC000000332977 175223863 /nfs/dbraw/zinc/22/38/63/175223863.db2.gz XBQMSEMHUXMTQF-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM COc1ccc2nc(C)cc(C(=O)[O-])c2c1 ZINC000000072646 175227676 /nfs/dbraw/zinc/22/76/76/175227676.db2.gz WCSVELHYERJCLA-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM COc1cccc(C(=O)CC(C)(C)C(=O)[O-])c1 ZINC000002378752 175242363 /nfs/dbraw/zinc/24/23/63/175242363.db2.gz HZTLYJVRGLYRHJ-UHFFFAOYSA-N -1 0 236.267 2.379 50 0 BEAARM COc1cccc(C(F)(F)F)c1C(=O)[O-] ZINC000034433796 175247263 /nfs/dbraw/zinc/24/72/63/175247263.db2.gz IOJYMQXQDCJQBF-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1cccc2ccn(CCC(=O)[O-])c21 ZINC000040162974 175307537 /nfs/dbraw/zinc/30/75/37/175307537.db2.gz CAJDFRRZTPYBHZ-UHFFFAOYSA-N -1 0 219.240 2.125 50 0 biogenic BEAARM COc1ccccc1-c1ccc(C(=O)[O-])cn1 ZINC000020442008 175309026 /nfs/dbraw/zinc/30/90/26/175309026.db2.gz AWVNEFWCGJKVKB-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000043879006 175320156 /nfs/dbraw/zinc/32/01/56/175320156.db2.gz MEKBVCIQBYRCMJ-VHSXEESVSA-N -1 0 248.278 2.379 50 0 BEAARM C[C@@H](C1CC1)n1ncc2cc(C(=O)[O-])cnc21 ZINC000021968284 175634887 /nfs/dbraw/zinc/63/48/87/175634887.db2.gz VWZIPYZDJWDKQC-ZETCQYMHSA-N -1 0 231.255 2.101 50 0 BEAARM C[C@@H](Oc1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000072341364 176003783 /nfs/dbraw/zinc/00/37/83/176003783.db2.gz OKTOGTFKLDRTOB-GSVOUGTGSA-N -1 0 238.136 2.095 50 0 BEAARM C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000000181031 176010329 /nfs/dbraw/zinc/01/03/29/176010329.db2.gz BPGKQRFDAPZJPQ-ZCFIWIBFSA-N -1 0 222.269 2.128 50 0 BEAARM C[C@@H]1C(=O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000000328219 176043049 /nfs/dbraw/zinc/04/30/49/176043049.db2.gz ZUJNZQBIDOPAKD-RNCFNFMXSA-N -1 0 218.252 2.008 50 0 BEAARM C[C@@H]1Cc2cc(CCC(=O)[O-])ccc2O1 ZINC000004975326 176450229 /nfs/dbraw/zinc/45/02/29/176450229.db2.gz BLRNUELPADPXNI-MRVPVSSYSA-N -1 0 206.241 2.027 50 0 BEAARM C[C@H](C(=O)[O-])[C@@H]1OCCc2sccc21 ZINC000238856885 176585438 /nfs/dbraw/zinc/58/54/38/176585438.db2.gz XNJKFVMZPSGMFR-RCOVLWMOSA-N -1 0 212.270 2.083 50 0 BEAARM C[C@H](CC(=O)c1ccccc1F)C(=O)[O-] ZINC000002539850 176604329 /nfs/dbraw/zinc/60/43/29/176604329.db2.gz SDBOBCHEALYEEF-SSDOTTSWSA-N -1 0 210.204 2.119 50 0 BEAARM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000004294617 177023228 /nfs/dbraw/zinc/02/32/28/177023228.db2.gz ZJLIHMQROANPCJ-QMMMGPOBSA-N -1 0 206.241 2.027 50 0 BEAARM C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000019687230 177029021 /nfs/dbraw/zinc/02/90/21/177029021.db2.gz ZOUQEZRWVQATMA-ZETCQYMHSA-N -1 0 240.280 2.023 50 0 BEAARM C[C@H](Sc1ccc(Cl)cn1)C(=O)[O-] ZINC000005919425 177029413 /nfs/dbraw/zinc/02/94/13/177029413.db2.gz SHDDRLMWATUNEM-YFKPBYRVSA-N -1 0 217.677 2.300 50 0 BEAARM C[C@H]1C(=O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000002496808 177057045 /nfs/dbraw/zinc/05/70/45/177057045.db2.gz ZUJNZQBIDOPAKD-ZANVPECISA-N -1 0 218.252 2.008 50 0 BEAARM C[C@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095970763 177377214 /nfs/dbraw/zinc/37/72/14/177377214.db2.gz LPTMWLGCTBLPHL-JOYOIKCWSA-N -1 0 247.294 2.298 50 0 BEAARM C[C@]1(O)C[C@H](c2ccccc2)S[C@H]1C(=O)[O-] ZINC000245257279 177476697 /nfs/dbraw/zinc/47/66/97/177476697.db2.gz YMQZLPSBXBXWNW-SCVCMEIPSA-N -1 0 238.308 2.069 50 0 BEAARM Cc1n[nH]cc1-c1ccccc1O[C@@H](C)C(=O)[O-] ZINC000534672975 323158829 /nfs/dbraw/zinc/15/88/29/323158829.db2.gz FRLBRCGKRHFWHH-VIFPVBQESA-N -1 0 246.266 2.237 50 0 BEAARM CCc1ccc(C(=O)N(C)[C@@H](CC)C(=O)[O-])cc1 ZINC000044612060 488006274 /nfs/dbraw/zinc/00/62/74/488006274.db2.gz MHLUMHIZDHNULF-LBPRGKRZSA-N -1 0 249.310 2.184 50 0 BEAARM CONC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000077664826 488182872 /nfs/dbraw/zinc/18/28/72/488182872.db2.gz SKVFFPVSJVHTQK-UHFFFAOYSA-N -1 0 244.294 2.292 50 0 BEAARM CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000012649649 534923614 /nfs/dbraw/zinc/92/36/14/534923614.db2.gz XUVJUIHIZBJBPD-RKDXNWHRSA-N -1 0 228.288 2.219 50 0 BEAARM CC(C)[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719950284 566282206 /nfs/dbraw/zinc/28/22/06/566282206.db2.gz BCTXIPJDYFHTMC-ZCFIWIBFSA-N -1 0 242.300 2.072 50 0 BEAARM O=[S@]([O-])Cc1cc(F)ccc1Cl ZINC000675061974 566449396 /nfs/dbraw/zinc/44/93/96/566449396.db2.gz WKZGEMPEFARGQD-UHFFFAOYSA-N -1 0 208.641 2.201 50 0 BEAARM O=C([O-])Cc1c(F)cccc1Br ZINC000075902410 585174750 /nfs/dbraw/zinc/17/47/50/585174750.db2.gz FXZNTVCKHGUWOP-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM C[C@H](Nc1cccc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000159231711 641673757 /nfs/dbraw/zinc/67/37/57/641673757.db2.gz ZLVBTGKTRADQNE-ONGXEEELSA-N -1 0 235.283 2.222 50 0 BEAARM Cc1cccc(-c2nsc(C(=O)[O-])n2)c1 ZINC000074076113 644170388 /nfs/dbraw/zinc/17/03/88/644170388.db2.gz PPULVBLIUBKGOC-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM CSC[C@@H](C)C(=O)[N-]Oc1ccccc1 ZINC000585080849 961849159 /nfs/dbraw/zinc/84/91/59/961849159.db2.gz JCAHVSISDSBYDX-SECBINFHSA-N -1 0 225.313 2.096 50 0 BEAARM CC(C)c1c(C(=O)[O-])nc2n1CCCC2 ZINC000952878260 974057525 /nfs/dbraw/zinc/05/75/25/974057525.db2.gz BZINJWDHUYAJNX-UHFFFAOYSA-N -1 0 208.261 2.041 50 0 BEAARM COC1(C(F)(F)C(=O)[O-])CCCCC1 ZINC000223646324 990833160 /nfs/dbraw/zinc/83/31/60/990833160.db2.gz CHJVQDFNFQWINE-UHFFFAOYSA-N -1 0 208.204 2.056 50 0 BEAARM Cc1cc(CSCC(=O)[O-])cc(C)c1O ZINC000004975332 178052472 /nfs/dbraw/zinc/05/24/72/178052472.db2.gz GIQBGCJJEAHKLY-UHFFFAOYSA-N -1 0 226.297 2.327 50 0 BEAARM Cc1cc(Cl)c([C@@H](O)C(=O)[O-])c(Cl)c1 ZINC000263623366 178060531 /nfs/dbraw/zinc/06/05/31/178060531.db2.gz GUYUXBOPORQVHW-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)o1 ZINC000074938376 398210843 /nfs/dbraw/zinc/21/08/43/398210843.db2.gz DUQOVLSZOJPRQR-DTWKUNHWSA-N -1 0 241.312 2.155 50 0 BEAARM Cc1cc2ncn(C[C@@H](C)C(=O)[O-])c2cc1C ZINC000035756759 178305698 /nfs/dbraw/zinc/30/56/98/178305698.db2.gz MMEILEAEOHKIIF-SNVBAGLBSA-N -1 0 232.283 2.374 50 0 BEAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)nn1 ZINC000067741618 178326787 /nfs/dbraw/zinc/32/67/87/178326787.db2.gz UAZTVNLFZADHML-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1nn2c([n-]1)nc(-c1ccc(C)cc1)cc2=O ZINC000018222789 178321732 /nfs/dbraw/zinc/32/17/32/178321732.db2.gz VVVDABHPUZUZDZ-UHFFFAOYSA-N -1 0 240.266 2.114 50 0 BEAARM Cc1nn(-c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000004038291 178348464 /nfs/dbraw/zinc/34/84/64/178348464.db2.gz IYXUBIXIXMTVEW-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM CC(C)(O)CCc1ccc(C(=O)[O-])cc1 ZINC000072207365 259315248 /nfs/dbraw/zinc/31/52/48/259315248.db2.gz DVCVEZSFPNWRSF-UHFFFAOYSA-N -1 0 208.257 2.088 50 0 BEAARM O=C([O-])c1cc2cc(Cl)ccc2oc1=O ZINC000000084513 342673411 /nfs/dbraw/zinc/67/34/11/342673411.db2.gz FOEGEQQPOKZIAB-UHFFFAOYSA-N -1 0 224.599 2.145 50 0 biogenic BEAARM Cc1cc(C)c(NC(=O)CCC(=O)[O-])c(C)c1 ZINC000000113260 342675056 /nfs/dbraw/zinc/67/50/56/342675056.db2.gz PJMRDZKSIBMEJF-UHFFFAOYSA-N -1 0 235.283 2.415 50 0 BEAARM Clc1ccc(-c2nn[nH]n2)cc1Cl ZINC000000116111 342675084 /nfs/dbraw/zinc/67/50/84/342675084.db2.gz SPKVZXBNWCKHGR-UHFFFAOYSA-N -1 0 215.043 2.174 50 0 BEAARM Clc1cccc(Cl)c1-c1nn[nH]n1 ZINC000000116114 342675128 /nfs/dbraw/zinc/67/51/28/342675128.db2.gz RLXQNTWJPTUTCL-UHFFFAOYSA-N -1 0 215.043 2.174 50 0 BEAARM O=C([O-])[C@@H](Cc1ccccc1)n1cccc1 ZINC000000112462 342675137 /nfs/dbraw/zinc/67/51/37/342675137.db2.gz SSUGRWDGXQIOME-GFCCVEGCSA-N -1 0 215.252 2.357 50 0 biogenic,in-vitro BEAARM Cc1ccc([C@H](O)C(C)(C)C(=O)[O-])cc1 ZINC000000167377 342678637 /nfs/dbraw/zinc/67/86/37/342678637.db2.gz AQHNAIWQBJLNNS-JTQLQIEISA-N -1 0 208.257 2.139 50 0 BEAARM CCCc1nc2ccccc2n1CC(=O)[O-] ZINC000000194316 342679915 /nfs/dbraw/zinc/67/99/15/342679915.db2.gz SQKBAAWXVRUDNZ-UHFFFAOYSA-N -1 0 218.256 2.073 50 0 BEAARM O=C([O-])c1cccnc1OCc1ccccc1 ZINC000000235768 342680930 /nfs/dbraw/zinc/68/09/30/342680930.db2.gz FUNQFOUBLCEFIK-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 ZINC000000276479 342682071 /nfs/dbraw/zinc/68/20/71/342682071.db2.gz XKSLIJHVJSMXPT-VXGBXAGGSA-N -1 0 245.278 2.292 50 0 BEAARM Cc1cc(O[C@@H](C)C(=O)[O-])c(C)c(C)c1O ZINC000000408071 342686972 /nfs/dbraw/zinc/68/69/72/342686972.db2.gz OWLOBKGWOQDOSJ-VIFPVBQESA-N -1 0 224.256 2.169 50 0 BEAARM C[C@@H](CCC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000619011 342690950 /nfs/dbraw/zinc/69/09/50/342690950.db2.gz GCMSBQGHHOGESQ-VIFPVBQESA-N -1 0 221.256 2.126 50 0 BEAARM CCCc1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC000000619797 342691097 /nfs/dbraw/zinc/69/10/97/342691097.db2.gz OEGWWGDLMDYAAN-UHFFFAOYSA-N -1 0 246.266 2.278 50 0 BEAARM CCc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000858799 342693845 /nfs/dbraw/zinc/69/38/45/342693845.db2.gz OPPMQFXQMJPMMZ-LBPRGKRZSA-N -1 0 249.310 2.088 50 0 BEAARM CCOc1ccc(OCC)c(C(=O)[O-])c1 ZINC000001187885 342698017 /nfs/dbraw/zinc/69/80/17/342698017.db2.gz JAQYHJDTEZSFIJ-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM O=C1[N-]C(=O)[C@H](Nc2cccc(Cl)c2)S1 ZINC000001204403 342698393 /nfs/dbraw/zinc/69/83/93/342698393.db2.gz JXRODLLUUPWVLJ-MRVPVSSYSA-N -1 0 242.687 2.061 50 0 BEAARM O=C([O-])c1ccc(C(F)(F)F)cc1O ZINC000002380356 342719299 /nfs/dbraw/zinc/71/92/99/342719299.db2.gz XMLFPUBZFSJWCN-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 world BEAARM C[C@H](CC(=O)[O-])CC(=O)c1ccccc1 ZINC000002387535 342719747 /nfs/dbraw/zinc/71/97/47/342719747.db2.gz DGKMKGNXHZXIKE-VIFPVBQESA-N -1 0 206.241 2.370 50 0 BEAARM O=C([O-])c1ccc(C(=O)C(F)(F)F)cc1 ZINC000002169276 342716544 /nfs/dbraw/zinc/71/65/44/342716544.db2.gz WLTZCRCZDLLXQP-UHFFFAOYSA-N -1 0 218.130 2.130 50 0 BEAARM Cc1ccc2[nH]c(S[C@H](C)C(=O)[O-])nc2c1 ZINC000004386202 342747314 /nfs/dbraw/zinc/74/73/14/342747314.db2.gz QKMVZTPHRLGLGU-SSDOTTSWSA-N -1 0 236.296 2.437 50 0 BEAARM COc1c(F)ccc(/C=C/C(=O)[O-])c1F ZINC000002527860 342722723 /nfs/dbraw/zinc/72/27/23/342722723.db2.gz MVSJBWJGXKYERG-HWKANZROSA-N -1 0 214.167 2.071 50 0 BEAARM COc1c(F)cc(/C=C/C(=O)[O-])cc1F ZINC000002527840 342722737 /nfs/dbraw/zinc/72/27/37/342722737.db2.gz DETUIHJOEHNQBZ-NSCUHMNNSA-N -1 0 214.167 2.071 50 0 BEAARM Cc1cc(C)cc(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535561 342723168 /nfs/dbraw/zinc/72/31/68/342723168.db2.gz BJDDSMALJBAIRJ-UHFFFAOYSA-N -1 0 246.266 2.235 50 0 BEAARM C[C@H](CC(=O)c1cccc(F)c1)C(=O)[O-] ZINC000002539851 342723514 /nfs/dbraw/zinc/72/35/14/342723514.db2.gz CHYRXHBVBVPCLF-SSDOTTSWSA-N -1 0 210.204 2.119 50 0 BEAARM C[C@H](C(=O)[O-])n1nc(C(F)F)cc1C(F)F ZINC000002549567 342723705 /nfs/dbraw/zinc/72/37/05/342723705.db2.gz NELRRJQUCQJLEC-GSVOUGTGSA-N -1 0 240.156 2.404 50 0 BEAARM Cc1ccc(F)c(CC(=O)[O-])c1Cl ZINC000002574977 342725263 /nfs/dbraw/zinc/72/52/63/342725263.db2.gz IZLFHWYEGHXIRN-UHFFFAOYSA-N -1 0 202.612 2.415 50 0 BEAARM CC(C)(C)OC(=O)c1ccccc1C(=O)[O-] ZINC000002584518 342725838 /nfs/dbraw/zinc/72/58/38/342725838.db2.gz PBUQZKXKYSAJDO-UHFFFAOYSA-N -1 0 222.240 2.340 50 0 BEAARM CC[C@@H](C(=O)[O-])n1cc(C=O)c2ccccc21 ZINC000004636240 342749628 /nfs/dbraw/zinc/74/96/28/342749628.db2.gz HXWHURCYMNEHJV-NSHDSACASA-N -1 0 231.251 2.490 50 0 BEAARM O=C([O-])c1cc(-c2c[nH]c3ccccc32)[nH]n1 ZINC000003896815 342739498 /nfs/dbraw/zinc/73/94/98/342739498.db2.gz LWCOJZLPIRKQIZ-UHFFFAOYSA-N -1 0 227.223 2.256 50 0 BEAARM Cc1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000004833527 342752876 /nfs/dbraw/zinc/75/28/76/342752876.db2.gz KGNPSTIXBIQSQW-UHFFFAOYSA-N -1 0 217.190 2.174 50 0 BEAARM COc1cc(C)c([C@H](O)CCC(=O)[O-])cc1C ZINC000004988671 342755723 /nfs/dbraw/zinc/75/57/23/342755723.db2.gz CVXGRCQCQPJBTG-LLVKDONJSA-N -1 0 238.283 2.210 50 0 BEAARM CCCCOc1ccc(C(=O)[O-])c(O)c1 ZINC000005420503 342763521 /nfs/dbraw/zinc/76/35/21/342763521.db2.gz RNGFVIMNTYOBTK-UHFFFAOYSA-N -1 0 210.229 2.269 50 0 BEAARM O=C([O-])c1cc(=O)[nH]c2ccc(Cl)cc21 ZINC000005483246 342764393 /nfs/dbraw/zinc/76/43/93/342764393.db2.gz AMYRRFUUZGORKF-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)[O-] ZINC000006050238 342772966 /nfs/dbraw/zinc/77/29/66/342772966.db2.gz FVTWJYOGVFLUNJ-MRVPVSSYSA-N -1 0 243.303 2.107 50 0 in-vitro BEAARM Cc1[n-]n2c(nc(C)cc2=O)c1-c1ccccc1 ZINC000006556539 342779261 /nfs/dbraw/zinc/77/92/61/342779261.db2.gz SZRSVAZVGPOQDP-UHFFFAOYSA-N -1 0 239.278 2.306 50 0 BEAARM Cc1cc(C(=O)[O-])ccc1OCC(F)F ZINC000126856797 342785947 /nfs/dbraw/zinc/78/59/47/342785947.db2.gz BKQMFYNBJDZACS-UHFFFAOYSA-N -1 0 216.183 2.337 50 0 BEAARM CC(C)c1nc(C(=O)[O-])c2ccccn21 ZINC000020222656 342789670 /nfs/dbraw/zinc/78/96/70/342789670.db2.gz DLOGDJFDUVGZKY-UHFFFAOYSA-N -1 0 204.229 2.156 50 0 BEAARM CC(C)(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000020226906 342789715 /nfs/dbraw/zinc/78/97/15/342789715.db2.gz KDOVRXYIIKJICN-UHFFFAOYSA-N -1 0 235.283 2.298 50 0 BEAARM CCc1c(C)sc(NC(C)=O)c1C(=O)[O-] ZINC000002755197 342793044 /nfs/dbraw/zinc/79/30/44/342793044.db2.gz HZUVJWMWOLKULZ-UHFFFAOYSA-N -1 0 227.285 2.276 50 0 BEAARM Cc1ccc([C@](O)(C(=O)[O-])c2ccccc2)cc1 ZINC000008462101 342799225 /nfs/dbraw/zinc/79/92/25/342799225.db2.gz CINSFZZGMRTJKZ-HNNXBMFYSA-N -1 0 242.274 2.316 50 0 BEAARM Cc1nc(CSCCC(=O)[O-])cs1 ZINC000008983713 342806613 /nfs/dbraw/zinc/80/66/13/342806613.db2.gz YGIHQGBOMZTPQT-UHFFFAOYSA-N -1 0 217.315 2.159 50 0 BEAARM CCOc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000010021436 342831301 /nfs/dbraw/zinc/83/13/01/342831301.db2.gz FKTHAJTWXRSXRZ-UHFFFAOYSA-N -1 0 233.223 2.439 50 0 BEAARM CCCCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000011638447 342842190 /nfs/dbraw/zinc/84/21/90/342842190.db2.gz INYMOBCCKQWGEY-UHFFFAOYSA-N -1 0 237.255 2.219 50 0 BEAARM O=C([O-])[C@@H](Cc1ccccn1)c1ccccc1 ZINC000011570612 342841601 /nfs/dbraw/zinc/84/16/01/342841601.db2.gz NFTPZFXXVNZGAD-ZDUSSCGKSA-N -1 0 227.263 2.493 50 0 BEAARM O=C([O-])c1cnn(Cc2cccc(Cl)c2)c1 ZINC000012357810 342849780 /nfs/dbraw/zinc/84/97/80/342849780.db2.gz NLYKYYBEGQPGJL-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM Cc1cc(Br)oc1C(=O)[O-] ZINC000012506761 342852996 /nfs/dbraw/zinc/85/29/96/342852996.db2.gz WXEJPQJVASKGHW-UHFFFAOYSA-N -1 0 205.007 2.049 50 0 BEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C(C)C)cc1 ZINC000011888066 342844067 /nfs/dbraw/zinc/84/40/67/342844067.db2.gz UFTHTIGPOVRWEL-UHFFFAOYSA-N -1 0 245.282 2.397 50 0 BEAARM Cc1c(C)n(C[C@H](O)CC(=O)[O-])c2ccccc12 ZINC000013567035 342867920 /nfs/dbraw/zinc/86/79/20/342867920.db2.gz CJQMWFKWGLWRBC-LLVKDONJSA-N -1 0 247.294 2.094 50 0 BEAARM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000014632734 342883307 /nfs/dbraw/zinc/88/33/07/342883307.db2.gz SZCQGYCDQVOYDH-UHFFFAOYSA-N -1 0 243.303 2.156 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000036720443 178463487 /nfs/dbraw/zinc/46/34/87/178463487.db2.gz YQTLGLWPKDKQCL-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM CN(C)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000020269660 342979399 /nfs/dbraw/zinc/97/93/99/342979399.db2.gz AJVDJWZAIIWTRR-UHFFFAOYSA-N -1 0 207.273 2.115 50 0 BEAARM Cc1oc(C)c(C(=O)[O-])c1Br ZINC000020283180 342980241 /nfs/dbraw/zinc/98/02/41/342980241.db2.gz DSUSYVCPBAFOQR-UHFFFAOYSA-N -1 0 219.034 2.357 50 0 BEAARM O=C([O-])c1ccccc1OCc1ccncc1 ZINC000020281710 342980362 /nfs/dbraw/zinc/98/03/62/342980362.db2.gz MSXCCHTWBPXRSX-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM CC(C)c1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000020281281 342980449 /nfs/dbraw/zinc/98/04/49/342980449.db2.gz ZJAXXKYWLRAINQ-NSHDSACASA-N -1 0 247.294 2.248 50 0 BEAARM Cc1c(CNc2ccc(C(=O)[O-])cc2)cnn1C ZINC000020353798 342982706 /nfs/dbraw/zinc/98/27/06/342982706.db2.gz CTWSSQTXGUKAJM-UHFFFAOYSA-N -1 0 245.282 2.039 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)cc2F)on1 ZINC000020444822 342985875 /nfs/dbraw/zinc/98/58/75/342985875.db2.gz FQAFQXBZWSTPRH-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)[O-] ZINC000021303752 343009265 /nfs/dbraw/zinc/00/92/65/343009265.db2.gz ACHKRIQLSCPKKK-QMMMGPOBSA-N -1 0 243.303 2.107 50 0 BEAARM COc1cc(C(=O)[O-])c(-n2cccc2)cc1OC ZINC000022214471 343044229 /nfs/dbraw/zinc/04/42/29/343044229.db2.gz POCCMFYSLDOPPP-UHFFFAOYSA-N -1 0 247.250 2.193 50 0 BEAARM O=C([O-])[C@@H]1CCOc2ccc(Cl)cc21 ZINC000026479654 343105980 /nfs/dbraw/zinc/10/59/80/343105980.db2.gz KDOXMLTXESQYSR-SSDOTTSWSA-N -1 0 212.632 2.291 50 0 BEAARM O=C([O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000026514886 343106579 /nfs/dbraw/zinc/10/65/79/343106579.db2.gz DMRHUSUJIBVOKA-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM CO[N-]C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000025823092 343096097 /nfs/dbraw/zinc/09/60/97/343096097.db2.gz NXZZCKDUVDWRGE-UHFFFAOYSA-N -1 0 237.299 2.041 50 0 BEAARM CC(C)c1cc2cc(CC(=O)[O-])ccc2[nH]c1=O ZINC000032101977 343229551 /nfs/dbraw/zinc/22/95/51/343229551.db2.gz FUGOWCGMKGKXOT-UHFFFAOYSA-N -1 0 245.278 2.279 50 0 BEAARM C[C@@H]1/C(=N\O)CC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000022034314 343272006 /nfs/dbraw/zinc/27/20/06/343272006.db2.gz IADWNRWYUQCWGZ-GCHJSVLMSA-N -1 0 233.267 2.269 50 0 BEAARM O=C([O-])[C@H]1CS[C@H](c2ccc(Cl)s2)N1 ZINC000036906845 343327555 /nfs/dbraw/zinc/32/75/55/343327555.db2.gz IKBXTCUEVOKTDZ-CLZZGJSISA-N -1 0 249.744 2.190 50 0 BEAARM CC(C)c1nn(C)c2sc(C(=O)[O-])cc12 ZINC000036905354 343327585 /nfs/dbraw/zinc/32/75/85/343327585.db2.gz XVYIJKPPQWYKEU-UHFFFAOYSA-N -1 0 224.285 2.456 50 0 BEAARM CCc1[nH]c(-c2ccccc2)nc1C(=O)[O-] ZINC000035320739 343293844 /nfs/dbraw/zinc/29/38/44/343293844.db2.gz YCDMTIOUKDGVLV-UHFFFAOYSA-N -1 0 216.240 2.337 50 0 BEAARM O=C([O-])c1ccc(C(=O)N2CCCCC2)cc1 ZINC000035347437 343294356 /nfs/dbraw/zinc/29/43/56/343294356.db2.gz CCQPDDNFTHQPCX-UHFFFAOYSA-N -1 0 233.267 2.011 50 0 BEAARM C[C@@H](CNc1ccc(Cl)cc1)C(=O)[O-] ZINC000035758004 343303796 /nfs/dbraw/zinc/30/37/96/343303796.db2.gz MBIZQDHHJQIKTO-ZETCQYMHSA-N -1 0 213.664 2.473 50 0 BEAARM CC[C@H]1CCCN1c1cc(C(=O)[O-])ccn1 ZINC000037915260 343360416 /nfs/dbraw/zinc/36/04/16/343360416.db2.gz CEWWIYDZHOSPDG-JTQLQIEISA-N -1 0 220.272 2.159 50 0 BEAARM CC(C)(C)C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000038478298 343375515 /nfs/dbraw/zinc/37/55/15/343375515.db2.gz CXIVXEROWBESNS-UHFFFAOYSA-N -1 0 236.267 2.379 50 0 BEAARM CCOc1c(F)ccc(C(=O)[O-])c1F ZINC000038529940 343376360 /nfs/dbraw/zinc/37/63/60/343376360.db2.gz KUOUFQUWQYELBO-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000037380872 343344333 /nfs/dbraw/zinc/34/43/33/343344333.db2.gz XRVPPNOXFATEAL-RKDXNWHRSA-N -1 0 228.194 2.476 50 0 BEAARM O=C([O-])[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000037381174 343344381 /nfs/dbraw/zinc/34/43/81/343344381.db2.gz VEQHUVWIKWWTFY-YUMQZZPRSA-N -1 0 228.194 2.476 50 0 BEAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CCC1(C)C ZINC000039778410 343392723 /nfs/dbraw/zinc/39/27/23/343392723.db2.gz SFPBDVPSCZYAHV-QMMMGPOBSA-N -1 0 243.303 2.249 50 0 BEAARM Cc1ccc2c(ccn2CCC(=O)[O-])c1 ZINC000041127859 343415844 /nfs/dbraw/zinc/41/58/44/343415844.db2.gz LUGRUQKMQDKPLR-UHFFFAOYSA-N -1 0 203.241 2.424 50 0 BEAARM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)[O-] ZINC000041228795 343417172 /nfs/dbraw/zinc/41/71/72/343417172.db2.gz QKGAYNNYZHJULN-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM COc1cc(Cl)cc(F)c1C(=O)[O-] ZINC000043220719 343466377 /nfs/dbraw/zinc/46/63/77/343466377.db2.gz JLZRFRKBYNNGKJ-UHFFFAOYSA-N -1 0 204.584 2.186 50 0 BEAARM Cc1c(C(=O)[O-])cnn1C1CCCCC1 ZINC000044375156 343499203 /nfs/dbraw/zinc/49/92/03/343499203.db2.gz MPMCAMAUMJWUKS-UHFFFAOYSA-N -1 0 208.261 2.395 50 0 BEAARM O=C([O-])c1ccnc(Cl)c1Br ZINC000049581115 343603054 /nfs/dbraw/zinc/60/30/54/343603054.db2.gz CBDQVZVCRLQAOD-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1cc(F)ccc1OCc1ccncc1 ZINC000128449223 347026069 /nfs/dbraw/zinc/02/60/69/347026069.db2.gz ZBCLKJYGVDTYIB-UHFFFAOYSA-N -1 0 247.225 2.498 50 0 BEAARM CCC[C@H](CC(=O)[O-])NC(=O)/C=C(\C)C1CC1 ZINC000585139819 344169570 /nfs/dbraw/zinc/16/95/70/344169570.db2.gz FSYMCYCXWUJUSN-MXMFLMJRSA-N -1 0 239.315 2.102 50 0 BEAARM O=C([O-])Cc1ncc(Cl)cc1C(F)(F)F ZINC000238617825 345094574 /nfs/dbraw/zinc/09/45/74/345094574.db2.gz POVQNGACPIJRSP-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM O=C([O-])Cc1cc(Cl)ncc1C(F)(F)F ZINC000238684294 345109174 /nfs/dbraw/zinc/10/91/74/345109174.db2.gz PVNCUDKEKVLOMQ-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000143979753 345915021 /nfs/dbraw/zinc/91/50/21/345915021.db2.gz LDBFBCYPFDOYEV-DTWKUNHWSA-N -1 0 243.303 2.155 50 0 BEAARM Cc1cccc(C(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC000057537577 179006282 /nfs/dbraw/zinc/00/62/82/179006282.db2.gz FZIMRXKXLMAWDW-UHFFFAOYSA-N -1 0 249.310 2.178 50 0 BEAARM C/C(=C\C(=O)NC1CCCCCCC1)C(=O)[O-] ZINC000005516733 346246069 /nfs/dbraw/zinc/24/60/69/346246069.db2.gz SXGCBFNGASPVOI-MDZDMXLPSA-N -1 0 239.315 2.246 50 0 BEAARM Cc1cccc(C(=O)[O-])c1Br ZINC000000404236 179025717 /nfs/dbraw/zinc/02/57/17/179025717.db2.gz LSRTWJCYIWGKCQ-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM Cc1ccccc1OCc1n[n-]c(=S)o1 ZINC000032500947 179312498 /nfs/dbraw/zinc/31/24/98/179312498.db2.gz OYGJVMQJOBCWKW-UHFFFAOYSA-N -1 0 222.269 2.246 50 0 BEAARM Cc1ccn(-c2cccc(O[C@H](C)C(=O)[O-])c2)n1 ZINC000067851986 179398969 /nfs/dbraw/zinc/39/89/69/179398969.db2.gz LSZOIXZDHKZTIU-SNVBAGLBSA-N -1 0 246.266 2.033 50 0 BEAARM CCCC[C@@H](CC)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000037457876 348613251 /nfs/dbraw/zinc/61/32/51/348613251.db2.gz SGJOUOAHSOFHTD-VHSXEESVSA-N -1 0 229.320 2.182 50 0 BEAARM Cc1ccc2occ(/C=C/C(=O)[O-])c(=O)c2c1 ZINC000000095991 187407414 /nfs/dbraw/zinc/40/74/14/187407414.db2.gz RCUXFUGWNOGPQG-HWKANZROSA-N -1 0 230.219 2.199 50 0 biogenic BEAARM Cc1cc(C(=O)[O-])n(Cc2ccc(F)cc2)n1 ZINC000002520650 187410163 /nfs/dbraw/zinc/41/01/63/187410163.db2.gz LCNKEPNSKFFGPO-UHFFFAOYSA-N -1 0 234.230 2.077 50 0 BEAARM CC(C)[C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000070122260 187421943 /nfs/dbraw/zinc/42/19/43/187421943.db2.gz NLFZMTUIFBFEFX-JTQLQIEISA-N -1 0 249.310 2.293 50 0 BEAARM COc1ccccc1C[C@@H](C)CC(=O)[O-] ZINC000016310070 187416088 /nfs/dbraw/zinc/41/60/88/187416088.db2.gz WAXGTOBKXADUQN-SECBINFHSA-N -1 0 208.257 2.349 50 0 BEAARM Cc1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000003884325 179896917 /nfs/dbraw/zinc/89/69/17/179896917.db2.gz REKJPVUFKQYMHW-UHFFFAOYSA-N -1 0 211.164 2.169 50 0 BEAARM CC(C)c1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000031812908 190985021 /nfs/dbraw/zinc/98/50/21/190985021.db2.gz JAIFLOKONOVSRR-FPLPWBNLSA-N -1 0 233.267 2.389 50 0 BEAARM O=S(=O)([O-])c1cc(Cl)cc(Cl)c1 ZINC000034544486 190985705 /nfs/dbraw/zinc/98/57/05/190985705.db2.gz IJJUDUDQGIIQOO-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM Cc1nc(NC(=O)c2ncccc2[O-])sc1C ZINC000042573670 180014076 /nfs/dbraw/zinc/01/40/76/180014076.db2.gz WIYCGGRSJLUOEO-UHFFFAOYSA-N -1 0 249.295 2.113 50 0 BEAARM Cc1nn2c([n-]1)nc(C)c(CCC(C)C)c2=O ZINC000100694893 180114130 /nfs/dbraw/zinc/11/41/30/180114130.db2.gz YLIOBMSJXDCELY-UHFFFAOYSA-N -1 0 234.303 2.035 50 0 BEAARM Cc1nc2ccccc2n1CCCC(=O)[O-] ZINC000000025035 180103813 /nfs/dbraw/zinc/10/38/13/180103813.db2.gz IRBRKNDBYUBKIR-UHFFFAOYSA-N -1 0 218.256 2.210 50 0 BEAARM Cc1ncc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000000158931 180136086 /nfs/dbraw/zinc/13/60/86/180136086.db2.gz XKJAQESOTNACHT-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1noc(-c2ccsc2)c1CC(=O)[O-] ZINC000072324015 180460428 /nfs/dbraw/zinc/46/04/28/180460428.db2.gz SXFHWTAYSAJTKH-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000008700446 187759552 /nfs/dbraw/zinc/75/95/52/187759552.db2.gz VYEZQNYDNQBJNA-UHFFFAOYSA-N -1 0 220.203 2.018 50 0 BEAARM C/C=C/c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000000150396 188098897 /nfs/dbraw/zinc/09/88/97/188098897.db2.gz UORQJKKOBXSGRG-ONEGZZNKSA-N -1 0 222.240 2.192 50 0 biogenic,in-vitro BEAARM COc1ccc(CCCC(=O)[O-])c(C)c1 ZINC000000203599 188099596 /nfs/dbraw/zinc/09/95/96/188099596.db2.gz SDCCJOGFKKGOBC-UHFFFAOYSA-N -1 0 208.257 2.411 50 0 in-vitro BEAARM COc1ccc2[nH]c(C(=O)[O-])c(C)c2c1 ZINC000000382879 188100044 /nfs/dbraw/zinc/10/00/44/188100044.db2.gz CPXMQDRGVOOXSQ-UHFFFAOYSA-N -1 0 205.213 2.183 50 0 in-vitro BEAARM CC(C)COc1cccc(OCC(=O)[O-])c1 ZINC000004071657 188101743 /nfs/dbraw/zinc/10/17/43/188101743.db2.gz YCERKOAASBOHHF-UHFFFAOYSA-N -1 0 224.256 2.185 50 0 BEAARM CC1(C)C=Cc2c(O)c(C=O)ccc2O1 ZINC000014982895 188106353 /nfs/dbraw/zinc/10/63/53/188106353.db2.gz VLHVXYPFWRHKHE-UHFFFAOYSA-N -1 0 204.225 2.389 50 0 BEAARM Cc1cc(N)ccc1-n1cccc1C(=O)[O-] ZINC000047844120 188125047 /nfs/dbraw/zinc/12/50/47/188125047.db2.gz WMBYLHXGULTRCK-UHFFFAOYSA-N -1 0 216.240 2.066 50 0 BEAARM O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000054634108 188126808 /nfs/dbraw/zinc/12/68/08/188126808.db2.gz PRLQSBHXPDYLQU-LBPRGKRZSA-N -1 0 240.686 2.374 50 0 BEAARM COc1ccc2[nH]c(C)c(C(=O)[O-])c2c1 ZINC000000036675 188452619 /nfs/dbraw/zinc/45/26/19/188452619.db2.gz ORUFFPUSVXGKCC-UHFFFAOYSA-N -1 0 205.213 2.183 50 0 BEAARM O=C([O-])c1ncc(Cl)cc1C(F)(F)F ZINC000043828124 188478822 /nfs/dbraw/zinc/47/88/22/188478822.db2.gz WQHJECWXEBZOLJ-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM CC(C)(C)Cn1c(=O)[nH]c2cccc(C(=O)[O-])c21 ZINC000129657330 355811447 /nfs/dbraw/zinc/81/14/47/355811447.db2.gz CILPVTWSVKQFED-UHFFFAOYSA-N -1 0 248.282 2.074 50 0 BEAARM O=C([O-])C1=Cc2ccccc2O[C@H]1C(F)F ZINC000675050265 538472202 /nfs/dbraw/zinc/47/22/02/538472202.db2.gz NBIPOZSDPMAAMG-SECBINFHSA-N -1 0 226.178 2.181 50 0 BEAARM CCCc1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675057911 538481010 /nfs/dbraw/zinc/48/10/10/538481010.db2.gz RFZJKTFQXCBASP-UHFFFAOYSA-N -1 0 220.228 2.320 50 0 BEAARM C[C@@H](Cc1cccc(F)c1F)C(=O)[O-] ZINC000040377513 356689692 /nfs/dbraw/zinc/68/96/92/356689692.db2.gz TVMRJYHAVDILDA-LURJTMIESA-N -1 0 200.184 2.228 50 0 BEAARM CN(C)c1cc(C(=O)[O-])ccc1Br ZINC000212522063 356899770 /nfs/dbraw/zinc/89/97/70/356899770.db2.gz WZUXGTUJJHVLNU-UHFFFAOYSA-N -1 0 244.088 2.213 50 0 BEAARM Cc1ccc(-n2cc(CCC(=O)[O-])cn2)cc1 ZINC000213848670 358742476 /nfs/dbraw/zinc/74/24/76/358742476.db2.gz SGBBUIDPKWLTQN-UHFFFAOYSA-N -1 0 230.267 2.198 50 0 BEAARM CC(C)(C)c1ccc(C(=O)C(=O)[O-])cc1 ZINC000034275603 219818843 /nfs/dbraw/zinc/81/88/43/219818843.db2.gz YOQYYFSVDYBQEW-UHFFFAOYSA-N -1 0 206.241 2.251 50 0 BEAARM CCC[C@](C)(NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000036339496 360934763 /nfs/dbraw/zinc/93/47/63/360934763.db2.gz XMIYWTBLGWWFAQ-LBPRGKRZSA-N -1 0 229.320 2.182 50 0 BEAARM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000036889027 361577534 /nfs/dbraw/zinc/57/75/34/361577534.db2.gz JAFLOKLZEDKDEK-SNVBAGLBSA-N -1 0 241.237 2.014 50 0 BEAARM CCCC[C@@H](CC)C(=O)N[C@H](C)CC(=O)[O-] ZINC000037457878 364041696 /nfs/dbraw/zinc/04/16/96/364041696.db2.gz SGJOUOAHSOFHTD-NXEZZACHSA-N -1 0 229.320 2.182 50 0 BEAARM CCOC(=O)C12CCC(C(=O)[O-])(CC1)CCC2 ZINC000032145706 368375089 /nfs/dbraw/zinc/37/50/89/368375089.db2.gz GCRVQZOJASYKQO-UHFFFAOYSA-N -1 0 240.299 2.365 50 0 BEAARM O=C([O-])c1ccncc1C(=O)c1ccccc1 ZINC000000401320 368546866 /nfs/dbraw/zinc/54/68/66/368546866.db2.gz FMKKUXDBNQVCRO-UHFFFAOYSA-N -1 0 227.219 2.011 50 0 BEAARM Cc1cc([S@](=O)[O-])ccc1Br ZINC000112954688 368881507 /nfs/dbraw/zinc/88/15/07/368881507.db2.gz YJXYCJKKEXMEMO-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM Nc1c(C(=O)[O-])snc1-c1ccccc1 ZINC000033268039 181664415 /nfs/dbraw/zinc/66/44/15/181664415.db2.gz RFVQCWQMQWFMPC-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM Cc1cc(=O)cc(-c2cccc(C(=O)[O-])c2)o1 ZINC000032235468 372165556 /nfs/dbraw/zinc/16/55/56/372165556.db2.gz YJDLITKXSWLYIM-UHFFFAOYSA-N -1 0 230.219 2.313 50 0 BEAARM Cc1cnc(C)c(-c2ccc(C(=O)[O-])cc2)n1 ZINC000032511773 372200356 /nfs/dbraw/zinc/20/03/56/372200356.db2.gz CAGFRHMGWYOTNM-UHFFFAOYSA-N -1 0 228.251 2.459 50 0 BEAARM Cn1nc(C=Cc2ccccc2)c(=O)[n-]c1=S ZINC000039290529 372934149 /nfs/dbraw/zinc/93/41/49/372934149.db2.gz WHMNGJQJCASEHY-BQYQJAHWSA-N -1 0 245.307 2.008 50 0 BEAARM CC(=O)c1cnc2ccccc2c1C(=O)[O-] ZINC000002390462 205457171 /nfs/dbraw/zinc/45/71/71/205457171.db2.gz QAATYLLDIDZHOJ-UHFFFAOYSA-N -1 0 215.208 2.136 50 0 BEAARM O=C([N-]Cc1ccco1)C(Cl)(Cl)Cl ZINC000002167972 182260372 /nfs/dbraw/zinc/26/03/72/182260372.db2.gz GZUJDZNXNULJTC-UHFFFAOYSA-N -1 0 242.489 2.266 50 0 BEAARM O=C([O-])C=Cc1c[nH]nc1-c1ccccc1 ZINC000005615035 182415439 /nfs/dbraw/zinc/41/54/39/182415439.db2.gz KDTWPCUMNLTCRW-SREVYHEPSA-N -1 0 214.224 2.175 50 0 BEAARM O=C([O-])CC1(C(F)(F)F)SCCS1 ZINC000083255201 182431504 /nfs/dbraw/zinc/43/15/04/182431504.db2.gz WYDRKVBAOAEVFH-UHFFFAOYSA-N -1 0 232.248 2.200 50 0 BEAARM O=C([O-])CCc1ccc(C(F)(F)F)cn1 ZINC000095933486 182454171 /nfs/dbraw/zinc/45/41/71/182454171.db2.gz VDRDUBHINNJRDM-UHFFFAOYSA-N -1 0 219.162 2.118 50 0 BEAARM O=C([O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000026514978 182549710 /nfs/dbraw/zinc/54/97/10/182549710.db2.gz SHESNFSYTYOFMU-UHFFFAOYSA-N -1 0 224.166 2.053 50 0 BEAARM O=C([O-])c1c(Cl)cnn1C1CCCC1 ZINC000012357791 182547987 /nfs/dbraw/zinc/54/79/87/182547987.db2.gz PAWGGENWLINYCI-UHFFFAOYSA-N -1 0 214.652 2.350 50 0 BEAARM O=C([O-])c1ccc(=O)n(-c2cccc(Cl)c2)c1 ZINC000043671740 182563989 /nfs/dbraw/zinc/56/39/89/182563989.db2.gz PJFMCUUQPDTFCH-UHFFFAOYSA-N -1 0 249.653 2.189 50 0 BEAARM O=C([O-])c1ccc(COCC(F)(F)F)o1 ZINC000000536413 182566006 /nfs/dbraw/zinc/56/60/06/182566006.db2.gz VASBYXQACGRWKI-UHFFFAOYSA-N -1 0 224.134 2.057 50 0 BEAARM O=C([O-])c1ccc(CSc2ccncn2)cc1 ZINC000035655330 182566489 /nfs/dbraw/zinc/56/64/89/182566489.db2.gz KZHHOIYSUSXIAZ-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=C([O-])c1ccnc(/C=C\c2cncs2)c1 ZINC000336729897 182585226 /nfs/dbraw/zinc/58/52/26/182585226.db2.gz DKMOQULRQPNOSB-UPHRSURJSA-N -1 0 232.264 2.407 50 0 BEAARM O=C([O-])c1cccnc1Sc1ccccn1 ZINC000019508430 182585356 /nfs/dbraw/zinc/58/53/56/182585356.db2.gz ALAPRQXKCRBYQF-UHFFFAOYSA-N -1 0 232.264 2.326 50 0 BEAARM O=C([O-])c1cccc(NC(=O)N2CCCC2)c1 ZINC000032500453 182578220 /nfs/dbraw/zinc/57/82/20/182578220.db2.gz JPELJAHIAMXPKG-UHFFFAOYSA-N -1 0 234.255 2.013 50 0 BEAARM O=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000009517184 182596162 /nfs/dbraw/zinc/59/61/62/182596162.db2.gz GLJYJHLGZYJNJK-UHFFFAOYSA-N -1 0 228.251 2.059 50 0 BEAARM O=c1cc([O-])c2cc(Br)ccc2o1 ZINC000000057985 182997135 /nfs/dbraw/zinc/99/71/35/182997135.db2.gz KNMCTCABMSGXGR-UHFFFAOYSA-N -1 0 241.040 2.261 50 0 in-vitro BEAARM CCCOc1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008997307 169319878 /nfs/dbraw/zinc/31/98/78/169319878.db2.gz JVXWNCNIWCJRRA-UHFFFAOYSA-N -1 0 246.270 2.110 50 0 BEAARM CCCOc1ccc2cc(C(=O)[O-])c(=O)oc2c1 ZINC000011770622 169323478 /nfs/dbraw/zinc/32/34/78/169323478.db2.gz SSTDMTGGXAZVTI-UHFFFAOYSA-N -1 0 248.234 2.280 50 0 BEAARM CC(C)(C)OC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000002391710 166646382 /nfs/dbraw/zinc/64/63/82/166646382.db2.gz OKBNEDPOUYRYNP-UHFFFAOYSA-N -1 0 243.303 2.108 50 0 BEAARM CCCn1c2ccccc2cc(C(=O)[O-])c1=O ZINC000038953459 169611287 /nfs/dbraw/zinc/61/12/87/169611287.db2.gz LTTGTFBQHLVWMM-UHFFFAOYSA-N -1 0 231.251 2.110 50 0 BEAARM Cc1ccc(N)c(C(=O)[O-])c1Br ZINC000000037695 383820053 /nfs/dbraw/zinc/82/00/53/383820053.db2.gz DESUDZIADGQZIJ-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM Cc1cc(C)c2ccc(C(=O)[O-])nc2c1O ZINC000000191086 383841363 /nfs/dbraw/zinc/84/13/63/383841363.db2.gz HNQUASTWMINBKK-UHFFFAOYSA-N -1 0 217.224 2.255 50 0 BEAARM CC1(C)S[C@H](c2ccccc2)N[C@H]1C(=O)[O-] ZINC000000210158 383844229 /nfs/dbraw/zinc/84/42/29/383844229.db2.gz LZDQTBBSEWXLTA-VHSXEESVSA-N -1 0 237.324 2.253 50 0 BEAARM C[C@H](CN(C(=O)c1ccccc1)C1CC1)C(=O)[O-] ZINC000071731005 383880730 /nfs/dbraw/zinc/88/07/30/383880730.db2.gz FEKORTYTHATJSW-SNVBAGLBSA-N -1 0 247.294 2.012 50 0 BEAARM O=C([O-])C1Oc2cc3ccccc3cc2O1 ZINC000000395052 383864549 /nfs/dbraw/zinc/86/45/49/383864549.db2.gz VVXREWCOUSRUAO-UHFFFAOYSA-N -1 0 216.192 2.022 50 0 BEAARM C[C@@H](Cc1cncc2ccccc21)C(=O)[O-] ZINC000087925531 383873202 /nfs/dbraw/zinc/87/32/02/383873202.db2.gz XMFZCMFRPYPBSN-VIFPVBQESA-N -1 0 215.252 2.498 50 0 BEAARM O=C([O-])Cc1ccc(C(F)(F)F)cc1 ZINC000000120057 383829644 /nfs/dbraw/zinc/82/96/44/383829644.db2.gz HNORVZDAANCHAY-UHFFFAOYSA-N -1 0 204.147 2.333 50 0 BEAARM CCC[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000132657 383831017 /nfs/dbraw/zinc/83/10/17/383831017.db2.gz QNGCVTKJHOBMQR-LLVKDONJSA-N -1 0 245.282 2.295 50 0 BEAARM O=C([O-])c1ccc[nH]c1=NNc1ccccc1 ZINC000067172630 383913247 /nfs/dbraw/zinc/91/32/47/383913247.db2.gz ZTFPUVBBAVRNBA-UHFFFAOYSA-N -1 0 229.239 2.219 50 0 BEAARM O=C([O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000088611627 383918772 /nfs/dbraw/zinc/91/87/72/383918772.db2.gz NJIAFDWKXOJCKQ-LLVKDONJSA-N -1 0 206.241 2.279 50 0 BEAARM C[C@](O)(C(=O)[O-])c1cccc2ccccc21 ZINC000001678881 383921626 /nfs/dbraw/zinc/92/16/26/383921626.db2.gz GASZMNCYHARHHI-CYBMUJFWSA-N -1 0 216.236 2.132 50 0 BEAARM O=C([O-])CCC(=O)CCC(=O)c1ccccc1 ZINC000001671412 383921660 /nfs/dbraw/zinc/92/16/60/383921660.db2.gz DCNLNHPQCXZOHD-UHFFFAOYSA-N -1 0 234.251 2.083 50 0 biogenic BEAARM Cc1cc(C)c(C)c(S(=O)(=O)[O-])c1C ZINC000001727346 383931633 /nfs/dbraw/zinc/93/16/33/383931633.db2.gz KJJMOCUMRBSKTE-UHFFFAOYSA-N -1 0 214.286 2.167 50 0 BEAARM CC(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000001728533 383932030 /nfs/dbraw/zinc/93/20/30/383932030.db2.gz UEGUKMUUDSGPDJ-UHFFFAOYSA-N -1 0 247.172 2.362 50 0 BEAARM O=C([O-])CCC(=O)OC/C=C/c1ccccc1 ZINC000003095554 383997386 /nfs/dbraw/zinc/99/73/86/383997386.db2.gz BPDHTMWHCGONPX-QPJJXVBHSA-N -1 0 234.251 2.108 50 0 BEAARM CO[C@@H]1CCCC[C@H]1CCCC(=O)[O-] ZINC000071773681 383999705 /nfs/dbraw/zinc/99/97/05/383999705.db2.gz HJJOXJOKFYPOPJ-VHSXEESVSA-N -1 0 200.278 2.447 50 0 BEAARM O=C([O-])COc1cc(F)ccc1Br ZINC000067801469 383946908 /nfs/dbraw/zinc/94/69/08/383946908.db2.gz LDKGNTPFIVWMGO-UHFFFAOYSA-N -1 0 249.035 2.052 50 0 BEAARM O=C([O-])CCCC(=O)c1cccc(F)c1F ZINC000002378714 383959453 /nfs/dbraw/zinc/95/94/53/383959453.db2.gz UXSXZFMQBCGRRQ-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM O=C([O-])CCSc1cnc2ccccc2n1 ZINC000002508391 383969834 /nfs/dbraw/zinc/96/98/34/383969834.db2.gz QKIAWYGRTJWNMW-UHFFFAOYSA-N -1 0 234.280 2.197 50 0 BEAARM O=C([O-])/C=C\C(=O)Nc1ccc(F)c(Cl)c1 ZINC000004670139 384075319 /nfs/dbraw/zinc/07/53/19/384075319.db2.gz GGEYZZMFXUDNSC-ARJAWSKDSA-N -1 0 243.621 2.058 50 0 BEAARM O=C([O-])CCCC(=O)Nc1ccccc1F ZINC000004794917 384081430 /nfs/dbraw/zinc/08/14/30/384081430.db2.gz UNCMZVMFVUDWFE-UHFFFAOYSA-N -1 0 225.219 2.019 50 0 BEAARM O=C([O-])Cc1cc(F)cc(OC(F)(F)F)c1 ZINC000091252020 384109500 /nfs/dbraw/zinc/10/95/00/384109500.db2.gz LEUVGYUDBIAFFK-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM Cn1nc(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000006677789 384162440 /nfs/dbraw/zinc/16/24/40/384162440.db2.gz GMNCOASQHVLVRX-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM Cn1nc(-c2ccccc2)c(Cl)c1C(=O)[O-] ZINC000072324038 384207410 /nfs/dbraw/zinc/20/74/10/384207410.db2.gz RWIRZKCBAARSEW-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM CCO[N-]C(=O)CSCc1ccc(C)cc1 ZINC000036391525 384208695 /nfs/dbraw/zinc/20/86/95/384208695.db2.gz LPLWVZVWRCLYEY-UHFFFAOYSA-N -1 0 239.340 2.296 50 0 BEAARM C/C=C(\C)C(=O)N[C@H](CCCCC)C(=O)[O-] ZINC000097036362 384293635 /nfs/dbraw/zinc/29/36/35/384293635.db2.gz AVPKRTJGAIGVDG-NAZIUFLLSA-N -1 0 227.304 2.102 50 0 BEAARM CCc1ccc([C@H](C)NC(=O)CCC(=O)[O-])cc1 ZINC000011847629 384297734 /nfs/dbraw/zinc/29/77/34/384297734.db2.gz KGIPVMIHFKTFNM-JTQLQIEISA-N -1 0 249.310 2.291 50 0 BEAARM O=C([O-])CCOc1ccccc1Br ZINC000011888191 384300428 /nfs/dbraw/zinc/30/04/28/384300428.db2.gz YRCVMOJOHSPJGU-UHFFFAOYSA-N -1 0 245.072 2.303 50 0 BEAARM O=C([O-])C1(c2ccccc2Cl)CCOCC1 ZINC000044269654 384325627 /nfs/dbraw/zinc/32/56/27/384325627.db2.gz GFRLHYDLHJNYMU-UHFFFAOYSA-N -1 0 240.686 2.473 50 0 BEAARM CC(=O)N1C[C@H](CCC(=O)[O-])c2ccccc21 ZINC000095829662 384399781 /nfs/dbraw/zinc/39/97/81/384399781.db2.gz XSWZWXKJMUNFPF-JTQLQIEISA-N -1 0 233.267 2.002 50 0 BEAARM O=Cc1cc(F)cc(Br)c1[O-] ZINC000016158646 384452465 /nfs/dbraw/zinc/45/24/65/384452465.db2.gz LRRWJLDTMGYWFO-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM Cc1nc(C(C)(C)C)[nH]c(=S)c1C(=O)[O-] ZINC000015513673 384432347 /nfs/dbraw/zinc/43/23/47/384432347.db2.gz YZKGQBXEDVCEAX-UHFFFAOYSA-N -1 0 226.301 2.069 50 0 BEAARM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccccn1 ZINC000051042749 384484887 /nfs/dbraw/zinc/48/48/87/384484887.db2.gz BWUGWDJYEOEIPY-VIFPVBQESA-N -1 0 243.266 2.348 50 0 BEAARM O=C([O-])Cc1coc(-c2cccs2)n1 ZINC000019723062 384535054 /nfs/dbraw/zinc/53/50/54/384535054.db2.gz KYLXRJJKQSNTHJ-UHFFFAOYSA-N -1 0 209.226 2.030 50 0 BEAARM Cc1cccc2[nH]c(CCCC(=O)[O-])nc21 ZINC000019737056 384535964 /nfs/dbraw/zinc/53/59/64/384535964.db2.gz SPVVTROJTJLEJZ-UHFFFAOYSA-N -1 0 218.256 2.279 50 0 BEAARM O=C([O-])CCCNC(=O)c1cc2ccccc2o1 ZINC000019506955 384526072 /nfs/dbraw/zinc/52/60/72/384526072.db2.gz QOPYEEXBYYASHI-UHFFFAOYSA-N -1 0 247.250 2.027 50 0 BEAARM CCC[C@H](NC(=O)C=C1CCCCC1)C(=O)[O-] ZINC000097039180 384579537 /nfs/dbraw/zinc/57/95/37/384579537.db2.gz BEHPBIIHOMGGLO-NSHDSACASA-N -1 0 239.315 2.246 50 0 BEAARM O=C([O-])CCc1ncc(-c2ccc(F)cc2)o1 ZINC000049786156 384564052 /nfs/dbraw/zinc/56/40/52/384564052.db2.gz XCFZOPRHLRLVDB-UHFFFAOYSA-N -1 0 235.214 2.498 50 0 BEAARM Cc1ccc(OCC(=O)[O-])c2c1[C@H](C)CC2=O ZINC000020281015 384609307 /nfs/dbraw/zinc/60/93/07/384609307.db2.gz FCFFTPZBZQUDFH-MRVPVSSYSA-N -1 0 234.251 2.148 50 0 BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])s2)nc1 ZINC000020357775 384614142 /nfs/dbraw/zinc/61/41/42/384614142.db2.gz QBBNYDUAMBNNIT-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM O=C([O-])[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC000100081647 384616592 /nfs/dbraw/zinc/61/65/92/384616592.db2.gz YNNOFVDQHAHVFG-XYPYZODXSA-N -1 0 206.241 2.066 50 0 BEAARM O=C(C=C([O-])c1ccco1)c1ccccc1O ZINC000100142896 384619425 /nfs/dbraw/zinc/61/94/25/384619425.db2.gz FBSLINXRBOXIAY-UHFFFAOYSA-N -1 0 230.219 2.441 50 0 biogenic BEAARM Cc1cc(Br)c(O)c(C(=O)[O-])c1 ZINC000020593726 384624369 /nfs/dbraw/zinc/62/43/69/384624369.db2.gz POGDQQPHOPNJFP-UHFFFAOYSA-N -1 0 231.045 2.161 50 0 BEAARM O=C([O-])C1(c2ccc(F)cc2F)CCC1 ZINC000080961554 384594284 /nfs/dbraw/zinc/59/42/84/384594284.db2.gz QKVNQFZPTFMULW-UHFFFAOYSA-N -1 0 212.195 2.471 50 0 BEAARM CC[C@H](C)c1ccccc1NC(=O)C(=O)[O-] ZINC000020204822 384600765 /nfs/dbraw/zinc/60/07/65/384600765.db2.gz AYDNFWYGEAPZAQ-QMMMGPOBSA-N -1 0 221.256 2.223 50 0 BEAARM CCOc1ccc2[nH]cc(C(=O)[O-])c2c1 ZINC000071487591 384641063 /nfs/dbraw/zinc/64/10/63/384641063.db2.gz IQFSHMJXPBKVBM-UHFFFAOYSA-N -1 0 205.213 2.265 50 0 BEAARM CNc1cc(Br)ccc1C(=O)[O-] ZINC000082296444 384661935 /nfs/dbraw/zinc/66/19/35/384661935.db2.gz TYGBJEHMJNCALX-UHFFFAOYSA-N -1 0 230.061 2.189 50 0 BEAARM O=C([O-])c1ccsc1NC(=O)c1ccco1 ZINC000021965168 384712368 /nfs/dbraw/zinc/71/23/68/384712368.db2.gz JJFBVNZFVVCZPM-UHFFFAOYSA-N -1 0 237.236 2.292 50 0 BEAARM O=C([O-])C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000022166698 384739958 /nfs/dbraw/zinc/73/99/58/384739958.db2.gz VXGFACIYULBZRD-UHFFFAOYSA-N -1 0 233.050 2.190 50 0 BEAARM Cc1ccc(N2CCCC2)c(C(=O)[O-])c1 ZINC000052981656 384757781 /nfs/dbraw/zinc/75/77/81/384757781.db2.gz RZFSNMBESKENTH-UHFFFAOYSA-N -1 0 205.257 2.293 50 0 BEAARM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccccc1 ZINC000083985837 384824765 /nfs/dbraw/zinc/82/47/65/384824765.db2.gz CQPIDJWURGPHPG-MNOVXSKESA-N -1 0 205.257 2.352 50 0 BEAARM O=Cc1c(OCC(=O)[O-])ccc2ccccc21 ZINC000026506129 384876168 /nfs/dbraw/zinc/87/61/68/384876168.db2.gz KPXVRLWYIOYSPZ-UHFFFAOYSA-N -1 0 230.219 2.116 50 0 BEAARM CC(=O)Nc1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000057347570 384937944 /nfs/dbraw/zinc/93/79/44/384937944.db2.gz GYPFTMSMFHHGSY-UHFFFAOYSA-N -1 0 235.283 2.397 50 0 BEAARM O=C([O-])c1cc(Cl)c(C(F)(F)F)cn1 ZINC000085436260 384944504 /nfs/dbraw/zinc/94/45/04/384944504.db2.gz DHNYXJDRUJMSSC-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1c(Cl)nccc1Br ZINC000086016280 384981404 /nfs/dbraw/zinc/98/14/04/384981404.db2.gz WXSVIABMUKWVTC-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM Cc1cccc(CSc2nnc(C)c(=O)[n-]2)c1 ZINC000018203404 385000176 /nfs/dbraw/zinc/00/01/76/385000176.db2.gz ZBYJXTOTCHPBIQ-UHFFFAOYSA-N -1 0 247.323 2.486 50 0 BEAARM O=C([O-])/C=C\c1ccc(OC(F)F)cc1 ZINC000006132666 385049085 /nfs/dbraw/zinc/04/90/85/385049085.db2.gz OWLKYWTYLFJOGX-UTCJRWHESA-N -1 0 214.167 2.386 50 0 BEAARM O=Cc1oc2ccccc2c1SCC(=O)[O-] ZINC000032918555 385190862 /nfs/dbraw/zinc/19/08/62/385190862.db2.gz JELFCJVKECHRLW-UHFFFAOYSA-N -1 0 236.248 2.422 50 0 BEAARM Cc1nc(-c2ccc(F)cc2)oc1CC(=O)[O-] ZINC000032918997 385192335 /nfs/dbraw/zinc/19/23/35/385192335.db2.gz GAOANHVMKXSMEG-UHFFFAOYSA-N -1 0 235.214 2.416 50 0 BEAARM Cn1ccc2cc(/C=C/C(=O)[O-])ccc21 ZINC000063772495 385238707 /nfs/dbraw/zinc/23/87/07/385238707.db2.gz IZZVPUQKWOCNSS-HWKANZROSA-N -1 0 201.225 2.276 50 0 BEAARM O=C([O-])c1ccc(-c2ccc(O)cc2)nc1 ZINC000065347120 385300904 /nfs/dbraw/zinc/30/09/04/385300904.db2.gz OSDLQWLUHYXQKU-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000020085909 385412742 /nfs/dbraw/zinc/41/27/42/385412742.db2.gz VPRXFPRQOVSPAO-VOTSOKGWSA-N -1 0 239.658 2.309 50 0 BEAARM CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000169725149 385416355 /nfs/dbraw/zinc/41/63/55/385416355.db2.gz VELUJTFULRIQGK-UHFFFAOYSA-N -1 0 229.235 2.496 50 0 BEAARM CC[C@@H](C)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020204639 385440246 /nfs/dbraw/zinc/44/02/46/385440246.db2.gz LJTGMRFXTVRJOY-MRVPVSSYSA-N -1 0 221.256 2.223 50 0 BEAARM CNc1cc(C)nc(-c2ccc(C(=O)[O-])s2)n1 ZINC000215916636 385852957 /nfs/dbraw/zinc/85/29/57/385852957.db2.gz BWBCWQBNDGGWJM-UHFFFAOYSA-N -1 0 249.295 2.253 50 0 BEAARM Nc1cncc(-c2ncc(C(=O)[O-])cc2Cl)c1 ZINC000216461645 385866374 /nfs/dbraw/zinc/86/63/74/385866374.db2.gz UYDNKRSCVRRUEL-UHFFFAOYSA-N -1 0 249.657 2.077 50 0 BEAARM C/C=C(\C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000221928143 386024800 /nfs/dbraw/zinc/02/48/00/386024800.db2.gz SWGUOEYNUKOZPE-YCRREMRBSA-N -1 0 233.267 2.218 50 0 BEAARM O=C([O-])Cc1csc(C2CCCC2)n1 ZINC000037756483 386102054 /nfs/dbraw/zinc/10/20/54/386102054.db2.gz RELITADUORNXHA-UHFFFAOYSA-N -1 0 211.286 2.428 50 0 BEAARM O=C([O-])[C@H](O)c1c(F)ccc(Cl)c1Cl ZINC000263623969 386157581 /nfs/dbraw/zinc/15/75/81/386157581.db2.gz MGQIBPKRJHSKQL-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM CC1(C)C(C(=O)NCCCCC(=O)[O-])C1(C)C ZINC000091482231 386300992 /nfs/dbraw/zinc/30/09/92/386300992.db2.gz OTYKGKXROFCPMP-UHFFFAOYSA-N -1 0 241.331 2.040 50 0 BEAARM CC(C)CO[C@@H]1C(=O)CCC[C@@H]1CCC(=O)[O-] ZINC000004181829 386265698 /nfs/dbraw/zinc/26/56/98/386265698.db2.gz IGZDTIAVSQHVMM-MFKMUULPSA-N -1 0 242.315 2.262 50 0 BEAARM O=C([O-])CCCC(=O)N1CCCCCCC1 ZINC000034937262 386726582 /nfs/dbraw/zinc/72/65/82/386726582.db2.gz AIJFECXCXIWEMG-UHFFFAOYSA-N -1 0 227.304 2.034 50 0 BEAARM O=C([O-])c1nccnc1SCc1ccccc1 ZINC000054553828 386831118 /nfs/dbraw/zinc/83/11/18/386831118.db2.gz OMNDPRPCKFNBNP-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=[P@@]([O-])(O)CCCCc1ccccc1 ZINC000026893607 387027563 /nfs/dbraw/zinc/02/75/63/387027563.db2.gz PJOFGDOSMWTOOQ-UHFFFAOYSA-N -1 0 214.201 2.187 50 0 BEAARM C[C@]1(c2cc(F)ccc2F)C[C@H]1C(=O)[O-] ZINC000049815100 387080947 /nfs/dbraw/zinc/08/09/47/387080947.db2.gz HVVFKZKWIQXEFG-GZMMTYOYSA-N -1 0 212.195 2.327 50 0 BEAARM O=C([O-])Cc1coc2cc(F)cc(F)c12 ZINC000075882444 387155491 /nfs/dbraw/zinc/15/54/91/387155491.db2.gz HTVJZZLRYRMVFK-UHFFFAOYSA-N -1 0 212.151 2.338 50 0 BEAARM O=S(=O)([O-])c1csc2ccccc21 ZINC000059206949 387264459 /nfs/dbraw/zinc/26/44/59/387264459.db2.gz WPDGZGLZEMZUIG-UHFFFAOYSA-N -1 0 214.267 2.148 50 0 BEAARM O=C([O-])c1ccc(C(F)(F)C(F)(F)F)nc1 ZINC000066327879 387265784 /nfs/dbraw/zinc/26/57/84/387265784.db2.gz PHYOUGJZMQDUQX-UHFFFAOYSA-N -1 0 241.115 2.434 50 0 BEAARM C[C@@H]1CCC2=C(C(=O)CC2)[C@@]1(C)C(=O)[O-] ZINC000045071831 387275975 /nfs/dbraw/zinc/27/59/75/387275975.db2.gz ULYLFVXIUJLLQN-KRTXAFLBSA-N -1 0 208.257 2.167 50 0 BEAARM O=C([O-])Cc1cccc(CC(F)(F)F)c1 ZINC000079627793 387374809 /nfs/dbraw/zinc/37/48/09/387374809.db2.gz JFXAFPPOYSDSCR-UHFFFAOYSA-N -1 0 218.174 2.419 50 0 BEAARM O=C([O-])Cc1c[nH]c2cccc(Cl)c12 ZINC000000407973 387440585 /nfs/dbraw/zinc/44/05/85/387440585.db2.gz WNCFBCKZRJDRKZ-UHFFFAOYSA-N -1 0 209.632 2.448 50 0 endogenous,in-man BEAARM Cc1nc(-c2ccccc2)[nH]c(=S)c1C(=O)[O-] ZINC000006759614 387883558 /nfs/dbraw/zinc/88/35/58/387883558.db2.gz OIMZRUPPRUNUGF-UHFFFAOYSA-N -1 0 246.291 2.439 50 0 BEAARM CCC[C@@](C)(NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000036339498 387914767 /nfs/dbraw/zinc/91/47/67/387914767.db2.gz XMIYWTBLGWWFAQ-GFCCVEGCSA-N -1 0 229.320 2.182 50 0 BEAARM C[C@]1(O)C[C@@H](c2ccccc2)S[C@H]1C(=O)[O-] ZINC000245257278 387943344 /nfs/dbraw/zinc/94/33/44/387943344.db2.gz YMQZLPSBXBXWNW-NHCYSSNCSA-N -1 0 238.308 2.069 50 0 BEAARM CC(C)c1ncc(Br)c(C(=O)[O-])n1 ZINC000058041911 388373107 /nfs/dbraw/zinc/37/31/07/388373107.db2.gz ZRKAYXAEJJRSBK-UHFFFAOYSA-N -1 0 245.076 2.061 50 0 BEAARM O=C([O-])c1nn(-c2nccs2)c2ccccc21 ZINC000067783794 388407431 /nfs/dbraw/zinc/40/74/31/388407431.db2.gz OGGJNDUQFTXDJS-UHFFFAOYSA-N -1 0 245.263 2.180 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000114924630 388589835 /nfs/dbraw/zinc/58/98/35/388589835.db2.gz AOJXKOSBUVHAIA-HTQZYQBOSA-N -1 0 243.303 2.010 50 0 BEAARM O=C([O-])CCC(=O)c1cc(Cl)ccc1O ZINC000005567788 388682066 /nfs/dbraw/zinc/68/20/66/388682066.db2.gz YBSVOTYKOZVOIJ-UHFFFAOYSA-N -1 0 228.631 2.093 50 0 BEAARM CC(C)Cc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000095955705 388794541 /nfs/dbraw/zinc/79/45/41/388794541.db2.gz WDOXFEXFAKFIOO-JTQLQIEISA-N -1 0 249.310 2.088 50 0 BEAARM CC1CCN(c2ccc(C(=O)[O-])cc2N)CC1 ZINC000000793218 132313979 /nfs/dbraw/zinc/31/39/79/132313979.db2.gz ZKGWKGQECYCNOZ-UHFFFAOYSA-N -1 0 234.299 2.203 50 0 BEAARM O=C([O-])Cc1scnc1-c1ccccc1 ZINC000020439159 397965165 /nfs/dbraw/zinc/96/51/65/397965165.db2.gz JSYNROPGKZVGRJ-UHFFFAOYSA-N -1 0 219.265 2.437 50 0 BEAARM C[C@H](c1ccccc1)n1cncc1C(=O)[O-] ZINC000034781187 398015243 /nfs/dbraw/zinc/01/52/43/398015243.db2.gz RGYCCBLTSWHXIS-SECBINFHSA-N -1 0 216.240 2.191 50 0 in-vitro BEAARM O=[P@@]([O-])(O)Cc1ccccc1C(F)(F)F ZINC000034746106 398015439 /nfs/dbraw/zinc/01/54/39/398015439.db2.gz LJNXXFOSZJOZKN-UHFFFAOYSA-N -1 0 240.117 2.383 50 0 BEAARM O=[S@@]([O-])c1c(F)ccc(F)c1Cl ZINC000066318981 398040008 /nfs/dbraw/zinc/04/00/08/398040008.db2.gz JXIPOXLJECTMLB-UHFFFAOYSA-N -1 0 212.604 2.199 50 0 BEAARM CC(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000239153 166771918 /nfs/dbraw/zinc/77/19/18/166771918.db2.gz ZOQRJGXJOBCVTD-UHFFFAOYSA-N -1 0 221.256 2.369 50 0 BEAARM CC(C)OCCOc1ccc(C(=O)[O-])cc1 ZINC000014608634 167249077 /nfs/dbraw/zinc/24/90/77/167249077.db2.gz HGIXZCBBVHOKHZ-UHFFFAOYSA-N -1 0 224.256 2.189 50 0 BEAARM CC(C)Oc1ccc(CCC(=O)[O-])cc1 ZINC000022611077 167292468 /nfs/dbraw/zinc/29/24/68/167292468.db2.gz YMSXOGLLGCFBNH-UHFFFAOYSA-N -1 0 208.257 2.491 50 0 BEAARM CCO[N-]C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000049346464 411230979 /nfs/dbraw/zinc/23/09/79/411230979.db2.gz RZWARJJZDJLAAD-OLZOCXBDSA-N -1 0 249.310 2.222 50 0 BEAARM CC/C=C(\C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000221913522 167837396 /nfs/dbraw/zinc/83/73/96/167837396.db2.gz OLKKFABDSLROCQ-YPUOHESYSA-N -1 0 227.304 2.102 50 0 BEAARM CC1=CC[C@@H]([C@@]2(C)CC(C(=O)[O-])=NO2)CC1 ZINC000039402906 168119246 /nfs/dbraw/zinc/11/92/46/168119246.db2.gz BVSRPFFUJYAQCM-BXKDBHETSA-N -1 0 223.272 2.352 50 0 BEAARM Cc1cc(=O)n(-c2ccc3cccc(O)c3n2)[n-]1 ZINC000000175224 168133339 /nfs/dbraw/zinc/13/33/39/168133339.db2.gz IOKQCNDJCWGRCC-UHFFFAOYSA-N -1 0 241.250 2.053 50 0 BEAARM CC1=NN(CCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000004210467 168134126 /nfs/dbraw/zinc/13/41/26/168134126.db2.gz WZYWCUCEJOQUKY-LBPRGKRZSA-N -1 0 232.283 2.284 50 0 BEAARM CCO/C([O-])=C/c1nc2ccccc2oc1=O ZINC000101635119 170179189 /nfs/dbraw/zinc/17/91/89/170179189.db2.gz CUZFOQDHPGFTQR-YRNVUSSQSA-N -1 0 233.223 2.081 50 0 BEAARM CCOC(=O)C(C)=C([O-])c1ccccc1 ZINC000001694341 170264006 /nfs/dbraw/zinc/26/40/06/170264006.db2.gz RAWGHPXIJSCHFZ-SECBINFHSA-N -1 0 206.241 2.069 50 0 BEAARM CCOC(=O)C1=C([O-])c2ccccc2SC1 ZINC000071773711 170282332 /nfs/dbraw/zinc/28/23/32/170282332.db2.gz CZMPMGZGVDXHHO-VIFPVBQESA-N -1 0 236.292 2.154 50 0 BEAARM CCOCC(=O)Nc1cccc(Cl)c1[O-] ZINC000095431062 170349112 /nfs/dbraw/zinc/34/91/12/170349112.db2.gz PTDABZFVWPXJCY-UHFFFAOYSA-N -1 0 229.663 2.021 50 0 BEAARM CCOCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000077011220 170363705 /nfs/dbraw/zinc/36/37/05/170363705.db2.gz QIQIBKVAIPUSQQ-UHFFFAOYSA-N -1 0 243.690 2.411 50 0 BEAARM CC[C@H](C(=O)[O-])[S@](=O)c1ccc(C)cc1C ZINC000040956093 171238770 /nfs/dbraw/zinc/23/87/70/171238770.db2.gz IXWMFKMASUOWMS-QLJPJBMISA-N -1 0 240.324 2.274 50 0 BEAARM CCc1ccc(S(=O)(=O)[O-])c(C(C)(C)C)n1 ZINC000071404331 171828120 /nfs/dbraw/zinc/82/81/20/171828120.db2.gz UBWVVTVZLJNJEQ-UHFFFAOYSA-N -1 0 243.328 2.188 50 0 BEAARM CCc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000000874584 172013698 /nfs/dbraw/zinc/01/36/98/172013698.db2.gz LCCOHRNGRLWANS-QMMMGPOBSA-N -1 0 218.256 2.244 50 0 BEAARM CCc1ncc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000032918578 172016237 /nfs/dbraw/zinc/01/62/37/172016237.db2.gz RVZONKHMIVJARE-UHFFFAOYSA-N -1 0 228.251 2.404 50 0 BEAARM CCc1n[n-]c(=NC(=O)OCC(C)C)s1 ZINC000005341844 172057761 /nfs/dbraw/zinc/05/77/61/172057761.db2.gz JCRMBMBCBLRHSX-UHFFFAOYSA-N -1 0 229.305 2.305 50 0 BEAARM CCn1c(=O)c2cc(C)sc2[n-]c1=S ZINC000012394432 172148126 /nfs/dbraw/zinc/14/81/26/172148126.db2.gz GEBAIIFLBDDNRD-UHFFFAOYSA-N -1 0 226.326 2.075 50 0 BEAARM CCn1cc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000008133027 172156698 /nfs/dbraw/zinc/15/66/98/172156698.db2.gz XEFYMLLIHKHXDY-UHFFFAOYSA-N -1 0 216.240 2.268 50 0 BEAARM CCn1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000012396559 172255794 /nfs/dbraw/zinc/25/57/94/172255794.db2.gz KVOJFHZWBXRJGZ-UHFFFAOYSA-N -1 0 231.255 2.027 50 0 BEAARM COC(=O)C=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000000153858 173522561 /nfs/dbraw/zinc/52/25/61/173522561.db2.gz NMJOILIYLOHXGP-UHFFFAOYSA-N -1 0 246.184 2.451 50 0 BEAARM COCCSc1ccccc1C(=O)[O-] ZINC000008469327 174377495 /nfs/dbraw/zinc/37/74/95/174377495.db2.gz GBMHWQFSICHVDF-UHFFFAOYSA-N -1 0 212.270 2.123 50 0 BEAARM CO[N-]C(=O)C1(c2cc(C)cc(C)c2)CCC1 ZINC000058835213 174662481 /nfs/dbraw/zinc/66/24/81/174662481.db2.gz PPJPTAAFMWXKDR-UHFFFAOYSA-N -1 0 233.311 2.403 50 0 BEAARM COc1c(F)cc(C(=O)[O-])cc1Cl ZINC000002527787 174931418 /nfs/dbraw/zinc/93/14/18/174931418.db2.gz FDWCHZNFULHBCP-UHFFFAOYSA-N -1 0 204.584 2.186 50 0 BEAARM COc1cc(CCC(=O)[O-])ccc1OC(C)C ZINC000008019416 174977685 /nfs/dbraw/zinc/97/76/85/174977685.db2.gz RLAQRGMUUSGHQC-UHFFFAOYSA-N -1 0 238.283 2.500 50 0 biogenic BEAARM COc1cc2ccccc2cc1S(=O)(=O)[O-] ZINC000003020625 175027030 /nfs/dbraw/zinc/02/70/30/175027030.db2.gz VKEKLUJYMOLLOD-UHFFFAOYSA-N -1 0 238.264 2.095 50 0 BEAARM COc1cc2sc(C(=O)[O-])nc2cc1F ZINC000079047696 175028794 /nfs/dbraw/zinc/02/87/94/175028794.db2.gz XTVNTNKBXWSLTD-UHFFFAOYSA-N -1 0 227.216 2.142 50 0 BEAARM COc1ccc(-c2ccc(C(=O)[O-])cc2)cn1 ZINC000006715199 175032422 /nfs/dbraw/zinc/03/24/22/175032422.db2.gz XFWSADQKNXINOK-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(-c2ocnc2C(=O)[O-])cc1OC ZINC000020442783 175043121 /nfs/dbraw/zinc/04/31/21/175043121.db2.gz ZMWIKEPCGCDJQP-UHFFFAOYSA-N -1 0 249.222 2.057 50 0 BEAARM COc1ccc(-c2nocc2CCC(=O)[O-])cc1 ZINC000169676740 175043135 /nfs/dbraw/zinc/04/31/35/175043135.db2.gz QUIVPFMPMDPZMZ-UHFFFAOYSA-N -1 0 247.250 2.367 50 0 BEAARM COc1ccc(-c2oncc2C(=O)[O-])cc1 ZINC000002541939 175043548 /nfs/dbraw/zinc/04/35/48/175043548.db2.gz HPEZVZPKULUSDI-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccc(Br)cc1CC(=O)[O-] ZINC000004237854 175051223 /nfs/dbraw/zinc/05/12/23/175051223.db2.gz BBHBUJQFVCMESB-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 in-vitro BEAARM COc1ccc(C(=O)CCCC(=O)[O-])cc1C ZINC000011631178 175053810 /nfs/dbraw/zinc/05/38/10/175053810.db2.gz SHQLJSBDGHUATC-UHFFFAOYSA-N -1 0 236.267 2.441 50 0 BEAARM COc1ccc(C(=O)[O-])cc1Br ZINC000000156527 175064297 /nfs/dbraw/zinc/06/42/97/175064297.db2.gz BBPZABXVRBFWGD-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM COc1ccc(CC(=O)[O-])cc1Br ZINC000000391539 175087293 /nfs/dbraw/zinc/08/72/93/175087293.db2.gz POTVGQUUEQTPNA-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 BEAARM COc1ccc2c(c1)nc(C)cc2C(=O)[O-] ZINC000019088400 175204112 /nfs/dbraw/zinc/20/41/12/175204112.db2.gz LZTXZKFXJBYRGT-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM COc1ccc2nc(C(=O)[O-])sc2c1 ZINC000000340142 175228054 /nfs/dbraw/zinc/22/80/54/175228054.db2.gz JDKMYJZEGZZJOH-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM COc1cccc(C(=O)CCCC(=O)[O-])c1 ZINC000004268401 175242856 /nfs/dbraw/zinc/24/28/56/175242856.db2.gz LMMKFQCREXZAJN-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM COc1cccc2c1N[C@H](C(=O)[O-])[C@H]1C=CC[C@@H]21 ZINC000226535746 175303827 /nfs/dbraw/zinc/30/38/27/175303827.db2.gz OJDYITLUNFCOOS-FWDPORAESA-N -1 0 245.278 2.234 50 0 BEAARM COc1ccccc1-n1c(C)n[n-]c1=S ZINC000006534005 175313151 /nfs/dbraw/zinc/31/31/51/175313151.db2.gz CKAPERUSCNSKPS-UHFFFAOYSA-N -1 0 221.285 2.247 50 0 BEAARM C[C@@H](c1ccccc1)n1cnc(C(=O)[O-])c1 ZINC000082535205 176023553 /nfs/dbraw/zinc/02/35/53/176023553.db2.gz IYDKQZOOBBIDAS-VIFPVBQESA-N -1 0 216.240 2.191 50 0 BEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000095642967 176221032 /nfs/dbraw/zinc/22/10/32/176221032.db2.gz TZCMQIKRCZLVQN-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@@H]1CCc2cccc3c([O-])cc(=O)n1c23 ZINC000100631078 176240398 /nfs/dbraw/zinc/24/03/98/176240398.db2.gz RIBPAGAFDHWHFK-MRVPVSSYSA-N -1 0 215.252 2.214 50 0 BEAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1ccccc1 ZINC000039135754 176527074 /nfs/dbraw/zinc/52/70/74/176527074.db2.gz OFNWTLAASXRJGP-AWEZNQCLSA-N -1 0 247.294 2.156 50 0 BEAARM C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000072341363 177021780 /nfs/dbraw/zinc/02/17/80/177021780.db2.gz OKTOGTFKLDRTOB-VKHMYHEASA-N -1 0 238.136 2.095 50 0 BEAARM C[C@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC000002581483 177022410 /nfs/dbraw/zinc/02/24/10/177022410.db2.gz IWXNSVLXICBLHY-LURJTMIESA-N -1 0 245.072 2.301 50 0 BEAARM C[C@H](Oc1ccc(C=O)cc1Cl)C(=O)[O-] ZINC000019093942 177022512 /nfs/dbraw/zinc/02/25/12/177022512.db2.gz SAVVSCSPGUVHDO-LURJTMIESA-N -1 0 228.631 2.004 50 0 BEAARM C[C@H](Oc1cccc(Br)c1)C(=O)[O-] ZINC000000064812 177023169 /nfs/dbraw/zinc/02/31/69/177023169.db2.gz CVTUTWGZPGJAQL-LURJTMIESA-N -1 0 245.072 2.301 50 0 BEAARM C[C@H](Oc1ccccc1Cl)C(=O)[O-] ZINC000000155409 177024803 /nfs/dbraw/zinc/02/48/03/177024803.db2.gz ZGWNXHRVUJVMCP-LURJTMIESA-N -1 0 200.621 2.192 50 0 BEAARM C[C@H](Oc1ncccc1C(=O)[O-])C(F)(F)F ZINC000085421424 177024882 /nfs/dbraw/zinc/02/48/82/177024882.db2.gz KHLUBIQGNSAIDB-YFKPBYRVSA-N -1 0 235.161 2.109 50 0 BEAARM C[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000098095693 177355028 /nfs/dbraw/zinc/35/50/28/177355028.db2.gz JYCRXMSJGZWACP-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@](O)(CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000003995752 177447505 /nfs/dbraw/zinc/44/75/05/177447505.db2.gz RMKDKRYJMQILNF-HWMFUMESSA-N -1 0 238.327 2.429 50 0 BEAARM Cc1c(C(=O)[O-])sc2[nH]cnc(=S)c12 ZINC000031933498 177573478 /nfs/dbraw/zinc/57/34/78/177573478.db2.gz OBXBUTPDWFATHD-UHFFFAOYSA-N -1 0 226.282 2.361 50 0 BEAARM Cc1c(C)n(C[C@@H](O)CC(=O)[O-])c2ccccc12 ZINC000013567034 177577099 /nfs/dbraw/zinc/57/70/99/177577099.db2.gz CJQMWFKWGLWRBC-NSHDSACASA-N -1 0 247.294 2.094 50 0 BEAARM Cc1ccc(C(=S)SCC(=O)[O-])cc1 ZINC000032172222 487945022 /nfs/dbraw/zinc/94/50/22/487945022.db2.gz PXOOGAWEPXWIRV-UHFFFAOYSA-N -1 0 226.322 2.488 50 0 BEAARM COc1ccc(C(=O)[O-])nc1-c1cccc(O)c1 ZINC000534646024 323156787 /nfs/dbraw/zinc/15/67/87/323156787.db2.gz TZQLXUHOQQUDJB-UHFFFAOYSA-N -1 0 245.234 2.161 50 0 BEAARM Cc1n[nH]c(C)c1-c1cccc(OCC(=O)[O-])c1 ZINC000534661397 323159050 /nfs/dbraw/zinc/15/90/50/323159050.db2.gz HUCVPDNUFNJIKX-UHFFFAOYSA-N -1 0 246.266 2.157 50 0 BEAARM Cc1c(-c2cc(C(=O)[O-])ccc2F)cnn1C ZINC000235835288 488024065 /nfs/dbraw/zinc/02/40/65/488024065.db2.gz HKWBQJVXBFVSGR-UHFFFAOYSA-N -1 0 234.230 2.233 50 0 BEAARM O=C([O-])Cc1ccc(Br)c(F)c1 ZINC000071787933 490277921 /nfs/dbraw/zinc/27/79/21/490277921.db2.gz PSICSVFGBAGWMZ-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM CC(C)(C)OCc1ncc(C(=O)[O-])s1 ZINC000757120653 582496442 /nfs/dbraw/zinc/49/64/42/582496442.db2.gz DLVBQZIBUYFSNB-UHFFFAOYSA-N -1 0 215.274 2.156 50 0 BEAARM COc1cncc(-c2ccc(C(=O)[O-])o2)c1 ZINC000034924659 524914590 /nfs/dbraw/zinc/91/45/90/524914590.db2.gz JSWGSUOULQJBJX-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM O=C([O-])c1cnc(CC2CCCCC2)nc1 ZINC000082365311 566380025 /nfs/dbraw/zinc/38/00/25/566380025.db2.gz AXDMCZXFMBCTLU-UHFFFAOYSA-N -1 0 220.272 2.298 50 0 BEAARM O=C([O-])C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000258366634 582703839 /nfs/dbraw/zinc/70/38/39/582703839.db2.gz ZQPCYRIMGOURKX-UHFFFAOYSA-N -1 0 236.120 2.112 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(C)oc1C ZINC000020475444 583126925 /nfs/dbraw/zinc/12/69/25/583126925.db2.gz GPKRGDJMWKJLNF-UHFFFAOYSA-N -1 0 210.229 2.032 50 0 BEAARM CC(C)[C@](C)(CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000238203022 642796045 /nfs/dbraw/zinc/79/60/45/642796045.db2.gz PSTAFIGHNPLGIN-LBPRGKRZSA-N -1 0 245.319 2.401 50 0 BEAARM C[C@@H]1CCC[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000086678876 644163999 /nfs/dbraw/zinc/16/39/99/644163999.db2.gz IDFDGFSMIICWGS-PRHODGIISA-N -1 0 243.303 2.155 50 0 BEAARM CCC[C@@H](CC(=O)[O-])NC(=O)/C=C(/C)C1CC1 ZINC000195551311 644395203 /nfs/dbraw/zinc/39/52/03/644395203.db2.gz FSYMCYCXWUJUSN-DVBBHNHCSA-N -1 0 239.315 2.102 50 0 BEAARM CC(C)CO[C@@H](C)C(=O)[N-]Oc1ccccc1 ZINC000585109983 1168621374 /nfs/dbraw/zinc/62/13/74/1168621374.db2.gz AHKMPYOBOCBJDW-NSHDSACASA-N -1 0 237.299 2.158 50 0 BEAARM CSC[C@H](C)C(=O)[N-]Oc1ccc(F)cc1 ZINC000585130676 972167820 /nfs/dbraw/zinc/16/78/20/972167820.db2.gz YONNLXUDSPRVCV-QMMMGPOBSA-N -1 0 243.303 2.235 50 0 BEAARM O=C([O-])CCOc1c(F)cccc1Cl ZINC000166812759 968166995 /nfs/dbraw/zinc/16/69/95/968166995.db2.gz PLPOCQPLQSHUBI-UHFFFAOYSA-N -1 0 218.611 2.333 50 0 BEAARM O=C([O-])c1cc2cc(C(F)(F)F)c[nH]c-2n1 ZINC000071289186 398145652 /nfs/dbraw/zinc/14/56/52/398145652.db2.gz FBBGQODGGJJBTK-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM Cc1cc(CSc2n[nH]c(=O)[n-]2)c(C)s1 ZINC000194629124 178053765 /nfs/dbraw/zinc/05/37/65/178053765.db2.gz JXIJFTGCQHVXPQ-UHFFFAOYSA-N -1 0 241.341 2.481 50 0 BEAARM Cc1cc(Cl)cc(C)c1OCC(=O)[O-] ZINC000003308327 178063691 /nfs/dbraw/zinc/06/36/91/178063691.db2.gz ZUQUKAZRAFLJAZ-UHFFFAOYSA-N -1 0 214.648 2.420 50 0 BEAARM O=C([O-])C1(c2ccc(Cl)nc2)CCC1 ZINC000075089111 398215140 /nfs/dbraw/zinc/21/51/40/398215140.db2.gz TWKUGMFRFVOEEU-UHFFFAOYSA-N -1 0 211.648 2.241 50 0 BEAARM Cc1cc(O)c(C=O)cc1Br ZINC000004290803 178196434 /nfs/dbraw/zinc/19/64/34/178196434.db2.gz QEXAZOMOZUCOGO-UHFFFAOYSA-N -1 0 215.046 2.276 50 0 BEAARM Cc1cc(=O)n2nc(C3CCCCC3)[n-]c2n1 ZINC000096781118 178201224 /nfs/dbraw/zinc/20/12/24/178201224.db2.gz AITODUJXOOLUHE-UHFFFAOYSA-N -1 0 232.287 2.186 50 0 BEAARM Cc1cc(OCC(=O)[O-])ccc1Cl ZINC000000038647 178209828 /nfs/dbraw/zinc/20/98/28/178209828.db2.gz FBGYNJKXMKWETB-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM Cc1cc([C@@H]2C([O-])=CC(=O)CC2(C)C)on1 ZINC000103546633 178239660 /nfs/dbraw/zinc/23/96/60/178239660.db2.gz PMCIEXIFDVFAMQ-NSHDSACASA-N -1 0 221.256 2.025 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])on2)cc1 ZINC000020264893 178318719 /nfs/dbraw/zinc/31/87/19/178318719.db2.gz QHISGBCCUGZEEN-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1C ZINC000006849143 178319068 /nfs/dbraw/zinc/31/90/68/178319068.db2.gz KLZBOPQBGJBTRD-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])nn2C)cc1C ZINC000011801692 178319338 /nfs/dbraw/zinc/31/93/38/178319338.db2.gz IXXHFHRGMPWAKN-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)o1 ZINC000048603452 178337038 /nfs/dbraw/zinc/33/70/38/178337038.db2.gz UNZNFBNEWJIFGH-UHFFFAOYSA-N -1 0 226.235 2.492 50 0 BEAARM Cc1ccc(-c2n[nH]c(=S)[n-]c2=O)cc1 ZINC000003888557 178339363 /nfs/dbraw/zinc/33/93/63/178339363.db2.gz ZHWHQITXIZRAGM-UHFFFAOYSA-N -1 0 219.269 2.215 50 0 BEAARM Cc1ccc(-c2nnc(C(=O)[O-])s2)cc1 ZINC000083304389 178339858 /nfs/dbraw/zinc/33/98/58/178339858.db2.gz VKKMWOJPVGDARR-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM Cc1ccc(-n2cccc2)cc1C(=O)[O-] ZINC000005896662 178347651 /nfs/dbraw/zinc/34/76/51/178347651.db2.gz LQLMUTQFOXUZDO-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2C2CC2)cc1 ZINC000011888098 178349255 /nfs/dbraw/zinc/34/92/55/178349255.db2.gz NWCQWSZPGGUHFP-UHFFFAOYSA-N -1 0 243.266 2.151 50 0 BEAARM O=[S@@]([O-])c1sccc1Br ZINC000034122130 538953474 /nfs/dbraw/zinc/95/34/74/538953474.db2.gz LWQSTXOXONVTGC-UHFFFAOYSA-N -1 0 227.104 2.091 50 0 BEAARM O=c1c2ccccc2[n-]c(=S)n1CC1CC1 ZINC000000089923 342673773 /nfs/dbraw/zinc/67/37/73/342673773.db2.gz VRJLADAESJEQAK-UHFFFAOYSA-N -1 0 232.308 2.469 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC000000100924 342674495 /nfs/dbraw/zinc/67/44/95/342674495.db2.gz ZHXFWLHEVUOFRR-MRVPVSSYSA-N -1 0 239.246 2.265 50 0 BEAARM Clc1ccc(OCc2nnn[n-]2)c(Cl)c1 ZINC000000122103 342675335 /nfs/dbraw/zinc/67/53/35/342675335.db2.gz IRKMHAJUKBQCBT-UHFFFAOYSA-N -1 0 245.069 2.086 50 0 BEAARM CC(C)(C)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000000153960 342677443 /nfs/dbraw/zinc/67/74/43/342677443.db2.gz OFILKMBFUQQLSU-UHFFFAOYSA-N -1 0 222.240 2.340 50 0 BEAARM Cc1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000000161913 342678291 /nfs/dbraw/zinc/67/82/91/342678291.db2.gz PDEGBONVUJDOFN-UHFFFAOYSA-N -1 0 221.187 2.487 50 0 BEAARM O=C([O-])c1ccc(NC(=O)c2cccnc2)cc1 ZINC000000517333 342689096 /nfs/dbraw/zinc/68/90/96/342689096.db2.gz LWFBUVHQVCTCKN-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 biogenic BEAARM C[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000178385 342679230 /nfs/dbraw/zinc/67/92/30/342679230.db2.gz JDZNIWUNOASRIK-QMMMGPOBSA-N -1 0 203.241 2.431 50 0 biogenic BEAARM Cn1c2ccccc2n(CCC(=O)[O-])c1=S ZINC000000247188 342681123 /nfs/dbraw/zinc/68/11/23/342681123.db2.gz MSSKJZNLJOAGRP-UHFFFAOYSA-N -1 0 236.296 2.184 50 0 BEAARM O=S(=O)([N-]c1ccccc1O)c1ccccc1 ZINC000000241156 342681182 /nfs/dbraw/zinc/68/11/82/342681182.db2.gz SQARMCGNIUBXAJ-UHFFFAOYSA-N -1 0 249.291 2.193 50 0 BEAARM Cc1ccc(NC(=O)CCCC(=O)[O-])c(C)c1 ZINC000000261118 342681590 /nfs/dbraw/zinc/68/15/90/342681590.db2.gz ZVGIRXVQGCSKBZ-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM O=C([O-])[C@H]1CC(=O)CC[C@@H]1Cc1ccccc1 ZINC000000053537 342671676 /nfs/dbraw/zinc/67/16/76/342671676.db2.gz RPYASTUWLRHTAX-YPMHNXCESA-N -1 0 232.279 2.299 50 0 biogenic BEAARM CCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000064981 342672370 /nfs/dbraw/zinc/67/23/70/342672370.db2.gz ASXLJZIPYBUVFW-UHFFFAOYSA-N -1 0 207.229 2.123 50 0 BEAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1Cl ZINC000000064863 342672446 /nfs/dbraw/zinc/67/24/46/342672446.db2.gz KIJYTGBTHXHDEZ-UHFFFAOYSA-N -1 0 241.674 2.452 50 0 BEAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1C ZINC000000064848 342672476 /nfs/dbraw/zinc/67/24/76/342672476.db2.gz IOPDCIWZBHGMOA-UHFFFAOYSA-N -1 0 221.256 2.107 50 0 BEAARM O=C1[N-]C(=O)[C@@H](Nc2cccc(Cl)c2)S1 ZINC000001204405 342698407 /nfs/dbraw/zinc/69/84/07/342698407.db2.gz JXRODLLUUPWVLJ-QMMMGPOBSA-N -1 0 242.687 2.061 50 0 BEAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576248 342703759 /nfs/dbraw/zinc/70/37/59/342703759.db2.gz QJCNLJWUIOIMMF-SFYZADRCSA-N -1 0 231.292 2.010 50 0 biogenic BEAARM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002391130 342719771 /nfs/dbraw/zinc/71/97/71/342719771.db2.gz HTBIAUMDQYXOFG-BDAKNGLRSA-N -1 0 245.319 2.353 50 0 BEAARM CC1(C)CCc2cc(CC(=O)[O-])ccc2O1 ZINC000002113390 342716119 /nfs/dbraw/zinc/71/61/19/342716119.db2.gz OICDBQRYNGOYQP-UHFFFAOYSA-N -1 0 220.268 2.417 50 0 biogenic BEAARM O=C([O-])c1cc(C(=O)C2CCCCC2)c[nH]1 ZINC000004014623 342740756 /nfs/dbraw/zinc/74/07/56/342740756.db2.gz VNNJHOPOSWRBEL-UHFFFAOYSA-N -1 0 221.256 2.476 50 0 BEAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000004139217 342743050 /nfs/dbraw/zinc/74/30/50/342743050.db2.gz WYTQCLKZYRFUIQ-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000004235040 342744788 /nfs/dbraw/zinc/74/47/88/342744788.db2.gz CBGGWZGPODAQIL-UHFFFAOYSA-N -1 0 249.653 2.394 50 0 BEAARM O=C([O-])c1cccc2c1C(=O)N(C1CCCC1)C2 ZINC000004237638 342745153 /nfs/dbraw/zinc/74/51/53/342745153.db2.gz KLAMZNJTPDLNDX-UHFFFAOYSA-N -1 0 245.278 2.283 50 0 BEAARM O=C([O-])c1cc2nccc(-c3ccccc3)n2n1 ZINC000004294504 342746296 /nfs/dbraw/zinc/74/62/96/342746296.db2.gz PCRKTPKIWRHNRX-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000004344556 342746981 /nfs/dbraw/zinc/74/69/81/342746981.db2.gz GLGRRRKQSFURGD-UHFFFAOYSA-N -1 0 228.173 2.342 50 0 BEAARM CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000002511756 342721700 /nfs/dbraw/zinc/72/17/00/342721700.db2.gz BKMVFOKQLCHCPK-SECBINFHSA-N -1 0 243.303 2.251 50 0 BEAARM O=C([O-])c1cnn2c1nccc2-c1cccs1 ZINC000002526607 342722727 /nfs/dbraw/zinc/72/27/27/342722727.db2.gz OURWKHLDAVYMGO-UHFFFAOYSA-N -1 0 245.263 2.156 50 0 BEAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 ZINC000002957710 342729000 /nfs/dbraw/zinc/72/90/00/342729000.db2.gz VUNKMNQMFCSUJN-UHFFFAOYSA-N -1 0 238.337 2.146 50 0 BEAARM CCOc1ccccc1OCCCC(=O)[O-] ZINC000003280818 342732102 /nfs/dbraw/zinc/73/21/02/342732102.db2.gz IRVVRBZLDZLBTI-UHFFFAOYSA-N -1 0 224.256 2.329 50 0 BEAARM O=C([O-])c1cc(NCc2ccccc2)ccn1 ZINC000003356977 342732904 /nfs/dbraw/zinc/73/29/04/342732904.db2.gz VCNIHBWVYVCMRK-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM Cc1c(C(=O)[O-])oc2c1C(=O)CC(C)(C)C2 ZINC000003866235 342738608 /nfs/dbraw/zinc/73/86/08/342738608.db2.gz AUDCUKXUYOTTBM-UHFFFAOYSA-N -1 0 222.240 2.441 50 0 BEAARM O=C([O-])c1cnn2c1nccc2-c1ccccc1 ZINC000004967411 342755368 /nfs/dbraw/zinc/75/53/68/342755368.db2.gz QHXFPNPRUFSDOL-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000005001796 342756306 /nfs/dbraw/zinc/75/63/06/342756306.db2.gz ATPXZVQETNPJTK-UHFFFAOYSA-N -1 0 246.266 2.143 50 0 BEAARM CC[C@@H](C)[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000005155444 342759007 /nfs/dbraw/zinc/75/90/07/342759007.db2.gz SDNDNHOVHJTJPB-BXKDBHETSA-N -1 0 247.294 2.142 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000004720847 342751001 /nfs/dbraw/zinc/75/10/01/342751001.db2.gz OYCGDTUIPZFBRJ-RWMBFGLXSA-N -1 0 234.295 2.406 50 0 BEAARM Cc1c2occ(CC(=O)[O-])c2ccc1O ZINC000008548461 342800353 /nfs/dbraw/zinc/80/03/53/342800353.db2.gz KQZALXZDFKROIS-UHFFFAOYSA-N -1 0 206.197 2.074 50 0 BEAARM CCc1c(C(=O)[O-])cnn1-c1cccc(C)c1 ZINC000006773980 342782945 /nfs/dbraw/zinc/78/29/45/342782945.db2.gz ASOKVIGFUSGAKD-UHFFFAOYSA-N -1 0 230.267 2.441 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)c(F)c2)[nH]n1 ZINC000006849504 342784780 /nfs/dbraw/zinc/78/47/80/342784780.db2.gz ZRBZHCIHCLBBIZ-UHFFFAOYSA-N -1 0 224.166 2.053 50 0 BEAARM Cc1cccc(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000006849166 342784924 /nfs/dbraw/zinc/78/49/24/342784924.db2.gz SCPNMVJXLTXQPQ-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM CCc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006848733 342784969 /nfs/dbraw/zinc/78/49/69/342784969.db2.gz XQLIBGNYUBDMCR-UHFFFAOYSA-N -1 0 216.240 2.337 50 0 BEAARM O=C([O-])c1cc(C(=O)c2ccc(F)cc2)c[nH]1 ZINC000008729824 342803686 /nfs/dbraw/zinc/80/36/86/342803686.db2.gz GBIOXGAYNWXARD-UHFFFAOYSA-N -1 0 233.198 2.083 50 0 BEAARM CSc1ncc(OCc2ccccc2)c(=O)[n-]1 ZINC000011612775 342842074 /nfs/dbraw/zinc/84/20/74/342842074.db2.gz RXBPYORYAKTOPL-UHFFFAOYSA-N -1 0 248.307 2.071 50 0 in-vitro BEAARM Cc1cc(-c2cc(C(=O)[O-])nn2C)ccc1F ZINC000011801865 342843590 /nfs/dbraw/zinc/84/35/90/342843590.db2.gz MBIOHJHURPJHGN-UHFFFAOYSA-N -1 0 234.230 2.233 50 0 BEAARM CCOc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000011976564 342845564 /nfs/dbraw/zinc/84/55/64/342845564.db2.gz UVCZHRCJBBFDBB-SECBINFHSA-N -1 0 208.257 2.349 50 0 BEAARM O=C([O-])c1ccc(OC(F)(F)F)c(F)c1 ZINC000012359168 342849802 /nfs/dbraw/zinc/84/98/02/342849802.db2.gz PIBFTHWKVKHHMA-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM CCc1cc(C(=O)[O-])c2c(n1)onc2C1CC1 ZINC000012399130 342851269 /nfs/dbraw/zinc/85/12/69/342851269.db2.gz YVDFKUCHGLCKEB-UHFFFAOYSA-N -1 0 232.239 2.361 50 0 BEAARM O=C([O-])c1ccc2c(c1)nnn2C1CCCC1 ZINC000013681561 342870366 /nfs/dbraw/zinc/87/03/66/342870366.db2.gz PFTXWYUOGYWVRS-UHFFFAOYSA-N -1 0 231.255 2.245 50 0 BEAARM CC[C@H](CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000034514225 346869761 /nfs/dbraw/zinc/86/97/61/346869761.db2.gz BDRCIETWVHQBHF-MRVPVSSYSA-N -1 0 231.292 2.012 50 0 BEAARM O=C([O-])c1ccc(N2CCCCCC2)nc1 ZINC000012879742 342859890 /nfs/dbraw/zinc/85/98/90/342859890.db2.gz XBMNSFACTKHIEP-UHFFFAOYSA-N -1 0 220.272 2.160 50 0 BEAARM O=C([O-])c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC000015444604 342896612 /nfs/dbraw/zinc/89/66/12/342896612.db2.gz MNUJUQSXOGLRNS-LBPRGKRZSA-N -1 0 246.266 2.434 50 0 BEAARM O=C([O-])c1cc2n[nH]cc2c(Br)c1 ZINC000014983923 342890166 /nfs/dbraw/zinc/89/01/66/342890166.db2.gz PTPANGLJLZZYNH-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM C/C=C\c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000016137341 342906856 /nfs/dbraw/zinc/90/68/56/342906856.db2.gz UORQJKKOBXSGRG-ARJAWSKDSA-N -1 0 222.240 2.192 50 0 BEAARM Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC000019093331 342941677 /nfs/dbraw/zinc/94/16/77/342941677.db2.gz FCTGUFFMXLWGPP-UHFFFAOYSA-N -1 0 207.204 2.324 50 0 BEAARM O=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000019472110 342948977 /nfs/dbraw/zinc/94/89/77/342948977.db2.gz PBSAOBJMSYDULI-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])c1cc(F)ccc1-n1cccc1 ZINC000019479614 342949400 /nfs/dbraw/zinc/94/94/00/342949400.db2.gz HMXCFCLVCRICIU-UHFFFAOYSA-N -1 0 205.188 2.315 50 0 BEAARM Cc1onc(-c2cccc(F)c2)c1C(=O)[O-] ZINC000019682376 342953656 /nfs/dbraw/zinc/95/36/56/342953656.db2.gz BOTWBGBHYPTPRX-UHFFFAOYSA-N -1 0 221.187 2.487 50 0 BEAARM CC(C)c1c([O-])c2ccccc2[nH]c1=O ZINC000005686010 346902903 /nfs/dbraw/zinc/90/29/03/346902903.db2.gz HNNFXIWBRSEYNY-UHFFFAOYSA-N -1 0 203.241 2.357 50 0 biogenic BEAARM CC(C)n1nc(C(=O)[O-])c2ccccc21 ZINC000019721697 342954482 /nfs/dbraw/zinc/95/44/82/342954482.db2.gz FHUPHXAYPNYFIU-UHFFFAOYSA-N -1 0 204.229 2.315 50 0 BEAARM S=c1[n-]nc(CCc2ccccc2)o1 ZINC000020159272 342973448 /nfs/dbraw/zinc/97/34/48/342973448.db2.gz LWFLSIYQAROQEJ-UHFFFAOYSA-N -1 0 206.270 2.144 50 0 BEAARM CC(C)(C)NC(=O)Nc1ccccc1C(=O)[O-] ZINC000020256520 342979118 /nfs/dbraw/zinc/97/91/18/342979118.db2.gz MMKBQJLJFWOKMK-UHFFFAOYSA-N -1 0 236.271 2.305 50 0 BEAARM O=C([O-])c1cccn2c(-c3ccccc3)nnc12 ZINC000020273890 342979644 /nfs/dbraw/zinc/97/96/44/342979644.db2.gz ZNVURTOLFBBGBT-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM O=C([O-])c1cc(N2CCCC2=O)ccc1Cl ZINC000020271196 342979675 /nfs/dbraw/zinc/97/96/75/342979675.db2.gz FMANDRBVPFNKJE-UHFFFAOYSA-N -1 0 239.658 2.165 50 0 BEAARM CCCc1noc2nc(C)cc(C(=O)[O-])c12 ZINC000022169691 343043124 /nfs/dbraw/zinc/04/31/24/343043124.db2.gz UPLQNWLOZPYPCN-UHFFFAOYSA-N -1 0 220.228 2.182 50 0 BEAARM Cc1[nH]c(C(=O)[O-])c(C)c1Br ZINC000026507011 343106104 /nfs/dbraw/zinc/10/61/04/343106104.db2.gz HAEVZKQRENIKEV-UHFFFAOYSA-N -1 0 218.050 2.092 50 0 BEAARM COc1c(C(=O)[O-])cccc1C(F)(F)F ZINC000034925426 343280511 /nfs/dbraw/zinc/28/05/11/343280511.db2.gz COVAZHQHYXQLOT-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM CCOc1nc(C(=O)[O-])cc2ccccc21 ZINC000036951530 343328371 /nfs/dbraw/zinc/32/83/71/343328371.db2.gz OMCBUGHWLNITDW-UHFFFAOYSA-N -1 0 217.224 2.332 50 0 BEAARM O=C([O-])c1ccc(OC(F)F)cc1F ZINC000038530036 343376279 /nfs/dbraw/zinc/37/62/79/343376279.db2.gz JEXCVZBFHDTIDA-UHFFFAOYSA-N -1 0 206.119 2.125 50 0 BEAARM CCOc1c(F)cc(F)cc1C(=O)[O-] ZINC000038529917 343376492 /nfs/dbraw/zinc/37/64/92/343376492.db2.gz JBVYNBCXQPSNCY-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM COc1cc(Br)cc(C)c1C(=O)[O-] ZINC000038540925 343376756 /nfs/dbraw/zinc/37/67/56/343376756.db2.gz RLDCUIJIUVPBBV-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM O=C([O-])c1ccc(-c2cc(Cl)ncn2)cc1 ZINC000038580440 343377224 /nfs/dbraw/zinc/37/72/24/343377224.db2.gz YFHIQJVGQCYBON-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000039086962 343381810 /nfs/dbraw/zinc/38/18/10/343381810.db2.gz RYCVUGZLAQJJLC-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM COc1cc(F)c(F)cc1/C=C/C(=O)[O-] ZINC000039712922 343392220 /nfs/dbraw/zinc/39/22/20/343392220.db2.gz GODWXUATTLOTOJ-NSCUHMNNSA-N -1 0 214.167 2.071 50 0 BEAARM O=C([O-])c1ccc(-c2ccccc2Cl)[nH]c1=O ZINC000036427979 343435063 /nfs/dbraw/zinc/43/50/63/343435063.db2.gz PINQDMVGEKTYSX-UHFFFAOYSA-N -1 0 249.653 2.394 50 0 BEAARM Nc1nc(-c2cccc(C(=O)[O-])c2)cs1 ZINC000044672114 343511609 /nfs/dbraw/zinc/51/16/09/343511609.db2.gz FUVRHVASGCIPSM-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM COc1cc(C(=O)[O-])ccc1-c1cnco1 ZINC000197985804 343656732 /nfs/dbraw/zinc/65/67/32/343656732.db2.gz ITFIALYGOUNASG-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM CC(C)C(=O)C1=C([O-])c2ccccc2C1 ZINC000112750699 537822896 /nfs/dbraw/zinc/82/28/96/537822896.db2.gz NWNOGKJBIPXBKN-NSHDSACASA-N -1 0 202.253 2.267 50 0 BEAARM O=C([O-])Cc1ccc(N=Cc2ccncc2)cc1 ZINC000004827284 344445440 /nfs/dbraw/zinc/44/54/40/344445440.db2.gz WKYJDUAGISFZET-UHFFFAOYSA-N -1 0 240.262 2.459 50 0 BEAARM O=C([O-])Cc1ccnc(Cl)c1C(F)(F)F ZINC000238695956 345111383 /nfs/dbraw/zinc/11/13/83/345111383.db2.gz AJWMVZDFBNMBSC-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM Cc1ccc([C@H](O)C(=O)[O-])c(Cl)c1Cl ZINC000263624944 178911443 /nfs/dbraw/zinc/91/14/43/178911443.db2.gz VKLSYSIJUUOOCS-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM O=C([O-])c1cnc(-c2ccccc2Cl)cn1 ZINC000143994375 345914987 /nfs/dbraw/zinc/91/49/87/345914987.db2.gz YEWFCKAJCMRQFC-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1cccc(O)c1NC(=O)C1=CCCCO1 ZINC000183081351 345938228 /nfs/dbraw/zinc/93/82/28/345938228.db2.gz SSSGYGFDLACZJN-UHFFFAOYSA-N -1 0 233.267 2.333 50 0 BEAARM CC(C)c1nc(-c2ccccc2)cn([O-])c1=O ZINC000005633461 346289812 /nfs/dbraw/zinc/28/98/12/346289812.db2.gz GMOFSGZRYAPCSW-UHFFFAOYSA-N -1 0 230.267 2.271 50 0 BEAARM COc1cc(CCCCC(=O)[O-])ccc1O ZINC000001678797 346463637 /nfs/dbraw/zinc/46/36/37/346463637.db2.gz JQQIWBPHESZYNN-UHFFFAOYSA-N -1 0 224.256 2.198 50 0 BEAARM CC[C@]1(C)Cc2c(sc(N)c2C(=O)[O-])CO1 ZINC000004438126 346601310 /nfs/dbraw/zinc/60/13/10/346601310.db2.gz UIVQDFYAZGXZAL-LLVKDONJSA-N -1 0 241.312 2.270 50 0 BEAARM CCCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000019388782 168562476 /nfs/dbraw/zinc/56/24/76/168562476.db2.gz MTFVEVLTZVFIFB-UHFFFAOYSA-N -1 0 221.256 2.432 50 0 BEAARM Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000019979932 179132278 /nfs/dbraw/zinc/13/22/78/179132278.db2.gz IYDWIEKTZDGAEQ-NSHDSACASA-N -1 0 248.282 2.076 50 0 BEAARM Cc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000170622810 179138960 /nfs/dbraw/zinc/13/89/60/179138960.db2.gz GHYOHRDYDRIMQU-MNOVXSKESA-N -1 0 247.294 2.434 50 0 BEAARM Cc1cccc(Nc2nc(CC(=O)[O-])cs2)n1 ZINC000061957859 179159030 /nfs/dbraw/zinc/15/90/30/179159030.db2.gz LMCGYFZNTMIEQB-UHFFFAOYSA-N -1 0 249.295 2.217 50 0 BEAARM CC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013746319 362801552 /nfs/dbraw/zinc/80/15/52/362801552.db2.gz RJOKGTZEYKBEAD-MRVPVSSYSA-N -1 0 236.271 2.305 50 0 BEAARM Cc1c(C(=O)[O-])n(C)c2cccc(C)c12 ZINC000095221276 179225439 /nfs/dbraw/zinc/22/54/39/179225439.db2.gz QILPMNQDJARQFR-UHFFFAOYSA-N -1 0 203.241 2.493 50 0 BEAARM Cc1ccccc1-n1nc(C(=O)[O-])c2c1CCC2 ZINC000036666769 179242480 /nfs/dbraw/zinc/24/24/80/179242480.db2.gz BSUHAOPZKGYUIR-UHFFFAOYSA-N -1 0 242.278 2.368 50 0 BEAARM Cc1ccccc1C(=O)CCCC(=O)[O-] ZINC000002378634 179245536 /nfs/dbraw/zinc/24/55/36/179245536.db2.gz KCWMQVONXURDFY-UHFFFAOYSA-N -1 0 206.241 2.433 50 0 BEAARM Cc1cc(=O)[n-]n1-c1ccc(Cl)cc1 ZINC000022116021 347600450 /nfs/dbraw/zinc/60/04/50/347600450.db2.gz KBPUHSRPFGHWLK-UHFFFAOYSA-N -1 0 208.648 2.127 50 0 BEAARM Cc1cc(=O)[n-]n1-c1ccccc1Cl ZINC000022116033 347600589 /nfs/dbraw/zinc/60/05/89/347600589.db2.gz UBOPSJSSBVFSCL-UHFFFAOYSA-N -1 0 208.648 2.127 50 0 BEAARM COc1ccc([C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000019088154 187417027 /nfs/dbraw/zinc/41/70/27/187417027.db2.gz GIRPVUVYVGNIEF-CYBMUJFWSA-N -1 0 220.268 2.448 50 0 BEAARM Cn1nc(-c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000038478101 187426347 /nfs/dbraw/zinc/42/63/47/187426347.db2.gz IOXADXRCZDAVBX-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM Cc1ccc(Br)c(C(=O)[O-])c1 ZINC000001571176 190971242 /nfs/dbraw/zinc/97/12/42/190971242.db2.gz ZXMISUUIYPFORW-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM Cc1nc(SC(F)F)sc1CC(=O)[O-] ZINC000036906859 180028040 /nfs/dbraw/zinc/02/80/40/180028040.db2.gz KIOGQJWHHOCQGP-UHFFFAOYSA-N -1 0 239.268 2.393 50 0 BEAARM Cc1nc2[n-]c(C3CCCCC3)nn2c(=O)c1C ZINC000095481162 180114836 /nfs/dbraw/zinc/11/48/36/180114836.db2.gz MJURONICGUKAIV-UHFFFAOYSA-N -1 0 246.314 2.494 50 0 BEAARM Cc1ncc(CC(F)(F)F)cc1C(=O)[O-] ZINC000238468792 180138267 /nfs/dbraw/zinc/13/82/67/180138267.db2.gz AYPASHNRSMLNTK-UHFFFAOYSA-N -1 0 219.162 2.193 50 0 BEAARM Cn1[n-]c(-c2ccc(Cl)cc2)cc1=O ZINC000100221185 191062354 /nfs/dbraw/zinc/06/23/54/191062354.db2.gz NUEHXBGHKXUYHU-UHFFFAOYSA-N -1 0 208.648 2.446 50 0 BEAARM Cc1nn(-c2ccccc2F)c(C)c1CC(=O)[O-] ZINC000021953708 180331220 /nfs/dbraw/zinc/33/12/20/180331220.db2.gz DDTXFURAOJJXQX-UHFFFAOYSA-N -1 0 248.257 2.255 50 0 BEAARM CC(=O)N(C)c1ccc(Cl)cc1C(=O)[O-] ZINC000012379323 191124840 /nfs/dbraw/zinc/12/48/40/191124840.db2.gz SZQGCGZABWYXBB-UHFFFAOYSA-N -1 0 227.647 2.021 50 0 BEAARM COc1ccc([C@@H](C(=O)[O-])C2CC2)cc1OC ZINC000019726486 351996162 /nfs/dbraw/zinc/99/61/62/351996162.db2.gz UGTICACXPHUAND-LBPRGKRZSA-N -1 0 236.267 2.282 50 0 BEAARM CCCCCC[C@@H](C)NC(=O)CCC(=O)[O-] ZINC000013943679 168674024 /nfs/dbraw/zinc/67/40/24/168674024.db2.gz UOMULHPGIOYJNB-SNVBAGLBSA-N -1 0 229.320 2.326 50 0 BEAARM Cc1cc(Br)c(N)cc1C(=O)[O-] ZINC000091304756 187799720 /nfs/dbraw/zinc/79/97/20/187799720.db2.gz XSZRYXHZPQVXPW-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM Cc1cc(C(=O)[O-])nn1C1CCCCC1 ZINC000095218197 187800066 /nfs/dbraw/zinc/80/00/66/187800066.db2.gz HPBPNENSAKBOER-UHFFFAOYSA-N -1 0 208.261 2.395 50 0 BEAARM CCOc1cccc([C@H]2C[C@H]2C(=O)[O-])c1 ZINC000032010614 352733437 /nfs/dbraw/zinc/73/34/37/352733437.db2.gz IZKXGKMFQATOME-GHMZBOCLSA-N -1 0 206.241 2.273 50 0 BEAARM O=C([O-])c1ccc(Br)cc1 ZINC000000388063 188099982 /nfs/dbraw/zinc/09/99/82/188099982.db2.gz TUXYZHVUPGXXQG-UHFFFAOYSA-N -1 0 201.019 2.147 50 0 in-vitro BEAARM O=C([O-])c1nc2ccc(Cl)cn2c1Cl ZINC000008781595 188103878 /nfs/dbraw/zinc/10/38/78/188103878.db2.gz ZYARRVJJFDVCDO-UHFFFAOYSA-N -1 0 231.038 2.339 50 0 BEAARM CC(C)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000010109829 188104231 /nfs/dbraw/zinc/10/42/31/188104231.db2.gz RAQMKACVSPTXNB-AXFHLTTASA-N -1 0 241.331 2.038 50 0 BEAARM CC(C)(Oc1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC000044747027 188123795 /nfs/dbraw/zinc/12/37/95/188123795.db2.gz REFIHKNRUBIIKC-UHFFFAOYSA-N -1 0 248.278 2.448 50 0 BEAARM CC1(C)C=Cc2cc(CC(=O)[O-])ccc2O1 ZINC000052514045 188126523 /nfs/dbraw/zinc/12/65/23/188126523.db2.gz QJMKAHDCRKUMCK-UHFFFAOYSA-N -1 0 218.252 2.498 50 0 BEAARM CC(C)COc1cc(N)ccc1C(=O)[O-] ZINC000069515724 188130465 /nfs/dbraw/zinc/13/04/65/188130465.db2.gz XMGRGGIUTGMJBS-UHFFFAOYSA-N -1 0 209.245 2.002 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)[O-])C1 ZINC000075629403 188132724 /nfs/dbraw/zinc/13/27/24/188132724.db2.gz BSWHWMPKCSLEMJ-VIFPVBQESA-N -1 0 243.303 2.108 50 0 BEAARM CC(=O)C=C([O-])c1c[nH]c2ccccc12 ZINC000100078712 188158925 /nfs/dbraw/zinc/15/89/25/188158925.db2.gz IQKLQVQBEWGKJL-UHFFFAOYSA-N -1 0 201.225 2.330 50 0 BEAARM CC(C)CC([O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100048029 188149532 /nfs/dbraw/zinc/14/95/32/188149532.db2.gz HNPWTDUZIXAJSA-UHFFFAOYSA-N -1 0 224.300 2.176 50 0 BEAARM CCCC(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000016622550 353390287 /nfs/dbraw/zinc/39/02/87/353390287.db2.gz VUDDOVKYAIATLG-UHFFFAOYSA-N -1 0 225.219 2.263 50 0 BEAARM CC(=O)c1ccc(CCCC(=O)[O-])cc1 ZINC000000457419 188454350 /nfs/dbraw/zinc/45/43/50/188454350.db2.gz BLKZSCZBOQMBKO-UHFFFAOYSA-N -1 0 206.241 2.297 50 0 biogenic BEAARM O=C([O-])[C@@](O)(c1cccs1)c1ccccc1 ZINC000037632287 188461351 /nfs/dbraw/zinc/46/13/51/188461351.db2.gz BIHFCPRVAAVAPP-LBPRGKRZSA-N -1 0 234.276 2.069 50 0 in-vitro BEAARM O=C([O-])c1cccc(-c2nc3cc[nH]cc-3n2)c1 ZINC000033559085 356367515 /nfs/dbraw/zinc/36/75/15/356367515.db2.gz LIUAPDDEARDYBW-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM O=S(=O)([O-])/C(=C\Cl)Cc1ccccc1 ZINC000043761467 356371770 /nfs/dbraw/zinc/37/17/70/356371770.db2.gz QOTUFIHJJIXUSX-CLFYSBASSA-N -1 0 232.688 2.197 50 0 BEAARM O=C([O-])c1c(-c2c[nH]cn2)noc1C1CCC1 ZINC000675057749 538480006 /nfs/dbraw/zinc/48/00/06/538480006.db2.gz NEMLUNKINYDWNT-UHFFFAOYSA-N -1 0 233.227 2.030 50 0 BEAARM O=C([O-])c1c(-c2nccs2)noc1C(F)F ZINC000675058291 538481437 /nfs/dbraw/zinc/48/14/37/538481437.db2.gz ZXFQSZAMAXFHRC-UHFFFAOYSA-N -1 0 246.194 2.434 50 0 BEAARM Cc1ccc2cccc([S@](=O)[O-])c2n1 ZINC000675060849 538487135 /nfs/dbraw/zinc/48/71/35/538487135.db2.gz KXFWUGMLXRHIIJ-UHFFFAOYSA-N -1 0 207.254 2.124 50 0 BEAARM O=[S@@]([O-])c1cc(F)ccc1Br ZINC000223299487 538591551 /nfs/dbraw/zinc/59/15/51/538591551.db2.gz DDCYVGPIERJBJG-UHFFFAOYSA-N -1 0 239.065 2.169 50 0 BEAARM O=C([O-])c1ccnc(C(=O)c2ccccc2)c1 ZINC000000331417 357152629 /nfs/dbraw/zinc/15/26/29/357152629.db2.gz MIKNBPWHTNTJAM-UHFFFAOYSA-N -1 0 227.219 2.011 50 0 BEAARM O=C([O-])c1cc2c(cc1Br)CCN2 ZINC000259444000 538818901 /nfs/dbraw/zinc/81/89/01/538818901.db2.gz PBXJVFUYTRRQNP-UHFFFAOYSA-N -1 0 242.072 2.115 50 0 BEAARM [O-]c1cnn(CCCc2ccccc2)c1 ZINC000161876958 359324829 /nfs/dbraw/zinc/32/48/29/359324829.db2.gz FENIRXRAKSSZJX-UHFFFAOYSA-N -1 0 202.257 2.222 50 0 BEAARM Cn1c(=N)[n-]nc1S[C@H]1C=CCCCCC1 ZINC000380850668 359726404 /nfs/dbraw/zinc/72/64/04/359726404.db2.gz ZXKHLSDDXJCHJI-VIFPVBQESA-N -1 0 238.360 2.209 50 0 BEAARM Cc1ccc(C)c(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000050290627 219824582 /nfs/dbraw/zinc/82/45/82/219824582.db2.gz CMRQSLRPXHSJGN-UHFFFAOYSA-N -1 0 233.267 2.107 50 0 BEAARM CC(C)(C)OC(=O)C1CCC(C(=O)[O-])CC1 ZINC000022113930 368373340 /nfs/dbraw/zinc/37/33/40/368373340.db2.gz SVTFYLMWINQYFM-UHFFFAOYSA-N -1 0 228.288 2.219 50 0 BEAARM CC(C)(O)[C@H](Sc1ccccc1)C(=O)[O-] ZINC000205432811 368400072 /nfs/dbraw/zinc/40/00/72/368400072.db2.gz UAZMAHZWIUPCSL-SECBINFHSA-N -1 0 226.297 2.003 50 0 BEAARM Nc1c(Cl)c(Cl)ccc1C(=O)[O-] ZINC000005223908 181665769 /nfs/dbraw/zinc/66/57/69/181665769.db2.gz LMFCCMCEVBFNHS-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM Cc1cc(C(=O)[O-])cc(O)c1Br ZINC000216722174 371795512 /nfs/dbraw/zinc/79/55/12/371795512.db2.gz WSSRPGYXHNAPCK-UHFFFAOYSA-N -1 0 231.045 2.161 50 0 BEAARM C[C@@H](Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000038842973 372788299 /nfs/dbraw/zinc/78/82/99/372788299.db2.gz UBWKSHCOWRUZGP-LURJTMIESA-N -1 0 200.184 2.228 50 0 BEAARM CCCCCSc1nnc(C)c(=O)[n-]1 ZINC000008772792 372893510 /nfs/dbraw/zinc/89/35/10/372893510.db2.gz OTFCAKYDZUCINO-UHFFFAOYSA-N -1 0 213.306 2.168 50 0 BEAARM O=C([O-])C1CCC(Cn2cccc2)CC1 ZINC000013624066 205460339 /nfs/dbraw/zinc/46/03/39/205460339.db2.gz AOWZYXIAQXELRD-UHFFFAOYSA-N -1 0 207.273 2.379 50 0 BEAARM O=C([O-])Cc1ccc(OCc2ccccc2)cn1 ZINC000143169134 374141678 /nfs/dbraw/zinc/14/16/78/374141678.db2.gz MDLYGMLBJPNIPI-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM O=C([O-])c1sccc1NC(=O)c1ccoc1 ZINC000021955716 182391677 /nfs/dbraw/zinc/39/16/77/182391677.db2.gz DFKFSJXQAJKLPN-UHFFFAOYSA-N -1 0 237.236 2.292 50 0 BEAARM O=C([O-])/C=C/c1c(Cl)nc2sccn12 ZINC000003319136 182411706 /nfs/dbraw/zinc/41/17/06/182411706.db2.gz ZBYRHXXVGNUDRH-OWOJBTEDSA-N -1 0 228.660 2.147 50 0 BEAARM O=C([O-])C1(Oc2ccc(Cl)cc2)CC1 ZINC000085392773 182423963 /nfs/dbraw/zinc/42/39/63/182423963.db2.gz BVOVUSTVSOEJLN-UHFFFAOYSA-N -1 0 212.632 2.336 50 0 BEAARM O=C([O-])CCc1cc(F)cc(Cl)c1 ZINC000002528439 182453502 /nfs/dbraw/zinc/45/35/02/182453502.db2.gz TZLTYSVYYYKGDR-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM O=C([O-])COc1ccc2c(c1)CCCC2 ZINC000004201317 182471298 /nfs/dbraw/zinc/47/12/98/182471298.db2.gz WCKYBLCGUSVWQI-UHFFFAOYSA-N -1 0 206.241 2.029 50 0 BEAARM O=C([O-])COc1ccc(Oc2ccccn2)cc1 ZINC000012609363 182471215 /nfs/dbraw/zinc/47/12/15/182471215.db2.gz PRUVYXVNYCDREU-UHFFFAOYSA-N -1 0 245.234 2.337 50 0 BEAARM O=C([O-])COc1ccccc1C(F)(F)F ZINC000020283250 182471613 /nfs/dbraw/zinc/47/16/13/182471613.db2.gz NRFIBTALDRVYLS-UHFFFAOYSA-N -1 0 220.146 2.169 50 0 BEAARM O=C([O-])Cc1c(Cl)ccc(F)c1F ZINC000021985413 182487735 /nfs/dbraw/zinc/48/77/35/182487735.db2.gz RPTVDWIUTLULDO-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM O=C([O-])Cc1csc(NCc2ccccc2)n1 ZINC000000874115 182494958 /nfs/dbraw/zinc/49/49/58/182494958.db2.gz VYXLBHQSHNQXGM-UHFFFAOYSA-N -1 0 248.307 2.382 50 0 BEAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC000053713331 182511619 /nfs/dbraw/zinc/51/16/19/182511619.db2.gz IQCDEUARSVOVDW-NSHDSACASA-N -1 0 239.315 2.032 50 0 BEAARM O=C([O-])[C@@H](O)c1cc(Cl)cc(F)c1Cl ZINC000258315816 182504076 /nfs/dbraw/zinc/50/40/76/182504076.db2.gz TZIDJLDGHQNUHI-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM O=C([O-])[C@H]1CCc2nc(C(F)(F)F)ccc2C1 ZINC000114050928 182541958 /nfs/dbraw/zinc/54/19/58/182541958.db2.gz RAWUKUNDMGWMAL-ZETCQYMHSA-N -1 0 245.200 2.290 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000004992727 182551270 /nfs/dbraw/zinc/55/12/70/182551270.db2.gz YECLPKDINYXXNB-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM O=C([O-])c1cc(C(F)(F)F)cc(Cl)n1 ZINC000035587176 182553473 /nfs/dbraw/zinc/55/34/73/182553473.db2.gz TVUNLKOAOAHOBJ-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1cc(Cl)ncc1C(F)(F)F ZINC000016159608 182554432 /nfs/dbraw/zinc/55/44/32/182554432.db2.gz OIODRBHIESSYRO-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1c(Cl)ncn1-c1ccccc1 ZINC000036390465 182547717 /nfs/dbraw/zinc/54/77/17/182547717.db2.gz MTNIMCUFPQRNDF-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCCC2)cc1 ZINC000096402396 182563603 /nfs/dbraw/zinc/56/36/03/182563603.db2.gz YIIJZEOYEJMKRE-VMPITWQZSA-N -1 0 245.278 2.020 50 0 BEAARM O=C([O-])c1ccc(NCc2ccccn2)cc1 ZINC000005162958 182569609 /nfs/dbraw/zinc/56/96/09/182569609.db2.gz KDYZAXNHGFVBMN-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])c1ccccc1OCc1ccccn1 ZINC000009237229 182582478 /nfs/dbraw/zinc/58/24/78/182582478.db2.gz RLTGMFYDWKPTQU-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1cccnc1C(=O)c1ccccc1 ZINC000000343335 182583093 /nfs/dbraw/zinc/58/30/93/182583093.db2.gz CUADCEFWXFDKEK-UHFFFAOYSA-N -1 0 227.219 2.011 50 0 BEAARM O=C([O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000012879700 182592095 /nfs/dbraw/zinc/59/20/95/182592095.db2.gz GOFLYUKBUGVGJT-UHFFFAOYSA-N -1 0 228.251 2.448 50 0 BEAARM O=C([O-])c1ncoc1-c1ccc(F)cc1 ZINC000020441069 182596274 /nfs/dbraw/zinc/59/62/74/182596274.db2.gz VXGVPBUIHUSJID-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=Cc1cccc(-c2ccc(C(=O)[O-])s2)n1 ZINC000020357774 182870669 /nfs/dbraw/zinc/87/06/69/182870669.db2.gz IZBKTJYWJNEFOT-UHFFFAOYSA-N -1 0 233.248 2.321 50 0 BEAARM CCCC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002526287 168933945 /nfs/dbraw/zinc/93/39/45/168933945.db2.gz HYGQYTQHPSQSFF-VIFPVBQESA-N -1 0 245.319 2.497 50 0 BEAARM O=c1cnnc(Nc2ccc(F)c(Cl)c2)[n-]1 ZINC000007995027 183305792 /nfs/dbraw/zinc/30/57/92/183305792.db2.gz RECVDTPYERIDSU-UHFFFAOYSA-N -1 0 240.625 2.113 50 0 BEAARM CCCN(CCC)c1ncccc1C(=O)[O-] ZINC000019844716 169154314 /nfs/dbraw/zinc/15/43/14/169154314.db2.gz CHKYSWMJQMMEAP-UHFFFAOYSA-N -1 0 222.288 2.406 50 0 BEAARM S=c1[n-]nnn1-c1ccc(Cl)cc1Cl ZINC000018168515 183316536 /nfs/dbraw/zinc/31/65/36/183316536.db2.gz KNXXWYFEFQMLGP-UHFFFAOYSA-N -1 0 247.110 2.258 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000002386598 166665201 /nfs/dbraw/zinc/66/52/01/166665201.db2.gz JSGHMGKJNZTKGF-DTWKUNHWSA-N -1 0 243.303 2.155 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000100004458 166666161 /nfs/dbraw/zinc/66/61/61/166666161.db2.gz KXMRDHPZQHAXML-DTORHVGOSA-N -1 0 243.303 2.155 50 0 BEAARM O=C([O-])CCCC(=O)Nc1ccc(F)cc1F ZINC000000100978 383827791 /nfs/dbraw/zinc/82/77/91/383827791.db2.gz JUYFUQUWOIGACU-UHFFFAOYSA-N -1 0 243.209 2.158 50 0 BEAARM CCc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000064850 383821073 /nfs/dbraw/zinc/82/10/73/383821073.db2.gz AYICUSWSFLMREX-UHFFFAOYSA-N -1 0 221.256 2.052 50 0 BEAARM Cc1cc(C(=O)[O-])c2cc(F)ccc2n1 ZINC000000064901 383821662 /nfs/dbraw/zinc/82/16/62/383821662.db2.gz KXMSETXWKPJCQS-UHFFFAOYSA-N -1 0 205.188 2.381 50 0 BEAARM Cc1ccc(OCC(=O)[O-])cc1Cl ZINC000000163318 383838822 /nfs/dbraw/zinc/83/88/22/383838822.db2.gz SJYYKYLTOMNRHA-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM CC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000192683 383841315 /nfs/dbraw/zinc/84/13/15/383841315.db2.gz DUGWBMXFSCILOV-NSHDSACASA-N -1 0 206.241 2.224 50 0 BEAARM O=C([O-])C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000000197663 383842891 /nfs/dbraw/zinc/84/28/91/383842891.db2.gz LERQNMXBXXERSK-UHFFFAOYSA-N -1 0 248.278 2.354 50 0 biogenic BEAARM O=C([O-])CSc1nccc2ccccc21 ZINC000000851327 383880036 /nfs/dbraw/zinc/88/00/36/383880036.db2.gz PISYQRRSPUEVQL-UHFFFAOYSA-N -1 0 219.265 2.412 50 0 BEAARM O=C([O-])CO[C@H](c1ccccc1)C(F)(F)F ZINC000000275280 383850734 /nfs/dbraw/zinc/85/07/34/383850734.db2.gz QVFVPBIDJMYUDX-SECBINFHSA-N -1 0 234.173 2.391 50 0 BEAARM O=C([O-])CCCC(=O)Nc1cccc(F)c1 ZINC000000281988 383851725 /nfs/dbraw/zinc/85/17/25/383851725.db2.gz JCMJBWSRUSPGJT-UHFFFAOYSA-N -1 0 225.219 2.019 50 0 BEAARM O=C([O-])CCc1cnc2ccccc2c1 ZINC000035569622 383859369 /nfs/dbraw/zinc/85/93/69/383859369.db2.gz PDVKRIXEUOTSJQ-UHFFFAOYSA-N -1 0 201.225 2.252 50 0 BEAARM COC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000000149791 383833873 /nfs/dbraw/zinc/83/38/73/383833873.db2.gz UKMOOQFHBGTLAO-UHFFFAOYSA-N -1 0 221.039 2.486 50 0 BEAARM O=C([O-])c1ccc(Br)cc1F ZINC000001081497 383889568 /nfs/dbraw/zinc/88/95/68/383889568.db2.gz ZQQSRVPOAHYHEL-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM O=C([O-])Cc1ccccc1-c1cccnc1 ZINC000002581092 383978534 /nfs/dbraw/zinc/97/85/34/383978534.db2.gz PMPVQDCSSJCWGH-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM CC1(C)S[C@H](c2cccs2)N[C@@H]1C(=O)[O-] ZINC000003107956 383998857 /nfs/dbraw/zinc/99/88/57/383998857.db2.gz CNPAHLACCHNFLI-HTQZYQBOSA-N -1 0 243.353 2.315 50 0 BEAARM O=C([O-])Cc1cc(F)ccc1Br ZINC000002243306 383956500 /nfs/dbraw/zinc/95/65/00/383956500.db2.gz BPNWLZNAKZSBHH-UHFFFAOYSA-N -1 0 233.036 2.215 50 0 BEAARM O=C([O-])Cc1c(F)ccc(F)c1Cl ZINC000002382100 383958546 /nfs/dbraw/zinc/95/85/46/383958546.db2.gz RLEIKDZPBYTKEM-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM O=C([O-])CCC(=O)c1ccc(F)c(F)c1 ZINC000002378674 383959449 /nfs/dbraw/zinc/95/94/49/383959449.db2.gz GYDFFFKCUNUZEL-UHFFFAOYSA-N -1 0 214.167 2.012 50 0 world BEAARM O=C([O-])CCCCC(=O)OCc1ccccc1 ZINC000002565472 383976266 /nfs/dbraw/zinc/97/62/66/383976266.db2.gz CQSWISNVQPOAEM-UHFFFAOYSA-N -1 0 236.267 2.375 50 0 in-vitro BEAARM O=C([O-])c1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000003626301 384020606 /nfs/dbraw/zinc/02/06/06/384020606.db2.gz HCHZJVIOJPDFKA-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000004254605 384049938 /nfs/dbraw/zinc/04/99/38/384049938.db2.gz WVWCLNDERHVFSB-GSVOUGTGSA-N -1 0 246.946 2.443 50 0 BEAARM O=C([O-])c1n[nH]c2ccc(Br)cc21 ZINC000004262664 384051903 /nfs/dbraw/zinc/05/19/03/384051903.db2.gz AMJVXOOGGBPVCZ-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])Cc1cc(C(F)(F)F)ccc1F ZINC000004265123 384052259 /nfs/dbraw/zinc/05/22/59/384052259.db2.gz OIVIPAUIJVTMGM-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM COC(=O)c1cc(-c2ccc(F)cc2F)[nH]n1 ZINC000038478429 384082985 /nfs/dbraw/zinc/08/29/85/384082985.db2.gz RSBQNCZUYMHNEP-UHFFFAOYSA-N -1 0 238.193 2.142 50 0 BEAARM O=Cc1cc(Br)c(F)cc1[O-] ZINC000004290820 384054262 /nfs/dbraw/zinc/05/42/62/384054262.db2.gz QKTZGVUIYFBODQ-UHFFFAOYSA-N -1 0 219.009 2.106 50 0 BEAARM O=C([O-])c1ccc(F)c(Br)c1F ZINC000038302623 384081862 /nfs/dbraw/zinc/08/18/62/384081862.db2.gz LPHSBCGWEINIHT-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM CCc1cccc(C)c1N[C@@H](C)C(=O)[O-] ZINC000039285914 384110530 /nfs/dbraw/zinc/11/05/30/384110530.db2.gz ACQCQKSFTBFYDO-VIFPVBQESA-N -1 0 207.273 2.442 50 0 BEAARM CNc1ccc(C(=O)[O-])cc1Br ZINC000039951867 384124305 /nfs/dbraw/zinc/12/43/05/384124305.db2.gz GYQWONZKVFZPDG-UHFFFAOYSA-N -1 0 230.061 2.189 50 0 BEAARM CC(C)(Oc1ccc(F)cc1F)C(=O)[O-] ZINC000005831003 384132476 /nfs/dbraw/zinc/13/24/76/384132476.db2.gz LUUNNYIKQOANCC-UHFFFAOYSA-N -1 0 216.183 2.207 50 0 BEAARM O=C([O-])c1noc(-c2cccc(Cl)c2)n1 ZINC000071047883 384148011 /nfs/dbraw/zinc/14/80/11/384148011.db2.gz LBWGRKPCZIWXGR-UHFFFAOYSA-N -1 0 224.603 2.088 50 0 BEAARM O=C([O-])c1noc(Cc2ccc(Cl)cc2)n1 ZINC000071047984 384148920 /nfs/dbraw/zinc/14/89/20/384148920.db2.gz WLEWSFMVIDEHQG-UHFFFAOYSA-N -1 0 238.630 2.012 50 0 BEAARM CCc1nc(NC2CCCC2)ncc1C(=O)[O-] ZINC000257197424 384149762 /nfs/dbraw/zinc/14/97/62/384149762.db2.gz HXEPTHCEDHNGED-UHFFFAOYSA-N -1 0 235.287 2.092 50 0 BEAARM O=Cc1cccn1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040488294 384154181 /nfs/dbraw/zinc/15/41/81/384154181.db2.gz XZAYKRMTIYRFEF-ZDUSSCGKSA-N -1 0 243.262 2.169 50 0 BEAARM O=c1cc(C2CC2)[n-]n1-c1ccccc1 ZINC000071005322 384144478 /nfs/dbraw/zinc/14/44/78/384144478.db2.gz MUSCWJLJTVJKRI-UHFFFAOYSA-N -1 0 200.241 2.043 50 0 BEAARM Cc1cc(C(=O)[O-])nn1Cc1ccc(F)cc1 ZINC000071543465 384172216 /nfs/dbraw/zinc/17/22/16/384172216.db2.gz IAQMWNBGGKTMPF-UHFFFAOYSA-N -1 0 234.230 2.077 50 0 BEAARM O=C([O-])CCc1ccc2c(c1)CCCO2 ZINC000006681891 384162622 /nfs/dbraw/zinc/16/26/22/384162622.db2.gz FAIYPDNLZRNKNX-UHFFFAOYSA-N -1 0 206.241 2.029 50 0 BEAARM CCc1ccc(OC)c([C@H](O)CCC(=O)[O-])c1 ZINC000006678501 384163372 /nfs/dbraw/zinc/16/33/72/384163372.db2.gz ZJSIZHYKJPBPCJ-LLVKDONJSA-N -1 0 238.283 2.156 50 0 BEAARM O=C([O-])CCC(=O)Nc1ccc(Cl)cc1F ZINC000006731190 384165533 /nfs/dbraw/zinc/16/55/33/384165533.db2.gz IAXPBKWZXXEWQX-UHFFFAOYSA-N -1 0 245.637 2.282 50 0 BEAARM CCOc1cc(C(=O)[O-])nc2ccc(OC)cc21 ZINC000071775231 384178264 /nfs/dbraw/zinc/17/82/64/384178264.db2.gz CNMYJOASVCUDNA-UHFFFAOYSA-N -1 0 247.250 2.340 50 0 BEAARM Cc1cc(Br)c(C(=O)[O-])cc1N ZINC000071864154 384183828 /nfs/dbraw/zinc/18/38/28/384183828.db2.gz WXEDVFCZCKWBCL-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM O=C([O-])Cc1sccc1Br ZINC000043675485 384294506 /nfs/dbraw/zinc/29/45/06/384294506.db2.gz WTCIRZGAUYRFGT-UHFFFAOYSA-N -1 0 221.075 2.138 50 0 BEAARM O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccccc1 ZINC000013224078 384352671 /nfs/dbraw/zinc/35/26/71/384352671.db2.gz RDQVPBLHVFAFNT-GFCCVEGCSA-N -1 0 247.294 2.119 50 0 BEAARM Cc1ocnc1C(=O)Nc1ccc(O)cc1F ZINC000097080051 384324303 /nfs/dbraw/zinc/32/43/03/384324303.db2.gz JHPIFYJHMWSWND-UHFFFAOYSA-N -1 0 236.202 2.080 50 0 BEAARM O=C([O-])c1ccncc1NC(=O)c1ccccc1 ZINC000083753862 384325678 /nfs/dbraw/zinc/32/56/78/384325678.db2.gz NBRGBJYDSHESTK-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])Cc1cc(F)c(Cl)c(F)c1 ZINC000044374554 384327596 /nfs/dbraw/zinc/32/75/96/384327596.db2.gz DSNDWLRWEGZWDG-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)[O-])C1 ZINC000075629404 384333008 /nfs/dbraw/zinc/33/30/08/384333008.db2.gz BSWHWMPKCSLEMJ-SECBINFHSA-N -1 0 243.303 2.108 50 0 BEAARM CC(=O)N1C[C@@H](CCC(=O)[O-])c2ccccc21 ZINC000095829663 384400635 /nfs/dbraw/zinc/40/06/35/384400635.db2.gz XSWZWXKJMUNFPF-SNVBAGLBSA-N -1 0 233.267 2.002 50 0 BEAARM O=C([O-])c1cnc(Cl)c(F)c1Cl ZINC000095919619 384408679 /nfs/dbraw/zinc/40/86/79/384408679.db2.gz UYTWCEYZEQBILY-UHFFFAOYSA-N -1 0 209.991 2.226 50 0 BEAARM Cc1cc(C)cc(C2(C(=O)[O-])CCOCC2)c1 ZINC000014000212 384380831 /nfs/dbraw/zinc/38/08/31/384380831.db2.gz ZCYKJYQYCCVGLF-UHFFFAOYSA-N -1 0 234.295 2.436 50 0 biogenic BEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000018202394 384500641 /nfs/dbraw/zinc/50/06/41/384500641.db2.gz QOEDVXAZNHMVLV-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM O=C([O-])Cc1ccc(OCc2ccccn2)cc1 ZINC000019843618 384546393 /nfs/dbraw/zinc/54/63/93/384546393.db2.gz VBVVCMQQQFYMMJ-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM O=C([O-])CSc1nc(-c2ccccc2)c[nH]1 ZINC000019974405 384565603 /nfs/dbraw/zinc/56/56/03/384565603.db2.gz YIIGEFKVQRDEMU-UHFFFAOYSA-N -1 0 234.280 2.253 50 0 BEAARM O=C(C=C([O-])c1ccccc1)C(F)(F)F ZINC000100004384 384607312 /nfs/dbraw/zinc/60/73/12/384607312.db2.gz VVXLFFIFNVKFBD-UHFFFAOYSA-N -1 0 216.158 2.391 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1-c1nccs1 ZINC000020282475 384610807 /nfs/dbraw/zinc/61/08/07/384610807.db2.gz MMRRNHQDDPKVFA-UHFFFAOYSA-N -1 0 222.269 2.249 50 0 BEAARM Cc1cc(C(F)(F)F)nn1CCCC(=O)[O-] ZINC000020329196 384612713 /nfs/dbraw/zinc/61/27/13/384612713.db2.gz UFNIIMKJJIBPNT-UHFFFAOYSA-N -1 0 236.193 2.075 50 0 BEAARM CC[C@H](C)n1ncc(Cl)c1C(=O)[O-] ZINC000020313829 384613254 /nfs/dbraw/zinc/61/32/54/384613254.db2.gz YNGLSEGRQVBPLM-YFKPBYRVSA-N -1 0 202.641 2.206 50 0 BEAARM O=C1Nc2ccccc2C1=C([O-])c1ccco1 ZINC000101172948 384666765 /nfs/dbraw/zinc/66/67/65/384666765.db2.gz MVZPGVKQORMMNZ-LLVKDONJSA-N -1 0 227.219 2.198 50 0 BEAARM O=C([O-])c1ccnnc1SCc1ccccc1 ZINC000124521083 384649105 /nfs/dbraw/zinc/64/91/05/384649105.db2.gz PVMFIQUTZRTJTD-UHFFFAOYSA-N -1 0 246.291 2.467 50 0 BEAARM O=C([O-])c1nnc(-c2ccccc2F)s1 ZINC000083321634 384758629 /nfs/dbraw/zinc/75/86/29/384758629.db2.gz IUGYVLKDEQESRW-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)[C@H]1CCCC[C@H]1O ZINC000104339148 384820814 /nfs/dbraw/zinc/82/08/14/384820814.db2.gz OYCGDTUIPZFBRJ-YNEHKIRRSA-N -1 0 234.295 2.406 50 0 BEAARM O=C([O-])C1=C(c2ccccc2)SCCO1 ZINC000026442159 384874075 /nfs/dbraw/zinc/87/40/75/384874075.db2.gz XIERJPKZYNUSIU-UHFFFAOYSA-N -1 0 222.265 2.203 50 0 BEAARM Cc1cc(C(=O)[O-])nn1-c1ccc(F)cc1F ZINC000054622253 384847409 /nfs/dbraw/zinc/84/74/09/384847409.db2.gz JCFLRJYOZOUBEK-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM C[C@H](Cn1ccc2ccccc21)C(=O)[O-] ZINC000057531605 384953744 /nfs/dbraw/zinc/95/37/44/384953744.db2.gz VZRQCALDRRWTLU-SECBINFHSA-N -1 0 203.241 2.362 50 0 BEAARM Nc1ccc(-c2cccnc2C(=O)[O-])cc1 ZINC000085472236 384948648 /nfs/dbraw/zinc/94/86/48/384948648.db2.gz WDUQFUWQSSRRDB-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM O=C([O-])c1nc2cc(Br)ccc2[nH]1 ZINC000030677813 385021523 /nfs/dbraw/zinc/02/15/23/385021523.db2.gz ULTDLMITPWHISY-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000030677817 385022901 /nfs/dbraw/zinc/02/29/01/385022901.db2.gz CNQZCURJVWLZKT-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM CC[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000086860103 385053855 /nfs/dbraw/zinc/05/38/55/385053855.db2.gz DCNSLQDWJVZTBS-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM CCOc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000086880716 385057069 /nfs/dbraw/zinc/05/70/69/385057069.db2.gz GJWQFCPQHPSNHG-UHFFFAOYSA-N -1 0 235.161 2.197 50 0 BEAARM CSCc1cc(C(=O)[O-])ccc1F ZINC000062766655 385187876 /nfs/dbraw/zinc/18/78/76/385187876.db2.gz OFQRPVIMNPPWMW-UHFFFAOYSA-N -1 0 200.234 2.387 50 0 BEAARM O=C([O-])Cc1csc(-c2ccoc2)n1 ZINC000063046709 385205755 /nfs/dbraw/zinc/20/57/55/385205755.db2.gz AZKWQASCXRSDHI-UHFFFAOYSA-N -1 0 209.226 2.030 50 0 BEAARM CC(C)c1c(=O)[nH]n(-c2ccccc2)c1[S-] ZINC000097978618 385318571 /nfs/dbraw/zinc/31/85/71/385318571.db2.gz USDORNPMKKIIDP-SNVBAGLBSA-N -1 0 234.324 2.137 50 0 BEAARM O=S(=O)([O-])c1ccc(Cl)cc1Cl ZINC000034328748 385278135 /nfs/dbraw/zinc/27/81/35/385278135.db2.gz XCLCLCNSGDHVFE-UHFFFAOYSA-N -1 0 227.068 2.240 50 0 BEAARM O=C([O-])c1ccncc1-c1ccc(O)cc1 ZINC000065347118 385301578 /nfs/dbraw/zinc/30/15/78/385301578.db2.gz LPRGOILDLJZQEH-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM CS[C@@H](C)C(=O)Nc1cc(F)ccc1O ZINC000178328589 385356241 /nfs/dbraw/zinc/35/62/41/385356241.db2.gz SZLQCAJKFJTUBQ-LURJTMIESA-N -1 0 229.276 2.221 50 0 BEAARM O=C([O-])Cn1c2ccccc2nc1C(F)(F)F ZINC000169290100 385412036 /nfs/dbraw/zinc/41/20/36/385412036.db2.gz GPOYZFXQCCJBTF-UHFFFAOYSA-N -1 0 244.172 2.140 50 0 BEAARM O=C([O-])C[C@H]1CSc2ccccc2O1 ZINC000197179000 385525141 /nfs/dbraw/zinc/52/51/41/385525141.db2.gz SCDRFFVQCMNORR-ZETCQYMHSA-N -1 0 210.254 2.014 50 0 BEAARM O=C([O-])c1cncc(-c2ccc3[nH]ccc3c2)n1 ZINC000215434334 385843125 /nfs/dbraw/zinc/84/31/25/385843125.db2.gz VXLUBNKKPGJXSL-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM Cc1csc(NC(=O)c2cc(C)no2)n1 ZINC000007990647 385922065 /nfs/dbraw/zinc/92/20/65/385922065.db2.gz DUWADAYZWCHILG-UHFFFAOYSA-N -1 0 223.257 2.000 50 0 BEAARM O=C([O-])C[C@H]1COc2ccc(Cl)cc2C1=O ZINC000045921832 385934373 /nfs/dbraw/zinc/93/43/73/385934373.db2.gz OLUUTPGWSBFJNQ-LURJTMIESA-N -1 0 240.642 2.006 50 0 BEAARM O=C([O-])[C@H](O)c1ccc(Cl)c(Cl)c1F ZINC000263624867 386159229 /nfs/dbraw/zinc/15/92/29/386159229.db2.gz UUSLYGPIXPFIST-SSDOTTSWSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1c(Cl)ccc([C@@H](O)C(=O)[O-])c1Cl ZINC000263624442 386160104 /nfs/dbraw/zinc/16/01/04/386160104.db2.gz QNQCXCDQLUSXQJ-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM O=C([O-])/C=C/c1cc(OCc2ccccc2)no1 ZINC000001394461 386188538 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/nfs/dbraw/zinc/21/80/03/175218003.db2.gz DJYZDCQILMYJJT-UHFFFAOYSA-N -1 0 245.307 2.488 50 0 BEAARM COc1cccc(-c2cc(C(=O)[O-])no2)c1 ZINC000000810964 175233113 /nfs/dbraw/zinc/23/31/13/175233113.db2.gz MQNOGHHJKQIZKN-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1cccc(-c2c[nH]cc2C(=O)[O-])c1 ZINC000037245322 175233580 /nfs/dbraw/zinc/23/35/80/175233580.db2.gz MWVGZRPLEPVDAB-UHFFFAOYSA-N -1 0 217.224 2.389 50 0 BEAARM COc1cccc(/C=C/C=C\C(=O)[O-])c1 ZINC000016698091 175241106 /nfs/dbraw/zinc/24/11/06/175241106.db2.gz XVWJWKYAUAINIZ-GUYPDVCDSA-N -1 0 204.225 2.349 50 0 BEAARM COc1cccc2c1SC[C@@H](C(=O)[O-])C2 ZINC000034275089 175304935 /nfs/dbraw/zinc/30/49/35/175304935.db2.gz UCLKKLUJRBIKDA-QMMMGPOBSA-N -1 0 224.281 2.044 50 0 BEAARM COc1ccccc1-c1nc(CC(=O)[O-])cs1 ZINC000005175347 175310653 /nfs/dbraw/zinc/31/06/53/175310653.db2.gz UQRCPUCDQWQRNV-UHFFFAOYSA-N -1 0 249.291 2.446 50 0 BEAARM COc1ccccc1[C@]1(C)C[C@H]1C(=O)[O-] ZINC000049813405 175356332 /nfs/dbraw/zinc/35/63/32/175356332.db2.gz PDMBEGHTKKCRMG-CABZTGNLSA-N -1 0 206.241 2.057 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)c1cccc(N(C)C)c1 ZINC000043214230 175643803 /nfs/dbraw/zinc/64/38/03/175643803.db2.gz YEQOPPGGLLRRNR-SNVBAGLBSA-N -1 0 249.310 2.436 50 0 BEAARM C[C@@H](Sc1cnc2ccccc2n1)C(=O)[O-] ZINC000002508386 176010479 /nfs/dbraw/zinc/01/04/79/176010479.db2.gz BXEUQCFQLZLPFJ-SSDOTTSWSA-N -1 0 234.280 2.195 50 0 BEAARM C[C@@H](c1ccc(S(=O)(=O)[O-])cc1)C(F)F ZINC000066325786 176017238 /nfs/dbraw/zinc/01/72/38/176017238.db2.gz UYOIHDXOQCJAHD-LURJTMIESA-N -1 0 236.239 2.302 50 0 BEAARM C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H]1C ZINC000004679854 176121952 /nfs/dbraw/zinc/12/19/52/176121952.db2.gz NIRDHFACMWVWAA-GMTAPVOTSA-N -1 0 241.331 2.182 50 0 BEAARM C[C@H](Oc1cccc2c1OC(C)(C)C2)C(=O)[O-] ZINC000007078267 177024169 /nfs/dbraw/zinc/02/41/69/177024169.db2.gz ALYKTAHHRRYHQO-QMMMGPOBSA-N -1 0 236.267 2.252 50 0 BEAARM C[C@H](Sc1ccc(F)cc1)C(=O)[O-] ZINC000019687173 177029000 /nfs/dbraw/zinc/02/90/00/177029000.db2.gz DCGVRKXPYLZLIS-LURJTMIESA-N -1 0 200.234 2.391 50 0 BEAARM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000034304648 177151105 /nfs/dbraw/zinc/15/11/05/177151105.db2.gz LTNNUMKAWAGPIS-DTWKUNHWSA-N -1 0 243.303 2.107 50 0 BEAARM C[C@H]1CCc2cccc3c([O-])cc(=O)n1c23 ZINC000100631079 177210118 /nfs/dbraw/zinc/21/01/18/177210118.db2.gz RIBPAGAFDHWHFK-QMMMGPOBSA-N -1 0 215.252 2.214 50 0 BEAARM C[C@]1(CC(=O)[O-])OCCc2sccc21 ZINC000002385411 177459595 /nfs/dbraw/zinc/45/95/95/177459595.db2.gz MBZWBAMMUGJINB-SNVBAGLBSA-N -1 0 212.270 2.011 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1cc(F)cc(F)c1 ZINC000036047708 177572516 /nfs/dbraw/zinc/57/25/16/177572516.db2.gz KKSVJUVNHWBSEG-UHFFFAOYSA-N -1 0 238.193 2.157 50 0 BEAARM Cc1c(Cl)ccc2c(=O)cc(C(=O)[O-])[nH]c12 ZINC000062618420 177598169 /nfs/dbraw/zinc/59/81/69/177598169.db2.gz HVVMMXRLTHSOKN-UHFFFAOYSA-N -1 0 237.642 2.188 50 0 BEAARM Cc1c(Cl)ccc(Cl)c1[C@@H](O)C(=O)[O-] ZINC000263625083 177598589 /nfs/dbraw/zinc/59/85/89/177598589.db2.gz WOYCZGUUCNDOES-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)[O-])c1 ZINC000049258553 487944646 /nfs/dbraw/zinc/94/46/46/487944646.db2.gz LFCZHHLXSJFIIM-QLJPJBMISA-N -1 0 240.324 2.025 50 0 BEAARM COc1ccc(-c2cn(C)nc2C(=O)[O-])c(C)c1 ZINC000534647828 323158144 /nfs/dbraw/zinc/15/81/44/323158144.db2.gz NTOPPYITTBGYPS-UHFFFAOYSA-N -1 0 246.266 2.102 50 0 BEAARM CCc1ccccc1-c1cncc(C(=O)[O-])n1 ZINC000534672337 323158828 /nfs/dbraw/zinc/15/88/28/323158828.db2.gz WMIBITKYBNJHFE-UHFFFAOYSA-N -1 0 228.251 2.404 50 0 BEAARM O=C([O-])Cc1coc2c1cc(F)cc2F ZINC000075394000 323939656 /nfs/dbraw/zinc/93/96/56/323939656.db2.gz LILDWZWBKVFDFO-UHFFFAOYSA-N -1 0 212.151 2.338 50 0 BEAARM O=C([O-])[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000536948751 323950382 /nfs/dbraw/zinc/95/03/82/323950382.db2.gz QCHGODCFACBXAX-IVZWLZJFSA-N -1 0 208.644 2.310 50 0 BEAARM CCc1ccc(C(=O)N(C)[C@H](CC)C(=O)[O-])cc1 ZINC000044612062 488006073 /nfs/dbraw/zinc/00/60/73/488006073.db2.gz MHLUMHIZDHNULF-GFCCVEGCSA-N -1 0 249.310 2.184 50 0 BEAARM O=c1c(-c2ccccn2)n[n-]n1-c1ccccc1 ZINC000108807581 487842298 /nfs/dbraw/zinc/84/22/98/487842298.db2.gz WARZFSDKJDYXBZ-UHFFFAOYSA-N -1 0 238.250 2.035 50 0 BEAARM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)c1ccccc1 ZINC000137607396 488182626 /nfs/dbraw/zinc/18/26/26/488182626.db2.gz NARRVCBNCJMXSQ-ZYHUDNBSSA-N -1 0 249.310 2.112 50 0 BEAARM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)c1ccccc1 ZINC000137607252 488183062 /nfs/dbraw/zinc/18/30/62/488183062.db2.gz NARRVCBNCJMXSQ-CMPLNLGQSA-N -1 0 249.310 2.112 50 0 BEAARM Cn1cc(/C=C/C(=O)[O-])c2ccccc21 ZINC000008628450 490047661 /nfs/dbraw/zinc/04/76/61/490047661.db2.gz YEDWQKRESZUTAZ-VOTSOKGWSA-N -1 0 201.225 2.276 50 0 biogenic BEAARM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)c2ccccc21 ZINC000154800445 524757724 /nfs/dbraw/zinc/75/77/24/524757724.db2.gz GDNCXZUUKYEBQE-SECBINFHSA-N -1 0 245.278 2.002 50 0 BEAARM CCOc1ccc(C([O-])=CC(C)=O)cc1 ZINC000101835723 582536274 /nfs/dbraw/zinc/53/62/74/582536274.db2.gz URXDSLQKUZGZSZ-UHFFFAOYSA-N -1 0 206.241 2.247 50 0 BEAARM Cc1cccc([S@](=O)[O-])c1Br ZINC000306537724 582652586 /nfs/dbraw/zinc/65/25/86/582652586.db2.gz RRCVJMJPIMRPNC-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@@]1(C)CC(=O)[O-] ZINC000258258796 634608455 /nfs/dbraw/zinc/60/84/55/634608455.db2.gz BITMKUYDJJJZPD-LBPRGKRZSA-N -1 0 243.303 2.251 50 0 BEAARM CSc1nc(C)nc(-c2ccccc2[O-])n1 ZINC000000227316 642762213 /nfs/dbraw/zinc/76/22/13/642762213.db2.gz WDIRBOUKGLUROE-UHFFFAOYSA-N -1 0 233.296 2.275 50 0 BEAARM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000238193898 642796406 /nfs/dbraw/zinc/79/64/06/642796406.db2.gz PSTAFIGHNPLGIN-GFCCVEGCSA-N -1 0 245.319 2.401 50 0 BEAARM Cc1nc(-c2ccc(C(=O)[O-])s2)c[nH]1 ZINC000067784326 711479084 /nfs/dbraw/zinc/47/90/84/711479084.db2.gz PEGXXIRUMRONPL-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM O=C([O-])c1cc2c3ccccc3[nH]c2c(=O)s1 ZINC000950756131 974038100 /nfs/dbraw/zinc/03/81/00/974038100.db2.gz RNLHXOVXWAAWES-UHFFFAOYSA-N -1 0 245.259 2.441 50 0 BEAARM Cc1cc(COc2ccc(C(=O)[O-])cc2)no1 ZINC000013035667 178049392 /nfs/dbraw/zinc/04/93/92/178049392.db2.gz YBCVGHKCKKLVGT-UHFFFAOYSA-N -1 0 233.223 2.260 50 0 BEAARM Cc1cc(Cl)c([C@H](O)C(=O)[O-])c(Cl)c1 ZINC000263623367 178060494 /nfs/dbraw/zinc/06/04/94/178060494.db2.gz GUYUXBOPORQVHW-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM O=[S@@]([O-])Cc1ccccc1Br ZINC000164372849 538932590 /nfs/dbraw/zinc/93/25/90/538932590.db2.gz BHQVBGKKCVKXHE-UHFFFAOYSA-N -1 0 235.102 2.171 50 0 BEAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)ncn1 ZINC000011849385 178191781 /nfs/dbraw/zinc/19/17/81/178191781.db2.gz ZXPZQTRDPBWHJS-UHFFFAOYSA-N -1 0 229.239 2.227 50 0 BEAARM Cc1cc(=O)n(-c2nc3ccccc3s2)[n-]1 ZINC000100027665 178201508 /nfs/dbraw/zinc/20/15/08/178201508.db2.gz SFDWEKOJBZWJCN-UHFFFAOYSA-N -1 0 231.280 2.496 50 0 BEAARM Cc1cc(OCC(=O)[O-])ccc1Br ZINC000000054738 178209197 /nfs/dbraw/zinc/20/91/97/178209197.db2.gz XBWSIQZJWUSHEH-UHFFFAOYSA-N -1 0 245.072 2.221 50 0 BEAARM Cc1cc2c(cc1C)/C(=C/C(=O)[O-])CO2 ZINC000094993340 178285350 /nfs/dbraw/zinc/28/53/50/178285350.db2.gz HXPXXYDBWSKERH-WEVVVXLNSA-N -1 0 204.225 2.164 50 0 BEAARM O=C([O-])c1cnc(Cl)n1Cc1ccccc1 ZINC000076683520 398245075 /nfs/dbraw/zinc/24/50/75/398245075.db2.gz COJXJVLIQILNDJ-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM CC(C)=CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000020587505 259308827 /nfs/dbraw/zinc/30/88/27/259308827.db2.gz RRPPJKQGVAMRMU-UHFFFAOYSA-N -1 0 233.267 2.218 50 0 BEAARM Cc1cc2oc(C(=O)[O-])cc(=O)c2cc1Cl ZINC000000057737 178306689 /nfs/dbraw/zinc/30/66/89/178306689.db2.gz UAOFSXACYWSXCJ-UHFFFAOYSA-N -1 0 238.626 2.453 50 0 BEAARM Cc1[nH]nc(-c2ccc(C)cc2)c1CC(=O)[O-] ZINC000044901406 178316270 /nfs/dbraw/zinc/31/62/70/178316270.db2.gz IVKUROUAMFNIQW-UHFFFAOYSA-N -1 0 230.267 2.321 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1C ZINC000026420228 178319626 /nfs/dbraw/zinc/31/96/26/178319626.db2.gz JRJNMHXLWSFKSA-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM Cc1ccc(-c2nc(C(=O)[O-])cs2)o1 ZINC000032627514 178332737 /nfs/dbraw/zinc/33/27/37/178332737.db2.gz YPGXXQWBQAXFNE-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2Cl)N1 ZINC000000080579 342673528 /nfs/dbraw/zinc/67/35/28/342673528.db2.gz JMNONJXMGLSVNV-DTWKUNHWSA-N -1 0 243.715 2.128 50 0 BEAARM Cc1cn(CCC(=O)[O-])c2ccccc12 ZINC000000108223 342674767 /nfs/dbraw/zinc/67/47/67/342674767.db2.gz YJMBLVFDTDJZFE-UHFFFAOYSA-N -1 0 203.241 2.424 50 0 BEAARM CC[C@H](Nc1ncnc2ccc(C)cc21)C(=O)[O-] ZINC000000122954 342675715 /nfs/dbraw/zinc/67/57/15/342675715.db2.gz PFDYUSVIMPBSPD-JTQLQIEISA-N -1 0 245.282 2.213 50 0 BEAARM COC(=O)C=C([O-])c1ccccc1Cl ZINC000000153865 342677426 /nfs/dbraw/zinc/67/74/26/342677426.db2.gz DMVAIJCMWPNOKV-UHFFFAOYSA-N -1 0 212.632 2.086 50 0 BEAARM COC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000000153862 342677440 /nfs/dbraw/zinc/67/74/40/342677440.db2.gz OIPOJEDRCKVDJK-UHFFFAOYSA-N -1 0 212.632 2.086 50 0 BEAARM COC(=O)C=C([O-])c1cccc(C(F)(F)F)c1 ZINC000000153854 342677448 /nfs/dbraw/zinc/67/74/48/342677448.db2.gz RPRMYRPHNDGZOY-UHFFFAOYSA-N -1 0 246.184 2.451 50 0 BEAARM O=C([O-])c1cc2cccnc2nc1C(F)(F)F ZINC000000154198 342677686 /nfs/dbraw/zinc/67/76/86/342677686.db2.gz VADNFSJODZWNRD-UHFFFAOYSA-N -1 0 242.156 2.347 50 0 BEAARM CC(C)n1cc(C(=O)[O-])c(=O)c2ccccc21 ZINC000000168695 342679040 /nfs/dbraw/zinc/67/90/40/342679040.db2.gz GMQZCXRSOWOGAH-UHFFFAOYSA-N -1 0 231.251 2.281 50 0 BEAARM O=C([O-])[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000000259651 342681569 /nfs/dbraw/zinc/68/15/69/342681569.db2.gz MYGBXELIXXVZAA-VIFPVBQESA-N -1 0 246.266 2.129 50 0 BEAARM CCOc1cc2c(cc1C(=O)[O-])O[C@@H](C)C2 ZINC000006086120 342681636 /nfs/dbraw/zinc/68/16/36/342681636.db2.gz ODSXOISFTLLYEQ-ZETCQYMHSA-N -1 0 222.240 2.107 50 0 BEAARM Nc1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000000388319 342685762 /nfs/dbraw/zinc/68/57/62/342685762.db2.gz HSSBORCLYSCBJR-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 in-vitro BEAARM O=C([O-])c1cccn1Cc1ccccc1 ZINC000000012452 342669734 /nfs/dbraw/zinc/66/97/34/342669734.db2.gz OGGDCEFWAMGBOB-UHFFFAOYSA-N -1 0 201.225 2.235 50 0 BEAARM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000000858800 342693797 /nfs/dbraw/zinc/69/37/97/342693797.db2.gz OPPMQFXQMJPMMZ-GFCCVEGCSA-N -1 0 249.310 2.088 50 0 BEAARM Nc1cc(C(F)(F)F)ccc1NCCC(=O)[O-] ZINC000001399577 342699954 /nfs/dbraw/zinc/69/99/54/342699954.db2.gz OZNJVHOVWWAFJN-UHFFFAOYSA-N -1 0 248.204 2.174 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000001420808 342700487 /nfs/dbraw/zinc/70/04/87/342700487.db2.gz QZYGREZDLJVVSV-SECBINFHSA-N -1 0 243.303 2.108 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000001433075 342700795 /nfs/dbraw/zinc/70/07/95/342700795.db2.gz QJEQJDJFJWWURK-DTWKUNHWSA-N -1 0 243.303 2.155 50 0 BEAARM O=C([O-])c1cnc(Cl)cc1C(F)(F)F ZINC000001529131 342702481 /nfs/dbraw/zinc/70/24/81/342702481.db2.gz BULUOEXUXOKCIG-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1[nH]c2c(cccc2C)c1CC(=O)[O-] ZINC000001577689 342704023 /nfs/dbraw/zinc/70/40/23/342704023.db2.gz JLNVPHNEFPHGPD-UHFFFAOYSA-N -1 0 203.241 2.412 50 0 BEAARM CO[C@](C(=O)[O-])(c1ccccc1)C(F)(F)F ZINC000001587357 342704601 /nfs/dbraw/zinc/70/46/01/342704601.db2.gz JJYKJUXBWFATTE-VIFPVBQESA-N -1 0 234.173 2.175 50 0 BEAARM CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000002383269 342719631 /nfs/dbraw/zinc/71/96/31/342719631.db2.gz VQFVDOPXDRISGF-GFCCVEGCSA-N -1 0 220.268 2.417 50 0 BEAARM CCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000004206799 342744209 /nfs/dbraw/zinc/74/42/09/342744209.db2.gz VMDXPDNFJCQRSN-UHFFFAOYSA-N -1 0 224.256 2.327 50 0 BEAARM CC(C)(C)c1ccccc1OCC(=O)[O-] ZINC000004206272 342744351 /nfs/dbraw/zinc/74/43/51/342744351.db2.gz JGLOJHIYXGMZEW-UHFFFAOYSA-N -1 0 208.257 2.448 50 0 BEAARM CCCCOc1ccccc1CC(=O)[O-] ZINC000004237797 342745136 /nfs/dbraw/zinc/74/51/36/342745136.db2.gz GDVFKEUCAFZRKK-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM Cc1c(C)n(C)c2ccc(C(=O)[O-])cc12 ZINC000004244983 342745318 /nfs/dbraw/zinc/74/53/18/342745318.db2.gz WMRXNYCNGNFJOH-UHFFFAOYSA-N -1 0 203.241 2.493 50 0 BEAARM CCCn1nc(C)c2c1nc(C)cc2C(=O)[O-] ZINC000004294518 342746244 /nfs/dbraw/zinc/74/62/44/342746244.db2.gz ALWQIHWLNLCNJZ-UHFFFAOYSA-N -1 0 233.271 2.156 50 0 BEAARM CCC1C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C ZINC000004520325 342748494 /nfs/dbraw/zinc/74/84/94/342748494.db2.gz ZFDSDXRJWFPDBM-UHFFFAOYSA-N -1 0 246.266 2.147 50 0 BEAARM CCOc1cccc(OCC)c1C(=O)[O-] ZINC000002530984 342722962 /nfs/dbraw/zinc/72/29/62/342722962.db2.gz XUIVSLVJEQVKLB-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM COc1cc(C)c(/C=C/C(=O)[O-])cc1C ZINC000002569457 342724835 /nfs/dbraw/zinc/72/48/35/342724835.db2.gz IOIBAKWPAAWBAN-SNAWJCMRSA-N -1 0 206.241 2.410 50 0 BEAARM O=C([O-])c1ccc(O)cc1C(F)(F)F ZINC000002572876 342724944 /nfs/dbraw/zinc/72/49/44/342724944.db2.gz CSQAVQLFCBRQJM-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM CCOc1ccc(OCCCC(=O)[O-])cc1 ZINC000003276916 342732199 /nfs/dbraw/zinc/73/21/99/342732199.db2.gz ZXZNQXICNJXQOQ-UHFFFAOYSA-N -1 0 224.256 2.329 50 0 BEAARM Cc1cc(C)n(-c2cccc(C(=O)[O-])c2)n1 ZINC000004973930 342755398 /nfs/dbraw/zinc/75/53/98/342755398.db2.gz YZVUPMIJNADPAB-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Nc1c2ccccc2oc1C(=O)CCC(=O)[O-] ZINC000005685469 342768439 /nfs/dbraw/zinc/76/84/39/342768439.db2.gz NZYXZRYWWZVULL-UHFFFAOYSA-N -1 0 233.223 2.063 50 0 BEAARM Cc1ccc2[nH]c(SCC(=O)[O-])nc2c1 ZINC000006160964 342774539 /nfs/dbraw/zinc/77/45/39/342774539.db2.gz BINCCLNWCUYMIO-UHFFFAOYSA-N -1 0 222.269 2.048 50 0 BEAARM CCOc1ccc([C@H](O)CCC(=O)[O-])cc1C ZINC000006678497 342780973 /nfs/dbraw/zinc/78/09/73/342780973.db2.gz MXEQIRCHABLPOO-LLVKDONJSA-N -1 0 238.283 2.292 50 0 BEAARM CSc1ccccc1NC(=O)CCC(=O)[O-] ZINC000006700364 342781152 /nfs/dbraw/zinc/78/11/52/342781152.db2.gz VKNIHGOGNLOYHH-UHFFFAOYSA-N -1 0 239.296 2.212 50 0 BEAARM CCc1c(C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000006773588 342782894 /nfs/dbraw/zinc/78/28/94/342782894.db2.gz KQONHMSVIICDKY-UHFFFAOYSA-N -1 0 230.267 2.441 50 0 BEAARM COc1c(C)cc(-c2cc(C(=O)[O-])n[nH]2)cc1C ZINC000006849002 342784772 /nfs/dbraw/zinc/78/47/72/342784772.db2.gz SKPBEHUHVBALDU-UHFFFAOYSA-N -1 0 246.266 2.400 50 0 BEAARM CSc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000402353 342788310 /nfs/dbraw/zinc/78/83/10/342788310.db2.gz QFJJRSUSZFGQIS-UHFFFAOYSA-N -1 0 239.296 2.212 50 0 BEAARM CCCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000011799403 342843575 /nfs/dbraw/zinc/84/35/75/342843575.db2.gz BCGAQLXZWYPDCJ-SECBINFHSA-N -1 0 208.257 2.491 50 0 BEAARM CC(C)c1ccc(N2CC[C@H](C(=O)[O-])C2=O)cc1 ZINC000011890899 342844372 /nfs/dbraw/zinc/84/43/72/342844372.db2.gz OMXHAZIHQOVUIM-LBPRGKRZSA-N -1 0 247.294 2.248 50 0 BEAARM O=C([O-])c1cc(Cn2cc(Cl)cn2)cs1 ZINC000012357629 342849872 /nfs/dbraw/zinc/84/98/72/342849872.db2.gz WGFXMSKSEJEUQC-UHFFFAOYSA-N -1 0 242.687 2.345 50 0 BEAARM C[C@H](C(=O)[O-])n1nc(C(F)(F)F)c2c1CCC2 ZINC000012394747 342851040 /nfs/dbraw/zinc/85/10/40/342851040.db2.gz WMFULLMJQHHBFB-RXMQYKEDSA-N -1 0 248.204 2.036 50 0 BEAARM CCc1c(C(=O)[O-])nnn1-c1cc(C)ccc1C ZINC000011888071 342843943 /nfs/dbraw/zinc/84/39/43/342843943.db2.gz UCRKKBFUQXVPNP-UHFFFAOYSA-N -1 0 245.282 2.145 50 0 BEAARM COC(=O)[C@H](C)Sc1ccccc1C(=O)[O-] ZINC000012909274 342860788 /nfs/dbraw/zinc/86/07/88/342860788.db2.gz NSQPVTWCPSPXRF-ZETCQYMHSA-N -1 0 240.280 2.038 50 0 BEAARM O=C([O-])c1ccc(CSC(F)F)o1 ZINC000012759594 342857396 /nfs/dbraw/zinc/85/73/96/342857396.db2.gz QUJDUFZQRQXIQK-UHFFFAOYSA-N -1 0 208.185 2.434 50 0 BEAARM Nc1c(Cl)nc(C(F)(F)F)[n-]c1=S ZINC000017315217 342923480 /nfs/dbraw/zinc/92/34/80/342923480.db2.gz JXDFDKSHBPFNSD-UHFFFAOYSA-N -1 0 229.614 2.020 50 0 BEAARM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)[O-])CC1 ZINC000016697125 342914508 /nfs/dbraw/zinc/91/45/08/342914508.db2.gz RZQHJTNUKFLYEA-VIFPVBQESA-N -1 0 243.303 2.108 50 0 BEAARM CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000016873036 342916315 /nfs/dbraw/zinc/91/63/15/342916315.db2.gz SZFVVORRSYZEMM-VIFPVBQESA-N -1 0 231.654 2.166 50 0 biogenic BEAARM O=C([O-])[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000019505089 342949840 /nfs/dbraw/zinc/94/98/40/342949840.db2.gz LEPUWBXPJLLGGA-QMMMGPOBSA-N -1 0 234.173 2.391 50 0 BEAARM Nc1ccccc1C1(C(=O)[O-])CCCC1 ZINC000019737454 342955837 /nfs/dbraw/zinc/95/58/37/342955837.db2.gz OWHVGUAMYMHUSD-UHFFFAOYSA-N -1 0 205.257 2.165 50 0 BEAARM Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000021982613 343031473 /nfs/dbraw/zinc/03/14/73/343031473.db2.gz IZZMZATWWAVDRK-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM O=c1oc2c(cc([O-])cc2Cl)s1 ZINC000238718057 343077084 /nfs/dbraw/zinc/07/70/84/343077084.db2.gz FFPXWDDLTZVNTK-UHFFFAOYSA-N -1 0 202.618 2.214 50 0 BEAARM O=C([O-])c1cncc(-c2ccc(O)cc2)c1 ZINC000032002814 343227769 /nfs/dbraw/zinc/22/77/69/343227769.db2.gz DRHYGHNDVGOJDZ-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM O=C([O-])c1ccccc1NC(=O)N1CCCC1 ZINC000032500452 343236625 /nfs/dbraw/zinc/23/66/25/343236625.db2.gz QAOIGTCTZRIIDN-UHFFFAOYSA-N -1 0 234.255 2.013 50 0 BEAARM O=C([O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000032628423 343239126 /nfs/dbraw/zinc/23/91/26/343239126.db2.gz ZNFFXFYIHZSXFP-UHFFFAOYSA-N -1 0 220.253 2.233 50 0 BEAARM O=C([O-])c1cn(-c2cccc(Cl)c2)cn1 ZINC000034212113 343266420 /nfs/dbraw/zinc/26/64/20/343266420.db2.gz HHWKHAWQTUZKNW-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=[S@@]([O-])c1cccc(C(F)(F)F)c1 ZINC000034263733 343267345 /nfs/dbraw/zinc/26/73/45/343267345.db2.gz BERBFBIGYCTRGE-UHFFFAOYSA-N -1 0 210.176 2.286 50 0 BEAARM Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000034519769 343274345 /nfs/dbraw/zinc/27/43/45/343274345.db2.gz XAOHJLJMIDUPHF-UHFFFAOYSA-N -1 0 241.246 2.198 50 0 BEAARM CC(C)(C)CC(C)(C)N1C[C@@H](C(=O)[O-])CC1=O ZINC000034927183 343280814 /nfs/dbraw/zinc/28/08/14/343280814.db2.gz ADEBQTLEBIFKRN-VIFPVBQESA-N -1 0 241.331 2.134 50 0 BEAARM CC(C)(C)CC(C)(C)N1C[C@H](C(=O)[O-])CC1=O ZINC000034927182 343281018 /nfs/dbraw/zinc/28/10/18/343281018.db2.gz ADEBQTLEBIFKRN-SECBINFHSA-N -1 0 241.331 2.134 50 0 BEAARM O=[S@@]([O-])c1ccccc1C(F)(F)F ZINC000036533520 343319889 /nfs/dbraw/zinc/31/98/89/343319889.db2.gz FASZKWCPQAQPOX-UHFFFAOYSA-N -1 0 210.176 2.286 50 0 BEAARM [O-]c1c(F)ccc(F)c1Br ZINC000036533223 343319985 /nfs/dbraw/zinc/31/99/85/343319985.db2.gz DQVYERDCGYVMRV-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=C([O-])c1csc(-c2ccc(O)cc2)n1 ZINC000036893219 343326561 /nfs/dbraw/zinc/32/65/61/343326561.db2.gz YSKMZPAUCUGNFT-UHFFFAOYSA-N -1 0 221.237 2.214 50 0 BEAARM CC(C)c1ccc(-n2cc(O)c(C(=O)[O-])n2)cc1 ZINC000037010702 343330701 /nfs/dbraw/zinc/33/07/01/343330701.db2.gz DCYGDFVXIAZLKG-UHFFFAOYSA-N -1 0 246.266 2.400 50 0 BEAARM Cn1c(CCC(=O)[O-])nc2ccc(Cl)cc21 ZINC000038436416 343374988 /nfs/dbraw/zinc/37/49/88/343374988.db2.gz XPWJLVHVDASFMS-UHFFFAOYSA-N -1 0 238.674 2.244 50 0 BEAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CCC1(C)C ZINC000039778407 343392656 /nfs/dbraw/zinc/39/26/56/343392656.db2.gz SFPBDVPSCZYAHV-MRVPVSSYSA-N -1 0 243.303 2.249 50 0 BEAARM COc1cc(C(C)=O)ccc1SCC(=O)[O-] ZINC000039947648 343393905 /nfs/dbraw/zinc/39/39/05/343393905.db2.gz DOYMHSDPBNBENE-UHFFFAOYSA-N -1 0 240.280 2.075 50 0 BEAARM Cc1c(Cl)cccc1NC(=O)C=N[O-] ZINC000379397417 343394132 /nfs/dbraw/zinc/39/41/32/343394132.db2.gz IHHFOAAMOXRQLA-UHFFFAOYSA-N -1 0 212.636 2.047 50 0 BEAARM COC(=O)C=C([O-])c1ccc(C)cc1C ZINC000041214570 343417204 /nfs/dbraw/zinc/41/72/04/343417204.db2.gz OYAQLGZENBVVRZ-UHFFFAOYSA-N -1 0 206.241 2.049 50 0 BEAARM O=C([O-])c1ccccc1COc1cccnc1 ZINC000042784239 343454127 /nfs/dbraw/zinc/45/41/27/343454127.db2.gz RQKQMTIIYQABDD-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM C[C@@H](C(=O)[O-])n1ccnc1-c1ccccc1 ZINC000044353373 343498840 /nfs/dbraw/zinc/49/88/40/343498840.db2.gz JQCIZZBJPBAXOQ-VIFPVBQESA-N -1 0 216.240 2.196 50 0 BEAARM Cc1oc(-c2ccccc2)nc1CC(=O)[O-] ZINC000049632716 343604622 /nfs/dbraw/zinc/60/46/22/343604622.db2.gz XEWJNPORMBGGKZ-UHFFFAOYSA-N -1 0 217.224 2.277 50 0 BEAARM O=C([O-])c1cccc(-c2ccnc(Cl)n2)c1 ZINC000114658053 344692623 /nfs/dbraw/zinc/69/26/23/344692623.db2.gz BDGHZCIREYKVKH-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1ccc2cc(S(=O)(=O)[O-])ccc2c1 ZINC000034279126 178969224 /nfs/dbraw/zinc/96/92/24/178969224.db2.gz UGDHIURSEUVFCE-UHFFFAOYSA-N -1 0 222.265 2.395 50 0 BEAARM Cc1ccc2[nH]c(CCCC(=O)[O-])nc2c1 ZINC000005818386 178974041 /nfs/dbraw/zinc/97/40/41/178974041.db2.gz GUDKLOGDDMOAHG-UHFFFAOYSA-N -1 0 218.256 2.279 50 0 BEAARM Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000021958933 179007681 /nfs/dbraw/zinc/00/76/81/179007681.db2.gz DIDOKOLOHVIZJC-GFCCVEGCSA-N -1 0 247.294 2.074 50 0 BEAARM O=[S@@]([O-])c1ccc(Br)c(F)c1 ZINC000162610452 346530141 /nfs/dbraw/zinc/53/01/41/346530141.db2.gz DYKDPZMRMTWZFG-UHFFFAOYSA-N -1 0 239.065 2.169 50 0 BEAARM Cc1cccc(OCC(C)(C)C(=O)[O-])c1 ZINC000008730682 179163090 /nfs/dbraw/zinc/16/30/90/179163090.db2.gz SUVJPLJPCOHDBK-UHFFFAOYSA-N -1 0 208.257 2.485 50 0 BEAARM Cc1cccc(O[C@@H](C(=O)[O-])C(C)C)c1 ZINC000011954142 179172952 /nfs/dbraw/zinc/17/29/52/179172952.db2.gz VNGYPVYWLSMETA-LLVKDONJSA-N -1 0 208.257 2.483 50 0 BEAARM CCN(C(C)=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000016622697 347196006 /nfs/dbraw/zinc/19/60/06/347196006.db2.gz UFXPGUQZGBGKBM-UHFFFAOYSA-N -1 0 241.674 2.411 50 0 BEAARM CCCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000016623632 347196033 /nfs/dbraw/zinc/19/60/33/347196033.db2.gz JAXLSEBMSBXMPO-UHFFFAOYSA-N -1 0 221.256 2.432 50 0 BEAARM Cc1cccc2sc(N(C)CC(=O)[O-])nc21 ZINC000074934168 179233873 /nfs/dbraw/zinc/23/38/73/179233873.db2.gz PIJQMJLUXFEBML-UHFFFAOYSA-N -1 0 236.296 2.126 50 0 BEAARM Cc1ccccc1-c1cc(C(=O)[O-])no1 ZINC000026420307 179235846 /nfs/dbraw/zinc/23/58/46/179235846.db2.gz WYRHIMMIRUNJQP-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1nn(-c2ccccc2C)c(C)c1CC(=O)[O-] ZINC000004985169 179242742 /nfs/dbraw/zinc/24/27/42/179242742.db2.gz NRENHSAYZLBLGR-UHFFFAOYSA-N -1 0 244.294 2.425 50 0 BEAARM Cc1ccccc1C1(C(=O)[O-])CCOCC1 ZINC000013483685 179255314 /nfs/dbraw/zinc/25/53/14/179255314.db2.gz GJTUCHXNPLAZDW-UHFFFAOYSA-N -1 0 220.268 2.128 50 0 BEAARM COc1ccc2c(c1)C(=O)CCC(C(=O)[O-])=C2 ZINC000019865618 348575890 /nfs/dbraw/zinc/57/58/90/348575890.db2.gz PCMZPZCBFFWGPK-UHFFFAOYSA-N -1 0 232.235 2.140 50 0 BEAARM CC1(C)S[C@H](c2ccsc2)N[C@H]1C(=O)[O-] ZINC000002571086 187410207 /nfs/dbraw/zinc/41/02/07/187410207.db2.gz QOMMCXODIHCENQ-JGVFFNPUSA-N -1 0 243.353 2.315 50 0 BEAARM Nc1ccc(C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000022018837 350067740 /nfs/dbraw/zinc/06/77/40/350067740.db2.gz OBEQANYTGDITJM-UHFFFAOYSA-N -1 0 241.246 2.198 50 0 BEAARM Cc1nc2c(cnn2C(C)C)cc1C(=O)[O-] ZINC000008037266 180070539 /nfs/dbraw/zinc/07/05/39/180070539.db2.gz PRHJJQGNCUDYOZ-UHFFFAOYSA-N -1 0 219.244 2.019 50 0 BEAARM Cc1nc2ccccn2c1-c1n[n-]c(=S)o1 ZINC000006527582 180105302 /nfs/dbraw/zinc/10/53/02/180105302.db2.gz SHOQNFLBBCTXLN-UHFFFAOYSA-N -1 0 232.268 2.355 50 0 BEAARM Cc1ncc2c(c1-c1nn[nH]n1)[C@H](C)CCC2 ZINC000072447021 180176713 /nfs/dbraw/zinc/17/67/13/180176713.db2.gz SAAWELMYDUBGJI-SSDOTTSWSA-N -1 0 229.287 2.010 50 0 BEAARM Cc1nccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000011114367 180180287 /nfs/dbraw/zinc/18/02/87/180180287.db2.gz FEFYAEMOUDCWQF-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1nn(-c2cccc(F)c2)c(C(=O)[O-])c1C ZINC000008887724 180328824 /nfs/dbraw/zinc/32/88/24/180328824.db2.gz WNJYPGNXSMVHRD-UHFFFAOYSA-N -1 0 234.230 2.326 50 0 BEAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)[O-] ZINC000000294880 180329736 /nfs/dbraw/zinc/32/97/36/180329736.db2.gz MPWLWTMWAUYATE-UHFFFAOYSA-N -1 0 230.267 2.116 50 0 BEAARM Cc1n[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000075300689 180430739 /nfs/dbraw/zinc/43/07/39/180430739.db2.gz YKKXAVGKVIJBBX-UHFFFAOYSA-N -1 0 215.278 2.194 50 0 BEAARM Cc1onc(C(=O)[O-])c1-c1ccccc1 ZINC000082531817 180551734 /nfs/dbraw/zinc/55/17/34/180551734.db2.gz DPAWBADSUUGNQR-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1onc(-c2ccccc2F)c1C(=O)[O-] ZINC000004384202 180552116 /nfs/dbraw/zinc/55/21/16/180552116.db2.gz ZSDKQOQGZGDHNC-UHFFFAOYSA-N -1 0 221.187 2.487 50 0 BEAARM O=Cc1ccc(-c2ccccc2C(=O)[O-])cn1 ZINC000725271877 538103330 /nfs/dbraw/zinc/10/33/30/538103330.db2.gz JUOYWMJTASXJGC-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM O=C([O-])c1ccc(F)c(COCC2CC2)c1 ZINC000062761995 187784337 /nfs/dbraw/zinc/78/43/37/187784337.db2.gz TZOUSMITFYIHON-UHFFFAOYSA-N -1 0 224.231 2.451 50 0 BEAARM Nc1ccc([C@@H](CC(=O)[O-])n2cccc2)cc1 ZINC000004052853 352632812 /nfs/dbraw/zinc/63/28/12/352632812.db2.gz WENHWQURZXLMAE-GFCCVEGCSA-N -1 0 230.267 2.134 50 0 BEAARM Cn1nc(-c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000071548612 180798263 /nfs/dbraw/zinc/79/82/63/180798263.db2.gz MLDPVIHHQPPLQW-UHFFFAOYSA-N -1 0 238.193 2.064 50 0 BEAARM O=C1NC(=O)C(=Cc2ccc(F)cc2F)S1 ZINC000004108394 188097156 /nfs/dbraw/zinc/09/71/56/188097156.db2.gz NQPOASFVPDVMMW-FPYGCLRLSA-N -1 0 241.218 2.289 50 0 BEAARM CCc1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000011802018 363206803 /nfs/dbraw/zinc/20/68/03/363206803.db2.gz JXNJWWCPXGUPQR-UHFFFAOYSA-N -1 0 216.240 2.133 50 0 BEAARM CCc1ccccc1NC(=O)CCCC(=O)[O-] ZINC000000398457 188099787 /nfs/dbraw/zinc/09/97/87/188099787.db2.gz RXFPRKUYZHWUIJ-UHFFFAOYSA-N -1 0 235.283 2.442 50 0 BEAARM CC(=O)c1[nH]c2ccccc2c1C(=O)[O-] ZINC000003030524 188101075 /nfs/dbraw/zinc/10/10/75/188101075.db2.gz SIFWJAMUHPEUPM-UHFFFAOYSA-N -1 0 203.197 2.069 50 0 BEAARM Cc1ccc(F)cc1C(=O)CCC(=O)[O-] ZINC000002580140 188101192 /nfs/dbraw/zinc/10/11/92/188101192.db2.gz TYPYYKDDDSORJQ-UHFFFAOYSA-N -1 0 210.204 2.182 50 0 BEAARM CN(C)c1cccc(C(=O)CCCC(=O)[O-])c1 ZINC000043214144 188121333 /nfs/dbraw/zinc/12/13/33/188121333.db2.gz BYOWZVUTTNMZLP-UHFFFAOYSA-N -1 0 235.283 2.190 50 0 BEAARM O=C([O-])c1nc(C(F)(F)F)n2ccccc12 ZINC000083253242 188121793 /nfs/dbraw/zinc/12/17/93/188121793.db2.gz FSRQRDWXNRRZMD-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM O=C([O-])c1ccc(Cl)cc1NC(=O)C1CC1 ZINC000013186743 188106387 /nfs/dbraw/zinc/10/63/87/188106387.db2.gz BIOYPGSXTQKCRC-UHFFFAOYSA-N -1 0 239.658 2.387 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H](CC(C)(C)F)C(=O)[O-] ZINC000095802999 188146282 /nfs/dbraw/zinc/14/62/82/188146282.db2.gz RNHJCMLXWLYJPF-ZETCQYMHSA-N -1 0 249.282 2.103 50 0 BEAARM O=C([O-])c1nc(-c2cccnc2)n2ccccc12 ZINC000020222664 188175178 /nfs/dbraw/zinc/17/51/78/188175178.db2.gz CFOQSFLDZDIDGT-UHFFFAOYSA-N -1 0 239.234 2.095 50 0 BEAARM O=C([O-])c1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000006953790 188458638 /nfs/dbraw/zinc/45/86/38/188458638.db2.gz DHRPCXYIVJXXJR-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC(C)c1cccc(S(=O)(=O)[O-])c1 ZINC000034320371 356367411 /nfs/dbraw/zinc/36/74/11/356367411.db2.gz LKZCORJDGGIJBV-UHFFFAOYSA-N -1 0 200.259 2.057 50 0 BEAARM COc1ccc(C23CC(C(=O)[O-])(C2)C3)cc1 ZINC000034217414 356367555 /nfs/dbraw/zinc/36/75/55/356367555.db2.gz FAVDDMXMFIJQSX-UHFFFAOYSA-N -1 0 218.252 2.202 50 0 BEAARM Cc1ncsc1-c1noc(C)c1C(=O)[O-] ZINC000675057977 538480907 /nfs/dbraw/zinc/48/09/07/538480907.db2.gz TUUSTORSQWGANO-UHFFFAOYSA-N -1 0 224.241 2.113 50 0 BEAARM Cc1ccsc1-c1cnc(C(=O)[O-])nc1 ZINC000675070249 538500205 /nfs/dbraw/zinc/50/02/05/538500205.db2.gz TYVNQJJKVWGHBC-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM CC(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000008907302 357138743 /nfs/dbraw/zinc/13/87/43/357138743.db2.gz XEELXERBOYUNPA-UHFFFAOYSA-N -1 0 235.283 2.298 50 0 BEAARM COC(=O)CCCCCCCCC(=O)[O-] ZINC000001845667 358145245 /nfs/dbraw/zinc/14/52/45/358145245.db2.gz OSYQOBUUFRGFNG-UHFFFAOYSA-N -1 0 216.277 2.365 50 0 BEAARM Cc1ccc(O)c(C(=O)CCCC(=O)[O-])c1 ZINC000005542029 360493115 /nfs/dbraw/zinc/49/31/15/360493115.db2.gz LSRKEDUXVFACQU-UHFFFAOYSA-N -1 0 222.240 2.138 50 0 BEAARM Cc1cccc(-n2[n-]c3c(c2=O)CCCC3)c1 ZINC000017832022 368984445 /nfs/dbraw/zinc/98/44/45/368984445.db2.gz XODZKZMVGGKPSE-UHFFFAOYSA-N -1 0 228.295 2.353 50 0 BEAARM Cc1ccc(C=NNc2nc(C)cc(=O)[nH]2)s1 ZINC000245283720 373250292 /nfs/dbraw/zinc/25/02/92/373250292.db2.gz OKGHVXPBZOPVEN-UHFFFAOYSA-N -1 0 248.311 2.307 50 0 BEAARM O=C([O-])c1ccccc1NC(=O)c1ccncc1 ZINC000003055281 182378229 /nfs/dbraw/zinc/37/82/29/182378229.db2.gz CMJFMGCZYUEILA-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])CC(C(F)(F)F)C(F)(F)F ZINC000002560306 182430974 /nfs/dbraw/zinc/43/09/74/182430974.db2.gz BXOJQJKUSQRUKV-UHFFFAOYSA-N -1 0 210.073 2.202 50 0 BEAARM O=C([O-])CCOc1ccc(Br)cc1 ZINC000005046549 182449503 /nfs/dbraw/zinc/44/95/03/182449503.db2.gz IGFOICGMVYKSCD-UHFFFAOYSA-N -1 0 245.072 2.303 50 0 BEAARM O=C([O-])CCc1ccc(C(F)(F)F)nc1 ZINC000001529159 182454056 /nfs/dbraw/zinc/45/40/56/182454056.db2.gz BMMLLDYJLFQFJS-UHFFFAOYSA-N -1 0 219.162 2.118 50 0 BEAARM O=C([O-])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000004265149 182490130 /nfs/dbraw/zinc/49/01/30/182490130.db2.gz MGQPQAYFSXCYPW-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM O=C([O-])[C@@H]1CCc2c([nH]c3ccccc32)C1 ZINC000039202929 182515362 /nfs/dbraw/zinc/51/53/62/182515362.db2.gz VSIDDKKWZMIYEV-MRVPVSSYSA-N -1 0 215.252 2.357 50 0 BEAARM O=C([O-])[C@H]1CCCO[C@H]1c1ccccc1 ZINC000036379620 182537526 /nfs/dbraw/zinc/53/75/26/182537526.db2.gz PLTXACXZZGZCLU-QWRGUYRKSA-N -1 0 206.241 2.239 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2Cl)ncn1 ZINC000082334090 182551423 /nfs/dbraw/zinc/55/14/23/182551423.db2.gz SLRACBRCGJYCHF-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])c1cc(Cl)nc(Br)c1 ZINC000095761190 182554573 /nfs/dbraw/zinc/55/45/73/182554573.db2.gz IBBONDAWVSODCZ-UHFFFAOYSA-N -1 0 236.452 2.196 50 0 BEAARM O=C([O-])c1cc(Cl)cnc1C(F)(F)F ZINC000066319064 182555007 /nfs/dbraw/zinc/55/50/07/182555007.db2.gz SWAUZBSMIIDEMA-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1cc(Cl)c(Br)[nH]1 ZINC000032628087 182555224 /nfs/dbraw/zinc/55/52/24/182555224.db2.gz NMXKEDBJXDSNMD-UHFFFAOYSA-N -1 0 224.441 2.129 50 0 BEAARM O=C([O-])c1ccc(C(=O)Cc2ccccn2)cc1 ZINC000019093779 182564609 /nfs/dbraw/zinc/56/46/09/182564609.db2.gz LZHHYRMNFIDAMK-UHFFFAOYSA-N -1 0 241.246 2.205 50 0 BEAARM O=C([O-])c1ccc(N2CCCC2)c(F)c1 ZINC000020079726 182568161 /nfs/dbraw/zinc/56/81/61/182568161.db2.gz HXPJLYBFMBIXKY-UHFFFAOYSA-N -1 0 209.220 2.124 50 0 BEAARM O=C([O-])c1cc2cc(Br)ncc2[nH]1 ZINC000040571769 182560589 /nfs/dbraw/zinc/56/05/89/182560589.db2.gz NNWNNQTUZYVQRK-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccc(-c2cccc3ccnn32)o1 ZINC000072167871 182561970 /nfs/dbraw/zinc/56/19/70/182561970.db2.gz BJGJYDMZHJXFHI-UHFFFAOYSA-N -1 0 228.207 2.293 50 0 BEAARM O=C([O-])c1ccc(-c2cnn3cccnc23)s1 ZINC000067983044 182562567 /nfs/dbraw/zinc/56/25/67/182562567.db2.gz FPDKJIXNLQLJQB-UHFFFAOYSA-N -1 0 245.263 2.156 50 0 BEAARM O=C([O-])c1ccoc1COCC(F)(F)F ZINC000004727349 182586426 /nfs/dbraw/zinc/58/64/26/182586426.db2.gz INCOTXAVDBZMKA-UHFFFAOYSA-N -1 0 224.134 2.057 50 0 BEAARM O=C([O-])c1nn(-c2ccccc2)c2c1CCCC2 ZINC000006658350 182596619 /nfs/dbraw/zinc/59/66/19/182596619.db2.gz RTQVNHMXVLFXIX-UHFFFAOYSA-N -1 0 242.278 2.449 50 0 BEAARM O=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000002565559 182865028 /nfs/dbraw/zinc/86/50/28/182865028.db2.gz IOKDFDKKAQANIA-UHFFFAOYSA-N -1 0 216.192 2.457 50 0 BEAARM O=Cc1cccn1Cc1ccc(C(=O)[O-])cc1 ZINC000020447598 182873800 /nfs/dbraw/zinc/87/38/00/182873800.db2.gz GQFFZQUJRBAKOK-UHFFFAOYSA-N -1 0 229.235 2.047 50 0 BEAARM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002384826 169010099 /nfs/dbraw/zinc/01/00/99/169010099.db2.gz ZIOCIQJXEKFHJO-QMMMGPOBSA-N -1 0 231.292 2.155 50 0 BEAARM CCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000019836936 169251638 /nfs/dbraw/zinc/25/16/38/169251638.db2.gz XEVBULAAMQUYPW-UHFFFAOYSA-N -1 0 213.664 2.185 50 0 BEAARM CCCOc1cc(C(=O)[O-])ccc1OC ZINC000002570487 169313787 /nfs/dbraw/zinc/31/37/87/169313787.db2.gz PGFBXGVRMFTYGX-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CCCOc1ccc(C(=O)[O-])c(OC)c1 ZINC000034086589 169317166 /nfs/dbraw/zinc/31/71/66/169317166.db2.gz BYPSTFUCGUMFDO-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CCCOc1ccc2c(c1)OC[C@H](C(=O)[O-])C2 ZINC000020281621 169323341 /nfs/dbraw/zinc/32/33/41/169323341.db2.gz HTQUFYWZAANEMW-SNVBAGLBSA-N -1 0 236.267 2.111 50 0 BEAARM CCCOc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000008579250 169323502 /nfs/dbraw/zinc/32/35/02/169323502.db2.gz QHIMSSNWTXCKGC-UHFFFAOYSA-N -1 0 247.250 2.015 50 0 BEAARM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000032628145 169549198 /nfs/dbraw/zinc/54/91/98/169549198.db2.gz BIYXUNJTZYRILK-NSHDSACASA-N -1 0 231.292 2.155 50 0 biogenic BEAARM O=C([O-])CCC(=O)c1ccc(Cl)cc1 ZINC000000056552 383822177 /nfs/dbraw/zinc/82/21/77/383822177.db2.gz AHVASTJJVAYFPY-UHFFFAOYSA-N -1 0 212.632 2.388 50 0 in-vitro BEAARM COCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000000093760 383826899 /nfs/dbraw/zinc/82/68/99/383826899.db2.gz KHLHZGTZWJOFOC-UHFFFAOYSA-N -1 0 240.642 2.298 50 0 BEAARM O=C([O-])Cc1cccc(Br)c1 ZINC000000156261 383836317 /nfs/dbraw/zinc/83/63/17/383836317.db2.gz KYNNBXCGXUOREX-UHFFFAOYSA-N -1 0 215.046 2.076 50 0 BEAARM Cc1nc(-c2cccnc2)sc1C(=O)[O-] ZINC000000167841 383839436 /nfs/dbraw/zinc/83/94/36/383839436.db2.gz CJLQNROYBZEUGH-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 in-vitro BEAARM CC1(C)S[C@H](c2ccccc2)N[C@@H]1C(=O)[O-] ZINC000000174321 383839618 /nfs/dbraw/zinc/83/96/18/383839618.db2.gz LZDQTBBSEWXLTA-NXEZZACHSA-N -1 0 237.324 2.253 50 0 BEAARM O=C([O-])c1c2c(nc3ccccc31)CCC2 ZINC000000190847 383842829 /nfs/dbraw/zinc/84/28/29/383842829.db2.gz YHLOYZLGFGTCEB-UHFFFAOYSA-N -1 0 213.236 2.422 50 0 BEAARM O=Cc1cccc2cccc(C(=O)[O-])c12 ZINC000000223055 383846097 /nfs/dbraw/zinc/84/60/97/383846097.db2.gz HLHDIWAOQIRETC-UHFFFAOYSA-N -1 0 200.193 2.351 50 0 in-vitro BEAARM CO[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000087493455 383847562 /nfs/dbraw/zinc/84/75/62/383847562.db2.gz VXDPCJPQYLKGFL-QMMMGPOBSA-N -1 0 234.173 2.478 50 0 BEAARM C[C@H]1SC(=S)[N-]N1c1ccccc1 ZINC000000392792 383862255 /nfs/dbraw/zinc/86/22/55/383862255.db2.gz UCOSZMPNTRCHEN-SSDOTTSWSA-N -1 0 210.327 2.375 50 0 BEAARM O=C([O-])CCC(=O)c1cc(F)cc(F)c1 ZINC000000403343 383864717 /nfs/dbraw/zinc/86/47/17/383864717.db2.gz SSBFKGDYTIRSOC-UHFFFAOYSA-N -1 0 214.167 2.012 50 0 BEAARM O=C([O-])[C@](O)(c1ccccc1)C1CCCC1 ZINC000000548786 383875419 /nfs/dbraw/zinc/87/54/19/383875419.db2.gz WFLUEQCOAQCQLP-ZDUSSCGKSA-N -1 0 220.268 2.149 50 0 BEAARM O=C([O-])CSCCCc1ccccc1 ZINC000001711465 383929118 /nfs/dbraw/zinc/92/91/18/383929118.db2.gz BGBJUCFBIKHHMZ-UHFFFAOYSA-N -1 0 210.298 2.437 50 0 BEAARM O=C([O-])Cc1cccc(-c2cccnc2)c1 ZINC000002581091 383978010 /nfs/dbraw/zinc/97/80/10/383978010.db2.gz PYYYKVJJIGKHKH-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM O=C([O-])Cc1cccc(OC(F)(F)F)c1 ZINC000002572150 383978976 /nfs/dbraw/zinc/97/89/76/383978976.db2.gz NFZQVADYFXRRPM-UHFFFAOYSA-N -1 0 220.146 2.212 50 0 BEAARM O=C([O-])/C=C/c1nc2ccccc2s1 ZINC000002710367 383983413 /nfs/dbraw/zinc/98/34/13/383983413.db2.gz LLWKVCNWFMPGGM-AATRIKPKSA-N -1 0 205.238 2.394 50 0 BEAARM O=C([O-])C=C(C(F)(F)F)C(F)(F)F ZINC000002039263 383945847 /nfs/dbraw/zinc/94/58/47/383945847.db2.gz ZSBJCNVMTCMOBW-UHFFFAOYSA-N -1 0 208.057 2.122 50 0 BEAARM CC(C)(O)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000071777514 384000547 /nfs/dbraw/zinc/00/05/47/384000547.db2.gz UOXNQFGOANBSCK-SECBINFHSA-N -1 0 228.675 2.279 50 0 BEAARM O=C([O-])c1ccc(-c2cc[nH]n2)cc1Cl ZINC000067965982 383963470 /nfs/dbraw/zinc/96/34/70/383963470.db2.gz CXZLCMIJGOPBKC-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM O=C([O-])Cc1c[nH]c2ccc(Cl)cc12 ZINC000002504574 383966591 /nfs/dbraw/zinc/96/65/91/383966591.db2.gz ZEIRLSDFVXNFGG-UHFFFAOYSA-N -1 0 209.632 2.448 50 0 in-vitro BEAARM Cc1ccc(C)c(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535562 383971974 /nfs/dbraw/zinc/97/19/74/383971974.db2.gz XOQZWRSBZGRLLO-UHFFFAOYSA-N -1 0 246.266 2.235 50 0 BEAARM O=C([O-])CCc1cccc(Cl)c1F ZINC000002528437 383972081 /nfs/dbraw/zinc/97/20/81/383972081.db2.gz VYQNICAOBPTLMG-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM CC(C)CCNc1nc(C(=O)[O-])cs1 ZINC000003434729 384011441 /nfs/dbraw/zinc/01/14/41/384011441.db2.gz GOEMYPKFFVJIST-UHFFFAOYSA-N -1 0 214.290 2.299 50 0 BEAARM O=C([O-])CSc1ccc2c(c1)CCC2 ZINC000004205988 384044886 /nfs/dbraw/zinc/04/48/86/384044886.db2.gz RUVTVWNOODRTNI-UHFFFAOYSA-N -1 0 208.282 2.352 50 0 BEAARM O=C([O-])CSc1ccc(F)c(F)c1 ZINC000004218145 384047749 /nfs/dbraw/zinc/04/77/49/384047749.db2.gz CCXYYCKQHVEJES-UHFFFAOYSA-N -1 0 204.197 2.142 50 0 BEAARM O=Cc1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000004237614 384050725 /nfs/dbraw/zinc/05/07/25/384050725.db2.gz MPFWMNUHCKJVMT-UHFFFAOYSA-N -1 0 246.218 2.369 50 0 BEAARM O=C([O-])CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004015152 384034857 /nfs/dbraw/zinc/03/48/57/384034857.db2.gz GBMGBPADBDLEKL-UHFFFAOYSA-N -1 0 242.687 2.393 50 0 BEAARM O=C([O-])CCC(=O)CCC(=O)c1cccs1 ZINC000004112308 384041977 /nfs/dbraw/zinc/04/19/77/384041977.db2.gz YVUGOXHLJJWQFP-UHFFFAOYSA-N -1 0 240.280 2.145 50 0 BEAARM COc1ccc(Sc2nc(=N)s[n-]2)cc1 ZINC000069763857 384062283 /nfs/dbraw/zinc/06/22/83/384062283.db2.gz WNFFFONJICITAI-UHFFFAOYSA-N -1 0 239.325 2.110 50 0 BEAARM O=C([O-])CCCOc1ccc(F)cc1F ZINC000004988645 384094548 /nfs/dbraw/zinc/09/45/48/384094548.db2.gz AHUNOOHLCXZVML-UHFFFAOYSA-N -1 0 216.183 2.208 50 0 BEAARM CCc1ccc(O[C@@H](CC)C(=O)[O-])cc1 ZINC000006124246 384146078 /nfs/dbraw/zinc/14/60/78/384146078.db2.gz PUJPCPDJWKSSPA-NSHDSACASA-N -1 0 208.257 2.491 50 0 BEAARM O=C([O-])CCC(=O)Nc1cccc2c1CCCC2 ZINC000006668473 384163163 /nfs/dbraw/zinc/16/31/63/384163163.db2.gz FAXQLWKQWVJTAO-UHFFFAOYSA-N -1 0 247.294 2.369 50 0 BEAARM O=C([O-])CCc1cccc(OC(F)F)c1 ZINC000071867264 384183090 /nfs/dbraw/zinc/18/30/90/384183090.db2.gz GWTSEGFRVOHJSG-UHFFFAOYSA-N -1 0 216.183 2.305 50 0 BEAARM Cc1ccc([C@@](O)(C(=O)[O-])c2ccccc2)cc1 ZINC000008462100 384201143 /nfs/dbraw/zinc/20/11/43/384201143.db2.gz CINSFZZGMRTJKZ-OAHLLOKOSA-N -1 0 242.274 2.316 50 0 BEAARM O=C([O-])C1(c2cccc(Cl)c2)CCOCC1 ZINC000009280611 384239039 /nfs/dbraw/zinc/23/90/39/384239039.db2.gz IFGNECIEJYKTRC-UHFFFAOYSA-N -1 0 240.686 2.473 50 0 BEAARM O=C([O-])C1(c2ccc(Cl)cc2)CCOCC1 ZINC000009280606 384239550 /nfs/dbraw/zinc/23/95/50/384239550.db2.gz YZVUFQFNZWNCPZ-UHFFFAOYSA-N -1 0 240.686 2.473 50 0 BEAARM O=C([O-])COCC12CC3CC(CC(C3)C1)C2 ZINC000012362958 384313316 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2.137 50 0 BEAARM O=C([O-])c1ccc(NC(=O)C2CC=CC2)cc1 ZINC000085159579 384769337 /nfs/dbraw/zinc/76/93/37/384769337.db2.gz UBJPWCMTAWWJLH-UHFFFAOYSA-N -1 0 231.251 2.290 50 0 BEAARM O=c1oc2cc(Cl)c([O-])cc2s1 ZINC000000261771 384824302 /nfs/dbraw/zinc/82/43/02/384824302.db2.gz FEBBRBNJALULIG-UHFFFAOYSA-N -1 0 202.618 2.214 50 0 BEAARM CC(=O)c1c[nH]c2cc(C(=O)[O-])ccc12 ZINC000026423469 384873026 /nfs/dbraw/zinc/87/30/26/384873026.db2.gz PSFFTDLDFVWLPL-UHFFFAOYSA-N -1 0 203.197 2.069 50 0 BEAARM O=C([O-])[C@H]1CCN(c2ccccc2Cl)C1 ZINC000084499327 384877288 /nfs/dbraw/zinc/87/72/88/384877288.db2.gz FPGYADRKFPWWLU-QMMMGPOBSA-N -1 0 225.675 2.251 50 0 BEAARM Cc1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000057218468 384932316 /nfs/dbraw/zinc/93/23/16/384932316.db2.gz RIRGICPHIMIPQF-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM O=C([O-])C1(c2ccc(C(F)(F)F)cc2)COC1 ZINC000247422407 384937321 /nfs/dbraw/zinc/93/73/21/384937321.db2.gz RQWKPKOLSUHEGJ-UHFFFAOYSA-N -1 0 246.184 2.058 50 0 BEAARM O=C([O-])[C@@H]1CC=C(Br)CC1 ZINC000085483174 384948745 /nfs/dbraw/zinc/94/87/45/384948745.db2.gz UQFQSTPXVCBGOQ-RXMQYKEDSA-N -1 0 205.051 2.150 50 0 BEAARM O=C([O-])c1c(F)cccc1OC1CCC1 ZINC000086477907 385019613 /nfs/dbraw/zinc/01/96/13/385019613.db2.gz WVWYFXKYIHOUGP-UHFFFAOYSA-N -1 0 210.204 2.455 50 0 BEAARM COC(=O)c1ccc2c(c1)[C@H](CC(=O)[O-])CCC2 ZINC000407985654 385109757 /nfs/dbraw/zinc/10/97/57/385109757.db2.gz FDQUTDCTRXZYFY-JTQLQIEISA-N -1 0 248.278 2.368 50 0 BEAARM CCCC[C@H](CC)C(=O)NC1=NCCS1 ZINC000005467338 385117358 /nfs/dbraw/zinc/11/73/58/385117358.db2.gz BOJOIVUYTYKROJ-VIFPVBQESA-N -1 0 228.361 2.422 50 0 BEAARM CCc1cccc2cc(C(=O)[O-])cnc21 ZINC000032099668 385132691 /nfs/dbraw/zinc/13/26/91/385132691.db2.gz RIMBRLWKVBSXGY-UHFFFAOYSA-N -1 0 201.225 2.495 50 0 BEAARM Cc1csc(=S)n1[C@H](C)C(=O)[O-] ZINC000032235664 385137193 /nfs/dbraw/zinc/13/71/93/385137193.db2.gz ZCHQLCDAVFQHAZ-RXMQYKEDSA-N -1 0 203.288 2.233 50 0 BEAARM O=C([O-])CCc1csc2nc(C3CC3)cn12 ZINC000061968124 385149227 /nfs/dbraw/zinc/14/92/27/385149227.db2.gz FCCDIAWXVKMIMN-UHFFFAOYSA-N -1 0 236.296 2.290 50 0 BEAARM O=C([O-])[C@H](O)c1cccc(Cl)c1Cl ZINC000040733905 385474774 /nfs/dbraw/zinc/47/47/74/385474774.db2.gz BBKBVCLSUNDJCP-SSDOTTSWSA-N -1 0 221.039 2.111 50 0 BEAARM CC(C)(C)c1ccc([O-])c(S(C)(=O)=O)c1 ZINC000039274185 385536541 /nfs/dbraw/zinc/53/65/41/385536541.db2.gz MYCYMXAOGFIAHO-UHFFFAOYSA-N -1 0 228.313 2.093 50 0 BEAARM C/C=C/Cc1ccccc1OCC(=O)[O-] ZINC000001689813 385650789 /nfs/dbraw/zinc/65/07/89/385650789.db2.gz JDCFRBIRNNBTQT-NSCUHMNNSA-N -1 0 206.241 2.269 50 0 BEAARM C[C@@H](C(=O)[O-])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000052259165 385710940 /nfs/dbraw/zinc/71/09/40/385710940.db2.gz XYSHVMJDFZAJEL-MUWHJKNJSA-N -1 0 246.209 2.042 50 0 BEAARM O=C([O-])c1ccc(/C=C\c2ccncn2)cc1 ZINC000221696161 386014350 /nfs/dbraw/zinc/01/43/50/386014350.db2.gz NVMQYXYZLRBXIB-UTCJRWHESA-N -1 0 226.235 2.345 50 0 BEAARM O=c1cc([O-])c2c(C3CC3)csc2[nH]1 ZINC000057315555 386042128 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/nfs/dbraw/zinc/27/55/43/387275543.db2.gz ULYLFVXIUJLLQN-MADCSZMMSA-N -1 0 208.257 2.167 50 0 BEAARM O=C([O-])c1ccc(C2CCOCC2)cc1 ZINC000095635203 387290279 /nfs/dbraw/zinc/29/02/79/387290279.db2.gz UOTCSFXNJIBLLZ-UHFFFAOYSA-N -1 0 206.241 2.279 50 0 BEAARM Cc1ccsc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000069837757 387715353 /nfs/dbraw/zinc/71/53/53/387715353.db2.gz BXPRZDGAKQDKDN-QMMMGPOBSA-N -1 0 241.312 2.040 50 0 BEAARM Cc1cc(C)c(N2C[C@@H](C(=O)[O-])CC2=O)c(C)c1 ZINC000000317146 177864576 /nfs/dbraw/zinc/86/45/76/177864576.db2.gz AXLGQTRQNJDIMJ-NSHDSACASA-N -1 0 247.294 2.049 50 0 BEAARM O=C([O-])Cc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000011567756 388393097 /nfs/dbraw/zinc/39/30/97/388393097.db2.gz KWMYRSNKUFCPMV-UHFFFAOYSA-N -1 0 244.172 2.209 50 0 BEAARM O=C([O-])c1ccc(-c2nc(CO)cs2)s1 ZINC000067804314 388407317 /nfs/dbraw/zinc/40/73/17/388407317.db2.gz SBKMDRNBWIUVEA-UHFFFAOYSA-N -1 0 241.293 2.062 50 0 BEAARM Cc1cc(C(=O)CCC(=O)[O-])ccc1F ZINC000004998671 177731980 /nfs/dbraw/zinc/73/19/80/177731980.db2.gz RDWYSVCUOZOEBC-UHFFFAOYSA-N -1 0 210.204 2.182 50 0 BEAARM COC(=O)C=C([O-])c1ccc(SC)cc1 ZINC000079064373 388691847 /nfs/dbraw/zinc/69/18/47/388691847.db2.gz MBPFHIAVNMXOJV-UHFFFAOYSA-N -1 0 224.281 2.154 50 0 BEAARM Cc1ccc2c(c1)OCCN2CCCC(=O)[O-] ZINC000131446822 132236540 /nfs/dbraw/zinc/23/65/40/132236540.db2.gz IGXDUDIFJFDICJ-UHFFFAOYSA-N -1 0 235.283 2.059 50 0 BEAARM Cc1c(Cl)ccc2c1N(CC(=O)[O-])CCC2 ZINC000084788736 132267266 /nfs/dbraw/zinc/26/72/66/132267266.db2.gz NUKWTQYEIKMSQL-UHFFFAOYSA-N -1 0 239.702 2.486 50 0 BEAARM C[C@@H]1CCCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000006677885 132318241 /nfs/dbraw/zinc/31/82/41/132318241.db2.gz OPDQXUZZPJEEHW-SECBINFHSA-N -1 0 220.272 2.016 50 0 BEAARM CC(C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000013390289 132321585 /nfs/dbraw/zinc/32/15/85/132321585.db2.gz LXMVPWNCTHIOKJ-UHFFFAOYSA-N -1 0 247.294 2.320 50 0 BEAARM O=C([O-])c1coc(C(=O)Nc2cccc(F)c2)c1 ZINC000183326777 134350789 /nfs/dbraw/zinc/35/07/89/134350789.db2.gz QOSJTJLRDJFKKX-UHFFFAOYSA-N -1 0 249.197 2.369 50 0 BEAARM CCc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1F ZINC000263553877 135360291 /nfs/dbraw/zinc/36/02/91/135360291.db2.gz MXHRWARXTHGJSP-SSDOTTSWSA-N -1 0 239.246 2.047 50 0 BEAARM CC(C)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000000611186 167093019 /nfs/dbraw/zinc/09/30/19/167093019.db2.gz SPBMUMARFXIFTR-UHFFFAOYSA-N -1 0 238.312 2.080 50 0 BEAARM CC(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000039020748 322905101 /nfs/dbraw/zinc/90/51/01/322905101.db2.gz WWKOREWJYZNXDX-SECBINFHSA-N -1 0 245.319 2.258 50 0 BEAARM CC(=O)c1cccc(OCCCC(=O)[O-])c1 ZINC000019391518 166478978 /nfs/dbraw/zinc/47/89/78/166478978.db2.gz XGZBCEWPYFSMNG-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM CC(C)(C)[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000005383696 166692324 /nfs/dbraw/zinc/69/23/24/166692324.db2.gz MXATWGSJZOCHSJ-LLVKDONJSA-N -1 0 247.294 2.142 50 0 BEAARM CC(C)CCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716533 166793473 /nfs/dbraw/zinc/79/34/73/166793473.db2.gz JTOMWLOLXMTHLO-UHFFFAOYSA-N -1 0 249.310 2.437 50 0 BEAARM CC(C)Sc1ncc(Cl)c(C(=O)[O-])n1 ZINC000008915966 167338023 /nfs/dbraw/zinc/33/80/23/167338023.db2.gz UHVLDZOHDMDYAX-UHFFFAOYSA-N -1 0 232.692 2.329 50 0 BEAARM CC1=CC[C@@H]([C@]2(C)CC(C(=O)[O-])=NO2)CC1 ZINC000039402905 168118885 /nfs/dbraw/zinc/11/88/85/168118885.db2.gz BVSRPFFUJYAQCM-SKDRFNHKSA-N -1 0 223.272 2.352 50 0 BEAARM CCC(=O)N(CC)c1c(F)cccc1C(=O)[O-] ZINC000044965658 168212150 /nfs/dbraw/zinc/21/21/50/168212150.db2.gz KNOUQECSGFHXSJ-UHFFFAOYSA-N -1 0 239.246 2.287 50 0 BEAARM CCC(=O)c1c([O-])c2ccccc2oc1=O ZINC000005781267 168254148 /nfs/dbraw/zinc/25/41/48/168254148.db2.gz WUNZBRZFQNWGDW-UHFFFAOYSA-N -1 0 218.208 2.091 50 0 biogenic BEAARM CCOC(=O)C=C([O-])c1cccc(F)c1F ZINC000075903659 170197147 /nfs/dbraw/zinc/19/71/47/170197147.db2.gz RPAWJNHLGNOQMI-UHFFFAOYSA-N -1 0 228.194 2.101 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(F)c(C)c1 ZINC000043501785 170197338 /nfs/dbraw/zinc/19/73/38/170197338.db2.gz LSARTPXNGZTAKE-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM CCOC(=O)C=C([O-])c1ccccc1C ZINC000002575915 170197452 /nfs/dbraw/zinc/19/74/52/170197452.db2.gz UNULPFKXRJPSCO-UHFFFAOYSA-N -1 0 206.241 2.131 50 0 BEAARM CCOC(=O)C=C([O-])c1c(F)cccc1F ZINC000020475432 170197553 /nfs/dbraw/zinc/19/75/53/170197553.db2.gz GLRNJDWFZNOBHC-UHFFFAOYSA-N -1 0 228.194 2.101 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(F)cc1F ZINC000002575926 170197670 /nfs/dbraw/zinc/19/76/70/170197670.db2.gz UFAHWLKYHPRYSY-UHFFFAOYSA-N -1 0 228.194 2.101 50 0 BEAARM CCOC(=O)c1cc(=O)c2cc(C)ccc2[n-]1 ZINC000032919184 170290916 /nfs/dbraw/zinc/29/09/16/170290916.db2.gz OVYHKZPPEZVZOC-UHFFFAOYSA-N -1 0 231.251 2.013 50 0 BEAARM CCOC(=O)c1cc(F)ccc1[S-] ZINC000002539088 170292580 /nfs/dbraw/zinc/29/25/80/170292580.db2.gz PQRHDMMRVLIDMT-UHFFFAOYSA-N -1 0 200.234 2.291 50 0 BEAARM CC[C@@H](C)[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002560686 170786486 /nfs/dbraw/zinc/78/64/86/170786486.db2.gz HTBIAUMDQYXOFG-RKDXNWHRSA-N -1 0 245.319 2.353 50 0 BEAARM CC[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1 ZINC000002129494 170815776 /nfs/dbraw/zinc/81/57/76/170815776.db2.gz NEXUYXKGGLOADG-NSHDSACASA-N -1 0 235.283 2.060 50 0 BEAARM CC[C@@H](Oc1ccc(F)cc1F)C(=O)[O-] ZINC000002526139 170946895 /nfs/dbraw/zinc/94/68/95/170946895.db2.gz SOLUJUUORFCATB-MRVPVSSYSA-N -1 0 216.183 2.207 50 0 BEAARM CC[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013746321 171331642 /nfs/dbraw/zinc/33/16/42/171331642.db2.gz RJOKGTZEYKBEAD-QMMMGPOBSA-N -1 0 236.271 2.305 50 0 BEAARM CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000005155443 171358300 /nfs/dbraw/zinc/35/83/00/171358300.db2.gz SDNDNHOVHJTJPB-CABZTGNLSA-N -1 0 247.294 2.142 50 0 BEAARM CNc1nc(C)cc(-c2ccc(C(=O)[O-])s2)n1 ZINC000534667450 412312964 /nfs/dbraw/zinc/31/29/64/412312964.db2.gz SWQQCTCOLNFLFH-UHFFFAOYSA-N -1 0 249.295 2.253 50 0 BEAARM CC[C@](O)(C(=O)[O-])c1cccc(Cl)c1 ZINC000040733721 171709022 /nfs/dbraw/zinc/70/90/22/171709022.db2.gz UBAZPZJVHDVJLY-SNVBAGLBSA-N -1 0 214.648 2.022 50 0 BEAARM CCc1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000000375323 171860431 /nfs/dbraw/zinc/86/04/31/171860431.db2.gz XMRDKKAZAWHENN-UHFFFAOYSA-N -1 0 235.283 2.442 50 0 BEAARM COC(=O)C=C([O-])c1ccccc1C(F)(F)F ZINC000000153852 173521899 /nfs/dbraw/zinc/52/18/99/173521899.db2.gz CPAGQMQGVDEFOB-UHFFFAOYSA-N -1 0 246.184 2.451 50 0 BEAARM COCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000005669833 174368497 /nfs/dbraw/zinc/36/84/97/174368497.db2.gz WQDOHODYKAZYCW-UHFFFAOYSA-N -1 0 230.647 2.063 50 0 BEAARM CO[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000087493456 174674983 /nfs/dbraw/zinc/67/49/83/174674983.db2.gz VXDPCJPQYLKGFL-MRVPVSSYSA-N -1 0 234.173 2.478 50 0 BEAARM COc1cc(OC(F)(F)F)ccc1C(=O)[O-] ZINC000002527889 175006247 /nfs/dbraw/zinc/00/62/47/175006247.db2.gz GZSXIWDPTFEOFF-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1ccc(-c2c[nH]c(C(=O)[O-])c2)cc1OC ZINC000038478323 175029973 /nfs/dbraw/zinc/02/99/73/175029973.db2.gz LKKNDNXMQVCFNF-UHFFFAOYSA-N -1 0 247.250 2.397 50 0 BEAARM COc1ccc(-c2ccncc2)c(C(=O)[O-])c1 ZINC000040231651 175035931 /nfs/dbraw/zinc/03/59/31/175035931.db2.gz LBZSFLJWOSUXIN-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000008492826 175036975 /nfs/dbraw/zinc/03/69/75/175036975.db2.gz LNDZESDZHPDHJN-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(/C=C(/C)C(=O)[O-])cc1F ZINC000084193440 175046810 /nfs/dbraw/zinc/04/68/10/175046810.db2.gz QBUJMDMWUVYMCY-ALCCZGGFSA-N -1 0 210.204 2.322 50 0 BEAARM COc1ccc(C(=O)[O-])cc1-c1ccccn1 ZINC000031997375 175064444 /nfs/dbraw/zinc/06/44/44/175064444.db2.gz FWJIAMUVXKCWND-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(C)cc1-c1cnc(C(=O)[O-])cn1 ZINC000215089622 175072093 /nfs/dbraw/zinc/07/20/93/175072093.db2.gz WYUBZPDCEZNQOQ-UHFFFAOYSA-N -1 0 244.250 2.159 50 0 BEAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])no2)c1 ZINC000011801970 175162846 /nfs/dbraw/zinc/16/28/46/175162846.db2.gz SHKJDWPURNWNTI-UHFFFAOYSA-N -1 0 249.222 2.057 50 0 BEAARM COc1ccc2c(C)c(C(=O)[O-])[nH]c2c1 ZINC000071625221 175203796 /nfs/dbraw/zinc/20/37/96/175203796.db2.gz GAXRKJWZFDHHJC-UHFFFAOYSA-N -1 0 205.213 2.183 50 0 BEAARM COc1ccc2c(c1)c(C)c(C(=O)[O-])n2C ZINC000004231703 175217643 /nfs/dbraw/zinc/21/76/43/175217643.db2.gz YIJZWIPPIODAAK-UHFFFAOYSA-N -1 0 219.240 2.194 50 0 BEAARM COc1cccc(C(=O)[O-])c1Br ZINC000006019093 175246210 /nfs/dbraw/zinc/24/62/10/175246210.db2.gz AOGGEUOQUYCZAH-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM COc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000002574429 175246845 /nfs/dbraw/zinc/24/68/45/175246845.db2.gz BBGASWPBIIQSLG-VXGBXAGGSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc(C(F)(F)F)c1CC(=O)[O-] ZINC000038529861 175247548 /nfs/dbraw/zinc/24/75/48/175247548.db2.gz ZHLWLKKEYBOIHC-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM COc1ccccc1-c1cc(C(=O)[O-])no1 ZINC000004992770 175308014 /nfs/dbraw/zinc/30/80/14/175308014.db2.gz UDFIWFVAYAOMRF-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccccc1C([O-])=CC(=O)C(F)F ZINC000100497215 175316376 /nfs/dbraw/zinc/31/63/76/175316376.db2.gz KUNNJPSFUORRCC-UHFFFAOYSA-N -1 0 228.194 2.102 50 0 BEAARM COc1ccccc1[C@@]1(C)C[C@H]1C(=O)[O-] ZINC000049813404 175349622 /nfs/dbraw/zinc/34/96/22/175349622.db2.gz PDMBEGHTKKCRMG-JOYOIKCWSA-N -1 0 206.241 2.057 50 0 BEAARM C[C@@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC000004200293 176004112 /nfs/dbraw/zinc/00/41/12/176004112.db2.gz IWXNSVLXICBLHY-ZCFIWIBFSA-N -1 0 245.072 2.301 50 0 BEAARM C[C@@H](Oc1cccc2cccnc21)C(=O)[O-] ZINC000000267254 176005968 /nfs/dbraw/zinc/00/59/68/176005968.db2.gz KJQWSJOVJCOZBD-MRVPVSSYSA-N -1 0 217.224 2.087 50 0 BEAARM C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)[O-])[C@@H]1C ZINC000004679852 176141521 /nfs/dbraw/zinc/14/15/21/176141521.db2.gz NIRDHFACMWVWAA-MXWKQRLJSA-N -1 0 241.331 2.182 50 0 BEAARM C[C@@]1(C(=O)[O-])OCc2ccccc2-n2cccc21 ZINC000000097924 176528288 /nfs/dbraw/zinc/52/82/88/176528288.db2.gz JWGZFUYHMUSJDY-CQSZACIVSA-N -1 0 243.262 2.307 50 0 BEAARM C[C@H](CNc1ccc(Cl)cc1)C(=O)[O-] ZINC000035758006 176686659 /nfs/dbraw/zinc/68/66/59/176686659.db2.gz MBIZQDHHJQIKTO-SSDOTTSWSA-N -1 0 213.664 2.473 50 0 BEAARM C[C@H]1C(=O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000000328221 177056795 /nfs/dbraw/zinc/05/67/95/177056795.db2.gz ZUJNZQBIDOPAKD-TVQRCGJNSA-N -1 0 218.252 2.008 50 0 BEAARM C[C@H]1CCN(c2ccc(C(=O)[O-])cc2)C1 ZINC000040718589 177171225 /nfs/dbraw/zinc/17/12/25/177171225.db2.gz TWILPNYGUYVPFD-VIFPVBQESA-N -1 0 205.257 2.231 50 0 BEAARM C[C@H]1CN(CCC(=O)[O-])c2ccccc21 ZINC000084771506 177246086 /nfs/dbraw/zinc/24/60/86/177246086.db2.gz OVEZBLUOUQSWTI-VIFPVBQESA-N -1 0 205.257 2.085 50 0 BEAARM Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)[O-] ZINC000002732012 177596848 /nfs/dbraw/zinc/59/68/48/177596848.db2.gz SMNCRCZGFVBMJT-BYPYZUCNSA-N -1 0 238.621 2.428 50 0 BEAARM Cc1ccc(Br)cc1C(=O)[O-] ZINC000001596249 322810503 /nfs/dbraw/zinc/81/05/03/322810503.db2.gz SEENCYZQHCUTSB-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM Cc1cccc(-c2cn(C)nc2C(=O)[O-])c1C ZINC000534642161 323156586 /nfs/dbraw/zinc/15/65/86/323156586.db2.gz DXBOEINHBUQHIH-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM CCC(=O)c1cc(Cl)ccc1OCC(=O)[O-] ZINC000568269969 326338083 /nfs/dbraw/zinc/33/80/83/326338083.db2.gz HCOQIHUGPSDBCO-UHFFFAOYSA-N -1 0 242.658 2.396 50 0 BEAARM CCc1ccccc1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000161713262 487512517 /nfs/dbraw/zinc/51/25/17/487512517.db2.gz GEVSZHSHGPGDSK-GFCCVEGCSA-N -1 0 249.310 2.184 50 0 BEAARM O=C([O-])c1nc2ccccc2nc1C(F)(F)F ZINC000072137442 491122329 /nfs/dbraw/zinc/12/23/29/491122329.db2.gz CALWBEPGJZCNIE-UHFFFAOYSA-N -1 0 242.156 2.347 50 0 BEAARM CC(C)c1nc(CNC(C)(C)C(=O)[O-])cs1 ZINC000083644253 491162368 /nfs/dbraw/zinc/16/23/68/491162368.db2.gz ACSHJTZIVHEQMY-UHFFFAOYSA-N -1 0 242.344 2.219 50 0 BEAARM C/C=C\COc1cccc(CC(=O)[O-])c1 ZINC000088394297 518556142 /nfs/dbraw/zinc/55/61/42/518556142.db2.gz KYHVQQAMMOHETB-IHWYPQMZSA-N -1 0 206.241 2.269 50 0 BEAARM CC[C@H](C)c1nc(C)c(CC(=O)[O-])c(C)n1 ZINC000082562707 522048393 /nfs/dbraw/zinc/04/83/93/522048393.db2.gz FWMMINMEUAPWNJ-ZETCQYMHSA-N -1 0 222.288 2.234 50 0 BEAARM CC[C@@H](C)c1nc(C)c(CC(=O)[O-])c(C)n1 ZINC000082562706 522438052 /nfs/dbraw/zinc/43/80/52/522438052.db2.gz FWMMINMEUAPWNJ-SSDOTTSWSA-N -1 0 222.288 2.234 50 0 BEAARM CO[C@H](C(=O)[O-])c1ccccc1Br ZINC000147861119 523836378 /nfs/dbraw/zinc/83/63/78/523836378.db2.gz CDVMGVHQRHYPBI-QMMMGPOBSA-N -1 0 245.072 2.221 50 0 BEAARM O=C([O-])c1cccc(CN2CCC(F)(F)C2)c1 ZINC000259641473 598212809 /nfs/dbraw/zinc/21/28/09/598212809.db2.gz XCNINRZIXHOPPO-UHFFFAOYSA-N -1 0 241.237 2.226 50 0 BEAARM CC[C@@H](C)C(=O)c1nc(C(=O)[O-])cs1 ZINC000199477860 640845823 /nfs/dbraw/zinc/84/58/23/640845823.db2.gz PHYUMRLFJVCQBC-RXMQYKEDSA-N -1 0 213.258 2.070 50 0 BEAARM Cc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC000097957434 711515510 /nfs/dbraw/zinc/51/55/10/711515510.db2.gz LUGQQBPUAULKPK-UHFFFAOYSA-N -1 0 222.265 2.395 50 0 BEAARM O=C([O-])CCc1ccc(OCC2CC2)cc1 ZINC000141262163 1168308795 /nfs/dbraw/zinc/30/87/95/1168308795.db2.gz PIGOSVBIKWKLOF-UHFFFAOYSA-N -1 0 220.268 2.493 50 0 BEAARM O=C([O-])c1cc(F)cc(OC(F)F)c1 ZINC000047203368 978993439 /nfs/dbraw/zinc/99/34/39/978993439.db2.gz IAUOGCKRYWZGMC-UHFFFAOYSA-N -1 0 206.119 2.125 50 0 BEAARM CCC(CC)(CC(=O)[O-])NC(=O)C1CC=CC1 ZINC000262144176 168312523 /nfs/dbraw/zinc/31/25/23/168312523.db2.gz SLWCDBZBZRZJQY-UHFFFAOYSA-N -1 0 239.315 2.102 50 0 BEAARM Cc1cc(N(C)C)nc(-c2ccccc2[O-])n1 ZINC000003141245 178097337 /nfs/dbraw/zinc/09/73/37/178097337.db2.gz DFUCQSDFAFTWDA-UHFFFAOYSA-N -1 0 229.283 2.224 50 0 BEAARM Cc1ccc([S@@](=O)[O-])c(Br)c1 ZINC000162610652 538923543 /nfs/dbraw/zinc/92/35/43/538923543.db2.gz UIKXLQXOULLPLY-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM Cc1cc(N2CCCC2)ccc1C(=O)[O-] ZINC000050575956 178113142 /nfs/dbraw/zinc/11/31/42/178113142.db2.gz QURJBOJPCIBSDM-UHFFFAOYSA-N -1 0 205.257 2.293 50 0 BEAARM Cc1cc(O)cc(C)c1C[C@H](C)C(=O)[O-] ZINC000004202639 178199885 /nfs/dbraw/zinc/19/98/85/178199885.db2.gz LPPITBJXYYCDEQ-VIFPVBQESA-N -1 0 208.257 2.272 50 0 BEAARM Cc1cc(=O)n(-c2nc3ccccc3o2)[n-]1 ZINC000013611023 178200971 /nfs/dbraw/zinc/20/09/71/178200971.db2.gz BMRHMEKJRQQROO-UHFFFAOYSA-N -1 0 215.212 2.028 50 0 BEAARM Cc1cc2nc(Cc3ccccc3)cc(=O)n2[n-]1 ZINC000102673493 178301936 /nfs/dbraw/zinc/30/19/36/178301936.db2.gz JBSVFAZKMRDFRC-UHFFFAOYSA-N -1 0 239.278 2.334 50 0 BEAARM Cc1cc2nc(SCC(=O)[O-])[nH]c2cc1C ZINC000000368501 178303173 /nfs/dbraw/zinc/30/31/73/178303173.db2.gz CRJORIIWBSOFIP-UHFFFAOYSA-N -1 0 236.296 2.356 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])nn2C)c(C)c1 ZINC000015015276 178318484 /nfs/dbraw/zinc/31/84/84/178318484.db2.gz DQFUFACTDJJENI-UHFFFAOYSA-N -1 0 230.267 2.402 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)c(C)c1 ZINC000006849075 178319661 /nfs/dbraw/zinc/31/96/61/178319661.db2.gz XSEUPOAEAAAQGG-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM Cc1ccc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000090396283 178322743 /nfs/dbraw/zinc/32/27/43/178322743.db2.gz UWPHHPULQHSQBB-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM Cc1ccc(-c2nc(CCC(=O)[O-])no2)cc1 ZINC000019682325 178334565 /nfs/dbraw/zinc/33/45/65/178334565.db2.gz DIKOGABQHBPWPX-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM Cc1ccc(-c2noc(CCCC(=O)[O-])n2)cc1 ZINC000003363294 178344228 /nfs/dbraw/zinc/34/42/28/178344228.db2.gz PPUHLVJYPWCTSG-UHFFFAOYSA-N -1 0 246.266 2.452 50 0 BEAARM O=C([O-])c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000000113639 342675134 /nfs/dbraw/zinc/67/51/34/342675134.db2.gz NOUOFPSRFBTJCH-UHFFFAOYSA-N -1 0 247.275 2.443 50 0 BEAARM CC(C)(C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000000134487 342676361 /nfs/dbraw/zinc/67/63/61/342676361.db2.gz ICNMIDYXOGQVOC-UHFFFAOYSA-N -1 0 248.325 2.019 50 0 BEAARM O=c1c2ccccc2nc(-c2ccccc2)n1[O-] ZINC000000152707 342677465 /nfs/dbraw/zinc/67/74/65/342677465.db2.gz MIMZZMIFKADVDD-UHFFFAOYSA-N -1 0 238.246 2.301 50 0 biogenic BEAARM O=C([O-])c1ccc(C(F)(F)F)nc1Cl ZINC000000154424 342677644 /nfs/dbraw/zinc/67/76/44/342677644.db2.gz DXRBTBMFFGEVCX-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1cnc(NCc2ccccc2)s1 ZINC000000161798 342678353 /nfs/dbraw/zinc/67/83/53/342678353.db2.gz REVWBJBCAIBQGE-UHFFFAOYSA-N -1 0 234.280 2.453 50 0 BEAARM O=c1nc[n-]c2c1sc1cccc(F)c12 ZINC000000260771 342681574 /nfs/dbraw/zinc/68/15/74/342681574.db2.gz RFKXYCUEUBRFTA-UHFFFAOYSA-N -1 0 220.228 2.277 50 0 BEAARM O=C([O-])c1ccccc1NCc1ccncc1 ZINC000000258911 342681582 /nfs/dbraw/zinc/68/15/82/342681582.db2.gz UPPNJZSFIIFBPQ-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1 ZINC000000276480 342682069 /nfs/dbraw/zinc/68/20/69/342682069.db2.gz XKSLIJHVJSMXPT-RYUDHWBXSA-N -1 0 245.278 2.292 50 0 BEAARM O=C([O-])c1cccc(Cn2cc(Cl)cn2)c1 ZINC000000335377 342683814 /nfs/dbraw/zinc/68/38/14/342683814.db2.gz AOAWWPBKFRBPEP-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM CC(C(=O)N1CCCC1)=C([O-])c1ccccc1 ZINC000000387885 342685767 /nfs/dbraw/zinc/68/57/67/342685767.db2.gz VRZLRZRYLBZQCQ-NSHDSACASA-N -1 0 231.295 2.128 50 0 BEAARM Cc1cc(Br)cc(C(=O)[O-])c1 ZINC000000390867 342685775 /nfs/dbraw/zinc/68/57/75/342685775.db2.gz NWOMVQDBDBUANF-UHFFFAOYSA-N -1 0 215.046 2.456 50 0 BEAARM CCOc1ccc(C(=O)[O-])c(OCC)c1 ZINC000000403467 342686736 /nfs/dbraw/zinc/68/67/36/342686736.db2.gz UQAATGIOFSGRDA-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CC(C)(CC(=O)c1ccccc1)C(=O)[O-] ZINC000000405138 342686776 /nfs/dbraw/zinc/68/67/76/342686776.db2.gz IGOADEDHOFTRIG-UHFFFAOYSA-N -1 0 206.241 2.370 50 0 BEAARM Clc1ccc([N-]c2nnns2)cc1 ZINC000000529956 342689478 /nfs/dbraw/zinc/68/94/78/342689478.db2.gz YFYMEIRRZFZFGO-UHFFFAOYSA-N -1 0 212.665 2.330 50 0 BEAARM O=C([O-])c1ccc(COCC(F)(F)F)cc1 ZINC000000463120 342687972 /nfs/dbraw/zinc/68/79/72/342687972.db2.gz GSTMGMCOMQTWKP-UHFFFAOYSA-N -1 0 234.173 2.464 50 0 BEAARM O=C([O-])[C@@H]1CC(=O)CC[C@@H]1Cc1ccccc1 ZINC000000053535 342671746 /nfs/dbraw/zinc/67/17/46/342671746.db2.gz RPYASTUWLRHTAX-DGCLKSJQSA-N -1 0 232.279 2.299 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000001436071 342700888 /nfs/dbraw/zinc/70/08/88/342700888.db2.gz CKAXJDBTNNEENW-SECBINFHSA-N -1 0 243.303 2.251 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000001433073 342700925 /nfs/dbraw/zinc/70/09/25/342700925.db2.gz QJEQJDJFJWWURK-RKDXNWHRSA-N -1 0 243.303 2.155 50 0 BEAARM Cc1c(C(=O)[O-])cccc1N1CCCC1 ZINC000004245086 342745441 /nfs/dbraw/zinc/74/54/41/342745441.db2.gz PCZCTLHGYGEROO-UHFFFAOYSA-N -1 0 205.257 2.293 50 0 BEAARM Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000004342612 342746842 /nfs/dbraw/zinc/74/68/42/342746842.db2.gz GWQAKTJQXQZZNO-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM Cc1ccc2[nH]c(S[C@@H](C)C(=O)[O-])nc2c1 ZINC000004386201 342747402 /nfs/dbraw/zinc/74/74/02/342747402.db2.gz QKMVZTPHRLGLGU-ZETCQYMHSA-N -1 0 236.296 2.437 50 0 BEAARM O=C([O-])c1cc(OC(F)(F)F)ccc1F ZINC000002527810 342722664 /nfs/dbraw/zinc/72/26/64/342722664.db2.gz CSMVUVGPLMTFIZ-UHFFFAOYSA-N -1 0 224.109 2.423 50 0 BEAARM CCOc1cc(C(=O)[O-])ccc1OC(F)F ZINC000002534246 342723094 /nfs/dbraw/zinc/72/30/94/342723094.db2.gz FPNSIXUGULJPGQ-UHFFFAOYSA-N -1 0 232.182 2.385 50 0 BEAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002572715 342725004 /nfs/dbraw/zinc/72/50/04/342725004.db2.gz XRVAMBSTOWHUMM-VIFPVBQESA-N -1 0 245.319 2.401 50 0 BEAARM C[C@@H](C(=O)[O-])n1nc(C(F)(F)F)cc1C1CC1 ZINC000002732135 342726808 /nfs/dbraw/zinc/72/68/08/342726808.db2.gz RVVYGXLNVQSKSI-YFKPBYRVSA-N -1 0 248.204 2.425 50 0 BEAARM CCOc1ccc(CC(=O)[O-])cc1Cl ZINC000003750729 342737348 /nfs/dbraw/zinc/73/73/48/342737348.db2.gz NJJMHUPOCHBTJK-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM CC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000004819691 342752606 /nfs/dbraw/zinc/75/26/06/342752606.db2.gz WSCPPDYQNBGDPY-JTQLQIEISA-N -1 0 248.234 2.035 50 0 BEAARM O=C([O-])c1cnc2cc(Cl)ccc2c1O ZINC000005425421 342763997 /nfs/dbraw/zinc/76/39/97/342763997.db2.gz SACLIBNEKWTDEG-UHFFFAOYSA-N -1 0 223.615 2.292 50 0 BEAARM CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000005718989 342768700 /nfs/dbraw/zinc/76/87/00/342768700.db2.gz VQFVDOPXDRISGF-LBPRGKRZSA-N -1 0 220.268 2.417 50 0 BEAARM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008428163 342799253 /nfs/dbraw/zinc/79/92/53/342799253.db2.gz UKCJZGIJDOLOQJ-SNVBAGLBSA-N -1 0 248.282 2.015 50 0 BEAARM O=C([O-])c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000009189794 342809384 /nfs/dbraw/zinc/80/93/84/342809384.db2.gz QOICGDIFQWOONP-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM Nc1nc(C(=O)[O-])c(-c2ccccc2F)s1 ZINC000008763347 342804573 /nfs/dbraw/zinc/80/45/73/342804573.db2.gz HSHSZEZYDZWQFP-UHFFFAOYSA-N -1 0 238.243 2.230 50 0 BEAARM CC(C)[C@H](C(=O)[O-])n1cnc2ccccc21 ZINC000010382587 342835897 /nfs/dbraw/zinc/83/58/97/342835897.db2.gz WOKGHWATADTGIN-LLVKDONJSA-N -1 0 218.256 2.318 50 0 BEAARM O=C([O-])c1cccnc1N1CCc2ccccc21 ZINC000011633159 342842269 /nfs/dbraw/zinc/84/22/69/342842269.db2.gz YXBCHINHKPQKEO-UHFFFAOYSA-N -1 0 240.262 2.474 50 0 BEAARM Cc1sc2[n-]c(=S)[nH]c(=O)c2c1C ZINC000012341323 342849230 /nfs/dbraw/zinc/84/92/30/342849230.db2.gz WPZYPEIFPBHUDG-UHFFFAOYSA-N -1 0 212.299 2.264 50 0 BEAARM O=C([O-])c1ccc(Cn2cc(Cl)cn2)s1 ZINC000012357612 342849908 /nfs/dbraw/zinc/84/99/08/342849908.db2.gz VPMAATJOBGLUDT-UHFFFAOYSA-N -1 0 242.687 2.345 50 0 BEAARM CCCn1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000012394268 342850990 /nfs/dbraw/zinc/85/09/90/342850990.db2.gz AMFWYYBVTMGMSH-UHFFFAOYSA-N -1 0 245.282 2.417 50 0 BEAARM O=C([O-])c1cccc(NC(=O)C2CCC2)c1 ZINC000013094516 342863631 /nfs/dbraw/zinc/86/36/31/342863631.db2.gz NJLRSCHEZMZLPN-UHFFFAOYSA-N -1 0 219.240 2.123 50 0 BEAARM Cc1sc(-c2ccco2)nc1C(=O)[O-] ZINC000012810446 342858601 /nfs/dbraw/zinc/85/86/01/342858601.db2.gz YMBJXVRGYQUGHR-UHFFFAOYSA-N -1 0 209.226 2.410 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000014632730 342883171 /nfs/dbraw/zinc/88/31/71/342883171.db2.gz GJOMHEYOQWPVEZ-QMMMGPOBSA-N -1 0 245.319 2.401 50 0 BEAARM Nc1c(C(=O)[O-])cnc2ccc(Cl)cc12 ZINC000014988296 342890361 /nfs/dbraw/zinc/89/03/61/342890361.db2.gz HVLMLAPEHHRBBF-UHFFFAOYSA-N -1 0 222.631 2.169 50 0 BEAARM Cc1ccc2nc(C)cc(OCC(=O)[O-])c2c1 ZINC000019229402 342944264 /nfs/dbraw/zinc/94/42/64/342944264.db2.gz OEQRGGLRXZNHAJ-UHFFFAOYSA-N -1 0 231.251 2.315 50 0 BEAARM O=C([O-])c1cccn1CCc1ccccc1 ZINC000019802946 342958587 /nfs/dbraw/zinc/95/85/87/342958587.db2.gz ZXBHYCRVSIUNAJ-UHFFFAOYSA-N -1 0 215.252 2.429 50 0 BEAARM O=C([O-])c1cnc(Cc2ccccc2)s1 ZINC000019948427 342964329 /nfs/dbraw/zinc/96/43/29/342964329.db2.gz HJUSLPCNLXKZRT-UHFFFAOYSA-N -1 0 219.265 2.432 50 0 BEAARM Nc1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000020357790 342983534 /nfs/dbraw/zinc/98/35/34/342983534.db2.gz VTYHQGNZJJXPBE-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM O=C([O-])[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000020357885 342983662 /nfs/dbraw/zinc/98/36/62/342983662.db2.gz AOKQMHHJOMXSMH-MRVPVSSYSA-N -1 0 225.675 2.251 50 0 BEAARM Cc1cc(Br)ccc1NCC(=O)[O-] ZINC000020376387 342984424 /nfs/dbraw/zinc/98/44/24/342984424.db2.gz VLQCUVXTNBDRRF-UHFFFAOYSA-N -1 0 244.088 2.254 50 0 BEAARM Cc1[nH]c2c(c1C(=O)[O-])C(=O)CC(C)(C)C2 ZINC000022127056 343040669 /nfs/dbraw/zinc/04/06/69/343040669.db2.gz ONZHBTSNRCDSCR-UHFFFAOYSA-N -1 0 221.256 2.176 50 0 BEAARM CC(C)CN(CCC(=O)[O-])C(=O)c1ccccc1 ZINC000071730872 362022205 /nfs/dbraw/zinc/02/22/05/362022205.db2.gz HSHDFRKODUVCRT-UHFFFAOYSA-N -1 0 249.310 2.260 50 0 BEAARM Cn1cc(CCC(=O)[O-])c(-c2ccccc2)n1 ZINC000026511254 343106684 /nfs/dbraw/zinc/10/66/84/343106684.db2.gz RBSKVRYMLUILNQ-UHFFFAOYSA-N -1 0 230.267 2.104 50 0 BEAARM C[C@@H](C(=O)[O-])N1C[C@H](C)c2ccccc21 ZINC000299738363 136273103 /nfs/dbraw/zinc/27/31/03/136273103.db2.gz AENTXCWRAKZIFA-IUCAKERBSA-N -1 0 205.257 2.083 50 0 BEAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000033710156 343259053 /nfs/dbraw/zinc/25/90/53/343259053.db2.gz RCOVHFCIIDAMJU-UHFFFAOYSA-N -1 0 229.235 2.385 50 0 BEAARM CCCCC[C@@H]1[C@@H](O)CC[C@H]1CC(=O)[O-] ZINC000034181231 343265880 /nfs/dbraw/zinc/26/58/80/343265880.db2.gz AXMWVEOITAQHFI-DCAQKATOSA-N -1 0 214.305 2.429 50 0 BEAARM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)c1ccccc1 ZINC000034265400 343267735 /nfs/dbraw/zinc/26/77/35/343267735.db2.gz SPRHBCOBGFZPAI-WDEREUQCSA-N -1 0 218.252 2.370 50 0 BEAARM Nc1c(Cl)ccc(C(=O)[O-])c1Cl ZINC000034515535 343274054 /nfs/dbraw/zinc/27/40/54/343274054.db2.gz MWIWETSWQFRAPN-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM O=C([O-])[C@H]1CCCCN1c1nc2ccccc2o1 ZINC000034924856 343280276 /nfs/dbraw/zinc/28/02/76/343280276.db2.gz WXTUPZCUXANAJB-SNVBAGLBSA-N -1 0 246.266 2.271 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1nc2ccccc2o1 ZINC000034926284 343280475 /nfs/dbraw/zinc/28/04/75/343280475.db2.gz ZZTHDEKCVGNAJD-NKWVEPMBSA-N -1 0 203.197 2.016 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1nc2ccccc2o1 ZINC000034926282 343280553 /nfs/dbraw/zinc/28/05/53/343280553.db2.gz ZZTHDEKCVGNAJD-BQBZGAKWSA-N -1 0 203.197 2.016 50 0 BEAARM CCOc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000036179784 343311491 /nfs/dbraw/zinc/31/14/91/343311491.db2.gz RJEGUURNUVEJDH-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM O=C([O-])c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000038534087 343376464 /nfs/dbraw/zinc/37/64/64/343376464.db2.gz RYRSBBCTBCSZAK-UHFFFAOYSA-N -1 0 230.145 2.280 50 0 BEAARM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000037373850 343343946 /nfs/dbraw/zinc/34/39/46/343343946.db2.gz TWBGRXXJTOHCNT-AEJSXWLSSA-N -1 0 200.278 2.445 50 0 BEAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000037380867 343344348 /nfs/dbraw/zinc/34/43/48/343344348.db2.gz XRVPPNOXFATEAL-BDAKNGLRSA-N -1 0 228.194 2.476 50 0 BEAARM Cn1ccc(C(=O)[O-])c1-c1ccccc1 ZINC000039104965 343422586 /nfs/dbraw/zinc/42/25/86/343422586.db2.gz KPTMLRRGBKWXAB-UHFFFAOYSA-N -1 0 201.225 2.390 50 0 BEAARM [O-]c1c(F)ccc(Br)c1F ZINC000042750085 343450509 /nfs/dbraw/zinc/45/05/09/343450509.db2.gz GYKSRTXLESCBRM-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=C([O-])c1c[nH]c2cc(Br)cnc12 ZINC000044712918 343512653 /nfs/dbraw/zinc/51/26/53/343512653.db2.gz NYZCINUJMZSSTC-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cccn1-c1ncccc1Cl ZINC000047844123 343566879 /nfs/dbraw/zinc/56/68/79/343566879.db2.gz YCBHRBIFQKGBGR-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM C[C@@H]1CCC(=O)C(=C([O-])c2ccco2)C1 ZINC000043651457 343696869 /nfs/dbraw/zinc/69/68/69/343696869.db2.gz ANGMEORCXOCVFA-BDAKNGLRSA-N -1 0 206.241 2.468 50 0 BEAARM Cc1cc(C(=O)[O-])n(Cc2ccc(C)cc2)n1 ZINC000000127924 178668124 /nfs/dbraw/zinc/66/81/24/178668124.db2.gz HZOHQBAHYIQVLG-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM CC(=O)C1=C([O-])c2ccc(Cl)cc2C1 ZINC000127694503 345214336 /nfs/dbraw/zinc/21/43/36/345214336.db2.gz JHYZQFAAOYBAEI-JTQLQIEISA-N -1 0 208.644 2.284 50 0 BEAARM CCN(CC)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000203790917 345731535 /nfs/dbraw/zinc/73/15/35/345731535.db2.gz OFAVKBLHZDLNTD-UHFFFAOYSA-N -1 0 239.246 2.006 50 0 BEAARM Cc1cccc(Cl)c1NC(=O)CCC(=O)[O-] ZINC000000402024 179108542 /nfs/dbraw/zinc/10/85/42/179108542.db2.gz KGJRASJPVODEIP-UHFFFAOYSA-N -1 0 241.674 2.452 50 0 BEAARM Cc1cccc(NC(=O)CCCC(=O)[O-])c1C ZINC000000235574 179126331 /nfs/dbraw/zinc/12/63/31/179126331.db2.gz KSLOWUHQZUZPKS-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM Cc1ccccc1-n1[n-]c(C(F)(F)F)cc1=O ZINC000017832029 179240992 /nfs/dbraw/zinc/24/09/92/179240992.db2.gz AVROCWMKJYEEOT-UHFFFAOYSA-N -1 0 242.200 2.493 50 0 BEAARM Cc1ccccc1-c1noc(CCC(=O)[O-])n1 ZINC000009280307 179241358 /nfs/dbraw/zinc/24/13/58/179241358.db2.gz DPVKAFMWSAOINX-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000003269714 179252564 /nfs/dbraw/zinc/25/25/64/179252564.db2.gz CEWWDXIXQSJKBJ-GFCCVEGCSA-N -1 0 249.310 2.224 50 0 BEAARM Cc1ccccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000000463045 179298798 /nfs/dbraw/zinc/29/87/98/179298798.db2.gz KAVGMQXZNRZCJY-VIFPVBQESA-N -1 0 235.283 2.434 50 0 BEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C1CC1 ZINC000041298932 179323549 /nfs/dbraw/zinc/32/35/49/179323549.db2.gz PQEYCAAWPRJKPV-GFCCVEGCSA-N -1 0 247.294 2.037 50 0 BEAARM Cc1ccn(-c2cccc(O[C@@H](C)C(=O)[O-])c2)n1 ZINC000067851984 179399540 /nfs/dbraw/zinc/39/95/40/179399540.db2.gz LSZOIXZDHKZTIU-JTQLQIEISA-N -1 0 246.266 2.033 50 0 BEAARM Cc1cn2c(/C=C/C(=O)[O-])c(C)nc2s1 ZINC000008013617 179561642 /nfs/dbraw/zinc/56/16/42/179561642.db2.gz URVNGDQIJADOOF-ONEGZZNKSA-N -1 0 222.269 2.110 50 0 BEAARM Cc1c(Cl)cccc1NC(=O)CCC(=O)[O-] ZINC000000293695 190969556 /nfs/dbraw/zinc/96/95/56/190969556.db2.gz GLCMKFQSMILAEC-UHFFFAOYSA-N -1 0 241.674 2.452 50 0 BEAARM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000001576261 190972335 /nfs/dbraw/zinc/97/23/35/190972335.db2.gz YXJFAOXATCRIKU-SECBINFHSA-N -1 0 245.319 2.353 50 0 BEAARM O=C([O-])[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000145883517 349331016 /nfs/dbraw/zinc/33/10/16/349331016.db2.gz QMMUQXNXBGIHKB-VXNVDRBHSA-N -1 0 246.184 2.253 50 0 BEAARM Cc1nc(C(F)(F)F)sc1CC(=O)[O-] ZINC000049819882 179898233 /nfs/dbraw/zinc/89/82/33/179898233.db2.gz GXXZOSIYNGEOMY-UHFFFAOYSA-N -1 0 225.191 2.097 50 0 BEAARM Cc1nnc(-c2ccc3oc(=S)[n-]c3c2)o1 ZINC000014987538 180395806 /nfs/dbraw/zinc/39/58/06/180395806.db2.gz LUADQOGXQJWBQC-UHFFFAOYSA-N -1 0 233.252 2.475 50 0 BEAARM Cc1nnc(C2CC2)n1-c1ccccc1C(=O)[O-] ZINC000004344275 180398666 /nfs/dbraw/zinc/39/86/66/180398666.db2.gz ZZYSWMZPDNLUKF-UHFFFAOYSA-N -1 0 243.266 2.151 50 0 BEAARM Cc1noc(-c2cccs2)c1CC(=O)[O-] ZINC000071524841 180460512 /nfs/dbraw/zinc/46/05/12/180460512.db2.gz VPAAYOYEHXPDRG-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM Cn1c(C=O)c(SCC(=O)[O-])c2ccccc21 ZINC000032919110 180616965 /nfs/dbraw/zinc/61/69/65/180616965.db2.gz ZBXCYUUJNVTEDW-UHFFFAOYSA-N -1 0 249.291 2.168 50 0 BEAARM COc1cc(F)c(C(=O)[O-])c(Cl)c1 ZINC000215237002 353117730 /nfs/dbraw/zinc/11/77/30/353117730.db2.gz NLCFFGMUZGCKRN-UHFFFAOYSA-N -1 0 204.584 2.186 50 0 BEAARM O=C([O-])c1ccc(Br)c(F)c1 ZINC000002567814 188100947 /nfs/dbraw/zinc/10/09/47/188100947.db2.gz RMYOGXPGIDWJLU-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM C/C(=C\C(=O)Nc1cc(C)cc(C)c1)C(=O)[O-] ZINC000002783144 188101164 /nfs/dbraw/zinc/10/11/64/188101164.db2.gz FQVFGVKIRZKYTN-JXMROGBWSA-N -1 0 233.267 2.273 50 0 BEAARM CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000006306498 188102854 /nfs/dbraw/zinc/10/28/54/188102854.db2.gz MJOSQGRPLTUAHR-LLVKDONJSA-N -1 0 241.331 2.182 50 0 BEAARM CC(C)[C@@H](CC(=O)[O-])N1Cc2ccccc2C1=O ZINC000005847021 188103025 /nfs/dbraw/zinc/10/30/25/188103025.db2.gz YGLGUPAEFIXUOO-GFCCVEGCSA-N -1 0 247.294 2.142 50 0 BEAARM CC(C)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000010109827 188103645 /nfs/dbraw/zinc/10/36/45/188103645.db2.gz RAQMKACVSPTXNB-DCAQKATOSA-N -1 0 241.331 2.038 50 0 BEAARM O=C([O-])c1nccc(C(F)(F)F)c1Cl ZINC000043828150 188122534 /nfs/dbraw/zinc/12/25/34/188122534.db2.gz WDORPWNWWOLVPN-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1cccc(-c2noc(CCCC(=O)[O-])n2)c1 ZINC000019094362 188461123 /nfs/dbraw/zinc/46/11/23/188461123.db2.gz DROIFMGZDXPPQM-UHFFFAOYSA-N -1 0 246.266 2.452 50 0 BEAARM O=C([O-])c1c(O)cc(Cl)cc1Cl ZINC000020593718 188463882 /nfs/dbraw/zinc/46/38/82/188463882.db2.gz GHXWAANNBILSEF-UHFFFAOYSA-N -1 0 207.012 2.397 50 0 BEAARM Cc1csc(NC(=O)NOC2CCCC2)n1 ZINC000089265149 491068080 /nfs/dbraw/zinc/06/80/80/491068080.db2.gz HFAPSBGJQUTFSN-UHFFFAOYSA-N -1 0 241.316 2.447 50 0 BEAARM CCCCC[C@@H]1[C@H](O)CC[C@H]1CC(=O)[O-] ZINC000252513930 168746331 /nfs/dbraw/zinc/74/63/31/168746331.db2.gz AXMWVEOITAQHFI-GARJFASQSA-N -1 0 214.305 2.429 50 0 BEAARM O=C([O-])c1ccccc1-c1nc2cccnc2[nH]1 ZINC000033559231 356367731 /nfs/dbraw/zinc/36/77/31/356367731.db2.gz DUQFRZOCKBOWLN-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC(C)(C)C(=O)Nc1ccc([S@](=O)[O-])cc1 ZINC000675062213 538488472 /nfs/dbraw/zinc/48/84/72/538488472.db2.gz LNDNHJACYMYZCT-UHFFFAOYSA-N -1 0 241.312 2.252 50 0 BEAARM CC[C@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000223877509 538594823 /nfs/dbraw/zinc/59/48/23/538594823.db2.gz PYRCSMBDTADRGF-JTQLQIEISA-N -1 0 228.288 2.031 50 0 BEAARM C/C(=C\c1ccccc1)[C@@H](C(=O)[O-])C(N)=S ZINC000075280116 356938805 /nfs/dbraw/zinc/93/88/05/356938805.db2.gz YPRDDBBOUCUUNA-QROSGCPLSA-N -1 0 235.308 2.077 50 0 BEAARM Cc1cc(O[C@H](C)C(=O)[O-])c(C)c(C)c1O ZINC000000408072 357153367 /nfs/dbraw/zinc/15/33/67/357153367.db2.gz OWLOBKGWOQDOSJ-SECBINFHSA-N -1 0 224.256 2.169 50 0 BEAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cl ZINC000137764460 357992741 /nfs/dbraw/zinc/99/27/41/357992741.db2.gz VTYUFEHTUYSFDC-UHFFFAOYSA-N -1 0 248.673 2.004 50 0 BEAARM O=C([O-])c1ccc2[nH]nc(-c3cccnc3)c2c1 ZINC000031991962 358039603 /nfs/dbraw/zinc/03/96/03/358039603.db2.gz FQTBPWBFIFCMBF-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM Cc1cc(C)nc(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000001907111 359308320 /nfs/dbraw/zinc/30/83/20/359308320.db2.gz FXYIEBKCZUKKES-JTQLQIEISA-N -1 0 237.303 2.005 50 0 BEAARM CC(C)(C)OC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000114281281 360455623 /nfs/dbraw/zinc/45/56/23/360455623.db2.gz QFXNKBXOFLOXRG-ZETCQYMHSA-N -1 0 216.277 2.075 50 0 BEAARM NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000057327763 181319477 /nfs/dbraw/zinc/31/94/77/181319477.db2.gz RDQFGLNYAFHKEC-UHFFFAOYSA-N -1 0 237.111 2.355 50 0 BEAARM Cc1n[nH]cc1-c1ccc(F)c(C(=O)[O-])c1 ZINC000725271311 541339711 /nfs/dbraw/zinc/33/97/11/541339711.db2.gz BZHYYNIVGJPIDB-UHFFFAOYSA-N -1 0 220.203 2.222 50 0 BEAARM O=C([O-])c1c(-c2ccc[nH]2)noc1C(F)F ZINC000675057334 541463066 /nfs/dbraw/zinc/46/30/66/541463066.db2.gz BRSSSGRNKACGDH-UHFFFAOYSA-N -1 0 228.154 2.306 50 0 BEAARM CC(C)(C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000022113938 368373447 /nfs/dbraw/zinc/37/34/47/368373447.db2.gz NFRPKIATGQQKHI-BDAKNGLRSA-N -1 0 228.288 2.219 50 0 BEAARM O=C1CCCC([O-])=C1Sc1ccccc1 ZINC000196601571 368396709 /nfs/dbraw/zinc/39/67/09/368396709.db2.gz GSZIVGBOSMBPOG-UHFFFAOYSA-N -1 0 220.293 2.469 50 0 BEAARM Nc1c(Cl)ccc(Cl)c1C(=O)[O-] ZINC000000156349 181668299 /nfs/dbraw/zinc/66/82/99/181668299.db2.gz MMIREQFMYZQWLU-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM CCOc1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000002480470 371558525 /nfs/dbraw/zinc/55/85/25/371558525.db2.gz MNXPQAUIAUCMLZ-UHFFFAOYSA-N -1 0 236.296 2.348 50 0 BEAARM O=[S@@]([O-])c1cc(Br)ccc1F ZINC000162611403 371730043 /nfs/dbraw/zinc/73/00/43/371730043.db2.gz MPUXOLHETYZAMT-UHFFFAOYSA-N -1 0 239.065 2.169 50 0 BEAARM O=C([O-])c1cc(C(=O)Cc2ccccc2)c[nH]1 ZINC000001403989 182044455 /nfs/dbraw/zinc/04/44/55/182044455.db2.gz BSNVGIOVSZCLQA-UHFFFAOYSA-N -1 0 229.235 2.138 50 0 BEAARM O=C([O-])C1(NC(=O)c2ccccc2)CCCCC1 ZINC000013168204 182089228 /nfs/dbraw/zinc/08/92/28/182089228.db2.gz ZLBPKXQOOLZRLP-UHFFFAOYSA-N -1 0 247.294 2.204 50 0 biogenic BEAARM O=C(NC1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000186934653 182100456 /nfs/dbraw/zinc/10/04/56/182100456.db2.gz KAFSIEIMIJXQEC-UHFFFAOYSA-N -1 0 229.638 2.077 50 0 BEAARM O=C([O-])/C=C/c1ccc(Br)o1 ZINC000000544560 182411306 /nfs/dbraw/zinc/41/13/06/182411306.db2.gz IIMYTCICBUBFJH-DUXPYHPUSA-N -1 0 217.018 2.140 50 0 BEAARM O=C([O-])C1(CCOCc2ccccc2)CC1 ZINC000095883613 182422692 /nfs/dbraw/zinc/42/26/92/182422692.db2.gz HUFDBLNVIRUMQA-UHFFFAOYSA-N -1 0 220.268 2.458 50 0 BEAARM O=C([O-])CCCCCCNC(=O)c1ccccc1 ZINC000019513146 182436724 /nfs/dbraw/zinc/43/67/24/182436724.db2.gz MWCXFMZMNBCOJN-UHFFFAOYSA-N -1 0 249.310 2.452 50 0 BEAARM O=C([O-])CCOc1ccc(Cl)cc1 ZINC000000366799 182449405 /nfs/dbraw/zinc/44/94/05/182449405.db2.gz OWHJDUCBLVMRBJ-UHFFFAOYSA-N -1 0 200.621 2.194 50 0 BEAARM O=C([O-])CCSCCC(F)(F)F ZINC000005113800 182449587 /nfs/dbraw/zinc/44/95/87/182449587.db2.gz KGAUNOUXSXJJRZ-UHFFFAOYSA-N -1 0 202.197 2.147 50 0 BEAARM O=C([O-])CCc1ccc(NC(=O)C2CCC2)cc1 ZINC000096480557 182454535 /nfs/dbraw/zinc/45/45/35/182454535.db2.gz YNSMXNIEYHSCSS-UHFFFAOYSA-N -1 0 247.294 2.442 50 0 BEAARM O=C([O-])COCCc1ccc(Cl)s1 ZINC000041044404 182468291 /nfs/dbraw/zinc/46/82/91/182468291.db2.gz JZLXDEBFOGAZGZ-UHFFFAOYSA-N -1 0 220.677 2.045 50 0 BEAARM O=C([O-])CCn1cc(Cl)c(C(F)(F)F)n1 ZINC000002537070 182458091 /nfs/dbraw/zinc/45/80/91/182458091.db2.gz OFWQREWWEXRWKS-UHFFFAOYSA-N -1 0 242.584 2.030 50 0 BEAARM O=C([O-])[C@@H](Cc1ccco1)C(F)(F)F ZINC000002379376 182500930 /nfs/dbraw/zinc/50/09/30/182500930.db2.gz QBYZPEJVGHRMIX-ZCFIWIBFSA-N -1 0 208.135 2.085 50 0 BEAARM O=C([O-])Cc1ccc(Br)cc1 ZINC000000167159 182490038 /nfs/dbraw/zinc/49/00/38/182490038.db2.gz QOWSWEBLNVACCL-UHFFFAOYSA-N -1 0 215.046 2.076 50 0 in-vitro BEAARM O=C([O-])Cc1ccc(OCc2ccncc2)cc1 ZINC000019843608 182491499 /nfs/dbraw/zinc/49/14/99/182491499.db2.gz LXWPGMRTGJBDEN-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM O=C([O-])Cc1cccc(F)c1C(F)(F)F ZINC000038529606 182492801 /nfs/dbraw/zinc/49/28/01/182492801.db2.gz MQDCRGGUZQIVBB-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM O=C([O-])[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000034070205 182540568 /nfs/dbraw/zinc/54/05/68/182540568.db2.gz CGJLAUQMHSAAMY-QMMMGPOBSA-N -1 0 215.252 2.357 50 0 BEAARM O=C([O-])c1c(F)cccc1Br ZINC000001732025 182548800 /nfs/dbraw/zinc/54/88/00/182548800.db2.gz MDAZJVAIZVUWDE-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM O=C([O-])c1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000070460254 182549561 /nfs/dbraw/zinc/54/95/61/182549561.db2.gz FXNNWDFZQWBOLL-UHFFFAOYSA-N -1 0 224.166 2.053 50 0 BEAARM O=C([O-])c1cc(/C=C/c2ccccc2)ncn1 ZINC000084517632 182551821 /nfs/dbraw/zinc/55/18/21/182551821.db2.gz SMLWZSNDCJIJHD-VOTSOKGWSA-N -1 0 226.235 2.345 50 0 BEAARM O=C([O-])c1cc(C2CC2)n2nc(C3CC3)cc2n1 ZINC000041288288 182554020 /nfs/dbraw/zinc/55/40/20/182554020.db2.gz PUIAHZOOCCYGKT-UHFFFAOYSA-N -1 0 243.266 2.182 50 0 BEAARM O=C([O-])c1cc(F)c(OCC2CC2)c(F)c1 ZINC000063003959 182556490 /nfs/dbraw/zinc/55/64/90/182556490.db2.gz PFVZZPBKPNWGMO-UHFFFAOYSA-N -1 0 228.194 2.452 50 0 BEAARM O=C([O-])c1cnc2[nH]cc(Br)c2c1 ZINC000206019923 182590442 /nfs/dbraw/zinc/59/04/42/182590442.db2.gz LKXGBGGSAMCDSJ-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1cnn(-c2cccc(Cl)c2)c1 ZINC000019519585 182591669 /nfs/dbraw/zinc/59/16/69/182591669.db2.gz YCSXAOLUTJUXFI-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000000164779 182578690 /nfs/dbraw/zinc/57/86/90/182578690.db2.gz OKPFIWIMBJNFSE-UHFFFAOYSA-N -1 0 206.119 2.283 50 0 BEAARM O=C([O-])c1cccc(OCc2cccnc2)c1 ZINC000022170843 182579028 /nfs/dbraw/zinc/57/90/28/182579028.db2.gz MOEOUPZPWRMGFV-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1cnoc1-c1ccccc1F ZINC000008700124 182592905 /nfs/dbraw/zinc/59/29/05/182592905.db2.gz ZYGWUDJUJQNWHC-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1csc(Cc2ccccc2)n1 ZINC000001406911 182594300 /nfs/dbraw/zinc/59/43/00/182594300.db2.gz OUVVHURAIHESSK-UHFFFAOYSA-N -1 0 219.265 2.432 50 0 BEAARM O=C([O-])c1ncoc1-c1ccccc1F ZINC000016159701 182596781 /nfs/dbraw/zinc/59/67/81/182596781.db2.gz COYYCXFHTJQGGF-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM O=C([O-])c1ncccc1C(=O)c1ccccc1 ZINC000000135598 182678111 /nfs/dbraw/zinc/67/81/11/182678111.db2.gz YERHKEWRHQIXFY-UHFFFAOYSA-N -1 0 227.219 2.011 50 0 BEAARM O=Cc1cccnc1-c1ccc(C(=O)[O-])cc1 ZINC000044154453 182873566 /nfs/dbraw/zinc/87/35/66/182873566.db2.gz PWIVVTTZPDIRFU-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM CCCC[C@H](CC)COC(=O)/C=C\C(=O)[O-] ZINC000028630671 168998763 /nfs/dbraw/zinc/99/87/63/168998763.db2.gz IQBLWPLYPNOTJC-DMEOUFDRSA-N -1 0 228.288 2.387 50 0 BEAARM CCCOc1cc(OC)ccc1C(=O)[O-] ZINC000011952024 169315373 /nfs/dbraw/zinc/31/53/73/169315373.db2.gz ISQXIGUSUAIWIV-UHFFFAOYSA-N -1 0 210.229 2.182 50 0 BEAARM CCC[C@@H](NC(=O)C=C1CCCCC1)C(=O)[O-] ZINC000097039182 169396271 /nfs/dbraw/zinc/39/62/71/169396271.db2.gz BEHPBIIHOMGGLO-LLVKDONJSA-N -1 0 239.315 2.246 50 0 BEAARM O=C([O-])CSc1ccc(C(F)(F)F)cn1 ZINC000000093367 383826208 /nfs/dbraw/zinc/82/62/08/383826208.db2.gz HLRZBKKLNAKHDT-UHFFFAOYSA-N -1 0 237.202 2.277 50 0 BEAARM COc1ccc(Br)c(C(=O)[O-])c1 ZINC000000164386 383839749 /nfs/dbraw/zinc/83/97/49/383839749.db2.gz ODHJOROUCITYNF-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM O=C([O-])C1(c2ccc(O)cc2)CCCC1 ZINC000000241531 383845730 /nfs/dbraw/zinc/84/57/30/383845730.db2.gz WEFJDJWOBAKQOU-UHFFFAOYSA-N -1 0 206.241 2.289 50 0 biogenic BEAARM O=C([O-])CCc1nc2ccccc2s1 ZINC000000253409 383848003 /nfs/dbraw/zinc/84/80/03/383848003.db2.gz WHNQTHDJEZTVHS-UHFFFAOYSA-N -1 0 207.254 2.314 50 0 BEAARM CC1(C)Cc2occ(C(=O)[O-])c2C(=O)C1 ZINC000000301721 383854371 /nfs/dbraw/zinc/85/43/71/383854371.db2.gz KOXFZRZSHOMWOM-UHFFFAOYSA-N -1 0 208.213 2.133 50 0 biogenic BEAARM O=C([O-])Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000000409472 383866617 /nfs/dbraw/zinc/86/66/17/383866617.db2.gz URPHEJXRXMWZPF-UHFFFAOYSA-N -1 0 238.630 2.017 50 0 BEAARM CC[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000035670947 383866802 /nfs/dbraw/zinc/86/68/02/383866802.db2.gz WXXLWKGBJPLOCH-LLVKDONJSA-N -1 0 235.283 2.119 50 0 BEAARM CCc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000461720 383869544 /nfs/dbraw/zinc/86/95/44/383869544.db2.gz IZJIRCVZHFGXPI-UHFFFAOYSA-N -1 0 221.256 2.052 50 0 BEAARM Cc1cc(C(=O)[O-])ccc1-n1cccc1 ZINC000000450455 383869814 /nfs/dbraw/zinc/86/98/14/383869814.db2.gz LJRWOXORJJQUAU-UHFFFAOYSA-N -1 0 201.225 2.484 50 0 BEAARM O=C([O-])c1cc(/C=C\c2ccccc2)ncn1 ZINC000098063067 383874404 /nfs/dbraw/zinc/87/44/04/383874404.db2.gz SMLWZSNDCJIJHD-SREVYHEPSA-N -1 0 226.235 2.345 50 0 BEAARM CO[C@H](CC(=O)[O-])c1nc2ccccc2s1 ZINC000000529318 383875699 /nfs/dbraw/zinc/87/56/99/383875699.db2.gz PWLPZAGOMVPORD-MRVPVSSYSA-N -1 0 237.280 2.459 50 0 BEAARM O=C([O-])CNc1cccc(C(F)(F)F)c1 ZINC000000126639 383830108 /nfs/dbraw/zinc/83/01/08/383830108.db2.gz JUXDXJXSMIGCPK-UHFFFAOYSA-N -1 0 219.162 2.202 50 0 BEAARM O=C([O-])CNc1ccc(Cl)c(Cl)c1 ZINC000001604852 383912751 /nfs/dbraw/zinc/91/27/51/383912751.db2.gz BBWWOXQXCLAUKG-UHFFFAOYSA-N -1 0 220.055 2.490 50 0 BEAARM O=C([O-])c1cccc([C@H]2CCCOC2)c1 ZINC000088611628 383917905 /nfs/dbraw/zinc/91/79/05/383917905.db2.gz NJIAFDWKXOJCKQ-NSHDSACASA-N -1 0 206.241 2.279 50 0 BEAARM CCCCOc1ccc(C(=O)[O-])cc1N ZINC000036225654 383886014 /nfs/dbraw/zinc/88/60/14/383886014.db2.gz FEDSDLQMPFVLML-UHFFFAOYSA-N -1 0 209.245 2.146 50 0 BEAARM CC(C)COc1ccc(C(=O)[O-])cc1N ZINC000036225659 383886944 /nfs/dbraw/zinc/88/69/44/383886944.db2.gz PFKFAAZXTCLEOI-UHFFFAOYSA-N -1 0 209.245 2.002 50 0 BEAARM C/C(=C(/Br)C(=O)[O-])C(F)(F)F ZINC000036533651 383903323 /nfs/dbraw/zinc/90/33/23/383903323.db2.gz QOSBCILIDDOEPN-IHWYPQMZSA-N -1 0 232.983 2.302 50 0 BEAARM O=C([O-])Cc1cccc(OC(F)(F)F)c1F ZINC000036533791 383903959 /nfs/dbraw/zinc/90/39/59/383903959.db2.gz QTEFUQHCNAYNNO-UHFFFAOYSA-N -1 0 238.136 2.351 50 0 BEAARM O=C([O-])Cc1ccc(-c2cccnc2)cc1 ZINC000002581090 383978850 /nfs/dbraw/zinc/97/88/50/383978850.db2.gz ROODCPVYMCCLGD-UHFFFAOYSA-N -1 0 213.236 2.376 50 0 BEAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002572713 383978945 /nfs/dbraw/zinc/97/89/45/383978945.db2.gz XRVAMBSTOWHUMM-SECBINFHSA-N -1 0 245.319 2.401 50 0 BEAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)ncn1 ZINC000071545197 383998298 /nfs/dbraw/zinc/99/82/98/383998298.db2.gz HAWXZJKGSRBSAI-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])CCCC(=O)c1c(F)cccc1F ZINC000002378730 383958460 /nfs/dbraw/zinc/95/84/60/383958460.db2.gz YDTHKKKNBOLTLB-UHFFFAOYSA-N -1 0 228.194 2.402 50 0 BEAARM O=C([O-])Cc1c(F)ccc(Cl)c1F ZINC000002381669 383959459 /nfs/dbraw/zinc/95/94/59/383959459.db2.gz KYNHMNUEUZZTLW-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM O=C([O-])CCCC(=O)c1ccccc1F ZINC000002378735 383959672 /nfs/dbraw/zinc/95/96/72/383959672.db2.gz JLWPLUVEHPUZJI-UHFFFAOYSA-N -1 0 210.204 2.263 50 0 BEAARM CO[C@H]1CCCC[C@@H]1CCCC(=O)[O-] ZINC000071773680 384001422 /nfs/dbraw/zinc/00/14/22/384001422.db2.gz HJJOXJOKFYPOPJ-ZJUUUORDSA-N -1 0 200.278 2.447 50 0 BEAARM O=C([O-])CCc1ccc(Cl)c(F)c1 ZINC000002528440 383970957 /nfs/dbraw/zinc/97/09/57/383970957.db2.gz GDXMVKNNJGWZFN-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM C[C@@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000002527156 383972017 /nfs/dbraw/zinc/97/20/17/383972017.db2.gz TZNCDXAIDIETKV-BDAKNGLRSA-N -1 0 243.303 2.107 50 0 BEAARM O=C([O-])COc1cccc2c1CCCC2 ZINC000004201314 384044033 /nfs/dbraw/zinc/04/40/33/384044033.db2.gz ZLTIOGLTLCOWJI-UHFFFAOYSA-N -1 0 206.241 2.029 50 0 BEAARM O=C([O-])CSc1cc(F)ccc1F ZINC000004207155 384044819 /nfs/dbraw/zinc/04/48/19/384044819.db2.gz RRXDCAAAPFQWKI-UHFFFAOYSA-N -1 0 204.197 2.142 50 0 BEAARM O=C([O-])/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000004205844 384044883 /nfs/dbraw/zinc/04/48/83/384044883.db2.gz JVQAFDBYQZAWNY-OWOJBTEDSA-N -1 0 226.615 2.167 50 0 BEAARM Cc1noc(C)c1Cc1ccc(C(=O)[O-])o1 ZINC000004235027 384050312 /nfs/dbraw/zinc/05/03/12/384050312.db2.gz MENMEWDWZRFWGN-UHFFFAOYSA-N -1 0 221.212 2.173 50 0 BEAARM O=C([O-])Cc1ccc(F)cc1C(F)(F)F ZINC000004265145 384052235 /nfs/dbraw/zinc/05/22/35/384052235.db2.gz BMUFUJMVNODTAD-UHFFFAOYSA-N -1 0 222.137 2.472 50 0 BEAARM O=C([O-])c1nc(C(F)(F)F)ccc1Cl ZINC000090693726 384068549 /nfs/dbraw/zinc/06/85/49/384068549.db2.gz XXLAXZNHHWJHOO-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM COc1ccc(Br)c(CC(=O)[O-])c1 ZINC000039121986 384107092 /nfs/dbraw/zinc/10/70/92/384107092.db2.gz XEXHAKGPISSIIX-UHFFFAOYSA-N -1 0 245.072 2.085 50 0 BEAARM COc1c(Cl)ccc(C(=O)[O-])c1F ZINC000091252029 384111329 /nfs/dbraw/zinc/11/13/29/384111329.db2.gz ODAJPJWSLSBLLM-UHFFFAOYSA-N -1 0 204.584 2.186 50 0 BEAARM O=C([O-])C1(c2c(F)cccc2F)CCC1 ZINC000040447870 384150935 /nfs/dbraw/zinc/15/09/35/384150935.db2.gz DYFCQGKQXNYJNN-UHFFFAOYSA-N -1 0 212.195 2.471 50 0 BEAARM CCc1cccc(C(=O)[O-])c1-n1cccn1 ZINC000040449008 384154854 /nfs/dbraw/zinc/15/48/54/384154854.db2.gz JRLZTPHQMUWAMO-UHFFFAOYSA-N -1 0 216.240 2.133 50 0 BEAARM O=C([O-])c1ccc(C(F)(F)F)c(O)c1 ZINC000071260675 384156841 /nfs/dbraw/zinc/15/68/41/384156841.db2.gz ZZSMIPAVTZJPHQ-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM O=C([O-])c1cn(Cc2ccc(Cl)cc2)cn1 ZINC000071547518 384172171 /nfs/dbraw/zinc/17/21/71/384172171.db2.gz XOVSCYWTVHFOHI-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM CCc1ccc(OC)c([C@@H](O)CCC(=O)[O-])c1 ZINC000006678503 384163419 /nfs/dbraw/zinc/16/34/19/384163419.db2.gz ZJSIZHYKJPBPCJ-NSHDSACASA-N -1 0 238.283 2.156 50 0 BEAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1 ZINC000006849116 384169169 /nfs/dbraw/zinc/16/91/69/384169169.db2.gz IWGBODCKAGBEOR-UHFFFAOYSA-N -1 0 216.240 2.392 50 0 BEAARM COc1cc(C(=O)[O-])nc2c(C)cccc12 ZINC000071775328 384177435 /nfs/dbraw/zinc/17/74/35/384177435.db2.gz ALWRPRYXGWXIJP-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM C[C@@H](CO)Cc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000071773500 384178052 /nfs/dbraw/zinc/17/80/52/384178052.db2.gz HFAIHLSDLUYLQA-NXEZZACHSA-N -1 0 222.284 2.046 50 0 world BEAARM Cc1cc(C(=O)[O-])nc(Nc2cccc(F)c2)n1 ZINC000072240764 384201672 /nfs/dbraw/zinc/20/16/72/384201672.db2.gz HVWBXUHXFVYUBB-UHFFFAOYSA-N -1 0 247.229 2.366 50 0 BEAARM O=C([O-])Cc1cccc(OCC(F)(F)F)c1 ZINC000042417272 384216756 /nfs/dbraw/zinc/21/67/56/384216756.db2.gz NCJHCUKPPQDYCF-UHFFFAOYSA-N -1 0 234.173 2.255 50 0 BEAARM COC(=O)c1cc(-c2ccc(C)s2)[nH]n1 ZINC000008793615 384217205 /nfs/dbraw/zinc/21/72/05/384217205.db2.gz YQWGNCXSSUIHIL-UHFFFAOYSA-N -1 0 222.269 2.233 50 0 BEAARM O=C([O-])Cc1cccc(OCc2ccccn2)c1 ZINC000042417268 384218232 /nfs/dbraw/zinc/21/82/32/384218232.db2.gz JREBDOQLTLBUIN-UHFFFAOYSA-N -1 0 243.262 2.288 50 0 BEAARM CCCCC[C@@H](NC(=O)C=C(C)C)C(=O)[O-] ZINC000097036358 384293690 /nfs/dbraw/zinc/29/36/90/384293690.db2.gz CYXTZTPPBDWNHK-SNVBAGLBSA-N -1 0 227.304 2.102 50 0 BEAARM Cc1nc(-c2ccco2)[nH]c(=S)c1C(=O)[O-] ZINC000012505744 384322121 /nfs/dbraw/zinc/32/21/21/384322121.db2.gz KWHJYRNULLJIKY-UHFFFAOYSA-N -1 0 236.252 2.032 50 0 BEAARM O=C([O-])c1csc(-c2ncccc2F)n1 ZINC000075879381 384345026 /nfs/dbraw/zinc/34/50/26/384345026.db2.gz KNLXDRWBMCSBJL-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM Cc1ccc(C2(C(=O)[O-])CCOCC2)cc1 ZINC000013483681 384362283 /nfs/dbraw/zinc/36/22/83/384362283.db2.gz WKBWRKZYENMFQB-UHFFFAOYSA-N -1 0 220.268 2.128 50 0 BEAARM COc1cc(C)c(/C=C/C(=O)[O-])c(C)c1 ZINC000094993277 384325640 /nfs/dbraw/zinc/32/56/40/384325640.db2.gz CRABHSBVXYCVLT-SNAWJCMRSA-N -1 0 206.241 2.410 50 0 BEAARM Cc1cc(C(=O)[O-])c(C)n1Cc1ccccn1 ZINC000012526558 384327017 /nfs/dbraw/zinc/32/70/17/384327017.db2.gz JUKMTKLRGDLEGF-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])C(C)(C)C ZINC000095836241 384402594 /nfs/dbraw/zinc/40/25/94/384402594.db2.gz YYOSOHHBTSZOOE-MRVPVSSYSA-N -1 0 245.319 2.258 50 0 BEAARM CC[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000096029052 384422605 /nfs/dbraw/zinc/42/26/05/384422605.db2.gz YFIPZUZLYSJBGR-NSHDSACASA-N -1 0 236.267 2.231 50 0 BEAARM O=C([O-])Cc1cc(Cl)c(F)cc1F ZINC000215344493 384380427 /nfs/dbraw/zinc/38/04/27/384380427.db2.gz LJMKSRVRPKJUFS-UHFFFAOYSA-N -1 0 206.575 2.245 50 0 BEAARM CC(C)(C)OC(=O)Nc1cnc(C(=O)[O-])s1 ZINC000095630150 384384806 /nfs/dbraw/zinc/38/48/06/384384806.db2.gz ZWARRBACZKJRHL-UHFFFAOYSA-N -1 0 244.272 2.188 50 0 BEAARM O=C([O-])c1cc(Br)cc2c[nH]nc21 ZINC000076935873 384388860 /nfs/dbraw/zinc/38/88/60/384388860.db2.gz HBCUQNYHXNSYGH-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])C[N@H+](Cc1ccccc1F)C1CCC1 ZINC000238154839 384516144 /nfs/dbraw/zinc/51/61/44/384516144.db2.gz DBCIDVMKCPPHEJ-UHFFFAOYSA-N -1 0 237.274 2.265 50 0 BEAARM O=C([O-])CO[C@@H]1CCCc2ccccc21 ZINC000019426941 384521979 /nfs/dbraw/zinc/52/19/79/384521979.db2.gz BYFHZBLEBSOMPZ-LLVKDONJSA-N -1 0 206.241 2.165 50 0 BEAARM O=C([O-])CCC(=O)Nc1cnc2ccccc2c1 ZINC000000417944 384665516 /nfs/dbraw/zinc/66/55/16/384665516.db2.gz GSONHOBISRYTOK-UHFFFAOYSA-N -1 0 244.250 2.038 50 0 BEAARM CCC(CC)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000022052771 384728085 /nfs/dbraw/zinc/72/80/85/384728085.db2.gz IWFUADFCRJVRNH-VIFPVBQESA-N -1 0 245.319 2.401 50 0 in-vitro BEAARM CC(=O)c1c(C)[nH]c(C(=O)[O-])c1C(C)C ZINC000083254971 384754934 /nfs/dbraw/zinc/75/49/34/384754934.db2.gz JJULLPVWPMCVPA-UHFFFAOYSA-N -1 0 209.245 2.347 50 0 BEAARM CCONC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000024663697 384825592 /nfs/dbraw/zinc/82/55/92/384825592.db2.gz HPQNJZVLWGNONQ-UHFFFAOYSA-N -1 0 232.283 2.087 50 0 BEAARM O=C([O-])Cn1ccc2c1cccc2Cl ZINC000026511210 384875198 /nfs/dbraw/zinc/87/51/98/384875198.db2.gz PNLASXUJLCUSCY-UHFFFAOYSA-N -1 0 209.632 2.379 50 0 BEAARM O=C([O-])c1n[nH]c2c1cccc2Br ZINC000026894318 384888038 /nfs/dbraw/zinc/88/80/38/384888038.db2.gz HJSGTNVPWFFHOJ-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM C/C=C(\C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000271936176 385049671 /nfs/dbraw/zinc/04/96/71/385049671.db2.gz NZXXWGVELXPDNC-XCVCLJGOSA-N -1 0 247.294 2.010 50 0 BEAARM O=C([O-])CCC(=O)N1CCCCc2ccccc21 ZINC000032918730 385190112 /nfs/dbraw/zinc/19/01/12/385190112.db2.gz XCEOETSOQLSHMA-UHFFFAOYSA-N -1 0 247.294 2.221 50 0 BEAARM O=C([O-])Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000095762005 385207319 /nfs/dbraw/zinc/20/73/19/385207319.db2.gz GNGBTCBIYJLJDV-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM C[C@H](C(=O)[O-])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000052259162 385710402 /nfs/dbraw/zinc/71/04/02/385710402.db2.gz XYSHVMJDFZAJEL-RCOVLWMOSA-N -1 0 246.209 2.042 50 0 BEAARM O=C([O-])CC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000263623098 386157132 /nfs/dbraw/zinc/15/71/32/386157132.db2.gz DPWSDVFYBNIVCM-UHFFFAOYSA-N -1 0 246.184 2.292 50 0 BEAARM O=C([O-])c1cn2c3c1cccc3CCC2 ZINC000064033447 386306325 /nfs/dbraw/zinc/30/63/25/386306325.db2.gz MRXVBECVIDBEOS-UHFFFAOYSA-N -1 0 201.225 2.286 50 0 BEAARM O=C([O-])[C@H]1CCCC[C@@H]1c1cccnc1 ZINC000062569309 386591972 /nfs/dbraw/zinc/59/19/72/386591972.db2.gz JVDWCSFNPJYXRT-MNOVXSKESA-N -1 0 205.257 2.440 50 0 BEAARM Cc1nc([N-]c2ncccn2)nc2ccccc12 ZINC000020799842 386722671 /nfs/dbraw/zinc/72/26/71/386722671.db2.gz ZXJVJPABBFBYBD-UHFFFAOYSA-N -1 0 237.266 2.472 50 0 BEAARM Cc1ccnc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000061858439 386831066 /nfs/dbraw/zinc/83/10/66/386831066.db2.gz MOYTUSIFWRQZSJ-UHFFFAOYSA-N -1 0 229.239 2.227 50 0 BEAARM Cc1sc(CC(=O)[O-])nc1-c1ccco1 ZINC000054084458 387032219 /nfs/dbraw/zinc/03/22/19/387032219.db2.gz FYDZRNASLJYECW-UHFFFAOYSA-N -1 0 223.253 2.339 50 0 BEAARM Cc1c(C(=O)[O-])n[nH]c1OC1CCCCC1 ZINC000072209342 387122040 /nfs/dbraw/zinc/12/20/40/387122040.db2.gz NQWMKEZSZUZWTF-UHFFFAOYSA-N -1 0 224.260 2.128 50 0 BEAARM COc1ccc2c(CC(=O)[O-])coc2c1C ZINC000536952019 387163545 /nfs/dbraw/zinc/16/35/45/387163545.db2.gz BBFOKHVYRGPUAQ-UHFFFAOYSA-N -1 0 220.224 2.377 50 0 BEAARM O=C([O-])[C@H]1CC12C(Cl)(Cl)C2(Cl)Cl ZINC000250656458 387166163 /nfs/dbraw/zinc/16/61/63/387166163.db2.gz OAXSBVCQAMQFKW-UWTATZPHSA-N -1 0 249.908 2.439 50 0 BEAARM O=C([O-])c1cn(Cc2cccc(Cl)c2)cn1 ZINC000071547517 387284559 /nfs/dbraw/zinc/28/45/59/387284559.db2.gz DDJFYFYMPDTGII-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM CCO[N-]C(=O)[C@H](C)Oc1cccc(C)c1C ZINC000036393840 387790299 /nfs/dbraw/zinc/79/02/99/387790299.db2.gz BHWOATZDNFHBTK-NSHDSACASA-N -1 0 237.299 2.138 50 0 BEAARM Cc1cc(C)c(C(=O)[O-])c(Br)n1 ZINC000026459676 177849024 /nfs/dbraw/zinc/84/90/24/177849024.db2.gz VDZVUXBLMYTACO-UHFFFAOYSA-N -1 0 230.061 2.159 50 0 BEAARM Cc1cc(C(=O)[O-])c2c(n1)onc2C1CC1 ZINC000022214435 177823796 /nfs/dbraw/zinc/82/37/96/177823796.db2.gz ATWDIHGDDPXCHI-UHFFFAOYSA-N -1 0 218.212 2.107 50 0 BEAARM C/C=C(\C)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000254842412 388377872 /nfs/dbraw/zinc/37/78/72/388377872.db2.gz HYBNEVPLJVUBAF-VIXUHMKYSA-N -1 0 239.315 2.102 50 0 BEAARM CC(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000007989246 388399824 /nfs/dbraw/zinc/39/98/24/388399824.db2.gz GCYAYALKLULVFC-UHFFFAOYSA-N -1 0 228.631 2.006 50 0 BEAARM CCC[C@@](C)(NC(=O)[C@@H](C)C(C)C)C(=O)[O-] ZINC000069684957 388424487 /nfs/dbraw/zinc/42/44/87/388424487.db2.gz XWRXDKMAQUKABW-JOYOIKCWSA-N -1 0 229.320 2.038 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000134903512 388593506 /nfs/dbraw/zinc/59/35/06/388593506.db2.gz RELMMCLJMQTQFA-QPUJVOFHSA-N -1 0 243.303 2.155 50 0 BEAARM Cc1cc(Br)cc(C(=O)[O-])c1O ZINC000000400040 177722533 /nfs/dbraw/zinc/72/25/33/177722533.db2.gz YMYKOYICVWKQFQ-UHFFFAOYSA-N -1 0 231.045 2.161 50 0 BEAARM CCN(CC)c1ccc(N=Nc2nnn[n-]2)cc1 ZINC000254384430 388732863 /nfs/dbraw/zinc/73/28/63/388732863.db2.gz VWDQYYXKKLHIBC-UHFFFAOYSA-N -1 0 245.290 2.461 50 0 BEAARM CCCCC[C@@H](NC(=O)C1CCCC1)C(=O)[O-] ZINC000095989705 388802333 /nfs/dbraw/zinc/80/23/33/388802333.db2.gz FIXYKUDPWWGLMB-LLVKDONJSA-N -1 0 241.331 2.326 50 0 BEAARM O=C([O-])c1cnc(/C=C\c2cccnc2)s1 ZINC000096189864 388810625 /nfs/dbraw/zinc/81/06/25/388810625.db2.gz NGLRLBSEJJCXGN-ARJAWSKDSA-N -1 0 232.264 2.407 50 0 BEAARM Cc1cc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)no1 ZINC000003357019 177697708 /nfs/dbraw/zinc/69/77/08/177697708.db2.gz KNWXGLFNPYEIDZ-SNAWJCMRSA-N -1 0 246.266 2.488 50 0 BEAARM COc1cc(Br)cc(C(=O)[O-])c1 ZINC000000393525 533487644 /nfs/dbraw/zinc/48/76/44/533487644.db2.gz DMXJBCHYVUGXEH-UHFFFAOYSA-N -1 0 231.045 2.156 50 0 BEAARM CC(C)CCCCCOS(=O)(=O)[O-] ZINC000014591952 166801821 /nfs/dbraw/zinc/80/18/21/166801821.db2.gz VOXCUZGLPPXOHV-UHFFFAOYSA-N -1 0 210.295 2.022 50 0 BEAARM O=C([O-])/C=C/c1ccc(N2CCCCC2)nc1 ZINC000014808147 132322698 /nfs/dbraw/zinc/32/26/98/132322698.db2.gz BFOWLHXQLJGOTB-FNORWQNLSA-N -1 0 232.283 2.170 50 0 BEAARM O=C([O-])c1cnc(N2CCCCC2)nc1C1CC1 ZINC000043558536 132353377 /nfs/dbraw/zinc/35/33/77/132353377.db2.gz VAMIBZMEUNARNZ-UHFFFAOYSA-N -1 0 247.298 2.043 50 0 BEAARM O=C([O-])C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC000263004658 135326522 /nfs/dbraw/zinc/32/65/22/135326522.db2.gz ROVHIGBLXYHAKQ-NSHDSACASA-N -1 0 239.315 2.032 50 0 BEAARM CSc1ccc(OCC(=O)[O-])cc1C ZINC000000340917 397914641 /nfs/dbraw/zinc/91/46/41/397914641.db2.gz DJAIXSIYKNHEBU-UHFFFAOYSA-N -1 0 212.270 2.180 50 0 BEAARM O=C([O-])c1coc(COCC(F)(F)F)c1 ZINC000004727814 397926017 /nfs/dbraw/zinc/92/60/17/397926017.db2.gz ZZPHUNYVIDUSSC-UHFFFAOYSA-N -1 0 224.134 2.057 50 0 BEAARM COc1c(C)cc(Cl)cc1C(=O)[O-] ZINC000040545571 398028446 /nfs/dbraw/zinc/02/84/46/398028446.db2.gz HJDWCCOAKNMCDF-UHFFFAOYSA-N -1 0 200.621 2.355 50 0 BEAARM CC[C@H](C)n1ncc2cc(C(=O)[O-])cnc21 ZINC000022143406 397972639 /nfs/dbraw/zinc/97/26/39/397972639.db2.gz NHPDQPACTIHEGT-ZETCQYMHSA-N -1 0 219.244 2.101 50 0 BEAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008766917 166231221 /nfs/dbraw/zinc/23/12/21/166231221.db2.gz VPRXFPRQOVSPAO-SREVYHEPSA-N -1 0 239.658 2.309 50 0 BEAARM CC(C)CCc1[nH]nc(C(=O)[O-])c1Cl ZINC000085863777 166916515 /nfs/dbraw/zinc/91/65/15/166916515.db2.gz CTRWWACYUHKWBN-UHFFFAOYSA-N -1 0 216.668 2.350 50 0 BEAARM CC[C@@H]1C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C ZINC000103515943 410901224 /nfs/dbraw/zinc/90/12/24/410901224.db2.gz YFTUMRAQSVSEGP-NSHDSACASA-N -1 0 246.266 2.134 50 0 BEAARM CC(C)NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000238938 167082169 /nfs/dbraw/zinc/08/21/69/167082169.db2.gz LBJUSTCMHUWDQD-TVQRCGJNSA-N -1 0 241.331 2.038 50 0 BEAARM CC(C)SCc1cc(=O)[nH]c(=S)[nH]1 ZINC000031773411 167334683 /nfs/dbraw/zinc/33/46/83/167334683.db2.gz HSNBEGKWTRZLMM-UHFFFAOYSA-N -1 0 216.331 2.074 50 0 BEAARM CC(C)[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000064824 167436087 /nfs/dbraw/zinc/43/60/87/167436087.db2.gz LHNBRZQJEHYCGL-LLVKDONJSA-N -1 0 245.282 2.151 50 0 biogenic,in-vitro BEAARM CC(C)c1ccc(S(=O)(=O)[O-])cc1 ZINC000002018553 167610752 /nfs/dbraw/zinc/61/07/52/167610752.db2.gz CVLHGLWXLDOELD-UHFFFAOYSA-N -1 0 200.259 2.057 50 0 BEAARM COC(=O)c1n[nH]c2c1cccc2C(F)(F)F ZINC000498050830 411123215 /nfs/dbraw/zinc/12/32/15/411123215.db2.gz GEJLGIIAPUGJEN-UHFFFAOYSA-N -1 0 244.172 2.368 50 0 BEAARM CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)[O-] ZINC000238855698 167797781 /nfs/dbraw/zinc/79/77/81/167797781.db2.gz SRZRWQOXSICNOC-MWLCHTKSSA-N -1 0 238.287 2.016 50 0 BEAARM CC1=CC[C@H]([C@@]2(C)CC(C(=O)[O-])=NO2)CC1 ZINC000012416778 168121587 /nfs/dbraw/zinc/12/15/87/168121587.db2.gz BVSRPFFUJYAQCM-JOYOIKCWSA-N -1 0 223.272 2.352 50 0 BEAARM CCC(=O)N(C)c1ccc(Cl)cc1C(=O)[O-] ZINC000016623653 168212018 /nfs/dbraw/zinc/21/20/18/168212018.db2.gz ABWQOODUGVSMPK-UHFFFAOYSA-N -1 0 241.674 2.411 50 0 BEAARM CCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000013432409 168241697 /nfs/dbraw/zinc/24/16/97/168241697.db2.gz BXEQSCSUBKCNLP-UHFFFAOYSA-N -1 0 207.229 2.042 50 0 BEAARM CCN(C(=O)c1cccc(C)c1C)[C@H](C)C(=O)[O-] ZINC000659773889 411452605 /nfs/dbraw/zinc/45/26/05/411452605.db2.gz VHBUBDRPGYOZSQ-LLVKDONJSA-N -1 0 249.310 2.239 50 0 BEAARM CCOC(=O)C(C)=C([O-])c1ccccc1 ZINC000002043611 170245038 /nfs/dbraw/zinc/24/50/38/170245038.db2.gz RAWGHPXIJSCHFZ-VIFPVBQESA-N -1 0 206.241 2.069 50 0 BEAARM CCOC(=O)c1c[n-]c2c(C)c(C)ccc2c1=O ZINC000013398517 170290094 /nfs/dbraw/zinc/29/00/94/170290094.db2.gz OEUFVSIWKSCSMJ-UHFFFAOYSA-N -1 0 245.278 2.322 50 0 BEAARM CCOC(=O)c1cc(=O)c2cc(F)ccc2[n-]1 ZINC000006265609 170293205 /nfs/dbraw/zinc/29/32/05/170293205.db2.gz DEPYDFBYFAIPPA-UHFFFAOYSA-N -1 0 235.214 2.256 50 0 BEAARM CCOC(=O)c1cc2ccoc2c([O-])c1 ZINC000090470637 170293230 /nfs/dbraw/zinc/29/32/30/170293230.db2.gz YKCUOTYYKHCKBN-UHFFFAOYSA-N -1 0 206.197 2.315 50 0 BEAARM CCOC(=O)c1oc2ccccc2c1[O-] ZINC000005239718 170310328 /nfs/dbraw/zinc/31/03/28/170310328.db2.gz LZMVMKXUQAQMJQ-UHFFFAOYSA-N -1 0 206.197 2.315 50 0 BEAARM CCOc1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000000790608 170565987 /nfs/dbraw/zinc/56/59/87/170565987.db2.gz KZMBIHHDQRATDI-UHFFFAOYSA-N -1 0 205.213 2.265 50 0 BEAARM CC[C@@H](C(=O)[O-])n1nc(C(F)(F)F)cc1C ZINC000012357589 170671332 /nfs/dbraw/zinc/67/13/32/170671332.db2.gz XKONCEKLNBIPLF-LURJTMIESA-N -1 0 236.193 2.246 50 0 BEAARM CC[C@@H](C)n1ncc(Br)c1C(=O)[O-] ZINC000020313840 170810045 /nfs/dbraw/zinc/81/00/45/170810045.db2.gz RWRDPCXJERHWDR-RXMQYKEDSA-N -1 0 247.092 2.315 50 0 BEAARM CC[C@H](C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000002029109 171238351 /nfs/dbraw/zinc/23/83/51/171238351.db2.gz ACKKUPHTDWMADK-VIFPVBQESA-N -1 0 224.256 2.282 50 0 BEAARM CC[C@H](C(=O)[O-])n1cnc2ccccc21 ZINC000004992683 171238862 /nfs/dbraw/zinc/23/88/62/171238862.db2.gz ZEWUJLZQFQTWHE-SECBINFHSA-N -1 0 204.229 2.072 50 0 BEAARM CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002572712 171367331 /nfs/dbraw/zinc/36/73/31/171367331.db2.gz CMRZYYUYDQRCEO-DTWKUNHWSA-N -1 0 245.319 2.401 50 0 BEAARM CCn1c2ccccc2nc1CCC(=O)[O-] ZINC000004942657 172143466 /nfs/dbraw/zinc/14/34/66/172143466.db2.gz YVVWQGCFZIFAKT-UHFFFAOYSA-N -1 0 218.256 2.073 50 0 BEAARM CCn1c(Cl)nc2cc(C(=O)[O-])ccc21 ZINC000075260192 172146439 /nfs/dbraw/zinc/14/64/39/172146439.db2.gz ZLTXGPVKTYFNTL-UHFFFAOYSA-N -1 0 224.647 2.408 50 0 BEAARM CN(C(=O)C(C)(C)C)c1ccc(CC(=O)[O-])cc1 ZINC000020227116 172295045 /nfs/dbraw/zinc/29/50/45/172295045.db2.gz QBGULFJLGKZOTH-UHFFFAOYSA-N -1 0 249.310 2.323 50 0 BEAARM COc1cc(C)c([C@@H](O)CCC(=O)[O-])cc1C ZINC000004988672 174961111 /nfs/dbraw/zinc/96/11/11/174961111.db2.gz CVXGRCQCQPJBTG-NSHDSACASA-N -1 0 238.283 2.210 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])no2)c(F)c1 ZINC000022168098 175030660 /nfs/dbraw/zinc/03/06/60/175030660.db2.gz JJOTVYNDKCWFOX-UHFFFAOYSA-N -1 0 237.186 2.188 50 0 BEAARM COc1ccc(-c2cc(C(=O)[O-])on2)cc1 ZINC000000873831 175030697 /nfs/dbraw/zinc/03/06/97/175030697.db2.gz WEFMAZCRNQZFAY-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccc(-c2cccc(C(=O)[O-])n2)cc1 ZINC000035630176 175034460 /nfs/dbraw/zinc/03/44/60/175034460.db2.gz AKGIUKXMBSFGMN-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1ccc(CC(=S)C(=O)[O-])cc1 ZINC000100291970 175046698 /nfs/dbraw/zinc/04/66/98/175046698.db2.gz AMARKEGDFSBLFC-TWGQIWQCSA-N -1 0 210.254 2.051 50 0 biogenic BEAARM COc1ccc(C(F)(F)F)c(C(=O)[O-])c1 ZINC000072338570 175069819 /nfs/dbraw/zinc/06/98/19/175069819.db2.gz JMDOWBGYPYBWDC-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM COc1ccc(C)cc1C([O-])=CC(C)=O ZINC000101835711 175073370 /nfs/dbraw/zinc/07/33/70/175073370.db2.gz HPXPZDBDYRZEIQ-UHFFFAOYSA-N -1 0 206.241 2.165 50 0 BEAARM COc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000001592409 175174504 /nfs/dbraw/zinc/17/45/04/175174504.db2.gz NPLRGULPDAYSHW-UHFFFAOYSA-N -1 0 238.264 2.095 50 0 BEAARM COc1ccc2c(c1)CCC=C2CC(=O)[O-] ZINC000095670852 175207677 /nfs/dbraw/zinc/20/76/77/175207677.db2.gz LHJAOUWMVAESSA-UHFFFAOYSA-N -1 0 218.252 2.500 50 0 BEAARM COc1ccc2c(c1)C=C(C(=O)[O-])CCC2=O ZINC000005257368 175207935 /nfs/dbraw/zinc/20/79/35/175207935.db2.gz AOOJHCFSFZQGHA-UHFFFAOYSA-N -1 0 232.235 2.140 50 0 BEAARM COc1ccc2cc(CC(=O)[O-])ccc2c1 ZINC000002014886 175224415 /nfs/dbraw/zinc/22/44/15/175224415.db2.gz PHJFLPMVEFKEPL-UHFFFAOYSA-N -1 0 216.236 2.476 50 0 in-vitro BEAARM COc1ccc2occ(CC(=O)[O-])c2c1 ZINC000008028749 175232456 /nfs/dbraw/zinc/23/24/56/175232456.db2.gz QJECPZMQFHRYGC-UHFFFAOYSA-N -1 0 206.197 2.069 50 0 BEAARM COc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000002574412 175246850 /nfs/dbraw/zinc/24/68/50/175246850.db2.gz BBGASWPBIIQSLG-NEPJUHHUSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc(CCCCC(=O)[O-])c1 ZINC000014504291 175251226 /nfs/dbraw/zinc/25/12/26/175251226.db2.gz VGEQZPKAGFDVHW-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM COc1ccccc1-c1oncc1C(=O)[O-] ZINC000008700114 175312981 /nfs/dbraw/zinc/31/29/81/175312981.db2.gz ZNHBVBDXZHGKMW-UHFFFAOYSA-N -1 0 219.196 2.048 50 0 BEAARM COc1ccccc1C(=O)CC(C)(C)C(=O)[O-] ZINC000002378754 175316197 /nfs/dbraw/zinc/31/61/97/175316197.db2.gz HWGYGJQIPTWYPR-UHFFFAOYSA-N -1 0 236.267 2.379 50 0 BEAARM COc1ccccc1C(C)(C)CC(=O)[O-] ZINC000008575917 175320233 /nfs/dbraw/zinc/32/02/33/175320233.db2.gz ZHTMJDQKHVCZQX-UHFFFAOYSA-N -1 0 208.257 2.448 50 0 BEAARM COc1ccccc1[C@@]1(C)C[C@@H]1C(=O)[O-] ZINC000049813402 175349653 /nfs/dbraw/zinc/34/96/53/175349653.db2.gz PDMBEGHTKKCRMG-BXKDBHETSA-N -1 0 206.241 2.057 50 0 BEAARM COc1cccnc1-c1ccc(C(=O)[O-])cc1 ZINC000077031963 175356352 /nfs/dbraw/zinc/35/63/52/175356352.db2.gz UPPWELHQGMFLTO-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1nc2ccccc2cc1/C=C\C(=O)[O-] ZINC000006475978 175397101 /nfs/dbraw/zinc/39/71/01/175397101.db2.gz FYWLPUONLPZDPD-SREVYHEPSA-N -1 0 229.235 2.341 50 0 BEAARM CSc1nnc(-c2ccc(F)cc2)c(=O)[n-]1 ZINC000026443618 175590685 /nfs/dbraw/zinc/59/06/85/175590685.db2.gz QRNJEDAJSUWNBN-UHFFFAOYSA-N -1 0 237.259 2.105 50 0 BEAARM C[C@@H](C(=O)[O-])n1cc(Cl)c(C2CC2)n1 ZINC000012357644 175628250 /nfs/dbraw/zinc/62/82/50/175628250.db2.gz MYKJRLCUEXNZHW-YFKPBYRVSA-N -1 0 214.652 2.060 50 0 BEAARM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000004294618 176004879 /nfs/dbraw/zinc/00/48/79/176004879.db2.gz ZJLIHMQROANPCJ-MRVPVSSYSA-N -1 0 206.241 2.027 50 0 BEAARM C[C@@H](Oc1ccccc1Cl)C(=O)[O-] ZINC000000155410 176006123 /nfs/dbraw/zinc/00/61/23/176006123.db2.gz ZGWNXHRVUJVMCP-ZCFIWIBFSA-N -1 0 200.621 2.192 50 0 BEAARM C[C@@H](C1N=NC(=S)N1c1ccccc1)N(C)C ZINC000019229946 176039626 /nfs/dbraw/zinc/03/96/26/176039626.db2.gz OJONJYAZSYAMQP-VIFPVBQESA-N -1 0 248.355 2.179 50 0 BEAARM C[C@@H]1C(=O)CC[C@]1(C(=O)[O-])c1ccccc1 ZINC000000328224 176043646 /nfs/dbraw/zinc/04/36/46/176043646.db2.gz ZUJNZQBIDOPAKD-NOZJJQNGSA-N -1 0 218.252 2.008 50 0 BEAARM C[C@@H]1C[C@@H](NC(=O)CCC(=O)[O-])CC(C)(C)C1 ZINC000006523771 176373134 /nfs/dbraw/zinc/37/31/34/176373134.db2.gz GJSNJHNTLVPVTH-NXEZZACHSA-N -1 0 241.331 2.182 50 0 BEAARM C[C@@]1(c2cc(F)ccc2F)C[C@H]1C(=O)[O-] ZINC000049815101 176545787 /nfs/dbraw/zinc/54/57/87/176545787.db2.gz HVVFKZKWIQXEFG-KWQFWETISA-N -1 0 212.195 2.327 50 0 BEAARM C[C@H](CC(=O)[O-])C(=O)c1cccc(F)c1 ZINC000043369348 176601399 /nfs/dbraw/zinc/60/13/99/176601399.db2.gz CNNODSOXSKAMFH-SSDOTTSWSA-N -1 0 210.204 2.119 50 0 BEAARM C[C@H](Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000006249496 177023203 /nfs/dbraw/zinc/02/32/03/177023203.db2.gz DWFWGWPUJSFRQO-YFKPBYRVSA-N -1 0 218.611 2.331 50 0 BEAARM C[C@]1(CC(=O)[O-])CCC(=O)c2ccccc21 ZINC000071773779 177459634 /nfs/dbraw/zinc/45/96/34/177459634.db2.gz PYGWEMMATXQKCR-CYBMUJFWSA-N -1 0 218.252 2.396 50 0 BEAARM Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)[O-])c1 ZINC000049258548 487944853 /nfs/dbraw/zinc/94/48/53/487944853.db2.gz LFCZHHLXSJFIIM-QFYYESIMSA-N -1 0 240.324 2.025 50 0 BEAARM CC(C)(C)c1ccc2c(c1)OC[C@H](C(=O)[O-])O2 ZINC000000814471 322810126 /nfs/dbraw/zinc/81/01/26/322810126.db2.gz ZOUUZKCPXBOBDO-LLVKDONJSA-N -1 0 236.267 2.209 50 0 BEAARM Cc1nn(C)c(C(=O)[O-])c1-c1ccc(O)c(C)c1 ZINC000534646495 323156570 /nfs/dbraw/zinc/15/65/70/323156570.db2.gz PXMSJDBSXGPBEP-UHFFFAOYSA-N -1 0 246.266 2.108 50 0 BEAARM COc1cncc(-c2ccccc2C(=O)[O-])c1 ZINC000212572854 323172409 /nfs/dbraw/zinc/17/24/09/323172409.db2.gz UZVXBDVCDYSZIN-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM O=C([O-])[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000536948753 323950557 /nfs/dbraw/zinc/95/05/57/323950557.db2.gz QCHGODCFACBXAX-KXUCPTDWSA-N -1 0 208.644 2.310 50 0 BEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)c1ccccc1 ZINC000137607160 488182613 /nfs/dbraw/zinc/18/26/13/488182613.db2.gz NARRVCBNCJMXSQ-JQWIXIFHSA-N -1 0 249.310 2.112 50 0 BEAARM C/C=C(/C)C(=O)N[C@H](CCCCC)C(=O)[O-] ZINC000108462141 490141232 /nfs/dbraw/zinc/14/12/32/490141232.db2.gz AVPKRTJGAIGVDG-HYHWUIIZSA-N -1 0 227.304 2.102 50 0 BEAARM C[C@]1(O)C[C@H](c2ccccc2)S[C@@H]1C(=O)[O-] ZINC000004722283 491122225 /nfs/dbraw/zinc/12/22/25/491122225.db2.gz YMQZLPSBXBXWNW-FOGDFJRCSA-N -1 0 238.308 2.069 50 0 BEAARM CO[C@@H](C(=O)[O-])c1ccccc1Br ZINC000147861347 523337265 /nfs/dbraw/zinc/33/72/65/523337265.db2.gz CDVMGVHQRHYPBI-MRVPVSSYSA-N -1 0 245.072 2.221 50 0 BEAARM CC[C@@]1(C)C[C@@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000155894762 523724623 /nfs/dbraw/zinc/72/46/23/523724623.db2.gz MTVBEZNNVPJZFB-RNCFNFMXSA-N -1 0 241.331 2.182 50 0 BEAARM CCC[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719952446 566281970 /nfs/dbraw/zinc/28/19/70/566281970.db2.gz VXOPVJDKCMHJDQ-ZCFIWIBFSA-N -1 0 242.300 2.216 50 0 BEAARM CC(C)Sc1ccc(CC(=O)[O-])cc1N ZINC000675068071 566365809 /nfs/dbraw/zinc/36/58/09/566365809.db2.gz RPCMYGYOQSPDLJ-UHFFFAOYSA-N -1 0 225.313 2.396 50 0 BEAARM O=C([O-])COc1ccc2ccccc2c1 ZINC000002170233 574411839 /nfs/dbraw/zinc/41/18/39/574411839.db2.gz RZCJYMOBWVJQGV-UHFFFAOYSA-N -1 0 202.209 2.303 50 0 endogenous,in-man BEAARM CCC(=O)C=C([O-])c1ccccc1OC ZINC000020375611 582459385 /nfs/dbraw/zinc/45/93/85/582459385.db2.gz MUVYRUNOZKTLGO-UHFFFAOYSA-N -1 0 206.241 2.247 50 0 BEAARM CN(C)c1cccc2c1cccc2[S@](=O)[O-] ZINC000013526788 585023267 /nfs/dbraw/zinc/02/32/67/585023267.db2.gz LKTFTQORKJPRNB-UHFFFAOYSA-N -1 0 235.308 2.486 50 0 BEAARM O=Cc1scc(Br)c1C(=O)[O-] ZINC000071783555 585167542 /nfs/dbraw/zinc/16/75/42/585167542.db2.gz WTSYJPOLRDDKOV-UHFFFAOYSA-N -1 0 235.058 2.021 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1-c1cncnc1 ZINC000032597759 641403208 /nfs/dbraw/zinc/40/32/08/641403208.db2.gz SDJMLKZEWGKGJK-UHFFFAOYSA-N -1 0 214.224 2.150 50 0 BEAARM O=C([O-])/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000033573520 642227292 /nfs/dbraw/zinc/22/72/92/642227292.db2.gz JVQAFDBYQZAWNY-UPHRSURJSA-N -1 0 226.615 2.167 50 0 BEAARM O=C([O-])/C=C\c1c(Cl)nc2sccn12 ZINC000033626785 642270336 /nfs/dbraw/zinc/27/03/36/642270336.db2.gz ZBYRHXXVGNUDRH-UPHRSURJSA-N -1 0 228.660 2.147 50 0 BEAARM Cc1ccc(-c2nsc(C(=O)[O-])n2)cc1 ZINC000074076111 644171444 /nfs/dbraw/zinc/17/14/44/644171444.db2.gz OWNUEMIYEVKKIW-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM O=C([O-])[C@@H]1CCCN1Cc1cc(Cl)cs1 ZINC000086334769 644461906 /nfs/dbraw/zinc/46/19/06/644461906.db2.gz ZXRKWDKTVSRPIM-VIFPVBQESA-N -1 0 245.731 2.451 50 0 BEAARM CCN(C(=O)OC(C)(C)C)[C@@H](C)CC(=O)[O-] ZINC000061178387 712283863 /nfs/dbraw/zinc/28/38/63/712283863.db2.gz IUUKGOAOKYNXBM-QMMMGPOBSA-N -1 0 231.292 2.107 50 0 BEAARM CC(C)CO[C@H](C)C(=O)[N-]Oc1ccccc1 ZINC000585109982 1168621005 /nfs/dbraw/zinc/62/10/05/1168621005.db2.gz AHKMPYOBOCBJDW-LLVKDONJSA-N -1 0 237.299 2.158 50 0 BEAARM Cc1cc(C)n(-c2cc(C(=O)[O-])ccc2F)n1 ZINC000006681882 177919627 /nfs/dbraw/zinc/91/96/27/177919627.db2.gz JOBXEHUVOYPOLN-UHFFFAOYSA-N -1 0 234.230 2.326 50 0 BEAARM Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)[O-] ZINC000049831269 177920642 /nfs/dbraw/zinc/92/06/42/177920642.db2.gz QMVGZGWXCPHJFW-UHFFFAOYSA-N -1 0 243.262 2.153 50 0 BEAARM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000082164566 168324266 /nfs/dbraw/zinc/32/42/66/168324266.db2.gz MAGZMMZGWAGCSJ-UHFFFAOYSA-N -1 0 245.319 2.402 50 0 BEAARM Cc1cc(Cl)nc(Cl)c1C(=O)[O-] ZINC000000039048 178071397 /nfs/dbraw/zinc/07/13/97/178071397.db2.gz QOSNTWMXACGOMD-UHFFFAOYSA-N -1 0 206.028 2.395 50 0 BEAARM Cc1[nH]c2ccc(C)cc2c1CC(=O)[O-] ZINC000000611342 259300810 /nfs/dbraw/zinc/30/08/10/259300810.db2.gz TYNHPLJFWKDNTJ-UHFFFAOYSA-N -1 0 203.241 2.412 50 0 BEAARM Cc1cc2c(n1CCC(=O)[O-])CC(C)(C)CC2=O ZINC000002582293 178293331 /nfs/dbraw/zinc/29/33/31/178293331.db2.gz AFJKVVMBEWFPEH-UHFFFAOYSA-N -1 0 249.310 2.426 50 0 BEAARM Cc1ccc(-c2nnc(CCC(=O)[O-])o2)cc1 ZINC000004218615 178339350 /nfs/dbraw/zinc/33/93/50/178339350.db2.gz IUZLHKJZIFDECJ-UHFFFAOYSA-N -1 0 232.239 2.062 50 0 BEAARM Cc1ccc(-c2nsc(C(=O)[O-])c2N)cc1 ZINC000033268117 178345257 /nfs/dbraw/zinc/34/52/57/178345257.db2.gz GNESTTPDUMPMDW-UHFFFAOYSA-N -1 0 234.280 2.399 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC000000100922 342674338 /nfs/dbraw/zinc/67/43/38/342674338.db2.gz ZHXFWLHEVUOFRR-QMMMGPOBSA-N -1 0 239.246 2.265 50 0 BEAARM O=C([O-])c1sccc1Br ZINC000000107789 342674578 /nfs/dbraw/zinc/67/45/78/342674578.db2.gz VQQLWBUTTMNMFT-UHFFFAOYSA-N -1 0 207.048 2.209 50 0 BEAARM O=C([O-])[C@@H](c1ccccc1)n1cccc1 ZINC000000111687 342674975 /nfs/dbraw/zinc/67/49/75/342674975.db2.gz FNRJAIIHCKGTCV-LLVKDONJSA-N -1 0 201.225 2.162 50 0 BEAARM O=C([O-])c1ccccc1Br ZINC000000164706 342678695 /nfs/dbraw/zinc/67/86/95/342678695.db2.gz XRXMNWGCKISMOH-UHFFFAOYSA-N -1 0 201.019 2.147 50 0 in-vitro BEAARM CC(C)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000198026 342680118 /nfs/dbraw/zinc/68/01/18/342680118.db2.gz DIVQVOIDVFIFAP-NSHDSACASA-N -1 0 247.294 2.248 50 0 BEAARM O=C([O-])[C@@H]1CCC(=O)C[C@@H]1Cc1ccccc1 ZINC000000267947 342681850 /nfs/dbraw/zinc/68/18/50/342681850.db2.gz LCVCSJWXLZGDMI-WCQYABFASA-N -1 0 232.279 2.299 50 0 BEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 ZINC000000276481 342682182 /nfs/dbraw/zinc/68/21/82/342682182.db2.gz XKSLIJHVJSMXPT-NEPJUHHUSA-N -1 0 245.278 2.292 50 0 BEAARM CO[C@@H](CC(=O)[O-])c1nc2ccccc2s1 ZINC000000529317 342689438 /nfs/dbraw/zinc/68/94/38/342689438.db2.gz PWLPZAGOMVPORD-QMMMGPOBSA-N -1 0 237.280 2.459 50 0 BEAARM CCOc1cc(C=O)c(Br)cc1[O-] ZINC000000449054 342687839 /nfs/dbraw/zinc/68/78/39/342687839.db2.gz LCSRDLZFAXUFGW-UHFFFAOYSA-N -1 0 245.072 2.366 50 0 BEAARM O=C([O-])[C@@H]1CC(=O)CC[C@H]1Cc1ccccc1 ZINC000000053536 342671741 /nfs/dbraw/zinc/67/17/41/342671741.db2.gz RPYASTUWLRHTAX-WCQYABFASA-N -1 0 232.279 2.299 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)cc2)on1 ZINC000000818990 342693322 /nfs/dbraw/zinc/69/33/22/342693322.db2.gz OFWUBERMKPVMCT-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM CC(C)(C)OC(=O)Nc1cccnc1C(=O)[O-] ZINC000001420757 342700460 /nfs/dbraw/zinc/70/04/60/342700460.db2.gz SEMXBDMLULHKBL-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM Nc1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000001513056 342702197 /nfs/dbraw/zinc/70/21/97/342702197.db2.gz YIQOEBGLMQXPHZ-UHFFFAOYSA-N -1 0 205.257 2.165 50 0 BEAARM Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000001557455 342702925 /nfs/dbraw/zinc/70/29/25/342702925.db2.gz YABCPNYCFFUVNM-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM COc1c(C)cc(C(=O)CCC(=O)[O-])cc1C ZINC000002378625 342719427 /nfs/dbraw/zinc/71/94/27/342719427.db2.gz UXBGNNIUWXVYLX-UHFFFAOYSA-N -1 0 236.267 2.360 50 0 BEAARM CCCCOc1ccc(CC(=O)[O-])cc1 ZINC000002022916 342714676 /nfs/dbraw/zinc/71/46/76/342714676.db2.gz KLJMYYFCWBVKEE-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 biogenic BEAARM C[C@@](O)(C(=O)[O-])c1cc2ccccc2s1 ZINC000004088375 342742018 /nfs/dbraw/zinc/74/20/18/342742018.db2.gz MEKMIZIZABFUNJ-NSHDSACASA-N -1 0 222.265 2.193 50 0 BEAARM C[C@@H](Nc1nc2ccccc2s1)C(=O)[O-] ZINC000004218365 342744634 /nfs/dbraw/zinc/74/46/34/342744634.db2.gz UCKLRJLHKVCNAU-ZCFIWIBFSA-N -1 0 222.269 2.181 50 0 BEAARM O=C([O-])[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000004294526 342746225 /nfs/dbraw/zinc/74/62/25/342746225.db2.gz KIWWDOKNJZYHSY-QMMMGPOBSA-N -1 0 243.621 2.057 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2F)no1 ZINC000004294516 342746283 /nfs/dbraw/zinc/74/62/83/342746283.db2.gz BNNODLZYXWQEES-UHFFFAOYSA-N -1 0 207.160 2.179 50 0 BEAARM Nc1ccc(-c2ccc(C(=O)[O-])s2)cn1 ZINC000002458589 342720910 /nfs/dbraw/zinc/72/09/10/342720910.db2.gz LIUNTKAXHWHUDL-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM O=C([O-])c1ccnc(N2CCCCCC2)c1 ZINC000002527396 342722678 /nfs/dbraw/zinc/72/26/78/342722678.db2.gz UYWSWXXMUJAYFS-UHFFFAOYSA-N -1 0 220.272 2.160 50 0 BEAARM CC(C)(C)OC(=O)N1CCC(=CC(=O)[O-])CC1 ZINC000002527210 342722734 /nfs/dbraw/zinc/72/27/34/342722734.db2.gz PICPNXSVAVWVIC-UHFFFAOYSA-N -1 0 241.287 2.028 50 0 BEAARM COc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000002528359 342722932 /nfs/dbraw/zinc/72/29/32/342722932.db2.gz QWRIRBUKLBWVNF-UHFFFAOYSA-N -1 0 220.146 2.412 50 0 BEAARM CC(C)(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560853 342724209 /nfs/dbraw/zinc/72/42/09/342724209.db2.gz PUQVQDMFCAGQQB-QMMMGPOBSA-N -1 0 245.319 2.401 50 0 BEAARM CCCC(CCC)[C@H](C(=O)[O-])C(=O)OCC ZINC000002570354 342724847 /nfs/dbraw/zinc/72/48/47/342724847.db2.gz SMGMZCACYMLWFD-SNVBAGLBSA-N -1 0 230.304 2.467 50 0 BEAARM O=C([O-])c1ccc(O)c(C(F)(F)F)c1 ZINC000002572877 342725002 /nfs/dbraw/zinc/72/50/02/342725002.db2.gz DPVRVZQEDJVWLS-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM O=C([O-])c1cc(F)cc(Br)c1 ZINC000002574889 342725344 /nfs/dbraw/zinc/72/53/44/342725344.db2.gz KLSLJMGWUPAQGZ-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM CCOc1ccc(C(=O)[O-])c(F)c1F ZINC000002579266 342725550 /nfs/dbraw/zinc/72/55/50/342725550.db2.gz KMFHBAZUQFJVKK-UHFFFAOYSA-N -1 0 202.156 2.062 50 0 BEAARM CC(C)(C)OC(=O)Nc1ccncc1C(=O)[O-] ZINC000002585779 342726070 /nfs/dbraw/zinc/72/60/70/342726070.db2.gz FRZDXLXQZVISAQ-UHFFFAOYSA-N -1 0 238.243 2.127 50 0 BEAARM CSc1ncc(C(=O)[O-])n1-c1ccccc1 ZINC000003888357 342739084 /nfs/dbraw/zinc/73/90/84/342739084.db2.gz NYRLRKPYIWJTTG-UHFFFAOYSA-N -1 0 234.280 2.292 50 0 BEAARM CCOc1c(Cl)cc(C(=O)[O-])cc1OC ZINC000003887546 342739227 /nfs/dbraw/zinc/73/92/27/342739227.db2.gz JVMOVETVCDRYIV-UHFFFAOYSA-N -1 0 230.647 2.446 50 0 BEAARM O=C([O-])c1c[nH]nc1-c1ccccc1Cl ZINC000008700066 342802508 /nfs/dbraw/zinc/80/25/08/342802508.db2.gz HXXALKIHVJHCQL-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM Cc1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1 ZINC000009418769 342815140 /nfs/dbraw/zinc/81/51/40/342815140.db2.gz FFDAITOHNIGCJI-UHFFFAOYSA-N -1 0 243.241 2.137 50 0 BEAARM O=C([O-])c1cccn1-c1ccc(F)cc1 ZINC000012404847 342851598 /nfs/dbraw/zinc/85/15/98/342851598.db2.gz YHOQBALKYXZCAA-UHFFFAOYSA-N -1 0 205.188 2.315 50 0 BEAARM Nc1ccc(Cl)c(Cl)c1C(=O)[O-] ZINC000013542850 342867653 /nfs/dbraw/zinc/86/76/53/342867653.db2.gz SRTBBLNAKMLZTN-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM O=C([O-])c1csc(/C=C\c2cccnc2)n1 ZINC000096403894 398317506 /nfs/dbraw/zinc/31/75/06/398317506.db2.gz JDPGQAZMJDWMSL-ARJAWSKDSA-N -1 0 232.264 2.407 50 0 BEAARM O=C([O-])c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC000015444607 342896725 /nfs/dbraw/zinc/89/67/25/342896725.db2.gz MNUJUQSXOGLRNS-GFCCVEGCSA-N -1 0 246.266 2.434 50 0 BEAARM Cn1ccnc1SCc1cccc(C(=O)[O-])c1 ZINC000019485330 342949644 /nfs/dbraw/zinc/94/96/44/342949644.db2.gz VHYNJMKIKLDOAF-UHFFFAOYSA-N -1 0 248.307 2.411 50 0 BEAARM O=C([O-])c1cccc(COC[C@@H]2CCCO2)c1 ZINC000019507331 342949959 /nfs/dbraw/zinc/94/99/59/342949959.db2.gz 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2.426 50 0 BEAARM CCOc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000026420196 343104925 /nfs/dbraw/zinc/10/49/25/343104925.db2.gz ATLYDGJDRLAJCV-UHFFFAOYSA-N -1 0 246.266 2.184 50 0 BEAARM CC(C)=CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043589626 343230147 /nfs/dbraw/zinc/23/01/47/343230147.db2.gz HSAYWJCRLAYJKW-LLVKDONJSA-N -1 0 239.315 2.056 50 0 BEAARM CC(C)(C)n1nc(C2CC2)cc1C(=O)[O-] ZINC000032628265 343238887 /nfs/dbraw/zinc/23/88/87/343238887.db2.gz JXKYWJDTUICMIF-UHFFFAOYSA-N -1 0 208.261 2.214 50 0 BEAARM O=C([O-])c1ccc2c(c1)nc1n2CCCCC1 ZINC000032918748 343244570 /nfs/dbraw/zinc/24/45/70/343244570.db2.gz ONJSWNJRJCCHLA-UHFFFAOYSA-N -1 0 230.267 2.461 50 0 BEAARM O=C([O-])[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000034070206 343264119 /nfs/dbraw/zinc/26/41/19/343264119.db2.gz CGJLAUQMHSAAMY-MRVPVSSYSA-N -1 0 215.252 2.357 50 0 BEAARM O=C([O-])c1cc(Cl)nc(C(F)(F)F)c1 ZINC000034409211 343270251 /nfs/dbraw/zinc/27/02/51/343270251.db2.gz OMXMPMNUSMLQQS-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM 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O=C([O-])c1nccnc1Sc1ccccc1 ZINC000044549095 343507003 /nfs/dbraw/zinc/50/70/03/343507003.db2.gz KLNMOOQFTYGDPO-UHFFFAOYSA-N -1 0 232.264 2.326 50 0 BEAARM Cc1oc(-c2cccc(F)c2)nc1CC(=O)[O-] ZINC000049632721 343604651 /nfs/dbraw/zinc/60/46/51/343604651.db2.gz JDVFTDGZEPNMNT-UHFFFAOYSA-N -1 0 235.214 2.416 50 0 BEAARM O=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000049628929 343604709 /nfs/dbraw/zinc/60/47/09/343604709.db2.gz MWENGLGTBLDDKQ-UHFFFAOYSA-N -1 0 241.246 2.382 50 0 BEAARM CC(=O)[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000039255328 346991608 /nfs/dbraw/zinc/99/16/08/346991608.db2.gz IOWZXZAFYLFVTA-LLVKDONJSA-N -1 0 206.241 2.224 50 0 BEAARM CO[C@@H](C(=O)[O-])c1ccc2occc2c1 ZINC000107199162 344120859 /nfs/dbraw/zinc/12/08/59/344120859.db2.gz VABYUELQWVZEKH-SNVBAGLBSA-N -1 0 206.197 2.205 50 0 BEAARM CCCCC[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000004784109 344237898 /nfs/dbraw/zinc/23/78/98/344237898.db2.gz MOXYXJVRZZUCFY-JTQLQIEISA-N -1 0 229.320 2.326 50 0 BEAARM O=C([O-])[C@H](Sc1ncccn1)c1ccccc1 ZINC000000128057 344557276 /nfs/dbraw/zinc/55/72/76/344557276.db2.gz YOENNECCQWXNRA-SNVBAGLBSA-N -1 0 246.291 2.395 50 0 BEAARM CCCc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000150698 344569591 /nfs/dbraw/zinc/56/95/91/344569591.db2.gz GLRHIWBWLCLOKE-CMDGGOBGSA-N -1 0 233.267 2.218 50 0 BEAARM COc1cccc2nc(C(=O)[O-])sc21 ZINC000238339193 345025652 /nfs/dbraw/zinc/02/56/52/345025652.db2.gz ABHVQAJEUOEYPK-UHFFFAOYSA-N -1 0 209.226 2.003 50 0 BEAARM Cc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000001628166 178827397 /nfs/dbraw/zinc/82/73/97/178827397.db2.gz ZTDJDNLZVGJTBW-UHFFFAOYSA-N -1 0 222.265 2.395 50 0 BEAARM O=C([O-])Cc1c(Cl)nccc1C(F)(F)F ZINC000238669185 345105185 /nfs/dbraw/zinc/10/51/85/345105185.db2.gz JTNVBMMAMFXUKD-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM Cc1nc(CC(F)(F)F)sc1CC(=O)[O-] ZINC000082761240 345726714 /nfs/dbraw/zinc/72/67/14/345726714.db2.gz PQPLHIOSJNHXGJ-UHFFFAOYSA-N -1 0 239.218 2.183 50 0 BEAARM O=C([O-])c1ccc(F)cc1OCC1CC1 ZINC000236458420 346242053 /nfs/dbraw/zinc/24/20/53/346242053.db2.gz BTYZICYEPUKXHI-UHFFFAOYSA-N -1 0 210.204 2.313 50 0 BEAARM C/C(=C\C(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000005516745 346246256 /nfs/dbraw/zinc/24/62/56/346246256.db2.gz PUDANMAQAHENDL-VOTSOKGWSA-N -1 0 239.658 2.309 50 0 BEAARM Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000011890171 179020673 /nfs/dbraw/zinc/02/06/73/179020673.db2.gz NXVNYFBAKNMHHU-LBPRGKRZSA-N -1 0 249.310 2.224 50 0 BEAARM CCCc1cc(=O)c2ccc([O-])cc2o1 ZINC000000133002 346400909 /nfs/dbraw/zinc/40/09/09/346400909.db2.gz KILWUYVTGXMRNS-UHFFFAOYSA-N -1 0 204.225 2.451 50 0 BEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1 ZINC000000463103 346419476 /nfs/dbraw/zinc/41/94/76/346419476.db2.gz YMHUFHFMJABSQX-VIFPVBQESA-N -1 0 221.256 2.126 50 0 BEAARM Cc1cccc(Nc2nc(C(=O)[O-])cs2)n1 ZINC000061957857 179158397 /nfs/dbraw/zinc/15/83/97/179158397.db2.gz JKIGWKNHNXUPOG-UHFFFAOYSA-N -1 0 235.268 2.288 50 0 BEAARM Cc1cccc([C@@H](NC(=O)C2CCC2)C(=O)[O-])c1 ZINC000084568049 179187230 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/nfs/dbraw/zinc/43/94/29/187439429.db2.gz HTSCYFVXSZXFFV-UHFFFAOYSA-N -1 0 230.061 2.038 50 0 BEAARM Cc1ncc(C(=O)[O-])c(C)c1Br ZINC000003881099 180135872 /nfs/dbraw/zinc/13/58/72/180135872.db2.gz QQGXFWWAZULHIZ-UHFFFAOYSA-N -1 0 230.061 2.159 50 0 BEAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])CC1(C)C ZINC000601014772 350329750 /nfs/dbraw/zinc/32/97/50/350329750.db2.gz GMQVSLJAKDZSFE-GFCCVEGCSA-N -1 0 243.303 2.012 50 0 BEAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1C ZINC000039225906 180327232 /nfs/dbraw/zinc/32/72/32/180327232.db2.gz ZBADHEIPBRJUFQ-UHFFFAOYSA-N -1 0 230.267 2.496 50 0 BEAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[O-] ZINC000021948255 180329370 /nfs/dbraw/zinc/32/93/70/180329370.db2.gz TYGSEAARXZYDNY-UHFFFAOYSA-N -1 0 248.257 2.255 50 0 BEAARM Cc1nn(C)c2[n-]c(C(F)(F)F)cc(=O)c12 ZINC000013466441 180363928 /nfs/dbraw/zinc/36/39/28/180363928.db2.gz DRGWWZYVDZMWIQ-UHFFFAOYSA-N -1 0 231.177 2.001 50 0 BEAARM Cc1nn(Cc2ccc(C(=O)[O-])o2)c(C)c1C ZINC000034925030 180391501 /nfs/dbraw/zinc/39/15/01/180391501.db2.gz RFVDUUFUZZHIBX-UHFFFAOYSA-N -1 0 234.255 2.148 50 0 BEAARM C/C=C(\Cl)CSc1ncc(OC)c(=O)[n-]1 ZINC000005297358 191122194 /nfs/dbraw/zinc/12/21/94/191122194.db2.gz ZUTKQDVOKSGWMJ-UTCJRWHESA-N -1 0 246.719 2.426 50 0 BEAARM C/C(=C/c1ccccc1)[C@@H](C(=O)[O-])C(N)=S ZINC000211051703 350982344 /nfs/dbraw/zinc/98/23/44/350982344.db2.gz YPRDDBBOUCUUNA-GQYWMQPJSA-N -1 0 235.308 2.077 50 0 BEAARM Cc1cc2[n-]c(=S)n(CC(C)C)c(=O)c2[nH]1 ZINC000101375076 187536466 /nfs/dbraw/zinc/53/64/66/187536466.db2.gz XKLAZMFIBDURPD-UHFFFAOYSA-N -1 0 237.328 2.352 50 0 BEAARM CC(C)(COCc1ccccc1)C(=O)[O-] ZINC000034068406 187766673 /nfs/dbraw/zinc/76/66/73/187766673.db2.gz LGPTVHABQNQBSK-UHFFFAOYSA-N -1 0 208.257 2.314 50 0 BEAARM COc1ccc(Cl)c(CC(=O)[O-])c1F ZINC000038529662 187773545 /nfs/dbraw/zinc/77/35/45/187773545.db2.gz SZVJYTRCVDHYHX-UHFFFAOYSA-N -1 0 218.611 2.115 50 0 BEAARM O=C([O-])[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC000224655382 323946710 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NNLLNZASHRANFR-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM O=C([O-])[C@H]1Cc2ccc(Br)cc2C1 ZINC000094967036 188145452 /nfs/dbraw/zinc/14/54/52/188145452.db2.gz OMJPTHPPEYUYLP-QMMMGPOBSA-N -1 0 241.084 2.249 50 0 BEAARM Cc1cccc(CSc2nncc(=O)[n-]2)c1 ZINC000008670162 188161308 /nfs/dbraw/zinc/16/13/08/188161308.db2.gz CQPVMRYRSRDNHE-UHFFFAOYSA-N -1 0 233.296 2.178 50 0 BEAARM O=C1CC(=O)CC(c2cc(F)cc(F)c2)C1 ZINC000100014306 188149724 /nfs/dbraw/zinc/14/97/24/188149724.db2.gz IPXMHIXARNRVBG-UHFFFAOYSA-N -1 0 224.206 2.371 50 0 BEAARM CC(=O)[C@H](CCC(=O)[O-])c1ccccc1 ZINC000039255329 188464121 /nfs/dbraw/zinc/46/41/21/188464121.db2.gz IOWZXZAFYLFVTA-NSHDSACASA-N -1 0 206.241 2.224 50 0 BEAARM CCc1ccccc1NC(=O)CCC(=O)[O-] ZINC000000287753 188453565 /nfs/dbraw/zinc/45/35/65/188453565.db2.gz JZILYRXPMRCUTI-UHFFFAOYSA-N -1 0 221.256 2.052 50 0 BEAARM COc1cc(C(=O)[O-])c(F)cc1Br ZINC000145580677 356481719 /nfs/dbraw/zinc/48/17/19/356481719.db2.gz FVWAPKQBDVSQKV-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM CCCc1onc(-c2cccn2C)c1C(=O)[O-] ZINC000675057829 538480942 /nfs/dbraw/zinc/48/09/42/538480942.db2.gz QIAAJNYFLUTKOU-UHFFFAOYSA-N -1 0 234.255 2.331 50 0 BEAARM Cc1cc2cccnc2c([S@](=O)[O-])c1 ZINC000675060233 538485818 /nfs/dbraw/zinc/48/58/18/538485818.db2.gz UXNCQGILYWMTMS-UHFFFAOYSA-N -1 0 207.254 2.124 50 0 BEAARM CCCSc1ccc(CC(=O)[O-])cc1N ZINC000675067211 538493387 /nfs/dbraw/zinc/49/33/87/538493387.db2.gz BTLNGVVTVYRWEL-UHFFFAOYSA-N -1 0 225.313 2.398 50 0 BEAARM CCSc1ccc(CC(=O)[O-])cc1N ZINC000675067213 538493404 /nfs/dbraw/zinc/49/34/04/538493404.db2.gz BTZKDXDEQNJQIL-UHFFFAOYSA-N -1 0 211.286 2.008 50 0 BEAARM CC(=O)c1cccc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675069282 538498105 /nfs/dbraw/zinc/49/81/05/538498105.db2.gz FAQZAYKZHLKQSU-UHFFFAOYSA-N -1 0 242.234 2.044 50 0 BEAARM O=C(Oc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000000363810 358730923 /nfs/dbraw/zinc/73/09/23/358730923.db2.gz AZBGAMJVNYEBLF-UHFFFAOYSA-N -1 0 239.234 2.177 50 0 BEAARM NC(=O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065339755 181302419 /nfs/dbraw/zinc/30/24/19/181302419.db2.gz PIFZQEAEPZKVIE-UHFFFAOYSA-N -1 0 241.246 2.151 50 0 BEAARM O=C([O-])Cc1cc(C(F)(F)F)cnc1Cl ZINC000238679711 361177097 /nfs/dbraw/zinc/17/70/97/361177097.db2.gz PORNOPRTKPRZFT-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(C)cc(F)c1 ZINC000162713617 361361178 /nfs/dbraw/zinc/36/11/78/361361178.db2.gz UTARUXAEKKTEGS-UHFFFAOYSA-N -1 0 224.231 2.270 50 0 BEAARM CC(C)c1ccccc1N1C[C@@H](C(=O)[O-])C[C@H]1O ZINC000101322687 368383226 /nfs/dbraw/zinc/38/32/26/368383226.db2.gz WUHLHTXBWLRYKD-GXFFZTMASA-N -1 0 249.310 2.039 50 0 BEAARM Cc1c(O)cc(Br)cc1C(=O)[O-] ZINC000146476702 368395435 /nfs/dbraw/zinc/39/54/35/368395435.db2.gz YYQFFQBAZQFKQK-UHFFFAOYSA-N -1 0 231.045 2.161 50 0 BEAARM O=C([O-])C1CCC(C(=O)c2ccco2)CC1 ZINC000020479531 371287031 /nfs/dbraw/zinc/28/70/31/371287031.db2.gz WHUFVYMAQVDJJQ-UHFFFAOYSA-N -1 0 222.240 2.353 50 0 BEAARM Nc1c(Cl)c(F)cc(C(=O)[O-])c1Cl ZINC000002540119 181666695 /nfs/dbraw/zinc/66/66/95/181666695.db2.gz UUWRGHXQVQUWHR-UHFFFAOYSA-N -1 0 224.018 2.413 50 0 BEAARM Nc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000057353714 181694329 /nfs/dbraw/zinc/69/43/29/181694329.db2.gz PKDGUPGRSRORJZ-UHFFFAOYSA-N -1 0 203.197 2.227 50 0 BEAARM CONC(=O)Cc1coc2c1ccc(C)c2C ZINC000010224537 374283400 /nfs/dbraw/zinc/28/34/00/374283400.db2.gz RBEVTHPWGYGGAL-UHFFFAOYSA-N -1 0 233.267 2.270 50 0 BEAARM O=C([O-])/C=C/c1cc(F)c(F)cc1F ZINC000004290168 182411712 /nfs/dbraw/zinc/41/17/12/182411712.db2.gz KFVQEUPEGKJFCW-OWOJBTEDSA-N -1 0 202.131 2.202 50 0 BEAARM O=C([O-])C1(c2cc(F)cc(F)c2)CCC1 ZINC000049351238 182425204 /nfs/dbraw/zinc/42/52/04/182425204.db2.gz CPMKQTLHCVUBED-UHFFFAOYSA-N -1 0 212.195 2.471 50 0 BEAARM O=C([O-])C1(Nc2nccs2)CCCCC1 ZINC000041033017 182423624 /nfs/dbraw/zinc/42/36/24/182423624.db2.gz JTFCJUCBDZBABP-UHFFFAOYSA-N -1 0 226.301 2.343 50 0 BEAARM O=C([O-])CCNC(=O)c1ccc2sccc2c1 ZINC000097019340 182446964 /nfs/dbraw/zinc/44/69/64/182446964.db2.gz NULPOZQTQXDHFE-UHFFFAOYSA-N -1 0 249.291 2.106 50 0 BEAARM O=C([O-])CNc1ccc2c3c(cccc31)CC2 ZINC000004661620 182468525 /nfs/dbraw/zinc/46/85/25/182468525.db2.gz MKCYNNHVLHLGCZ-UHFFFAOYSA-N -1 0 227.263 2.435 50 0 BEAARM O=C([O-])CSc1nccn1-c1ccccc1 ZINC000001389983 182473329 /nfs/dbraw/zinc/47/33/29/182473329.db2.gz CARBXBJPIXMXOB-UHFFFAOYSA-N -1 0 234.280 2.049 50 0 BEAARM O=C([O-])Cc1c(Cl)c(F)nc(F)c1Cl ZINC000072284035 182487813 /nfs/dbraw/zinc/48/78/13/182487813.db2.gz SGLXACHKHUYVJQ-UHFFFAOYSA-N -1 0 242.008 2.294 50 0 BEAARM O=C([O-])Cc1csc(COc2ccccc2)n1 ZINC000005175351 182493649 /nfs/dbraw/zinc/49/36/49/182493649.db2.gz GUVDQXFZTNGQLX-UHFFFAOYSA-N -1 0 249.291 2.349 50 0 BEAARM O=C([O-])[C@@H](c1ccccc1)C(F)(F)F ZINC000008642422 182504997 /nfs/dbraw/zinc/50/49/97/182504997.db2.gz HQRSIMQXCAWAJB-SSDOTTSWSA-N -1 0 204.147 2.417 50 0 BEAARM O=C([O-])[C@@H]1C[C@@H]1c1ccnn1-c1ccccc1 ZINC000242687527 182521045 /nfs/dbraw/zinc/52/10/45/182521045.db2.gz ULKIXMQIWUVVKB-WDEREUQCSA-N -1 0 228.251 2.060 50 0 BEAARM O=C([O-])[C@H](c1ccccc1)n1cccc1 ZINC000000111684 182530688 /nfs/dbraw/zinc/53/06/88/182530688.db2.gz FNRJAIIHCKGTCV-NSHDSACASA-N -1 0 201.225 2.162 50 0 BEAARM O=C([O-])[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000020357887 182537786 /nfs/dbraw/zinc/53/77/86/182537786.db2.gz AOKQMHHJOMXSMH-QMMMGPOBSA-N -1 0 225.675 2.251 50 0 BEAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000170622808 182539447 /nfs/dbraw/zinc/53/94/47/182539447.db2.gz DVBHNIKZIQWIEO-ZJUUUORDSA-N -1 0 233.267 2.126 50 0 BEAARM O=C([O-])c1cc(-c2ccccc2)nc(Cl)n1 ZINC000033465282 182550961 /nfs/dbraw/zinc/55/09/61/182550961.db2.gz QGZBALBMKGGTRL-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM O=C([O-])c1cc(F)c(Br)c(F)c1 ZINC000034546780 182554599 /nfs/dbraw/zinc/55/45/99/182554599.db2.gz NLLRAEQVOZOSBB-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])c1ccc(C(=O)c2ccccc2)o1 ZINC000003117933 182564880 /nfs/dbraw/zinc/56/48/80/182564880.db2.gz BQGFSTMQCIGZFC-UHFFFAOYSA-N -1 0 216.192 2.209 50 0 BEAARM O=C([O-])c1ccc(NC(=O)C2CCC2)cc1 ZINC000006241700 182568039 /nfs/dbraw/zinc/56/80/39/182568039.db2.gz AQMTZERUYDGUNO-UHFFFAOYSA-N -1 0 219.240 2.123 50 0 BEAARM O=C([O-])c1ccc(OCc2cccnc2)cc1 ZINC000009239052 182570748 /nfs/dbraw/zinc/57/07/48/182570748.db2.gz WIYQURISXJRWLD-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])c1ccc(-c2ccc(CO)o2)cc1 ZINC000000858527 182561471 /nfs/dbraw/zinc/56/14/71/182561471.db2.gz BEZNEPQDECMJAN-UHFFFAOYSA-N -1 0 218.208 2.137 50 0 biogenic BEAARM O=C([O-])c1ccccc1C(=O)N1CCCCCC1 ZINC000012137488 182581617 /nfs/dbraw/zinc/58/16/17/182581617.db2.gz DYQGKIXLYNNGCT-UHFFFAOYSA-N -1 0 247.294 2.401 50 0 BEAARM O=C([O-])c1cccc(NC(=O)c2ccccn2)c1 ZINC000000171064 182577599 /nfs/dbraw/zinc/57/75/99/182577599.db2.gz CFQHNZSRMWNVCF-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000328579052 182597895 /nfs/dbraw/zinc/59/78/95/182597895.db2.gz LQDIWPUQRZBKBX-UHFFFAOYSA-N -1 0 244.250 2.314 50 0 BEAARM O=[S@@]([O-])c1ccc(C(F)(F)F)cc1 ZINC000034409320 182964971 /nfs/dbraw/zinc/96/49/71/182964971.db2.gz JIUIHDUXMVJNKD-UHFFFAOYSA-N -1 0 210.176 2.286 50 0 BEAARM O=c1[n-]n(-c2ccccc2)c(Cl)c1Cl ZINC000000401617 182981013 /nfs/dbraw/zinc/98/10/13/182981013.db2.gz XAVLKGMVZAXMTI-UHFFFAOYSA-N -1 0 229.066 2.472 50 0 BEAARM CCCCc1ccc(S(=O)(=O)[O-])cc1 ZINC000002012856 169022188 /nfs/dbraw/zinc/02/21/88/169022188.db2.gz JNVFIMNBBVDEPV-UHFFFAOYSA-N -1 0 214.286 2.276 50 0 BEAARM CCCCn1nc(C)c(C(=O)[O-])c1Cl ZINC000004200355 169038245 /nfs/dbraw/zinc/03/82/45/169038245.db2.gz VTLWIDDZVIOQSV-UHFFFAOYSA-N -1 0 216.668 2.343 50 0 BEAARM CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC000069551911 169043627 /nfs/dbraw/zinc/04/36/27/169043627.db2.gz HJFHLUQGWPTHMM-MRVPVSSYSA-N -1 0 231.292 2.107 50 0 BEAARM CCCN(CC(=O)[O-])C(=O)CC1=CCCCC1 ZINC000095948891 169095588 /nfs/dbraw/zinc/09/55/88/169095588.db2.gz GISLGSHLLXMCEM-UHFFFAOYSA-N -1 0 239.315 2.200 50 0 BEAARM CCCN(CC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000035347770 169118124 /nfs/dbraw/zinc/11/81/24/169118124.db2.gz KQFNMRFNBZSYTR-UHFFFAOYSA-N -1 0 235.283 2.257 50 0 BEAARM S=c1[n-]nc2ccc3ccccc3n21 ZINC000005594306 183316493 /nfs/dbraw/zinc/31/64/93/183316493.db2.gz GQJIGZUQXYCDJW-UHFFFAOYSA-N -1 0 201.254 2.171 50 0 BEAARM CCCOc1nc(C)cc(C)c1C(=O)[O-] ZINC000038010354 169328375 /nfs/dbraw/zinc/32/83/75/169328375.db2.gz RNJCHSODJRQYBT-UHFFFAOYSA-N -1 0 209.245 2.185 50 0 BEAARM CCC[C@@](C)(NC(=O)[C@H](C)C(C)C)C(=O)[O-] ZINC000069684965 169453149 /nfs/dbraw/zinc/45/31/49/169453149.db2.gz XWRXDKMAQUKABW-BXKDBHETSA-N -1 0 229.320 2.038 50 0 BEAARM O=C([O-])Cc1csc(-c2ccccc2)n1 ZINC000000083088 383823628 /nfs/dbraw/zinc/82/36/28/383823628.db2.gz LYHDWKGJPJRCTG-UHFFFAOYSA-N -1 0 219.265 2.437 50 0 BEAARM O=C([O-])c1ncc(C(F)(F)F)cc1Cl ZINC000000169473 383839714 /nfs/dbraw/zinc/83/97/14/383839714.db2.gz HXRMCZBDTDCCOP-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])CCC(=O)Nc1cccc(Cl)c1 ZINC000000196830 383843250 /nfs/dbraw/zinc/84/32/50/383843250.db2.gz FUYXHCXIVNUOJX-UHFFFAOYSA-N -1 0 227.647 2.143 50 0 BEAARM Cc1cc(C)n(Cc2cccc(C(=O)[O-])c2)n1 ZINC000000335382 383856106 /nfs/dbraw/zinc/85/61/06/383856106.db2.gz WWFUQDPIXVPKQB-UHFFFAOYSA-N -1 0 230.267 2.246 50 0 BEAARM Cc1cccc(C)c1NC(=O)CCCC(=O)[O-] ZINC000000372015 383859691 /nfs/dbraw/zinc/85/96/91/383859691.db2.gz KKGRORPLWTWVBN-UHFFFAOYSA-N -1 0 235.283 2.497 50 0 BEAARM O=C([O-])CCNc1nc2ccccc2s1 ZINC000000372401 383859927 /nfs/dbraw/zinc/85/99/27/383859927.db2.gz XIDIZOFBBGMQTL-UHFFFAOYSA-N -1 0 222.269 2.183 50 0 BEAARM CCCCOC(=O)c1ccccc1C(=O)[O-] ZINC000001586773 383908830 /nfs/dbraw/zinc/90/88/30/383908830.db2.gz YZBOVSFWWNVKRJ-UHFFFAOYSA-N -1 0 222.240 2.342 50 0 endogenous,in-man BEAARM O=C([O-])COc1ccc(F)cc1Br ZINC000001732220 383930222 /nfs/dbraw/zinc/93/02/22/383930222.db2.gz WWVZWZDNCWFYIM-UHFFFAOYSA-N -1 0 249.035 2.052 50 0 BEAARM O=C([O-])/C=C/c1ccc(F)c(F)c1F ZINC000002575078 383978204 /nfs/dbraw/zinc/97/82/04/383978204.db2.gz AYDLBRHSHLRVAH-DUXPYHPUSA-N -1 0 202.131 2.202 50 0 BEAARM CCC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002578582 383978982 /nfs/dbraw/zinc/97/89/82/383978982.db2.gz WTYLEXCGLNFFIN-MRVPVSSYSA-N -1 0 231.292 2.155 50 0 BEAARM CC(C)(C[C@@H](O)c1ccccc1)C(=O)[O-] ZINC000071773292 384000343 /nfs/dbraw/zinc/00/03/43/384000343.db2.gz RHYWHKTUITTYKV-SNVBAGLBSA-N -1 0 208.257 2.221 50 0 BEAARM O=C([O-])CCCCc1nc2ccccc2[nH]1 ZINC000002197546 383955684 /nfs/dbraw/zinc/95/56/84/383955684.db2.gz NVXHPONACTZBEP-UHFFFAOYSA-N -1 0 218.256 2.360 50 0 BEAARM CCC/C=C/c1c(C)nn(CC(=O)[O-])c1C ZINC000067919631 383959347 /nfs/dbraw/zinc/95/93/47/383959347.db2.gz YXYNPLTTWIJSKM-VOTSOKGWSA-N -1 0 222.288 2.398 50 0 BEAARM O=C([O-])c1c(F)cc(Br)cc1F ZINC000002506843 383966769 /nfs/dbraw/zinc/96/67/69/383966769.db2.gz IRHPJGPQWZEZRX-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000002534069 383971947 /nfs/dbraw/zinc/97/19/47/383971947.db2.gz RLWPMCOCDJKMEY-UHFFFAOYSA-N -1 0 223.615 2.332 50 0 BEAARM O=C([O-])CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002549600 383974218 /nfs/dbraw/zinc/97/42/18/383974218.db2.gz NSHHJMBUPYGXKS-UHFFFAOYSA-N -1 0 248.204 2.254 50 0 BEAARM CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004202557 384045527 /nfs/dbraw/zinc/04/55/27/384045527.db2.gz QJEQJDJFJWWURK-IUCAKERBSA-N -1 0 243.303 2.155 50 0 BEAARM CCc1ccc(OC)c(C(=O)CCC(=O)[O-])c1 ZINC000004943450 384091776 /nfs/dbraw/zinc/09/17/76/384091776.db2.gz FZOZVWFLPNIHSW-UHFFFAOYSA-N -1 0 236.267 2.305 50 0 BEAARM COc1c(C)c(C(=O)[O-])ccc1Br ZINC000114960454 384061242 /nfs/dbraw/zinc/06/12/42/384061242.db2.gz QHVOVMWZJFFSEV-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM O=C([O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000004532834 384066669 /nfs/dbraw/zinc/06/66/69/384066669.db2.gz ICGPMBQSXZEPSW-UHFFFAOYSA-N -1 0 241.246 2.436 50 0 BEAARM O=C([O-])CSCC(=O)c1ccc(Cl)cc1 ZINC000006321869 384151690 /nfs/dbraw/zinc/15/16/90/384151690.db2.gz JIYHIZUYCBNBNM-UHFFFAOYSA-N -1 0 244.699 2.341 50 0 BEAARM O=C([O-])c1ccc(Cl)nc1C(F)(F)F ZINC000040447924 384152476 /nfs/dbraw/zinc/15/24/76/384152476.db2.gz UDYRRHUXOXTWBD-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1 ZINC000005961487 384139992 /nfs/dbraw/zinc/13/99/92/384139992.db2.gz WTDGOGLHWOAHSL-MNOVXSKESA-N -1 0 237.324 2.092 50 0 BEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCCCCC1 ZINC000004691128 384171692 /nfs/dbraw/zinc/17/16/92/384171692.db2.gz XUHFDACVTNYHBB-UHFFFAOYSA-N -1 0 241.331 2.280 50 0 BEAARM CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000071790269 384180316 /nfs/dbraw/zinc/18/03/16/384180316.db2.gz UOXKOXPQCRDDHV-UHFFFAOYSA-N -1 0 241.243 2.003 50 0 BEAARM CCOc1c(F)cc(CCC(=O)[O-])cc1F ZINC000071867294 384184063 /nfs/dbraw/zinc/18/40/63/384184063.db2.gz HYZUKNOCIQODQM-UHFFFAOYSA-N -1 0 230.210 2.381 50 0 BEAARM O=C([O-])CCc1c(F)cccc1Cl ZINC000008019367 384190541 /nfs/dbraw/zinc/19/05/41/384190541.db2.gz IJIZOJZUZZTIDJ-UHFFFAOYSA-N -1 0 202.612 2.496 50 0 BEAARM O=C([O-])CC[C@H](O)c1ccc2c(c1)CCCC2 ZINC000009280477 384240273 /nfs/dbraw/zinc/24/02/73/384240273.db2.gz BYQPFMCNFLPFLS-ZDUSSCGKSA-N -1 0 234.295 2.464 50 0 BEAARM O=C([O-])[C@H]1CC[C@H](Cn2cccc2)CC1 ZINC000247341340 384225984 /nfs/dbraw/zinc/22/59/84/384225984.db2.gz AOWZYXIAQXELRD-XYPYZODXSA-N -1 0 207.273 2.379 50 0 BEAARM CCCn1cc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000074042858 384274087 /nfs/dbraw/zinc/27/40/87/384274087.db2.gz ZDRFYXGFSLMLRC-UHFFFAOYSA-N -1 0 222.166 2.010 50 0 BEAARM O=C([O-])C1=NO[C@H](c2ccc(Cl)cc2)C1 ZINC000012398974 384316765 /nfs/dbraw/zinc/31/67/65/384316765.db2.gz LNDRHUYPIJWCEO-VIFPVBQESA-N -1 0 225.631 2.242 50 0 BEAARM CC[C@H](CC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000097017584 384285856 /nfs/dbraw/zinc/28/58/56/384285856.db2.gz ADROPJHACIRZQL-LLVKDONJSA-N -1 0 249.310 2.161 50 0 BEAARM O=C([O-])C[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000011628836 384292398 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C[C@H]1CCC[C@H](CC(=O)NCCCC(=O)[O-])C1 ZINC000195541420 388479489 /nfs/dbraw/zinc/47/94/89/388479489.db2.gz OGFVKKRSNMCBTB-QWRGUYRKSA-N -1 0 241.331 2.184 50 0 BEAARM O=C([O-])CCCCNC(=O)CCC1CCCC1 ZINC000070197726 388434722 /nfs/dbraw/zinc/43/47/22/388434722.db2.gz KHWVDEOLGPRXMW-UHFFFAOYSA-N -1 0 241.331 2.328 50 0 BEAARM Cc1oc(C(=O)[O-])cc1Br ZINC000085395002 388684524 /nfs/dbraw/zinc/68/45/24/388684524.db2.gz HFDIFDFYMUMTBN-UHFFFAOYSA-N -1 0 205.007 2.049 50 0 BEAARM O=C([O-])CCOc1ccc2c(c1)CCC2 ZINC000011799525 388709394 /nfs/dbraw/zinc/70/93/94/388709394.db2.gz GKFJCUQVJAVBCW-UHFFFAOYSA-N -1 0 206.241 2.029 50 0 BEAARM CC[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000096999803 388830354 /nfs/dbraw/zinc/83/03/54/388830354.db2.gz RVTJDQQQXQUJJM-LLVKDONJSA-N -1 0 249.310 2.146 50 0 BEAARM Cc1cc(-c2ccccc2C(=O)[O-])on1 ZINC000002219776 177686719 /nfs/dbraw/zinc/68/67/19/177686719.db2.gz DOXATDDQCQGUMV-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM O=C([O-])c1ccc(N2CCCCC2)cc1 ZINC000000239446 132313223 /nfs/dbraw/zinc/31/32/23/132313223.db2.gz DGJNUESQBVPXAY-UHFFFAOYSA-N -1 0 205.257 2.375 50 0 BEAARM C[C@@H]1CCCCN1c1cc(C(=O)[O-])ccn1 ZINC000019844570 132327600 /nfs/dbraw/zinc/32/76/00/132327600.db2.gz YTEJLAUMPOIDJV-SECBINFHSA-N -1 0 220.272 2.159 50 0 BEAARM O=C([O-])C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC000263004657 135326639 /nfs/dbraw/zinc/32/66/39/135326639.db2.gz ROVHIGBLXYHAKQ-LLVKDONJSA-N -1 0 239.315 2.032 50 0 BEAARM Cc1ccc2oc(N(C)C[C@H](C)C(=O)[O-])nc2c1 ZINC000263565318 135360444 /nfs/dbraw/zinc/36/04/44/135360444.db2.gz VOKWKGVMJBAFMX-VIFPVBQESA-N -1 0 248.282 2.293 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccccc1 ZINC000196913951 397927532 /nfs/dbraw/zinc/92/75/32/397927532.db2.gz DWNPZFIFAANQPB-JTQLQIEISA-N -1 0 236.267 2.231 50 0 BEAARM COc1ccc(F)cc1C(=O)CCCC(=O)[O-] ZINC000020470416 397965648 /nfs/dbraw/zinc/96/56/48/397965648.db2.gz PXRBYPXKWQJDGD-UHFFFAOYSA-N -1 0 240.230 2.272 50 0 BEAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC2)cc1 ZINC000492143174 398007744 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/nfs/dbraw/zinc/23/08/32/411230832.db2.gz RZWARJJZDJLAAD-STQMWFEESA-N -1 0 249.310 2.222 50 0 BEAARM CC1(C)C[C@@H](C(=O)[O-])c2ccccc2O1 ZINC000041214662 167975682 /nfs/dbraw/zinc/97/56/82/167975682.db2.gz BWVFHFVXJOLMIC-SECBINFHSA-N -1 0 206.241 2.416 50 0 BEAARM CCC(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000000560796 168258445 /nfs/dbraw/zinc/25/84/45/168258445.db2.gz IZMLOIAYSUBGRJ-UHFFFAOYSA-N -1 0 231.251 2.319 50 0 BEAARM CCC(C)(C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000097115104 168284770 /nfs/dbraw/zinc/28/47/70/168284770.db2.gz APDORERQQHAVQX-UHFFFAOYSA-N -1 0 239.271 2.238 50 0 BEAARM CCOC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000001599413 170197196 /nfs/dbraw/zinc/19/71/96/170197196.db2.gz DGCZHKABHPDNCC-UHFFFAOYSA-N -1 0 226.659 2.476 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(F)c(F)cc1F ZINC000002569265 170197395 /nfs/dbraw/zinc/19/73/95/170197395.db2.gz OTCJYVJORKMTHX-UHFFFAOYSA-N -1 0 246.184 2.240 50 0 BEAARM CCOC(=O)CSc1ccccc1C(=O)[O-] ZINC000003883304 170230070 /nfs/dbraw/zinc/23/00/70/170230070.db2.gz PIYOYRCYHLJDCQ-UHFFFAOYSA-N -1 0 240.280 2.040 50 0 BEAARM CCOC(=O)c1c(C)[n-]c2ccc(C)cc2c1=O ZINC000009223034 170287423 /nfs/dbraw/zinc/28/74/23/170287423.db2.gz PTSYURVCMYFJJC-UHFFFAOYSA-N -1 0 245.278 2.322 50 0 BEAARM CCO[N-]C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000032848322 170460867 /nfs/dbraw/zinc/46/08/67/170460867.db2.gz LWIDZJWEOINXAV-UHFFFAOYSA-N -1 0 241.262 2.051 50 0 BEAARM CCOc1cccc([C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000032010611 170586409 /nfs/dbraw/zinc/58/64/09/170586409.db2.gz IZKXGKMFQATOME-MNOVXSKESA-N -1 0 206.241 2.273 50 0 BEAARM CC[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000096999806 171247204 /nfs/dbraw/zinc/24/72/04/171247204.db2.gz RVTJDQQQXQUJJM-NSHDSACASA-N -1 0 249.310 2.146 50 0 BEAARM CC[C@H](C)[C@H](NC(=O)CCC1CCC1)C(=O)[O-] ZINC000190818833 171398008 /nfs/dbraw/zinc/39/80/08/171398008.db2.gz SKKBIUOFFJATOC-CABZTGNLSA-N -1 0 241.331 2.182 50 0 BEAARM CC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000035670945 171496466 /nfs/dbraw/zinc/49/64/66/171496466.db2.gz WXXLWKGBJPLOCH-NSHDSACASA-N -1 0 235.283 2.119 50 0 BEAARM CC[C@H](c1ccc(F)cc1)n1cc(C(=O)[O-])nn1 ZINC000012955893 171596877 /nfs/dbraw/zinc/59/68/77/171596877.db2.gz HYHHEXXYIPJDKD-LLVKDONJSA-N -1 0 249.245 2.115 50 0 BEAARM CCc1cc(C(=O)[O-])c2ccccc2n1 ZINC000001720855 171755707 /nfs/dbraw/zinc/75/57/07/171755707.db2.gz NURFUWUIIYWPKW-UHFFFAOYSA-N -1 0 201.225 2.495 50 0 BEAARM CCc1nc(=O)c2sc3ncccc3c2[n-]1 ZINC000021658542 172011271 /nfs/dbraw/zinc/01/12/71/172011271.db2.gz RXUHXVHTBZIMJU-UHFFFAOYSA-N -1 0 231.280 2.095 50 0 BEAARM COc1c(Br)scc1C(=O)[O-] ZINC000000160880 174919605 /nfs/dbraw/zinc/91/96/05/174919605.db2.gz OMNYIQIDPSRNES-UHFFFAOYSA-N -1 0 237.074 2.217 50 0 BEAARM COc1cc(C(=O)[O-])c(Br)cc1F ZINC000091252031 174949404 /nfs/dbraw/zinc/94/94/04/174949404.db2.gz HECJSMILDFGZPA-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM C[C@@H]1Cc2ccccc2N(CCC(=O)[O-])C1 ZINC000082441952 487629435 /nfs/dbraw/zinc/62/94/35/487629435.db2.gz WOUWSRBKIIEUMT-SNVBAGLBSA-N -1 0 219.284 2.160 50 0 BEAARM COc1ccc(-n2[n-]c(C)c(C)c2=O)cc1 ZINC000101498783 175044961 /nfs/dbraw/zinc/04/49/61/175044961.db2.gz KEQYIEQRKVKBCZ-UHFFFAOYSA-N -1 0 218.256 2.203 50 0 BEAARM COc1ccc(C(=O)[O-])cc1OCC1CC1 ZINC000036765389 175064776 /nfs/dbraw/zinc/06/47/76/175064776.db2.gz BRBRVEQKAPLESP-UHFFFAOYSA-N -1 0 222.240 2.182 50 0 BEAARM COc1ccc(CC(=O)[O-])cc1C(F)(F)F ZINC000038529716 175087026 /nfs/dbraw/zinc/08/70/26/175087026.db2.gz SVJBALZZRCDJHL-UHFFFAOYSA-N -1 0 234.173 2.341 50 0 BEAARM COc1ccc(CCC(=O)[O-])cc1Cl ZINC000002563938 175088698 /nfs/dbraw/zinc/08/86/98/175088698.db2.gz MAYOFTZUJPQKET-UHFFFAOYSA-N -1 0 214.648 2.366 50 0 BEAARM COc1ccc(CSCC(=O)[O-])cc1 ZINC000000565854 175114554 /nfs/dbraw/zinc/11/45/54/175114554.db2.gz SDNBUZXAGNJNBL-UHFFFAOYSA-N -1 0 212.270 2.013 50 0 BEAARM COc1ccc(OC)c(SCCC(=O)[O-])c1 ZINC000000107538 175167156 /nfs/dbraw/zinc/16/71/56/175167156.db2.gz QEYCVYMGAYROMC-UHFFFAOYSA-N -1 0 242.296 2.271 50 0 BEAARM COc1ccc2c(C)c(C(=O)[O-])oc2c1 ZINC000000300860 175203761 /nfs/dbraw/zinc/20/37/61/175203761.db2.gz CQZZSFNTQLCLJF-UHFFFAOYSA-N -1 0 206.197 2.448 50 0 BEAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000000095923 175218229 /nfs/dbraw/zinc/21/82/29/175218229.db2.gz RJUBRYYKCHYVEP-UHFFFAOYSA-N -1 0 219.240 2.194 50 0 BEAARM COc1cccc(/C=C/C=C/C(=O)[O-])c1 ZINC000032098712 175240702 /nfs/dbraw/zinc/24/07/02/175240702.db2.gz XVWJWKYAUAINIZ-QKVOYMTASA-N -1 0 204.225 2.349 50 0 BEAARM COc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000043879008 175247100 /nfs/dbraw/zinc/24/71/00/175247100.db2.gz BBGASWPBIIQSLG-NWDGAFQWSA-N -1 0 248.278 2.379 50 0 BEAARM COc1cccc2c(C)c(C(=O)[O-])oc21 ZINC000036924224 175298317 /nfs/dbraw/zinc/29/83/17/175298317.db2.gz ZRQLDWFNRLRPCR-UHFFFAOYSA-N -1 0 206.197 2.448 50 0 BEAARM COc1cccc2c1SC[C@H](C(=O)[O-])C2 ZINC000034275088 175304789 /nfs/dbraw/zinc/30/47/89/175304789.db2.gz UCLKKLUJRBIKDA-MRVPVSSYSA-N -1 0 224.281 2.044 50 0 BEAARM C[C@@H](C(=O)[O-])n1nc(C(F)F)cc1C(F)F ZINC000002732111 175628362 /nfs/dbraw/zinc/62/83/62/175628362.db2.gz NELRRJQUCQJLEC-VKHMYHEASA-N -1 0 240.156 2.404 50 0 BEAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1 ZINC000000463104 175643662 /nfs/dbraw/zinc/64/36/62/175643662.db2.gz YMHUFHFMJABSQX-SECBINFHSA-N -1 0 221.256 2.126 50 0 BEAARM C[C@@H](NC(=O)C(=O)[O-])c1cccc2ccccc21 ZINC000169526876 175824219 /nfs/dbraw/zinc/82/42/19/175824219.db2.gz NHUPKPZCZNIUBG-SECBINFHSA-N -1 0 243.262 2.102 50 0 BEAARM C[C@@H](Sc1ccc(F)cc1)C(=O)[O-] ZINC000019687171 176009540 /nfs/dbraw/zinc/00/95/40/176009540.db2.gz DCGVRKXPYLZLIS-ZCFIWIBFSA-N -1 0 200.234 2.391 50 0 BEAARM C[C@H](C(=O)[O-])n1nc(C(F)(F)F)cc1C1CC1 ZINC000002549594 176588007 /nfs/dbraw/zinc/58/80/07/176588007.db2.gz RVVYGXLNVQSKSI-RXMQYKEDSA-N -1 0 248.204 2.425 50 0 BEAARM C[C@H](Sc1nc2ccccc2o1)C(=O)[O-] ZINC000000873500 177029807 /nfs/dbraw/zinc/02/98/07/177029807.db2.gz MWCCDEDKPAULRG-LURJTMIESA-N -1 0 223.253 2.393 50 0 BEAARM C[C@@H]1CCC[C@H](C)N1C(=S)SCC(=O)[O-] ZINC000003440522 177115902 /nfs/dbraw/zinc/11/59/02/177115902.db2.gz NCIPUDYBLPRKCW-OCAPTIKFSA-N -1 0 247.385 2.352 50 0 BEAARM C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)[O-] ZINC000004205698 177131337 /nfs/dbraw/zinc/13/13/37/177131337.db2.gz NCIPUDYBLPRKCW-YUMQZZPRSA-N -1 0 247.385 2.352 50 0 BEAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)OC(C)(C)C ZINC000095642968 177196995 /nfs/dbraw/zinc/19/69/95/177196995.db2.gz TZCMQIKRCZLVQN-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM Cc1n[nH]cc1-c1ccccc1O[C@H](C)C(=O)[O-] ZINC000534672974 323158865 /nfs/dbraw/zinc/15/88/65/323158865.db2.gz FRLBRCGKRHFWHH-SECBINFHSA-N -1 0 246.266 2.237 50 0 BEAARM O=C([O-])[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC000224655336 323945134 /nfs/dbraw/zinc/94/51/34/323945134.db2.gz SCIPKLWSXIIFHA-QMMMGPOBSA-N -1 0 243.621 2.057 50 0 BEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)c1ccccc1 ZINC000137607320 488182661 /nfs/dbraw/zinc/18/26/61/488182661.db2.gz NARRVCBNCJMXSQ-PWSUYJOCSA-N -1 0 249.310 2.112 50 0 BEAARM Cn1nc(-c2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000000164640 490040011 /nfs/dbraw/zinc/04/00/11/490040011.db2.gz CWILELMBPRKDLT-UHFFFAOYSA-N -1 0 231.299 2.073 50 0 BEAARM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000069553826 490171688 /nfs/dbraw/zinc/17/16/88/490171688.db2.gz MWOMAVYZRMNVDD-RKDXNWHRSA-N -1 0 245.319 2.401 50 0 BEAARM CCOc1ccc2nc(C(=O)[O-])sc2c1 ZINC000075397963 491124675 /nfs/dbraw/zinc/12/46/75/491124675.db2.gz RVVPHWORZKOUDL-UHFFFAOYSA-N -1 0 223.253 2.393 50 0 BEAARM O=C([O-])C(F)(F)c1ccc(C(F)(F)F)cn1 ZINC000040447929 518201348 /nfs/dbraw/zinc/20/13/48/518201348.db2.gz VMFSEGCDPAHKKB-UHFFFAOYSA-N -1 0 241.115 2.277 50 0 BEAARM CC(C)(C)OC(=O)NCCC(C)(C)C(=O)[O-] ZINC000002525344 518827647 /nfs/dbraw/zinc/82/76/47/518827647.db2.gz TWMVVJUXUMIAAJ-UHFFFAOYSA-N -1 0 231.292 2.012 50 0 BEAARM CCC(=O)C1=C([O-])c2ccccc2CC1 ZINC000043651297 582805763 /nfs/dbraw/zinc/80/57/63/582805763.db2.gz RPFZFVUKQMJQBZ-NSHDSACASA-N -1 0 202.253 2.411 50 0 BEAARM CCC(=O)C=C([O-])c1cccc(OC)c1 ZINC000020375599 582459325 /nfs/dbraw/zinc/45/93/25/582459325.db2.gz WYCXFMMTPRPVDF-UHFFFAOYSA-N -1 0 206.241 2.247 50 0 BEAARM CCCc1cc(C(=O)[O-])cc(Br)n1 ZINC000082308361 582468848 /nfs/dbraw/zinc/46/88/48/582468848.db2.gz WQEKHFFCDTWYML-UHFFFAOYSA-N -1 0 244.088 2.495 50 0 BEAARM C[C@@](O)(CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000003995750 633885884 /nfs/dbraw/zinc/88/58/84/633885884.db2.gz RMKDKRYJMQILNF-IQFQURSWSA-N -1 0 238.327 2.429 50 0 BEAARM O=C([O-])[C@H]1CCCN1Cc1cc(Cl)cs1 ZINC000086334767 636885169 /nfs/dbraw/zinc/88/51/69/636885169.db2.gz ZXRKWDKTVSRPIM-SECBINFHSA-N -1 0 245.731 2.451 50 0 BEAARM COc1cc2[nH]c(C(=O)[O-])cc2c(C)c1 ZINC000059730779 640827522 /nfs/dbraw/zinc/82/75/22/640827522.db2.gz OKJRMUCGQPFVFL-UHFFFAOYSA-N -1 0 205.213 2.183 50 0 BEAARM O=C([O-])CCc1csc(-c2ccco2)n1 ZINC000032014402 641711796 /nfs/dbraw/zinc/71/17/96/641711796.db2.gz CFCVUYLAQZDFCV-UHFFFAOYSA-N -1 0 223.253 2.420 50 0 BEAARM CCc1cccc(C)c1N[C@H](C)C(=O)[O-] ZINC000039285915 1166001031 /nfs/dbraw/zinc/00/10/31/1166001031.db2.gz ACQCQKSFTBFYDO-SECBINFHSA-N -1 0 207.273 2.442 50 0 BEAARM O=C([O-])CCc1ccccc1OCC1CC1 ZINC000141321590 1167339981 /nfs/dbraw/zinc/33/99/81/1167339981.db2.gz POCQCTHJHBFGLD-UHFFFAOYSA-N -1 0 220.268 2.493 50 0 BEAARM Cc1cc(COc2ccc(C(=O)[O-])cc2)on1 ZINC000020253491 178049278 /nfs/dbraw/zinc/04/92/78/178049278.db2.gz LFYQZAJDQDRNJE-UHFFFAOYSA-N -1 0 233.223 2.260 50 0 BEAARM Cc1cc(Cl)c(Cl)cc1[C@H](O)C(=O)[O-] ZINC000263624112 178060541 /nfs/dbraw/zinc/06/05/41/178060541.db2.gz NMAGPLDLHVPPPZ-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM CC(=O)c1ccc2ncc(C(=O)[O-])cc2c1 ZINC000261507679 398208888 /nfs/dbraw/zinc/20/88/88/398208888.db2.gz LCFFPBZAJQPAJP-UHFFFAOYSA-N -1 0 215.208 2.136 50 0 BEAARM C[C@H](C(=O)[O-])n1ccc2cc(F)ccc21 ZINC000075234064 398218661 /nfs/dbraw/zinc/21/86/61/398218661.db2.gz UXQIGAUEOUIENC-SSDOTTSWSA-N -1 0 207.204 2.426 50 0 BEAARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)o1 ZINC000074938377 398210822 /nfs/dbraw/zinc/21/08/22/398210822.db2.gz DUQOVLSZOJPRQR-IUCAKERBSA-N -1 0 241.312 2.155 50 0 BEAARM Cc1cc(O)n2c3ccccc3nc2c1C(=O)[O-] ZINC000004638091 178200767 /nfs/dbraw/zinc/20/07/67/178200767.db2.gz MPSDNRSOZFZWTO-UHFFFAOYSA-N -1 0 242.234 2.200 50 0 BEAARM Cc1cc(OCC(=O)[O-])c2ccccc2n1 ZINC000019229400 178209390 /nfs/dbraw/zinc/20/93/90/178209390.db2.gz PQNKENIWGLHVKE-UHFFFAOYSA-N -1 0 217.224 2.007 50 0 BEAARM Cc1cc(OCC(=O)[O-])cc(C)c1Cl ZINC000000080503 178210333 /nfs/dbraw/zinc/21/03/33/178210333.db2.gz IJOSXVVFEKXIGN-UHFFFAOYSA-N -1 0 214.648 2.420 50 0 in-vitro BEAARM Cc1cc(SCC(=O)[O-])nc(C(C)C)n1 ZINC000035121831 178217817 /nfs/dbraw/zinc/21/78/17/178217817.db2.gz UGPFUSZDMWPSSM-UHFFFAOYSA-N -1 0 226.301 2.085 50 0 BEAARM Cc1cc([C@H](O)C(=O)[O-])cc(Cl)c1Cl ZINC000263624540 178264106 /nfs/dbraw/zinc/26/41/06/178264106.db2.gz RJFJYSOILSZRFJ-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc([C@H](O)C(=O)[O-])c(Cl)cc1Cl ZINC000263624129 178264338 /nfs/dbraw/zinc/26/43/38/178264338.db2.gz NRPKCBPPLIERJH-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc2ncn([C@@H](C)C(=O)[O-])c2cc1C ZINC000010382616 178304959 /nfs/dbraw/zinc/30/49/59/178304959.db2.gz VYZXMWIHJFIFBE-VIFPVBQESA-N -1 0 218.256 2.299 50 0 BEAARM Cc1cc2ncn(C[C@H](C)C(=O)[O-])c2cc1C ZINC000035756760 178305179 /nfs/dbraw/zinc/30/51/79/178305179.db2.gz MMEILEAEOHKIIF-JTQLQIEISA-N -1 0 232.283 2.374 50 0 BEAARM Cc1cc2oc(C(=O)[O-])cc(=O)c2cc1C ZINC000004985816 178307153 /nfs/dbraw/zinc/30/71/53/178307153.db2.gz RTXTZTPZRBJVAN-UHFFFAOYSA-N -1 0 218.208 2.108 50 0 BEAARM Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)s1 ZINC000006622226 178318835 /nfs/dbraw/zinc/31/88/35/178318835.db2.gz JIJVBLCUMDFCFW-UHFFFAOYSA-N -1 0 208.242 2.145 50 0 BEAARM Cc1ccc(-c2nn(C)cc2CCC(=O)[O-])cc1 ZINC000031886036 178340201 /nfs/dbraw/zinc/34/02/01/178340201.db2.gz HSYHZUSOUBTRRN-UHFFFAOYSA-N -1 0 244.294 2.413 50 0 BEAARM Cc1ccc(-c2ocnc2C(=O)[O-])cc1 ZINC000000107952 178344767 /nfs/dbraw/zinc/34/47/67/178344767.db2.gz SEGAPYFKYCVPBR-UHFFFAOYSA-N -1 0 203.197 2.348 50 0 BEAARM Cc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000009486770 178345075 /nfs/dbraw/zinc/34/50/75/178345075.db2.gz RRYLINGFJHFONY-UHFFFAOYSA-N -1 0 242.200 2.493 50 0 BEAARM C[Si](C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000205310717 538955481 /nfs/dbraw/zinc/95/54/81/538955481.db2.gz JGZJTJGZAGJOOE-UHFFFAOYSA-N -1 0 242.350 2.139 50 0 BEAARM CC(=O)c1c(C)nc2ccccc2c1C(=O)[O-] ZINC000000089963 342673885 /nfs/dbraw/zinc/67/38/85/342673885.db2.gz HIPCSIUQHLNUFA-UHFFFAOYSA-N -1 0 229.235 2.444 50 0 biogenic,in-vitro BEAARM O=C([O-])c1ccc(NC(=O)c2ccco2)cc1 ZINC000000123862 342675775 /nfs/dbraw/zinc/67/57/75/342675775.db2.gz LKSXLVUUFLNDSS-UHFFFAOYSA-N -1 0 231.207 2.230 50 0 BEAARM Cc1c(C(=O)[O-])oc2c1[C@@H](O)CC(C)(C)C2 ZINC000000532574 342689374 /nfs/dbraw/zinc/68/93/74/342689374.db2.gz LSTANEOPKBKSDR-ZETCQYMHSA-N -1 0 224.256 2.292 50 0 BEAARM Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000000028454 342669915 /nfs/dbraw/zinc/66/99/15/342669915.db2.gz KTHTXLUIEAIGCD-UHFFFAOYSA-N -1 0 206.028 2.274 50 0 BEAARM CCSc1nc2ccccc2n1CC(=O)[O-] ZINC000000037768 342670648 /nfs/dbraw/zinc/67/06/48/342670648.db2.gz XKQRRVQMZXKVOH-UHFFFAOYSA-N -1 0 236.296 2.233 50 0 BEAARM Nc1nc(-c2ccccc2C(=O)[O-])cs1 ZINC000001287898 342698908 /nfs/dbraw/zinc/69/89/08/342698908.db2.gz DPPLJWSTECTTET-UHFFFAOYSA-N -1 0 220.253 2.091 50 0 BEAARM CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000001436070 342700843 /nfs/dbraw/zinc/70/08/43/342700843.db2.gz CKAXJDBTNNEENW-VIFPVBQESA-N -1 0 243.303 2.251 50 0 BEAARM O=C([O-])c1cn2c(n1)sc1cc(F)ccc12 ZINC000001529139 342702448 /nfs/dbraw/zinc/70/24/48/342702448.db2.gz WLWVJQBLVPCFAH-UHFFFAOYSA-N -1 0 236.227 2.386 50 0 BEAARM Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000001596934 342705010 /nfs/dbraw/zinc/70/50/10/342705010.db2.gz DKCCMQRKDKYYCA-UHFFFAOYSA-N -1 0 234.280 2.019 50 0 in-vitro BEAARM [NH3+][C@@](Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000001666487 342707614 /nfs/dbraw/zinc/70/76/14/342707614.db2.gz YMCRTUKBQGPJNL-OAHLLOKOSA-N -1 0 241.290 2.168 50 0 BEAARM COc1cc(C(=O)[O-])cc(Cl)c1OC ZINC000001677698 342708558 /nfs/dbraw/zinc/70/85/58/342708558.db2.gz WUBQRSNEXSSLFX-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM Nc1nc(-c2cccs2)c(CC(=O)[O-])s1 ZINC000001782902 342712522 /nfs/dbraw/zinc/71/25/22/342712522.db2.gz DSGCQCIYLMWRBL-UHFFFAOYSA-N -1 0 240.309 2.081 50 0 BEAARM O=C([O-])[C@H](Cc1ccco1)C(F)(F)F ZINC000004265744 342745821 /nfs/dbraw/zinc/74/58/21/342745821.db2.gz QBYZPEJVGHRMIX-LURJTMIESA-N -1 0 208.135 2.085 50 0 BEAARM O=C([O-])[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000004294527 342746224 /nfs/dbraw/zinc/74/62/24/342746224.db2.gz KIWWDOKNJZYHSY-MRVPVSSYSA-N -1 0 243.621 2.057 50 0 BEAARM CCOc1ccc2c(cc(C(=O)[O-])n2C)c1 ZINC000004384237 342747443 /nfs/dbraw/zinc/74/74/43/342747443.db2.gz NKKFVMSSWWSCJN-UHFFFAOYSA-N -1 0 219.240 2.275 50 0 BEAARM O=C([O-])c1ccccc1NCc1ccccn1 ZINC000004413503 342747716 /nfs/dbraw/zinc/74/77/16/342747716.db2.gz NCPRURHPFDPBEE-UHFFFAOYSA-N -1 0 228.251 2.392 50 0 BEAARM O=c1c2ccccc2[n-]c(=S)n1C1CC1 ZINC000002537679 342723350 /nfs/dbraw/zinc/72/33/50/342723350.db2.gz HXZKZIDCGWOBNU-UHFFFAOYSA-N -1 0 218.281 2.394 50 0 BEAARM O=C([O-])c1cc(Br)cc(F)c1F ZINC000002539988 342723524 /nfs/dbraw/zinc/72/35/24/342723524.db2.gz IOYATAKVVIXJQT-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM O=C([O-])c1cc(F)c(F)cc1Br ZINC000002540652 342723540 /nfs/dbraw/zinc/72/35/40/342723540.db2.gz DGCBGBZYTNTZJH-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1C(=O)[O-] ZINC000002555509 342723752 /nfs/dbraw/zinc/72/37/52/342723752.db2.gz GKDUYHIMOWUHAF-UFBFGSQYSA-N -1 0 243.303 2.155 50 0 BEAARM CC1(C)S[C@@H](c2cccs2)N[C@H]1C(=O)[O-] ZINC000003107958 342730593 /nfs/dbraw/zinc/73/05/93/342730593.db2.gz CNPAHLACCHNFLI-YUMQZZPRSA-N -1 0 243.353 2.315 50 0 BEAARM CCOc1cc(C(=O)[O-])cc(Cl)c1O ZINC000003335916 342732751 /nfs/dbraw/zinc/73/27/51/342732751.db2.gz AWZRDODNKDGNKP-UHFFFAOYSA-N -1 0 216.620 2.143 50 0 BEAARM O=C([O-])c1cc(C2CC2)nn1-c1ccccc1 ZINC000003407196 342733247 /nfs/dbraw/zinc/73/32/47/342733247.db2.gz JFQCXXRFZAYTNZ-UHFFFAOYSA-N -1 0 228.251 2.448 50 0 BEAARM O=C([O-])c1cc2c(nc3sccn32)s1 ZINC000003887525 342739212 /nfs/dbraw/zinc/73/92/12/342739212.db2.gz YVAYRVRJROAHIC-UHFFFAOYSA-N -1 0 224.266 2.309 50 0 BEAARM COc1cc(C)c(C(=O)CCC(=O)[O-])cc1C ZINC000004943448 342754822 /nfs/dbraw/zinc/75/48/22/342754822.db2.gz PIIITSKFNJDVGN-UHFFFAOYSA-N -1 0 236.267 2.360 50 0 BEAARM O=C([O-])c1cccc(NC(=O)c2ccncc2)c1 ZINC000005051363 342757076 /nfs/dbraw/zinc/75/70/76/342757076.db2.gz MCLRAQYEHWJHFQ-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1cccnc1N1CCCCCC1 ZINC000005762834 342769776 /nfs/dbraw/zinc/76/97/76/342769776.db2.gz BVAHKSJTGCVOAU-UHFFFAOYSA-N -1 0 220.272 2.160 50 0 BEAARM CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000006395629 342777150 /nfs/dbraw/zinc/77/71/50/342777150.db2.gz CEQSRCVNBFGKSW-UHFFFAOYSA-N -1 0 205.286 2.492 50 0 BEAARM Cc1cccc(-c2n[nH]cc2C(=O)[O-])c1 ZINC000008700070 342802583 /nfs/dbraw/zinc/80/25/83/342802583.db2.gz HSZBXXGBZUJTHT-UHFFFAOYSA-N -1 0 202.213 2.083 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)cc2F)[nH]n1 ZINC000006849496 342784820 /nfs/dbraw/zinc/78/48/20/342784820.db2.gz LRDOJMOGOIKYLF-UHFFFAOYSA-N -1 0 224.166 2.053 50 0 BEAARM CCc1ccc(-c2n[nH]cc2C(=O)[O-])cc1 ZINC000009189792 342809285 /nfs/dbraw/zinc/80/92/85/342809285.db2.gz PTMAQEKNSGRYGK-UHFFFAOYSA-N -1 0 216.240 2.337 50 0 BEAARM Cc1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000008700931 178442832 /nfs/dbraw/zinc/44/28/32/178442832.db2.gz WFIMETDAYDXAMM-UHFFFAOYSA-N -1 0 205.257 2.293 50 0 BEAARM O=C([O-])c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000008907618 342805855 /nfs/dbraw/zinc/80/58/55/342805855.db2.gz RBEXMCWLDOSRCJ-UHFFFAOYSA-N -1 0 247.294 2.191 50 0 BEAARM Cc1ccc(Cl)cc1OCC(=O)[O-] ZINC000009038900 342807269 /nfs/dbraw/zinc/80/72/69/342807269.db2.gz AXHCGXRBOHBEQA-UHFFFAOYSA-N -1 0 200.621 2.112 50 0 BEAARM O=C([O-])c1c(Cl)nccc1C(F)(F)F ZINC000011919471 342844664 /nfs/dbraw/zinc/84/46/64/342844664.db2.gz FZIJHEOXLKCIRZ-UHFFFAOYSA-N -1 0 225.553 2.452 50 0 BEAARM O=C([O-])c1ccc(C(=O)c2ccco2)cc1 ZINC000012374887 342850387 /nfs/dbraw/zinc/85/03/87/342850387.db2.gz WCXUOPBBWAUFTK-UHFFFAOYSA-N -1 0 216.192 2.209 50 0 BEAARM Cc1nc(Nc2ccc(F)cc2)ncc1C(=O)[O-] ZINC000015423886 342896189 /nfs/dbraw/zinc/89/61/89/342896189.db2.gz NKYNCAKLAPJLCO-UHFFFAOYSA-N -1 0 247.229 2.366 50 0 BEAARM O=C([O-])c1cc(O)cc(C(F)(F)F)c1 ZINC000015442784 342896362 /nfs/dbraw/zinc/89/63/62/342896362.db2.gz BJUOAPFXYPEEMK-UHFFFAOYSA-N -1 0 206.119 2.109 50 0 BEAARM O=C([O-])c1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC000015444610 342896605 /nfs/dbraw/zinc/89/66/05/342896605.db2.gz LNBDAJILRYSSGZ-LBPRGKRZSA-N -1 0 246.266 2.434 50 0 BEAARM Nc1ccc(Cl)cc1SCC(=O)[O-] ZINC000003684103 398325046 /nfs/dbraw/zinc/32/50/46/398325046.db2.gz AVXQREFAMKAFPA-UHFFFAOYSA-N -1 0 217.677 2.099 50 0 BEAARM Cc1[nH]nc(-c2ccccc2)c1CC(=O)[O-] ZINC000019737438 342955802 /nfs/dbraw/zinc/95/58/02/342955802.db2.gz BFBKFHZHKVPERM-UHFFFAOYSA-N -1 0 216.240 2.012 50 0 BEAARM CC(C)(C)c1nc(C(=O)[O-])c2ccccn21 ZINC000020222660 342977915 /nfs/dbraw/zinc/97/79/15/342977915.db2.gz KOZNQGRKKLAYOE-UHFFFAOYSA-N -1 0 218.256 2.330 50 0 BEAARM Cc1ccc2c(CCC(=O)[O-])c[nH]c2c1 ZINC000020269210 342979510 /nfs/dbraw/zinc/97/95/10/342979510.db2.gz BZQVNBRRLIMNAA-UHFFFAOYSA-N -1 0 203.241 2.494 50 0 BEAARM O=C([O-])C1([C@H]2CCNc3ccccc32)CC1 ZINC000584880384 343080740 /nfs/dbraw/zinc/08/07/40/343080740.db2.gz ZNIUWWYATCCYSL-JTQLQIEISA-N -1 0 217.268 2.451 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)c(F)c2)on1 ZINC000026423744 343104852 /nfs/dbraw/zinc/10/48/52/343104852.db2.gz GUQAHOANQYNQHL-UHFFFAOYSA-N -1 0 225.150 2.318 50 0 BEAARM O=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000026514888 343106456 /nfs/dbraw/zinc/10/64/56/343106456.db2.gz XVUVNZVHZHYLFI-UHFFFAOYSA-N -1 0 222.631 2.224 50 0 BEAARM O=C([O-])c1ccc2c(c1)ncn2Cc1ccco1 ZINC000031772035 343224210 /nfs/dbraw/zinc/22/42/10/343224210.db2.gz WWGMQRGLLKPHLU-UHFFFAOYSA-N -1 0 242.234 2.376 50 0 BEAARM O=C([O-])c1ccc(NC(=O)N2CCCC2)cc1 ZINC000032500454 343236673 /nfs/dbraw/zinc/23/66/73/343236673.db2.gz RYQRZHAAHBOYLH-UHFFFAOYSA-N -1 0 234.255 2.013 50 0 BEAARM O=C([O-])[C@H]1CC(c2ccccc2)=NCCS1 ZINC000000187351 343268769 /nfs/dbraw/zinc/26/87/69/343268769.db2.gz NRJWOOJGESLWEK-LLVKDONJSA-N -1 0 235.308 2.066 50 0 biogenic BEAARM O=c1ccc(=S)n(-c2ccccc2)[n-]1 ZINC000023114692 343272324 /nfs/dbraw/zinc/27/23/24/343272324.db2.gz SOWLCWJMJMVHED-UHFFFAOYSA-N -1 0 204.254 2.307 50 0 BEAARM O=C([O-])c1ncccc1OCc1ccccc1 ZINC000034537007 343274196 /nfs/dbraw/zinc/27/41/96/343274196.db2.gz MWHFMAMJIYHCLW-UHFFFAOYSA-N -1 0 229.235 2.359 50 0 BEAARM O=C([O-])[C@@H]1CCCCN1c1nc2ccccc2o1 ZINC000034924857 343280539 /nfs/dbraw/zinc/28/05/39/343280539.db2.gz WXTUPZCUXANAJB-JTQLQIEISA-N -1 0 246.266 2.271 50 0 BEAARM Cn1cc(C(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000034961723 343281937 /nfs/dbraw/zinc/28/19/37/343281937.db2.gz MAQQXURIMHJZOA-UHFFFAOYSA-N -1 0 236.658 2.439 50 0 BEAARM O=[S@@]([O-])c1ccc(OC(F)(F)F)cc1 ZINC000036533518 343320017 /nfs/dbraw/zinc/32/00/17/343320017.db2.gz QDSJFPQFFMRNDV-UHFFFAOYSA-N -1 0 226.175 2.166 50 0 BEAARM O=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000036960152 343328560 /nfs/dbraw/zinc/32/85/60/343328560.db2.gz YNFKZONCUONSFE-UHFFFAOYSA-N -1 0 226.663 2.033 50 0 BEAARM COc1ccc(CCCC(=O)[O-])cc1F ZINC000035424657 343296283 /nfs/dbraw/zinc/29/62/83/343296283.db2.gz QKWHNXWKHRRCDZ-UHFFFAOYSA-N -1 0 212.220 2.242 50 0 BEAARM COc1cc(C(=O)[O-])cc(OC)c1OC(F)F ZINC000035663130 343302003 /nfs/dbraw/zinc/30/20/03/343302003.db2.gz KOBKEANPKHAIPC-UHFFFAOYSA-N -1 0 248.181 2.003 50 0 BEAARM Cc1ccc(CCC(=O)[O-])c(F)c1F ZINC000038530048 343376404 /nfs/dbraw/zinc/37/64/04/343376404.db2.gz BZQMQILMVGTKQG-UHFFFAOYSA-N -1 0 200.184 2.290 50 0 BEAARM O=C([O-])[C@H]1CCc2c([nH]c3ccccc32)C1 ZINC000039202930 343386769 /nfs/dbraw/zinc/38/67/69/343386769.db2.gz VSIDDKKWZMIYEV-QMMMGPOBSA-N -1 0 215.252 2.357 50 0 BEAARM Cc1nc(Cc2ccccc2)ncc1C(=O)[O-] ZINC000040447946 343403736 /nfs/dbraw/zinc/40/37/36/343403736.db2.gz QWQWCFIRNKMLGQ-UHFFFAOYSA-N -1 0 228.251 2.074 50 0 BEAARM O=C([O-])c1cc2c(s1)CCSC2 ZINC000042335370 343435236 /nfs/dbraw/zinc/43/52/36/343435236.db2.gz GNFCYTBCYXABDO-UHFFFAOYSA-N -1 0 200.284 2.236 50 0 BEAARM Cc1nc(Cl)cc(Cl)c1C(=O)[O-] ZINC000042684386 343447801 /nfs/dbraw/zinc/44/78/01/343447801.db2.gz GWYIZOFIYNAMAC-UHFFFAOYSA-N -1 0 206.028 2.395 50 0 BEAARM O=C([O-])[C@@H](O)c1cccc(-c2ccccc2)c1 ZINC000044126143 343492692 /nfs/dbraw/zinc/49/26/92/343492692.db2.gz QLRNUKKGLZSKOC-ZDUSSCGKSA-N -1 0 228.247 2.472 50 0 BEAARM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)[O-] ZINC000044831645 343516369 /nfs/dbraw/zinc/51/63/69/343516369.db2.gz NFMLOTGNJNBRPQ-UHFFFAOYSA-N -1 0 231.292 2.155 50 0 BEAARM Cc1cc2nc(C)c(C(=O)[O-])nc2cc1C ZINC000083254546 343520649 /nfs/dbraw/zinc/52/06/49/343520649.db2.gz JIIDDXKFCIHDBT-UHFFFAOYSA-N -1 0 216.240 2.253 50 0 BEAARM O=C([O-])c1cnc(-c2cccc(Cl)c2)nc1 ZINC000008730986 343563451 /nfs/dbraw/zinc/56/34/51/343563451.db2.gz NGIZONKBXYKJKA-UHFFFAOYSA-N -1 0 234.642 2.495 50 0 BEAARM Cc1ccc(Cl)c(Cl)c1[C@H](O)C(=O)[O-] ZINC000263623585 178656290 /nfs/dbraw/zinc/65/62/90/178656290.db2.gz ISYSKIKOLRTCEB-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM COc1ccc(Br)c([O-])c1F ZINC000215838559 349933664 /nfs/dbraw/zinc/93/36/64/349933664.db2.gz JOYVCFSGWIFGOC-UHFFFAOYSA-N -1 0 221.025 2.302 50 0 BEAARM CCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037863501 168533170 /nfs/dbraw/zinc/53/31/70/168533170.db2.gz HDPHSYDZJLTRPT-UHFFFAOYSA-N -1 0 235.283 2.143 50 0 BEAARM Cc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)[O-] ZINC000000280449 178958300 /nfs/dbraw/zinc/95/83/00/178958300.db2.gz IJPMOOLUWLFNOJ-UHFFFAOYSA-N -1 0 245.278 2.093 50 0 biogenic BEAARM CC(C)C(=O)c1c([O-])c2ccccc2oc1=O ZINC000006357791 346075374 /nfs/dbraw/zinc/07/53/74/346075374.db2.gz CIIHMDBAZFNOFU-UHFFFAOYSA-N -1 0 232.235 2.337 50 0 biogenic BEAARM Cc1c(C(=O)[O-])cnn1-c1cccc(C)c1 ZINC000015583190 179000779 /nfs/dbraw/zinc/00/07/79/179000779.db2.gz AYSRSCFNOFICJX-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000021958936 179008096 /nfs/dbraw/zinc/00/80/96/179008096.db2.gz DIDOKOLOHVIZJC-LBPRGKRZSA-N -1 0 247.294 2.074 50 0 BEAARM Cc1cccc(C)c1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000097045155 179031647 /nfs/dbraw/zinc/03/16/47/179031647.db2.gz VZKCGZRMEMTGBL-VIFPVBQESA-N -1 0 249.310 2.144 50 0 BEAARM Cc1cccc(C2(C(=O)[O-])CCOCC2)c1 ZINC000013483683 179051150 /nfs/dbraw/zinc/05/11/50/179051150.db2.gz UIMHVEDXEBDFFT-UHFFFAOYSA-N -1 0 220.268 2.128 50 0 BEAARM CC(C)CC[C@]1(CCC(=O)[O-])CCOC1=O ZINC000000410015 346418571 /nfs/dbraw/zinc/41/85/71/346418571.db2.gz UFRNSYLUSNJLON-LBPRGKRZSA-N -1 0 228.288 2.221 50 0 BEAARM Cc1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000000242125 179126177 /nfs/dbraw/zinc/12/61/77/179126177.db2.gz MPKHVCFQBHNIHB-UHFFFAOYSA-N -1 0 221.256 2.188 50 0 BEAARM Cc1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000000466203 179130026 /nfs/dbraw/zinc/13/00/26/179130026.db2.gz JLLSKJKFCAHRGF-JTQLQIEISA-N -1 0 235.283 2.434 50 0 BEAARM Cc1c(C(=O)[O-])cnn1-c1ccccc1C ZINC000000161920 179242819 /nfs/dbraw/zinc/24/28/19/179242819.db2.gz ZAECUUMNEFZBLG-UHFFFAOYSA-N -1 0 216.240 2.187 50 0 BEAARM Cc1ccccc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000057537576 179245380 /nfs/dbraw/zinc/24/53/80/179245380.db2.gz XMTHLPQNRXFJTJ-UHFFFAOYSA-N -1 0 249.310 2.178 50 0 BEAARM O=C([O-])[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000037380680 348390808 /nfs/dbraw/zinc/39/08/08/348390808.db2.gz HRUXUHQNXUDJEP-NWDGAFQWSA-N -1 0 228.251 2.060 50 0 BEAARM CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000006494084 187412833 /nfs/dbraw/zinc/41/28/33/187412833.db2.gz SUXLFEALYPIVJT-ZETCQYMHSA-N -1 0 222.288 2.259 50 0 BEAARM Cc1nc([C@H]2CCCO2)sc1C(=O)[O-] ZINC000083347421 180057187 /nfs/dbraw/zinc/05/71/87/180057187.db2.gz QMUSLNJQXVIBGC-ZCFIWIBFSA-N -1 0 213.258 2.001 50 0 BEAARM Cc1nc2cc(C(=O)[O-])ccc2n1C1CC1 ZINC000020159934 180075697 /nfs/dbraw/zinc/07/56/97/180075697.db2.gz LQPGSZKLSRZBGH-UHFFFAOYSA-N -1 0 216.240 2.378 50 0 BEAARM Cc1ncc2c(c1-c1nn[nH]n1)[C@@H](C)CCC2 ZINC000072447020 180176665 /nfs/dbraw/zinc/17/66/65/180176665.db2.gz SAAWELMYDUBGJI-ZETCQYMHSA-N -1 0 229.287 2.010 50 0 BEAARM O=C([O-])c1c[nH]cc1-c1ccc(Cl)nc1 ZINC000039150148 350332339 /nfs/dbraw/zinc/33/23/39/350332339.db2.gz RXHPHZAKBICZQI-UHFFFAOYSA-N -1 0 222.631 2.428 50 0 BEAARM Cc1nn(CSCCC(=O)[O-])c(C)c1Cl ZINC000002537828 180391153 /nfs/dbraw/zinc/39/11/53/180391153.db2.gz QNOWCFNWQYFYPB-UHFFFAOYSA-N -1 0 248.735 2.319 50 0 BEAARM O=C([O-])[C@](O)(c1cccs1)c1ccccc1 ZINC000037632285 350588548 /nfs/dbraw/zinc/58/85/48/350588548.db2.gz BIHFCPRVAAVAPP-GFCCVEGCSA-N -1 0 234.276 2.069 50 0 in-vitro BEAARM COc1cc(CC(=O)[O-])ccc1OC(C)C ZINC000004227507 352612214 /nfs/dbraw/zinc/61/22/14/352612214.db2.gz TWZIQDJXVGSPSD-UHFFFAOYSA-N -1 0 224.256 2.110 50 0 BEAARM CC(C)(CC(=O)[O-])CC(=O)NC1CCCCC1 ZINC000009850673 187760115 /nfs/dbraw/zinc/76/01/15/187760115.db2.gz XAKYQDKEJCZDHK-UHFFFAOYSA-N -1 0 241.331 2.326 50 0 BEAARM O=C1[N-]C(=O)[C@@H](Cc2cc3ccccc3o2)S1 ZINC000004110182 353124040 /nfs/dbraw/zinc/12/40/40/353124040.db2.gz ZWYUQEXIJUOOOQ-SNVBAGLBSA-N -1 0 247.275 2.327 50 0 BEAARM O=C([O-])c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000000544825 188099738 /nfs/dbraw/zinc/09/97/38/188099738.db2.gz UGZUJTGYNFLQEC-UHFFFAOYSA-N -1 0 236.658 2.283 50 0 BEAARM CC(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000003220805 188100823 /nfs/dbraw/zinc/10/08/23/188100823.db2.gz FNHIEZKOCYDCOH-UHFFFAOYSA-N -1 0 222.240 2.133 50 0 BEAARM COc1ccc(Cl)cc1NCCC(=O)[O-] ZINC000020376559 188108683 /nfs/dbraw/zinc/10/86/83/188108683.db2.gz CAWWTOFVLUQGQX-UHFFFAOYSA-N -1 0 229.663 2.235 50 0 BEAARM CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000084018942 188143282 /nfs/dbraw/zinc/14/32/82/188143282.db2.gz MIZLPLOCVAAQMG-VIFPVBQESA-N -1 0 228.631 2.029 50 0 BEAARM CC(C)Cn1cc(C(=O)[O-])c(C(F)F)n1 ZINC000238855679 188192084 /nfs/dbraw/zinc/19/20/84/188192084.db2.gz SNDFTWQSHNOENR-UHFFFAOYSA-N -1 0 218.203 2.175 50 0 BEAARM O=c1oc2ccccc2c([O-])c1Br ZINC000000270853 188453423 /nfs/dbraw/zinc/45/34/23/188453423.db2.gz JHXCCDBMPGIEQX-UHFFFAOYSA-N -1 0 241.040 2.261 50 0 BEAARM O=C([O-])c1cccc2c(Br)n[nH]c21 ZINC000040380468 188474879 /nfs/dbraw/zinc/47/48/79/188474879.db2.gz SHOGUOJFKMABOH-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C(C=C([O-])c1ccc(O)cc1)C(F)(F)F ZINC000100138547 188502722 /nfs/dbraw/zinc/50/27/22/188502722.db2.gz XIIXPTDNSYQRHR-UHFFFAOYSA-N -1 0 232.157 2.096 50 0 BEAARM CC(C)c1c(C(=O)[O-])nnn1-c1ccccc1 ZINC000011888133 355769645 /nfs/dbraw/zinc/76/96/45/355769645.db2.gz ZNTJCYLGRRRGHW-UHFFFAOYSA-N -1 0 231.255 2.089 50 0 BEAARM Cc1ccc(N[C@H]2SC(=O)[N-]C2=O)c(C)c1 ZINC000001191657 356019559 /nfs/dbraw/zinc/01/95/59/356019559.db2.gz LQZFABJMPRNPCJ-JTQLQIEISA-N -1 0 236.296 2.024 50 0 BEAARM O=C([O-])c1ccccc1-c1nc2cc[nH]cc-2n1 ZINC000033559233 356367736 /nfs/dbraw/zinc/36/77/36/356367736.db2.gz IPYSRRNUQJFNSB-UHFFFAOYSA-N -1 0 239.234 2.323 50 0 BEAARM CC(C)c1ccccc1S(=O)(=O)[O-] ZINC000005761685 356471714 /nfs/dbraw/zinc/47/17/14/356471714.db2.gz JBVOQKNLGSOPNZ-UHFFFAOYSA-N -1 0 200.259 2.057 50 0 BEAARM O=c1c2sccc2[n-]c(=S)n1C1CC1 ZINC000021949333 356544639 /nfs/dbraw/zinc/54/46/39/356544639.db2.gz UZENOPDNPICWGT-UHFFFAOYSA-N -1 0 224.310 2.455 50 0 BEAARM Cc1onc(-c2ccc(C)cn2)c1C(=O)[O-] ZINC000675057436 538479754 /nfs/dbraw/zinc/47/97/54/538479754.db2.gz GMDCDFYMKLNXKJ-UHFFFAOYSA-N -1 0 218.212 2.052 50 0 BEAARM Cc1onc(-c2ccc(Cl)nc2)c1C(=O)[O-] ZINC000675057714 538480504 /nfs/dbraw/zinc/48/05/04/538480504.db2.gz LBFWTEXNNFGXDE-UHFFFAOYSA-N -1 0 238.630 2.397 50 0 BEAARM CCCc1onc(-c2cncs2)c1C(=O)[O-] ZINC000675057923 538480966 /nfs/dbraw/zinc/48/09/66/538480966.db2.gz RTSOYCSUWPIZHQ-UHFFFAOYSA-N -1 0 238.268 2.449 50 0 BEAARM Cc1oc(C(=O)[O-])c(C)c1Br ZINC000026506892 356668697 /nfs/dbraw/zinc/66/86/97/356668697.db2.gz MPMDOWUTKXPBFG-UHFFFAOYSA-N -1 0 219.034 2.357 50 0 BEAARM O=C([O-])c1cc(-c2cccs2)nc2ccnn21 ZINC000020605049 357340286 /nfs/dbraw/zinc/34/02/86/357340286.db2.gz VIBHZLPEZJKIGV-UHFFFAOYSA-N -1 0 245.263 2.156 50 0 BEAARM Cc1cc(C)nc(N[C@H](CC(C)C)C(=O)[O-])n1 ZINC000001907113 359308106 /nfs/dbraw/zinc/30/81/06/359308106.db2.gz FXYIEBKCZUKKES-SNVBAGLBSA-N -1 0 237.303 2.005 50 0 BEAARM Fc1ccc(-c2ccc3n[n-]c(=S)n3n2)cc1 ZINC000041631111 361685360 /nfs/dbraw/zinc/68/53/60/361685360.db2.gz IZSHXBULQMGGKG-UHFFFAOYSA-N -1 0 246.270 2.219 50 0 BEAARM O=C([O-])c1cc2c(ccc3ccccc32)[nH]c1=O ZINC000139310413 361723518 /nfs/dbraw/zinc/72/35/18/361723518.db2.gz RDHJBNXHVVXPLS-UHFFFAOYSA-N -1 0 239.230 2.380 50 0 BEAARM CC(C)(C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000022113946 368373050 /nfs/dbraw/zinc/37/30/50/368373050.db2.gz NFRPKIATGQQKHI-IUCAKERBSA-N -1 0 228.288 2.219 50 0 BEAARM CCOc1cc([C@@H]2C[C@H]2C(=O)[O-])ccc1F ZINC000575447758 369027238 /nfs/dbraw/zinc/02/72/38/369027238.db2.gz SFPGDNUXEIEYEY-DTWKUNHWSA-N -1 0 224.231 2.413 50 0 BEAARM COc1cc(C)nc2ccc(C(=O)[O-])cc21 ZINC000013362456 371049013 /nfs/dbraw/zinc/04/90/13/371049013.db2.gz SVAHSBZBRCAQBS-UHFFFAOYSA-N -1 0 217.224 2.250 50 0 BEAARM Cc1c(Br)cccc1[S@@](=O)[O-] ZINC000162613191 371730785 /nfs/dbraw/zinc/73/07/85/371730785.db2.gz XRZRLKFINCCRII-UHFFFAOYSA-N -1 0 235.102 2.338 50 0 BEAARM O=C([O-])c1noc2c1CCc1ccccc1-2 ZINC000039286960 372930278 /nfs/dbraw/zinc/93/02/78/372930278.db2.gz OSRPSNRZOFWYFX-UHFFFAOYSA-N -1 0 215.208 2.138 50 0 BEAARM CCCCn1[n-]c(-c2ccccc2)cc1=O ZINC000005869527 168835344 /nfs/dbraw/zinc/83/53/44/168835344.db2.gz RDVWFLYMAPUPJM-UHFFFAOYSA-N -1 0 216.284 2.423 50 0 BEAARM O=C([O-])/C=C1\CCCc2ccccc2[C@@H]1O ZINC000003782203 182413700 /nfs/dbraw/zinc/41/37/00/182413700.db2.gz UADPGHINQMWEAG-AORWBKJGSA-N -1 0 218.252 2.067 50 0 in-vitro BEAARM O=C([O-])C(=O)Cc1cccc2ccccc21 ZINC000005518888 182417117 /nfs/dbraw/zinc/41/71/17/182417117.db2.gz MSCJSMVNUFGBHB-UHFFFAOYSA-N -1 0 214.220 2.036 50 0 BEAARM O=C([O-])CCC(=O)c1ccc(Cl)s1 ZINC000003267983 182434078 /nfs/dbraw/zinc/43/40/78/182434078.db2.gz QVRXRXKGJQLWMJ-UHFFFAOYSA-N -1 0 218.661 2.449 50 0 BEAARM O=C([O-])CCC(=O)n1ccc2ccccc21 ZINC000013531118 182434801 /nfs/dbraw/zinc/43/48/01/182434801.db2.gz MVWDZPQGNZUCGB-UHFFFAOYSA-N -1 0 217.224 2.146 50 0 BEAARM O=C([O-])CSCc1ccc(F)cc1 ZINC000000266727 182472024 /nfs/dbraw/zinc/47/20/24/182472024.db2.gz ORCMGWGLMCFUIA-UHFFFAOYSA-N -1 0 200.234 2.144 50 0 BEAARM O=C([O-])Cc1nc(C(F)(F)F)ccc1Cl ZINC000238609859 182495056 /nfs/dbraw/zinc/49/50/56/182495056.db2.gz WATKQMDVUZSSCO-UHFFFAOYSA-N -1 0 239.580 2.381 50 0 BEAARM O=C([O-])[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC000011639136 182508573 /nfs/dbraw/zinc/50/85/73/182508573.db2.gz HYHWFZOGQTYMQV-NSHDSACASA-N -1 0 239.315 2.032 50 0 BEAARM O=C([O-])c1cc(N2CCCCCC2)ccn1 ZINC000036896345 182555720 /nfs/dbraw/zinc/55/57/20/182555720.db2.gz RIPLRWDBSPOPGL-UHFFFAOYSA-N -1 0 220.272 2.160 50 0 BEAARM O=C([O-])c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000036379654 182555791 /nfs/dbraw/zinc/55/57/91/182555791.db2.gz ASXXJQDETZYEJF-UHFFFAOYSA-N -1 0 212.205 2.063 50 0 BEAARM O=C([O-])c1cc2c(cc1C(F)(F)F)CCN2 ZINC000083254794 182558663 /nfs/dbraw/zinc/55/86/63/182558663.db2.gz CNOXCHIVPNAQDW-UHFFFAOYSA-N -1 0 231.173 2.372 50 0 BEAARM O=C([O-])c1ccc(NC(=O)c2ccccn2)cc1 ZINC000013955075 182568716 /nfs/dbraw/zinc/56/87/16/182568716.db2.gz DJJBTHUGYMDMCO-UHFFFAOYSA-N -1 0 242.234 2.032 50 0 BEAARM O=C([O-])c1cc2cc(Br)c[nH]c-2n1 ZINC000066054378 182560158 /nfs/dbraw/zinc/56/01/58/182560158.db2.gz WVRNTDOWZRUIKE-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM O=C([O-])c1ccccc1COC1CCOCC1 ZINC000040991575 182581710 /nfs/dbraw/zinc/58/17/10/182581710.db2.gz UNKIPPGRAUVJET-UHFFFAOYSA-N -1 0 236.267 2.080 50 0 BEAARM O=C([O-])c1cccnc1SC(F)F ZINC000004206002 182584351 /nfs/dbraw/zinc/58/43/51/182584351.db2.gz LUIBZYAYEDRJQB-UHFFFAOYSA-N -1 0 205.185 2.095 50 0 BEAARM O=C([O-])c1cccc(Br)c1F ZINC000002567168 182576767 /nfs/dbraw/zinc/57/67/67/182576767.db2.gz UVKURTLVTLRSSM-UHFFFAOYSA-N -1 0 219.009 2.286 50 0 BEAARM O=C([O-])c1cccc2cc(CCO)ccc21 ZINC000085210458 182580445 /nfs/dbraw/zinc/58/04/45/182580445.db2.gz JHBPZMUJFQKDMK-UHFFFAOYSA-N -1 0 216.236 2.073 50 0 BEAARM O=C([O-])c1csc(COc2ccccc2)n1 ZINC000035715014 182593698 /nfs/dbraw/zinc/59/36/98/182593698.db2.gz LJOUWCZLNURASK-UHFFFAOYSA-N -1 0 235.264 2.420 50 0 BEAARM O=C([O-])c1nc2ccccc2nc1C1CC1 ZINC000084251978 182595513 /nfs/dbraw/zinc/59/55/13/182595513.db2.gz MEJKYRSNQQDUER-UHFFFAOYSA-N -1 0 214.224 2.205 50 0 BEAARM O=C([O-])c1nnc(-c2cccc(F)c2)s1 ZINC000083321632 182597597 /nfs/dbraw/zinc/59/75/97/182597597.db2.gz FNFVRVKYVVASCA-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM O=C([O-])c1sc(N2CCCC2)nc1Cl ZINC000038342374 182598794 /nfs/dbraw/zinc/59/87/94/182598794.db2.gz YJRIYDOSYHXLGZ-UHFFFAOYSA-N -1 0 232.692 2.095 50 0 BEAARM O=Cc1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000002548366 182865564 /nfs/dbraw/zinc/86/55/64/182865564.db2.gz HXYMSAUBDZGIRE-UHFFFAOYSA-N -1 0 227.219 2.259 50 0 BEAARM CCCN(C(C)=O)c1ccccc1C(=O)[O-] ZINC000016623868 169049381 /nfs/dbraw/zinc/04/93/81/169049381.db2.gz JSFHLWRPKREGPD-UHFFFAOYSA-N -1 0 221.256 2.148 50 0 BEAARM [O-]c1c(F)c(F)ccc1Br ZINC000072190258 183253251 /nfs/dbraw/zinc/25/32/51/183253251.db2.gz OGUIGADGRYKQTN-UHFFFAOYSA-N -1 0 208.989 2.433 50 0 BEAARM O=c1c2c([n-]n1-c1ccccc1)CCSC2 ZINC000100402823 183255396 /nfs/dbraw/zinc/25/53/96/183255396.db2.gz MASZAOSZWCGATM-UHFFFAOYSA-N -1 0 232.308 2.367 50 0 BEAARM [O-]c1cc(Br)cnc1Cl ZINC000014400912 183256363 /nfs/dbraw/zinc/25/63/63/183256363.db2.gz KVDIPLHFSIUSIK-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM [O-]c1cc(Cl)cnc1Br ZINC000021981892 183258763 /nfs/dbraw/zinc/25/87/63/183258763.db2.gz CXEWQBDKAZUKBB-UHFFFAOYSA-N -1 0 208.442 2.203 50 0 BEAARM [O-][n+]1cc(C(F)(F)F)cc(Cl)c1[S-] ZINC000167822920 183319152 /nfs/dbraw/zinc/31/91/52/183319152.db2.gz VOMMZVCAEWJXNA-UHFFFAOYSA-N -1 0 229.610 2.281 50 0 BEAARM CCCOc1cccc(CCC(=O)[O-])c1 ZINC000002272032 169323920 /nfs/dbraw/zinc/32/39/20/169323920.db2.gz NJYKLROGKDZZLI-UHFFFAOYSA-N -1 0 208.257 2.493 50 0 BEAARM CCCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000037010727 169328398 /nfs/dbraw/zinc/32/83/98/169328398.db2.gz LCECDDBNGUKNLV-UHFFFAOYSA-N -1 0 246.266 2.359 50 0 BEAARM CC(C)(C)OC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000001433132 166647443 /nfs/dbraw/zinc/64/74/43/166647443.db2.gz ZXFLMSIMHISJFV-UHFFFAOYSA-N -1 0 243.303 2.108 50 0 BEAARM CCC[C@](C)(NC(=O)[C@H](C)C(C)C)C(=O)[O-] ZINC000069684962 169548555 /nfs/dbraw/zinc/54/85/55/169548555.db2.gz XWRXDKMAQUKABW-SKDRFNHKSA-N -1 0 229.320 2.038 50 0 BEAARM CCCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000012896245 169572033 /nfs/dbraw/zinc/57/20/33/169572033.db2.gz FCAJUGBVJNATGI-NSHDSACASA-N -1 0 247.294 2.077 50 0 BEAARM O=C([O-])CCn1c2ccccc2oc1=S ZINC000000073723 383824870 /nfs/dbraw/zinc/82/48/70/383824870.db2.gz QUSAZJGKDUUSPZ-UHFFFAOYSA-N -1 0 223.253 2.438 50 0 biogenic BEAARM O=C([O-])Cc1ccccc1Br ZINC000000156302 383836982 /nfs/dbraw/zinc/83/69/82/383836982.db2.gz DWXSYDKEWORWBT-UHFFFAOYSA-N -1 0 215.046 2.076 50 0 BEAARM O=C([O-])CCSc1ccc(F)cc1 ZINC000000165623 383838746 /nfs/dbraw/zinc/83/87/46/383838746.db2.gz FDINPNNZXJHPKE-UHFFFAOYSA-N -1 0 200.234 2.393 50 0 BEAARM O=C([O-])CCc1cncc2ccccc21 ZINC000035569644 383859636 /nfs/dbraw/zinc/85/96/36/383859636.db2.gz GBMVAUNCJGWEQJ-UHFFFAOYSA-N -1 0 201.225 2.252 50 0 BEAARM Cc1n[n-]c(=S)n1-c1ccc2c(c1)OCCO2 ZINC000000128028 383831119 /nfs/dbraw/zinc/83/11/19/383831119.db2.gz JVRQEBIQFZUKNB-UHFFFAOYSA-N -1 0 249.295 2.010 50 0 BEAARM CCc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000138425 383832458 /nfs/dbraw/zinc/83/24/58/383832458.db2.gz OTYQAMRZSHKIGF-QWRGUYRKSA-N -1 0 237.324 2.037 50 0 BEAARM CCc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000138424 383833592 /nfs/dbraw/zinc/83/35/92/383833592.db2.gz OTYQAMRZSHKIGF-GHMZBOCLSA-N -1 0 237.324 2.037 50 0 BEAARM Cc1ccc(C(=O)CCC(=O)[O-])c(C)c1 ZINC000000155626 383835472 /nfs/dbraw/zinc/83/54/72/383835472.db2.gz JYLUOTCHTVZCDL-UHFFFAOYSA-N -1 0 206.241 2.351 50 0 BEAARM CC(C)(C)n1cnc2cc(C(=O)[O-])ccc21 ZINC000036780009 383910598 /nfs/dbraw/zinc/91/05/98/383910598.db2.gz FSOOAHYUSUSXLS-UHFFFAOYSA-N -1 0 218.256 2.490 50 0 BEAARM O=C([O-])C1CC(F)(c2cccc(F)c2)C1 ZINC000088611620 383918784 /nfs/dbraw/zinc/91/87/84/383918784.db2.gz MEFWWHBANNSXPS-UHFFFAOYSA-N -1 0 212.195 2.485 50 0 BEAARM O=C([O-])C1(Nc2ccccc2)CCCC1 ZINC000001683940 383923259 /nfs/dbraw/zinc/92/32/59/383923259.db2.gz IPZZQQGHTNKHNM-UHFFFAOYSA-N -1 0 205.257 2.496 50 0 BEAARM CCc1ccc2oc(C(=O)[O-])cc(=O)c2c1 ZINC000002573973 383978622 /nfs/dbraw/zinc/97/86/22/383978622.db2.gz IUJCKZLNEJLXBC-UHFFFAOYSA-N -1 0 218.208 2.054 50 0 BEAARM O=C([O-])CCc1ccc(Br)cc1 ZINC000002574309 383978812 /nfs/dbraw/zinc/97/88/12/383978812.db2.gz NCSTWHYWOVZDOC-UHFFFAOYSA-N -1 0 229.073 2.466 50 0 BEAARM O=C([O-])CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002736899 383986770 /nfs/dbraw/zinc/98/67/70/383986770.db2.gz AUVBTHXWDPUJMI-UHFFFAOYSA-N -1 0 245.637 2.282 50 0 BEAARM O=C([O-])c1c(C(F)(F)F)n[nH]c1C(F)(F)F ZINC000068577066 383999623 /nfs/dbraw/zinc/99/96/23/383999623.db2.gz FWWATELKMKWQKZ-UHFFFAOYSA-N -1 0 248.082 2.146 50 0 BEAARM Cc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000001845633 383937903 /nfs/dbraw/zinc/93/79/03/383937903.db2.gz MCWLCBLXRSXGTF-UHFFFAOYSA-N -1 0 206.241 2.433 50 0 BEAARM Cc1[n-][nH]c(=O)c1Sc1ccccc1N ZINC000071773258 383999908 /nfs/dbraw/zinc/99/99/08/383999908.db2.gz GSUBDSMAZLHRQF-UHFFFAOYSA-N -1 0 221.285 2.157 50 0 BEAARM Nc1cccc(-c2cccc(C(=O)[O-])c2)n1 ZINC000067894443 383957245 /nfs/dbraw/zinc/95/72/45/383957245.db2.gz XCLBOKQDBJURPT-UHFFFAOYSA-N -1 0 214.224 2.029 50 0 BEAARM O=C([O-])CCc1nc2c(cccc2Cl)[nH]1 ZINC000037443374 383977469 /nfs/dbraw/zinc/97/74/69/383977469.db2.gz KNPFNMWDLYTACJ-UHFFFAOYSA-N -1 0 224.647 2.234 50 0 BEAARM O=C([O-])Cc1ccc(Br)s1 ZINC000003750853 384025473 /nfs/dbraw/zinc/02/54/73/384025473.db2.gz HQIXXXJTRKTFIF-UHFFFAOYSA-N -1 0 221.075 2.138 50 0 BEAARM O=C([O-])CSc1nccn1Cc1ccccc1 ZINC000003876564 384031442 /nfs/dbraw/zinc/03/14/42/384031442.db2.gz FOPBUIMWVYSLMF-UHFFFAOYSA-N -1 0 248.307 2.108 50 0 BEAARM Cc1ccc(OCc2n[n-]c(=S)o2)cc1 ZINC000004902524 384087861 /nfs/dbraw/zinc/08/78/61/384087861.db2.gz IZDXNGYZLGKZJX-UHFFFAOYSA-N -1 0 222.269 2.246 50 0 BEAARM O=C([O-])CCCC(=O)Nc1cc(F)ccc1F ZINC000004321686 384056081 /nfs/dbraw/zinc/05/60/81/384056081.db2.gz BYLRZKWXZGRYDX-UHFFFAOYSA-N -1 0 243.209 2.158 50 0 BEAARM CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)[O-] ZINC000004492882 384063469 /nfs/dbraw/zinc/06/34/69/384063469.db2.gz ZNJFBWYDHIGLCU-CMIOBCHKSA-N -1 0 210.273 2.413 50 0 in-vitro BEAARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1Cl ZINC000004582651 384069115 /nfs/dbraw/zinc/06/91/15/384069115.db2.gz SNQFRXRWCMCJRX-PLNGDYQASA-N -1 0 239.658 2.228 50 0 BEAARM CC(C)(C)c1noc2ncc(C(=O)[O-])cc21 ZINC000038342091 384080082 /nfs/dbraw/zinc/08/00/82/384080082.db2.gz KFDBNPDVIQMHPC-UHFFFAOYSA-N -1 0 220.228 2.219 50 0 BEAARM O=C([O-])CCc1cc(F)c(F)c(F)c1 ZINC000039712920 384119056 /nfs/dbraw/zinc/11/90/56/384119056.db2.gz SJGZNFBPOANGAR-UHFFFAOYSA-N -1 0 204.147 2.121 50 0 BEAARM O=C([O-])C(F)(F)c1ncccc1C(F)(F)F ZINC000040447930 384151968 /nfs/dbraw/zinc/15/19/68/384151968.db2.gz OSXHWSBTALEFQU-UHFFFAOYSA-N -1 0 241.115 2.277 50 0 BEAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)c(C)c1 ZINC000005961480 384140076 /nfs/dbraw/zinc/14/00/76/384140076.db2.gz WTDGOGLHWOAHSL-WDEREUQCSA-N -1 0 237.324 2.092 50 0 BEAARM Cc1cc(C)c(C)c(O[C@H](C)C(=O)[O-])c1 ZINC000006008562 384142787 /nfs/dbraw/zinc/14/27/87/384142787.db2.gz PDFCYYKNRDWHTC-SNVBAGLBSA-N -1 0 208.257 2.464 50 0 BEAARM O=C([O-])C(O)(c1ccccc1)c1ccccc1 ZINC000006645452 384160168 /nfs/dbraw/zinc/16/01/68/384160168.db2.gz UKXSKSHDVLQNKG-UHFFFAOYSA-N -1 0 228.247 2.007 50 0 in-vitro BEAARM CC(C)c1nn(C)c(C(=O)[O-])c1Br ZINC000072324027 384207401 /nfs/dbraw/zinc/20/74/01/384207401.db2.gz KAYGVAOJLCKAEQ-UHFFFAOYSA-N -1 0 247.092 2.004 50 0 BEAARM COC(=O)c1cc(-c2ccccc2F)[nH]n1 ZINC000012395990 384315502 /nfs/dbraw/zinc/31/55/02/384315502.db2.gz FRQUGJQHNHIGBU-UHFFFAOYSA-N -1 0 220.203 2.002 50 0 BEAARM CCCCC[C@H](NC(=O)C1CC=CC1)C(=O)[O-] ZINC000097036364 384293775 /nfs/dbraw/zinc/29/37/75/384293775.db2.gz ONZXZIQHCQXEMM-NSHDSACASA-N -1 0 239.315 2.102 50 0 BEAARM O=C([O-])c1nc2[nH]ccc2cc1Br ZINC000044712754 384354979 /nfs/dbraw/zinc/35/49/79/384354979.db2.gz XLDHSOLQOJNDAZ-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM CCO[N-]C(=O)COc1cccc2ccccc21 ZINC000017821239 384417331 /nfs/dbraw/zinc/41/73/31/384417331.db2.gz CKFUFPLEPCISDJ-UHFFFAOYSA-N -1 0 245.278 2.286 50 0 BEAARM CCOc1cc2c(cc1C(=O)[O-])CCC2 ZINC000095470839 384378066 /nfs/dbraw/zinc/37/80/66/384378066.db2.gz RZBVEVOHPGNTAG-UHFFFAOYSA-N -1 0 206.241 2.272 50 0 BEAARM CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000060007090 384391016 /nfs/dbraw/zinc/39/10/16/384391016.db2.gz XLDQNKSCLODJJQ-IUCAKERBSA-N -1 0 243.303 2.107 50 0 BEAARM CCc1ccccc1C(=O)N(CC(=O)[O-])C(C)C ZINC000135271831 384430662 /nfs/dbraw/zinc/43/06/62/384430662.db2.gz AEEZMSSQSUNMPQ-UHFFFAOYSA-N -1 0 249.310 2.184 50 0 BEAARM CCC[C@@](C)(NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000097017862 384498869 /nfs/dbraw/zinc/49/88/69/384498869.db2.gz AIXZFYVWZLZFTF-BUUCAEBMSA-N -1 0 241.331 2.348 50 0 BEAARM O=C([O-])CSc1ncccc1Br ZINC000048759040 384505029 /nfs/dbraw/zinc/50/50/29/384505029.db2.gz DBQQXHHVZQIBAL-UHFFFAOYSA-N -1 0 248.101 2.021 50 0 BEAARM O=C([O-])CO[C@H]1CCCc2ccccc21 ZINC000019426943 384521925 /nfs/dbraw/zinc/52/19/25/384521925.db2.gz BYFHZBLEBSOMPZ-NSHDSACASA-N -1 0 206.241 2.165 50 0 BEAARM C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000019423812 384522692 /nfs/dbraw/zinc/52/26/92/384522692.db2.gz KHXCNDVMASKGJY-XPUUQOCRSA-N -1 0 237.230 2.118 50 0 BEAARM O=C([O-])CCc1ncc(-c2ccccc2)o1 ZINC000049538680 384544800 /nfs/dbraw/zinc/54/48/00/384544800.db2.gz GFVIYHMHRMUSLA-UHFFFAOYSA-N -1 0 217.224 2.359 50 0 BEAARM Cc1noc(C)c1-c1nc(C)c(C(=O)[O-])s1 ZINC000019763556 384538250 /nfs/dbraw/zinc/53/82/50/384538250.db2.gz YHOOWXFFWCUOMU-UHFFFAOYSA-N -1 0 238.268 2.422 50 0 BEAARM CCN(CCC(=O)[O-])c1ccccc1F ZINC000020133815 384580978 /nfs/dbraw/zinc/58/09/78/384580978.db2.gz ZGBMOROUMDVYBF-UHFFFAOYSA-N -1 0 211.236 2.127 50 0 BEAARM O=C([O-])CCCc1ccc(F)cc1F ZINC000020217144 384603349 /nfs/dbraw/zinc/60/33/49/384603349.db2.gz IFFOGNBDGRXWFK-UHFFFAOYSA-N -1 0 200.184 2.372 50 0 BEAARM O=C([O-])CCn1c2ccccc2nc1C1CC1 ZINC000020223126 384604080 /nfs/dbraw/zinc/60/40/80/384604080.db2.gz BTMHLWQENPVQMQ-UHFFFAOYSA-N -1 0 230.267 2.388 50 0 BEAARM Cc1nnc(SCCCCC(=O)[O-])s1 ZINC000020427294 384617307 /nfs/dbraw/zinc/61/73/07/384617307.db2.gz ZMRBFEIZFDJNDB-UHFFFAOYSA-N -1 0 232.330 2.194 50 0 BEAARM O=C([O-])c1ccc(CC(F)(F)F)cc1 ZINC000082927062 384725655 /nfs/dbraw/zinc/72/56/55/384725655.db2.gz VQFXVWBKGITFDC-UHFFFAOYSA-N -1 0 204.147 2.490 50 0 BEAARM O=C([O-])C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000082535256 384690656 /nfs/dbraw/zinc/69/06/56/384690656.db2.gz HPPDDWHMYRPDSI-JTQLQIEISA-N -1 0 216.240 2.016 50 0 BEAARM O=C([O-])C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000082535254 384691178 /nfs/dbraw/zinc/69/11/78/384691178.db2.gz HPPDDWHMYRPDSI-SNVBAGLBSA-N -1 0 216.240 2.016 50 0 BEAARM COC(=O)c1cc(=O)c2cc(F)cc(F)c2[n-]1 ZINC000021985647 384715320 /nfs/dbraw/zinc/71/53/20/384715320.db2.gz VNFFZRZFGCJZJY-UHFFFAOYSA-N -1 0 239.177 2.005 50 0 BEAARM O=C([O-])[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000052126548 384717903 /nfs/dbraw/zinc/71/79/03/384717903.db2.gz WVRLFWFGLWUZBD-WCQYABFASA-N -1 0 202.253 2.365 50 0 BEAARM COc1cc(F)c(C(=O)[O-])cc1Br ZINC000085221400 384929171 /nfs/dbraw/zinc/92/91/71/384929171.db2.gz DSLNYARFEZMGKA-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM O=C([O-])c1ncsc1Cc1ccccc1 ZINC000085389426 384942129 /nfs/dbraw/zinc/94/21/29/384942129.db2.gz HVKBEODEJZOBGK-UHFFFAOYSA-N -1 0 219.265 2.432 50 0 BEAARM Cc1c(F)c([N+](=O)[O-])cc(C(=O)[O-])c1Cl ZINC000038976859 385001764 /nfs/dbraw/zinc/00/17/64/385001764.db2.gz VXVDKJNGNAJVGQ-UHFFFAOYSA-N -1 0 233.582 2.394 50 0 BEAARM O=C([O-])c1c(Cl)nc(Cl)nc1Cl ZINC000059032878 385035330 /nfs/dbraw/zinc/03/53/30/385035330.db2.gz WYOSARQXNFQQIG-UHFFFAOYSA-N -1 0 227.434 2.135 50 0 BEAARM Cc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000021783178 385170190 /nfs/dbraw/zinc/17/01/90/385170190.db2.gz UEDXMRKTOKTYSH-LLVKDONJSA-N -1 0 248.282 2.076 50 0 BEAARM O=C([O-])c1c(F)ccc(Br)c1F ZINC000034305133 385276515 /nfs/dbraw/zinc/27/65/15/385276515.db2.gz WEBVJSPIUIPJKV-UHFFFAOYSA-N -1 0 236.999 2.426 50 0 BEAARM CC[C@H](CCC(=O)[O-])NC(=O)c1ccccc1 ZINC000002129495 385282786 /nfs/dbraw/zinc/28/27/86/385282786.db2.gz NEXUYXKGGLOADG-LLVKDONJSA-N -1 0 235.283 2.060 50 0 BEAARM CC[C@H](C)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020204641 385439684 /nfs/dbraw/zinc/43/96/84/385439684.db2.gz LJTGMRFXTVRJOY-QMMMGPOBSA-N -1 0 221.256 2.223 50 0 BEAARM O=C([O-])/C=C/C=C\c1ccc2c(c1)OCO2 ZINC000012410298 385641982 /nfs/dbraw/zinc/64/19/82/385641982.db2.gz RHBGITBPARBDPH-HSFFGMMNSA-N -1 0 218.208 2.069 50 0 endogenous,in-man BEAARM O=C([O-])[C@H](c1ccncc1)C1CCCC1 ZINC000082929764 385696625 /nfs/dbraw/zinc/69/66/25/385696625.db2.gz CMKNMANWVVJYCN-NSHDSACASA-N -1 0 205.257 2.440 50 0 BEAARM CC(C)[C@@](O)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000071777494 385880004 /nfs/dbraw/zinc/88/00/04/385880004.db2.gz UCQCXYRVWYZZJI-NSHDSACASA-N -1 0 228.675 2.268 50 0 BEAARM CC(C)(C)/C=C\C(=O)NC1(C(=O)[O-])CCCC1 ZINC000221905778 386026571 /nfs/dbraw/zinc/02/65/71/386026571.db2.gz SFLLUVMQCFSBEX-TWGQIWQCSA-N -1 0 239.315 2.102 50 0 BEAARM Cc1cn(CCCC(=O)[O-])nc1C(F)(F)F ZINC000223251872 386083294 /nfs/dbraw/zinc/08/32/94/386083294.db2.gz IKSOTMWHPNTJRU-UHFFFAOYSA-N -1 0 236.193 2.075 50 0 BEAARM O=C([O-])[C@@H](O)c1c(F)cc(Cl)cc1Cl ZINC000263622769 386157254 /nfs/dbraw/zinc/15/72/54/386157254.db2.gz ATUBYOGXAGUTAS-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1ccc(Cl)c(Cl)c1[C@@H](O)C(=O)[O-] ZINC000263623584 386157707 /nfs/dbraw/zinc/15/77/07/386157707.db2.gz ISYSKIKOLRTCEB-MRVPVSSYSA-N -1 0 235.066 2.420 50 0 BEAARM O=C([O-])[C@@H](O)c1c(F)ccc(Cl)c1Cl ZINC000263623970 386157919 /nfs/dbraw/zinc/15/79/19/386157919.db2.gz MGQIBPKRJHSKQL-ZETCQYMHSA-N -1 0 239.029 2.251 50 0 BEAARM Cc1c(Cl)c(Cl)ccc1[C@H](O)C(=O)[O-] ZINC000263624597 386158975 /nfs/dbraw/zinc/15/89/75/386158975.db2.gz RVJGLUQWJHXBLK-QMMMGPOBSA-N -1 0 235.066 2.420 50 0 BEAARM Cc1cc(C)c(C(=O)[O-])c(Br)c1O ZINC000004776273 387234448 /nfs/dbraw/zinc/23/44/48/387234448.db2.gz UJURUKHDVMRIPH-UHFFFAOYSA-N -1 0 245.072 2.470 50 0 BEAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])CCC1 ZINC000088048735 387287341 /nfs/dbraw/zinc/28/73/41/387287341.db2.gz KOFPSMGBISOSHU-UHFFFAOYSA-N -1 0 243.303 2.156 50 0 BEAARM O=C([O-])/C=C\c1nc2ccccc2s1 ZINC000045238139 387420246 /nfs/dbraw/zinc/42/02/46/387420246.db2.gz LLWKVCNWFMPGGM-WAYWQWQTSA-N -1 0 205.238 2.394 50 0 BEAARM CC[C@@H](C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000104266060 387477366 /nfs/dbraw/zinc/47/73/66/387477366.db2.gz NIJKJYRKKGTJCR-SNVBAGLBSA-N -1 0 249.310 2.090 50 0 BEAARM O=C([O-])c1cccc(C(=O)N[C@H]2CC=CCC2)c1 ZINC000088749718 387733390 /nfs/dbraw/zinc/73/33/90/387733390.db2.gz ZZSXDMIMZRXTCV-LBPRGKRZSA-N -1 0 245.278 2.223 50 0 BEAARM O=C([O-])c1cc(Br)c2cc[nH]c2n1 ZINC000044700214 387847292 /nfs/dbraw/zinc/84/72/92/387847292.db2.gz XWZXXGDRLJQJBA-UHFFFAOYSA-N -1 0 241.044 2.024 50 0 BEAARM Cc1ccnc(-c2ccc(C(=O)[O-])s2)n1 ZINC000032511715 388398364 /nfs/dbraw/zinc/39/83/64/388398364.db2.gz OAKLFLMPMDWPMR-UHFFFAOYSA-N -1 0 220.253 2.212 50 0 BEAARM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C1(C)C ZINC000114932217 388589992 /nfs/dbraw/zinc/58/99/92/388589992.db2.gz AOJXKOSBUVHAIA-JGVFFNPUSA-N -1 0 243.303 2.010 50 0 BEAARM COc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000096517728 388683693 /nfs/dbraw/zinc/68/36/93/388683693.db2.gz WKVLNVSHIOPYMM-UHFFFAOYSA-N -1 0 246.266 2.196 50 0 BEAARM CCc1c(C)sc2[nH]c(=O)cc([O-])c12 ZINC000057327506 388619982 /nfs/dbraw/zinc/61/99/82/388619982.db2.gz REWOYSFJWSXIHR-UHFFFAOYSA-N -1 0 209.270 2.166 50 0 BEAARM C[C@H]1CCc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000019273474 132324414 /nfs/dbraw/zinc/32/44/14/132324414.db2.gz IHIONGWXONRMDR-JTQLQIEISA-N -1 0 247.294 2.219 50 0 BEAARM CC1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000019844534 132327631 /nfs/dbraw/zinc/32/76/31/132327631.db2.gz CAXRGOWQZJYKEX-UHFFFAOYSA-N -1 0 220.272 2.016 50 0 BEAARM C[C@@H](CC(=O)[O-])N1CCCc2ccccc21 ZINC000035752079 132339131 /nfs/dbraw/zinc/33/91/31/132339131.db2.gz IJMJLAWKVGWSMG-JTQLQIEISA-N -1 0 219.284 2.302 50 0 BEAARM Cc1ncccc1NC1CCC(C(=O)[O-])CC1 ZINC000261561351 135202424 /nfs/dbraw/zinc/20/24/24/135202424.db2.gz VFDREWWXUKOYAP-UHFFFAOYSA-N -1 0 234.299 2.445 50 0 BEAARM Cc1nc2cc(C)c(C)cc2n1CC(=O)[O-] ZINC000004384480 397925404 /nfs/dbraw/zinc/92/54/04/397925404.db2.gz FROBVNDNVPFNRM-UHFFFAOYSA-N -1 0 218.256 2.046 50 0 BEAARM O=C([O-])CCn1ccnc1-c1ccccc1 ZINC000034929034 398017680 /nfs/dbraw/zinc/01/76/80/398017680.db2.gz ROVVEEAFNMULBJ-UHFFFAOYSA-N -1 0 216.240 2.025 50 0 BEAARM Cc1ccc(C(=O)c2ccn(CC(=O)[O-])c2)cc1 ZINC000013493071 398019473 /nfs/dbraw/zinc/01/94/73/398019473.db2.gz UNFOYTIUOMQIHH-UHFFFAOYSA-N -1 0 243.262 2.112 50 0 BEAARM CC[C@@H](C)n1ncc2cc(C(=O)[O-])cnc21 ZINC000022143403 397972774 /nfs/dbraw/zinc/97/27/74/397972774.db2.gz NHPDQPACTIHEGT-SSDOTTSWSA-N -1 0 219.244 2.101 50 0 BEAARM O=C([O-])c1cc(-c2ccc(F)cc2F)ncn1 ZINC000071546919 397975335 /nfs/dbraw/zinc/97/53/35/397975335.db2.gz UCSDZWHRNJQLJC-UHFFFAOYSA-N -1 0 236.177 2.120 50 0 BEAARM O=C([O-])c1ccc(-c2cncc(O)c2)cc1 ZINC000065339136 398083366 /nfs/dbraw/zinc/08/33/66/398083366.db2.gz NRHIOPUVWLLSIS-UHFFFAOYSA-N -1 0 215.208 2.152 50 0 BEAARM COc1cc(C)c(Br)c(C(=O)[O-])c1 ZINC000016697055 409661364 /nfs/dbraw/zinc/66/13/64/409661364.db2.gz OEHDWSKLTWRFOM-UHFFFAOYSA-N -1 0 245.072 2.464 50 0 BEAARM CC[C@H]1C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C ZINC000103515941 410900124 /nfs/dbraw/zinc/90/01/24/410900124.db2.gz YFTUMRAQSVSEGP-LLVKDONJSA-N -1 0 246.266 2.134 50 0 BEAARM CC(C)NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000057537680 167064263 /nfs/dbraw/zinc/06/42/63/167064263.db2.gz YBIIGQFNFKEDAM-LBPRGKRZSA-N -1 0 249.310 2.160 50 0 BEAARM CC(C)n1c2ccccc2nc1[C@H](O)CC(=O)[O-] ZINC000218596851 167740014 /nfs/dbraw/zinc/74/00/14/167740014.db2.gz VSSBZAZQBGIPRH-LLVKDONJSA-N -1 0 248.282 2.125 50 0 BEAARM Cc1cc(=O)n(Cc2ccccc2Cl)[n-]1 ZINC000003886223 168134571 /nfs/dbraw/zinc/13/45/71/168134571.db2.gz BKIIPXRIUNXZCC-UHFFFAOYSA-N -1 0 222.675 2.448 50 0 BEAARM CCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000071728035 168213125 /nfs/dbraw/zinc/21/31/25/168213125.db2.gz YJZHWAHHDUWLBR-LLVKDONJSA-N -1 0 249.310 2.146 50 0 BEAARM CCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004823089 168243510 /nfs/dbraw/zinc/24/35/10/168243510.db2.gz WROIVUCRBDYZPW-UHFFFAOYSA-N -1 0 227.647 2.387 50 0 BEAARM CCC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000005498034 168254954 /nfs/dbraw/zinc/25/49/54/168254954.db2.gz NZLKCRHSDZUCGA-UHFFFAOYSA-N -1 0 218.208 2.091 50 0 BEAARM CCN(C(=O)c1cccc(C)c1C)[C@@H](C)C(=O)[O-] ZINC000659773891 411452397 /nfs/dbraw/zinc/45/23/97/411452397.db2.gz VHBUBDRPGYOZSQ-NSHDSACASA-N -1 0 249.310 2.239 50 0 BEAARM CCOC(=O)C=C([O-])c1cc(F)c(F)c(F)c1 ZINC000043501787 170197469 /nfs/dbraw/zinc/19/74/69/170197469.db2.gz HDDANDASTDTXOU-UHFFFAOYSA-N -1 0 246.184 2.240 50 0 BEAARM CCOC(=O)C(C)=C([O-])c1cccs1 ZINC000015781679 170264173 /nfs/dbraw/zinc/26/41/73/170264173.db2.gz AXWZJOZJORQOKU-SSDOTTSWSA-N -1 0 212.270 2.130 50 0 BEAARM CCOc1cc(C(=O)[O-])nc2ccc(F)cc21 ZINC000036456963 170517632 /nfs/dbraw/zinc/51/76/32/170517632.db2.gz LYKMRHYNUIXZLT-UHFFFAOYSA-N -1 0 235.214 2.471 50 0 BEAARM CCOc1ccc(C(=O)CCC(=O)[O-])cc1C ZINC000004943451 170536245 /nfs/dbraw/zinc/53/62/45/170536245.db2.gz DSOGEBHLBXPYTC-UHFFFAOYSA-N -1 0 236.267 2.441 50 0 BEAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2)nc1 ZINC000000036061 411691582 /nfs/dbraw/zinc/69/15/82/411691582.db2.gz AHWLAXAHTWALJI-UHFFFAOYSA-N -1 0 248.307 2.191 50 0 BEAARM CC[C@@H](C(=O)[O-])[S@@](=O)c1ccc(C)cc1C ZINC000040956086 170670227 /nfs/dbraw/zinc/67/02/27/170670227.db2.gz IXWMFKMASUOWMS-QFYYESIMSA-N -1 0 240.324 2.274 50 0 BEAARM CC[C@@H](C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000002029111 170670252 /nfs/dbraw/zinc/67/02/52/170670252.db2.gz ACKKUPHTDWMADK-SECBINFHSA-N -1 0 224.256 2.282 50 0 BEAARM CC[C@@H](C)[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000004992098 170767425 /nfs/dbraw/zinc/76/74/25/170767425.db2.gz SDNDNHOVHJTJPB-SKDRFNHKSA-N -1 0 247.294 2.142 50 0 biogenic BEAARM CC[C@@](C)(NC(=O)CCC(C)(C)C)C(=O)[O-] ZINC000095424539 171172862 /nfs/dbraw/zinc/17/28/62/171172862.db2.gz GZSVDMANDQEQNY-GFCCVEGCSA-N -1 0 229.320 2.182 50 0 BEAARM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000097020126 171363820 /nfs/dbraw/zinc/36/38/20/171363820.db2.gz CULVGIKEFCRFHK-JGVFFNPUSA-N -1 0 239.271 2.142 50 0 BEAARM CCc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000009136325 171748454 /nfs/dbraw/zinc/74/84/54/171748454.db2.gz QQANCZCESMBXKA-UHFFFAOYSA-N -1 0 239.278 2.252 50 0 BEAARM CCc1ccccc1C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC000663125368 412387143 /nfs/dbraw/zinc/38/71/43/412387143.db2.gz QPMHMZZTTACXTL-JTQLQIEISA-N -1 0 249.310 2.184 50 0 BEAARM CCc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000138421 171845686 /nfs/dbraw/zinc/84/56/86/171845686.db2.gz OTYQAMRZSHKIGF-MNOVXSKESA-N -1 0 237.324 2.037 50 0 BEAARM CCc1ccccc1C(=O)N(CC)CCC(=O)[O-] ZINC000161703706 171871807 /nfs/dbraw/zinc/87/18/07/171871807.db2.gz KJDHRCAVPRNBGM-UHFFFAOYSA-N -1 0 249.310 2.186 50 0 BEAARM CCn1c(=O)c2cccc(C)c2[n-]c1=S ZINC000007044340 172133808 /nfs/dbraw/zinc/13/38/08/172133808.db2.gz XQRSBQLSNLHHNK-UHFFFAOYSA-N -1 0 220.297 2.387 50 0 BEAARM CCn1nc(-c2ccccc2)cc1C(=O)[O-] ZINC000009280232 172240618 /nfs/dbraw/zinc/24/06/18/172240618.db2.gz AYFOSEQQADVGLW-UHFFFAOYSA-N -1 0 216.240 2.268 50 0 BEAARM CCn1nc(C)c2c1ncc(C(=O)[O-])c2Cl ZINC000034485594 172249477 /nfs/dbraw/zinc/24/94/77/172249477.db2.gz NUAVNZSWEJMUDK-UHFFFAOYSA-N -1 0 239.662 2.111 50 0 BEAARM COC(=O)C=C([O-])c1c(Cl)cccc1OC ZINC000317089241 173522403 /nfs/dbraw/zinc/52/24/03/173522403.db2.gz DHIDQLARWPGKCH-UHFFFAOYSA-N -1 0 242.658 2.094 50 0 BEAARM COc1cc(C(=O)[O-])nc2c(C)cc(F)cc12 ZINC000070451514 174950712 /nfs/dbraw/zinc/95/07/12/174950712.db2.gz ISUWHMLYAJRUJF-UHFFFAOYSA-N -1 0 235.214 2.389 50 0 BEAARM COc1cc(Cl)c(C(=O)[O-])cc1OC ZINC000002571849 174988325 /nfs/dbraw/zinc/98/83/25/174988325.db2.gz CHMWIAHMSOASPM-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM COc1cc(Cl)ccc1C(=O)CCC(=O)[O-] ZINC000043214164 174989622 /nfs/dbraw/zinc/98/96/22/174989622.db2.gz WQZKXFVXISXWGB-UHFFFAOYSA-N -1 0 242.658 2.396 50 0 BEAARM COc1cc2c(cc1CCC(=O)[O-])CCC2 ZINC000004985971 175021939 /nfs/dbraw/zinc/02/19/39/175021939.db2.gz AXZXSKOCTDWZSX-UHFFFAOYSA-N -1 0 220.268 2.201 50 0 BEAARM COc1ccc(C(=O)[O-])c(Cl)c1OC ZINC000000132423 175064710 /nfs/dbraw/zinc/06/47/10/175064710.db2.gz YSEIYOHXERRMNN-UHFFFAOYSA-N -1 0 216.620 2.055 50 0 BEAARM COc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000002574413 175064975 /nfs/dbraw/zinc/06/49/75/175064975.db2.gz SRFOISVYVQZJQU-NEPJUHHUSA-N -1 0 248.278 2.379 50 0 BEAARM COc1ccc(C)cc1NCCCC(=O)[O-] ZINC000019408658 175078385 /nfs/dbraw/zinc/07/83/85/175078385.db2.gz YNIKYUHWSSWCMD-UHFFFAOYSA-N -1 0 223.272 2.280 50 0 BEAARM COc1ccc(CC(C)(C)C(=O)[O-])cc1 ZINC000041217195 175087065 /nfs/dbraw/zinc/08/70/65/175087065.db2.gz NYDAEBWSGUNHIF-UHFFFAOYSA-N -1 0 208.257 2.349 50 0 BEAARM COc1ccc(CSCC(=O)[O-])cc1C ZINC000000522943 175113952 /nfs/dbraw/zinc/11/39/52/175113952.db2.gz VGFYGDGYRAPNFH-UHFFFAOYSA-N -1 0 226.297 2.321 50 0 BEAARM COc1ccc(F)c(C(=O)[O-])c1Br ZINC000075852039 175124832 /nfs/dbraw/zinc/12/48/32/175124832.db2.gz SSMGTGKYPYIDGX-UHFFFAOYSA-N -1 0 249.035 2.295 50 0 BEAARM COc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000019687175 175175564 /nfs/dbraw/zinc/17/55/64/175175564.db2.gz KGMRFOXHSDWDKC-ZETCQYMHSA-N -1 0 212.270 2.260 50 0 BEAARM COc1cccc(-c2cc(C(=O)[O-])ccn2)c1 ZINC000041250955 175233590 /nfs/dbraw/zinc/23/35/90/175233590.db2.gz CVHWXPCBLBMQDT-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(-c2cncc(C(=O)[O-])c2)c1 ZINC000016946115 175235220 /nfs/dbraw/zinc/23/52/20/175235220.db2.gz ZHXBRJDPUURFHR-UHFFFAOYSA-N -1 0 229.235 2.455 50 0 BEAARM COc1cccc(-c2nc(CC(=O)[O-])cs2)c1 ZINC000002619162 175236078 /nfs/dbraw/zinc/23/60/78/175236078.db2.gz ONHLUKAWQAXVPL-UHFFFAOYSA-N -1 0 249.291 2.446 50 0 BEAARM COc1cccc(/C=C/C(=O)[O-])c1OC(F)F ZINC000004206890 175241021 /nfs/dbraw/zinc/24/10/21/175241021.db2.gz QFJVDKGNKHMEFX-AATRIKPKSA-N -1 0 244.193 2.394 50 0 BEAARM COc1cccc(C([O-])=CC(=O)C(F)F)c1 ZINC000100497213 175242882 /nfs/dbraw/zinc/24/28/82/175242882.db2.gz UZFAUAGBMNFLMX-UHFFFAOYSA-N -1 0 228.194 2.102 50 0 BEAARM COc1cccc(OC(F)(F)F)c1C(=O)[O-] ZINC000095611690 175280651 /nfs/dbraw/zinc/28/06/51/175280651.db2.gz ONXRZSWMXWCTRH-UHFFFAOYSA-N -1 0 236.145 2.292 50 0 BEAARM COc1cccc2c1N[C@H](C(=O)[O-])[C@@H]1C=CC[C@@H]21 ZINC000226535735 175304129 /nfs/dbraw/zinc/30/41/29/175304129.db2.gz OJDYITLUNFCOOS-PLMOITTCSA-N -1 0 245.278 2.234 50 0 BEAARM COc1cccc2c1ccn2CCC(=O)[O-] ZINC000040162798 175306363 /nfs/dbraw/zinc/30/63/63/175306363.db2.gz MFDAWRKZCUQUIH-UHFFFAOYSA-N -1 0 219.240 2.125 50 0 biogenic BEAARM COc1ccccc1-c1c[nH]cc1C(=O)[O-] ZINC000037245270 175308058 /nfs/dbraw/zinc/30/80/58/175308058.db2.gz AWCCFRDLSOOJMQ-UHFFFAOYSA-N -1 0 217.224 2.389 50 0 BEAARM COc1ccccc1-c1nocc1CCC(=O)[O-] ZINC000169676697 175312158 /nfs/dbraw/zinc/31/21/58/175312158.db2.gz JQNMWUJGPQBJNK-UHFFFAOYSA-N -1 0 247.250 2.367 50 0 BEAARM COc1ccccc1C1(C(=O)[O-])CCC1 ZINC000020429453 175319543 /nfs/dbraw/zinc/31/95/43/175319543.db2.gz FANXELKZLGBJPO-UHFFFAOYSA-N -1 0 206.241 2.202 50 0 BEAARM COc1cnc(SCc2ccccc2)[n-]c1=O ZINC000004002984 175382255 /nfs/dbraw/zinc/38/22/55/175382255.db2.gz SEEAWIRKRGQGHI-UHFFFAOYSA-N -1 0 248.307 2.483 50 0 BEAARM C[C@@H](C(=O)[O-])c1ccc(CC(C)(C)O)cc1 ZINC000022060707 175626831 /nfs/dbraw/zinc/62/68/31/175626831.db2.gz UJHKVYPPCJBOSG-SECBINFHSA-N -1 0 222.284 2.188 50 0 world BEAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000000155413 176004635 /nfs/dbraw/zinc/00/46/35/176004635.db2.gz YNTJKQDWYXUTLZ-ZCFIWIBFSA-N -1 0 200.621 2.192 50 0 BEAARM C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000006442669 176004772 /nfs/dbraw/zinc/00/47/72/176004772.db2.gz PKMQCFXRILFKFU-SECBINFHSA-N -1 0 220.268 2.417 50 0 BEAARM C[C@@H](Oc1cccc2c1CCCC2)C(=O)[O-] ZINC000013609398 176004946 /nfs/dbraw/zinc/00/49/46/176004946.db2.gz BYIZXCPIBNWEMR-SECBINFHSA-N -1 0 220.268 2.417 50 0 BEAARM C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000049815107 176546533 /nfs/dbraw/zinc/54/65/33/176546533.db2.gz BZIXVZCPWVTUKP-CPCISQLKSA-N -1 0 212.195 2.327 50 0 BEAARM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccccc1 ZINC000004690887 176601419 /nfs/dbraw/zinc/60/14/19/176601419.db2.gz IFZUSRLWTZPENL-WDEREUQCSA-N -1 0 249.310 2.365 50 0 BEAARM C[C@H](NC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000004201405 176819572 /nfs/dbraw/zinc/81/95/72/176819572.db2.gz XKPDGUIRFZFOCU-VIFPVBQESA-N -1 0 243.262 2.043 50 0 BEAARM C[C@H](Sc1ncnc2ccccc21)C(=O)[O-] ZINC000000034089 177029715 /nfs/dbraw/zinc/02/97/15/177029715.db2.gz UMMDOUOBKCUKSN-ZETCQYMHSA-N -1 0 234.280 2.195 50 0 BEAARM C[C@H]1C[C@@H](NC(=O)CCC(=O)[O-])CC(C)(C)C1 ZINC000001460397 177328494 /nfs/dbraw/zinc/32/84/94/177328494.db2.gz GJSNJHNTLVPVTH-VHSXEESVSA-N -1 0 241.331 2.182 50 0 BEAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)C(C)C ZINC000003445966 177506042 /nfs/dbraw/zinc/50/60/42/177506042.db2.gz IRXBKLCZUFUTBK-UHFFFAOYSA-N -1 0 209.245 2.168 50 0 BEAARM CCc1ccccc1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000161713138 487512422 /nfs/dbraw/zinc/51/24/22/487512422.db2.gz GEVSZHSHGPGDSK-LBPRGKRZSA-N -1 0 249.310 2.184 50 0 BEAARM CC[C@]1(C)C[C@@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000155894639 523584988 /nfs/dbraw/zinc/58/49/88/523584988.db2.gz MTVBEZNNVPJZFB-NOZJJQNGSA-N -1 0 241.331 2.182 50 0 BEAARM C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)[O-])[C@H]1C ZINC000239165022 524305166 /nfs/dbraw/zinc/30/51/66/524305166.db2.gz NIRDHFACMWVWAA-OUAUKWLOSA-N -1 0 241.331 2.182 50 0 BEAARM O=C([O-])CCCc1c(F)cccc1F ZINC000078782539 527588581 /nfs/dbraw/zinc/58/85/81/527588581.db2.gz XHPRQHISRGHFBW-UHFFFAOYSA-N -1 0 200.184 2.372 50 0 BEAARM O=C([O-])C[C@@H]1OCc2cc(Cl)ccc21 ZINC000141710877 527631266 /nfs/dbraw/zinc/63/12/66/527631266.db2.gz LYPABKILTVLNSU-VIFPVBQESA-N -1 0 212.632 2.386 50 0 BEAARM Cc1ccc(C(F)(F)F)cc1C(=O)C(=O)[O-] ZINC000713224331 582468196 /nfs/dbraw/zinc/46/81/96/582468196.db2.gz AVZXFNKWXAFIEZ-UHFFFAOYSA-N -1 0 232.157 2.281 50 0 BEAARM O=C([O-])C(=O)c1ccc(F)cc1C(F)(F)F ZINC000259553924 582842508 /nfs/dbraw/zinc/84/25/08/582842508.db2.gz UOTZUOLAZPEUSE-UHFFFAOYSA-N -1 0 236.120 2.112 50 0 BEAARM O=C([O-])c1ccc(NN=Cc2ccncc2)cc1 ZINC000013140232 582897422 /nfs/dbraw/zinc/89/74/22/582897422.db2.gz HHMMTQDSWWHWCL-UHFFFAOYSA-N -1 0 241.250 2.226 50 0 BEAARM O=C([O-])c1cccn2cc(C(F)(F)F)nc12 ZINC000071787924 592269224 /nfs/dbraw/zinc/26/92/24/592269224.db2.gz LSCPGFRSWFYTPL-UHFFFAOYSA-N -1 0 230.145 2.051 50 0 BEAARM CCc1ccc(NC(=O)/C(C)=C/C(=O)[O-])cc1 ZINC000045008467 640485645 /nfs/dbraw/zinc/48/56/45/640485645.db2.gz HBAQBIDLFGHHKV-CMDGGOBGSA-N -1 0 233.267 2.218 50 0 BEAARM O=C([O-])c1nc(-c2ccccc2F)ns1 ZINC000074013487 644158875 /nfs/dbraw/zinc/15/88/75/644158875.db2.gz DUFVIMPXXWHOJW-UHFFFAOYSA-N -1 0 224.216 2.042 50 0 BEAARM C/C=C(/C)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000097035788 644864842 /nfs/dbraw/zinc/86/48/42/644864842.db2.gz HYBNEVPLJVUBAF-GIGCTMKZSA-N -1 0 239.315 2.102 50 0 BEAARM